smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccccc2)CC1 ZINC000175875594 282097670 /nfs/dbraw/zinc/09/76/70/282097670.db2.gz HEGUZDZFGSTWEH-INIZCTEOSA-N 0 0 340.431 1.953 10 0 EDAERN O=C(c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1COCCO1 ZINC000055298206 214302737 /nfs/dbraw/zinc/30/27/37/214302737.db2.gz LBXPNAOZDCTCJH-NSHDSACASA-N 0 0 342.145 1.378 10 0 EDAERN Cc1c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cnn1C(C)(C)C ZINC000173841398 231049239 /nfs/dbraw/zinc/04/92/39/231049239.db2.gz XCZQURXQNNPWCG-BBRMVZONSA-N 0 0 334.464 1.739 10 0 EDAERN Cc1cc(N2CC[C@@H](N3CCOCC3)C2)nc(-c2ccncc2)n1 ZINC000173976156 231087429 /nfs/dbraw/zinc/08/74/29/231087429.db2.gz VCEMHFDHNMGOOW-MRXNPFEDSA-N 0 0 325.416 1.758 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000173983346 231089636 /nfs/dbraw/zinc/08/96/36/231089636.db2.gz YKTOEKHVTOAIHB-CYBMUJFWSA-N 0 0 341.814 1.824 10 0 EDAERN O=S(=O)(c1cccc2ncccc21)N1CCC[C@H](n2cncn2)C1 ZINC000173985172 231090465 /nfs/dbraw/zinc/09/04/65/231090465.db2.gz IHMNAMCZNKKOOX-ZDUSSCGKSA-N 0 0 343.412 1.852 10 0 EDAERN CC[C@@H](NC(=O)N1CC(NC(=O)COC)C1)c1nc(C)cs1 ZINC000185381790 529607875 /nfs/dbraw/zinc/60/78/75/529607875.db2.gz UVKUNUXZCGEFFX-LLVKDONJSA-N 0 0 326.422 1.059 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cncnc2N(C)C)cc1 ZINC000184427036 529704514 /nfs/dbraw/zinc/70/45/14/529704514.db2.gz DJFHFGUGRKKKFS-GFCCVEGCSA-N 0 0 341.415 1.921 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000179505256 529923507 /nfs/dbraw/zinc/92/35/07/529923507.db2.gz LTKNFUZASZPJTJ-XJKSGUPXSA-N 0 0 333.432 1.794 10 0 EDAERN Cc1noc(C)c1C(=O)N[C@@H]1[C@@H](c2ccccc2C)C[C@@H](O)[C@H]1O ZINC000072321743 282379211 /nfs/dbraw/zinc/37/92/11/282379211.db2.gz IUWZAJDZXBKICY-MUIFIZLQSA-N 0 0 330.384 1.608 10 0 EDAERN CN(CCn1cc(C(=O)N2CCCCC2)nn1)C(=O)C1CCCCC1 ZINC000012049437 201823671 /nfs/dbraw/zinc/82/36/71/201823671.db2.gz SQEVJZRUDSPTTC-UHFFFAOYSA-N 0 0 347.463 1.943 10 0 EDAERN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cnc2n(c1=O)CCS2 ZINC000190219827 295743550 /nfs/dbraw/zinc/74/35/50/295743550.db2.gz ZNLJBEIBMRCGMO-CYBMUJFWSA-N 0 0 343.408 1.862 10 0 EDAERN O=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)C1CC1 ZINC000013996671 201924213 /nfs/dbraw/zinc/92/42/13/201924213.db2.gz YGFHJSAATIZALJ-UHFFFAOYSA-N 0 0 333.413 1.382 10 0 EDAERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)NCc2ncnn2C)cc1 ZINC000095405669 539553165 /nfs/dbraw/zinc/55/31/65/539553165.db2.gz SXYMKBTVUONCEO-HOCLYGCPSA-N 0 0 329.404 1.843 10 0 EDAERN CO[C@H]1CCN(Cc2nc(C(=O)NCCc3c(C)noc3C)co2)C1 ZINC000685943892 539584210 /nfs/dbraw/zinc/58/42/10/539584210.db2.gz IDDQSHMEAIOQIX-ZDUSSCGKSA-N 0 0 348.403 1.473 10 0 EDAERN C[C@@H](C(=O)Nc1cccc(C(N)=O)c1)N1C(=O)c2ccccc2C1=O ZINC000015566160 201957922 /nfs/dbraw/zinc/95/79/22/201957922.db2.gz FWAGXPLFYMDJTF-JTQLQIEISA-N 0 0 337.335 1.409 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000245783203 539595855 /nfs/dbraw/zinc/59/58/55/539595855.db2.gz HTWSFQHJTXZPAO-KBPBESRZSA-N 0 0 348.509 1.350 10 0 EDAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NC[C@H](C)N1CCOCC1 ZINC000248477787 539688020 /nfs/dbraw/zinc/68/80/20/539688020.db2.gz PCCBFOAVYKKQJW-JYJNAYRXSA-N 0 0 327.469 1.600 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H](C)C2 ZINC000248601754 539690083 /nfs/dbraw/zinc/69/00/83/539690083.db2.gz UQEYDVGTXLKUIR-DAXOMENPSA-N 0 0 336.457 1.769 10 0 EDAERN CCN[C@](C)(C[C@H](C)SCCS(C)(=O)=O)C(=O)OCC ZINC000068643652 215325039 /nfs/dbraw/zinc/32/50/39/215325039.db2.gz QMHVGZSCEJZYSC-WCQYABFASA-N 0 0 325.496 1.474 10 0 EDAERN CCCCCc1nnc(NC(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000105283298 535145589 /nfs/dbraw/zinc/14/55/89/535145589.db2.gz RRLKKXMALBEKGO-LLVKDONJSA-N 0 0 327.454 1.723 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C[C@@H](O)C(F)(F)F)CC2)cn1 ZINC000158239883 539992652 /nfs/dbraw/zinc/99/26/52/539992652.db2.gz RETLVOZUEFSYID-CYBMUJFWSA-N 0 0 334.386 1.679 10 0 EDAERN CCN1CC(NC(=O)c2cc(Cl)c(N)cc2OC)CN1CC ZINC000019168101 202000153 /nfs/dbraw/zinc/00/01/53/202000153.db2.gz YFXIKEZOBJFVAQ-UHFFFAOYSA-N 0 0 326.828 1.602 10 0 in-man EDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000182860323 234792361 /nfs/dbraw/zinc/79/23/61/234792361.db2.gz JWCKFRXRKUKRBA-ZDUSSCGKSA-N 0 0 349.412 1.946 10 0 EDAERN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000186105353 540150645 /nfs/dbraw/zinc/15/06/45/540150645.db2.gz AHQYAKUZSOASFL-GXTWGEPZSA-N 0 0 349.435 1.389 10 0 EDAERN CCc1nnc(NC(=O)CN2C(=O)C(=O)c3cccc(C)c32)s1 ZINC000019995116 202029570 /nfs/dbraw/zinc/02/95/70/202029570.db2.gz UNFBIEMEEGVJMI-UHFFFAOYSA-N 0 0 330.369 1.577 10 0 EDAERN CCn1cc(Br)cc1C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000037844015 202047217 /nfs/dbraw/zinc/04/72/17/202047217.db2.gz ZGBDKSMJWVLRIP-LLVKDONJSA-N 0 0 342.237 1.963 10 0 EDAERN CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C(C(N)=O)=C(C)N2 ZINC000020804310 202054356 /nfs/dbraw/zinc/05/43/56/202054356.db2.gz YMJHBZJHPMAPCC-LBPRGKRZSA-N 0 0 331.401 1.870 10 0 EDAERN COCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1N ZINC000020843542 202056336 /nfs/dbraw/zinc/05/63/36/202056336.db2.gz RXGVKBNMKGVJCF-UHFFFAOYSA-N 0 0 329.332 1.147 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2coc3cc(C)c(C)cc23)C1 ZINC000185257502 235626836 /nfs/dbraw/zinc/62/68/36/235626836.db2.gz ITMDKVXAXDBGLP-UHFFFAOYSA-N 0 0 330.384 1.566 10 0 EDAERN Cc1nnc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)s1 ZINC000185437356 235666955 /nfs/dbraw/zinc/66/69/55/235666955.db2.gz MXHZATRSGBDPBN-UHFFFAOYSA-N 0 0 348.476 1.756 10 0 EDAERN COc1ccc(CN2CCOC[C@H]2C(N)=O)cc1Br ZINC000092230215 138287076 /nfs/dbraw/zinc/28/70/76/138287076.db2.gz NOKIMMHEZPBVQB-NSHDSACASA-N 0 0 329.194 1.144 10 0 EDAERN C[C@@H](CC(=O)N[C@H]1CCc2ncnn2C1)NC(=O)C1CCCCC1 ZINC000112646659 138309332 /nfs/dbraw/zinc/30/93/32/138309332.db2.gz NJUBEZIMTCLNOV-JSGCOSHPSA-N 0 0 333.436 1.184 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)CC2 ZINC000114976902 138311082 /nfs/dbraw/zinc/31/10/82/138311082.db2.gz QTMRWOCIXRIFIS-KBPBESRZSA-N 0 0 347.394 1.327 10 0 EDAERN CC(=O)c1cccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)c1 ZINC000028086459 202164349 /nfs/dbraw/zinc/16/43/49/202164349.db2.gz KTVSBNOAYQIBGL-UHFFFAOYSA-N 0 0 345.423 1.431 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc4c(c3)COC4)CCO2)[nH]1 ZINC000123934104 138322467 /nfs/dbraw/zinc/32/24/67/138322467.db2.gz FCXXOUZQQNOBCT-AWEZNQCLSA-N 0 0 329.360 1.749 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CCCN(CC(F)F)CC1 ZINC000130608345 138343286 /nfs/dbraw/zinc/34/32/86/138343286.db2.gz SWBXHMWCAXUCNU-GFCCVEGCSA-N 0 0 335.395 1.557 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cs1 ZINC000131829434 138366614 /nfs/dbraw/zinc/36/66/14/138366614.db2.gz WJISFKMIGQJWME-MNOVXSKESA-N 0 0 330.431 1.179 10 0 EDAERN COC(=O)c1ccccc1NC(=O)CN1CC(=O)Oc2ccccc21 ZINC000031834572 202210493 /nfs/dbraw/zinc/21/04/93/202210493.db2.gz RGXSIRPDHJKLPI-UHFFFAOYSA-N 0 0 340.335 1.837 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)Cc3ccc(O)cc3)CC2)nn1 ZINC000133665535 138396491 /nfs/dbraw/zinc/39/64/91/138396491.db2.gz WATCBCQZDSBEOM-UHFFFAOYSA-N 0 0 326.400 1.772 10 0 EDAERN NC(=O)Cn1ccnc1[C@@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000095530701 283297380 /nfs/dbraw/zinc/29/73/80/283297380.db2.gz QGTYXHZEFWUREO-LLVKDONJSA-N 0 0 325.376 1.024 10 0 EDAERN C[C@](O)(CCNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000187188324 236140919 /nfs/dbraw/zinc/14/09/19/236140919.db2.gz GDUYEWZIIBUYLD-PBHICJAKSA-N 0 0 329.404 1.190 10 0 EDAERN O=C(Cn1c(=O)cnc2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000125368442 138610521 /nfs/dbraw/zinc/61/05/21/138610521.db2.gz YTHOCSTUGVWXNY-UHFFFAOYSA-N 0 0 337.383 1.526 10 0 EDAERN Cc1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1-n1cncn1 ZINC000173786636 138674832 /nfs/dbraw/zinc/67/48/32/138674832.db2.gz WYQATYRIAZPEBG-OAHLLOKOSA-N 0 0 336.399 1.939 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000175041346 138690960 /nfs/dbraw/zinc/69/09/60/138690960.db2.gz ATPAARRTXMEUEG-MRXNPFEDSA-N 0 0 341.415 1.638 10 0 EDAERN COc1cccc(CN2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1 ZINC000034916834 202281622 /nfs/dbraw/zinc/28/16/22/202281622.db2.gz VZESBXFWZOQWAV-GDBMZVCRSA-N 0 0 332.400 1.339 10 0 EDAERN NC(=O)[C@H]1CCCN(CC(=O)c2ccc(Br)cc2)C1 ZINC000035036778 202285157 /nfs/dbraw/zinc/28/51/57/202285157.db2.gz KFYKEVILWSMQFN-NSHDSACASA-N 0 0 325.206 1.829 10 0 EDAERN Cc1cc(Br)ccc1NC(=O)CSC[C@H]([NH3+])C(=O)[O-] ZINC000035083045 202286590 /nfs/dbraw/zinc/28/65/90/202286590.db2.gz DWPJVUQJGGUJOL-VIFPVBQESA-N 0 0 347.234 1.841 10 0 EDAERN CCOC(=O)[C@@H](N)CCSCc1cc(=O)n2ccsc2n1 ZINC000069602360 202287658 /nfs/dbraw/zinc/28/76/58/202287658.db2.gz QDWGTMGVDRRPSA-JTQLQIEISA-N 0 0 327.431 1.270 10 0 EDAERN CC(C)[NH+]1CCC(NS(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000070157055 202309468 /nfs/dbraw/zinc/30/94/68/202309468.db2.gz LLUHKVIPIIJQIM-UHFFFAOYSA-N 0 0 332.447 1.597 10 0 EDAERN CCn1c(N)c(NCc2cc(Br)cs2)c(=O)[nH]c1=O ZINC000070213086 202318738 /nfs/dbraw/zinc/31/87/38/202318738.db2.gz DZYQOMCQRGVVLR-UHFFFAOYSA-N 0 0 345.222 1.575 10 0 EDAERN C[C@H](C(=O)c1ccc(Br)cc1)N1CCS(=O)(=O)CC1 ZINC000037339363 202339357 /nfs/dbraw/zinc/33/93/57/202339357.db2.gz HWTGFOYULGRSCJ-SNVBAGLBSA-N 0 0 346.246 1.751 10 0 EDAERN CCOC(=O)c1ncsc1Nc1ccc(S(N)(=O)=O)cc1 ZINC000071201553 202340251 /nfs/dbraw/zinc/34/02/51/202340251.db2.gz KJXJUSMTKAXPHR-UHFFFAOYSA-N 0 0 327.387 1.711 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnccc2Cl)C1 ZINC000071203476 202340519 /nfs/dbraw/zinc/34/05/19/202340519.db2.gz XCCKVVABNLJFFE-SNVBAGLBSA-N 0 0 332.809 1.699 10 0 EDAERN CCOc1cc(CO)cc(Br)c1O[C@H]1CCN(C)C1=O ZINC000071184414 202341325 /nfs/dbraw/zinc/34/13/25/202341325.db2.gz DGZWNHGOBRTQDQ-NSHDSACASA-N 0 0 344.205 1.950 10 0 EDAERN O=C1NCCN[C@@H]1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000071261894 202343779 /nfs/dbraw/zinc/34/37/79/202343779.db2.gz YTDZPAPUKYCMGF-SNVBAGLBSA-N 0 0 337.177 1.130 10 0 EDAERN O=S(=O)(NC[C@H](O)C1CC1)c1ccc2nc(Cl)ccc2c1 ZINC000071308207 202344778 /nfs/dbraw/zinc/34/47/78/202344778.db2.gz XIYDVTCAKSPDPE-ZDUSSCGKSA-N 0 0 326.805 1.937 10 0 EDAERN O=C1NCCN[C@@H]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000071302858 202346007 /nfs/dbraw/zinc/34/60/07/202346007.db2.gz WOKPQSPKWJYKJI-SSDOTTSWSA-N 0 0 343.206 1.191 10 0 EDAERN C[C@@H](NC(=O)c1cc(Br)cn1C1CC1)C(=O)N(C)C ZINC000037843998 202370751 /nfs/dbraw/zinc/37/07/51/202370751.db2.gz JWAJTXJAMFRLAE-MRVPVSSYSA-N 0 0 328.210 1.792 10 0 EDAERN C[C@@H](N[C@H]1CS(=O)(=O)C[C@@H]1O)c1cccc(Br)c1 ZINC000038012386 202385914 /nfs/dbraw/zinc/38/59/14/202385914.db2.gz LZAGGSKDUMZWAK-ZHAHWJHGSA-N 0 0 334.235 1.258 10 0 EDAERN Cc1c(Cl)cccc1S(=O)(=O)NCCn1ncccc1=O ZINC000038510292 202402308 /nfs/dbraw/zinc/40/23/08/202402308.db2.gz IWRDQWOPIXJCBO-UHFFFAOYSA-N 0 0 327.793 1.184 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000185242589 138803327 /nfs/dbraw/zinc/80/33/27/138803327.db2.gz MHCAFENUBCZLRB-UHFFFAOYSA-N 0 0 332.278 1.172 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnn(C)c1-n1cccc1)CC2 ZINC000114870024 201071311 /nfs/dbraw/zinc/07/13/11/201071311.db2.gz RLGPCKDMJSQSMX-GFCCVEGCSA-N 0 0 339.403 1.110 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1NC(=O)OC)CC2 ZINC000114865130 201071396 /nfs/dbraw/zinc/07/13/96/201071396.db2.gz BHRXXJDHJQOUSD-NSHDSACASA-N 0 0 343.387 1.764 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3ccnc3)nc1)CC2 ZINC000114861925 201071511 /nfs/dbraw/zinc/07/15/11/201071511.db2.gz IDQYRGSTRRRASJ-CYBMUJFWSA-N 0 0 337.387 1.166 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CCOC)CC(F)F)CC2 ZINC000114976800 201072673 /nfs/dbraw/zinc/07/26/73/201072673.db2.gz MDUGJFHUALXTMO-SNVBAGLBSA-N 0 0 331.367 1.078 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc2ncccc21 ZINC000113298443 201067771 /nfs/dbraw/zinc/06/77/71/201067771.db2.gz KBTHEBNMZIKAFO-LLVKDONJSA-N 0 0 329.385 1.120 10 0 EDAERN COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116354113 201075087 /nfs/dbraw/zinc/07/50/87/201075087.db2.gz KASIPAGIXZXWNB-ZDUSSCGKSA-N 0 0 342.417 1.546 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000118081698 201078659 /nfs/dbraw/zinc/07/86/59/201078659.db2.gz HPGOHLPSUJYFDS-INIZCTEOSA-N 0 0 341.415 1.464 10 0 EDAERN CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000135783128 201130527 /nfs/dbraw/zinc/13/05/27/201130527.db2.gz UXOBXQWHNMPFNU-HNNXBMFYSA-N 0 0 346.408 1.779 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)NC[C@H]3CCCC[C@H]3O)ccc2o1 ZINC000158337582 201158260 /nfs/dbraw/zinc/15/82/60/201158260.db2.gz YBJJJPBZCOQNNT-TZMCWYRMSA-N 0 0 337.397 1.622 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)ccc1C ZINC000187986820 138830464 /nfs/dbraw/zinc/83/04/64/138830464.db2.gz CBLATWWKZQNYLI-UHFFFAOYSA-N 0 0 329.400 1.233 10 0 EDAERN COCCN(C(=O)c1cncc(Br)c1)[C@@H](C)COC ZINC000042266416 202492689 /nfs/dbraw/zinc/49/26/89/202492689.db2.gz GIKPSZRJIQPVCC-JTQLQIEISA-N 0 0 331.210 1.968 10 0 EDAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1CCC(Cn2cccn2)CC1 ZINC000131956156 223286917 /nfs/dbraw/zinc/28/69/17/223286917.db2.gz GTEXLZPKXIXEFM-UHFFFAOYSA-N 0 0 338.367 1.319 10 0 EDAERN CCOC(=O)C(C=Nc1cc(N)nc(SC)n1)C(=O)OCC ZINC000001731920 201358732 /nfs/dbraw/zinc/35/87/32/201358732.db2.gz LPOCZNCNWDOCNI-UHFFFAOYSA-N 0 0 326.378 1.203 10 0 EDAERN OCc1sc(N2CCn3c(nnc3C(F)(F)F)C2)nc1Cl ZINC000149721864 201390097 /nfs/dbraw/zinc/39/00/97/201390097.db2.gz JXVWEQCGNFIMOU-UHFFFAOYSA-N 0 0 339.730 1.919 10 0 EDAERN C[C@@H]1OCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000161861351 201390734 /nfs/dbraw/zinc/39/07/34/201390734.db2.gz NUVOZOUWSNIMLE-KWQFWETISA-N 0 0 332.809 1.237 10 0 EDAERN CC(=O)N[C@H](CC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188538520 138844453 /nfs/dbraw/zinc/84/44/53/138844453.db2.gz OTNNHBNHYIZSAM-QGZVFWFLSA-N 0 0 343.427 1.381 10 0 EDAERN O=C(Cn1cccnc1=O)c1ccc(I)cc1 ZINC000048567748 202606780 /nfs/dbraw/zinc/60/67/80/202606780.db2.gz XRGCEKMZZYAVSX-UHFFFAOYSA-N 0 0 340.120 1.731 10 0 EDAERN CCn1nc(C)c(Br)c1CN1CCOC[C@H]1C(=O)OC ZINC000163556886 201417501 /nfs/dbraw/zinc/41/75/01/201417501.db2.gz FMFYTXFNHZREDP-NSHDSACASA-N 0 0 346.225 1.348 10 0 EDAERN C[C@H](C(=O)Nc1cc(Br)ccc1C(=O)[O-])C1C[NH2+]C1 ZINC000164360107 201420105 /nfs/dbraw/zinc/42/01/05/201420105.db2.gz FDUGBYMXJVLKPD-ZETCQYMHSA-N 0 0 327.178 1.941 10 0 EDAERN NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(F)cc2)cc1 ZINC000000008604 201423097 /nfs/dbraw/zinc/42/30/97/201423097.db2.gz GHHGHECKSJIOSV-UHFFFAOYSA-N 0 0 334.328 1.884 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162313058 283794648 /nfs/dbraw/zinc/79/46/48/283794648.db2.gz RYFSWPBGRDVPRN-IUODEOHRSA-N 0 0 340.445 1.954 10 0 EDAERN CCCn1nccc1NC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189385433 138870226 /nfs/dbraw/zinc/87/02/26/138870226.db2.gz VSLQNTXSJAGSPC-NWDGAFQWSA-N 0 0 334.380 1.978 10 0 EDAERN [NH3+][C@@H](CCC(=O)[O-])Cc1cc(Br)c2c(c1)OCCO2 ZINC000061893567 202791966 /nfs/dbraw/zinc/79/19/66/202791966.db2.gz GCZQZZJCOQDPJX-VIFPVBQESA-N 0 0 330.178 1.955 10 0 EDAERN Cc1ccc([C@@H]2C(=O)NCCN2S(=O)(=O)c2cccs2)cc1 ZINC000062123688 202794295 /nfs/dbraw/zinc/79/42/95/202794295.db2.gz DTSWQTVYPGACDJ-CQSZACIVSA-N 0 0 336.438 1.918 10 0 EDAERN O=C(NC1CCOCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 ZINC000062515721 202799483 /nfs/dbraw/zinc/79/94/83/202799483.db2.gz WMZNYSMEIAYFNC-MRXNPFEDSA-N 0 0 329.400 1.317 10 0 EDAERN O=C([C@H]1CCCN(c2nnc3c(Cl)cccn32)C1)N1CCOCC1 ZINC000065312748 202835307 /nfs/dbraw/zinc/83/53/07/202835307.db2.gz SPBUMVGSGLOJMX-LBPRGKRZSA-N 0 0 349.822 1.458 10 0 EDAERN Cc1ccc(Nc2ccn3c(nn(CC(=O)NC4CC4)c3=O)n2)cc1 ZINC000065308103 202835358 /nfs/dbraw/zinc/83/53/58/202835358.db2.gz CBXGAAXZSZZUBD-UHFFFAOYSA-N 0 0 338.371 1.222 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cccnc1OC1CCCC1 ZINC000191237282 138908446 /nfs/dbraw/zinc/90/84/46/138908446.db2.gz FJULETDATZGYTH-ZDUSSCGKSA-N 0 0 346.431 1.823 10 0 EDAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCC[C@H](n2cncn2)C1 ZINC000191269387 138909296 /nfs/dbraw/zinc/90/92/96/138909296.db2.gz YTLLSINLGFRDPE-DZGCQCFKSA-N 0 0 326.360 1.030 10 0 EDAERN NS(=O)(=O)CCSc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000070214051 203074180 /nfs/dbraw/zinc/07/41/80/203074180.db2.gz HOPMLFZZLPGISV-UHFFFAOYSA-N 0 0 349.377 1.361 10 0 EDAERN CC(C)N(C(=O)C1CN(S(=O)(=O)C2CC2)C1)C1CCCCC1 ZINC000070818064 203081791 /nfs/dbraw/zinc/08/17/91/203081791.db2.gz ZDCCNSPXVDQRRA-UHFFFAOYSA-N 0 0 328.478 1.980 10 0 EDAERN O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1cccc(Cl)c1 ZINC000070873278 203082921 /nfs/dbraw/zinc/08/29/21/203082921.db2.gz ABJXBTBRSQOTIJ-UHFFFAOYSA-N 0 0 329.747 1.721 10 0 EDAERN C[C@H](NC(=O)[C@H](C)n1nc(-n2cccn2)ccc1=O)c1ccccc1 ZINC000070874114 203082968 /nfs/dbraw/zinc/08/29/68/203082968.db2.gz SZDYHJFGPFCLAI-KBPBESRZSA-N 0 0 337.383 1.867 10 0 EDAERN Cc1nc2cc(Cl)ccn2c1C(=O)NCCCN1CCOCC1 ZINC000071476399 203099018 /nfs/dbraw/zinc/09/90/18/203099018.db2.gz SLWLPJFBVCEDHM-UHFFFAOYSA-N 0 0 336.823 1.748 10 0 EDAERN COC(=O)[C@@H](C)CN(CCCNC(C)=O)C(=O)C1CCCCC1 ZINC000071605287 203100111 /nfs/dbraw/zinc/10/01/11/203100111.db2.gz OOFXZOCKZGIMAW-ZDUSSCGKSA-N 0 0 326.437 1.731 10 0 EDAERN CCOC(=O)CCN(C(=O)COc1ccc(C)cc1)[C@@H](CC)CO ZINC000071626385 203101409 /nfs/dbraw/zinc/10/14/09/203101409.db2.gz BLKKOWNEAQXQNF-HNNXBMFYSA-N 0 0 337.416 1.927 10 0 EDAERN COC(=O)[C@H](C)CN(CCNC(C)=O)C(=O)c1ccc(F)c(F)c1 ZINC000071639580 203102509 /nfs/dbraw/zinc/10/25/09/203102509.db2.gz MNNWEXAPXQDFPK-SNVBAGLBSA-N 0 0 342.342 1.352 10 0 EDAERN [NH3+]CCCCCc1nc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000071695047 203103586 /nfs/dbraw/zinc/10/35/86/203103586.db2.gz ZMNAVUWIVJKXBE-GFCCVEGCSA-N 0 0 339.461 1.680 10 0 EDAERN CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N2CC[C@H](O)C2)C1 ZINC000071738860 203105166 /nfs/dbraw/zinc/10/51/66/203105166.db2.gz HMRONLQUGKFXJS-AWEZNQCLSA-N 0 0 339.399 1.014 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CS(=O)(=O)C(C)(C)C)CCO2)cn1 ZINC000191779410 138923857 /nfs/dbraw/zinc/92/38/57/138923857.db2.gz JBKTVNPEMQDCHR-ZDUSSCGKSA-N 0 0 343.449 1.016 10 0 EDAERN Cc1c2c(cc(=O)n1CC[NH+](C)C)[n-]n(-c1cccc(F)c1)c2=O ZINC000072446025 203225277 /nfs/dbraw/zinc/22/52/77/203225277.db2.gz FAOKVNZWYXQFHQ-UHFFFAOYSA-N 0 0 330.363 1.490 10 0 EDAERN Cc1ccc2[nH]cc(CCn3cnc4c(nnc5ccnn54)c3=O)c2c1 ZINC000072449717 203226546 /nfs/dbraw/zinc/22/65/46/203226546.db2.gz KOWPRAZAJRPQQA-UHFFFAOYSA-N 0 0 345.366 1.867 10 0 EDAERN COC(=O)Cc1nn(-c2ccc(OC)cc2)c2c1nnc1ccnn12 ZINC000072461547 203227773 /nfs/dbraw/zinc/22/77/73/203227773.db2.gz IHQYQRTYHBHLCJ-UHFFFAOYSA-N 0 0 338.327 1.187 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000192458781 138944549 /nfs/dbraw/zinc/94/45/49/138944549.db2.gz VCOJZOFKVIUTOU-DGCLKSJQSA-N 0 0 346.305 1.183 10 0 EDAERN O=C([C@H]1CSCCC(=O)N1)N1CCN(c2ccc(F)cc2)CC1 ZINC000075171091 203309210 /nfs/dbraw/zinc/30/92/10/203309210.db2.gz OJIZTQZPFVOIBS-CQSZACIVSA-N 0 0 337.420 1.096 10 0 EDAERN C[C@H](NC(=O)N[C@H]1C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000076075923 203335117 /nfs/dbraw/zinc/33/51/17/203335117.db2.gz MFOYJGHFVAUALZ-SUNKGSAMSA-N 0 0 325.434 1.706 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cccc1C(=O)N1CCCC1 ZINC000076098038 203339010 /nfs/dbraw/zinc/33/90/10/203339010.db2.gz RKLVTYCUQUSSQI-XHDPSFHLSA-N 0 0 329.400 1.694 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000076364580 203350237 /nfs/dbraw/zinc/35/02/37/203350237.db2.gz OHHSUUAMBHTVCK-HUUCEWRRSA-N 0 0 339.457 1.670 10 0 EDAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)ccc1N(C)C ZINC000077938282 203407438 /nfs/dbraw/zinc/40/74/38/203407438.db2.gz ISWWJMBRDFWMKW-CZUORRHYSA-N 0 0 333.432 1.667 10 0 EDAERN Cc1ccn2c(c1)ncc(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c2=O ZINC000081453074 203480800 /nfs/dbraw/zinc/48/08/00/203480800.db2.gz RHSDEMPCWOIGBL-GFCCVEGCSA-N 0 0 345.399 1.805 10 0 EDAERN O=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000081496837 203481275 /nfs/dbraw/zinc/48/12/75/203481275.db2.gz GNHDZYUQKQSDRN-GDBMZVCRSA-N 0 0 329.404 1.618 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1C ZINC000194647344 138997675 /nfs/dbraw/zinc/99/76/75/138997675.db2.gz MADZDPSYFHDHIA-KRWDZBQOSA-N 0 0 341.371 1.107 10 0 EDAERN O=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@H]12)c1ccncc1 ZINC000096040660 203800686 /nfs/dbraw/zinc/80/06/86/203800686.db2.gz VFVUQEYNFHKZIK-XHSDSOJGSA-N 0 0 339.399 1.285 10 0 EDAERN CCS(=O)(=O)N1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042625 203802122 /nfs/dbraw/zinc/80/21/22/203802122.db2.gz OUCGPPYIBYRQPE-UPJWGTAASA-N 0 0 330.381 1.181 10 0 EDAERN CS(=O)(=O)c1cccc(C(=O)NCC2(CO)CCCCC2)c1 ZINC000041114677 204004153 /nfs/dbraw/zinc/00/41/53/204004153.db2.gz GECMSWGIVZJVSP-UHFFFAOYSA-N 0 0 325.430 1.763 10 0 EDAERN Nc1cc(Cl)ccc1-c1nnnn1C1CCS(=O)(=O)CC1 ZINC000042028870 204059884 /nfs/dbraw/zinc/05/98/84/204059884.db2.gz LVATWPRPESFJBM-UHFFFAOYSA-N 0 0 327.797 1.325 10 0 EDAERN COC(=O)c1cc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c(C)s1 ZINC000151840802 204114758 /nfs/dbraw/zinc/11/47/58/204114758.db2.gz JPAPOHXQWPQYQB-LBPRGKRZSA-N 0 0 336.417 1.843 10 0 EDAERN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000104787689 204120674 /nfs/dbraw/zinc/12/06/74/204120674.db2.gz AQIAAHHGEZNAGU-HNNXBMFYSA-N 0 0 335.452 1.058 10 0 EDAERN C[C@H](Oc1ccccc1I)C(=O)NC(N)=O ZINC000042418394 204092596 /nfs/dbraw/zinc/09/25/96/204092596.db2.gz FJJOBJAPUFHAHG-LURJTMIESA-N 0 0 334.113 1.253 10 0 EDAERN Cc1c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)oc2c1C(=O)CCC2 ZINC000173958006 291514773 /nfs/dbraw/zinc/51/47/73/291514773.db2.gz SKRVVZIZDIYDLU-TZMCWYRMSA-N 0 0 346.427 1.900 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)nn1 ZINC000105800768 204161200 /nfs/dbraw/zinc/16/12/00/204161200.db2.gz IUDFCTFRXUNOJK-DOTOQJQBSA-N 0 0 345.491 1.992 10 0 EDAERN C[C@H](C(=O)Nc1ncccn1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806730 204162065 /nfs/dbraw/zinc/16/20/65/204162065.db2.gz QGNGTTPZSGBSKJ-CYBMUJFWSA-N 0 0 341.419 1.194 10 0 EDAERN O=C(Nc1ccc(N2CCOCC2)cn1)N[C@H]1CCCn2ncnc21 ZINC000194869859 139001593 /nfs/dbraw/zinc/00/15/93/139001593.db2.gz BBCADYFHUGPOGT-ZDUSSCGKSA-N 0 0 343.391 1.166 10 0 EDAERN C[C@H]1CCCN(C(=O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000105820444 204164339 /nfs/dbraw/zinc/16/43/39/204164339.db2.gz OUVIXYWQYHIIHO-PKOBYXMFSA-N 0 0 345.487 1.596 10 0 EDAERN COC(=O)c1cccc(C(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000105815005 204165087 /nfs/dbraw/zinc/16/50/87/204165087.db2.gz GEZWEQVOKSDJPE-UHFFFAOYSA-N 0 0 340.383 1.980 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C[C@@H]1C ZINC000105833050 204166582 /nfs/dbraw/zinc/16/65/82/204166582.db2.gz CYFOSXCCBXFCPS-GJZGRUSLSA-N 0 0 337.439 1.483 10 0 EDAERN COCCN1CCN(CC(=O)N2CCSc3ccccc32)C[C@@H]1C ZINC000105832498 204166996 /nfs/dbraw/zinc/16/69/96/204166996.db2.gz CLGVEMVFPCMFDV-HNNXBMFYSA-N 0 0 349.500 1.778 10 0 EDAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(N)cc1Cl ZINC000042712067 204140614 /nfs/dbraw/zinc/14/06/14/204140614.db2.gz YURMUSCBLDUYRO-LLVKDONJSA-N 0 0 332.809 1.638 10 0 EDAERN Cn1ncc(C(=O)N2CCC[C@H](n3cncn3)C2)c1-n1cccc1 ZINC000105854117 204170975 /nfs/dbraw/zinc/17/09/75/204170975.db2.gz XMDNQCPLNRVMKP-ZDUSSCGKSA-N 0 0 325.376 1.280 10 0 EDAERN Cn1ncc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1-n1cccc1 ZINC000105854123 204171133 /nfs/dbraw/zinc/17/11/33/204171133.db2.gz XMDNQCPLNRVMKP-CYBMUJFWSA-N 0 0 325.376 1.280 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CCn3c(C)csc3=O)C2)c1 ZINC000105858080 204171507 /nfs/dbraw/zinc/17/15/07/204171507.db2.gz AKNWFBRSIBVFJN-CQSZACIVSA-N 0 0 334.445 1.977 10 0 EDAERN CCCNC(=O)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874476 204174674 /nfs/dbraw/zinc/17/46/74/204174674.db2.gz AJDUJCWJTDIRBB-AWEZNQCLSA-N 0 0 325.478 1.579 10 0 EDAERN COc1ccccc1CN(C)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000105898249 204178470 /nfs/dbraw/zinc/17/84/70/204178470.db2.gz YIYVTBDINDWUDH-MRXNPFEDSA-N 0 0 343.431 1.582 10 0 EDAERN c1cnn(C[C@H]2CN(Cc3noc(-c4ccsc4)n3)CCO2)c1 ZINC000105920857 204179861 /nfs/dbraw/zinc/17/98/61/204179861.db2.gz BAESIIHCPPCUSX-CYBMUJFWSA-N 0 0 331.401 1.896 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 ZINC000106394060 204193696 /nfs/dbraw/zinc/19/36/96/204193696.db2.gz UQQGSSYSHPDQGD-MRXNPFEDSA-N 0 0 343.431 1.104 10 0 EDAERN CN1CCCC[C@H]1CNS(=O)(=O)c1cccc(C(N)=S)c1 ZINC000044564731 204304052 /nfs/dbraw/zinc/30/40/52/204304052.db2.gz GVKJCFGFXKOINC-LBPRGKRZSA-N 0 0 327.475 1.083 10 0 EDAERN COCCn1nc(C(=O)N[C@H]2CCCc3cc(F)ccc32)ccc1=O ZINC000119776049 204304343 /nfs/dbraw/zinc/30/43/43/204304343.db2.gz CENSKMKSZFKNJU-HNNXBMFYSA-N 0 0 345.374 1.836 10 0 EDAERN C[C@]1(n2nnnc2-c2ccc(Cl)cc2N)CCS(=O)(=O)C1 ZINC000044932294 204311538 /nfs/dbraw/zinc/31/15/38/204311538.db2.gz NUAPRQPBFDIQOM-LBPRGKRZSA-N 0 0 327.797 1.109 10 0 EDAERN CO[C@H](C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1)c1ccccc1 ZINC000110892697 204325713 /nfs/dbraw/zinc/32/57/13/204325713.db2.gz SKXZCBWUJHWRDX-CJNGLKHVSA-N 0 0 344.415 1.971 10 0 EDAERN CC(C)CCC(=O)NCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110876862 204325826 /nfs/dbraw/zinc/32/58/26/204325826.db2.gz MXRIKOYXYLYAMY-LBPRGKRZSA-N 0 0 325.434 1.595 10 0 EDAERN O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000110883647 204325856 /nfs/dbraw/zinc/32/58/56/204325856.db2.gz NISNIPRSUVQTCA-CQSZACIVSA-N 0 0 341.396 1.938 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 ZINC000110903982 204327719 /nfs/dbraw/zinc/32/77/19/204327719.db2.gz WWFBEBRODRVKPC-INIZCTEOSA-N 0 0 346.431 1.965 10 0 EDAERN O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111076597 204334715 /nfs/dbraw/zinc/33/47/15/204334715.db2.gz UTGVBTHNECZAMU-QGZVFWFLSA-N 0 0 337.383 1.610 10 0 EDAERN O=C(c1cc(F)c(F)c(F)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111078969 204334719 /nfs/dbraw/zinc/33/47/19/204334719.db2.gz WIYHSROBLXUKNQ-NSHDSACASA-N 0 0 325.290 1.842 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCO[C@@H](c2nccs2)C1 ZINC000111343600 204351747 /nfs/dbraw/zinc/35/17/47/204351747.db2.gz XWVSYQDUURURKR-SNVBAGLBSA-N 0 0 345.833 1.954 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000112649281 204408977 /nfs/dbraw/zinc/40/89/77/204408977.db2.gz KYRDGUKWUJMNNP-GFCCVEGCSA-N 0 0 326.335 1.552 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3)CCO2)c1 ZINC000112064567 204381259 /nfs/dbraw/zinc/38/12/59/204381259.db2.gz LBTYWEUNLDUBQU-WBVHZDCISA-N 0 0 329.400 1.886 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)Nc3ccn(C)n3)CC2)n1 ZINC000112126722 204384168 /nfs/dbraw/zinc/38/41/68/204384168.db2.gz CMLCTEHLLRFPMI-NSHDSACASA-N 0 0 333.396 1.276 10 0 EDAERN Cn1c(CN2CCNC(=O)C[C@H]2c2ccccc2)nnc1C1CC1 ZINC000195099193 139007026 /nfs/dbraw/zinc/00/70/26/139007026.db2.gz WBLHSAQVYMXLKK-HNNXBMFYSA-N 0 0 325.416 1.756 10 0 EDAERN CCN1CCN(CC(=O)c2cc(Cl)sc2Cl)C(=O)C1=O ZINC000050127124 204518878 /nfs/dbraw/zinc/51/88/78/204518878.db2.gz JODRXWZXPDVAMJ-UHFFFAOYSA-N 0 0 335.212 1.928 10 0 EDAERN NC(=O)c1cc(C(=O)N[C@H]2COc3ccccc32)nn1-c1ccccc1 ZINC000110258701 220026440 /nfs/dbraw/zinc/02/64/40/220026440.db2.gz FRIZAJXZHPHMAG-HNNXBMFYSA-N 0 0 348.362 1.835 10 0 EDAERN COc1cc(CO)cc(Cl)c1OCC(=O)NCC(F)(F)F ZINC000049310108 214000536 /nfs/dbraw/zinc/00/05/36/214000536.db2.gz KTPYFJXDLJWKMO-UHFFFAOYSA-N 0 0 327.686 1.898 10 0 EDAERN CCOC(=O)[C@@H](C)NCC(=O)Nc1cccc(Br)c1 ZINC000049372525 214002424 /nfs/dbraw/zinc/00/24/24/214002424.db2.gz XULYHENKCGDRNQ-SECBINFHSA-N 0 0 329.194 1.929 10 0 EDAERN Cc1nc(C[C@H]2CCCN(CC(=O)NC(=O)NC(C)(C)C)C2)no1 ZINC000195517667 139019254 /nfs/dbraw/zinc/01/92/54/139019254.db2.gz KUBMQUWZBNPCNB-GFCCVEGCSA-N 0 0 337.424 1.257 10 0 EDAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000119419317 204654799 /nfs/dbraw/zinc/65/47/99/204654799.db2.gz GUUYWELWUSXTIJ-UHFFFAOYSA-N 0 0 330.363 1.904 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OC)c2ncccc12 ZINC000123217107 204908313 /nfs/dbraw/zinc/90/83/13/204908313.db2.gz NPHBFJIRKGVARP-ZDUSSCGKSA-N 0 0 328.372 1.986 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C(C)C)nn1C ZINC000155463452 205015166 /nfs/dbraw/zinc/01/51/66/205015166.db2.gz UEZYTVLYUYCVJS-NSHDSACASA-N 0 0 332.408 1.546 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000125644083 205018021 /nfs/dbraw/zinc/01/80/21/205018021.db2.gz XJJGDKRHCDMQSA-WBVHZDCISA-N 0 0 335.423 1.730 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC2 ZINC000155767553 205037124 /nfs/dbraw/zinc/03/71/24/205037124.db2.gz MMVVSNVXSNSGIH-NSHDSACASA-N 0 0 342.465 1.046 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126634233 205064787 /nfs/dbraw/zinc/06/47/87/205064787.db2.gz RKKMHOFKQMDOLT-ZIAGYGMSSA-N 0 0 337.424 1.287 10 0 EDAERN CN(C)C(=O)c1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000126615435 205065201 /nfs/dbraw/zinc/06/52/01/205065201.db2.gz CYZWZOGEMDDNHG-CQSZACIVSA-N 0 0 341.415 1.532 10 0 EDAERN Cc1ccc(N2CCCC2)c(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000128029575 205129179 /nfs/dbraw/zinc/12/91/79/205129179.db2.gz MBLGSKRTSNQMSZ-MRXNPFEDSA-N 0 0 347.459 1.018 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3cnc4nc(C)cc(C)n34)CCO2)[nH]1 ZINC000156708333 205116102 /nfs/dbraw/zinc/11/61/02/205116102.db2.gz ICRZHHLUJMVHCZ-CQSZACIVSA-N 0 0 341.419 1.600 10 0 EDAERN O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000127884003 205121994 /nfs/dbraw/zinc/12/19/94/205121994.db2.gz VAFSGGBGUSZQOP-BBRMVZONSA-N 0 0 342.399 1.478 10 0 EDAERN NC(=O)c1ccc(CNC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000156592924 205099952 /nfs/dbraw/zinc/09/99/52/205099952.db2.gz DRKUQIKQGMRXML-UHFFFAOYSA-N 0 0 327.388 1.598 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(O)c1)CC2 ZINC000157256454 205182767 /nfs/dbraw/zinc/18/27/67/205182767.db2.gz QPFAHUYMPRDNAP-ZDUSSCGKSA-N 0 0 329.404 1.921 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000130287894 205232790 /nfs/dbraw/zinc/23/27/90/205232790.db2.gz HZRBKSCADXZVOO-GFCCVEGCSA-N 0 0 326.343 1.375 10 0 EDAERN CS(=O)(=O)C[C@@H](O)Cc1cc(Br)cc2c1OCC2 ZINC000157691858 205239100 /nfs/dbraw/zinc/23/91/00/205239100.db2.gz WGFFCOYCUOFMOZ-NSHDSACASA-N 0 0 335.219 1.332 10 0 EDAERN [NH3+][C@H](Cc1cn(Cc2csc(Br)c2)nn1)C(=O)[O-] ZINC000157744665 205249246 /nfs/dbraw/zinc/24/92/46/205249246.db2.gz TUIVSDXDBCTYQZ-MRVPVSSYSA-N 0 0 331.195 1.105 10 0 EDAERN COCCN(C)S(=O)(=O)c1cc(N)c(Br)cc1F ZINC000157843878 205263876 /nfs/dbraw/zinc/26/38/76/205263876.db2.gz LHSGUUQTWXBJAS-UHFFFAOYSA-N 0 0 341.202 1.437 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)cn1 ZINC000130907492 205264048 /nfs/dbraw/zinc/26/40/48/205264048.db2.gz DFOUWPRXDNGAGI-CQSZACIVSA-N 0 0 330.392 1.038 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000131243726 205279306 /nfs/dbraw/zinc/27/93/06/205279306.db2.gz SUCPGMMOILZRBC-UHFFFAOYSA-N 0 0 344.419 1.309 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2ccc(Cl)cc2n1 ZINC000132345237 205321888 /nfs/dbraw/zinc/32/18/88/205321888.db2.gz VCGYQLPULDPDIP-CQSZACIVSA-N 0 0 349.818 1.311 10 0 EDAERN COCCn1c(CO)nnc1-c1ccc(Br)cc1F ZINC000136215084 205495427 /nfs/dbraw/zinc/49/54/27/205495427.db2.gz CAJCHBXJAQEZEQ-UHFFFAOYSA-N 0 0 330.157 1.985 10 0 EDAERN CC(=O)Nc1nc2ccc(NC(=O)[C@@H]3CN(C)CCO3)cc2s1 ZINC000081000115 217348654 /nfs/dbraw/zinc/34/86/54/217348654.db2.gz ILRCRFUTLBTSIM-LBPRGKRZSA-N 0 0 334.401 1.524 10 0 EDAERN CCCC(=O)N[C@H]1CCCN([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000245201360 139071155 /nfs/dbraw/zinc/07/11/55/139071155.db2.gz QBPZGMCFSOEPFS-KGLIPLIRSA-N 0 0 340.468 1.237 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1cnn(C)c1C ZINC000245619356 139081314 /nfs/dbraw/zinc/08/13/14/139081314.db2.gz DSCVYUIGZQEMIH-BMFZPTHFSA-N 0 0 333.432 1.994 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCOCC3CC3)CCO2)c1 ZINC000112132062 220249485 /nfs/dbraw/zinc/24/94/85/220249485.db2.gz DUCZIHBLUFYPJX-INIZCTEOSA-N 0 0 336.436 1.419 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000155631558 206022182 /nfs/dbraw/zinc/02/21/82/206022182.db2.gz UHUQGXPYWPGJIS-INIZCTEOSA-N 0 0 348.447 1.047 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000155981173 206046372 /nfs/dbraw/zinc/04/63/72/206046372.db2.gz VEWWFMXDXCEYRX-LRDDRELGSA-N 0 0 345.374 1.653 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000156180688 206059676 /nfs/dbraw/zinc/05/96/76/206059676.db2.gz CEAHLBGIIFSJIW-BBRMVZONSA-N 0 0 330.432 1.358 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)[S@](C)=O ZINC000156185070 206061564 /nfs/dbraw/zinc/06/15/64/206061564.db2.gz LAPFSFUIMQQTAS-QVHKOIDPSA-N 0 0 331.246 1.434 10 0 EDAERN CCCn1c(C)nnc1CN1CCN(c2nccc(OCC)n2)CC1 ZINC000157116917 206117590 /nfs/dbraw/zinc/11/75/90/206117590.db2.gz ROVZZDHKYNXHNM-UHFFFAOYSA-N 0 0 345.451 1.507 10 0 EDAERN CN1CCN(C(=O)COc2cc(F)cc(Br)c2)CC1 ZINC000157262372 206126441 /nfs/dbraw/zinc/12/64/41/206126441.db2.gz JYYFERSTGKAGBJ-UHFFFAOYSA-N 0 0 331.185 1.741 10 0 EDAERN Cc1ccc(-n2cc(C[C@@H]([NH3+])C(=O)[O-])nn2)c(Br)c1 ZINC000157590348 206145925 /nfs/dbraw/zinc/14/59/25/206145925.db2.gz UNUVLWWJJLBMOE-SNVBAGLBSA-N 0 0 325.166 1.293 10 0 EDAERN [NH3+][C@@H](Cc1cn(-c2ccc(Cl)c(Br)c2)nn1)C(=O)[O-] ZINC000157608841 206146585 /nfs/dbraw/zinc/14/65/85/206146585.db2.gz NCQMAUGTKAPOMB-JTQLQIEISA-N 0 0 345.584 1.638 10 0 EDAERN COCC(C)(C)NS(=O)(=O)c1cc(Br)cnc1N ZINC000158126435 206175200 /nfs/dbraw/zinc/17/52/00/206175200.db2.gz FMQVEOPODNAAHA-UHFFFAOYSA-N 0 0 338.227 1.130 10 0 EDAERN CCn1nc(C)c(Br)c1C[C@@H](NN)c1csnn1 ZINC000158290613 206184017 /nfs/dbraw/zinc/18/40/17/206184017.db2.gz PXEOGDDSTPBRBU-SSDOTTSWSA-N 0 0 331.243 1.573 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000158361118 206186294 /nfs/dbraw/zinc/18/62/94/206186294.db2.gz MDSZQUHKSMVSNJ-QGZVFWFLSA-N 0 0 347.459 1.249 10 0 EDAERN CC(C)n1ncnc1Cn1ncc(I)cc1=O ZINC000158604576 206200781 /nfs/dbraw/zinc/20/07/81/206200781.db2.gz MQKCNHSENSLWPO-UHFFFAOYSA-N 0 0 345.144 1.069 10 0 EDAERN CN1CCc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3CO)cc21 ZINC000245966742 139091445 /nfs/dbraw/zinc/09/14/45/139091445.db2.gz ZDTDDBKCXZALSS-ZFWWWQNUSA-N 0 0 331.416 1.285 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246279000 139102156 /nfs/dbraw/zinc/10/21/56/139102156.db2.gz AEPBTHZSIDZHPJ-XJKSGUPXSA-N 0 0 337.851 1.931 10 0 EDAERN CCN(CC)C(=O)C[S@@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000151424591 284496481 /nfs/dbraw/zinc/49/64/81/284496481.db2.gz FIYPLEDMLUIGHJ-QIPPXTIRSA-N 0 0 338.473 1.869 10 0 EDAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000246436315 139108420 /nfs/dbraw/zinc/10/84/20/139108420.db2.gz HIYNWOLBLIZQKE-XJKSGUPXSA-N 0 0 342.436 1.308 10 0 EDAERN C[C@@H]1CN([C@H]2CCN(c3ccccc3F)C2=O)C[C@@H]1N1CCOCC1 ZINC000246581568 139113803 /nfs/dbraw/zinc/11/38/03/139113803.db2.gz WFAWVYMXCJUMDS-JLSDUUJJSA-N 0 0 347.434 1.584 10 0 EDAERN OC[C@H]1CCCN1c1cc(NCCCOC[C@H]2CCOC2)ncn1 ZINC000246833865 139123581 /nfs/dbraw/zinc/12/35/81/139123581.db2.gz CABILGVKSUVUPM-HUUCEWRRSA-N 0 0 336.436 1.293 10 0 EDAERN COC(=O)[C@H](NCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000161467006 206349740 /nfs/dbraw/zinc/34/97/40/206349740.db2.gz YTFFPRJSXCOQFI-GFCCVEGCSA-N 0 0 333.201 1.954 10 0 EDAERN Cc1ccc([C@H](CNC(=O)C[C@@H](O)C(C)C)N2CCOCC2)s1 ZINC000161874506 206374854 /nfs/dbraw/zinc/37/48/54/206374854.db2.gz AUNWEDJFUMKEGM-LSDHHAIUSA-N 0 0 340.489 1.953 10 0 EDAERN CCN(CCCO)S(=O)(=O)c1cc(Br)ccc1N ZINC000165034740 206509672 /nfs/dbraw/zinc/50/96/72/206509672.db2.gz DRSZGINMESYBLA-UHFFFAOYSA-N 0 0 337.239 1.424 10 0 EDAERN Cc1cc2c(ncnc2NCCc2ccc(S(N)(=O)=O)cc2)[nH]1 ZINC000169818034 206565053 /nfs/dbraw/zinc/56/50/53/206565053.db2.gz KLFUCFBLHORFHX-UHFFFAOYSA-N 0 0 331.401 1.568 10 0 EDAERN Cc1nc2c(s1)CCC[C@H]2NC(=O)C1CCN(CC(N)=O)CC1 ZINC000091871436 218081048 /nfs/dbraw/zinc/08/10/48/218081048.db2.gz NUYMWVQMFCMYHB-GFCCVEGCSA-N 0 0 336.461 1.142 10 0 EDAERN NC(=O)[C@@H]1COCCN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000092228340 218127349 /nfs/dbraw/zinc/12/73/49/218127349.db2.gz WIIQVOZIAAIKIH-LBPRGKRZSA-N 0 0 345.321 1.220 10 0 EDAERN CC[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCN1C[C@H](C)O ZINC000249104426 139185895 /nfs/dbraw/zinc/18/58/95/139185895.db2.gz QDMJOWKLZOSAML-UONOGXRCSA-N 0 0 334.464 1.596 10 0 EDAERN O=C(CN1CCO[C@H]2CCCC[C@H]21)NCCN1CCc2ccccc21 ZINC000249714397 139197479 /nfs/dbraw/zinc/19/74/79/139197479.db2.gz HFTQUBYNRKFGCI-MOPGFXCFSA-N 0 0 343.471 1.809 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000094716567 218269425 /nfs/dbraw/zinc/26/94/25/218269425.db2.gz YACLUOVFDXZWIH-VIFPVBQESA-N 0 0 349.175 1.788 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(C(N)=O)c1 ZINC000249747407 139197950 /nfs/dbraw/zinc/19/79/50/139197950.db2.gz NQEUPBBGGLHBGM-GLQYFDAESA-N 0 0 330.384 1.732 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000251858283 139203037 /nfs/dbraw/zinc/20/30/37/139203037.db2.gz ROZFRTFDLXPTFD-CQSZACIVSA-N 0 0 330.454 1.253 10 0 EDAERN COc1cccc(CNC(=O)[C@H](C)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000252321813 139204180 /nfs/dbraw/zinc/20/41/80/139204180.db2.gz ZBHQLGWRYWALOS-GOEBONIOSA-N 0 0 343.431 1.629 10 0 EDAERN C[C@@H](O)c1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000171905804 206765319 /nfs/dbraw/zinc/76/53/19/206765319.db2.gz LSHMQZICTQRFEC-PBHICJAKSA-N 0 0 344.415 1.547 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cncn1-c1ccc(F)cc1 ZINC000172002159 206777380 /nfs/dbraw/zinc/77/73/80/206777380.db2.gz BZVGHOXEOQSVKG-LBPRGKRZSA-N 0 0 326.335 1.348 10 0 EDAERN Cn1c(Cn2cc(I)cn2)nnc1C1CC1 ZINC000172370564 206823242 /nfs/dbraw/zinc/82/32/42/206823242.db2.gz WYKZBVZVFHWEPT-UHFFFAOYSA-N 0 0 329.145 1.542 10 0 EDAERN C[C@H](NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCCO1 ZINC000172767600 206867090 /nfs/dbraw/zinc/86/70/90/206867090.db2.gz ANNPWVSOZWBHRX-IAOVAPTHSA-N 0 0 336.407 1.883 10 0 EDAERN Cn1c(CNC(=O)N2CCC[C@@H](n3cncn3)C2)nc2ccccc21 ZINC000173508814 206934251 /nfs/dbraw/zinc/93/42/51/206934251.db2.gz DPKXUAYGENIQOR-CYBMUJFWSA-N 0 0 339.403 1.712 10 0 EDAERN Cc1csc(-c2cccc(S(=O)(=O)NCC(F)(F)CN)c2)n1 ZINC000262024783 139244606 /nfs/dbraw/zinc/24/46/06/139244606.db2.gz JCVRCGJJWGOIAD-UHFFFAOYSA-N 0 0 347.412 1.991 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(NC=O)cc1)CC2 ZINC000174454332 207020244 /nfs/dbraw/zinc/02/02/44/207020244.db2.gz IEWPNUZNHFLHOY-AWEZNQCLSA-N 0 0 327.388 1.715 10 0 EDAERN CC[C@@H]1CN(C(=O)CSCc2ccncc2)CCN1C[C@@H](C)O ZINC000174636888 207040017 /nfs/dbraw/zinc/04/00/17/207040017.db2.gz OBRMOCJQDMIYMB-GDBMZVCRSA-N 0 0 337.489 1.618 10 0 EDAERN Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c(=O)[nH]1 ZINC000175734704 207155401 /nfs/dbraw/zinc/15/54/01/207155401.db2.gz ATHTUDRBEDRAPM-NSHDSACASA-N 0 0 337.420 1.508 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000175971938 207178668 /nfs/dbraw/zinc/17/86/68/207178668.db2.gz SDOSOBUMXRRNRO-CYBMUJFWSA-N 0 0 329.360 1.821 10 0 EDAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)N[C@H]1CCCC[C@@H]1CO ZINC000175911497 207172586 /nfs/dbraw/zinc/17/25/86/207172586.db2.gz GAXQBSOTFZGWSI-HIFRSBDPSA-N 0 0 349.431 1.735 10 0 EDAERN COc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000176018282 207182690 /nfs/dbraw/zinc/18/26/90/207182690.db2.gz NDQSQDWBOBZRHH-LBPRGKRZSA-N 0 0 347.350 1.324 10 0 EDAERN COC[C@H](C)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000176265371 207209073 /nfs/dbraw/zinc/20/90/73/207209073.db2.gz JRYCRNWUJKHMOF-INIZCTEOSA-N 0 0 332.444 1.963 10 0 EDAERN COc1nc(N[C@@H]2CCCn3ncnc32)ncc1Br ZINC000176265066 207209539 /nfs/dbraw/zinc/20/95/39/207209539.db2.gz LWVRMQBRPHEPFC-MRVPVSSYSA-N 0 0 325.170 1.786 10 0 EDAERN COC[C@@H](C)C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176519795 207234295 /nfs/dbraw/zinc/23/42/95/207234295.db2.gz DPOGEZQSMCDJAD-KGLIPLIRSA-N 0 0 326.462 1.862 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000176769692 207260013 /nfs/dbraw/zinc/26/00/13/207260013.db2.gz MZSNIQZZFHIVDC-ABAIWWIYSA-N 0 0 342.399 1.897 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000177202352 207306446 /nfs/dbraw/zinc/30/64/46/207306446.db2.gz ZUCVLBMSNFJEPH-TZMCWYRMSA-N 0 0 330.388 1.594 10 0 EDAERN CCn1cc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1=O ZINC000177229332 207310942 /nfs/dbraw/zinc/31/09/42/207310942.db2.gz ZQUFYOLKGSTQPY-UKRRQHHQSA-N 0 0 334.420 1.053 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000177188759 207303059 /nfs/dbraw/zinc/30/30/59/207303059.db2.gz XSERTEKEJWUUKV-MRXNPFEDSA-N 0 0 326.400 1.856 10 0 EDAERN C[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)C[C@@H]1N1CCOCC1 ZINC000177260077 207314383 /nfs/dbraw/zinc/31/43/83/207314383.db2.gz LXOBYEFPXJARKC-QAPCUYQASA-N 0 0 327.432 1.420 10 0 EDAERN CC(C)C1(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC000177399718 207332188 /nfs/dbraw/zinc/33/21/88/207332188.db2.gz OLLUXBIYEYDSLF-GDBMZVCRSA-N 0 0 332.448 1.882 10 0 EDAERN O=c1nc(CSC[C@@H](O)CO)[nH]c2scc(-c3ccco3)c21 ZINC000177434835 207336321 /nfs/dbraw/zinc/33/63/21/207336321.db2.gz OGNLNCNDYJFAQX-QMMMGPOBSA-N 0 0 338.410 1.831 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(OC)cc1 ZINC000177431015 207336496 /nfs/dbraw/zinc/33/64/96/207336496.db2.gz CEWPYYGLMJSFSR-AWEZNQCLSA-N 0 0 345.403 1.767 10 0 EDAERN COc1cc(CCC(=O)N[C@H]2CCCn3ncnc32)cc(OC)c1 ZINC000177523869 207349115 /nfs/dbraw/zinc/34/91/15/207349115.db2.gz QFMFBSZMGYXBPO-HNNXBMFYSA-N 0 0 330.388 1.879 10 0 EDAERN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177567685 207357289 /nfs/dbraw/zinc/35/72/89/207357289.db2.gz NCYLSNFPXSIPDE-IUODEOHRSA-N 0 0 328.372 1.899 10 0 EDAERN CSC1(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)CCOCC1 ZINC000177565864 207357441 /nfs/dbraw/zinc/35/74/41/207357441.db2.gz BGTKDFYDDWXCIS-CQSZACIVSA-N 0 0 338.477 1.969 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000177579447 207358945 /nfs/dbraw/zinc/35/89/45/207358945.db2.gz WOTHDATUVYTYNC-RYUDHWBXSA-N 0 0 335.408 1.629 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000177610490 207364011 /nfs/dbraw/zinc/36/40/11/207364011.db2.gz BHEGMBSXWSECPO-HUUCEWRRSA-N 0 0 333.432 1.155 10 0 EDAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCO3)C[C@H]1N1CCOCC1 ZINC000177742477 207387108 /nfs/dbraw/zinc/38/71/08/207387108.db2.gz UVVITLPMMKLSKK-XJKSGUPXSA-N 0 0 331.416 1.806 10 0 EDAERN CN(CC(=O)N1CCC[C@@H]1Cn1ccnc1)C(=O)c1cccs1 ZINC000177781577 207395860 /nfs/dbraw/zinc/39/58/60/207395860.db2.gz CQACBGOBFXAYBH-CYBMUJFWSA-N 0 0 332.429 1.708 10 0 EDAERN COCCOCCNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178975867 207559741 /nfs/dbraw/zinc/55/97/41/207559741.db2.gz RLZJENWMPLHAEM-DOMZBBRYSA-N 0 0 344.358 1.445 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N1CC[C@H](CO)C1)C(C)C ZINC000179668618 207670511 /nfs/dbraw/zinc/67/05/11/207670511.db2.gz FUMOMRIDAGHYTP-XJKSGUPXSA-N 0 0 334.416 1.290 10 0 EDAERN O=C([C@H]1CC(F)(F)CN1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000263179983 139326888 /nfs/dbraw/zinc/32/68/88/139326888.db2.gz GRBLOTPLFFOCCE-CHWSQXEVSA-N 0 0 332.297 1.862 10 0 EDAERN Cc1nc(NC(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)oc1C ZINC000263476963 139344027 /nfs/dbraw/zinc/34/40/27/139344027.db2.gz JPAUKJZEQHFKMX-UHFFFAOYSA-N 0 0 336.392 1.741 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cccc3c1OCCO3)CC2 ZINC000114903574 220775035 /nfs/dbraw/zinc/77/50/35/220775035.db2.gz MJXFHDKIHBMDKP-LLVKDONJSA-N 0 0 343.387 1.748 10 0 EDAERN COCCN1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C[C@H]1C ZINC000117288841 221045625 /nfs/dbraw/zinc/04/56/25/221045625.db2.gz IOBNBPTYFUEXSL-OAHLLOKOSA-N 0 0 343.427 1.181 10 0 EDAERN COCCN1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C[C@@H]1C ZINC000117288844 221046396 /nfs/dbraw/zinc/04/63/96/221046396.db2.gz IOBNBPTYFUEXSL-HNNXBMFYSA-N 0 0 343.427 1.181 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000117521694 221073088 /nfs/dbraw/zinc/07/30/88/221073088.db2.gz VRMBZWPHSLBGHF-MRXNPFEDSA-N 0 0 347.459 1.811 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)ccc2C)CCN1CCOC ZINC000117526540 221074647 /nfs/dbraw/zinc/07/46/47/221074647.db2.gz UQYRNBBISYVEDT-INIZCTEOSA-N 0 0 347.459 1.811 10 0 EDAERN C[C@@H](CNC(=O)NCCOC1CCCCCC1)N1CCOCC1 ZINC000118467243 221151216 /nfs/dbraw/zinc/15/12/16/221151216.db2.gz ZKXABOMFJXCQEO-HNNXBMFYSA-N 0 0 327.469 1.746 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nn[nH]n1)c1cccs1 ZINC000118685756 221169926 /nfs/dbraw/zinc/16/99/26/221169926.db2.gz LVNDSFJWBTUFLH-LLVKDONJSA-N 0 0 342.384 1.241 10 0 EDAERN O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)[N-]OCc1ccccc1 ZINC000119426530 221318309 /nfs/dbraw/zinc/31/83/09/221318309.db2.gz FFLPCJMDIMPORD-INIZCTEOSA-N 0 0 329.404 1.238 10 0 EDAERN CCCCS(=O)(=O)N1C[C@@H]2CC[C@]3(N=C(CC)NC3=O)[C@@H]2C1 ZINC000253605357 257657636 /nfs/dbraw/zinc/65/76/36/257657636.db2.gz TZMWXWPENUKCCJ-ZOWXZIJZSA-N 0 0 327.450 1.135 10 0 EDAERN CC(=O)N1CCO[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CC[C@H]2C1 ZINC000247955400 257673237 /nfs/dbraw/zinc/67/32/37/257673237.db2.gz SJHMVUPZZDECQW-YOEHRIQHSA-N 0 0 346.383 1.125 10 0 EDAERN COc1cccc(N2CC[C@H](CNC(=O)N3CC(NC(C)=O)C3)C2)c1 ZINC000190019502 533583117 /nfs/dbraw/zinc/58/31/17/533583117.db2.gz SUJHZKWJWMGUTQ-CQSZACIVSA-N 0 0 346.431 1.051 10 0 EDAERN CCN1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1=O ZINC000190571602 285432457 /nfs/dbraw/zinc/43/24/57/285432457.db2.gz NYZMOFFXKFYUEM-YOEHRIQHSA-N 0 0 329.400 1.244 10 0 EDAERN CS(=O)(=O)N1CCN(c2nnc(Cl)c3ccccc32)CC1 ZINC000062085067 132435658 /nfs/dbraw/zinc/43/56/58/132435658.db2.gz WPDUMHBLMKYISG-UHFFFAOYSA-N 0 0 326.809 1.365 10 0 EDAERN Cc1ccc(Br)c(C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091782560 292042643 /nfs/dbraw/zinc/04/26/43/292042643.db2.gz KPJPVOYDQWJMTK-NSHDSACASA-N 0 0 327.178 1.084 10 0 EDAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C[C@H]1CCCCNC1=O)CC2 ZINC000328776230 140674479 /nfs/dbraw/zinc/67/44/79/140674479.db2.gz KZWGNZKERXZDBN-QLFBSQMISA-N 0 0 338.448 1.912 10 0 EDAERN CN(C)c1nccc([C@H]2CN(C(=O)[C@]3(C)CCCNC3=O)CCO2)n1 ZINC000328827734 140677748 /nfs/dbraw/zinc/67/77/48/140677748.db2.gz QOMYGQYRFBXLDQ-CXAGYDPISA-N 0 0 347.419 1.199 10 0 EDAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329045673 140692607 /nfs/dbraw/zinc/69/26/07/140692607.db2.gz PRZXCOCTTJIUIF-RISCZKNCSA-N 0 0 345.424 1.972 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]12CCOC2 ZINC000333029020 141252574 /nfs/dbraw/zinc/25/25/74/141252574.db2.gz BUKLITACSLWHOP-VQIMIIECSA-N 0 0 346.427 1.459 10 0 EDAERN CCc1nn(C)cc1CNC(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000333066992 141258076 /nfs/dbraw/zinc/25/80/76/141258076.db2.gz UGGKWNLRKOEVJS-XJKSGUPXSA-N 0 0 346.435 1.436 10 0 EDAERN C[C@@H]1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC000333084049 141260996 /nfs/dbraw/zinc/26/09/96/141260996.db2.gz GCKBLYNXZCYSKX-DOMZBBRYSA-N 0 0 325.430 1.197 10 0 EDAERN O=C(NC[C@@H]1CCOC2(CCC2)C1)[C@H]1COCCN1CC1CCC1 ZINC000333131108 141269167 /nfs/dbraw/zinc/26/91/67/141269167.db2.gz WYLZJIPDDGVIKC-IAGOWNOFSA-N 0 0 336.476 1.953 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCC([C@H](C)O)CC2)cn1 ZINC000333770401 141377965 /nfs/dbraw/zinc/37/79/65/141377965.db2.gz XTBFJHWXTUSVQH-VBNZEHGJSA-N 0 0 336.436 1.535 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CNC(=O)C(C)(C)C)C12CCOCC2 ZINC000185088012 286344647 /nfs/dbraw/zinc/34/46/47/286344647.db2.gz WMAKDLCBRVGXKJ-QWHCGFSZSA-N 0 0 326.437 1.239 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N(C)CC2(O)CCCC2)C12CCOCC2 ZINC000185677983 286527453 /nfs/dbraw/zinc/52/74/53/286527453.db2.gz ZKMCVNJTKMKWCJ-GJZGRUSLSA-N 0 0 340.464 1.907 10 0 EDAERN O=C(c1cccc(C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)n1)N1CCCC1 ZINC000333438681 161661131 /nfs/dbraw/zinc/66/11/31/161661131.db2.gz JFIAVYOYLPKYKM-LSDHHAIUSA-N 0 0 343.427 1.816 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCC(C)(C)C[C@@H](C)O ZINC000074546968 287271892 /nfs/dbraw/zinc/27/18/92/287271892.db2.gz AEYMBVWDEBHTOO-ZIAGYGMSSA-N 0 0 327.469 1.826 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000080622669 287308030 /nfs/dbraw/zinc/30/80/30/287308030.db2.gz FHOGQKSRUQQKTB-HNNXBMFYSA-N 0 0 346.431 1.815 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)C[C@@H](C)O ZINC000080905588 287309724 /nfs/dbraw/zinc/30/97/24/287309724.db2.gz CGUXFOCRBMZWLD-OLZOCXBDSA-N 0 0 334.482 1.104 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000089824140 287323070 /nfs/dbraw/zinc/32/30/70/287323070.db2.gz UYKXXTHQLYBGIV-CQSZACIVSA-N 0 0 341.396 1.938 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000089824139 287323251 /nfs/dbraw/zinc/32/32/51/287323251.db2.gz UYKXXTHQLYBGIV-AWEZNQCLSA-N 0 0 341.396 1.938 10 0 EDAERN CC(C)C[C@@H](CCO)CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000120870822 287365319 /nfs/dbraw/zinc/36/53/19/287365319.db2.gz XVCXCOMCTJKMDV-CVEARBPZSA-N 0 0 338.452 1.338 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)c1cscc1Br ZINC000168011178 226206294 /nfs/dbraw/zinc/20/62/94/226206294.db2.gz ZYFUKLGEZGIWMV-MRVPVSSYSA-N 0 0 326.237 1.455 10 0 EDAERN NC(=S)c1cc(NC(=O)[C@@H]2CCCCS2(=O)=O)ccc1F ZINC000168474320 226215319 /nfs/dbraw/zinc/21/53/19/226215319.db2.gz ZOTIJVYXNJDCMM-NSHDSACASA-N 0 0 330.406 1.366 10 0 EDAERN NC(=S)[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000168468583 226215690 /nfs/dbraw/zinc/21/56/90/226215690.db2.gz IPCDTHWKXPBLRL-NWDGAFQWSA-N 0 0 332.491 1.305 10 0 EDAERN CCOCCC1(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)CCC1 ZINC000122682276 222136574 /nfs/dbraw/zinc/13/65/74/222136574.db2.gz DNNFZMWBQDTOFE-ZDUSSCGKSA-N 0 0 336.436 1.864 10 0 EDAERN O=C(Nc1cccc(OCCF)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000123213278 222237006 /nfs/dbraw/zinc/23/70/06/222237006.db2.gz NUDMNFPDEZEARY-OAHLLOKOSA-N 0 0 337.395 1.973 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(OC)no3)CC2)n1 ZINC000153234073 287622740 /nfs/dbraw/zinc/62/27/40/287622740.db2.gz PDFUBMVKJFFANE-JTQLQIEISA-N 0 0 335.364 1.148 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000028398455 267381020 /nfs/dbraw/zinc/38/10/20/267381020.db2.gz BJKCZRVXIRLZRJ-CYBMUJFWSA-N 0 0 334.420 1.165 10 0 EDAERN COC(=O)C1CCC(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000179461234 267621216 /nfs/dbraw/zinc/62/12/16/267621216.db2.gz DGRJIQDAYWMFLX-UHFFFAOYSA-N 0 0 342.399 1.863 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000190472458 267798038 /nfs/dbraw/zinc/79/80/38/267798038.db2.gz VJCNLSUPSBLRSL-UONOGXRCSA-N 0 0 337.217 1.900 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3cnns3)C2)n1 ZINC000192034874 267818140 /nfs/dbraw/zinc/81/81/40/267818140.db2.gz OUJXNSVYMSJLDE-SECBINFHSA-N 0 0 337.430 1.648 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)[C@@H]3CCOC[C@@H]3C)CC2)n1 ZINC000192530070 267826536 /nfs/dbraw/zinc/82/65/36/267826536.db2.gz BUJRSFGHWTUFPY-UONOGXRCSA-N 0 0 334.420 1.197 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000194805673 267864866 /nfs/dbraw/zinc/86/48/66/267864866.db2.gz DYLVLGQWIIVMHW-JQWIXIFHSA-N 0 0 330.388 1.284 10 0 EDAERN O=C(Nc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1)c1ccco1 ZINC000194785831 267864947 /nfs/dbraw/zinc/86/49/47/267864947.db2.gz DSZFOKJRZVMCCH-LBPRGKRZSA-N 0 0 327.340 1.284 10 0 EDAERN O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@H](n2cncn2)C1 ZINC000105854457 272920491 /nfs/dbraw/zinc/92/04/91/272920491.db2.gz UZJRKGNBWZQDHW-HNNXBMFYSA-N 0 0 337.383 1.526 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2CCCN2c2nccs2)C[C@H]1C ZINC000117285251 274028780 /nfs/dbraw/zinc/02/87/80/274028780.db2.gz OZBMHIWFKKORGV-KGLIPLIRSA-N 0 0 338.477 1.291 10 0 EDAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cn1 ZINC000249555509 287806683 /nfs/dbraw/zinc/80/66/83/287806683.db2.gz JOKOIGKPODDLCU-ZLDLUXBVSA-N 0 0 334.420 1.460 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OC[C@H]2CCCCO2)C1 ZINC000249731656 287814756 /nfs/dbraw/zinc/81/47/56/287814756.db2.gz ARFGKKCGTCKSPZ-BZUAXINKSA-N 0 0 340.464 1.868 10 0 EDAERN CC(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176103986 276061169 /nfs/dbraw/zinc/06/11/69/276061169.db2.gz RLURXPRLWZBTLV-AWEZNQCLSA-N 0 0 327.388 1.991 10 0 EDAERN CCN(CC)c1nc(C(=O)N2CCOCC2)nc2nc(C)cc(C)c21 ZINC000065232102 276341475 /nfs/dbraw/zinc/34/14/75/276341475.db2.gz XVUNSENEGMMFDO-UHFFFAOYSA-N 0 0 343.431 1.960 10 0 EDAERN CC(=O)N1CCc2cc(C(=O)N[C@H]3CCCn4nc(C)nc43)ccc21 ZINC000081581965 277011805 /nfs/dbraw/zinc/01/18/05/277011805.db2.gz RMETZWPTNGZGMI-HNNXBMFYSA-N 0 0 339.399 1.760 10 0 EDAERN CC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000171789752 278036965 /nfs/dbraw/zinc/03/69/65/278036965.db2.gz ZCGQTHOOIXYHQK-SJLPKXTDSA-N 0 0 343.427 1.287 10 0 EDAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000334129777 278068798 /nfs/dbraw/zinc/06/87/98/278068798.db2.gz SOVMFMVIWOFRBN-DHSIGJKJSA-N 0 0 339.395 1.783 10 0 EDAERN Cc1nc2c(cnn2C)c(N2CC(C)(C)O[C@@]3(CCCOC3)C2)n1 ZINC000330065693 279113733 /nfs/dbraw/zinc/11/37/33/279113733.db2.gz DFAZWIHHGHVADW-KRWDZBQOSA-N 0 0 331.420 1.836 10 0 EDAERN Cc1nc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ncc(C)cn2)cs1 ZINC000253600880 293262315 /nfs/dbraw/zinc/26/23/15/293262315.db2.gz BXHKJXWTGZAKBM-ZIAGYGMSSA-N 0 0 329.429 1.930 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000081588700 293520784 /nfs/dbraw/zinc/52/07/84/293520784.db2.gz NPKCBCGPQGNAID-ZIAGYGMSSA-N 0 0 326.356 1.319 10 0 EDAERN CO[C@@H]([C@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)C1CC1 ZINC000333585975 293564458 /nfs/dbraw/zinc/56/44/58/293564458.db2.gz AYXAITDRHGEVQK-XNISGKROSA-N 0 0 325.453 1.305 10 0 EDAERN COc1ccc(-n2cc([O-])c(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000181047945 295050287 /nfs/dbraw/zinc/05/02/87/295050287.db2.gz YRUBDRZUFKTZCF-AWEZNQCLSA-N 0 0 342.399 1.507 10 0 EDAERN COc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)nn1 ZINC000176303735 295083192 /nfs/dbraw/zinc/08/31/92/295083192.db2.gz HMUWZOXPVUHAGB-ZDUSSCGKSA-N 0 0 342.403 1.780 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000091783031 295158118 /nfs/dbraw/zinc/15/81/18/295158118.db2.gz IHGQTTFIHACYQX-NWDGAFQWSA-N 0 0 330.306 1.435 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000091783783 295158981 /nfs/dbraw/zinc/15/89/81/295158981.db2.gz LBFKGXOBNJWEDZ-MRXNPFEDSA-N 0 0 332.400 1.724 10 0 EDAERN CCc1csc([C@@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)n1 ZINC000172044703 302946517 /nfs/dbraw/zinc/94/65/17/302946517.db2.gz JYOJLWNHDMSLCS-LLVKDONJSA-N 0 0 345.490 1.351 10 0 EDAERN Cc1noc([C@@]2(O)CCN(C(=O)COCCc3ccccc3)C2)n1 ZINC000372881042 447332985 /nfs/dbraw/zinc/33/29/85/447332985.db2.gz RDBHPDKHTYGZAW-QGZVFWFLSA-N 0 0 331.372 1.057 10 0 EDAERN CC(C)(C)OC(=O)CS(=O)(=O)c1ccc(Br)nc1 ZINC000008698268 441097155 /nfs/dbraw/zinc/09/71/55/441097155.db2.gz VALVDIZKQBCZFM-UHFFFAOYSA-N 0 0 336.207 1.960 10 0 EDAERN Nc1nc(=O)c(CCCCC(=O)c2nc3ccccc3o2)c(N)[nH]1 ZINC000013858967 441168122 /nfs/dbraw/zinc/16/81/22/441168122.db2.gz FSIHPTDYGKCLAA-UHFFFAOYSA-N 0 0 327.344 1.671 10 0 EDAERN C[C@@H](NC(=O)NCC1(O)CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000080551225 441179019 /nfs/dbraw/zinc/17/90/19/441179019.db2.gz JJBOGARCHJOABM-CQSZACIVSA-N 0 0 344.415 1.774 10 0 EDAERN CC(=O)NCCCN(C)c1ccc(C(=O)Nc2nncs2)cn1 ZINC000080608005 441183191 /nfs/dbraw/zinc/18/31/91/441183191.db2.gz WRCLCLINEGUBOF-UHFFFAOYSA-N 0 0 334.405 1.148 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCCn1ccnc1 ZINC000080631722 441185301 /nfs/dbraw/zinc/18/53/01/441185301.db2.gz OFMHAWVVBLMAKN-ZDUSSCGKSA-N 0 0 337.424 1.582 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCN(c2ccccc2Cl)CC1 ZINC000013490655 441159195 /nfs/dbraw/zinc/15/91/95/441159195.db2.gz DMQCGBZLCNEABF-CQSZACIVSA-N 0 0 337.851 1.445 10 0 EDAERN Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1Cl ZINC000081159763 441237107 /nfs/dbraw/zinc/23/71/07/441237107.db2.gz OXCVJFSRTPQCHJ-GFCCVEGCSA-N 0 0 339.823 1.424 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000081073737 441228449 /nfs/dbraw/zinc/22/84/49/441228449.db2.gz VAHQGBPBLXGCKJ-LBPRGKRZSA-N 0 0 328.344 1.678 10 0 EDAERN COCCCNC(=O)CN(C)c1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000105786714 441268951 /nfs/dbraw/zinc/26/89/51/441268951.db2.gz IEOVATFOLGTJHQ-CQSZACIVSA-N 0 0 335.452 1.302 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000106397504 441338186 /nfs/dbraw/zinc/33/81/86/441338186.db2.gz PCLFESNPSPBCIW-GFCCVEGCSA-N 0 0 334.445 1.667 10 0 EDAERN C[C@H](C1CC1)N(C(=O)CN1CCO[C@H](Cn2cccn2)C1)C1CC1 ZINC000105890419 441309338 /nfs/dbraw/zinc/30/93/38/441309338.db2.gz IDBGZMNDJNGATB-PBHICJAKSA-N 0 0 332.448 1.373 10 0 EDAERN CN(CCS(C)(=O)=O)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105903560 441313008 /nfs/dbraw/zinc/31/30/08/441313008.db2.gz ZIXHZSHCQWKCSB-ZDUSSCGKSA-N 0 0 332.491 1.098 10 0 EDAERN CC[C@H](C(=O)N(C)Cc1ccco1)N1c2cc(C)nn2CCC1=O ZINC000064817711 441393414 /nfs/dbraw/zinc/39/34/14/441393414.db2.gz QMMVLYYGIUSCNS-CQSZACIVSA-N 0 0 330.388 1.958 10 0 EDAERN CC[C@@H](NC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C)C(=O)OC ZINC000084370565 441395459 /nfs/dbraw/zinc/39/54/59/441395459.db2.gz HVWBIULDQCCRDY-HUUCEWRRSA-N 0 0 334.416 1.817 10 0 EDAERN COc1cccc2nnc(NC(=O)Nc3ccc4c(c3)OCO4)n21 ZINC000065314582 441417849 /nfs/dbraw/zinc/41/78/49/441417849.db2.gz PFKOLKSNNJSFTN-UHFFFAOYSA-N 0 0 327.300 2.111 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000028480212 441433917 /nfs/dbraw/zinc/43/39/17/441433917.db2.gz KMUSTNCDTYZDCE-HNNXBMFYSA-N 0 0 342.436 1.689 10 0 EDAERN Cc1ccc(-n2nnnc2N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000108949297 441482947 /nfs/dbraw/zinc/48/29/47/441482947.db2.gz ZUCRLSHDYURSPD-HNNXBMFYSA-N 0 0 325.376 1.073 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COCCOc1ccccc1 ZINC000087563097 441494068 /nfs/dbraw/zinc/49/40/68/441494068.db2.gz XFXMMFUBKLEWQI-HNNXBMFYSA-N 0 0 344.415 1.887 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)C(N)=O ZINC000053394560 441518066 /nfs/dbraw/zinc/51/80/66/441518066.db2.gz DZIPIJKWLMSXSR-SKDRFNHKSA-N 0 0 325.796 1.084 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C)c1 ZINC000088817200 441524195 /nfs/dbraw/zinc/52/41/95/441524195.db2.gz PCPFWABUFURAGM-CYBMUJFWSA-N 0 0 327.388 1.739 10 0 EDAERN CN1N=C(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)CCC1=O ZINC000066512611 441540412 /nfs/dbraw/zinc/54/04/12/441540412.db2.gz AQMUQQPGYFWMNW-OAHLLOKOSA-N 0 0 329.400 1.973 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3ccnc(C)n3)CCO2)n1 ZINC000111835066 441541597 /nfs/dbraw/zinc/54/15/97/441541597.db2.gz UQNUVBISTDDNBC-MRXNPFEDSA-N 0 0 344.419 1.209 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)CCCc3ccccn3)CCO2)c1 ZINC000112117662 441544771 /nfs/dbraw/zinc/54/47/71/441544771.db2.gz SDYKFULMKKYEAZ-QGZVFWFLSA-N 0 0 328.416 1.837 10 0 EDAERN COc1ccc(/C=C/C(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000112661324 441553526 /nfs/dbraw/zinc/55/35/26/441553526.db2.gz KEZXIYBWWAAVQZ-FLUIGGAXSA-N 0 0 328.372 1.440 10 0 EDAERN O=C(NCc1ccc2c(c1)OCCCO2)N[C@H]1CCc2ncnn2C1 ZINC000112748378 441557907 /nfs/dbraw/zinc/55/79/07/441557907.db2.gz RXJGHXGKTFDLSY-ZDUSSCGKSA-N 0 0 343.387 1.254 10 0 EDAERN CC(C)(C)c1csc(CCNC(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000112749219 441557938 /nfs/dbraw/zinc/55/79/38/441557938.db2.gz JUUVWRYTCZDJNS-NSHDSACASA-N 0 0 348.476 1.889 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(Cl)ccc1Cl ZINC000113299133 441599878 /nfs/dbraw/zinc/59/98/78/441599878.db2.gz ZVENYVCKRAWSOW-SECBINFHSA-N 0 0 347.227 1.878 10 0 EDAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113896655 441626880 /nfs/dbraw/zinc/62/68/80/441626880.db2.gz OQVVMHPYQWBFER-HNNXBMFYSA-N 0 0 337.387 1.817 10 0 EDAERN COC[C@H]1CN(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CCO1 ZINC000076471020 441649444 /nfs/dbraw/zinc/64/94/44/441649444.db2.gz ZATGYERAWHPKSD-RHSMWYFYSA-N 0 0 344.415 1.990 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cccnc1OC)CC2 ZINC000114924868 441698677 /nfs/dbraw/zinc/69/86/77/441698677.db2.gz GNNKIIFOCXJNMX-GFCCVEGCSA-N 0 0 330.392 1.058 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)c2cccnc2)ncn1 ZINC000173419272 441743864 /nfs/dbraw/zinc/74/38/64/441743864.db2.gz UEOUPSQBFLOUDA-DZGCQCFKSA-N 0 0 340.431 1.802 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)C2)n1 ZINC000173420219 441744104 /nfs/dbraw/zinc/74/41/04/441744104.db2.gz XKJAZQBKFCDLKM-LBPRGKRZSA-N 0 0 335.429 1.697 10 0 EDAERN O=c1n2ccccc2nn1CCCN1CCN(c2ccccc2)CC1 ZINC000077286492 441747188 /nfs/dbraw/zinc/74/71/88/441747188.db2.gz JGIRPKCVHRVHJZ-UHFFFAOYSA-N 0 0 337.427 1.708 10 0 in-vitro EDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cccc4c3OCCO4)C2)cn1 ZINC000116371077 441815598 /nfs/dbraw/zinc/81/55/98/441815598.db2.gz PCPURUMTQOTCJF-LBPRGKRZSA-N 0 0 349.412 1.370 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000057024900 441775100 /nfs/dbraw/zinc/77/51/00/441775100.db2.gz QYDZJGJKYKDRSG-WMLDXEAASA-N 0 0 347.459 1.816 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)CCO2)[nH]1 ZINC000173521737 441776843 /nfs/dbraw/zinc/77/68/43/441776843.db2.gz GEVNYCFWAWILFV-AWEZNQCLSA-N 0 0 341.371 1.212 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccccc43)CCO2)[nH]1 ZINC000173542966 441786624 /nfs/dbraw/zinc/78/66/24/441786624.db2.gz ZWYDXDGJKTVDEF-AWEZNQCLSA-N 0 0 339.355 1.581 10 0 EDAERN CCOc1ccccc1C(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000173559162 441791159 /nfs/dbraw/zinc/79/11/59/441791159.db2.gz QDJPPPXDFQRZSP-CQSZACIVSA-N 0 0 330.388 1.980 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)COc3ccc(CC)cc3)CCO2)[nH]1 ZINC000173567355 441793720 /nfs/dbraw/zinc/79/37/20/441793720.db2.gz UIUJRGNBEGGFFH-HNNXBMFYSA-N 0 0 344.415 1.908 10 0 EDAERN O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173574237 441795836 /nfs/dbraw/zinc/79/58/36/441795836.db2.gz GDAHRHKVSCJFNX-OWCLPIDISA-N 0 0 328.412 1.868 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2c(C)nn(CC)c2Cl)CC1 ZINC000173585121 441799260 /nfs/dbraw/zinc/79/92/60/441799260.db2.gz GUZJBNFPCROWRH-GFCCVEGCSA-N 0 0 328.844 1.394 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(C(C)=O)cc3)CCO2)[nH]1 ZINC000173608103 441803596 /nfs/dbraw/zinc/80/35/96/441803596.db2.gz CMNIIRUOVUHCTP-CQSZACIVSA-N 0 0 328.372 1.783 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(NC(C)=O)cc3)CCO2)[nH]1 ZINC000173609970 441804073 /nfs/dbraw/zinc/80/40/73/441804073.db2.gz JZQWYEIIIPNQAW-AWEZNQCLSA-N 0 0 343.387 1.539 10 0 EDAERN C[C@@H](NCc1nnc2n1CCCC2)C(=O)N[C@@H](C)c1ccccc1 ZINC000173639397 441812136 /nfs/dbraw/zinc/81/21/36/441812136.db2.gz NZGZKOHKXYUZJM-UONOGXRCSA-N 0 0 327.432 1.970 10 0 EDAERN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116322749 441812954 /nfs/dbraw/zinc/81/29/54/441812954.db2.gz LSIOZMKRTXENMX-RYRKJORJSA-N 0 0 348.491 1.921 10 0 EDAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1)C(C)C ZINC000117064532 441864478 /nfs/dbraw/zinc/86/44/78/441864478.db2.gz IEJLYJDQQDYIFG-BLLLJJGKSA-N 0 0 331.416 1.907 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000122859687 441864709 /nfs/dbraw/zinc/86/47/09/441864709.db2.gz FCOJWZOGXFYWMG-INIZCTEOSA-N 0 0 342.399 1.902 10 0 EDAERN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173937534 441865747 /nfs/dbraw/zinc/86/57/47/441865747.db2.gz IOLBPFKXVOWASK-YJBOKZPZSA-N 0 0 349.450 1.579 10 0 EDAERN COCCN1CCN(C(=O)c2cnn(-c3ccccn3)c2C)C[C@H]1C ZINC000117292681 441866862 /nfs/dbraw/zinc/86/68/62/441866862.db2.gz XEGQNGIYNQAUQP-CQSZACIVSA-N 0 0 343.431 1.368 10 0 EDAERN COCCN1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000117292636 441867146 /nfs/dbraw/zinc/86/71/46/441867146.db2.gz UIQDVMUJIBKGKK-INIZCTEOSA-N 0 0 342.443 1.594 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)ccc1Cl ZINC000092757626 441824952 /nfs/dbraw/zinc/82/49/52/441824952.db2.gz WZVWVUPEGQSZSO-LLVKDONJSA-N 0 0 331.775 1.294 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1CSC ZINC000121994354 441825995 /nfs/dbraw/zinc/82/59/95/441825995.db2.gz ILPPJHJYDCKKIU-NEPJUHHUSA-N 0 0 339.465 1.796 10 0 EDAERN O=C1CNC(=O)N1CCCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173711453 441828359 /nfs/dbraw/zinc/82/83/59/441828359.db2.gz NGYOCHPZBVHNGH-UHFFFAOYSA-N 0 0 333.392 1.248 10 0 EDAERN Cc1ccc(C)c(OCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173813093 441844710 /nfs/dbraw/zinc/84/47/10/441844710.db2.gz ZJBRALLSCUEINL-DLBZAZTESA-N 0 0 332.444 1.861 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@H]1N1CCOCC1 ZINC000173822452 441845480 /nfs/dbraw/zinc/84/54/80/441845480.db2.gz VBCFIWFRWGCQND-GXTWGEPZSA-N 0 0 331.372 1.727 10 0 EDAERN Cc1cccc([C@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000141501543 441852386 /nfs/dbraw/zinc/85/23/86/441852386.db2.gz LVYWSBURBHKLGS-UKRRQHHQSA-N 0 0 326.404 1.843 10 0 EDAERN O=C(Cc1cn2ccccc2n1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118671776 441900937 /nfs/dbraw/zinc/90/09/37/441900937.db2.gz SQPLKFOFNITTLL-AWEZNQCLSA-N 0 0 336.399 1.452 10 0 EDAERN Cc1cnc(NC(=O)C(=O)N2CCO[C@@H](c3nccs3)C2)s1 ZINC000123943402 441904017 /nfs/dbraw/zinc/90/40/17/441904017.db2.gz NOFOGALFLWZEJQ-SECBINFHSA-N 0 0 338.414 1.447 10 0 EDAERN C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1cccc(-n2ccnc2)c1 ZINC000174216526 441904296 /nfs/dbraw/zinc/90/42/96/441904296.db2.gz KONNISALJOOLIA-CYBMUJFWSA-N 0 0 341.415 1.840 10 0 EDAERN CC[C@@H](O)CN1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000118857420 441908189 /nfs/dbraw/zinc/90/81/89/441908189.db2.gz VQHYNHZDILMAMD-QZTJIDSGSA-N 0 0 331.460 1.395 10 0 EDAERN Cc1ccc(S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000095090149 441909275 /nfs/dbraw/zinc/90/92/75/441909275.db2.gz UIJRAFAVMNNXCE-LLVKDONJSA-N 0 0 327.406 1.568 10 0 EDAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2=O)n(C)n1 ZINC000174042137 441882704 /nfs/dbraw/zinc/88/27/04/441882704.db2.gz QAYKZQFRYUPXNV-CQSZACIVSA-N 0 0 348.428 1.202 10 0 EDAERN COc1ccc([C@H]2NC(=O)[C@@H]3COCCN32)cc1Br ZINC000093884463 441898646 /nfs/dbraw/zinc/89/86/46/441898646.db2.gz ZULNLMSAWUAYOS-JQWIXIFHSA-N 0 0 327.178 1.287 10 0 EDAERN O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174862962 441976741 /nfs/dbraw/zinc/97/67/41/441976741.db2.gz UAQBBFLCYCGCSX-CVEARBPZSA-N 0 0 344.411 1.640 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000125038183 441976934 /nfs/dbraw/zinc/97/69/34/441976934.db2.gz ZEJPDKUURYQLJE-KFWWJZLASA-N 0 0 337.420 1.208 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1noc(C)n1 ZINC000124490777 441931911 /nfs/dbraw/zinc/93/19/11/441931911.db2.gz DMNDWNNEHBCOPU-XHDPSFHLSA-N 0 0 330.388 1.839 10 0 EDAERN CCOC(=O)CSc1cncc(N2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000124524538 441934291 /nfs/dbraw/zinc/93/42/91/441934291.db2.gz LJDGBTITVXALMY-GFCCVEGCSA-N 0 0 347.444 1.859 10 0 EDAERN Nc1nc(Cl)cc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000078519035 441940862 /nfs/dbraw/zinc/94/08/62/441940862.db2.gz VJZNLPKJNBUXJQ-SSDOTTSWSA-N 0 0 337.733 1.607 10 0 EDAERN CS(=O)(=O)c1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119634803 441944456 /nfs/dbraw/zinc/94/44/56/441944456.db2.gz FRPLHJCANIUEKW-CXAGYDPISA-N 0 0 337.441 1.857 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000174719572 441960036 /nfs/dbraw/zinc/96/00/36/441960036.db2.gz YPQWRHTVJQRXHM-QWHCGFSZSA-N 0 0 332.404 1.311 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2cc(Br)ccc2F)C1 ZINC000125219578 441999257 /nfs/dbraw/zinc/99/92/57/441999257.db2.gz CPEBRWOIPXNXLH-GFCCVEGCSA-N 0 0 345.212 1.578 10 0 EDAERN CON(C)C(=O)c1ccc(NC(=O)NCCn2cc(C)cn2)cc1 ZINC000150994398 441987694 /nfs/dbraw/zinc/98/76/94/441987694.db2.gz BRLSXZLDWAIBEB-UHFFFAOYSA-N 0 0 331.376 1.647 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000151174828 442019218 /nfs/dbraw/zinc/01/92/18/442019218.db2.gz LRCMJKKQKZHXQR-NSHDSACASA-N 0 0 340.391 1.160 10 0 EDAERN CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)NC(C)(C)C ZINC000096113101 442037550 /nfs/dbraw/zinc/03/75/50/442037550.db2.gz ZTSYQKMPRRGWIQ-GOEBONIOSA-N 0 0 347.459 1.861 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(N2CCCC2=O)ccc1F ZINC000120276945 442040373 /nfs/dbraw/zinc/04/03/73/442040373.db2.gz LVTQBKLDYAKRBO-NSHDSACASA-N 0 0 343.362 1.289 10 0 EDAERN COc1ccc(C(C)(C)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000162021776 442056786 /nfs/dbraw/zinc/05/67/86/442056786.db2.gz GKFBKFYZIQHLMV-MRXNPFEDSA-N 0 0 332.444 1.906 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc([C@H](C)O)cc3)CCO2)[nH]1 ZINC000175474832 442071072 /nfs/dbraw/zinc/07/10/72/442071072.db2.gz GCKSJHQSCLVIGP-XHDPSFHLSA-N 0 0 345.403 1.450 10 0 EDAERN Cc1cnn(CCNC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000175706211 442109194 /nfs/dbraw/zinc/10/91/94/442109194.db2.gz XTJOWOQTRYACHK-INIZCTEOSA-N 0 0 340.399 1.657 10 0 EDAERN CC[C@H]1CN(Cc2cnc3nc(C)cc(C)n23)CC[N@@H+]1C[C@@H](C)O ZINC000120723312 442122852 /nfs/dbraw/zinc/12/28/52/442122852.db2.gz SEGLFATVFNIUEC-CVEARBPZSA-N 0 0 331.464 1.623 10 0 EDAERN CNC(=O)Cc1noc([C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000162997549 442137127 /nfs/dbraw/zinc/13/71/27/442137127.db2.gz XFUFZMAFKXDORW-QWRGUYRKSA-N 0 0 338.408 1.909 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000151686097 442106335 /nfs/dbraw/zinc/10/63/35/442106335.db2.gz QDLGSIQVRSPNSY-CQSZACIVSA-N 0 0 333.436 1.320 10 0 EDAERN COc1ccccc1C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)C(C)C ZINC000176052132 442167790 /nfs/dbraw/zinc/16/77/90/442167790.db2.gz ZPQHKTATOHTEFM-SJORKVTESA-N 0 0 349.475 1.892 10 0 EDAERN O=C(NCCS(=O)(=O)CC1CCC1)NC1Cc2ccccc2C1 ZINC000097140444 442173752 /nfs/dbraw/zinc/17/37/52/442173752.db2.gz JNNZBAKNMBHLNI-UHFFFAOYSA-N 0 0 336.457 1.668 10 0 EDAERN O=C(CSCc1cccnc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127262990 442186911 /nfs/dbraw/zinc/18/69/11/442186911.db2.gz BDEUKIHFYBVUCK-OAHLLOKOSA-N 0 0 331.445 1.845 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cnn(CC(C)C)c3C)CCO2)[nH]1 ZINC000164028570 442188410 /nfs/dbraw/zinc/18/84/10/442188410.db2.gz OMXVFMWAIIFDOZ-CQSZACIVSA-N 0 0 332.408 1.488 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CO)c(Br)n1 ZINC000121243924 442195781 /nfs/dbraw/zinc/19/57/81/442195781.db2.gz SPTKFPZYNXYNGB-SECBINFHSA-N 0 0 342.193 1.074 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2CCC)C1 ZINC000152326698 442198089 /nfs/dbraw/zinc/19/80/89/442198089.db2.gz LVLIZOQACSQBPJ-ZDUSSCGKSA-N 0 0 349.435 1.139 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000121290121 442200228 /nfs/dbraw/zinc/20/02/28/442200228.db2.gz SEFYTGTUCYECEZ-AWEZNQCLSA-N 0 0 331.416 1.876 10 0 EDAERN CN1CCO[C@@H](CNC(=O)COc2ccccc2Br)C1 ZINC000121322959 442203289 /nfs/dbraw/zinc/20/32/89/442203289.db2.gz XMLOXKRBZMKCLK-NSHDSACASA-N 0 0 343.221 1.275 10 0 EDAERN O=C(NCCn1cccn1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000126976668 442158715 /nfs/dbraw/zinc/15/87/15/442158715.db2.gz PPGDZPVJPFYTLQ-IUODEOHRSA-N 0 0 336.342 1.679 10 0 EDAERN O=S1(=O)CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000120975361 442159732 /nfs/dbraw/zinc/15/97/32/442159732.db2.gz DMNJDHOHVBNCOP-ZDUSSCGKSA-N 0 0 328.821 1.563 10 0 EDAERN Cc1nc(C(C)(C)NC(=O)NC[C@H]2CN(C)CCO2)sc1C ZINC000152909490 442250707 /nfs/dbraw/zinc/25/07/07/442250707.db2.gz ZLRSVMFMXLOFTR-LBPRGKRZSA-N 0 0 326.466 1.625 10 0 EDAERN C[C@H](CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)Cn1ccnc1 ZINC000176384662 442216849 /nfs/dbraw/zinc/21/68/49/442216849.db2.gz ZXXWNSSQSQYEEL-KGLIPLIRSA-N 0 0 336.436 1.892 10 0 EDAERN C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1ccccc1F ZINC000176435322 442221398 /nfs/dbraw/zinc/22/13/98/442221398.db2.gz BHFIOWMFMJSUHL-OLZOCXBDSA-N 0 0 325.384 1.223 10 0 EDAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127805734 442226354 /nfs/dbraw/zinc/22/63/54/442226354.db2.gz GZMGFGIKEGXNPG-CHWSQXEVSA-N 0 0 347.444 1.397 10 0 EDAERN CCCCCC[C@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000169319094 442226560 /nfs/dbraw/zinc/22/65/60/442226560.db2.gz QAHVMHDNURLFLM-PMPSAXMXSA-N 0 0 336.432 1.457 10 0 EDAERN COCCCOc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000176475919 442226808 /nfs/dbraw/zinc/22/68/08/442226808.db2.gz QWFIQTFEBKEXPW-AWEZNQCLSA-N 0 0 330.388 1.438 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)C2=COCCO2)N2CCOCC2)s1 ZINC000176550549 442233084 /nfs/dbraw/zinc/23/30/84/442233084.db2.gz MBYZSPJWYBXPTB-CYBMUJFWSA-N 0 0 338.429 1.434 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1nc(C)ccc1OC)CC2 ZINC000128045945 442241628 /nfs/dbraw/zinc/24/16/28/442241628.db2.gz FZYMWYVDPFCQEC-LLVKDONJSA-N 0 0 330.392 1.689 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCCOC[C@H]3CCOC3)C2)cn1 ZINC000128399536 442264034 /nfs/dbraw/zinc/26/40/34/442264034.db2.gz GIRAFOPGYUBQFD-CABCVRRESA-N 0 0 336.436 1.362 10 0 EDAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)Cc1ccccc1 ZINC000128396492 442264050 /nfs/dbraw/zinc/26/40/50/442264050.db2.gz BSKXRXPAKWUIGC-INIZCTEOSA-N 0 0 346.456 1.907 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3cccc(OCCOC)c3)CCO2)[nH]1 ZINC000129159198 442304381 /nfs/dbraw/zinc/30/43/81/442304381.db2.gz GJWUHMDDFYGXDT-INIZCTEOSA-N 0 0 346.431 1.966 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000170822984 442269275 /nfs/dbraw/zinc/26/92/75/442269275.db2.gz NEDQMGOUKNEXPS-KCJUWKMLSA-N 0 0 343.305 1.442 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)[C@@H](C)CS(C)(=O)=O)no1 ZINC000176923350 442273888 /nfs/dbraw/zinc/27/38/88/442273888.db2.gz QZTVJOMODLBWIF-WDEREUQCSA-N 0 0 329.422 1.537 10 0 EDAERN CCCN(CCO)C(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000128714557 442284238 /nfs/dbraw/zinc/28/42/38/442284238.db2.gz MTGGHYUCYVJDPU-MRXNPFEDSA-N 0 0 336.432 1.681 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000170924695 442290182 /nfs/dbraw/zinc/29/01/82/442290182.db2.gz ZLBHOSBEOXKXNQ-ZDUSSCGKSA-N 0 0 329.347 1.418 10 0 EDAERN C[C@@H]1CCCN(c2cc(N3CCO[C@H](Cn4cccn4)C3)ncn2)C1 ZINC000170999843 442297365 /nfs/dbraw/zinc/29/73/65/442297365.db2.gz IPVUQRUGKDJGME-CVEARBPZSA-N 0 0 342.447 1.815 10 0 EDAERN O=C(CNC(=O)c1ccc2c(c1)CCC2)N1CC[C@@]2(CCOC2)C1 ZINC000153772568 442301767 /nfs/dbraw/zinc/30/17/67/442301767.db2.gz KTKUVIDGHQLILK-LJQANCHMSA-N 0 0 328.412 1.544 10 0 EDAERN CC(C)Sc1ccccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000129510683 442320690 /nfs/dbraw/zinc/32/06/90/442320690.db2.gz ZVDAFFKCXXXQRS-CQSZACIVSA-N 0 0 338.473 1.610 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000171182711 442323435 /nfs/dbraw/zinc/32/34/35/442323435.db2.gz AROISXQGRXHAIS-CQSZACIVSA-N 0 0 329.360 1.869 10 0 EDAERN CC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n(C)c1 ZINC000154334775 442333689 /nfs/dbraw/zinc/33/36/89/442333689.db2.gz PXXMLFWYSQBPNK-JTQLQIEISA-N 0 0 349.412 1.366 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000171288658 442338981 /nfs/dbraw/zinc/33/89/81/442338981.db2.gz ANTSPUQKRYIOBX-AWEZNQCLSA-N 0 0 332.429 1.194 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000171288989 442339085 /nfs/dbraw/zinc/33/90/85/442339085.db2.gz VWCBYVMKHTXOIE-GFCCVEGCSA-N 0 0 337.470 1.861 10 0 EDAERN CC[C@@](C)(CCO)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000154613413 442348537 /nfs/dbraw/zinc/34/85/37/442348537.db2.gz QCMDECSTJYINGR-NHYWBVRUSA-N 0 0 325.413 1.110 10 0 EDAERN COc1c(CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)nn1C ZINC000153841441 442306623 /nfs/dbraw/zinc/30/66/23/442306623.db2.gz IVHRIBXCACIVLK-SWLSCSKDSA-N 0 0 346.435 1.726 10 0 EDAERN CCc1nnc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1C ZINC000171103500 442312750 /nfs/dbraw/zinc/31/27/50/442312750.db2.gz ACFPSAMJRHQYKZ-AWEZNQCLSA-N 0 0 346.410 1.913 10 0 EDAERN Cc1nc(C[C@H]2CCCN([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)no1 ZINC000171653896 442367183 /nfs/dbraw/zinc/36/71/83/442367183.db2.gz WXALTQHEMZFARB-CMPLNLGQSA-N 0 0 346.439 1.227 10 0 EDAERN CCc1[nH]c(C(=O)N2CCC[C@H](n3cncn3)C2)c(C)c1C(=O)OC ZINC000171663485 442367497 /nfs/dbraw/zinc/36/74/97/442367497.db2.gz SXSJZOYXMLPTNZ-LBPRGKRZSA-N 0 0 345.403 1.741 10 0 EDAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H](n2cncn2)C1 ZINC000171665506 442368031 /nfs/dbraw/zinc/36/80/31/442368031.db2.gz PNGGODVESKAEIP-YVARQFDVSA-N 0 0 326.356 1.884 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1c[nH]c2ncccc12 ZINC000155023090 442371202 /nfs/dbraw/zinc/37/12/02/442371202.db2.gz MDUGIGQTCLDRHI-ZDUSSCGKSA-N 0 0 340.387 1.495 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCC(C)(O)CC2)[C@@H]1c1ccccc1 ZINC000177780363 442383418 /nfs/dbraw/zinc/38/34/18/442383418.db2.gz SHCGHVAUHWKBDC-RDJZCZTQSA-N 0 0 330.428 1.970 10 0 EDAERN O=C(CN1CCCCCCC1=O)N1CCO[C@H](c2nccs2)C1 ZINC000171853871 442384906 /nfs/dbraw/zinc/38/49/06/442384906.db2.gz JLDFPXHVBIRGHU-ZDUSSCGKSA-N 0 0 337.445 1.836 10 0 EDAERN Cc1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C(N)=O ZINC000177827439 442388560 /nfs/dbraw/zinc/38/85/60/442388560.db2.gz XATBFCLILZEXOQ-CJNGLKHVSA-N 0 0 346.431 1.278 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCN3CCOC(C)(C)C3)C2)c1 ZINC000171906276 442389277 /nfs/dbraw/zinc/38/92/77/442389277.db2.gz RIWKLDDPCFLTNV-INIZCTEOSA-N 0 0 349.479 1.649 10 0 EDAERN Cc1cccc2nc(CNC(=O)[C@H](C)NC(=O)c3ccco3)cn21 ZINC000171939819 442392362 /nfs/dbraw/zinc/39/23/62/442392362.db2.gz DMCVZCUWGIKVCV-LBPRGKRZSA-N 0 0 326.356 1.670 10 0 EDAERN CC[C@H](C)NC(=O)[C@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171561278 442357300 /nfs/dbraw/zinc/35/73/00/442357300.db2.gz FFWVMEBGTABHDM-BQFCYCMXSA-N 0 0 333.476 1.641 10 0 EDAERN CNc1ncc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)s1 ZINC000154833694 442359997 /nfs/dbraw/zinc/35/99/97/442359997.db2.gz OSGCJECAZVUNDB-UHFFFAOYSA-N 0 0 336.421 1.224 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177602313 442361830 /nfs/dbraw/zinc/36/18/30/442361830.db2.gz KCCQACDBJHSXBZ-CHWSQXEVSA-N 0 0 349.435 1.876 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)NC1(CO)CCCC1 ZINC000178083921 442406509 /nfs/dbraw/zinc/40/65/09/442406509.db2.gz NSMYUIBUQGRQCQ-CYBMUJFWSA-N 0 0 338.429 1.509 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)NCc3cc(C)no3)CC2)n1 ZINC000172257789 442431651 /nfs/dbraw/zinc/43/16/51/442431651.db2.gz ZAFFRPGFFQYQDL-UHFFFAOYSA-N 0 0 346.391 1.204 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1c(F)cccc1OC)C(C)C ZINC000178457446 442435914 /nfs/dbraw/zinc/43/59/14/442435914.db2.gz MKZFDMQQFUZZSA-QMTHXVAHSA-N 0 0 325.384 1.965 10 0 EDAERN COCCCCC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172331070 442445311 /nfs/dbraw/zinc/44/53/11/442445311.db2.gz GCWXRTGWVBNQJX-UHFFFAOYSA-N 0 0 336.436 1.798 10 0 EDAERN CCC(CC)[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)N1CCOCC1 ZINC000178586670 442445680 /nfs/dbraw/zinc/44/56/80/442445680.db2.gz BLDPUHFGIWEBSN-CABCVRRESA-N 0 0 327.469 1.010 10 0 EDAERN CCOC1CC(CCNC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)C1 ZINC000191667770 442486445 /nfs/dbraw/zinc/48/64/45/442486445.db2.gz KEEMVQTXVBTEBS-AQFXKWCLSA-N 0 0 341.496 1.944 10 0 EDAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCC[C@@H]1c1ccco1 ZINC000191673181 442487292 /nfs/dbraw/zinc/48/72/92/442487292.db2.gz QTTDFCVNLXQMOL-OAHLLOKOSA-N 0 0 340.383 1.588 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@@H](O)c3cccc(OC)c3)CCO2)cn1 ZINC000191711344 442495311 /nfs/dbraw/zinc/49/53/11/442495311.db2.gz UFQZOTRDXLOPIJ-SJORKVTESA-N 0 0 345.399 1.545 10 0 EDAERN CC(C)[C@H](O)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172597435 442499484 /nfs/dbraw/zinc/49/94/84/442499484.db2.gz WOMJGBPJBBGOIL-BXUZGUMPSA-N 0 0 328.434 1.467 10 0 EDAERN COc1c(C)cnc(CN(C)C(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000172602451 442500440 /nfs/dbraw/zinc/50/04/40/442500440.db2.gz HTDXEKRKTGVSEQ-ZDUSSCGKSA-N 0 0 344.419 1.455 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCNC(=O)C2CC2)C1 ZINC000172436575 442461452 /nfs/dbraw/zinc/46/14/52/442461452.db2.gz BNZICTAFHQRYRJ-CQSZACIVSA-N 0 0 333.436 1.318 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCCC(=O)NC2CC2)C1 ZINC000172446566 442463650 /nfs/dbraw/zinc/46/36/50/442463650.db2.gz DGBSQGFLVNHLRF-HNNXBMFYSA-N 0 0 347.463 1.851 10 0 EDAERN CCn1cc(C2CCN(C(=O)NC3CN(C(=O)OC)C3)CC2)cn1 ZINC000178751034 442474581 /nfs/dbraw/zinc/47/45/81/442474581.db2.gz YMSLWPUCQGTVPF-UHFFFAOYSA-N 0 0 335.408 1.243 10 0 EDAERN C[C@H](NC(=O)NC[C@]1(O)CCOC1)c1cccc(-n2ccnc2)c1 ZINC000179609701 442481001 /nfs/dbraw/zinc/48/10/01/442481001.db2.gz QBLHXVZTZKZBOD-SUMWQHHRSA-N 0 0 330.388 1.384 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cc2cn(C)nc2C(=O)OCC)C1 ZINC000186202443 442484797 /nfs/dbraw/zinc/48/47/97/442484797.db2.gz QBIPBISVFNISMC-CQSZACIVSA-N 0 0 336.436 1.478 10 0 EDAERN C[C@@H](NCc1nccn1C(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000180065939 442535179 /nfs/dbraw/zinc/53/51/79/442535179.db2.gz MWHFWGPEYQBDMR-SECBINFHSA-N 0 0 330.360 1.776 10 0 EDAERN CC[S@@](=O)c1ccccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172766370 442538969 /nfs/dbraw/zinc/53/89/69/442538969.db2.gz LWFLYYRPLMYBPD-LFVRLGFBSA-N 0 0 336.457 1.361 10 0 EDAERN OC[C@H]1CCCN1c1cc(NCCCOC2CCOCC2)ncn1 ZINC000172768205 442539455 /nfs/dbraw/zinc/53/94/55/442539455.db2.gz RCGPGGZDDSRWIV-CQSZACIVSA-N 0 0 336.436 1.435 10 0 EDAERN CCCNC(=O)CCCC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186467215 442539607 /nfs/dbraw/zinc/53/96/07/442539607.db2.gz CTIMRZIULBLZTK-CABCVRRESA-N 0 0 340.464 1.773 10 0 EDAERN C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCCSC(F)(F)F ZINC000191976795 442552434 /nfs/dbraw/zinc/55/24/34/442552434.db2.gz STBGVPJAYUNKNE-MRVPVSSYSA-N 0 0 334.385 1.458 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000180185772 442555747 /nfs/dbraw/zinc/55/57/47/442555747.db2.gz JQQWISHAPMRRAK-RUXDESIVSA-N 0 0 348.447 1.812 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3csc(NC(C)=O)n3)CCO2)cn1 ZINC000191797528 442513584 /nfs/dbraw/zinc/51/35/84/442513584.db2.gz ZOZLAYUNSFBYEM-CYBMUJFWSA-N 0 0 349.416 1.532 10 0 EDAERN CCOC[C@@H](NC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1)C(C)C ZINC000191808363 442515514 /nfs/dbraw/zinc/51/55/14/442515514.db2.gz HWPFLPTYCSBNSX-OLZOCXBDSA-N 0 0 339.440 1.511 10 0 EDAERN O=C(C[C@H]1CCCN1CC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000134841398 442527922 /nfs/dbraw/zinc/52/79/22/442527922.db2.gz TXAAGEYPBWHMQR-MRXNPFEDSA-N 0 0 334.391 1.722 10 0 EDAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C(C)C ZINC000178929832 442528700 /nfs/dbraw/zinc/52/87/00/442528700.db2.gz JAOJLCBWIOYTAF-QMTHXVAHSA-N 0 0 326.418 1.059 10 0 EDAERN Cc1cc(OCC(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1Cl ZINC000172745525 442531624 /nfs/dbraw/zinc/53/16/24/442531624.db2.gz NQOXMGGDYDICGJ-CQSZACIVSA-N 0 0 338.835 1.960 10 0 EDAERN Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747568 442531950 /nfs/dbraw/zinc/53/19/50/442531950.db2.gz JJLCEWJIKLFIKF-OAHLLOKOSA-N 0 0 327.428 1.952 10 0 EDAERN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000172753162 442533713 /nfs/dbraw/zinc/53/37/13/442533713.db2.gz RECVKTBPRKQNNI-KGLIPLIRSA-N 0 0 349.397 1.194 10 0 EDAERN COC(=O)c1cccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000135312673 442579382 /nfs/dbraw/zinc/57/93/82/442579382.db2.gz KLWVEVPNMZFNOB-NSHDSACASA-N 0 0 328.372 1.892 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3ccc(C)c(O)c3)CCO2)n1 ZINC000180335479 442582291 /nfs/dbraw/zinc/58/22/91/442582291.db2.gz RVLYZPCFOXOGGN-KRWDZBQOSA-N 0 0 343.427 1.984 10 0 EDAERN CC(C)C[C@@H](C)N(C)C(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186676151 442588460 /nfs/dbraw/zinc/58/84/60/442588460.db2.gz FFJPVCLOXFSCRC-CQSZACIVSA-N 0 0 327.469 1.360 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cnc(C)nc3C)CC2)no1 ZINC000180373060 442589246 /nfs/dbraw/zinc/58/92/46/442589246.db2.gz NKVFTSGGNDNSKW-UHFFFAOYSA-N 0 0 330.392 1.133 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(F)ccc1OC ZINC000186693414 442593184 /nfs/dbraw/zinc/59/31/84/442593184.db2.gz NHWCRTLZFIMFSE-ZDUSSCGKSA-N 0 0 348.378 1.766 10 0 EDAERN C[C@H](NC(=O)CCNC(=O)c1ccco1)c1nnc2n1CCCC2 ZINC000135434299 442595404 /nfs/dbraw/zinc/59/54/04/442595404.db2.gz MFWPIADQSLSHOE-NSHDSACASA-N 0 0 331.376 1.205 10 0 EDAERN O=C(N[C@@H]1CCOC1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000179203014 442596197 /nfs/dbraw/zinc/59/61/97/442596197.db2.gz DKQQMHQTXNTYPK-ABAIWWIYSA-N 0 0 345.424 1.588 10 0 EDAERN CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000192145226 442602907 /nfs/dbraw/zinc/60/29/07/442602907.db2.gz ONGPATFYHMHGIV-WMZOPIPTSA-N 0 0 347.459 1.687 10 0 EDAERN COc1ccc(-n2nnc(C(=O)N[C@H]3CCCC[C@@H]3CO)c2C)cc1 ZINC000179248242 442605141 /nfs/dbraw/zinc/60/51/41/442605141.db2.gz CISMUVAJOALGFU-CJNGLKHVSA-N 0 0 344.415 1.865 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2Cl)cc1 ZINC000135862598 442636724 /nfs/dbraw/zinc/63/67/24/442636724.db2.gz OPQHCQPFIZMSPX-UHFFFAOYSA-N 0 0 326.765 1.889 10 0 EDAERN C[C@H](CCC(=O)N[C@H]1CCc2ncnn2C1)NC(=O)OC(C)(C)C ZINC000192391348 442644112 /nfs/dbraw/zinc/64/41/12/442644112.db2.gz ZWPSCDJECGDNGO-NEPJUHHUSA-N 0 0 337.424 1.403 10 0 EDAERN CC1=C(C(=O)N[C@@H]2COc3ccccc32)[C@H](C)n2ncnc2N1C ZINC000192196050 442610813 /nfs/dbraw/zinc/61/08/13/442610813.db2.gz NWZOPCHXVUYTGQ-WCQYABFASA-N 0 0 325.372 1.813 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)Nc1cnns1)C(C)C ZINC000192218491 442615420 /nfs/dbraw/zinc/61/54/20/442615420.db2.gz QVASMYQIQDNZCP-CYBMUJFWSA-N 0 0 334.401 1.940 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135801846 442634744 /nfs/dbraw/zinc/63/47/44/442634744.db2.gz WHEIBVHNPCZIKO-AWEZNQCLSA-N 0 0 333.413 1.683 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](CO)C2)C1 ZINC000192683312 442676500 /nfs/dbraw/zinc/67/65/00/442676500.db2.gz DRPVHJANJXTRDG-KBPBESRZSA-N 0 0 326.437 1.864 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cccc(C)c2F)C[C@H]1C ZINC000181295161 442689027 /nfs/dbraw/zinc/68/90/27/442689027.db2.gz XWISUAKOJXLXGJ-CYBMUJFWSA-N 0 0 330.425 1.475 10 0 EDAERN CO[C@H](C)CCC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000181478853 442699554 /nfs/dbraw/zinc/69/95/54/442699554.db2.gz XBZUYAMVZCPMHI-SJORKVTESA-N 0 0 341.496 1.055 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000192958550 442701280 /nfs/dbraw/zinc/70/12/80/442701280.db2.gz VDWQPWADTWSASD-LLVKDONJSA-N 0 0 347.806 1.732 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCc1cc(C(N)=O)co1 ZINC000188003555 442702480 /nfs/dbraw/zinc/70/24/80/442702480.db2.gz XPDLHOJOYGGERL-CQSZACIVSA-N 0 0 345.403 1.776 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCc3cc(C(N)=O)co3)CC2)cn1 ZINC000188004257 442702516 /nfs/dbraw/zinc/70/25/16/442702516.db2.gz GXCHRRYGOCTEIT-UHFFFAOYSA-N 0 0 345.403 1.684 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000188067420 442707777 /nfs/dbraw/zinc/70/77/77/442707777.db2.gz MBWGKTKXELBZQQ-CYBMUJFWSA-N 0 0 345.443 1.451 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188022101 442703312 /nfs/dbraw/zinc/70/33/12/442703312.db2.gz ICRKZNGALIRHTR-UHFFFAOYSA-N 0 0 343.427 1.705 10 0 EDAERN COC(=O)c1coc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000181570770 442704379 /nfs/dbraw/zinc/70/43/79/442704379.db2.gz QPXUTGGCRCGSJU-SNVBAGLBSA-N 0 0 338.385 1.564 10 0 EDAERN Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)nnn1Cc1ccc(F)cc1 ZINC000192532282 442659358 /nfs/dbraw/zinc/65/93/58/442659358.db2.gz XCZQZOOJEHXBAO-INIZCTEOSA-N 0 0 343.406 1.694 10 0 EDAERN CS(=O)(=O)N1CC(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000187264065 442665467 /nfs/dbraw/zinc/66/54/67/442665467.db2.gz JPMROHLZUFYSBX-RYUDHWBXSA-N 0 0 344.383 1.076 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000188139417 442715906 /nfs/dbraw/zinc/71/59/06/442715906.db2.gz LKRWXTGZAPHLIZ-VIFPVBQESA-N 0 0 327.331 1.182 10 0 EDAERN C[C@@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccs1 ZINC000193188819 442721308 /nfs/dbraw/zinc/72/13/08/442721308.db2.gz NHJHMZHLQZOZEP-GHMZBOCLSA-N 0 0 331.463 1.532 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2c(C)cccc2C)CC1 ZINC000182010051 442727623 /nfs/dbraw/zinc/72/76/23/442727623.db2.gz VQDIVEJUXAFQEO-KRWDZBQOSA-N 0 0 333.476 1.944 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC000193272782 442728175 /nfs/dbraw/zinc/72/81/75/442728175.db2.gz AZHKOHMVFIFCKP-JTQLQIEISA-N 0 0 333.779 1.423 10 0 EDAERN Cc1cccc(C[C@@H](CO)NC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000188253036 442729346 /nfs/dbraw/zinc/72/93/46/442729346.db2.gz ZPEXPWAVKCWTGC-LSDHHAIUSA-N 0 0 329.404 1.324 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000193361945 442736269 /nfs/dbraw/zinc/73/62/69/442736269.db2.gz KEUSKPXVEAMCJO-HZPDHXFCSA-N 0 0 334.416 1.717 10 0 EDAERN CCCCOC[C@@H](O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000193379714 442737369 /nfs/dbraw/zinc/73/73/69/442737369.db2.gz RQNWISFAXINNJX-IRXDYDNUSA-N 0 0 325.453 1.378 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000193392545 442738470 /nfs/dbraw/zinc/73/84/70/442738470.db2.gz NZOKWXHYYJPKTC-MELADBBJSA-N 0 0 326.437 1.911 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000188455062 442752023 /nfs/dbraw/zinc/75/20/23/442752023.db2.gz RBSXJFOJUKYEGE-NVXWUHKLSA-N 0 0 348.443 1.461 10 0 EDAERN COCCOc1ccccc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188484324 442755433 /nfs/dbraw/zinc/75/54/33/442755433.db2.gz HIODJFYZLGNTQK-UHFFFAOYSA-N 0 0 332.400 1.453 10 0 EDAERN CCc1nc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)sc1C ZINC000193057156 442708786 /nfs/dbraw/zinc/70/87/86/442708786.db2.gz DPKPIJMPDKBUBG-NSHDSACASA-N 0 0 348.432 1.408 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C[C@H]1CCOC1)C1CC1)CC2 ZINC000181734920 442714057 /nfs/dbraw/zinc/71/40/57/442714057.db2.gz FSJMVXPTYYXLMK-KGLIPLIRSA-N 0 0 347.463 1.927 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(CC(=O)OC)c1 ZINC000188508762 442758206 /nfs/dbraw/zinc/75/82/06/442758206.db2.gz LYQFZURQFUGQKB-CQSZACIVSA-N 0 0 342.399 1.821 10 0 EDAERN CC(C)NC(=O)c1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188513475 442758660 /nfs/dbraw/zinc/75/86/60/442758660.db2.gz ZMJWWWYWVNGFPX-UHFFFAOYSA-N 0 0 343.427 1.566 10 0 EDAERN CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188518301 442759378 /nfs/dbraw/zinc/75/93/78/442759378.db2.gz FMJGHOUFMBTSOP-ZYHUDNBSSA-N 0 0 330.837 1.732 10 0 EDAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188525696 442760437 /nfs/dbraw/zinc/76/04/37/442760437.db2.gz LVSSVSPFQNCDHF-CYBMUJFWSA-N 0 0 344.411 1.784 10 0 EDAERN CCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182388205 442762866 /nfs/dbraw/zinc/76/28/66/442762866.db2.gz BVPADXSFKKZBJW-LLVKDONJSA-N 0 0 330.454 1.158 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2SCCc3ccccc32)C[C@H]1C ZINC000246739293 442808982 /nfs/dbraw/zinc/80/89/82/442808982.db2.gz FZOSGGKMQPQALN-JKIFEVAISA-N 0 0 334.485 1.931 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCOCC(F)F)[C@@H]1c1ccc(F)cc1 ZINC000188771204 442809471 /nfs/dbraw/zinc/80/94/71/442809471.db2.gz AQOZJWRJIOAWFL-DOMZBBRYSA-N 0 0 344.333 1.743 10 0 EDAERN CCNc1ncc(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)s1 ZINC000182737476 442816441 /nfs/dbraw/zinc/81/64/41/442816441.db2.gz XHWYTOCVLYRCFB-VXGBXAGGSA-N 0 0 326.466 1.492 10 0 EDAERN CC(C)OCCCCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000182756536 442820363 /nfs/dbraw/zinc/82/03/63/442820363.db2.gz SWQMOVKAAJNQAA-CVEARBPZSA-N 0 0 327.469 1.554 10 0 EDAERN CCCOc1ncccc1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188824994 442822186 /nfs/dbraw/zinc/82/21/86/442822186.db2.gz ULMKYHRRBFHXPY-UHFFFAOYSA-N 0 0 346.431 1.681 10 0 EDAERN CCCOc1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000188843991 442826401 /nfs/dbraw/zinc/82/64/01/442826401.db2.gz YWFAMQZOIMDDMY-UHFFFAOYSA-N 0 0 346.431 1.681 10 0 EDAERN CC(C)(C)OCc1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)no1 ZINC000188861155 442829741 /nfs/dbraw/zinc/82/97/41/442829741.db2.gz AVULZMLHWIPAGA-LLVKDONJSA-N 0 0 348.407 1.395 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCN1C(=O)CCc2ccccc21 ZINC000188900788 442838824 /nfs/dbraw/zinc/83/88/24/442838824.db2.gz AFFQLGVOGVMEHD-CYBMUJFWSA-N 0 0 329.400 1.093 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(Sc2ccccc2)CC1 ZINC000188973458 442852184 /nfs/dbraw/zinc/85/21/84/442852184.db2.gz CUYPNDWTJGQIOF-UKRRQHHQSA-N 0 0 334.441 1.409 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000189023015 442863061 /nfs/dbraw/zinc/86/30/61/442863061.db2.gz MAHVJQKAWCXFCJ-KZNAEPCWSA-N 0 0 345.443 1.096 10 0 EDAERN O=C(NCCc1ccc2c(c1)OCO2)N[C@@H]1CCCn2ncnc21 ZINC000177345103 318444246 /nfs/dbraw/zinc/44/42/46/318444246.db2.gz DYVKEYSQYPCVTC-GFCCVEGCSA-N 0 0 329.360 1.384 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cn(C)c(=O)cc2C)cc1F ZINC000183123741 442883998 /nfs/dbraw/zinc/88/39/98/442883998.db2.gz OCTYDKPJGVJRDF-LBPRGKRZSA-N 0 0 345.374 1.957 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000189158461 442888056 /nfs/dbraw/zinc/88/80/56/442888056.db2.gz JVAWYVDTGDACDC-CYBMUJFWSA-N 0 0 340.383 1.883 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000248495618 442897455 /nfs/dbraw/zinc/89/74/55/442897455.db2.gz QKMMBFWGBWBLIF-SJORKVTESA-N 0 0 340.512 1.349 10 0 EDAERN Cc1ccccc1OCCNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000194512538 442909454 /nfs/dbraw/zinc/90/94/54/442909454.db2.gz QAFQVSLTSUQIAI-INIZCTEOSA-N 0 0 341.411 1.770 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000189282620 442912895 /nfs/dbraw/zinc/91/28/95/442912895.db2.gz FQZFTQQAUMXJNN-IAGOWNOFSA-N 0 0 332.400 1.113 10 0 EDAERN Cn1ccnc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1=O ZINC000189296935 442915212 /nfs/dbraw/zinc/91/52/12/442915212.db2.gz ANLYTUWTHSUUCY-RYUDHWBXSA-N 0 0 334.401 1.082 10 0 EDAERN O=C(CSCC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189371328 442932150 /nfs/dbraw/zinc/93/21/50/442932150.db2.gz OMUWQRQHFUSBAC-UHFFFAOYSA-N 0 0 332.425 1.340 10 0 EDAERN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194750082 442949919 /nfs/dbraw/zinc/94/99/19/442949919.db2.gz CUUOAQAKMRFJIC-CQSZACIVSA-N 0 0 348.834 1.895 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Cn3ccc(C)cc3=O)C2)n1 ZINC000194720613 442942353 /nfs/dbraw/zinc/94/23/53/442942353.db2.gz KZEKKWNWYHIMSS-INIZCTEOSA-N 0 0 343.431 1.304 10 0 EDAERN COc1ccc([C@@H](NC(=O)CN2CCCNC(=O)[C@H]2C)C2CC2)cc1 ZINC000248990468 442943169 /nfs/dbraw/zinc/94/31/69/442943169.db2.gz FQMINHAQVCPNRB-ACJLOTCBSA-N 0 0 345.443 1.473 10 0 EDAERN CN1CCO[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000194733922 442944809 /nfs/dbraw/zinc/94/48/09/442944809.db2.gz HJJVYALALBDZNR-SNVBAGLBSA-N 0 0 338.351 1.314 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000189450888 442957249 /nfs/dbraw/zinc/95/72/49/442957249.db2.gz VQUWJVWBCZAUDE-KRWDZBQOSA-N 0 0 345.443 1.029 10 0 EDAERN COc1cccc2[nH]cc(CC(=O)N3CC(NC(=O)C4CC4)C3)c21 ZINC000189457209 442959434 /nfs/dbraw/zinc/95/94/34/442959434.db2.gz WMHZAAPIARYKOI-UHFFFAOYSA-N 0 0 327.384 1.456 10 0 EDAERN C[C@H](c1nnnn1C)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000249293363 442964579 /nfs/dbraw/zinc/96/45/79/442964579.db2.gz MQMANCNAVQXIGB-MROQNXINSA-N 0 0 336.440 1.506 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(Br)ccc2F)C1)C1CC1 ZINC000189434372 442953058 /nfs/dbraw/zinc/95/30/58/442953058.db2.gz CWBBQSAYTORWBD-UHFFFAOYSA-N 0 0 341.180 1.939 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)nc1 ZINC000195288319 443005385 /nfs/dbraw/zinc/00/53/85/443005385.db2.gz GOJLQSNAZSNVTB-LBPRGKRZSA-N 0 0 343.387 1.328 10 0 EDAERN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)N[C@@H]1COc2ccccc21 ZINC000184621044 443050132 /nfs/dbraw/zinc/05/01/32/443050132.db2.gz KKYRLZXUJPUUSG-KGLIPLIRSA-N 0 0 344.392 1.948 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000189871480 443021463 /nfs/dbraw/zinc/02/14/63/443021463.db2.gz VQFMIXKZARDWKX-IAGOWNOFSA-N 0 0 332.444 1.625 10 0 EDAERN Cc1cc(CNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000224230406 443097486 /nfs/dbraw/zinc/09/74/86/443097486.db2.gz CADDASQAJUASDY-UHFFFAOYSA-N 0 0 327.388 1.943 10 0 EDAERN CCN1C(=O)CCc2cc(NC(=O)NC[C@H]3CN(C)CCO3)ccc21 ZINC000184678924 443057746 /nfs/dbraw/zinc/05/77/46/443057746.db2.gz OAZYGTUYHZUKBC-HNNXBMFYSA-N 0 0 346.431 1.438 10 0 EDAERN O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccccc1C(F)(F)F ZINC000184741215 443070648 /nfs/dbraw/zinc/07/06/48/443070648.db2.gz ZQLYNODDCWXJEP-GHMZBOCLSA-N 0 0 332.322 1.462 10 0 EDAERN O=C(/C=C\c1cncc(F)c1)N1CCCN(c2cccnn2)CC1 ZINC000255439832 443099080 /nfs/dbraw/zinc/09/90/80/443099080.db2.gz IGWVQUKYPGPMRA-PLNGDYQASA-N 0 0 327.363 1.763 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](OC)c2ccccc2)CC1 ZINC000184799725 443077792 /nfs/dbraw/zinc/07/77/92/443077792.db2.gz VNXHZRYPZWFGKB-DLBZAZTESA-N 0 0 335.448 1.472 10 0 EDAERN CSCCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000223062085 443084222 /nfs/dbraw/zinc/08/42/22/443084222.db2.gz GARXFCOEFOXZCE-HUUCEWRRSA-N 0 0 325.430 1.585 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccccc2Cl)CC1 ZINC000184973284 443109102 /nfs/dbraw/zinc/10/91/02/443109102.db2.gz BREPYUFEXUWVJK-OAHLLOKOSA-N 0 0 339.867 1.981 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000190484264 443117399 /nfs/dbraw/zinc/11/73/99/443117399.db2.gz QFMHTZMRWNVXIV-UONOGXRCSA-N 0 0 337.217 1.900 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3F)CCO2)cn1 ZINC000190497579 443121097 /nfs/dbraw/zinc/12/10/97/443121097.db2.gz NISLFFLJEZGYPW-HNNXBMFYSA-N 0 0 346.362 1.581 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000190504477 443121889 /nfs/dbraw/zinc/12/18/89/443121889.db2.gz NGMMAFAWNZNXSI-UHFFFAOYSA-N 0 0 327.340 1.237 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(=O)[O-] ZINC000185056683 443127403 /nfs/dbraw/zinc/12/74/03/443127403.db2.gz JBHDIPZBFZGEFS-GDBMZVCRSA-N 0 0 333.432 1.472 10 0 EDAERN Cc1noc([C@@H]2COCCN2Cc2cc(=O)oc3cc(O)ccc23)n1 ZINC000185069780 443129620 /nfs/dbraw/zinc/12/96/20/443129620.db2.gz VBFHBUSXSBASJT-AWEZNQCLSA-N 0 0 343.339 1.764 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000185294612 443177978 /nfs/dbraw/zinc/17/79/78/443177978.db2.gz XRLAFAOOYBGKJE-UHFFFAOYSA-N 0 0 331.199 1.509 10 0 EDAERN COCCN1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1=O ZINC000190770861 443180430 /nfs/dbraw/zinc/18/04/30/443180430.db2.gz XICZKAQYCYWZLG-JKSUJKDBSA-N 0 0 347.459 1.433 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000190676867 443161790 /nfs/dbraw/zinc/16/17/90/443161790.db2.gz VMAXUUSVPIJUBO-JTQLQIEISA-N 0 0 339.342 1.474 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCC2(CO)CCC2)C12CCOCC2 ZINC000185668215 443235521 /nfs/dbraw/zinc/23/55/21/443235521.db2.gz YRWJRXMQOWMABY-ZIAGYGMSSA-N 0 0 326.437 1.422 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCCC(=O)NC3CC3)CCO2)cn1 ZINC000191111102 443242697 /nfs/dbraw/zinc/24/26/97/443242697.db2.gz YFTQJEGFZWUCKD-OAHLLOKOSA-N 0 0 349.435 1.045 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)CCc2cccn2C)C[C@H]1C ZINC000245667796 443243195 /nfs/dbraw/zinc/24/31/95/443243195.db2.gz FAIBDEXTBFDKFG-HZPDHXFCSA-N 0 0 336.480 1.708 10 0 EDAERN COC1(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CCCCC1 ZINC000185925297 443284431 /nfs/dbraw/zinc/28/44/31/443284431.db2.gz MLZAQCKFDUOWID-JKSUJKDBSA-N 0 0 339.480 1.698 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1N1CCOCC1 ZINC000185936327 443287698 /nfs/dbraw/zinc/28/76/98/443287698.db2.gz HOQRICDXHGAMQY-CZUORRHYSA-N 0 0 341.415 1.264 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N(C)Cc2cnn(C)c2)C12CCOCC2 ZINC000185959516 443290961 /nfs/dbraw/zinc/29/09/61/443290961.db2.gz CVQRPMLXFVKUFD-GJZGRUSLSA-N 0 0 336.436 1.536 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2cncnc2)cc1F ZINC000186000671 443296128 /nfs/dbraw/zinc/29/61/28/443296128.db2.gz WNXPZENTULMYHK-CYBMUJFWSA-N 0 0 338.346 1.619 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)CCc2ccnn2C)cn1 ZINC000275524409 443630931 /nfs/dbraw/zinc/63/09/31/443630931.db2.gz YBKRICXEKGHSKG-WMLDXEAASA-N 0 0 330.388 1.403 10 0 EDAERN CCc1cnccc1C(=O)N1CCN(CC)[C@H](c2nccn2C)C1 ZINC000328640199 444408592 /nfs/dbraw/zinc/40/85/92/444408592.db2.gz XHWWKXVMWXAOQM-INIZCTEOSA-N 0 0 327.432 1.897 10 0 EDAERN Cc1cccn(CC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1=O ZINC000328612598 444393134 /nfs/dbraw/zinc/39/31/34/444393134.db2.gz PJENSTRFRBQJRV-CYBMUJFWSA-N 0 0 346.387 1.263 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CN(C)Cc3ccccc3)CCO2)o1 ZINC000328613176 444394176 /nfs/dbraw/zinc/39/41/76/444394176.db2.gz QYUQKYMHCGJISS-OAHLLOKOSA-N 0 0 330.388 1.410 10 0 EDAERN CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCn3cnnc3C2)ncn1 ZINC000328624849 444399322 /nfs/dbraw/zinc/39/93/22/444399322.db2.gz CRCSHQPSYBDMGG-CXAGYDPISA-N 0 0 343.435 1.704 10 0 EDAERN Cn1ccnc1[C@@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1C ZINC000372540186 447121521 /nfs/dbraw/zinc/12/15/21/447121521.db2.gz OXNKDJIKYQRFRG-INIZCTEOSA-N 0 0 336.399 1.492 10 0 EDAERN CSc1c(I)ccc(C)c1S(N)(=O)=O ZINC000575707991 447883068 /nfs/dbraw/zinc/88/30/68/447883068.db2.gz DJPUNKPZHWHJQM-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN CCOC(=O)C(C=Nc1cscc1C(=O)OC)C(=O)OCC ZINC000498050914 448076086 /nfs/dbraw/zinc/07/60/86/448076086.db2.gz ZNNPEPWNUVLDEM-UHFFFAOYSA-N 0 0 327.358 1.957 10 0 EDAERN CCOc1cc(/C=C\C(=O)N2CCN(CCOC)[C@@H](C)C2)ccc1O ZINC000492486222 448223792 /nfs/dbraw/zinc/22/37/92/448223792.db2.gz FKJWQBXYJNFRLW-LYASGUKUSA-N 0 0 348.443 1.983 10 0 EDAERN CC(C)n1cnc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000583616266 448442234 /nfs/dbraw/zinc/44/22/34/448442234.db2.gz ARAIVNVKJSFVPZ-MJBXVCDLSA-N 0 0 343.449 1.015 10 0 EDAERN CC1(C)CN(C(=O)c2cncnc2N)C[C@H](COc2ccccc2)O1 ZINC000583617478 448445186 /nfs/dbraw/zinc/44/51/86/448445186.db2.gz XVFQKLNGUZRXDE-CQSZACIVSA-N 0 0 342.399 1.757 10 0 EDAERN Cc1cnn(-c2ccc(C(=O)N3CC[C@](O)(c4cn[nH]n4)C3)cc2)c1 ZINC000583618419 448447151 /nfs/dbraw/zinc/44/71/51/448447151.db2.gz UUQBSDYZPYAKAB-QGZVFWFLSA-N 0 0 338.371 1.033 10 0 EDAERN COCCC1(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000583618998 448448584 /nfs/dbraw/zinc/44/85/84/448448584.db2.gz SBFALOWZWQIDFA-KRWDZBQOSA-N 0 0 336.436 1.486 10 0 EDAERN Cn1cnc2cc(C(=O)N[C@H]3CC[C@H](C(F)(F)F)N(C)C3)cnc21 ZINC000583620055 448450191 /nfs/dbraw/zinc/45/01/91/448450191.db2.gz QBCZFBPBJJUXSG-CMPLNLGQSA-N 0 0 341.337 1.723 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000583620942 448451061 /nfs/dbraw/zinc/45/10/61/448451061.db2.gz LDKLKALFNDKQKY-FOIPXRHGSA-N 0 0 332.444 1.726 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1=O ZINC000583621247 448451801 /nfs/dbraw/zinc/45/18/01/448451801.db2.gz DQIULSKYFXSWDC-CJNGLKHVSA-N 0 0 348.349 1.769 10 0 EDAERN CN(C)[C@H](C(=O)N1CCO[C@H](c2nncn2C)C1)c1ccccc1 ZINC000583621758 448453455 /nfs/dbraw/zinc/45/34/55/448453455.db2.gz KFCHPRDEHCYYOE-GJZGRUSLSA-N 0 0 329.404 1.018 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1ccnc(N)c1 ZINC000616598263 450454645 /nfs/dbraw/zinc/45/46/45/450454645.db2.gz VRJWKMMVLBNFIT-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1cccc(CO)c1 ZINC000616637674 450456884 /nfs/dbraw/zinc/45/68/84/450456884.db2.gz AVECRDHQGMOYCE-QGZVFWFLSA-N 0 0 332.425 1.514 10 0 EDAERN Cc1ccc(Cl)c(OCC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1 ZINC000616766733 450479155 /nfs/dbraw/zinc/47/91/55/450479155.db2.gz NBJKNHVYLQIYIZ-WWGRRREGSA-N 0 0 335.791 1.714 10 0 EDAERN COc1ccc(S[C@H](C)C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1 ZINC000616770057 450479833 /nfs/dbraw/zinc/47/98/33/450479833.db2.gz SAXYTBQPXAXANQ-FWYOQMDTSA-N 0 0 347.440 1.863 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)C[C@@H](C)O2)o1 ZINC000622176411 451089134 /nfs/dbraw/zinc/08/91/34/451089134.db2.gz SDWAUCGQLCLYQD-YMTOWFKASA-N 0 0 327.344 1.857 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccc(Br)s1 ZINC000633926856 451107435 /nfs/dbraw/zinc/10/74/35/451107435.db2.gz AXAUQKOGLSGNEV-SECBINFHSA-N 0 0 333.251 1.913 10 0 EDAERN Cc1ncc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)o1 ZINC000630648871 451298672 /nfs/dbraw/zinc/29/86/72/451298672.db2.gz GZIAXFRNOSJXLS-CVEARBPZSA-N 0 0 343.383 1.717 10 0 EDAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccc(Br)cc1Cl ZINC000629225141 451603424 /nfs/dbraw/zinc/60/34/24/451603424.db2.gz IGPNAIWBOXBOJI-WDEREUQCSA-N 0 0 334.597 1.982 10 0 EDAERN Cn1cc(C(=O)N2CC[C@@H](n3cccn3)C2)c(C2CCOCC2)n1 ZINC000644485725 451803790 /nfs/dbraw/zinc/80/37/90/451803790.db2.gz QFNUQRWXQSGKNO-CQSZACIVSA-N 0 0 329.404 1.598 10 0 EDAERN C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(=O)[O-] ZINC000386588485 486772298 /nfs/dbraw/zinc/77/22/98/486772298.db2.gz COKCOTKZHZNCGT-MXASKKJJSA-N 0 0 345.443 1.917 10 0 EDAERN O=C(CC/C=C/c1ccccc1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671502140 486629666 /nfs/dbraw/zinc/62/96/66/486629666.db2.gz AOJVPJVLADJIRV-PYJQOMOHSA-N 0 0 326.400 1.735 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CC[C@H]1CCCO1 ZINC000124206199 491208935 /nfs/dbraw/zinc/20/89/35/491208935.db2.gz USTGWXVENLVSGG-VXGBXAGGSA-N 0 0 328.438 1.164 10 0 EDAERN O=C(NCCc1ccccn1)c1nc(C2CC2)nc2c1OCCO2 ZINC000065293204 490997352 /nfs/dbraw/zinc/99/73/52/490997352.db2.gz IMKPWSUYFLKAIW-UHFFFAOYSA-N 0 0 326.356 1.493 10 0 EDAERN CC(=O)N[C@@H](C)C(=O)N1CCCn2cc(-c3ccccc3F)nc21 ZINC000065259538 500571699 /nfs/dbraw/zinc/57/16/99/500571699.db2.gz WKWZATOXYRAUOA-NSHDSACASA-N 0 0 330.363 1.951 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(C)nc3)C2=O)n(C)n1 ZINC000174997662 533896376 /nfs/dbraw/zinc/89/63/76/533896376.db2.gz SRKNKDQCERTZNE-HNNXBMFYSA-N 0 0 341.415 1.286 10 0 EDAERN C[C@@H]([C@H](O)Cc1cc(Br)ccc1F)S(C)(=O)=O ZINC000168528421 534038955 /nfs/dbraw/zinc/03/89/55/534038955.db2.gz XKBANXANSFQODH-WRWORJQWSA-N 0 0 325.199 1.925 10 0 EDAERN Cc1cc(C)nc(-n2nccc2NC(=O)NC[C@H]2CCCC[C@H]2O)n1 ZINC000190334955 534131570 /nfs/dbraw/zinc/13/15/70/534131570.db2.gz MVONOJZLTAMJBQ-ZIAGYGMSSA-N 0 0 344.419 1.952 10 0 EDAERN COC(=O)N[C@H](C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)C(C)C ZINC000187697189 534173165 /nfs/dbraw/zinc/17/31/65/534173165.db2.gz XQELGJXSYVHDND-IHRRRGAJSA-N 0 0 340.445 1.663 10 0 EDAERN COC(=O)c1ccccc1CCN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000186987027 534289499 /nfs/dbraw/zinc/28/94/99/534289499.db2.gz JAMBALSBPMBETC-KRWDZBQOSA-N 0 0 343.427 1.922 10 0 EDAERN O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000161701344 534340910 /nfs/dbraw/zinc/34/09/10/534340910.db2.gz GPPAHCCEYGCLPW-GJZGRUSLSA-N 0 0 328.478 1.049 10 0 EDAERN Cn1nnc2cc(C(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)ccc21 ZINC000187696842 534343336 /nfs/dbraw/zinc/34/33/36/534343336.db2.gz AEKDWFHXVNIGRN-KBPBESRZSA-N 0 0 342.424 1.878 10 0 EDAERN O=C(Nc1cc(F)cc(F)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173695206 534821120 /nfs/dbraw/zinc/82/11/20/534821120.db2.gz OFYNJEGOYVXZAV-CYBMUJFWSA-N 0 0 335.314 1.359 10 0 EDAERN O=c1[nH]cnc(Sc2ccncn2)c1I ZINC000166128663 534889832 /nfs/dbraw/zinc/88/98/32/534889832.db2.gz ADCIHSCJRAVVBP-UHFFFAOYSA-N 0 0 332.126 1.316 10 0 EDAERN COC(=O)[C@@H](c1ccccc1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000246731411 536457855 /nfs/dbraw/zinc/45/78/55/536457855.db2.gz PKZICYVITXLEFN-DLBZAZTESA-N 0 0 329.400 1.807 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000173732130 527331894 /nfs/dbraw/zinc/33/18/94/527331894.db2.gz ASFJQIQHCINMIJ-HNNXBMFYSA-N 0 0 333.413 1.939 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(N(C)C)nc2)C12CCOCC2 ZINC000187028604 527932371 /nfs/dbraw/zinc/93/23/71/527932371.db2.gz SMVHHGZAJNYVPW-LSDHHAIUSA-N 0 0 333.432 1.852 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)Nc2cccn(C)c2=O)C12CCOCC2 ZINC000184396676 528089893 /nfs/dbraw/zinc/08/98/93/528089893.db2.gz UAAUQGNWEIMXNQ-KGLIPLIRSA-N 0 0 335.404 1.481 10 0 EDAERN CC(C)C[C@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168902416 528575973 /nfs/dbraw/zinc/57/59/73/528575973.db2.gz PFHYKHNITKVUPP-LBPRGKRZSA-N 0 0 340.221 1.717 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)NCC1CCCCC1 ZINC000176567753 528703874 /nfs/dbraw/zinc/70/38/74/528703874.db2.gz UWTMTIBYPAWVQI-QFIPXVFZSA-N 0 0 327.454 1.199 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccc(C)c(OC)c2)CC1 ZINC000181824298 529226504 /nfs/dbraw/zinc/22/65/04/529226504.db2.gz SWMKHNMVSSLKLT-QGZVFWFLSA-N 0 0 349.475 1.644 10 0 EDAERN CC[C@H](C)[C@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168905846 529267735 /nfs/dbraw/zinc/26/77/35/529267735.db2.gz CXBHAYVHYDOLJC-TVQRCGJNSA-N 0 0 340.221 1.717 10 0 EDAERN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000175002800 529303627 /nfs/dbraw/zinc/30/36/27/529303627.db2.gz LBEHEXWEWSPWSL-UONOGXRCSA-N 0 0 328.478 1.429 10 0 EDAERN CC(C)S(=O)(=O)CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246736476 535095478 /nfs/dbraw/zinc/09/54/78/535095478.db2.gz PCFNCJXWJVXEON-WFASDCNBSA-N 0 0 333.400 1.896 10 0 EDAERN CCS(=O)(=O)NC1CCN(c2ccc3c(n2)CCCC3=O)CC1 ZINC000333540165 535669069 /nfs/dbraw/zinc/66/90/69/535669069.db2.gz KXKPNZVJDZLHDZ-UHFFFAOYSA-N 0 0 337.445 1.509 10 0 EDAERN CN[C@@H](C(=O)NC[C@H](C)Oc1ccccc1Cl)c1cnn(C)c1 ZINC000262280671 536335196 /nfs/dbraw/zinc/33/51/96/536335196.db2.gz WZZOWLZJMSFRPX-XHDPSFHLSA-N 0 0 336.823 1.918 10 0 EDAERN C[NH2+][C@H](C)Cc1noc(-c2cc(Cl)ccc2[N-]S(C)(=O)=O)n1 ZINC000261624094 536405197 /nfs/dbraw/zinc/40/51/97/536405197.db2.gz CARBIABSVDIDBF-MRVPVSSYSA-N 0 0 344.824 1.912 10 0 EDAERN COCCN1CCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2)C[C@@H]1C ZINC000246930333 536865076 /nfs/dbraw/zinc/86/50/76/536865076.db2.gz BSOMQSBUKVMYEB-MAUKXSAKSA-N 0 0 347.459 1.433 10 0 EDAERN COc1ccc(CNC(=O)CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195506750 536869424 /nfs/dbraw/zinc/86/94/24/536869424.db2.gz CRGWXGXXAFZGCM-UHFFFAOYSA-N 0 0 328.416 1.914 10 0 EDAERN O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794114799 580875324 /nfs/dbraw/zinc/87/53/24/580875324.db2.gz VBYQCZWKHJCJRB-KRWDZBQOSA-N 0 0 338.371 1.114 10 0 EDAERN CNC(=O)C[C@]1(O)CCCN(C(=O)/C=C(/C)c2ccccc2C)C1 ZINC000888076858 590933195 /nfs/dbraw/zinc/93/31/95/590933195.db2.gz NOKZZDOWUZDBKV-ILCZHQDMSA-N 0 0 330.428 1.888 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000888077532 590933243 /nfs/dbraw/zinc/93/32/43/590933243.db2.gz HHQSETLLYXDTPO-TZMCWYRMSA-N 0 0 349.412 1.495 10 0 EDAERN Cc1nn(C)c2nc(N3CCO[C@H](Cn4cncn4)C3)cc(Cl)c12 ZINC000892378629 591001164 /nfs/dbraw/zinc/00/11/64/591001164.db2.gz IWTMFPIVQSZYFB-NSHDSACASA-N 0 0 347.810 1.427 10 0 EDAERN Cc1nc(C)n([C@@H]2CCCN(c3nnnn3Cc3ccccc3)C2)n1 ZINC000892385088 591004036 /nfs/dbraw/zinc/00/40/36/591004036.db2.gz BYVMBRJBKJUJDA-MRXNPFEDSA-N 0 0 338.419 1.771 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccn2C2CC2)cn1 ZINC000888093729 591023317 /nfs/dbraw/zinc/02/33/17/591023317.db2.gz PZVFMXKXKUXKPC-GOEBONIOSA-N 0 0 330.388 1.616 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C2CC2)[nH]1 ZINC000888099086 591029173 /nfs/dbraw/zinc/02/91/73/591029173.db2.gz RCQJVAUZXYSMMY-LSDHHAIUSA-N 0 0 332.429 1.927 10 0 EDAERN COCCn1ccc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)n1 ZINC000899085440 591679126 /nfs/dbraw/zinc/67/91/26/591679126.db2.gz ROXNBLIHUYXSBI-ZDUSSCGKSA-N 0 0 330.392 1.086 10 0 EDAERN CC(C)c1noc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000888394860 593048058 /nfs/dbraw/zinc/04/80/58/593048058.db2.gz FMSWEQUCVMNZOB-UHFFFAOYSA-N 0 0 347.423 1.666 10 0 EDAERN S=c1n(CN2CCO[C@H]3CCCC[C@H]32)nnn1C1CCOCC1 ZINC000106062468 595080412 /nfs/dbraw/zinc/08/04/12/595080412.db2.gz OYPPWPNLBGDRTR-KGLIPLIRSA-N 0 0 339.465 1.761 10 0 EDAERN Cc1nc(COC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)oc1C ZINC000115738120 595667687 /nfs/dbraw/zinc/66/76/87/595667687.db2.gz CIRDGYHCTQAEJK-BBRMVZONSA-N 0 0 346.387 1.678 10 0 EDAERN O=C(COC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCOCC1 ZINC000109153512 595764692 /nfs/dbraw/zinc/76/46/92/595764692.db2.gz ZLJXSWQNWWZLGB-RYUDHWBXSA-N 0 0 325.311 1.470 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3[nH]ccc3c2)cn1 ZINC000862924799 596452183 /nfs/dbraw/zinc/45/21/83/596452183.db2.gz QGNDCGCYKJIRMF-JKSUJKDBSA-N 0 0 326.356 1.478 10 0 EDAERN C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1cccc(Cl)c1 ZINC000126621120 597542212 /nfs/dbraw/zinc/54/22/12/597542212.db2.gz YAZFBXNLYZBSDW-MFKMUULPSA-N 0 0 330.837 1.294 10 0 EDAERN Cc1csc([C@H]2CCCN(Cn3nnc4c(cnn4C)c3=O)C2)n1 ZINC000132525264 597860064 /nfs/dbraw/zinc/86/00/64/597860064.db2.gz OXVUMJGWBZBOCY-NSHDSACASA-N 0 0 345.432 1.127 10 0 EDAERN CCOC(CN1CCN([C@@H](C)c2nc(CC)no2)CC1)OCC ZINC000184967866 698726221 /nfs/dbraw/zinc/72/62/21/698726221.db2.gz KEEHFPUJYQLPPZ-ZDUSSCGKSA-N 0 0 326.441 1.710 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000181227489 699280626 /nfs/dbraw/zinc/28/06/26/699280626.db2.gz VPAPJZUGNDLZTL-OJDJGZDQSA-N 0 0 336.413 1.110 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1c[nH]c2cccc(OC)c12 ZINC000183845178 702697740 /nfs/dbraw/zinc/69/77/40/702697740.db2.gz GJTYSDKCJCKUTK-AWEZNQCLSA-N 0 0 344.415 1.639 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC1(C#N)CCC1 ZINC000183851763 702700270 /nfs/dbraw/zinc/70/02/70/702700270.db2.gz XVHQGUAYSXAVLQ-LLVKDONJSA-N 0 0 340.376 1.730 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCc1c[nH]c2cccc(OC)c12 ZINC000183864735 702730277 /nfs/dbraw/zinc/73/02/77/702730277.db2.gz GJTYSDKCJCKUTK-CQSZACIVSA-N 0 0 344.415 1.639 10 0 EDAERN CCN(C(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1)C1CCCCC1 ZINC000186681320 712148447 /nfs/dbraw/zinc/14/84/47/712148447.db2.gz SNXRDYBPNVEIKU-UHFFFAOYSA-N 0 0 339.480 1.648 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000081580783 282105043 /nfs/dbraw/zinc/10/50/43/282105043.db2.gz JXNQWHWVKARURR-CYBMUJFWSA-N 0 0 339.355 1.800 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccnc1N1CCOCC1 ZINC000097695557 219048374 /nfs/dbraw/zinc/04/83/74/219048374.db2.gz UAMMLILCKUCVOS-GFCCVEGCSA-N 0 0 344.371 1.268 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cc4ccccc4[nH]c3=O)CCO2)[nH]1 ZINC000173670437 231001468 /nfs/dbraw/zinc/00/14/68/231001468.db2.gz SVJGIWOXDQMYIZ-OAHLLOKOSA-N 0 0 325.372 1.528 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)[nH]1 ZINC000173734286 231017795 /nfs/dbraw/zinc/01/77/95/231017795.db2.gz VMWFBRGLVXPCIF-GFCCVEGCSA-N 0 0 326.353 1.014 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)CCO2)[nH]1 ZINC000173733775 231018148 /nfs/dbraw/zinc/01/81/48/231018148.db2.gz STQVRUHPLUFQQO-GFCCVEGCSA-N 0 0 344.343 1.154 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000174010216 231097758 /nfs/dbraw/zinc/09/77/58/231097758.db2.gz IXAFIWVQOISNRF-ZDUSSCGKSA-N 0 0 335.379 1.006 10 0 EDAERN O=C(CNC(=O)N[C@H]1CCCC[C@H]1CO)N1CCc2ccccc21 ZINC000176035024 231559593 /nfs/dbraw/zinc/55/95/93/231559593.db2.gz PWEPIEVIBNLPFC-GJZGRUSLSA-N 0 0 331.416 1.426 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)C2=Cc3ccccc3OCC2)C1 ZINC000184275384 529784102 /nfs/dbraw/zinc/78/41/02/529784102.db2.gz KPIARPJKYALEHK-AWEZNQCLSA-N 0 0 338.429 1.060 10 0 EDAERN CN(C)c1nc2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc2o1 ZINC000133048623 529805835 /nfs/dbraw/zinc/80/58/35/529805835.db2.gz JVJJCMBYXFCGHX-NSHDSACASA-N 0 0 341.375 1.622 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000176467612 529924011 /nfs/dbraw/zinc/92/40/11/529924011.db2.gz DGJUMGXNDRTGQU-CYBMUJFWSA-N 0 0 328.376 1.069 10 0 EDAERN CS(=O)(=O)c1cnn(-c2ccc(CO)cc2Br)c1 ZINC000725251028 539387811 /nfs/dbraw/zinc/38/78/11/539387811.db2.gz TVMABNFXSLFIEP-UHFFFAOYSA-N 0 0 331.191 1.531 10 0 EDAERN Cc1nc(Br)c(Br)n1C[C@@](C)([NH3+])C(=O)[O-] ZINC000725255827 539392506 /nfs/dbraw/zinc/39/25/06/539392506.db2.gz CDQZGRXBVHFDNV-MRVPVSSYSA-N 0 0 341.003 1.519 10 0 EDAERN COCCOC(=O)CCC(=O)NC(=S)Nc1ccc(F)cc1 ZINC000008568412 201753338 /nfs/dbraw/zinc/75/33/38/201753338.db2.gz LVEYBCSIVQNQOD-UHFFFAOYSA-N 0 0 328.365 1.609 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccnn1-c1ccccc1)[C@H]1CCCO1 ZINC000179970474 539478283 /nfs/dbraw/zinc/47/82/83/539478283.db2.gz XVXDZAOZUTTWPW-GXTWGEPZSA-N 0 0 328.372 1.495 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000189151358 539517583 /nfs/dbraw/zinc/51/75/83/539517583.db2.gz IIDGBKGLIRCJLL-BFYDXBDKSA-N 0 0 348.468 1.609 10 0 EDAERN Cc1nc2ccc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cn2n1 ZINC000096561990 539561909 /nfs/dbraw/zinc/56/19/09/539561909.db2.gz FGRJJIDVFWEHGG-SNVBAGLBSA-N 0 0 349.350 1.661 10 0 EDAERN COCCNC(=O)c1ccc(CN2c3cc(C)nn3CCC2=O)cc1 ZINC000015724392 201961648 /nfs/dbraw/zinc/96/16/48/201961648.db2.gz FKZPNZUGCNEHDU-UHFFFAOYSA-N 0 0 342.399 1.505 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)C(C)C ZINC000245639764 539594775 /nfs/dbraw/zinc/59/47/75/539594775.db2.gz AFCTYYYKHJBIIA-GHMZBOCLSA-N 0 0 338.374 1.035 10 0 EDAERN O=C(N[C@@H]1CCc2nnnn2CC1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000333773920 295799422 /nfs/dbraw/zinc/79/94/22/295799422.db2.gz RZTBWHKGGRVHFF-HLLBOEOZSA-N 0 0 341.415 1.662 10 0 EDAERN CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000019766931 202019532 /nfs/dbraw/zinc/01/95/32/202019532.db2.gz IRDZHMGWDAOGJF-BXUZGUMPSA-N 0 0 346.383 1.987 10 0 EDAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000161842200 540039634 /nfs/dbraw/zinc/03/96/34/540039634.db2.gz ZGVVRHPFJSQUBR-INIZCTEOSA-N 0 0 338.473 1.100 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CCCCC(=O)N1 ZINC000193758868 295895101 /nfs/dbraw/zinc/89/51/01/295895101.db2.gz VEERCUVUWLRWNM-QWHCGFSZSA-N 0 0 336.413 1.080 10 0 EDAERN C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cccs1 ZINC000183457804 235089069 /nfs/dbraw/zinc/08/90/69/235089069.db2.gz NROWZYHYOJCBMH-QWRGUYRKSA-N 0 0 331.463 1.484 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCCOC(C)C ZINC000183353210 540138181 /nfs/dbraw/zinc/13/81/81/540138181.db2.gz JMLJZGLNLUWGJY-CQSZACIVSA-N 0 0 334.482 1.512 10 0 EDAERN CCOC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(C)C ZINC000189536453 540165209 /nfs/dbraw/zinc/16/52/09/540165209.db2.gz NFMHXHKZAJJOOO-WFASDCNBSA-N 0 0 332.400 1.848 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000190053563 540167077 /nfs/dbraw/zinc/16/70/77/540167077.db2.gz UYGUZRNTMJVDME-IPYPFGDCSA-N 0 0 347.346 1.809 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000193260142 540181746 /nfs/dbraw/zinc/18/17/46/540181746.db2.gz RECJYQHSQYRLDB-ZHALLVOQSA-N 0 0 330.428 1.548 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)CCc1c[nH]cn1 ZINC000193436703 540182173 /nfs/dbraw/zinc/18/21/73/540182173.db2.gz JYRUWKRNMKVVOL-HNNXBMFYSA-N 0 0 348.472 1.936 10 0 EDAERN Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041600985 138103691 /nfs/dbraw/zinc/10/36/91/138103691.db2.gz ZWSWIXJOKRGXFU-OAHLLOKOSA-N 0 0 347.459 1.894 10 0 EDAERN CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3ncccn3)CC2=O)cc1 ZINC000020370699 202040861 /nfs/dbraw/zinc/04/08/61/202040861.db2.gz DGRYHXHTULRMJU-LBPRGKRZSA-N 0 0 339.355 1.427 10 0 EDAERN Cn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(N)ccc21 ZINC000020412916 202041253 /nfs/dbraw/zinc/04/12/53/202041253.db2.gz PKHIDBPAJWYVRF-UHFFFAOYSA-N 0 0 339.399 1.707 10 0 EDAERN CN1CCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 ZINC000020723977 202053635 /nfs/dbraw/zinc/05/36/35/202053635.db2.gz BCFYMZXEBFKIQN-UHFFFAOYSA-N 0 0 346.818 1.338 10 0 EDAERN CCS(=O)(=O)NCCc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000022409343 202084512 /nfs/dbraw/zinc/08/45/12/202084512.db2.gz DRUUAFOFFAUNRO-UHFFFAOYSA-N 0 0 340.401 1.027 10 0 EDAERN Cc1nnc2n1CCN(S(=O)(=O)Cc1ccccc1Cl)C2 ZINC000074816005 138239592 /nfs/dbraw/zinc/23/95/92/138239592.db2.gz FPBUFWOPYLQZME-UHFFFAOYSA-N 0 0 326.809 1.586 10 0 EDAERN CC(C)[C@H](CNC(=O)NC[C@@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000077760082 138254637 /nfs/dbraw/zinc/25/46/37/138254637.db2.gz AIAHCKAFEKHUQI-JYJNAYRXSA-N 0 0 327.469 1.194 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000083739795 138269367 /nfs/dbraw/zinc/26/93/67/138269367.db2.gz HUAHWLKQVRBUGB-STQMWFEESA-N 0 0 349.435 1.795 10 0 EDAERN C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(C(C)(C)C)cc1 ZINC000079485494 138261722 /nfs/dbraw/zinc/26/17/22/138261722.db2.gz MJYYBYCLIVMRQA-LLVKDONJSA-N 0 0 329.404 1.552 10 0 EDAERN CS(=O)(=O)Nc1ccc(NC(=O)c2csc(CN)n2)cc1 ZINC000090930613 138280968 /nfs/dbraw/zinc/28/09/68/138280968.db2.gz OFKCEYVJZOFCDW-UHFFFAOYSA-N 0 0 326.403 1.226 10 0 EDAERN CCc1nnc(CS(=O)(=O)CC(=O)N(C)[C@@H](C)CC(C)C)n1C ZINC000091049641 138281464 /nfs/dbraw/zinc/28/14/64/138281464.db2.gz POKGZTBPGLNRHC-LBPRGKRZSA-N 0 0 344.481 1.185 10 0 EDAERN CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O[C@H]2O)cc1 ZINC000026579302 202145433 /nfs/dbraw/zinc/14/54/33/202145433.db2.gz NCBVUSNBLYMFPP-QGZVFWFLSA-N 0 0 330.361 1.876 10 0 in-vitro EDAERN CC(C)c1ccc(-c2noc(CN3CCOC[C@@H]3C(N)=O)n2)cc1 ZINC000092421786 138288773 /nfs/dbraw/zinc/28/87/73/138288773.db2.gz AXTPUTGJCJWCMF-CQSZACIVSA-N 0 0 330.388 1.546 10 0 EDAERN O=S(=O)(CCN1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000105804382 138301723 /nfs/dbraw/zinc/30/17/23/138301723.db2.gz IJLZLCVMDPZWKI-UHFFFAOYSA-N 0 0 346.456 1.827 10 0 EDAERN COCCC1(CNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CCC1 ZINC000119518932 138314351 /nfs/dbraw/zinc/31/43/51/138314351.db2.gz UVXLPJHPDVKDFU-ZDUSSCGKSA-N 0 0 337.424 1.403 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)NC(=O)NC(C)(C)C ZINC000105894757 138302367 /nfs/dbraw/zinc/30/23/67/138302367.db2.gz NIADDCMZUAFNPF-CYBMUJFWSA-N 0 0 335.452 1.798 10 0 EDAERN NC(=O)c1cccc(NC(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000120978953 138316686 /nfs/dbraw/zinc/31/66/86/138316686.db2.gz AJQXSMZDEUEKHN-UHFFFAOYSA-N 0 0 327.388 1.926 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCC(=O)c1ccccc1)CC2 ZINC000114871904 138310775 /nfs/dbraw/zinc/31/07/75/138310775.db2.gz UGODZUMECMJAQJ-CQSZACIVSA-N 0 0 326.400 1.935 10 0 EDAERN COCCn1cc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000124588096 138328107 /nfs/dbraw/zinc/32/81/07/138328107.db2.gz PCYLMBJHYYQKLI-INIZCTEOSA-N 0 0 342.399 1.662 10 0 EDAERN Cc1ccc(C(=O)c2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1 ZINC000028004638 202164168 /nfs/dbraw/zinc/16/41/68/202164168.db2.gz DRQYAGYFRQBGMO-LULLPPNCSA-N 0 0 344.363 1.044 10 0 EDAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCN1CC(F)F ZINC000129873389 138339006 /nfs/dbraw/zinc/33/90/06/138339006.db2.gz RJTDHDDGIKIOJV-VXGBXAGGSA-N 0 0 342.394 1.484 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCCSCC(C)C)CCO2)[nH]1 ZINC000130011172 138339511 /nfs/dbraw/zinc/33/95/11/138339511.db2.gz GXQICNCGNYKQSR-ZDUSSCGKSA-N 0 0 341.481 1.975 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000130478003 138341543 /nfs/dbraw/zinc/34/15/43/138341543.db2.gz QEBHWTAWOZVVGU-GEEKYZPCSA-N 0 0 340.464 1.818 10 0 EDAERN CCCn1nc(C)c(C(=O)N[C@H]2CCc3nc(CC)nn3C2)c1C ZINC000130631389 138343358 /nfs/dbraw/zinc/34/33/58/138343358.db2.gz CHWVVNZRXMRYEN-ZDUSSCGKSA-N 0 0 330.436 1.809 10 0 EDAERN C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1nnc2n1CCCC2 ZINC000135348866 138423299 /nfs/dbraw/zinc/42/32/99/138423299.db2.gz SVKXXHICYOVKBK-LLVKDONJSA-N 0 0 339.399 1.990 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)CC1(C)OCCO1 ZINC000152041421 138466241 /nfs/dbraw/zinc/46/62/41/138466241.db2.gz JTPIDPUVOBMBHL-DGCLKSJQSA-N 0 0 337.424 1.510 10 0 EDAERN NC(=O)CN1CCC(C(=O)NC2(c3cc(F)ccc3F)CC2)CC1 ZINC000091526485 283288074 /nfs/dbraw/zinc/28/80/74/283288074.db2.gz IWJDFSZLJKJCFG-UHFFFAOYSA-N 0 0 337.370 1.267 10 0 EDAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188014080 236384699 /nfs/dbraw/zinc/38/46/99/236384699.db2.gz XMKGBSBSCSLICZ-UHFFFAOYSA-N 0 0 340.383 1.234 10 0 EDAERN Cc1coc2ccc(NC(=O)NC[C@H](O)CN3CCOCC3)cc12 ZINC000188025819 236390217 /nfs/dbraw/zinc/39/02/17/236390217.db2.gz LWLILOMKUJIBKL-AWEZNQCLSA-N 0 0 333.388 1.556 10 0 EDAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000126435243 138611832 /nfs/dbraw/zinc/61/18/32/138611832.db2.gz ACICISREMULTBL-JFUMZLFPSA-N 0 0 330.494 1.870 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000180271972 283356342 /nfs/dbraw/zinc/35/63/42/283356342.db2.gz SYOPKGQBXISLHB-MRVPVSSYSA-N 0 0 341.776 1.383 10 0 EDAERN COc1ccccc1CCC(=O)N[C@H](C)C(=O)NCc1cscn1 ZINC000033138848 202250666 /nfs/dbraw/zinc/25/06/66/202250666.db2.gz NMMJYSDSSXUQRX-GFCCVEGCSA-N 0 0 347.440 1.905 10 0 EDAERN C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)COCc1ccccc1 ZINC000171869211 138661618 /nfs/dbraw/zinc/66/16/18/138661618.db2.gz PCSVQIAWGPTREN-HOCLYGCPSA-N 0 0 343.431 1.745 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)Nc1ccnn1C1CCCC1 ZINC000171703124 138660187 /nfs/dbraw/zinc/66/01/87/138660187.db2.gz KCNJZQYQVMFDOX-OAHLLOKOSA-N 0 0 343.435 1.865 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000177133950 138723642 /nfs/dbraw/zinc/72/36/42/138723642.db2.gz KFVDSMIYBVHCOU-SECBINFHSA-N 0 0 326.299 1.315 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000185676024 283394931 /nfs/dbraw/zinc/39/49/31/283394931.db2.gz AQUBKQOWAVJISV-HRCADAONSA-N 0 0 331.416 1.827 10 0 EDAERN CCc1nnc(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000181362656 138767068 /nfs/dbraw/zinc/76/70/68/138767068.db2.gz WXQBUPVBJXONNW-SECBINFHSA-N 0 0 335.437 1.952 10 0 EDAERN Cc1cccc(CNC(=O)C[S@@](=O)Cc2nnnn2C(C)C)c1 ZINC000176573713 237341288 /nfs/dbraw/zinc/34/12/88/237341288.db2.gz RHWOXRJPGIFMKN-QHCPKHFHSA-N 0 0 335.433 1.128 10 0 EDAERN Cn1ccnc1[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1cccs1 ZINC000069142667 202269833 /nfs/dbraw/zinc/26/98/33/202269833.db2.gz HCWCLCZYQNLOFC-AAEUAGOBSA-N 0 0 325.459 1.738 10 0 EDAERN Cc1nc(NC(=O)CC[C@H]2CCCCO2)sc1S(N)(=O)=O ZINC000069397718 202278043 /nfs/dbraw/zinc/27/80/43/202278043.db2.gz LRERZACZYSHSSB-SECBINFHSA-N 0 0 333.435 1.387 10 0 EDAERN NC(=O)[C@@H]1CCCN(CC(=O)c2ccc(Br)cc2)C1 ZINC000035036780 202284980 /nfs/dbraw/zinc/28/49/80/202284980.db2.gz KFYKEVILWSMQFN-LLVKDONJSA-N 0 0 325.206 1.829 10 0 EDAERN Cn1ccnc1CNS(=O)(=O)CCSc1ccc(N)cc1 ZINC000070214813 202318974 /nfs/dbraw/zinc/31/89/74/202318974.db2.gz ZQLSMYKZSYUXIY-UHFFFAOYSA-N 0 0 326.447 1.214 10 0 EDAERN CCOC(=O)[C@](C)(Cn1cc(I)cn1)NC ZINC000070678618 202337417 /nfs/dbraw/zinc/33/74/17/202337417.db2.gz NVCONOAPHUXPNA-JTQLQIEISA-N 0 0 337.161 1.029 10 0 EDAERN COC(=O)[C@@](C)(O)COc1cccc(I)c1 ZINC000070713197 202337798 /nfs/dbraw/zinc/33/77/98/202337798.db2.gz JTHFLGVSNSAMGI-NSHDSACASA-N 0 0 336.125 1.594 10 0 EDAERN Nc1cc(Br)ccc1S[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000037693242 202353805 /nfs/dbraw/zinc/35/38/05/202353805.db2.gz DMNHPIQIGOXGMI-PSASIEDQSA-N 0 0 338.248 1.281 10 0 EDAERN O=C1NCCN[C@@H]1Cc1nc2cc(Br)ccc2n1C1CC1 ZINC000071252407 202343994 /nfs/dbraw/zinc/34/39/94/202343994.db2.gz FMOGRAKKGIDWQU-GFCCVEGCSA-N 0 0 349.232 1.764 10 0 EDAERN Cn1cc(CNS(=O)(=O)c2ccc(N)c(Br)c2)cn1 ZINC000071384613 202348281 /nfs/dbraw/zinc/34/82/81/202348281.db2.gz XLKGDPCRTHKMSW-UHFFFAOYSA-N 0 0 345.222 1.243 10 0 EDAERN COC(=O)[C@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1ccccc1 ZINC000072050178 202364745 /nfs/dbraw/zinc/36/47/45/202364745.db2.gz XBGKZBLEVUMBRZ-CQSZACIVSA-N 0 0 337.335 1.567 10 0 EDAERN COc1cc(Br)c([C@@H](NC(C)C)C(N)=O)cc1OC ZINC000037895131 202373784 /nfs/dbraw/zinc/37/37/84/202373784.db2.gz MNICULWXRZOUJE-GFCCVEGCSA-N 0 0 331.210 1.991 10 0 EDAERN COc1ccc(Br)cc1S(=O)(=O)NCc1nc[nH]n1 ZINC000037921422 202378451 /nfs/dbraw/zinc/37/84/51/202378451.db2.gz LELKNFVVJSZJTO-UHFFFAOYSA-N 0 0 347.194 1.054 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](O)C1 ZINC000037929531 202379313 /nfs/dbraw/zinc/37/93/13/202379313.db2.gz GCWGHIYRESHNNE-VIFPVBQESA-N 0 0 335.223 1.177 10 0 EDAERN CCOc1ccc2c(c1)C[C@@H](C(=O)N1CCCS1(=O)=O)CO2 ZINC000078611925 202399147 /nfs/dbraw/zinc/39/91/47/202399147.db2.gz BWSOAAZYRPRBFD-GFCCVEGCSA-N 0 0 325.386 1.199 10 0 EDAERN CCC(=O)NCCc1nc2ccccc2n1CC(=O)NCC(C)C ZINC000040299065 202434013 /nfs/dbraw/zinc/43/40/13/202434013.db2.gz RUKYRPXHKHAMLH-UHFFFAOYSA-N 0 0 330.432 1.877 10 0 EDAERN CCS(=O)(=O)Nc1ccc(C(=O)N2CCOCC2(C)C)cc1 ZINC000041280727 202479134 /nfs/dbraw/zinc/47/91/34/202479134.db2.gz NOOYTASLMCPWLU-UHFFFAOYSA-N 0 0 326.418 1.699 10 0 EDAERN CCOc1cc(C)c(S(=O)(=O)NCCS(C)(=O)=O)cc1C ZINC000041351777 202479943 /nfs/dbraw/zinc/47/99/43/202479943.db2.gz MFRSJFROVNHXCO-UHFFFAOYSA-N 0 0 335.447 1.025 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC1(CO)CCCC1)CC2 ZINC000185422406 138804960 /nfs/dbraw/zinc/80/49/60/138804960.db2.gz HUVXJUULBVDGPX-CYBMUJFWSA-N 0 0 335.452 1.568 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190130677 238239573 /nfs/dbraw/zinc/23/95/73/238239573.db2.gz YGLGCWJIQBDTIH-AWEZNQCLSA-N 0 0 343.387 1.814 10 0 EDAERN O=C(NC1CN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)C1)C1CC1 ZINC000186790770 138820395 /nfs/dbraw/zinc/82/03/95/138820395.db2.gz NSUWCJHKALLKFC-DLBZAZTESA-N 0 0 343.427 1.827 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1c(C)noc1Cl)CC2 ZINC000114864055 201071619 /nfs/dbraw/zinc/07/16/19/201071619.db2.gz JWDZHCHENFKHFE-SNVBAGLBSA-N 0 0 337.811 1.854 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc3c(c1)CCO3)CC2 ZINC000114874998 201071633 /nfs/dbraw/zinc/07/16/33/201071633.db2.gz ZDEZVIBUZAKPRS-LBPRGKRZSA-N 0 0 348.428 1.069 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(OC)c(OC)c1)CC2 ZINC000114863604 201071868 /nfs/dbraw/zinc/07/18/68/201071868.db2.gz PDLUWGFZOXYXMX-GFCCVEGCSA-N 0 0 330.388 1.603 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)CC2 ZINC000114867020 201071966 /nfs/dbraw/zinc/07/19/66/201071966.db2.gz VAGGWCSAGMNZSV-NSHDSACASA-N 0 0 336.827 1.438 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000112654905 201066651 /nfs/dbraw/zinc/06/66/51/201066651.db2.gz VETJNDFIOJWZLY-ZDUSSCGKSA-N 0 0 335.367 1.378 10 0 EDAERN Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000048806412 201111482 /nfs/dbraw/zinc/11/14/82/201111482.db2.gz XJWFNXBKYGXHBW-GFCCVEGCSA-N 0 0 325.368 1.910 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041601200 201093608 /nfs/dbraw/zinc/09/36/08/201093608.db2.gz ZRCIBFMFJRWQCY-GFCCVEGCSA-N 0 0 339.823 1.424 10 0 EDAERN Cc1c(C(=O)N(C)CC(F)F)cc(Cl)cc1S(N)(=O)=O ZINC000137029600 201136156 /nfs/dbraw/zinc/13/61/56/201136156.db2.gz MPRJDGQWGTUMOS-UHFFFAOYSA-N 0 0 326.752 1.633 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)c2)n[nH]1 ZINC000131918300 223283714 /nfs/dbraw/zinc/28/37/14/223283714.db2.gz RVGLSRVFHHGVFI-HUUCEWRRSA-N 0 0 339.399 1.663 10 0 EDAERN CC(C)c1nc(C[C@@H]2CN(C)CCN2C)nc(N)c1Br ZINC000149798361 201389892 /nfs/dbraw/zinc/38/98/92/201389892.db2.gz JNYMJBDOSLTJPY-SNVBAGLBSA-N 0 0 342.285 1.733 10 0 EDAERN NS(=O)(=O)c1ccc(F)cc1NC(=O)CC1CCSCC1 ZINC000161899556 201393135 /nfs/dbraw/zinc/39/31/35/201393135.db2.gz DVULDTKKRKCZOE-UHFFFAOYSA-N 0 0 332.422 1.945 10 0 EDAERN Cn1cc(C(=O)c2cccc(F)c2Br)c(=O)n(C)c1=O ZINC000155731188 201397627 /nfs/dbraw/zinc/39/76/27/201397627.db2.gz CEHCZUURLIXYOD-UHFFFAOYSA-N 0 0 341.136 1.217 10 0 EDAERN Nc1ccc(Cl)c(-c2nnnn2C[C@@H]2CCCS2(=O)=O)c1 ZINC000155453470 201397999 /nfs/dbraw/zinc/39/79/99/201397999.db2.gz IKNYAUDKYVMWTN-VIFPVBQESA-N 0 0 327.797 1.153 10 0 EDAERN Nc1cccc(Cl)c1-c1nnnn1C[C@@H]1CCCS1(=O)=O ZINC000155452335 201398322 /nfs/dbraw/zinc/39/83/22/201398322.db2.gz IIBWYMQQMKTATI-QMMMGPOBSA-N 0 0 327.797 1.153 10 0 EDAERN Cc1nn([C@@H]2CCO[C@@]3(CCSC3)C2)c(C)c1S(N)(=O)=O ZINC000156656292 201399216 /nfs/dbraw/zinc/39/92/16/201399216.db2.gz SZCXRUVIDIMEIT-YPMHNXCESA-N 0 0 331.463 1.375 10 0 EDAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CC(NC(=O)C3CCC3)C1)CO2 ZINC000188482921 138842787 /nfs/dbraw/zinc/84/27/87/138842787.db2.gz PUQVRTAUYDBEIW-CQSZACIVSA-N 0 0 344.411 1.373 10 0 EDAERN CCc1nc2s/c(=C\c3cn(C(C)=O)c4ccccc34)c(=O)n2n1 ZINC000047154775 202577135 /nfs/dbraw/zinc/57/71/35/202577135.db2.gz OUPHXOIJLLBTDU-ZSOIEALJSA-N 0 0 338.392 1.876 10 0 EDAERN Cc1cc(C(=O)N2CCCCCC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049683016 202626504 /nfs/dbraw/zinc/62/65/04/202626504.db2.gz YJLPUOBPUWLGLC-CYBMUJFWSA-N 0 0 325.434 1.567 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3cccc(CO)c3)CCO2)cn1 ZINC000188648426 138847572 /nfs/dbraw/zinc/84/75/72/138847572.db2.gz MFXHBZJPAKTTHR-QGZVFWFLSA-N 0 0 344.415 1.678 10 0 EDAERN Nc1nonc1C(=O)Nc1cccc(I)c1 ZINC000054419954 202670764 /nfs/dbraw/zinc/67/07/64/202670764.db2.gz VNYDOHUTJAVDEZ-UHFFFAOYSA-N 0 0 330.085 1.509 10 0 EDAERN CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1)C1CCCCC1 ZINC000055255930 202686319 /nfs/dbraw/zinc/68/63/19/202686319.db2.gz HQTWNZQVLXWELP-KRWDZBQOSA-N 0 0 344.459 1.563 10 0 EDAERN O=C(N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(=O)[nH]c1 ZINC000055790706 202698598 /nfs/dbraw/zinc/69/85/98/202698598.db2.gz RKXRRZCMCVDRGX-KRWDZBQOSA-N 0 0 339.395 1.859 10 0 EDAERN NC(=[NH2+])c1ccc(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000000012616 201424054 /nfs/dbraw/zinc/42/40/54/201424054.db2.gz FFZQRPHCKNQLFI-UHFFFAOYSA-N 0 0 341.367 1.407 10 0 EDAERN CC[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)Oc1cccc(F)c1 ZINC000189242894 138865054 /nfs/dbraw/zinc/86/50/54/138865054.db2.gz YDEBNPGJFYNXFE-IIAWOOMASA-N 0 0 338.379 1.081 10 0 EDAERN CCOC(=O)CC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000001972874 201523028 /nfs/dbraw/zinc/52/30/28/201523028.db2.gz FLOHDZSHXJJMFC-UHFFFAOYSA-N 0 0 334.397 1.859 10 0 EDAERN CN(CC[C@@H]1CCCCO1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000062193525 202795043 /nfs/dbraw/zinc/79/50/43/202795043.db2.gz NFLWHAFOAIGQKB-ZDUSSCGKSA-N 0 0 338.429 1.761 10 0 EDAERN Cn1nnnc1SCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000021051102 212203251 /nfs/dbraw/zinc/20/32/51/212203251.db2.gz CKWOUOLTFUZWQM-UHFFFAOYSA-N 0 0 333.204 1.830 10 0 EDAERN CCCN1CCCN(C(=O)N[C@@H]2CCCn3nc(CC)nc32)CC1=O ZINC000190209026 138887046 /nfs/dbraw/zinc/88/70/46/138887046.db2.gz DEFXEMFHHPNTKY-CYBMUJFWSA-N 0 0 348.451 1.329 10 0 EDAERN COCCNC(=O)c1cc(OC)c(OC)c(OC)c1Br ZINC000005743229 201661321 /nfs/dbraw/zinc/66/13/21/201661321.db2.gz XIHKKQCYQIRWRF-UHFFFAOYSA-N 0 0 348.193 1.851 10 0 EDAERN COC[C@H](NC(=O)c1c(C)nc2ccc(C)cn21)c1ccnn1C ZINC000065433470 202847914 /nfs/dbraw/zinc/84/79/14/202847914.db2.gz OYFMQFBVEQKXAU-ZDUSSCGKSA-N 0 0 327.388 1.802 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000191327005 138910848 /nfs/dbraw/zinc/91/08/48/138910848.db2.gz HVVUDKUTJSWFQH-LBPRGKRZSA-N 0 0 332.404 1.290 10 0 EDAERN O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000069480222 203005778 /nfs/dbraw/zinc/00/57/78/203005778.db2.gz PRJRSXSEPJCCQT-HZMVEIRTSA-N 0 0 348.468 1.168 10 0 EDAERN CS(=O)(=O)Cc1[nH]nc(N)c1-c1cccc(Br)c1 ZINC000070129813 203072489 /nfs/dbraw/zinc/07/24/89/203072489.db2.gz BDVAEJVRAZDAEY-UHFFFAOYSA-N 0 0 330.207 1.966 10 0 EDAERN COc1ccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)cc1Cl ZINC000070808939 203081715 /nfs/dbraw/zinc/08/17/15/203081715.db2.gz GPVSXBYQXVBGSJ-UHFFFAOYSA-N 0 0 346.774 1.849 10 0 EDAERN O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1ccncc1 ZINC000070853263 203082673 /nfs/dbraw/zinc/08/26/73/203082673.db2.gz ZSKWBXJGVAYXGQ-UHFFFAOYSA-N 0 0 338.342 1.874 10 0 EDAERN CN(C)c1ccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)cc1 ZINC000070873326 203083244 /nfs/dbraw/zinc/08/32/44/203083244.db2.gz QGZDZKLTJVPEPX-UHFFFAOYSA-N 0 0 338.371 1.134 10 0 EDAERN CCOC(=O)CCCCCn1cc(Br)c(=O)[nH]c1=O ZINC000071292736 203090856 /nfs/dbraw/zinc/09/08/56/203090856.db2.gz FCKVVFLFKWXCNK-UHFFFAOYSA-N 0 0 333.182 1.423 10 0 EDAERN CC(C)Oc1ccc2c(ccn(CC(=O)N3CCOCC3)c2=O)c1 ZINC000071501033 203098664 /nfs/dbraw/zinc/09/86/64/203098664.db2.gz GBECXVNGRSASSA-UHFFFAOYSA-N 0 0 330.384 1.648 10 0 EDAERN Cc1nc2c(Br)cc(C)cn2c1C(=O)NC[C@@H](C)O ZINC000071478083 203098670 /nfs/dbraw/zinc/09/86/70/203098670.db2.gz MKBDBZXYLSHELX-MRVPVSSYSA-N 0 0 326.194 1.824 10 0 EDAERN Cc1[nH]c(=O)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000071553984 203100294 /nfs/dbraw/zinc/10/02/94/203100294.db2.gz VUCQYFHBWWHLOY-UHFFFAOYSA-N 0 0 327.406 1.438 10 0 EDAERN CCc1cccc(OCC(=O)N(CCC(=O)OC)[C@@H](CC)CO)c1 ZINC000071634402 203100811 /nfs/dbraw/zinc/10/08/11/203100811.db2.gz QVHXFOVBONYTBY-HNNXBMFYSA-N 0 0 337.416 1.790 10 0 EDAERN COC(=O)[C@H](C)CN(CCNC(C)=O)C(=O)c1cccc(OC)c1 ZINC000071610527 203100830 /nfs/dbraw/zinc/10/08/30/203100830.db2.gz YVNGSONXEULHGO-GFCCVEGCSA-N 0 0 336.388 1.083 10 0 EDAERN COC(=O)[C@H](C)CN(CCNC(C)=O)C(=O)c1ccccc1Cl ZINC000071624085 203101419 /nfs/dbraw/zinc/10/14/19/203101419.db2.gz WZMGGQNBCVKBLI-LLVKDONJSA-N 0 0 340.807 1.727 10 0 EDAERN COC(=O)CCN(CCNC(C)=O)C(=O)CCC(=O)c1ccccc1 ZINC000071641320 203101927 /nfs/dbraw/zinc/10/19/27/203101927.db2.gz UMLWDNVPMFBAMN-UHFFFAOYSA-N 0 0 348.399 1.177 10 0 EDAERN COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2ccccc2N)cc1 ZINC000071709995 203103550 /nfs/dbraw/zinc/10/35/50/203103550.db2.gz LTYZFSXFOFYGRD-NSHDSACASA-N 0 0 334.397 1.776 10 0 EDAERN CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(c1cc(C(N)=O)ccn1)CC2 ZINC000072477130 203231986 /nfs/dbraw/zinc/23/19/86/203231986.db2.gz SSWOHAIBHHYIEP-AWEZNQCLSA-N 0 0 346.431 1.336 10 0 EDAERN Cc1nn(C)c2nc(-c3ccncc3)nc(NCCn3cnnc3)c12 ZINC000072428396 203223236 /nfs/dbraw/zinc/22/32/36/203223236.db2.gz CBOHQYQGQDYBJJ-UHFFFAOYSA-N 0 0 335.375 1.437 10 0 EDAERN COCCNC(=O)CN1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000072878636 203249136 /nfs/dbraw/zinc/24/91/36/203249136.db2.gz SIELUGSTERZYSF-UHFFFAOYSA-N 0 0 342.443 1.115 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC1(O)CCOCC1 ZINC000075229623 203310599 /nfs/dbraw/zinc/31/05/99/203310599.db2.gz DARWPXNQPMKRFL-ZBFHGGJFSA-N 0 0 348.443 1.489 10 0 EDAERN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H]1C[C@@H]1C ZINC000075981027 203329566 /nfs/dbraw/zinc/32/95/66/203329566.db2.gz CTHZTVWRHKMVBG-WFASDCNBSA-N 0 0 339.461 1.722 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000076075933 203335490 /nfs/dbraw/zinc/33/54/90/203335490.db2.gz CPSLDNVHLXHMDN-LRDDRELGSA-N 0 0 331.416 1.594 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000081451556 203480441 /nfs/dbraw/zinc/48/04/41/203480441.db2.gz ZUOMCXDQSNZAJZ-SECBINFHSA-N 0 0 349.387 1.637 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000193752478 138977707 /nfs/dbraw/zinc/97/77/07/138977707.db2.gz AJVWDVYVEATVEV-SUMDDJOVSA-N 0 0 330.428 1.379 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(C(N)=O)cn1C ZINC000246167095 284190666 /nfs/dbraw/zinc/19/06/66/284190666.db2.gz KHESSTMNSUBAOK-QKCSRTOESA-N 0 0 333.388 1.070 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)n(C)n1 ZINC000093192125 203691329 /nfs/dbraw/zinc/69/13/29/203691329.db2.gz OWAAPBOOGVZSBA-AWEZNQCLSA-N 0 0 342.399 1.951 10 0 EDAERN COc1ccc(C[C@H]2COCC[C@H]2S(=O)(=O)NC(C)C)cc1 ZINC000095076273 203710613 /nfs/dbraw/zinc/71/06/13/203710613.db2.gz WHNLPJYVCFRASG-GOEBONIOSA-N 0 0 327.446 1.971 10 0 EDAERN O=c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)c[nH]1 ZINC000040825907 203890277 /nfs/dbraw/zinc/89/02/77/203890277.db2.gz LDOUJWGGOZELIF-UHFFFAOYSA-N 0 0 328.733 1.558 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(OC)cc2)C1 ZINC000101565323 204012280 /nfs/dbraw/zinc/01/22/80/204012280.db2.gz SIQUCNJKDCYFEE-MRXNPFEDSA-N 0 0 347.459 1.692 10 0 EDAERN COC(=O)[C@H](C)NC(=O)c1cc(OC)cc(Br)c1OC ZINC000042320023 204087846 /nfs/dbraw/zinc/08/78/46/204087846.db2.gz DBDIISLNBZLWRE-ZETCQYMHSA-N 0 0 346.177 1.758 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1cccc(OC(F)F)c1 ZINC000104783393 204120078 /nfs/dbraw/zinc/12/00/78/204120078.db2.gz FZIIIYLGWFBTDN-RISCZKNCSA-N 0 0 343.374 1.979 10 0 EDAERN Cc1cccc(N2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)c1 ZINC000104799496 204122544 /nfs/dbraw/zinc/12/25/44/204122544.db2.gz PLDJPLKMCCQGGY-QGZVFWFLSA-N 0 0 332.448 1.157 10 0 EDAERN CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104799011 204122687 /nfs/dbraw/zinc/12/26/87/204122687.db2.gz XGVFEHMBSCDZEJ-LLVKDONJSA-N 0 0 346.225 1.514 10 0 EDAERN CCN(CC(=O)OC)S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000042527908 204105111 /nfs/dbraw/zinc/10/51/11/204105111.db2.gz OTRLTDZEMCNAFN-UHFFFAOYSA-N 0 0 341.216 1.759 10 0 EDAERN CC(C)[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCCC1=O ZINC000105815382 204164034 /nfs/dbraw/zinc/16/40/34/204164034.db2.gz ALTZSXGTXCKBRG-QGZVFWFLSA-N 0 0 345.447 1.527 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC000105833026 204166211 /nfs/dbraw/zinc/16/62/11/204166211.db2.gz BEJMQMBJVMUCHN-OLZOCXBDSA-N 0 0 341.402 1.944 10 0 EDAERN C[C@H](NC(=O)NC[C@H](O)COc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000105146005 204137064 /nfs/dbraw/zinc/13/70/64/204137064.db2.gz SNPAYDXRJMYDKZ-PGUXBMHVSA-N 0 0 344.358 1.571 10 0 EDAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105283230 204140794 /nfs/dbraw/zinc/14/07/94/204140794.db2.gz GCLRSHGBRKDNGM-XJKSGUPXSA-N 0 0 348.447 1.667 10 0 EDAERN CCSCC[C@H](C)NC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000119661012 204205760 /nfs/dbraw/zinc/20/57/60/204205760.db2.gz QGMOQYJUAAHJMI-RYUDHWBXSA-N 0 0 341.481 1.982 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CCN1CCOC ZINC000152054071 204206948 /nfs/dbraw/zinc/20/69/48/204206948.db2.gz LIYUVYDRBVWJIY-WBVHZDCISA-N 0 0 336.407 1.698 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CS(=O)(=O)CC(C)C)C2)c1 ZINC000105859596 204170619 /nfs/dbraw/zinc/17/06/19/204170619.db2.gz HQLVVCOQWDSKMA-CQSZACIVSA-N 0 0 327.450 1.426 10 0 EDAERN CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105853992 204171211 /nfs/dbraw/zinc/17/12/11/204171211.db2.gz KNGUTBDGDVFVED-GFCCVEGCSA-N 0 0 334.401 1.159 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105874956 204175439 /nfs/dbraw/zinc/17/54/39/204175439.db2.gz ZWXWDSWRKSSJAM-UHFFFAOYSA-N 0 0 349.479 1.151 10 0 EDAERN Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)NCc3ccccc3)CCO2)c1 ZINC000105891287 204176581 /nfs/dbraw/zinc/17/65/81/204176581.db2.gz XEKQULRXZQCCIR-WMZOPIPTSA-N 0 0 342.443 1.597 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)NCc3ccccc3F)CCO2)c1 ZINC000105891893 204177582 /nfs/dbraw/zinc/17/75/82/204177582.db2.gz TVRABYYHSMNOLS-MRXNPFEDSA-N 0 0 346.406 1.348 10 0 EDAERN CC(=O)c1ccc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000105898216 204178618 /nfs/dbraw/zinc/17/86/18/204178618.db2.gz RGJAVJRORNWPTQ-MRXNPFEDSA-N 0 0 327.388 1.756 10 0 EDAERN CCOC(=O)CCN1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000105917865 204180562 /nfs/dbraw/zinc/18/05/62/204180562.db2.gz WMLNXXIFNXDWDQ-UHFFFAOYSA-N 0 0 342.871 1.707 10 0 EDAERN CCOc1ccnc(N2CCN([C@@H](C)C(=O)NC(C)(C)CC)CC2)n1 ZINC000106152407 204186979 /nfs/dbraw/zinc/18/69/79/204186979.db2.gz QYYZKBAUVOIAPS-AWEZNQCLSA-N 0 0 349.479 1.691 10 0 EDAERN Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)cc(C)c1OC(F)F ZINC000107577915 204240113 /nfs/dbraw/zinc/24/01/13/204240113.db2.gz COJINSLEJNGDBQ-ZDUSSCGKSA-N 0 0 328.359 1.965 10 0 EDAERN CCN(C(=O)NC[C@H]1CN(C)CCO1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000109033341 204276108 /nfs/dbraw/zinc/27/61/08/204276108.db2.gz MEONJYWEUISSJY-YJBOKZPZSA-N 0 0 349.475 1.988 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)N2CCCSCC2)ccc1O ZINC000044493725 204302188 /nfs/dbraw/zinc/30/21/88/204302188.db2.gz UACLQVHFVJFNCO-UHFFFAOYSA-N 0 0 331.415 1.306 10 0 EDAERN CNC(=O)[C@H]1CCCCN1C(=O)c1cc(N)ccc1Br ZINC000045624099 204328342 /nfs/dbraw/zinc/32/83/42/204328342.db2.gz MTJKNZOGSCVWAH-GFCCVEGCSA-N 0 0 340.221 1.772 10 0 EDAERN Nc1ccc(Br)c(C(=O)O[C@@H]2CCCCNC2=O)c1 ZINC000045625786 204329065 /nfs/dbraw/zinc/32/90/65/204329065.db2.gz SSWXJOPBZMXGHY-LLVKDONJSA-N 0 0 327.178 1.857 10 0 EDAERN CCOc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1OC ZINC000111087338 204334806 /nfs/dbraw/zinc/33/48/06/204334806.db2.gz RNDXQSUIDXTGCA-HNNXBMFYSA-N 0 0 345.399 1.832 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)n1 ZINC000111345308 204352309 /nfs/dbraw/zinc/35/23/09/204352309.db2.gz NVBGFFCQZUSEIJ-MRXNPFEDSA-N 0 0 349.456 1.898 10 0 EDAERN CN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000048950283 204360308 /nfs/dbraw/zinc/36/03/08/204360308.db2.gz PPEXOJOGFMXLFZ-LBPRGKRZSA-N 0 0 328.459 1.510 10 0 EDAERN CCNC(=O)CCCC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111621584 204365601 /nfs/dbraw/zinc/36/56/01/204365601.db2.gz JRGFPLOQPCEPOX-HNNXBMFYSA-N 0 0 336.436 1.034 10 0 EDAERN O=C(NCc1ccc(Cl)nc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111832272 204375338 /nfs/dbraw/zinc/37/53/38/204375338.db2.gz ZQDMRMQFGYYQGZ-ZDUSSCGKSA-N 0 0 335.795 1.542 10 0 EDAERN Cc1nc(C[C@H]2CCCN(CC(=O)NCc3cccnc3)C2)no1 ZINC000111213177 204341657 /nfs/dbraw/zinc/34/16/57/204341657.db2.gz GLMIFZVFAIRUTC-CQSZACIVSA-N 0 0 329.404 1.344 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@@H](n2ccnc2CC)C1 ZINC000111229497 204343875 /nfs/dbraw/zinc/34/38/75/204343875.db2.gz AHSWHZAMMZLTLC-CQSZACIVSA-N 0 0 336.436 1.104 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3c(C)nn(C)c3Cl)CCO2)c1 ZINC000112062632 204380815 /nfs/dbraw/zinc/38/08/15/204380815.db2.gz SLXJXDMWZODNJI-LBPRGKRZSA-N 0 0 337.811 1.428 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)C)CCO2)c1 ZINC000112064995 204381501 /nfs/dbraw/zinc/38/15/01/204381501.db2.gz FNGPGRGLDOTHGE-ZWKOTPCHSA-N 0 0 342.443 1.722 10 0 EDAERN COc1cc(C(=O)N2CCN3CCCC[C@H]3C2)cc2c1OCCO2 ZINC000195086148 139006759 /nfs/dbraw/zinc/00/67/59/139006759.db2.gz CUIOCTXBHSCUSB-AWEZNQCLSA-N 0 0 332.400 1.777 10 0 EDAERN Cc1noc2ncc(C(=O)N[C@@H]3CCc4nnc(C(C)C)n4C3)cc12 ZINC000195266523 139011847 /nfs/dbraw/zinc/01/18/47/139011847.db2.gz NOUJCRYTJJAELU-GFCCVEGCSA-N 0 0 340.387 1.991 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000195273710 139012079 /nfs/dbraw/zinc/01/20/79/139012079.db2.gz ZNHPRHCMWMHRGP-AWEZNQCLSA-N 0 0 325.368 1.941 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113860393 204458886 /nfs/dbraw/zinc/45/88/86/204458886.db2.gz AXIQIALCNCCRGY-LSDHHAIUSA-N 0 0 348.447 1.091 10 0 EDAERN CCN1CCN(CC(=O)c2ccc(Cl)c(Cl)c2)C(=O)C1=O ZINC000050127129 204518211 /nfs/dbraw/zinc/51/82/11/204518211.db2.gz OAIODIDPXMKIKJ-UHFFFAOYSA-N 0 0 329.183 1.867 10 0 EDAERN CC(C)n1nnnc1CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O ZINC000195516456 139019035 /nfs/dbraw/zinc/01/90/35/139019035.db2.gz RYYKSIKDJAOIJG-KRWDZBQOSA-N 0 0 340.387 1.234 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)no1 ZINC000120091770 204705263 /nfs/dbraw/zinc/70/52/63/204705263.db2.gz YCQLKEIWGFPIJI-GHMZBOCLSA-N 0 0 344.371 1.619 10 0 EDAERN C[C@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1nnc2n1CCCC2 ZINC000153495082 204730324 /nfs/dbraw/zinc/73/03/24/204730324.db2.gz AODSBFOEAUKQAC-TVQRCGJNSA-N 0 0 347.341 1.384 10 0 EDAERN CCn1cc(C(=O)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000123586765 204925138 /nfs/dbraw/zinc/92/51/38/204925138.db2.gz CDRLRJDVVJDIKE-LLVKDONJSA-N 0 0 329.356 1.734 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cc(C)ccc1F ZINC000127073290 205084151 /nfs/dbraw/zinc/08/41/51/205084151.db2.gz PAGUXXCVAVMFJJ-CYBMUJFWSA-N 0 0 348.378 1.902 10 0 EDAERN C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000156445269 205089685 /nfs/dbraw/zinc/08/96/85/205089685.db2.gz BQWBYYLYTHBPIN-JTQLQIEISA-N 0 0 328.438 1.005 10 0 EDAERN CCn1cc(C(=O)C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cn1 ZINC000129225592 205184285 /nfs/dbraw/zinc/18/42/85/205184285.db2.gz SIKBYILZHPWQLK-GFCCVEGCSA-N 0 0 331.376 1.258 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)c(C)c1 ZINC000130732055 205254025 /nfs/dbraw/zinc/25/40/25/205254025.db2.gz KKZVPUZVNKKWPF-XJKSGUPXSA-N 0 0 334.416 2.000 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cn(Cc2cccc(F)c2)nn1 ZINC000131300615 205282012 /nfs/dbraw/zinc/28/20/12/205282012.db2.gz XYVBCHQHMNUADO-BBRMVZONSA-N 0 0 332.379 1.746 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000158088070 205292366 /nfs/dbraw/zinc/29/23/66/205292366.db2.gz ACOHYJFRMLAQJE-CABCVRRESA-N 0 0 327.384 1.866 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)C3=C(C)OCCC3)CC2)n1 ZINC000131839862 205305349 /nfs/dbraw/zinc/30/53/49/205305349.db2.gz QIPPZJYTHIKLTB-UHFFFAOYSA-N 0 0 346.431 1.917 10 0 EDAERN COC(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)c(F)c1 ZINC000131925433 205308476 /nfs/dbraw/zinc/30/84/76/205308476.db2.gz WVKAGEDXFTVFCE-JTQLQIEISA-N 0 0 333.323 1.340 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@H]1N1CCOCC1 ZINC000132909088 205348677 /nfs/dbraw/zinc/34/86/77/205348677.db2.gz CLVBPWHQURBZKP-MEBBXXQBSA-N 0 0 328.334 1.897 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)N[C@@H](C)CSC)CC2)cn1 ZINC000133581534 205371772 /nfs/dbraw/zinc/37/17/72/205371772.db2.gz OUWALNBPBIZDBX-AWEZNQCLSA-N 0 0 339.509 1.872 10 0 EDAERN CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000159022249 205392918 /nfs/dbraw/zinc/39/29/18/205392918.db2.gz GMTVDOMTOYDJDF-AWEZNQCLSA-N 0 0 325.434 1.305 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCCCC(=O)OC ZINC000133367805 205364668 /nfs/dbraw/zinc/36/46/68/205364668.db2.gz GYAMAVFPGLMGFM-LBPRGKRZSA-N 0 0 337.424 1.708 10 0 EDAERN CCn1ncc(Br)c1[C@H](O)C[C@@H]1CCS(=O)(=O)C1 ZINC000140223858 205550575 /nfs/dbraw/zinc/55/05/75/205550575.db2.gz SLOXHCMHMZJGDZ-WCBMZHEXSA-N 0 0 337.239 1.524 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2nncn2C2CC2)C1 ZINC000151709585 205664057 /nfs/dbraw/zinc/66/40/57/205664057.db2.gz VROJCQMBPCTSTA-NSHDSACASA-N 0 0 335.408 1.486 10 0 EDAERN CSc1ccc(O[C@@H](C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000151894397 205685818 /nfs/dbraw/zinc/68/58/18/205685818.db2.gz JXUBENIBBCDSGM-RYUDHWBXSA-N 0 0 332.429 1.899 10 0 EDAERN CC[C@H]1CN(C(=O)CSCC(F)(F)F)CCN1C[C@H](C)O ZINC000245581032 139080061 /nfs/dbraw/zinc/08/00/61/139080061.db2.gz IYYAZPUZTAIRLV-QWRGUYRKSA-N 0 0 328.400 1.586 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCCC(=O)NC ZINC000153834368 205885728 /nfs/dbraw/zinc/88/57/28/205885728.db2.gz ZJSUOLJYBISIMP-PBHICJAKSA-N 0 0 347.459 1.816 10 0 EDAERN CCn1ncc(Br)c1C(=O)[C@H]1CN(C)CCCN1C ZINC000156935128 206108635 /nfs/dbraw/zinc/10/86/35/206108635.db2.gz WEHAEANOKUWKFY-LLVKDONJSA-N 0 0 329.242 1.484 10 0 EDAERN COCCn1ncc(Br)c1[C@@H](O)[C@@H]1CSCCO1 ZINC000157767254 206153887 /nfs/dbraw/zinc/15/38/87/206153887.db2.gz YTEMVWOQCFTIQQ-ONGXEEELSA-N 0 0 337.239 1.457 10 0 EDAERN O=C1CSCC(=O)N1c1ccc(I)cc1 ZINC000157893683 206161458 /nfs/dbraw/zinc/16/14/58/206161458.db2.gz PEJIVURCGRFACR-UHFFFAOYSA-N 0 0 333.150 1.898 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000245919366 139089790 /nfs/dbraw/zinc/08/97/90/139089790.db2.gz SRQFGFPSTGNGQU-KKUMJFAQSA-N 0 0 348.447 1.422 10 0 EDAERN C[C@]1(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCS(=O)(=O)C1 ZINC000246005486 139092048 /nfs/dbraw/zinc/09/20/48/139092048.db2.gz GBBUNFFCUGFVDQ-PGUXBMHVSA-N 0 0 329.368 1.762 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000159269649 206235577 /nfs/dbraw/zinc/23/55/77/206235577.db2.gz CNXZXZHSXSUJAN-BBRMVZONSA-N 0 0 341.415 1.853 10 0 EDAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246113394 139095300 /nfs/dbraw/zinc/09/53/00/139095300.db2.gz NQPOZNLVWOWNJQ-RLFYNMQTSA-N 0 0 348.443 1.125 10 0 EDAERN CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000246557715 139112840 /nfs/dbraw/zinc/11/28/40/139112840.db2.gz KKNSVKKYHKICPD-HRCADAONSA-N 0 0 334.416 1.953 10 0 EDAERN C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1N1CCOCC1 ZINC000246616569 139115296 /nfs/dbraw/zinc/11/52/96/139115296.db2.gz YNGLTVLCYIHBHR-CSMYWGQOSA-N 0 0 326.387 1.651 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)C[C@@H]1N1CCOCC1 ZINC000246907674 139126389 /nfs/dbraw/zinc/12/63/89/139126389.db2.gz IDGTVUPQRQGEKC-FHLIZLRMSA-N 0 0 343.427 1.359 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000246958892 139128489 /nfs/dbraw/zinc/12/84/89/139128489.db2.gz ILIYYAUOPQIMGS-GOEBONIOSA-N 0 0 341.477 1.855 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC000246995546 139130123 /nfs/dbraw/zinc/13/01/23/139130123.db2.gz BGMHQECVKYRQJN-IKGGRYGDSA-N 0 0 333.476 1.420 10 0 EDAERN Cn1cc([C@@H]2CCN([C@H]3CC(=O)N(c4ccccc4F)C3=O)C2)cn1 ZINC000247054246 139133676 /nfs/dbraw/zinc/13/36/76/139133676.db2.gz OUFAMDGJOQNGOW-WBMJQRKESA-N 0 0 342.374 1.681 10 0 EDAERN C[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(CO)sc1Br ZINC000160752328 206311663 /nfs/dbraw/zinc/31/16/63/206311663.db2.gz PPFBDZCIHBNEIY-NKWVEPMBSA-N 0 0 340.264 1.937 10 0 EDAERN CO[C@H](C)[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1Br ZINC000161231097 206335683 /nfs/dbraw/zinc/33/56/83/206335683.db2.gz KCJXPAOAJIKIIE-HTQZYQBOSA-N 0 0 337.239 1.932 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCCC(=O)NC3CC3)C2)no1 ZINC000103306938 206399869 /nfs/dbraw/zinc/39/98/69/206399869.db2.gz UCWNRWRGZJHKMT-CYBMUJFWSA-N 0 0 349.435 1.401 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C[C@@H](O)COC(C)(C)C)CCO2)n1 ZINC000247106083 139135815 /nfs/dbraw/zinc/13/58/15/139135815.db2.gz IRPDXLAKVDGRIR-CVEARBPZSA-N 0 0 325.453 1.377 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000105896339 206458995 /nfs/dbraw/zinc/45/89/95/206458995.db2.gz KXORTEWIIXDDEP-CYBMUJFWSA-N 0 0 335.452 1.707 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247382160 139146669 /nfs/dbraw/zinc/14/66/69/139146669.db2.gz PWCVAMRZWGALKY-HIFRSBDPSA-N 0 0 338.473 1.939 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1c1nc(Br)cn2ccnc12 ZINC000168294629 206544857 /nfs/dbraw/zinc/54/48/57/206544857.db2.gz JFKIXLRRIAVTHF-DTWKUNHWSA-N 0 0 327.182 1.078 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c2ncccc12 ZINC000166898676 206533896 /nfs/dbraw/zinc/53/38/96/206533896.db2.gz WFUCMYPSPFASSY-CQSZACIVSA-N 0 0 340.383 1.219 10 0 EDAERN CC(C)COc1ccc(C2=C(N3CCOCC3)C(=O)N(C)C2=O)cc1 ZINC000170009580 206567740 /nfs/dbraw/zinc/56/77/40/206567740.db2.gz LLOXFZQEPSVCTB-UHFFFAOYSA-N 0 0 344.411 1.763 10 0 EDAERN CCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N2CCCC2)C1=O ZINC000170053947 206571531 /nfs/dbraw/zinc/57/15/31/206571531.db2.gz ROFVPANQJBMDMB-UHFFFAOYSA-N 0 0 330.384 1.899 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000248657048 139170476 /nfs/dbraw/zinc/17/04/76/139170476.db2.gz WYNQLOMQQJQCIE-KKUMJFAQSA-N 0 0 344.477 1.769 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000248659527 139170578 /nfs/dbraw/zinc/17/05/78/139170578.db2.gz YUYKQPVENZBFLV-HNNXBMFYSA-N 0 0 326.466 1.633 10 0 EDAERN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCCNC(=O)[C@H]1C ZINC000249049237 139184006 /nfs/dbraw/zinc/18/40/06/139184006.db2.gz NZCZNXFTZKYSBK-GDBMZVCRSA-N 0 0 347.459 1.863 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000249159385 139188143 /nfs/dbraw/zinc/18/81/43/139188143.db2.gz YDLHTGMXNWPDHN-QLFBSQMISA-N 0 0 348.447 1.110 10 0 EDAERN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H](O)C[C@@H]1CO ZINC000249274488 139190203 /nfs/dbraw/zinc/19/02/03/139190203.db2.gz CHOHPXDZVGPAKH-IEBDPFPHSA-N 0 0 339.392 1.190 10 0 EDAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249524819 139194787 /nfs/dbraw/zinc/19/47/87/139194787.db2.gz XRPARCVUZRYWOW-TUKIKUTGSA-N 0 0 348.424 1.694 10 0 EDAERN C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249543349 139195313 /nfs/dbraw/zinc/19/53/13/139195313.db2.gz FNSJBACLJDRVNO-USWWRNFRSA-N 0 0 336.379 1.823 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000172468273 206833161 /nfs/dbraw/zinc/83/31/61/206833161.db2.gz CSCSZVNJSOSJGI-HNNXBMFYSA-N 0 0 330.436 1.997 10 0 EDAERN OC[C@@H]1CCCN1c1cc(N2CCC(Cn3cccn3)CC2)ncn1 ZINC000172371410 206823949 /nfs/dbraw/zinc/82/39/49/206823949.db2.gz KGKWOAORLJIHBE-INIZCTEOSA-N 0 0 342.447 1.551 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccncc2)ncn1 ZINC000173289997 206911656 /nfs/dbraw/zinc/91/16/56/206911656.db2.gz BJCOQIKTIDYMKN-ZDUSSCGKSA-N 0 0 327.392 1.704 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cccs2)cn1C ZINC000173777902 206957900 /nfs/dbraw/zinc/95/79/00/206957900.db2.gz AIYOIAGARFURRB-SECBINFHSA-N 0 0 328.415 1.913 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000174663671 207043210 /nfs/dbraw/zinc/04/32/10/207043210.db2.gz BSUDCIBOPWGSJC-LBPRGKRZSA-N 0 0 340.420 1.540 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](CC(N)=O)C1)C(C)C ZINC000174726261 207051346 /nfs/dbraw/zinc/05/13/46/207051346.db2.gz AUAYSSWAXXSTQW-XJKSGUPXSA-N 0 0 325.453 1.287 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)n1 ZINC000174805159 207060594 /nfs/dbraw/zinc/06/05/94/207060594.db2.gz AXQYFLNODJQKLC-BBRMVZONSA-N 0 0 344.415 1.571 10 0 EDAERN Cc1cccc2c(CCNC(=O)N[C@@H]3CCc4ncnn4C3)c[nH]c21 ZINC000175114751 207094665 /nfs/dbraw/zinc/09/46/65/207094665.db2.gz ZSBQPMRYSPLIKE-CQSZACIVSA-N 0 0 338.415 1.925 10 0 EDAERN CN[C@@H](C(=O)NC[C@@H](C)Oc1ccccc1Cl)c1cnn(C)c1 ZINC000262280669 139266234 /nfs/dbraw/zinc/26/62/34/139266234.db2.gz WZZOWLZJMSFRPX-IAQYHMDHSA-N 0 0 336.823 1.918 10 0 EDAERN Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000175918442 207174108 /nfs/dbraw/zinc/17/41/08/207174108.db2.gz CZNVSRMRCAALCY-CYBMUJFWSA-N 0 0 339.363 1.219 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1Cl ZINC000176104004 207190574 /nfs/dbraw/zinc/19/05/74/207190574.db2.gz FEXRNGQZMHFEIV-LLVKDONJSA-N 0 0 349.778 1.530 10 0 EDAERN CN[C@@H](C(=O)Nc1cccc(N2CCCNC2=O)c1)c1cnn(C)c1 ZINC000262489862 139282089 /nfs/dbraw/zinc/28/20/89/139282089.db2.gz HOBZNFZFBILLFA-OAHLLOKOSA-N 0 0 342.403 1.239 10 0 EDAERN OC[C@@H](O)CSCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000177425372 207334481 /nfs/dbraw/zinc/33/44/81/207334481.db2.gz SODOOCUEMSZKJT-SNVBAGLBSA-N 0 0 334.323 1.268 10 0 EDAERN O=C(CNC(=O)N[C@@H]1CCCn2ncnc21)Nc1ccc(Cl)cc1 ZINC000177363509 207326385 /nfs/dbraw/zinc/32/63/85/207326385.db2.gz XYXKRBOBIBPLFX-GFCCVEGCSA-N 0 0 348.794 1.704 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000177610511 207363827 /nfs/dbraw/zinc/36/38/27/207363827.db2.gz BHEGMBSXWSECPO-LSDHHAIUSA-N 0 0 333.432 1.155 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccc(N(C)C)cc2)C[C@H]1N1CCOCC1 ZINC000177684938 207377248 /nfs/dbraw/zinc/37/72/48/207377248.db2.gz HSNQQZKXJBPKQB-RHSMWYFYSA-N 0 0 332.448 1.937 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)C[C@H](C)O1 ZINC000180376518 207768126 /nfs/dbraw/zinc/76/81/26/207768126.db2.gz RNXOVGAIPGKDIB-QWRGUYRKSA-N 0 0 329.360 1.046 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(SC)ccc1Cl ZINC000168844998 533039563 /nfs/dbraw/zinc/03/95/63/533039563.db2.gz ONPMJQWFKLINDC-PELKAZGASA-N 0 0 329.805 1.810 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccccc1OC[C@H]1CCCO1 ZINC000112653457 220365994 /nfs/dbraw/zinc/36/59/94/220365994.db2.gz QENUSMWFXDFKFU-ZIAGYGMSSA-N 0 0 342.399 1.581 10 0 EDAERN Cc1ccc2c(c1)[C@H](N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)[C@@H](C)C2 ZINC000263528018 139346592 /nfs/dbraw/zinc/34/65/92/139346592.db2.gz UYEWTGQDASLBBJ-ZSZQSSIHSA-N 0 0 332.444 1.946 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1CC ZINC000116899025 221008525 /nfs/dbraw/zinc/00/85/25/221008525.db2.gz OJVVRLIKZOYDFF-HNNXBMFYSA-N 0 0 344.452 1.947 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C ZINC000117275863 221041049 /nfs/dbraw/zinc/04/10/49/221041049.db2.gz HYPRMEATABQWTO-CQSZACIVSA-N 0 0 330.432 1.675 10 0 EDAERN COCCN1CCN(C(=O)NCCOc2ccccc2C)C[C@H]1C ZINC000117483259 221070332 /nfs/dbraw/zinc/07/03/32/221070332.db2.gz QPDNMYQDHISGGS-MRXNPFEDSA-N 0 0 335.448 1.736 10 0 EDAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3cc(C)nn3C)CC2)cn1 ZINC000119263495 221279667 /nfs/dbraw/zinc/27/96/67/221279667.db2.gz PGXXWTKZYMGWTR-UHFFFAOYSA-N 0 0 344.419 1.290 10 0 EDAERN O=C(c1ccccn1)N1CCO[C@H]2[C@H]1CC[C@@H]2Oc1cccnc1 ZINC000247947175 257672672 /nfs/dbraw/zinc/67/26/72/257672672.db2.gz RHHWCJCKUDEDIB-IKGGRYGDSA-N 0 0 325.368 1.928 10 0 EDAERN O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@@H]1CCN2c1ncccn1 ZINC000247321661 257683199 /nfs/dbraw/zinc/68/31/99/257683199.db2.gz LSQUYICBBKBOOF-CABCVRRESA-N 0 0 348.403 1.658 10 0 EDAERN COCc1ccccc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173773772 533257188 /nfs/dbraw/zinc/25/71/88/533257188.db2.gz HKVCOPMBYDQYMI-QGZVFWFLSA-N 0 0 333.432 1.449 10 0 EDAERN COCCCCS(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000184901347 533268982 /nfs/dbraw/zinc/26/89/82/533268982.db2.gz JKKIGBOTPJPEPN-UHFFFAOYSA-N 0 0 328.438 1.109 10 0 EDAERN C[C@@H](C(=O)Nc1nc(-c2ccc(N)cc2)cs1)S(C)(=O)=O ZINC000167827957 533342379 /nfs/dbraw/zinc/34/23/79/533342379.db2.gz KOCHQTLXRVUDRP-QMMMGPOBSA-N 0 0 325.415 1.764 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(N)c(Br)c1)[C@H](C)CO ZINC000166814466 533483454 /nfs/dbraw/zinc/48/34/54/533483454.db2.gz BVEDOHLAEUEWLZ-HTQZYQBOSA-N 0 0 337.239 1.327 10 0 EDAERN Cc1ccc(=O)n(CC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c1 ZINC000071515614 132814324 /nfs/dbraw/zinc/81/43/24/132814324.db2.gz WMAZVMGWSASCAJ-GFCCVEGCSA-N 0 0 326.352 1.783 10 0 EDAERN Cc1nc([C@@H]2CN(C(=O)C[C@H](C)N3CCCCC3=O)CCO2)no1 ZINC000328745189 140673113 /nfs/dbraw/zinc/67/31/13/140673113.db2.gz OGNWSVWVOROMRV-AAEUAGOBSA-N 0 0 336.392 1.069 10 0 EDAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCOCC12CCCC2 ZINC000328929625 140684238 /nfs/dbraw/zinc/68/42/38/140684238.db2.gz YRUDIXINEVQEBO-UHFFFAOYSA-N 0 0 327.384 1.568 10 0 EDAERN CN([C@H]1CCO[C@@H]1c1cccnc1)S(=O)(=O)[C@H]1CCCOC1 ZINC000328956250 140686655 /nfs/dbraw/zinc/68/66/55/140686655.db2.gz NOFDBQFKZAZVFQ-SOUVJXGZSA-N 0 0 326.418 1.352 10 0 EDAERN O=C1CN(S(=O)(=O)c2cnc3ccc(F)cc3c2)CCN1C1CC1 ZINC000329292394 140705282 /nfs/dbraw/zinc/70/52/82/140705282.db2.gz RFOSGVMQUXISDP-UHFFFAOYSA-N 0 0 349.387 1.369 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CCC[C@@H]3c3ncc[nH]3)nc2n1 ZINC000329365418 140712879 /nfs/dbraw/zinc/71/28/79/140712879.db2.gz JZKLMDJDJYQHHH-GFCCVEGCSA-N 0 0 325.376 1.370 10 0 EDAERN C[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)N1CCOCC1 ZINC000333051412 141255692 /nfs/dbraw/zinc/25/56/92/141255692.db2.gz LINPKJXCGKULBH-OAGGEKHMSA-N 0 0 337.464 1.005 10 0 EDAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333094996 141262954 /nfs/dbraw/zinc/26/29/54/141262954.db2.gz DIUXHQVGKUSFCP-LLVKDONJSA-N 0 0 327.344 1.155 10 0 EDAERN CN1CCN(C(=O)Cc2noc([C@@H]3CCCc4ccccc43)n2)CC1 ZINC000333156773 141273214 /nfs/dbraw/zinc/27/32/14/141273214.db2.gz HNOKFFJXNJROOD-MRXNPFEDSA-N 0 0 340.427 1.854 10 0 EDAERN COc1ccc(O)cc1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333238975 141285982 /nfs/dbraw/zinc/28/59/82/141285982.db2.gz IDTHEEZUBJYMPD-OLZOCXBDSA-N 0 0 332.400 1.922 10 0 EDAERN C[C@@H]1CN(C(=O)NCCC2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000333304116 141295797 /nfs/dbraw/zinc/29/57/97/141295797.db2.gz UCNHODZNEWZMND-ZBFHGGJFSA-N 0 0 325.453 1.165 10 0 EDAERN O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328969346 304339127 /nfs/dbraw/zinc/33/91/27/304339127.db2.gz ULQFODXUSCXHLC-QLFBSQMISA-N 0 0 343.383 1.757 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@](C)(CC)CCO)C12CCOCC2 ZINC000248591386 286369228 /nfs/dbraw/zinc/36/92/28/286369228.db2.gz YUPPYMNIJXZXMI-SQWLQELKSA-N 0 0 328.453 1.811 10 0 EDAERN COc1ncccc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000078886015 286570389 /nfs/dbraw/zinc/57/03/89/286570389.db2.gz DEDBHKWROVXSPP-ZDUSSCGKSA-N 0 0 332.381 1.739 10 0 EDAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000248853396 287231119 /nfs/dbraw/zinc/23/11/19/287231119.db2.gz BXIYZLOHZDXVEB-NEPJUHHUSA-N 0 0 342.417 1.534 10 0 EDAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000080622777 287308225 /nfs/dbraw/zinc/30/82/25/287308225.db2.gz VJOAVDUNHOEZME-WFASDCNBSA-N 0 0 346.431 1.957 10 0 EDAERN [NH3+][C@H]1CCCCC[C@H]1Nc1nc[n-]c(=O)c1I ZINC000164306589 226062620 /nfs/dbraw/zinc/06/26/20/226062620.db2.gz XIVWTGZTQHMOAP-JGVFFNPUSA-N 0 0 348.188 1.446 10 0 EDAERN O=C(CCc1cccc(Br)c1)N1CCOC[C@@H]1CO ZINC000168593636 226219979 /nfs/dbraw/zinc/21/99/79/226219979.db2.gz WWCMZBQMFOSPDV-ZDUSSCGKSA-N 0 0 328.206 1.601 10 0 EDAERN NC(=S)c1c(Br)cccc1NCCN1CCOCC1 ZINC000168660457 226221409 /nfs/dbraw/zinc/22/14/09/226221409.db2.gz AHASGIWUJNIROS-UHFFFAOYSA-N 0 0 344.278 1.827 10 0 EDAERN Cn1ncnc1CC(=O)c1csc(I)c1 ZINC000168866227 226224441 /nfs/dbraw/zinc/22/44/41/226224441.db2.gz LIZIHMSKPDTKEV-UHFFFAOYSA-N 0 0 333.154 1.907 10 0 EDAERN C[C@H](Nc1ncnc2c1cnn2C)c1ccc(S(N)(=O)=O)cc1 ZINC000122281631 222051805 /nfs/dbraw/zinc/05/18/05/222051805.db2.gz UDOODCHZRDGIOY-VIFPVBQESA-N 0 0 332.389 1.184 10 0 EDAERN CC(=O)N[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)C1CCCC1 ZINC000123273082 222246172 /nfs/dbraw/zinc/24/61/72/222246172.db2.gz XGHGGUSLLCXOFI-DLBZAZTESA-N 0 0 331.416 1.756 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C(=O)c2ccccc2)CC1 ZINC000194317366 273002456 /nfs/dbraw/zinc/00/24/56/273002456.db2.gz YZVHRHQQNWDSGY-UHFFFAOYSA-N 0 0 340.427 1.564 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccc(Cn2cccn2)cc1)C(C)C ZINC000178405759 267561030 /nfs/dbraw/zinc/56/10/30/267561030.db2.gz VHIGFUQOPVKQSQ-MRXNPFEDSA-N 0 0 343.431 1.501 10 0 EDAERN CCN(CCNC(=O)N[C@@H](C(=O)NC)C(C)C)c1cccc(C)c1 ZINC000178422581 267562307 /nfs/dbraw/zinc/56/23/07/267562307.db2.gz PJGJJTRHTULJHT-MRXNPFEDSA-N 0 0 334.464 1.891 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NCC1(CO)CCOCC1 ZINC000178756195 267585025 /nfs/dbraw/zinc/58/50/25/267585025.db2.gz IGUKWUBCBRMYTL-HNNXBMFYSA-N 0 0 336.432 1.680 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N[C@@]1(CO)CCOC1 ZINC000184255477 267676510 /nfs/dbraw/zinc/67/65/10/267676510.db2.gz KMFSWQDUMBESCC-TZMCWYRMSA-N 0 0 332.322 1.611 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCCC(=O)N1CCCCC1)C(C)C ZINC000054031117 272914843 /nfs/dbraw/zinc/91/48/43/272914843.db2.gz IZLBJUXSYNZPBX-KRWDZBQOSA-N 0 0 339.480 1.692 10 0 EDAERN CCN1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000174616634 272935819 /nfs/dbraw/zinc/93/58/19/272935819.db2.gz RAJGHANKTBJJPX-ZIAGYGMSSA-N 0 0 325.453 1.844 10 0 EDAERN O=C(NCCNC(=O)N1CCC(c2cc[nH]n2)CC1)c1cccs1 ZINC000156607793 287673861 /nfs/dbraw/zinc/67/38/61/287673861.db2.gz WHGFZSQYYINHHF-UHFFFAOYSA-N 0 0 347.444 1.790 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000249212504 287793517 /nfs/dbraw/zinc/79/35/17/287793517.db2.gz SPINGRDTBLXKLI-MGPQQGTHSA-N 0 0 332.466 1.074 10 0 EDAERN O=C1[C@H](N2C[C@@H](CO)[C@@H](c3ccsc3)C2)CCN1CC(F)(F)F ZINC000249558522 275030340 /nfs/dbraw/zinc/03/03/40/275030340.db2.gz KUAHSWZFDSOKJD-YNEHKIRRSA-N 0 0 348.390 1.919 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000184174419 278100097 /nfs/dbraw/zinc/10/00/97/278100097.db2.gz OLGLZPNQDQKNBP-CYBMUJFWSA-N 0 0 326.356 1.618 10 0 EDAERN CC(C)n1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC000333236750 278123710 /nfs/dbraw/zinc/12/37/10/278123710.db2.gz PGVDZAQOCHKVJU-AWEZNQCLSA-N 0 0 333.436 1.912 10 0 EDAERN C[C@@H](NC[C@H]1CN(C)CCO1)c1ncc(Br)cc1F ZINC000187321687 278355361 /nfs/dbraw/zinc/35/53/61/278355361.db2.gz TUNZRMBAWDDEFK-KOLCDFICSA-N 0 0 332.217 1.964 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C[C@]12CCCO2 ZINC000334063148 280049913 /nfs/dbraw/zinc/04/99/13/280049913.db2.gz BXGQHWYNIACMQA-SFDCQRBFSA-N 0 0 330.450 1.019 10 0 EDAERN O=C(c1ccc(-n2cccn2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744980 280178056 /nfs/dbraw/zinc/17/80/56/280178056.db2.gz OLZMSXMPQYVSFE-QGZVFWFLSA-N 0 0 326.400 1.419 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191739947 280244517 /nfs/dbraw/zinc/24/45/17/280244517.db2.gz RYUSKGQVFLTXOO-LSDHHAIUSA-N 0 0 339.480 1.647 10 0 EDAERN CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1nncs1 ZINC000184310992 281848491 /nfs/dbraw/zinc/84/84/91/281848491.db2.gz LEGCUQNWUUIHJG-WCQYABFASA-N 0 0 334.376 1.860 10 0 EDAERN CN(C)C(=O)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171800500 281907343 /nfs/dbraw/zinc/90/73/43/281907343.db2.gz GULRQXBPCORSDM-QAPCUYQASA-N 0 0 345.443 1.581 10 0 EDAERN CN(C)C(=O)CCNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182382905 288948612 /nfs/dbraw/zinc/94/86/12/288948612.db2.gz ORXCBDYGTOASIE-CYBMUJFWSA-N 0 0 348.451 1.329 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCC2(CO)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000183193309 289835038 /nfs/dbraw/zinc/83/50/38/289835038.db2.gz ZVEOXDYOXHQZEE-HOCLYGCPSA-N 0 0 334.391 1.624 10 0 EDAERN COc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)nn1 ZINC000176303722 295082781 /nfs/dbraw/zinc/08/27/81/295082781.db2.gz HMUWZOXPVUHAGB-CYBMUJFWSA-N 0 0 342.403 1.780 10 0 EDAERN C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C[C@@H]1N1CCOCC1 ZINC000247162195 300121025 /nfs/dbraw/zinc/12/10/25/300121025.db2.gz QMJSXUMIVHWEAT-REOARJMMSA-N 0 0 334.460 1.561 10 0 EDAERN NC(=O)[C@@H]1CN(C(=O)Cc2noc3ccccc32)C[C@H]1C(F)(F)F ZINC000299743220 303657236 /nfs/dbraw/zinc/65/72/36/303657236.db2.gz KCHLDMNODTZSKJ-NXEZZACHSA-N 0 0 341.289 1.493 10 0 EDAERN CCNc1nc(Oc2ccc(OCC)nn2)nc(N2CCOCC2)n1 ZINC000003644976 440907039 /nfs/dbraw/zinc/90/70/39/440907039.db2.gz OSEVCTCANJSURI-UHFFFAOYSA-N 0 0 347.379 1.121 10 0 EDAERN CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(c2ccccn2)CC1 ZINC000008770552 441100911 /nfs/dbraw/zinc/10/09/11/441100911.db2.gz WAMOECJUIFOEON-AWEZNQCLSA-N 0 0 329.404 1.917 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000097681438 441143080 /nfs/dbraw/zinc/14/30/80/441143080.db2.gz XBZKPNODPGUJHW-CQSZACIVSA-N 0 0 340.427 1.541 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000080130768 441143847 /nfs/dbraw/zinc/14/38/47/441143847.db2.gz YSBPPEMMEWFCJG-LBPRGKRZSA-N 0 0 330.392 1.557 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1nncn1C ZINC000097941357 441146759 /nfs/dbraw/zinc/14/67/59/441146759.db2.gz QELVWFLEFWUOLL-LLVKDONJSA-N 0 0 325.394 1.336 10 0 EDAERN COC(CNS(=O)(=O)c1ccc(Br)s1)OC ZINC000015041928 441194047 /nfs/dbraw/zinc/19/40/47/441194047.db2.gz KYXDINQHNWUMGY-UHFFFAOYSA-N 0 0 330.225 1.408 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCC(=O)N1CCCCC1 ZINC000058445648 441195768 /nfs/dbraw/zinc/19/57/68/441195768.db2.gz XMSHZQBKKYMAHZ-CQSZACIVSA-N 0 0 346.431 1.715 10 0 EDAERN COc1cccc(CNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 ZINC000015923594 441213269 /nfs/dbraw/zinc/21/32/69/441213269.db2.gz TTYJKDNCPPPPPV-GFCCVEGCSA-N 0 0 338.363 1.996 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(c2ccc(C(=O)NCCOC)cn2)C1 ZINC000080976897 441216194 /nfs/dbraw/zinc/21/61/94/441216194.db2.gz MJNNAZDSYVUQKE-OAHLLOKOSA-N 0 0 348.447 1.343 10 0 EDAERN Cc1nc2cc(C(F)(F)F)ccc2c(=O)n1[C@H]1CCC(=O)NC1=O ZINC000059192512 441226878 /nfs/dbraw/zinc/22/68/78/441226878.db2.gz PRXHGGJVVRKWKV-NSHDSACASA-N 0 0 339.273 1.701 10 0 EDAERN COc1ccsc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000106010068 441321335 /nfs/dbraw/zinc/32/13/35/441321335.db2.gz SGJMFRSVTBWADF-SECBINFHSA-N 0 0 340.426 1.895 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)OC(C)(C)C)CC2)n1 ZINC000106153415 441327904 /nfs/dbraw/zinc/32/79/04/441327904.db2.gz GIWBIQYVEAOFHC-UHFFFAOYSA-N 0 0 336.436 1.647 10 0 EDAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000049036831 441343508 /nfs/dbraw/zinc/34/35/08/441343508.db2.gz RZDCENMCGSFCDO-DTWKUNHWSA-N 0 0 349.250 1.564 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105883044 441305554 /nfs/dbraw/zinc/30/55/54/441305554.db2.gz ZUPQFMXMLDXVEA-HNNXBMFYSA-N 0 0 341.415 1.831 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)NCCC(C)C)CCO2)n1 ZINC000105893580 441310496 /nfs/dbraw/zinc/31/04/96/441310496.db2.gz KGUMZNUAKVYRML-IRXDYDNUSA-N 0 0 336.480 1.752 10 0 EDAERN Cc1cnn([C@@H]2CCCN(CC(=O)NC(=O)NCc3ccco3)C2)c1 ZINC000105899476 441311555 /nfs/dbraw/zinc/31/15/55/441311555.db2.gz QHBPSJQMKJYBLZ-CQSZACIVSA-N 0 0 345.403 1.447 10 0 EDAERN CC[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)C(=O)OC ZINC000084371270 441396229 /nfs/dbraw/zinc/39/62/29/441396229.db2.gz FSKINUBQDDIPKM-OFQRWUPVSA-N 0 0 332.400 1.664 10 0 EDAERN CCOC(=O)C1CCN(C(=O)N[C@H]2CCCn3nc(C)nc32)CC1 ZINC000083749834 441374269 /nfs/dbraw/zinc/37/42/69/441374269.db2.gz FIYCRQSCRJCUFT-ZDUSSCGKSA-N 0 0 335.408 1.406 10 0 EDAERN O=C(NCc1ccncc1)[C@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312209 441417366 /nfs/dbraw/zinc/41/73/66/441417366.db2.gz GTHPDIPGLJEZED-HNNXBMFYSA-N 0 0 336.399 1.657 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1F ZINC000028436190 441433137 /nfs/dbraw/zinc/43/31/37/441433137.db2.gz KUVQXKCWIJKSRP-OAHLLOKOSA-N 0 0 342.436 1.689 10 0 EDAERN COc1ccccc1CN1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 ZINC000085436219 441440542 /nfs/dbraw/zinc/44/05/42/441440542.db2.gz BGJGJZCJCZQAKS-QGZVFWFLSA-N 0 0 345.443 1.796 10 0 EDAERN CCCCN(Cc1nnc(C(C)C)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000108870206 441479224 /nfs/dbraw/zinc/47/92/24/441479224.db2.gz KZCXGEQMTYZYTD-CYBMUJFWSA-N 0 0 328.482 1.728 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(c3nnnn3-c3ccccc3)CCO2)n1 ZINC000108950448 441482672 /nfs/dbraw/zinc/48/26/72/441482672.db2.gz ZXJAYSSXXZUHRY-MRXNPFEDSA-N 0 0 339.403 1.381 10 0 EDAERN Cn1cc(CN2CCCN(c3ncc(C(N)=O)cc3Cl)CC2)cn1 ZINC000109320477 441495746 /nfs/dbraw/zinc/49/57/46/441495746.db2.gz KRKNNVUSCLZNKV-UHFFFAOYSA-N 0 0 348.838 1.280 10 0 EDAERN COc1ccc(S[C@H](C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112650706 441552869 /nfs/dbraw/zinc/55/28/69/441552869.db2.gz IMUURDCJVOSOAD-VXGBXAGGSA-N 0 0 332.429 1.899 10 0 EDAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112659815 441553601 /nfs/dbraw/zinc/55/36/01/441553601.db2.gz LHRXZHDVUFYYQT-JSGCOSHPSA-N 0 0 328.372 1.379 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCC1(C)COC1)C(C)C ZINC000112693468 441554016 /nfs/dbraw/zinc/55/40/16/441554016.db2.gz SCGGTKMHLFIBAZ-HNNXBMFYSA-N 0 0 334.416 1.602 10 0 EDAERN O=C(Nc1ccc(N2CCCC2)nc1)N[C@H]1CCc2ncnn2C1 ZINC000112712232 441555724 /nfs/dbraw/zinc/55/57/24/441555724.db2.gz QHBWNTSFUBNNBL-ZDUSSCGKSA-N 0 0 327.392 1.410 10 0 EDAERN O=C(NCCCOc1ccc(F)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112746794 441558072 /nfs/dbraw/zinc/55/80/72/441558072.db2.gz UXMNCFLONNYKCX-CYBMUJFWSA-N 0 0 333.367 1.500 10 0 EDAERN COCCCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000066983403 441596412 /nfs/dbraw/zinc/59/64/12/441596412.db2.gz MMLXGWOXHQHDRC-LBPRGKRZSA-N 0 0 328.434 1.829 10 0 EDAERN CCC(CC)CS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000113291799 441598642 /nfs/dbraw/zinc/59/86/42/441598642.db2.gz WZVSEPSRHPLJDM-INIZCTEOSA-N 0 0 343.493 1.967 10 0 EDAERN O=C(Nc1cn2nc(I)ccc2n1)C1CC1 ZINC000113380399 441604642 /nfs/dbraw/zinc/60/46/42/441604642.db2.gz UNNFRMZWZRJHBF-UHFFFAOYSA-N 0 0 328.113 1.682 10 0 EDAERN C[C@@H](CNC(=O)N1CCO[C@@H](Cn2cccn2)C1)Oc1ccccc1 ZINC000114032934 441631722 /nfs/dbraw/zinc/63/17/22/441631722.db2.gz UOGHSFQJUOOSOQ-DOTOQJQBSA-N 0 0 344.415 1.761 10 0 EDAERN CCc1nnc(CSCCN2C(=O)c3ccccc3C2=O)n1C ZINC000091026857 441650561 /nfs/dbraw/zinc/65/05/61/441650561.db2.gz CKYYWMFDLMQKMX-UHFFFAOYSA-N 0 0 330.413 1.907 10 0 EDAERN CC(C)c1nnc(CN(C)C[C@@H](O)COCc2ccccc2)n1C ZINC000114462553 441659236 /nfs/dbraw/zinc/65/92/36/441659236.db2.gz NNFPFMXVPYOAHR-MRXNPFEDSA-N 0 0 332.448 1.948 10 0 EDAERN Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cc1 ZINC000115203464 441717446 /nfs/dbraw/zinc/71/74/46/441717446.db2.gz DIELWNYERORMCU-SJLPKXTDSA-N 0 0 340.427 1.954 10 0 EDAERN Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccccc3)CCC(=O)N2C)cn1 ZINC000115201499 441717711 /nfs/dbraw/zinc/71/77/11/441717711.db2.gz YCGOCEZPWAAPBA-DOTOQJQBSA-N 0 0 326.400 1.646 10 0 EDAERN CCC[C@H](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)c1nnn[n-]1 ZINC000136710686 441717765 /nfs/dbraw/zinc/71/77/65/441717765.db2.gz MXSCHASQZLHMGJ-PWSUYJOCSA-N 0 0 331.380 1.367 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)CC2 ZINC000114872641 441694505 /nfs/dbraw/zinc/69/45/05/441694505.db2.gz OTLLLJAEFQCBKV-CQSZACIVSA-N 0 0 341.415 1.852 10 0 EDAERN COC(=O)[C@H](c1ccccc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000173337216 441718411 /nfs/dbraw/zinc/71/84/11/441718411.db2.gz RDCAHKVMQNTQEZ-BBRMVZONSA-N 0 0 333.363 1.637 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1COc3ccccc31)CC2 ZINC000114948274 441701846 /nfs/dbraw/zinc/70/18/46/441701846.db2.gz RRLNTENKQQQBBL-AAEUAGOBSA-N 0 0 327.388 1.588 10 0 EDAERN O=C(NCC1(c2cccc(Br)c2)CC1)[C@@H]1CNC(=O)C1 ZINC000115102257 441710965 /nfs/dbraw/zinc/71/09/65/441710965.db2.gz SFIGTWPXBNLGLJ-JTQLQIEISA-N 0 0 337.217 1.733 10 0 EDAERN CCCCO[C@@H](C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115388151 441734561 /nfs/dbraw/zinc/73/45/61/441734561.db2.gz ICXOUIWRIBZYHR-INIZCTEOSA-N 0 0 336.480 1.886 10 0 EDAERN O=C([C@@H]1CSC(=O)N1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091767124 441738026 /nfs/dbraw/zinc/73/80/26/441738026.db2.gz JKTBJZBMMYQWIH-ZHAHWJHGSA-N 0 0 328.340 1.424 10 0 EDAERN COc1ccc2cccc(CC(=O)N3CCOC[C@@H]3C(N)=O)c2c1 ZINC000091779431 441741151 /nfs/dbraw/zinc/74/11/51/441741151.db2.gz UWYUUSLSFVQHER-MRXNPFEDSA-N 0 0 328.368 1.104 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccnc2Cl)ncn1 ZINC000173419117 441743497 /nfs/dbraw/zinc/74/34/97/441743497.db2.gz MJZSSJJTQPHBCY-LLVKDONJSA-N 0 0 346.822 1.966 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000173431832 441749572 /nfs/dbraw/zinc/74/95/72/441749572.db2.gz GYNNOIQYHDOONC-ZDUSSCGKSA-N 0 0 348.424 1.669 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000121699442 441761832 /nfs/dbraw/zinc/76/18/32/441761832.db2.gz ZGQATIFRYRQGNF-CYBMUJFWSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@@H](NS(=O)(=O)Cc1cccc(F)c1)c1nnc2n1CCCC2 ZINC000121727495 441766637 /nfs/dbraw/zinc/76/66/37/441766637.db2.gz AVDWHBIMIMTYKF-LLVKDONJSA-N 0 0 338.408 1.934 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NCc3cccs3)CCO2)[nH]1 ZINC000173355434 441722195 /nfs/dbraw/zinc/72/21/95/441722195.db2.gz NSAHYCLHYDQHSG-GXFFZTMASA-N 0 0 335.433 1.253 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)Nc3nnc(C(C)(C)C)s3)C2)cn1 ZINC000137494313 441773234 /nfs/dbraw/zinc/77/32/34/441773234.db2.gz LYKKYADSOYWCNV-LLVKDONJSA-N 0 0 348.476 1.997 10 0 EDAERN C[C@@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)[C@@H]1CCCO1 ZINC000115801506 441779554 /nfs/dbraw/zinc/77/95/54/441779554.db2.gz MUTXVMHSPNZEOV-ZBFHGGJFSA-N 0 0 335.452 1.205 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)COc3ccc(C)cc3C)CCO2)[nH]1 ZINC000173528830 441780699 /nfs/dbraw/zinc/78/06/99/441780699.db2.gz JUMPKHCDCJSNKE-HNNXBMFYSA-N 0 0 330.388 1.709 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NC[C@@H]3CC=CCC3)CC2)cn1 ZINC000115811443 441780917 /nfs/dbraw/zinc/78/09/17/441780917.db2.gz LUXBHZGLRKNCBB-MRXNPFEDSA-N 0 0 331.464 1.994 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173535618 441783535 /nfs/dbraw/zinc/78/35/35/441783535.db2.gz VAFUPZQAZASSAZ-OZAJXLCCSA-N 0 0 348.428 1.454 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(F)c(F)c(F)c3)CCO2)[nH]1 ZINC000173545928 441786297 /nfs/dbraw/zinc/78/62/97/441786297.db2.gz WEKCASDHHKMPRA-LLVKDONJSA-N 0 0 326.278 1.744 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)c1 ZINC000173554942 441789025 /nfs/dbraw/zinc/78/90/25/441789025.db2.gz RZXIRPDSOYHHSL-ZDUSSCGKSA-N 0 0 325.376 1.222 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000121833677 441791786 /nfs/dbraw/zinc/79/17/86/441791786.db2.gz KLFWRWJIHQUWFF-DLBZAZTESA-N 0 0 328.368 1.804 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CN3CCCCCCC3=O)CCO2)[nH]1 ZINC000173573758 441795634 /nfs/dbraw/zinc/79/56/34/441795634.db2.gz GDJYTIIVJHGACM-CYBMUJFWSA-N 0 0 349.435 1.060 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)CC2 ZINC000159262275 441798687 /nfs/dbraw/zinc/79/86/87/441798687.db2.gz ZNABWIDZOLUTRP-MFKMUULPSA-N 0 0 330.436 1.805 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1C ZINC000173673828 441821058 /nfs/dbraw/zinc/82/10/58/441821058.db2.gz UKDRWYFTIMFSNA-AWEZNQCLSA-N 0 0 345.403 1.517 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)n1 ZINC000173587895 441799293 /nfs/dbraw/zinc/79/92/93/441799293.db2.gz VEXNKFWOGYMRGS-CABCVRRESA-N 0 0 336.505 1.793 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(C(N)=O)cn2)no1 ZINC000173594016 441800621 /nfs/dbraw/zinc/80/06/21/441800621.db2.gz AFXLMLJWHXTYRT-GFCCVEGCSA-N 0 0 329.360 1.664 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CCO2)[nH]1 ZINC000173608413 441803646 /nfs/dbraw/zinc/80/36/46/441803646.db2.gz CQJAHNPNRVLULL-OAHLLOKOSA-N 0 0 343.431 1.642 10 0 EDAERN Cc1ccc(CN(C(=O)CN2CC[C@@H](N3CCOCC3)C2)C2CC2)o1 ZINC000173931810 441864148 /nfs/dbraw/zinc/86/41/48/441864148.db2.gz YJAHVHJJJHVABC-QGZVFWFLSA-N 0 0 347.459 1.486 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000173933751 441865804 /nfs/dbraw/zinc/86/58/04/441865804.db2.gz ZUSCDKCQYACQCK-HNNXBMFYSA-N 0 0 346.431 1.328 10 0 EDAERN COCCN1CCN(C(=O)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000117291534 441868048 /nfs/dbraw/zinc/86/80/48/441868048.db2.gz XLGCYMKXZWLFFU-CQSZACIVSA-N 0 0 336.432 1.425 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(F)cc3nccnc32)CCN1CCOC ZINC000117300500 441869103 /nfs/dbraw/zinc/86/91/03/441869103.db2.gz YHGGVCSTKWRVNT-CQSZACIVSA-N 0 0 346.406 1.952 10 0 EDAERN CC(C)[C@@H](C)NC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000117469375 441872651 /nfs/dbraw/zinc/87/26/51/441872651.db2.gz YLTGAAMQQIVEEI-IAGOWNOFSA-N 0 0 349.475 1.798 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1=O ZINC000093285187 441872833 /nfs/dbraw/zinc/87/28/33/441872833.db2.gz JZWLLPULURQFGQ-LBPRGKRZSA-N 0 0 339.823 1.901 10 0 EDAERN CN(CCCOc1ccccc1)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000173701007 441827096 /nfs/dbraw/zinc/82/70/96/441827096.db2.gz JMDDCJPIXYSLNT-GOSISDBHSA-N 0 0 349.475 1.176 10 0 EDAERN COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1-c1ccccn1 ZINC000122052557 441831400 /nfs/dbraw/zinc/83/14/00/441831400.db2.gz JGEXEAHIOPTPEA-HNNXBMFYSA-N 0 0 341.411 1.818 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NCCCN1CCCC1=O ZINC000173983977 441873368 /nfs/dbraw/zinc/87/33/68/441873368.db2.gz JVMIVGZQOFIDJT-OAHLLOKOSA-N 0 0 333.432 1.903 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CCO2)[nH]1 ZINC000173756209 441835047 /nfs/dbraw/zinc/83/50/47/441835047.db2.gz NHGCAKHNDHOXRN-HNNXBMFYSA-N 0 0 343.431 1.642 10 0 EDAERN O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173782607 441840708 /nfs/dbraw/zinc/84/07/08/441840708.db2.gz GIXFIVLWVOXVQB-GDBMZVCRSA-N 0 0 331.416 1.626 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2F)C[C@H]1C ZINC000117522922 441873892 /nfs/dbraw/zinc/87/38/92/441873892.db2.gz SFGGVKQTQIJIBR-CYBMUJFWSA-N 0 0 337.395 1.252 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)C[C@@H]1N1CCOCC1 ZINC000173815751 441844036 /nfs/dbraw/zinc/84/40/36/441844036.db2.gz IXJMVVGSQQTGHB-DYVFJYSZSA-N 0 0 341.411 1.321 10 0 EDAERN C[C@@H]1CN(C(=O)CSCc2ccncc2)C[C@H]1N1CCOCC1 ZINC000173830455 441846518 /nfs/dbraw/zinc/84/65/18/441846518.db2.gz MIHWHMCDAQZGKW-GDBMZVCRSA-N 0 0 335.473 1.494 10 0 EDAERN COc1cc(OC)cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173872096 441854293 /nfs/dbraw/zinc/85/42/93/441854293.db2.gz XUBZQCUMQYWWSX-DYVFJYSZSA-N 0 0 334.416 1.497 10 0 EDAERN CC(=O)NCCCCCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122564550 441854338 /nfs/dbraw/zinc/85/43/38/441854338.db2.gz XLYFZAIXURDJRJ-INIZCTEOSA-N 0 0 347.463 1.600 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(C(C)C)nn3C)CCO2)c1 ZINC000174223301 441904842 /nfs/dbraw/zinc/90/48/42/441904842.db2.gz YFVDMOBSANEILE-AWEZNQCLSA-N 0 0 331.420 1.590 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CC=CCC3)C2=O)n(C)n1 ZINC000174372080 441918950 /nfs/dbraw/zinc/91/89/50/441918950.db2.gz VXAOTCWIXJSCPG-LSDHHAIUSA-N 0 0 345.447 1.879 10 0 EDAERN Cc1c(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000119217738 441924529 /nfs/dbraw/zinc/92/45/29/441924529.db2.gz OAGRLPGKYNRKDN-ZDUSSCGKSA-N 0 0 336.436 1.992 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123123224 441876168 /nfs/dbraw/zinc/87/61/68/441876168.db2.gz ZOIKIRRWLXGJGP-KXBFYZLASA-N 0 0 346.427 1.925 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 ZINC000117798798 441878348 /nfs/dbraw/zinc/87/83/48/441878348.db2.gz WZEVBQJQXCVLRU-NVXWUHKLSA-N 0 0 344.415 1.590 10 0 EDAERN C[C@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 ZINC000144271686 441880316 /nfs/dbraw/zinc/88/03/16/441880316.db2.gz XYDNMOZJKOGZLS-LLVKDONJSA-N 0 0 345.370 1.879 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000118061423 441884948 /nfs/dbraw/zinc/88/49/48/441884948.db2.gz OMMWASLPSZPWQD-UHFFFAOYSA-N 0 0 338.415 1.936 10 0 EDAERN COCC(=O)N(C)CC(=O)N[C@H](C)c1ccccc1Br ZINC000123346785 441885013 /nfs/dbraw/zinc/88/50/13/441885013.db2.gz JJSPMARKZCFBJD-SNVBAGLBSA-N 0 0 343.221 1.731 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000118078144 441886104 /nfs/dbraw/zinc/88/61/04/441886104.db2.gz NXLLKJIABFYWJB-UHFFFAOYSA-N 0 0 347.463 1.626 10 0 EDAERN CO[C@@H](CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC000174087363 441886747 /nfs/dbraw/zinc/88/67/47/441886747.db2.gz NPUOHJNYVYGQHR-FZMZJTMJSA-N 0 0 332.400 1.848 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000118134015 441889943 /nfs/dbraw/zinc/88/99/43/441889943.db2.gz CHTSPRCSNIAYAU-UHFFFAOYSA-N 0 0 337.383 1.803 10 0 EDAERN CC(=O)NC1CCN(C(=O)N[C@H](C)COCc2ccccc2)CC1 ZINC000174132899 441891886 /nfs/dbraw/zinc/89/18/86/441891886.db2.gz QTEUKUSUVRPKON-CQSZACIVSA-N 0 0 333.432 1.902 10 0 EDAERN CCOc1cccc([C@@H]2NC(=O)[C@H]3COCCN32)c1OC(F)F ZINC000093884806 441898097 /nfs/dbraw/zinc/89/80/97/441898097.db2.gz ZKCBCXRZULOSLX-ZWNOBZJWSA-N 0 0 328.315 1.516 10 0 EDAERN O=C1N[C@H](C2=Cc3cc(Cl)cc(Cl)c3OC2)N2CCOC[C@@H]12 ZINC000093885033 441898662 /nfs/dbraw/zinc/89/86/62/441898662.db2.gz KLYGRUJNLMQKMF-JSGCOSHPSA-N 0 0 341.194 1.926 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNc2ncnc3nn(C)cc32)ncn1 ZINC000119365720 441931385 /nfs/dbraw/zinc/93/13/85/441931385.db2.gz HGULSSKHRDOEMW-NSHDSACASA-N 0 0 339.407 1.276 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1nc[nH]n1)C(C)C ZINC000174535742 441936010 /nfs/dbraw/zinc/93/60/10/441936010.db2.gz SFRQBIURBWTRCD-GXTWGEPZSA-N 0 0 329.404 1.745 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000150754711 441944957 /nfs/dbraw/zinc/94/49/57/441944957.db2.gz ANSAGSNOSXIQBY-JTQLQIEISA-N 0 0 326.316 1.012 10 0 EDAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119725258 441949114 /nfs/dbraw/zinc/94/91/14/441949114.db2.gz RAAAOITYIUVFAA-QAPCUYQASA-N 0 0 341.415 1.494 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC000150834761 441960250 /nfs/dbraw/zinc/96/02/50/441960250.db2.gz XHQFLQWRCJFUKC-CYBMUJFWSA-N 0 0 349.822 1.978 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000125216094 441998007 /nfs/dbraw/zinc/99/80/07/441998007.db2.gz DACYFKKPZBRXDS-QGZVFWFLSA-N 0 0 349.475 1.419 10 0 EDAERN C[C@@H](CNC(=O)Nc1cccnc1Br)N1CCOCC1 ZINC000120035494 441998157 /nfs/dbraw/zinc/99/81/57/441998157.db2.gz NUIUIQJOGOCZCX-JTQLQIEISA-N 0 0 343.225 1.686 10 0 EDAERN O=C(COc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCCC[C@@H]1CO ZINC000151067827 442000983 /nfs/dbraw/zinc/00/09/83/442000983.db2.gz YBWHFMLBTFPGGD-RHSMWYFYSA-N 0 0 346.427 1.860 10 0 EDAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125131143 441987715 /nfs/dbraw/zinc/98/77/15/441987715.db2.gz SKJAZHZSCWOGRA-KBPBESRZSA-N 0 0 335.452 1.608 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CCCO3)c2)no1 ZINC000120077665 442004546 /nfs/dbraw/zinc/00/45/46/442004546.db2.gz ZUAUIAUPINLJNB-YGRLFVJLSA-N 0 0 344.371 1.667 10 0 EDAERN COc1ccc(CCNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000175289463 442032824 /nfs/dbraw/zinc/03/28/24/442032824.db2.gz QLXGCAWRHUBRCS-HNNXBMFYSA-N 0 0 345.403 1.447 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C12CCCC2 ZINC000120310286 442047116 /nfs/dbraw/zinc/04/71/16/442047116.db2.gz DEAYVXQGBVEIIJ-GJZGRUSLSA-N 0 0 333.432 1.934 10 0 EDAERN CCC[C@H](C(=O)NCc1nnc(-c2ccc(OC)cc2)[n-]1)[NH+](C)C ZINC000162009344 442055078 /nfs/dbraw/zinc/05/50/78/442055078.db2.gz WJYCUXONMONUHS-CQSZACIVSA-N 0 0 331.420 1.827 10 0 EDAERN C[C@@H](CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000125904094 442060354 /nfs/dbraw/zinc/06/03/54/442060354.db2.gz PMIMYUHXEZQEJL-ZFWWWQNUSA-N 0 0 346.452 1.976 10 0 EDAERN Cc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@H](C)c2ccccc2)no1 ZINC000120570786 442095708 /nfs/dbraw/zinc/09/57/08/442095708.db2.gz BWYJBVZFQBXIRG-GHMZBOCLSA-N 0 0 337.401 1.559 10 0 EDAERN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc2ccccc2)[nH]n1 ZINC000162380261 442088322 /nfs/dbraw/zinc/08/83/22/442088322.db2.gz KTCXFQUTZCXKRI-YPMHNXCESA-N 0 0 329.404 1.976 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc2c1OCO2 ZINC000175706098 442109761 /nfs/dbraw/zinc/10/97/61/442109761.db2.gz KZKXXIRYLOIAGO-GFCCVEGCSA-N 0 0 329.360 1.650 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000120666071 442113662 /nfs/dbraw/zinc/11/36/62/442113662.db2.gz ALHFXXZOUAPCKZ-CXAGYDPISA-N 0 0 345.443 1.568 10 0 EDAERN Cc1cnn(Cc2cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)no2)c1 ZINC000151815807 442124447 /nfs/dbraw/zinc/12/44/47/442124447.db2.gz SWTGYGIJGUQJJM-KBPBESRZSA-N 0 0 329.404 1.537 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CO)C2)C1 ZINC000162930265 442131853 /nfs/dbraw/zinc/13/18/53/442131853.db2.gz LXWQKXZETTUJGT-MELADBBJSA-N 0 0 326.437 1.911 10 0 EDAERN CCOc1ncccc1CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175661660 442100528 /nfs/dbraw/zinc/10/05/28/442100528.db2.gz YALFWRJOHHGUSI-GOEBONIOSA-N 0 0 348.447 1.342 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ncn(C)n1 ZINC000120624565 442105949 /nfs/dbraw/zinc/10/59/49/442105949.db2.gz BSKUETFUDUAQSF-AWEZNQCLSA-N 0 0 349.822 1.539 10 0 EDAERN COc1ccccc1C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)C(C)C ZINC000176052117 442167694 /nfs/dbraw/zinc/16/76/94/442167694.db2.gz ZPQHKTATOHTEFM-IAGOWNOFSA-N 0 0 349.475 1.892 10 0 EDAERN CC(C)CCn1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)nn1 ZINC000152126987 442168235 /nfs/dbraw/zinc/16/82/35/442168235.db2.gz CVNCPMWGLPUIRS-CQSZACIVSA-N 0 0 331.424 1.468 10 0 EDAERN CC(C)Oc1cccnc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176072254 442170852 /nfs/dbraw/zinc/17/08/52/442170852.db2.gz KYLBYFQTBZMAEK-LSDHHAIUSA-N 0 0 333.432 1.662 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CCOc3cccc(C(N)=O)c3)C2)cn1 ZINC000176091746 442174467 /nfs/dbraw/zinc/17/44/67/442174467.db2.gz WVIUZZOGTLKMMY-CQSZACIVSA-N 0 0 342.399 1.304 10 0 EDAERN Cc1cnccc1NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000121153362 442183583 /nfs/dbraw/zinc/18/35/83/442183583.db2.gz MQAUMSLTSLRIGV-LLVKDONJSA-N 0 0 334.401 1.920 10 0 EDAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)NCC1CCCCC1 ZINC000126902818 442151988 /nfs/dbraw/zinc/15/19/88/442151988.db2.gz QQRARDPFXJREQQ-ZIAGYGMSSA-N 0 0 330.494 1.580 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000163316284 442157818 /nfs/dbraw/zinc/15/78/18/442157818.db2.gz ZDLJEOPGZXZILJ-OAHLLOKOSA-N 0 0 341.839 1.486 10 0 EDAERN COc1cccc(OCCN2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000152881507 442249518 /nfs/dbraw/zinc/24/95/18/442249518.db2.gz PEENOYLUAIHPQQ-SFHVURJKSA-N 0 0 331.416 1.980 10 0 EDAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000170706706 442251098 /nfs/dbraw/zinc/25/10/98/442251098.db2.gz HMMZJPLDTSPKJJ-HNNXBMFYSA-N 0 0 349.350 1.456 10 0 EDAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1(C)C ZINC000153015947 442256515 /nfs/dbraw/zinc/25/65/15/442256515.db2.gz GGARMCHUCHLCOK-LSDHHAIUSA-N 0 0 330.432 1.767 10 0 EDAERN CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccccc1F ZINC000170718623 442251708 /nfs/dbraw/zinc/25/17/08/442251708.db2.gz PFBAUCNITPCFOJ-GFCCVEGCSA-N 0 0 328.343 1.919 10 0 EDAERN O=C(c1ccc(Br)cc1Cl)N1CCO[C@@H](CO)C1 ZINC000168374205 442223666 /nfs/dbraw/zinc/22/36/66/442223666.db2.gz MDSSGNMLCNQBLP-SECBINFHSA-N 0 0 334.597 1.936 10 0 EDAERN Cn1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1=O ZINC000176454893 442224624 /nfs/dbraw/zinc/22/46/24/442224624.db2.gz PUBNWGJRZMNUMI-CQSZACIVSA-N 0 0 341.415 1.681 10 0 EDAERN COc1ccc([C@H](C)NC(=O)C(=O)Nc2cccnc2)cc1OC ZINC000170348871 442231084 /nfs/dbraw/zinc/23/10/84/442231084.db2.gz JAMIGTHNOYQBSO-NSHDSACASA-N 0 0 329.356 1.915 10 0 EDAERN CCc1ccc(NC(=O)C[S@](=O)Cc2nnnn2C(C)C)cc1 ZINC000176574761 442236113 /nfs/dbraw/zinc/23/61/13/442236113.db2.gz DWZSDTRWSXWGKV-HSZRJFAPSA-N 0 0 335.433 1.704 10 0 EDAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000127988569 442238212 /nfs/dbraw/zinc/23/82/12/442238212.db2.gz PUKXTGVJTFWDCN-CYBMUJFWSA-N 0 0 347.390 1.257 10 0 EDAERN C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000170827028 442269734 /nfs/dbraw/zinc/26/97/34/442269734.db2.gz KJHBXZCTYIQQAO-MSOLQXFVSA-N 0 0 346.475 1.405 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000170832876 442271424 /nfs/dbraw/zinc/27/14/24/442271424.db2.gz OHJXBRJQJFHENV-CQSZACIVSA-N 0 0 327.450 1.023 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)c1ccccc1)c1nnc2n1CCCC2 ZINC000153290460 442273569 /nfs/dbraw/zinc/27/35/69/442273569.db2.gz RDRIRLCUUSXIJL-GXTWGEPZSA-N 0 0 329.404 1.708 10 0 EDAERN COCCn1ccc(NC(=O)N2CCC(c3ccnn3C)CC2)n1 ZINC000153360006 442277831 /nfs/dbraw/zinc/27/78/31/442277831.db2.gz BYZKMXSDWLEWGN-UHFFFAOYSA-N 0 0 332.408 1.675 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000129174562 442304922 /nfs/dbraw/zinc/30/49/22/442304922.db2.gz XGVWAHGEELXMBB-ZMSDIMECSA-N 0 0 330.432 1.202 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)c(C)c1 ZINC000177004240 442283422 /nfs/dbraw/zinc/28/34/22/442283422.db2.gz DGAHXYSGXDIRAC-ZDUSSCGKSA-N 0 0 336.417 1.717 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000170924207 442289266 /nfs/dbraw/zinc/28/92/66/442289266.db2.gz ZWJWMEYZHSXXEG-ROUUACIJSA-N 0 0 340.427 1.801 10 0 EDAERN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N[C@H]1CCCn2ncnc21 ZINC000177330905 442329035 /nfs/dbraw/zinc/32/90/35/442329035.db2.gz RQKNDZJYOOCWQR-JSGCOSHPSA-N 0 0 340.387 1.218 10 0 EDAERN Cc1nc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c(=O)[nH]c1C ZINC000154409655 442337411 /nfs/dbraw/zinc/33/74/11/442337411.db2.gz AOEXBGFNXVQMAB-STQMWFEESA-N 0 0 331.372 1.708 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSC[C@@H](O)CO ZINC000177425683 442339775 /nfs/dbraw/zinc/33/97/75/442339775.db2.gz JWDISXWBMVKLEP-AWEZNQCLSA-N 0 0 335.429 1.514 10 0 EDAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)no1 ZINC000171430216 442347360 /nfs/dbraw/zinc/34/73/60/442347360.db2.gz GWJHDVTUISHPGS-GFCCVEGCSA-N 0 0 340.405 1.626 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000171434558 442347804 /nfs/dbraw/zinc/34/78/04/442347804.db2.gz MIRGDFPZMJWGBR-KGLIPLIRSA-N 0 0 346.431 1.701 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCNC(=O)c2ccco2)cn1 ZINC000171456604 442350230 /nfs/dbraw/zinc/35/02/30/442350230.db2.gz KIVIHJFQZDZNCO-CYBMUJFWSA-N 0 0 331.376 1.290 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C12CCCCC2 ZINC000177498965 442350303 /nfs/dbraw/zinc/35/03/03/442350303.db2.gz KZIIUJQRGUVZRX-BZUAXINKSA-N 0 0 339.480 1.744 10 0 EDAERN COc1c(CNC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)nn1C ZINC000153841694 442306900 /nfs/dbraw/zinc/30/69/00/442306900.db2.gz IVHRIBXCACIVLK-WFASDCNBSA-N 0 0 346.435 1.726 10 0 EDAERN C[C@H](SCc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000129248793 442308393 /nfs/dbraw/zinc/30/83/93/442308393.db2.gz BRMUQTHLZOZYQW-GOEBONIOSA-N 0 0 338.473 1.118 10 0 EDAERN NC(=O)[C@H](NC(=O)N[C@@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000153969830 442314008 /nfs/dbraw/zinc/31/40/08/442314008.db2.gz AYIZBZIICLGNOI-UKRRQHHQSA-N 0 0 329.331 1.785 10 0 EDAERN CC[NH+](CC)CC(=O)N1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000171684786 442370284 /nfs/dbraw/zinc/37/02/84/442370284.db2.gz SAOVTMCFENVBBX-LJQANCHMSA-N 0 0 333.476 1.380 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000177713053 442374396 /nfs/dbraw/zinc/37/43/96/442374396.db2.gz IFTDMNXPLQRHIX-VUDGCMKMSA-N 0 0 326.356 1.980 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc(I)c[nH]1 ZINC000155130656 442377279 /nfs/dbraw/zinc/37/72/79/442377279.db2.gz BOHMSYZWUPMBGI-OCAPTIKFSA-N 0 0 334.157 1.869 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)Nc3cnc(N(C)C)nc3)C2)no1 ZINC000155193109 442381212 /nfs/dbraw/zinc/38/12/12/442381212.db2.gz GUATWZVMQVCCLI-LBPRGKRZSA-N 0 0 345.407 1.721 10 0 EDAERN CN(C)C(=O)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171800502 442381828 /nfs/dbraw/zinc/38/18/28/442381828.db2.gz GULRQXBPCORSDM-MAUKXSAKSA-N 0 0 345.443 1.581 10 0 EDAERN COc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)nn1C ZINC000171791303 442381835 /nfs/dbraw/zinc/38/18/35/442381835.db2.gz NLSWCLDDJXQGGC-JTQLQIEISA-N 0 0 331.372 1.999 10 0 EDAERN CCOC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171801185 442382664 /nfs/dbraw/zinc/38/26/64/442382664.db2.gz GPDXPJUXUHVXGO-YOEHRIQHSA-N 0 0 332.400 1.618 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1cccnc1 ZINC000155273206 442384790 /nfs/dbraw/zinc/38/47/90/442384790.db2.gz MRIICAICDODOGP-AAEUAGOBSA-N 0 0 331.376 1.238 10 0 EDAERN Cc1cccc2nc(CNC(=O)N[C@H]3CCc4ncnn4C3)cn21 ZINC000171871056 442386763 /nfs/dbraw/zinc/38/67/63/442386763.db2.gz UTCUCSXARLWMQE-LBPRGKRZSA-N 0 0 325.376 1.048 10 0 EDAERN Cn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)ccc1=O ZINC000171993207 442396758 /nfs/dbraw/zinc/39/67/58/442396758.db2.gz OCKYRUDHUOHGJB-YJBOKZPZSA-N 0 0 339.395 1.934 10 0 EDAERN CCc1nc(CN2CCN(Cc3nnc(CC)n3C)CC2)cs1 ZINC000171560866 442357339 /nfs/dbraw/zinc/35/73/39/442357339.db2.gz PAKSCMDLGUTHBE-UHFFFAOYSA-N 0 0 334.493 1.714 10 0 EDAERN O=C(C[C@H]1C(=O)Nc2ccccc21)N1CCC[C@H](n2cncn2)C1 ZINC000171580930 442359232 /nfs/dbraw/zinc/35/92/32/442359232.db2.gz LNKPGJFGDOAREB-GXTWGEPZSA-N 0 0 325.372 1.568 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(CC(=O)NC(=O)NC2CCCC2)C1 ZINC000171613131 442362197 /nfs/dbraw/zinc/36/21/97/442362197.db2.gz ZKSBSEJZPTVMTI-OAHLLOKOSA-N 0 0 347.463 1.851 10 0 EDAERN Cc1cc(CC(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)[nH]n1 ZINC000154890138 442363082 /nfs/dbraw/zinc/36/30/82/442363082.db2.gz BITQVPWTTONYRB-UHFFFAOYSA-N 0 0 344.463 1.557 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)N[C@H]3CCCOC3)CC2)cs1 ZINC000172185382 442420414 /nfs/dbraw/zinc/42/04/14/442420414.db2.gz BMQMBASWZBQGIS-AWEZNQCLSA-N 0 0 338.477 1.848 10 0 EDAERN Cc1cccc2c1N(C(=O)C(=O)N1CC[C@H](c3cnn(C)c3)C1)CC2 ZINC000172206339 442423904 /nfs/dbraw/zinc/42/39/04/442423904.db2.gz MAZNRTKYZBKTJY-HNNXBMFYSA-N 0 0 338.411 1.634 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1cn3ccccc3n1)CC2 ZINC000172419562 442457493 /nfs/dbraw/zinc/45/74/93/442457493.db2.gz IYFNHWCZXGKJOI-ZDUSSCGKSA-N 0 0 338.415 1.723 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCCCN(C)c1ccccc1)C(C)C ZINC000178457177 442435973 /nfs/dbraw/zinc/43/59/73/442435973.db2.gz CPSLPIFPCPCSJO-MRXNPFEDSA-N 0 0 334.464 1.973 10 0 EDAERN CCOCCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000178512688 442439840 /nfs/dbraw/zinc/43/98/40/442439840.db2.gz JRQORGIONNWYHP-KGLIPLIRSA-N 0 0 341.477 1.846 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)C[C@@H]1C ZINC000172322638 442444024 /nfs/dbraw/zinc/44/40/24/442444024.db2.gz FWCLOXJUVMDLJM-KBPBESRZSA-N 0 0 345.447 1.986 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2CCOc3ccccc32)C[C@@H]1C ZINC000172321757 442444149 /nfs/dbraw/zinc/44/41/49/442444149.db2.gz OMHQLUIWZZXGAV-GOEBONIOSA-N 0 0 333.432 1.872 10 0 EDAERN Cn1cnc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000179740064 442496631 /nfs/dbraw/zinc/49/66/31/442496631.db2.gz VZUIKIJFKVASCF-CZUORRHYSA-N 0 0 327.388 1.041 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1nc[nH]n1)C(C)C ZINC000172616319 442505539 /nfs/dbraw/zinc/50/55/39/442505539.db2.gz PMZYGSVPOZJERA-HNNXBMFYSA-N 0 0 329.404 1.526 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000191766088 442506848 /nfs/dbraw/zinc/50/68/48/442506848.db2.gz LABDRYUUUSSTPG-ZDUSSCGKSA-N 0 0 334.391 1.611 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCn1ccnc1)CC2 ZINC000172505463 442476330 /nfs/dbraw/zinc/47/63/30/442476330.db2.gz PFIQYUJVJHVLFC-ZDUSSCGKSA-N 0 0 331.424 1.302 10 0 EDAERN CCNS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000178765244 442478008 /nfs/dbraw/zinc/47/80/08/442478008.db2.gz UMOGGJWNMSWELA-NWDGAFQWSA-N 0 0 338.351 1.667 10 0 EDAERN CCc1nn(C)c(CC)c1CC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000191888841 442533886 /nfs/dbraw/zinc/53/38/86/442533886.db2.gz BDIQUUHCIACWRI-CQSZACIVSA-N 0 0 336.480 1.267 10 0 EDAERN Cc1nc(CC2CC2)sc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000191892392 442534803 /nfs/dbraw/zinc/53/48/03/442534803.db2.gz QHBWGYBFHRGHDA-CQSZACIVSA-N 0 0 335.473 1.951 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(NC=O)cc2)C12CCOCC2 ZINC000186462052 442539064 /nfs/dbraw/zinc/53/90/64/442539064.db2.gz LSGMUDMLNQBWIS-HOTGVXAUSA-N 0 0 332.400 1.959 10 0 EDAERN CN(C(=O)CCOCC(F)F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191915604 442539785 /nfs/dbraw/zinc/53/97/85/442539785.db2.gz MUFCTZOEXQKRMG-GFCCVEGCSA-N 0 0 328.363 1.576 10 0 EDAERN O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172769216 442540191 /nfs/dbraw/zinc/54/01/91/442540191.db2.gz BWXKMRFLAYHFNI-KRWDZBQOSA-N 0 0 326.400 1.419 10 0 EDAERN CCc1csc([C@@H]2CCCN(C(=O)CN(C)C(=O)COC)C2)n1 ZINC000134712160 442515139 /nfs/dbraw/zinc/51/51/39/442515139.db2.gz BOTWLZFHBZBWFP-GFCCVEGCSA-N 0 0 339.461 1.516 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccc(C(=O)NC(C)C)cc1)C(C)C ZINC000178923936 442526733 /nfs/dbraw/zinc/52/67/33/442526733.db2.gz VHDMZTUNAIPAIQ-CQSZACIVSA-N 0 0 334.420 1.717 10 0 EDAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@H](N3CCOCC3)C1)C2 ZINC000172746669 442531307 /nfs/dbraw/zinc/53/13/07/442531307.db2.gz ZFFNDWVFFJDBTL-HOTGVXAUSA-N 0 0 346.427 1.179 10 0 EDAERN CC(C)c1noc(CCC(=O)N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000135241046 442570778 /nfs/dbraw/zinc/57/07/78/442570778.db2.gz YVBAQLTWLPWWNA-NSHDSACASA-N 0 0 332.408 1.931 10 0 EDAERN O=C(NCC1CCS(=O)(=O)CC1)N[C@H]1CCOc2ccccc21 ZINC000179113303 442575017 /nfs/dbraw/zinc/57/50/17/442575017.db2.gz NIEYWLFKFXMGSR-AWEZNQCLSA-N 0 0 338.429 1.634 10 0 EDAERN Cc1cccn2c1ncc(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c2=O ZINC000180326327 442581434 /nfs/dbraw/zinc/58/14/34/442581434.db2.gz GGYJUSGNSFGKOQ-LBPRGKRZSA-N 0 0 345.399 1.805 10 0 EDAERN Cc1sc(=O)n(CCC(=O)N[C@@H](C)c2nnc3n2CCCC3)c1C ZINC000135335331 442582260 /nfs/dbraw/zinc/58/22/60/442582260.db2.gz DRJCVTHZHGDFLY-JTQLQIEISA-N 0 0 349.460 1.722 10 0 EDAERN C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1nnc2n1CCCC2 ZINC000135337508 442582339 /nfs/dbraw/zinc/58/23/39/442582339.db2.gz MVGDKSVQHYEJLD-NSHDSACASA-N 0 0 337.424 1.659 10 0 EDAERN C[C@H]1Cc2ccccc2N1C(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186681090 442589943 /nfs/dbraw/zinc/58/99/43/442589943.db2.gz RHJABIIEUZVRQQ-AWEZNQCLSA-N 0 0 345.443 1.445 10 0 EDAERN CO[C@](C)(C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1F ZINC000192098460 442591197 /nfs/dbraw/zinc/59/11/97/442591197.db2.gz CHWZQPSIJIZLRI-KSSFIOAISA-N 0 0 347.390 1.811 10 0 EDAERN C[C@H](CNC(=O)N(C)[C@@H]1CCCc2c1cnn2C)N1CCOCC1 ZINC000157558669 442592903 /nfs/dbraw/zinc/59/29/03/442592903.db2.gz HRGWZKXHIQHTQR-UKRRQHHQSA-N 0 0 335.452 1.160 10 0 EDAERN Cc1cc(-n2cncn2)ccc1C(=O)NC[C@H](C)N1CCOCC1 ZINC000173067844 442598207 /nfs/dbraw/zinc/59/82/07/442598207.db2.gz NBCOZEHTOPOJCZ-AWEZNQCLSA-N 0 0 329.404 1.026 10 0 EDAERN CCCS(=O)(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192149879 442603276 /nfs/dbraw/zinc/60/32/76/442603276.db2.gz CEBIKDVDAZPUST-UHFFFAOYSA-N 0 0 334.482 1.464 10 0 EDAERN CC(C)OCCC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000135509816 442604714 /nfs/dbraw/zinc/60/47/14/442604714.db2.gz CJLDOYFJDYVJGU-UHFFFAOYSA-N 0 0 336.436 1.796 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)ccc1F ZINC000179250847 442605993 /nfs/dbraw/zinc/60/59/93/442605993.db2.gz NPCPZHFFQURDSJ-DGCLKSJQSA-N 0 0 344.408 1.015 10 0 EDAERN Cc1ccccc1[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1CO)NC(N)=O ZINC000179254314 442606812 /nfs/dbraw/zinc/60/68/12/442606812.db2.gz HZGNNFCUMJRMKI-BMFZPTHFSA-N 0 0 333.432 1.762 10 0 EDAERN COC(=O)Cn1ccc(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)n1 ZINC000173281358 442640804 /nfs/dbraw/zinc/64/08/04/442640804.db2.gz ANVWFVDWHNBIPE-ZDUSSCGKSA-N 0 0 346.391 1.430 10 0 EDAERN CC(C)Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000180485445 442610146 /nfs/dbraw/zinc/61/01/46/442610146.db2.gz ZUSNWYHJGXKWCK-PBHICJAKSA-N 0 0 347.459 1.778 10 0 EDAERN Cc1ccc([C@H]2CCCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)o1 ZINC000173190210 442620286 /nfs/dbraw/zinc/62/02/86/442620286.db2.gz RJIBSJXPOPTGFI-GFCCVEGCSA-N 0 0 333.388 1.972 10 0 EDAERN CC(C)N1CC[C@H](NC(=O)N[C@@H](C)COCc2ccccc2)C1=O ZINC000173249981 442632665 /nfs/dbraw/zinc/63/26/65/442632665.db2.gz ZVQRKHLGZPVBPF-HOCLYGCPSA-N 0 0 333.432 1.900 10 0 EDAERN NC(=O)c1cccc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000192727183 442680895 /nfs/dbraw/zinc/68/08/95/442680895.db2.gz CPTFEDKGTHHZSS-UHFFFAOYSA-N 0 0 341.411 1.665 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCN1C(=O)CCC1=O)[C@H](C)C2 ZINC000181284315 442688134 /nfs/dbraw/zinc/68/81/34/442688134.db2.gz LSUMOYVDONGPAU-SJKOYZFVSA-N 0 0 329.400 1.677 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCCN1C(=O)CCC1=O)[C@@H](C)C2 ZINC000181284373 442688255 /nfs/dbraw/zinc/68/82/55/442688255.db2.gz LSUMOYVDONGPAU-SJCJKPOMSA-N 0 0 329.400 1.677 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000188072343 442707888 /nfs/dbraw/zinc/70/78/88/442707888.db2.gz SKPZIRZCUIXGFU-VIFPVBQESA-N 0 0 332.385 1.376 10 0 EDAERN COc1ccc(CC(C)(C)NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000187195353 442659875 /nfs/dbraw/zinc/65/98/75/442659875.db2.gz VVNAQRHKCWZEFU-AWEZNQCLSA-N 0 0 343.431 1.922 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000187233870 442662353 /nfs/dbraw/zinc/66/23/53/442662353.db2.gz LPTGYQBHNGVXRW-PWSUYJOCSA-N 0 0 336.408 1.155 10 0 EDAERN C[C@@H]1c2cccn2CCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193142720 442717010 /nfs/dbraw/zinc/71/70/10/442717010.db2.gz NOTGJOMDUYGUEZ-KGLIPLIRSA-N 0 0 339.395 1.522 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000193168101 442719210 /nfs/dbraw/zinc/71/92/10/442719210.db2.gz UZIQGTFYTZYERA-CQSZACIVSA-N 0 0 346.431 1.544 10 0 EDAERN O=C([C@@H]1COCCN1C1CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000193312506 442731746 /nfs/dbraw/zinc/73/17/46/442731746.db2.gz ISKUZWSCTOYFDF-KRWDZBQOSA-N 0 0 332.448 1.759 10 0 EDAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cccc2n[nH]nc21 ZINC000188270973 442732055 /nfs/dbraw/zinc/73/20/55/442732055.db2.gz HRWFUJFKWONDJW-CQSZACIVSA-N 0 0 340.383 1.608 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(=O)N1CC(CO)C1)c1cccs1 ZINC000182106490 442736696 /nfs/dbraw/zinc/73/66/96/442736696.db2.gz AOIMWRNANARFRW-OAHLLOKOSA-N 0 0 344.436 1.540 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)c(Br)c1 ZINC000193391106 442738407 /nfs/dbraw/zinc/73/84/07/442738407.db2.gz XRRMWFFLFPWHLZ-BXKDBHETSA-N 0 0 345.168 1.508 10 0 EDAERN COCC(=O)NC1CN(C(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000188420968 442748580 /nfs/dbraw/zinc/74/85/80/442748580.db2.gz GGCJJHMEKVDBKF-INIZCTEOSA-N 0 0 333.432 1.583 10 0 EDAERN COc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)c(OCC2CC2)c1 ZINC000188445875 442750956 /nfs/dbraw/zinc/75/09/56/442750956.db2.gz RIGDKCVBCVYSON-ZDUSSCGKSA-N 0 0 342.399 1.820 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](COCC(C)C)c1ccco1 ZINC000193054361 442708807 /nfs/dbraw/zinc/70/88/07/442708807.db2.gz GVGFCGJEROIMCI-RBSFLKMASA-N 0 0 338.404 1.091 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CCO[C@H]3CCCCO3)CC2)n1 ZINC000181690584 442709952 /nfs/dbraw/zinc/70/99/52/442709952.db2.gz POMVDPSURFBRFK-ZBFHGGJFSA-N 0 0 338.452 1.854 10 0 EDAERN Cc1nc([C@@H]2CN(CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)n[nH]1 ZINC000181722093 442712484 /nfs/dbraw/zinc/71/24/84/442712484.db2.gz FIRHCEDVKYKNQP-HNNXBMFYSA-N 0 0 349.479 1.771 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCCCSC ZINC000188116096 442713311 /nfs/dbraw/zinc/71/33/11/442713311.db2.gz GEAOFBWUPJICPQ-CYBMUJFWSA-N 0 0 336.523 1.840 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2sc(C)nc2C)CC1 ZINC000181733010 442713324 /nfs/dbraw/zinc/71/33/24/442713324.db2.gz AVPUKYYTEFWGCH-AWEZNQCLSA-N 0 0 340.493 1.401 10 0 EDAERN CC1(C)CN(CCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CCO1 ZINC000182591893 442792003 /nfs/dbraw/zinc/79/20/03/442792003.db2.gz KDMLOKHRUSZBQJ-OAHLLOKOSA-N 0 0 335.452 1.757 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CC)c1nccs1 ZINC000246657027 442799893 /nfs/dbraw/zinc/79/98/93/442799893.db2.gz KBWMEZJEDMYWDE-VXGBXAGGSA-N 0 0 345.490 1.915 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)COCc2cc(C)no2)C12CCOCC2 ZINC000193883584 442805208 /nfs/dbraw/zinc/80/52/08/442805208.db2.gz ITHWVEMAJPXBJZ-CABCVRRESA-N 0 0 338.404 1.590 10 0 EDAERN Cc1cc(COCC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)on1 ZINC000193605221 442758875 /nfs/dbraw/zinc/75/88/75/442758875.db2.gz ZIEKVIYFEMPINO-CYBMUJFWSA-N 0 0 334.376 1.672 10 0 EDAERN COCCCOc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188566352 442763863 /nfs/dbraw/zinc/76/38/63/442763863.db2.gz MWNIDNBPZXCCSP-UHFFFAOYSA-N 0 0 346.427 1.843 10 0 EDAERN O[C@@H](COCc1ccc(Cl)cc1)CN1CCOC[C@@]12CCOC2 ZINC000193672614 442765989 /nfs/dbraw/zinc/76/59/89/442765989.db2.gz PVTAHVWASWLNKN-SJORKVTESA-N 0 0 341.835 1.709 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cn(C(C)(C)C)nc3C)CCO2)[nH]1 ZINC000182482028 442774230 /nfs/dbraw/zinc/77/42/30/442774230.db2.gz DUOWZFPVAHYMGR-CYBMUJFWSA-N 0 0 332.408 1.587 10 0 EDAERN CO[C@H](C)[C@H](C)NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000188867044 442831425 /nfs/dbraw/zinc/83/14/25/442831425.db2.gz STDIIQVAIFSQBE-SWLSCSKDSA-N 0 0 337.468 1.288 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2COc3ccccc3C2)C1)C1CCC1 ZINC000188809594 442818094 /nfs/dbraw/zinc/81/80/94/442818094.db2.gz KGDDRRYFWOFLSZ-AWEZNQCLSA-N 0 0 329.400 1.300 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C(C)C)N2CCCC2=O)C[C@@H]1C ZINC000246934475 442822725 /nfs/dbraw/zinc/82/27/25/442822725.db2.gz BWMTXHDAQJEIMR-RDJZCZTQSA-N 0 0 339.480 1.203 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)ccc2C)CCN1C[C@H](C)O ZINC000247108321 442836135 /nfs/dbraw/zinc/83/61/35/442836135.db2.gz QWXCTMHLHFCCHF-HOTGVXAUSA-N 0 0 347.459 1.546 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000188893563 442837025 /nfs/dbraw/zinc/83/70/25/442837025.db2.gz AGYVOFXVRKKIDY-GFCCVEGCSA-N 0 0 328.372 1.406 10 0 EDAERN Cc1cc(-n2c(C)cc(C(=O)N3CCCNC(=O)[C@H]3C)c2C)no1 ZINC000188923601 442843053 /nfs/dbraw/zinc/84/30/53/442843053.db2.gz WPPHLAUFOXYNRM-CYBMUJFWSA-N 0 0 330.388 1.741 10 0 EDAERN CC(C)(CNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccncc1 ZINC000188913163 442841400 /nfs/dbraw/zinc/84/14/00/442841400.db2.gz YCOCVEPDFXLHKK-UHFFFAOYSA-N 0 0 330.432 1.669 10 0 EDAERN Fc1ccccc1-c1noc(CN2CC[C@H](N3CCOCC3)C2)n1 ZINC000189050294 442867312 /nfs/dbraw/zinc/86/73/12/442867312.db2.gz IXBUOAFFSJPSEQ-ZDUSSCGKSA-N 0 0 332.379 1.782 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)c3ccccc3)C2=O)n(C)n1 ZINC000194365950 442884079 /nfs/dbraw/zinc/88/40/79/442884079.db2.gz VAXISRXIDBBXBA-CQSZACIVSA-N 0 0 340.383 1.223 10 0 EDAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000179418888 318458663 /nfs/dbraw/zinc/45/86/63/318458663.db2.gz LBJKAJARNLZNHK-WBVHZDCISA-N 0 0 341.496 1.088 10 0 EDAERN C[C@@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@H]1CCCO1 ZINC000183136269 442886484 /nfs/dbraw/zinc/88/64/84/442886484.db2.gz WBIPYRGRWVDSII-CRAIPNDOSA-N 0 0 347.459 1.614 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C12CCOCC2 ZINC000248586450 442903447 /nfs/dbraw/zinc/90/34/47/442903447.db2.gz VZYMKRLTUFKWCJ-APHBMKBZSA-N 0 0 333.432 1.920 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(OC(F)(F)Cl)cc2)C1 ZINC000194476753 442904395 /nfs/dbraw/zinc/90/43/95/442904395.db2.gz JIMQYKQGIMJRGD-GFCCVEGCSA-N 0 0 334.750 1.915 10 0 EDAERN NC(=O)Cn1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cn1 ZINC000194506201 442908917 /nfs/dbraw/zinc/90/89/17/442908917.db2.gz RONOQKWESQYBMO-ZBFHGGJFSA-N 0 0 328.372 1.475 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CC1(CC(=O)OC)CCCC1)CC2 ZINC000189292611 442913939 /nfs/dbraw/zinc/91/39/39/442913939.db2.gz NGCMADUTVGZARB-CYBMUJFWSA-N 0 0 348.447 1.785 10 0 EDAERN COc1ccc([C@H](NC(=O)CN2CCCNC(=O)[C@H]2C)C2CC2)cc1 ZINC000189299881 442915604 /nfs/dbraw/zinc/91/56/04/442915604.db2.gz FQMINHAQVCPNRB-FZKQIMNGSA-N 0 0 345.443 1.473 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000189356333 442928530 /nfs/dbraw/zinc/92/85/30/442928530.db2.gz GYKOVGGGEGCBLW-LSDHHAIUSA-N 0 0 340.387 1.921 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCOC1)C(C)C ZINC000194860513 442962221 /nfs/dbraw/zinc/96/22/21/442962221.db2.gz SSLFSYFOZMWFCA-PBHICJAKSA-N 0 0 348.443 1.992 10 0 EDAERN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1CNC(=O)C1 ZINC000194868444 318593735 /nfs/dbraw/zinc/59/37/35/318593735.db2.gz GTCKCCSZHWTRHF-HNNXBMFYSA-N 0 0 326.400 1.366 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(Cc2c(C)noc2C)CC1 ZINC000195186343 442994400 /nfs/dbraw/zinc/99/44/00/442994400.db2.gz ZGKVFTGFLNVUHR-MRXNPFEDSA-N 0 0 325.453 1.587 10 0 EDAERN Cn1cnc(-c2ccc(C(=O)N3CCC[C@@H]3Cn3ccnc3)cc2)n1 ZINC000184140062 442995380 /nfs/dbraw/zinc/99/53/80/442995380.db2.gz GZHDZMOFDIJRHM-MRXNPFEDSA-N 0 0 336.399 1.983 10 0 EDAERN CCOC(=O)[C@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000194757385 442950851 /nfs/dbraw/zinc/95/08/51/442950851.db2.gz RWJPHUZKDRPXEG-ZIAGYGMSSA-N 0 0 340.807 1.391 10 0 EDAERN CCn1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000249878361 443008229 /nfs/dbraw/zinc/00/82/29/443008229.db2.gz MPVRIOCJKKCEQV-BZUAXINKSA-N 0 0 338.452 1.034 10 0 EDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000189807443 443014502 /nfs/dbraw/zinc/01/45/02/443014502.db2.gz JGDNLWCANGWNOU-YPMHNXCESA-N 0 0 340.386 1.945 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)cn1 ZINC000184196476 443000953 /nfs/dbraw/zinc/00/09/53/443000953.db2.gz ADDDXGZZOBUSKA-SJCJKPOMSA-N 0 0 341.415 1.993 10 0 EDAERN Cc1nccc(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000190371919 443095312 /nfs/dbraw/zinc/09/53/12/443095312.db2.gz KAUYKULZFWJPRJ-ZFWWWQNUSA-N 0 0 332.429 1.764 10 0 EDAERN O=C(NCc1nccc(N2CCOCC2)n1)Nc1cc(F)cc(F)c1 ZINC000224172065 443096818 /nfs/dbraw/zinc/09/68/18/443096818.db2.gz OZQCICYGMHYRFH-UHFFFAOYSA-N 0 0 349.341 1.913 10 0 EDAERN Cc1cc(C)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1C ZINC000224239795 443097813 /nfs/dbraw/zinc/09/78/13/443097813.db2.gz DOHDPPINIPEJLG-UHFFFAOYSA-N 0 0 334.445 1.946 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)C12CCOCC2 ZINC000185078450 443131739 /nfs/dbraw/zinc/13/17/39/443131739.db2.gz JYRTWBNZTPLZNS-KGLIPLIRSA-N 0 0 340.464 1.629 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)s1 ZINC000190590563 443143422 /nfs/dbraw/zinc/14/34/22/443143422.db2.gz XULCJFLVLQOBOL-QWRGUYRKSA-N 0 0 325.434 1.872 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)s1 ZINC000190590395 443143756 /nfs/dbraw/zinc/14/37/56/443143756.db2.gz RCTSCJMPMPFYKE-JQWIXIFHSA-N 0 0 325.434 1.701 10 0 EDAERN O=C(Nc1ccc(OC2COC2)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000190430464 443107603 /nfs/dbraw/zinc/10/76/03/443107603.db2.gz JDIZFMFBBCOJGM-GFCCVEGCSA-N 0 0 329.360 1.192 10 0 EDAERN Cc1nc2c(nccc2C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)[nH]1 ZINC000225495150 443107978 /nfs/dbraw/zinc/10/79/78/443107978.db2.gz BYQYPHVDZZFDLC-AAEUAGOBSA-N 0 0 326.360 1.260 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000190465798 443113761 /nfs/dbraw/zinc/11/37/61/443113761.db2.gz OGGHSNJOVSKRHR-AWEZNQCLSA-N 0 0 344.415 1.277 10 0 EDAERN CC(=O)N[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1CO ZINC000257180076 443117975 /nfs/dbraw/zinc/11/79/75/443117975.db2.gz DFCBVAGDEXYORK-GXFFZTMASA-N 0 0 330.306 1.274 10 0 EDAERN CC(=O)NC1CN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC000190510757 443123997 /nfs/dbraw/zinc/12/39/97/443123997.db2.gz ZSWHDTBBNIAJEZ-VOTSOKGWSA-N 0 0 328.290 1.945 10 0 EDAERN CC1(Cn2cc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)nn2)COC1 ZINC000185149631 443147845 /nfs/dbraw/zinc/14/78/45/443147845.db2.gz GCYJEAPXUVVQIX-GUYCJALGSA-N 0 0 334.420 1.082 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)NCCc2ccccc2C)n1 ZINC000185076797 443130923 /nfs/dbraw/zinc/13/09/23/443130923.db2.gz SAULLQOKBAIYCF-MRXNPFEDSA-N 0 0 344.415 1.419 10 0 EDAERN NC(=O)c1nc(OC(F)(F)F)ccc1I ZINC000238654194 443196392 /nfs/dbraw/zinc/19/63/92/443196392.db2.gz QDTPSLWFXGIYLT-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cnc(Cc3ccccc3)s2)C1 ZINC000185243049 443168440 /nfs/dbraw/zinc/16/84/40/443168440.db2.gz MTRINOBUWQDKMI-UHFFFAOYSA-N 0 0 345.424 1.321 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000185242450 443168843 /nfs/dbraw/zinc/16/88/43/443168843.db2.gz VPEVEBBWSJETLH-ZDUSSCGKSA-N 0 0 326.396 1.917 10 0 EDAERN COC[C@@H](C)CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190715346 443169816 /nfs/dbraw/zinc/16/98/16/443169816.db2.gz WMYQJCSURCBHBJ-RDJZCZTQSA-N 0 0 334.464 1.827 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCn2ccc3cc(Cl)ccc32)C1 ZINC000185256174 443171309 /nfs/dbraw/zinc/17/13/09/443171309.db2.gz RUTBRBXPNQKBSF-UHFFFAOYSA-N 0 0 349.818 1.658 10 0 EDAERN C[C@H](O)CN(C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)[C@@H](C)CO ZINC000190635811 443153969 /nfs/dbraw/zinc/15/39/69/443153969.db2.gz QIJQEDMXHCEKAM-KKUMJFAQSA-N 0 0 346.431 1.707 10 0 EDAERN Cc1cnc2c(cccc2S(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190982768 443219449 /nfs/dbraw/zinc/21/94/49/443219449.db2.gz ASHMMFJUHYWMEP-GFCCVEGCSA-N 0 0 333.413 1.442 10 0 EDAERN CNC(=O)C1CN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000185604437 443225541 /nfs/dbraw/zinc/22/55/41/443225541.db2.gz WBONGAWFEJVCEO-LBPRGKRZSA-N 0 0 329.322 1.547 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2cnccn2)C12CCOCC2 ZINC000185665580 443235602 /nfs/dbraw/zinc/23/56/02/443235602.db2.gz MOIFLSXFKFGTHO-CABCVRRESA-N 0 0 334.420 1.592 10 0 EDAERN COC(=O)Cc1cccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000191111160 443242407 /nfs/dbraw/zinc/24/24/07/443242407.db2.gz BOSVIRSTMBYOAO-GFCCVEGCSA-N 0 0 343.387 1.552 10 0 EDAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000185475237 443205941 /nfs/dbraw/zinc/20/59/41/443205941.db2.gz GOHGKXNYHUGRTH-KGLIPLIRSA-N 0 0 337.468 1.765 10 0 EDAERN Cc1cccc(C[C@H](CO)NC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000191152944 443249576 /nfs/dbraw/zinc/24/95/76/443249576.db2.gz ACGFAUKDSPRMHN-UKRRQHHQSA-N 0 0 330.384 1.426 10 0 EDAERN C[C@@H]1[C@@H](O)CCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000384908393 319127691 /nfs/dbraw/zinc/12/76/91/319127691.db2.gz YAXOVPPJRWNRJX-SKDRFNHKSA-N 0 0 334.235 1.983 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185779691 443256077 /nfs/dbraw/zinc/25/60/77/443256077.db2.gz KLPVPQDLZTYDRE-LLVKDONJSA-N 0 0 339.346 1.831 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3cn(C(C)(C)C)nn3)CC2)n1 ZINC000191339710 443281513 /nfs/dbraw/zinc/28/15/13/443281513.db2.gz GNAHJWZYYZBGPV-UHFFFAOYSA-N 0 0 345.451 1.544 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)Nc3cnn(CCOC)c3)CCO2)cn1 ZINC000191405415 443291768 /nfs/dbraw/zinc/29/17/68/443291768.db2.gz UCZXEYHLHRLFPQ-OAHLLOKOSA-N 0 0 348.407 1.351 10 0 EDAERN COCCN(C)c1ccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)cn1 ZINC000191425798 443292930 /nfs/dbraw/zinc/29/29/30/443292930.db2.gz LIPGTBOUEOSHOM-HNNXBMFYSA-N 0 0 346.435 1.164 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1CC ZINC000186013577 443297209 /nfs/dbraw/zinc/29/72/09/443297209.db2.gz FPCNYCNHMXETAA-OAHLLOKOSA-N 0 0 341.477 1.390 10 0 EDAERN COCc1ccccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299741912 444129899 /nfs/dbraw/zinc/12/98/99/444129899.db2.gz HSIMVQJEPLHABF-VXGBXAGGSA-N 0 0 330.306 1.569 10 0 EDAERN CN(C)c1ccc(N[C@@H]2CCCN(C(=O)Cn3cccn3)CC2)cn1 ZINC000328631544 444403213 /nfs/dbraw/zinc/40/32/13/444403213.db2.gz KPIQZJACJRZKBI-OAHLLOKOSA-N 0 0 342.447 1.837 10 0 EDAERN Cc1nnc2n1CCN(C1CN(C(=O)c3cccn3C3CC3)C1)C2 ZINC000328635620 444406369 /nfs/dbraw/zinc/40/63/69/444406369.db2.gz NMZHCKDSLCLBRU-UHFFFAOYSA-N 0 0 326.404 1.063 10 0 EDAERN Nc1ccc(N[C@@H]2CCCN(C(=O)Cc3cccnc3)CC2)cn1 ZINC000328651128 444414959 /nfs/dbraw/zinc/41/49/59/444414959.db2.gz VWGXONJAALKFPP-OAHLLOKOSA-N 0 0 325.416 2.095 10 0 EDAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000580693535 322082622 /nfs/dbraw/zinc/08/26/22/322082622.db2.gz VAJRJPNFKWTDTM-BLLLJJGKSA-N 0 0 331.416 1.045 10 0 EDAERN COc1ccc(Br)cc1C(=O)N1CCO[C@@H](CO)C1 ZINC000387998038 325723040 /nfs/dbraw/zinc/72/30/40/325723040.db2.gz NUDWOHNBGYBFTA-SNVBAGLBSA-N 0 0 330.178 1.291 10 0 EDAERN C[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173625 450433914 /nfs/dbraw/zinc/43/39/14/450433914.db2.gz YFGYAGOVWBHTTA-BXKDBHETSA-N 0 0 331.380 1.230 10 0 EDAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Br)ccc2O)C1 ZINC000388661683 447480308 /nfs/dbraw/zinc/48/03/08/447480308.db2.gz BNCVVHHJFGMJSM-UWVGGRQHSA-N 0 0 330.178 1.377 10 0 EDAERN COc1c(F)ccc(I)c1S(N)(=O)=O ZINC000575705150 447880895 /nfs/dbraw/zinc/88/08/95/447880895.db2.gz ITWHNSVRYBGXFF-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000583616334 448442722 /nfs/dbraw/zinc/44/27/22/448442722.db2.gz GUFJZOAFIAMIGU-YUELXQCFSA-N 0 0 343.420 1.685 10 0 EDAERN O=C(CCc1ccc(F)cc1F)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617689 448444996 /nfs/dbraw/zinc/44/49/96/448444996.db2.gz FGEHZIJGYRDRDB-INIZCTEOSA-N 0 0 336.342 1.526 10 0 EDAERN Cn1nccc1[C@H]1[C@H](Nc2ncnc3ccc(F)cc32)CC(=O)N1C ZINC000583617831 448445428 /nfs/dbraw/zinc/44/54/28/448445428.db2.gz XDMBTHDLUQAGTE-CZUORRHYSA-N 0 0 340.362 1.886 10 0 EDAERN Cn1cnnc1[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CCO1 ZINC000583623942 448454417 /nfs/dbraw/zinc/45/44/17/448454417.db2.gz YYNAIGPYAQVCJD-DZGCQCFKSA-N 0 0 327.388 1.238 10 0 EDAERN CO[C@]1(C)C[C@@H](NC(=O)N2CCO[C@@H](c3nncn3C)C2)C1(C)C ZINC000583623566 448454611 /nfs/dbraw/zinc/45/46/11/448454611.db2.gz KSXFNOMCEIGNOC-XHBSWPGZSA-N 0 0 337.424 1.102 10 0 EDAERN CC(C)(C)OC(=O)N1[C@@H](c2ccc(C(N)=O)cc2)COS1(=O)=O ZINC000584644005 448588655 /nfs/dbraw/zinc/58/86/55/448588655.db2.gz PKNPJTPLNQCLKA-LLVKDONJSA-N 0 0 342.373 1.339 10 0 EDAERN Cc1cccc(NC(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)n1 ZINC000547694768 448915844 /nfs/dbraw/zinc/91/58/44/448915844.db2.gz ASVCZQPQIWFKSD-CYBMUJFWSA-N 0 0 337.387 2.151 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2cncc(C)c2)[C@@H]1c1cnn(C)c1 ZINC000618145044 450025759 /nfs/dbraw/zinc/02/57/59/450025759.db2.gz ZXRHEBNDJVVHPM-IRXDYDNUSA-N 0 0 343.431 1.315 10 0 EDAERN Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)C2)cc1Br ZINC000619004068 450373570 /nfs/dbraw/zinc/37/35/70/450373570.db2.gz QHGKKHOSTGUOAR-JTQLQIEISA-N 0 0 325.206 1.966 10 0 EDAERN CC(C)(C)OC(=O)COCCOCCONC(=O)OC(C)(C)C ZINC000616568204 450453105 /nfs/dbraw/zinc/45/31/05/450453105.db2.gz MEHVCDXVCGIAME-UHFFFAOYSA-N 0 0 335.397 1.818 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616654799 450457534 /nfs/dbraw/zinc/45/75/34/450457534.db2.gz QMMJCVSKMBMBLS-OAHLLOKOSA-N 0 0 349.431 1.856 10 0 EDAERN CCOC(=O)c1cccc([C@H]2CN(S(C)(=O)=O)CCCO2)c1 ZINC000616655059 450458120 /nfs/dbraw/zinc/45/81/20/450458120.db2.gz RFVIKQNFPNXOEG-CQSZACIVSA-N 0 0 327.402 1.586 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2ccc3nnccc3c2)Cc2ccccc21 ZINC000616668967 450458631 /nfs/dbraw/zinc/45/86/31/450458631.db2.gz ISPFSXXWKMLOQQ-OAHLLOKOSA-N 0 0 340.408 1.980 10 0 EDAERN Cc1nn(C)c2sc(C(=O)N[C@@H]3C[C@H](O)[C@H]3n3cccn3)cc12 ZINC000616769057 450479783 /nfs/dbraw/zinc/47/97/83/450479783.db2.gz XDZJJEXKXOUSBE-MDZLAQPJSA-N 0 0 331.401 1.244 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1c(F)cccc1Br ZINC000633923677 451102228 /nfs/dbraw/zinc/10/22/28/451102228.db2.gz LWGBTUCOXSRCCT-SNVBAGLBSA-N 0 0 345.212 1.991 10 0 EDAERN CCn1cc(O[C@@H]2CN(Cc3cccc4c3OCO4)C[C@H]2O)cn1 ZINC000628375215 451230759 /nfs/dbraw/zinc/23/07/59/451230759.db2.gz JPNDGKOFEBPHBQ-GDBMZVCRSA-N 0 0 331.372 1.256 10 0 EDAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(Br)cc1Cl ZINC000629225137 451603615 /nfs/dbraw/zinc/60/36/15/451603615.db2.gz IGPNAIWBOXBOJI-MNOVXSKESA-N 0 0 334.597 1.982 10 0 EDAERN Cn1cc(C(=O)N2CCC[C@@H](n3ccnn3)C2)c(C2CCOCC2)n1 ZINC000644501031 451816671 /nfs/dbraw/zinc/81/66/71/451816671.db2.gz FCPCTIDEYMDDNR-CQSZACIVSA-N 0 0 344.419 1.383 10 0 EDAERN CCc1noc(COC2CN(C(=O)C[C@@H](O)CC(C)(C)C)C2)n1 ZINC000644224485 453160410 /nfs/dbraw/zinc/16/04/10/453160410.db2.gz GQXQSQRCQFZBQE-LLVKDONJSA-N 0 0 325.409 1.547 10 0 EDAERN C[C@@H](NC(=O)Cc1cc[nH]n1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000084647478 486275708 /nfs/dbraw/zinc/27/57/08/486275708.db2.gz FIERVNYTJKBERD-GFCCVEGCSA-N 0 0 346.406 1.930 10 0 EDAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)C(F)(F)C2(O)CCCC2)C1 ZINC000583619171 486278146 /nfs/dbraw/zinc/27/81/46/486278146.db2.gz KEWPXBXKLDDLTI-MNOVXSKESA-N 0 0 344.362 1.044 10 0 EDAERN O[C@@]1(Cn2ccnn2)CCN(Cc2nc(-c3ccccc3F)no2)C1 ZINC000671553850 486650085 /nfs/dbraw/zinc/65/00/85/486650085.db2.gz FSPORYFKWQFCIZ-INIZCTEOSA-N 0 0 344.350 1.104 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000135197897 491227950 /nfs/dbraw/zinc/22/79/50/491227950.db2.gz LQIKLZVGTAJDQN-HNNXBMFYSA-N 0 0 333.436 1.282 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)CC2 ZINC000121204048 490998883 /nfs/dbraw/zinc/99/88/83/490998883.db2.gz XZJFKURSSOMNSL-CHWSQXEVSA-N 0 0 342.465 1.205 10 0 EDAERN CCC(=O)Nc1nnc(CCN2C(=O)c3ccccc3C2=O)s1 ZINC000170505091 517528846 /nfs/dbraw/zinc/52/88/46/517528846.db2.gz GWELYNXVXAIWLC-UHFFFAOYSA-N 0 0 330.369 1.725 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2cccc(N(C)C)n2)C[C@H]1N1CCOCC1 ZINC000153022999 534358215 /nfs/dbraw/zinc/35/82/15/534358215.db2.gz DTQPKDOMPIYADQ-ZIAGYGMSSA-N 0 0 333.436 1.332 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)CN(CCc2ccccc2)C(C)=O)C1 ZINC000090229695 534654685 /nfs/dbraw/zinc/65/46/85/534654685.db2.gz KIPDHJIEQCBGQI-SFHVURJKSA-N 0 0 345.443 1.205 10 0 EDAERN CC(C)=CC(=O)NCc1ccc(C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000190446650 527391975 /nfs/dbraw/zinc/39/19/75/527391975.db2.gz CHRXELSXUQOPSK-UHFFFAOYSA-N 0 0 329.400 1.230 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCCn3ncnc31)CC2 ZINC000176534831 528333695 /nfs/dbraw/zinc/33/36/95/528333695.db2.gz GVBZQWVQWSBUSW-NWDGAFQWSA-N 0 0 344.423 1.142 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1cccnc1-n1cccn1 ZINC000184306118 528482337 /nfs/dbraw/zinc/48/23/37/528482337.db2.gz VFHLSLDTNDNKLF-INIZCTEOSA-N 0 0 343.431 1.384 10 0 EDAERN CC(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168877403 528646973 /nfs/dbraw/zinc/64/69/73/528646973.db2.gz CCOYWQUQEFZVTC-JOYOIKCWSA-N 0 0 340.221 1.716 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000176568935 528703533 /nfs/dbraw/zinc/70/35/33/528703533.db2.gz AMSQCPOWMRKBES-QRUNILKSSA-N 0 0 341.481 1.586 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000175023548 528736999 /nfs/dbraw/zinc/73/69/99/528736999.db2.gz OZYPTAXFYQMTFK-UHFFFAOYSA-N 0 0 337.449 1.831 10 0 EDAERN CC[C@H]1NC(=O)C[C@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168916859 529330528 /nfs/dbraw/zinc/33/05/28/529330528.db2.gz CSZFMGZBRWSYME-JOYOIKCWSA-N 0 0 340.221 1.860 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCNC(=O)c1ccco1)CC2 ZINC000195254907 535027170 /nfs/dbraw/zinc/02/71/70/535027170.db2.gz OCSIVUMDWOBYQD-GFCCVEGCSA-N 0 0 345.403 1.246 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CSCCS1)CC2 ZINC000195259620 535029516 /nfs/dbraw/zinc/02/95/16/535029516.db2.gz GLCOWZFZMLMLCM-GHMZBOCLSA-N 0 0 326.491 1.681 10 0 EDAERN CCCCc1ccc(C(=O)CCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091781900 535082637 /nfs/dbraw/zinc/08/26/37/535082637.db2.gz LOKLWMZZFOIAMC-MRXNPFEDSA-N 0 0 346.427 1.705 10 0 EDAERN CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@H](C)N2CCOCC2)CCO1 ZINC000245537722 535128952 /nfs/dbraw/zinc/12/89/52/535128952.db2.gz YNPQHGSXKHGJOL-UAGQMJEPSA-N 0 0 341.496 1.990 10 0 EDAERN CCCC(=O)NCC(=O)N[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000194757690 535347727 /nfs/dbraw/zinc/34/77/27/535347727.db2.gz XVCQSMYNDOUSRC-OAHLLOKOSA-N 0 0 340.807 1.977 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000248439689 535390829 /nfs/dbraw/zinc/39/08/29/535390829.db2.gz IUYPUWMWWFDRNW-KGLIPLIRSA-N 0 0 326.418 1.812 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000249895645 535542610 /nfs/dbraw/zinc/54/26/10/535542610.db2.gz RPAXSFMBYHHDOV-ZFWWWQNUSA-N 0 0 338.452 1.564 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2cc(F)ccc2F)C[C@H]1C ZINC000247393766 535603205 /nfs/dbraw/zinc/60/32/05/535603205.db2.gz XKUUDJIRVWFNBS-CYBMUJFWSA-N 0 0 341.402 1.946 10 0 EDAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@H]2CCCn3nc(C)nc32)CC1=O ZINC000246438574 535636231 /nfs/dbraw/zinc/63/62/31/535636231.db2.gz HNIHDKLNRQEZMH-UBHSHLNASA-N 0 0 333.436 1.575 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CCN1CCOC ZINC000247212431 535839360 /nfs/dbraw/zinc/83/93/60/535839360.db2.gz USMNWWULWFTLEG-NVXWUHKLSA-N 0 0 346.427 1.337 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190675520 535878409 /nfs/dbraw/zinc/87/84/09/535878409.db2.gz SWDKFRCVCBDVQG-GFCCVEGCSA-N 0 0 331.416 1.487 10 0 EDAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000245824057 535955842 /nfs/dbraw/zinc/95/58/42/535955842.db2.gz NPGYSKQRHJJIPG-VHDGCEQUSA-N 0 0 344.419 1.537 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000249191361 535972765 /nfs/dbraw/zinc/97/27/65/535972765.db2.gz ABWSUKSNVLQSOX-ZBFHGGJFSA-N 0 0 338.473 1.590 10 0 EDAERN CN[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)c1cnn(C)c1 ZINC000262018073 536385301 /nfs/dbraw/zinc/38/53/01/536385301.db2.gz CPTDNAKDXBZMEX-QFYYESIMSA-N 0 0 327.388 1.053 10 0 EDAERN CN[C@H](C(=O)Nc1cccc(CN2CCOCC2)c1)c1cnn(C)c1 ZINC000262028844 536388357 /nfs/dbraw/zinc/38/83/57/536388357.db2.gz BISZKNJQHZMICR-KRWDZBQOSA-N 0 0 343.431 1.152 10 0 EDAERN COc1cc2c(c(O)c1C)C(=O)[C@]1(O)c3cccc(O)c3OC[C@H]1O2 ZINC000013378588 560215793 /nfs/dbraw/zinc/21/57/93/560215793.db2.gz ZVSXALWTWGTZSP-ACJLOTCBSA-N 0 0 344.319 1.639 10 0 biogenic,in-vitro EDAERN CCOC(=O)c1ncc(Br)c(N[C@@H]2CCO[C@H]2C)n1 ZINC000893042977 590633331 /nfs/dbraw/zinc/63/33/31/590633331.db2.gz YBBLAGWMEPRWQW-IONNQARKSA-N 0 0 330.182 1.427 10 0 EDAERN CC(C)N1C(=O)N[C@@H]2CN(C(=O)Nc3cnc4ccnn4c3)CC[C@@H]21 ZINC000888923715 590794873 /nfs/dbraw/zinc/79/48/73/590794873.db2.gz HHKKXRQHOQXIDD-OLZOCXBDSA-N 0 0 343.391 1.138 10 0 EDAERN CO[C@H]1CCCCN(CC(=O)N2CCOc3ncc(C)cc32)C1=O ZINC000888076072 590929670 /nfs/dbraw/zinc/92/96/70/590929670.db2.gz VBPQDFNECOHANO-AWEZNQCLSA-N 0 0 333.388 1.143 10 0 EDAERN COc1ccncc1CN1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000888076803 590933329 /nfs/dbraw/zinc/93/33/29/590933329.db2.gz FUISWYNXAQCYKD-SFHVURJKSA-N 0 0 344.415 1.920 10 0 EDAERN CC1(C)COc2c1cccc2C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079323 590936062 /nfs/dbraw/zinc/93/60/62/590936062.db2.gz WKXJZUNPEYWDBW-RRFJBIMHSA-N 0 0 327.384 1.657 10 0 EDAERN Cc1ccoc1CC(=O)N1CC(N2CCOC[C@@H]2c2nc(C)no2)C1 ZINC000888094121 591023600 /nfs/dbraw/zinc/02/36/00/591023600.db2.gz LJIBWHNHFDWSPT-CQSZACIVSA-N 0 0 346.387 1.106 10 0 EDAERN CC1(C)OC(=O)c2c1ccnc2N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095270 591026228 /nfs/dbraw/zinc/02/62/28/591026228.db2.gz OBPGRDBJYIMMEL-ZOWXZIJZSA-N 0 0 345.399 1.725 10 0 EDAERN Cc1ccccc1COCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095749 591026962 /nfs/dbraw/zinc/02/69/62/591026962.db2.gz XKDXLMBGCCRUGV-FCEWJHQRSA-N 0 0 346.427 1.454 10 0 EDAERN Cc1cc(C)n([C@H]2CCCN(C(=O)c3cccn4nnnc34)C2)n1 ZINC000896207659 591385083 /nfs/dbraw/zinc/38/50/83/591385083.db2.gz QPIFYUJZPSXJKX-ZDUSSCGKSA-N 0 0 325.376 1.415 10 0 EDAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899073830 591673082 /nfs/dbraw/zinc/67/30/82/591673082.db2.gz ATMRNVLUWKWXIQ-DOMZBBRYSA-N 0 0 345.447 1.624 10 0 EDAERN C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899078358 591675502 /nfs/dbraw/zinc/67/55/02/591675502.db2.gz NOHJJJUSPWAQDR-TZMCWYRMSA-N 0 0 327.388 1.791 10 0 EDAERN Cc1ccc2snc(C(=O)N3CC[C@](O)(c4cn[nH]n4)C3)c2c1 ZINC000816618988 593535683 /nfs/dbraw/zinc/53/56/83/593535683.db2.gz PFPHGMHQUUBPST-OAHLLOKOSA-N 0 0 329.385 1.457 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3cccnc3[nH]2)cn1 ZINC000818597076 593706564 /nfs/dbraw/zinc/70/65/64/593706564.db2.gz QSSVCCCFMLNIAY-LSDHHAIUSA-N 0 0 341.371 1.356 10 0 EDAERN C[C@@H](NC(=O)c1cccc(Cl)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000121422439 594852208 /nfs/dbraw/zinc/85/22/08/594852208.db2.gz FCUNBOAEYYCLRE-SECBINFHSA-N 0 0 339.804 1.873 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000105715236 595420154 /nfs/dbraw/zinc/42/01/54/595420154.db2.gz WLHCCCGDAVAICC-UHFFFAOYSA-N 0 0 347.396 1.114 10 0 EDAERN C[C@H](C(=O)NC(C)(C)C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820455 595467179 /nfs/dbraw/zinc/46/71/79/595467179.db2.gz YDGKMEGFNRGWJM-NVXWUHKLSA-N 0 0 333.476 1.641 10 0 EDAERN COC[C@@]1(C)NC(=O)N(CN2CCCC[C@@H]2c2nccs2)C1=O ZINC000113243725 595675291 /nfs/dbraw/zinc/67/52/91/595675291.db2.gz MZGMTPOGANKMRH-IAQYHMDHSA-N 0 0 338.433 1.585 10 0 EDAERN O=C(OCCOc1cccc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000118601514 596137384 /nfs/dbraw/zinc/13/73/84/596137384.db2.gz KLCHPAAIBLGTSP-VIFPVBQESA-N 0 0 328.162 1.507 10 0 EDAERN COc1ccnc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1 ZINC000864833126 596376248 /nfs/dbraw/zinc/37/62/48/596376248.db2.gz DKKFFCIAKCLLPO-LLVKDONJSA-N 0 0 343.387 1.282 10 0 EDAERN Cc1cnccc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000125855344 597163078 /nfs/dbraw/zinc/16/30/78/597163078.db2.gz FKRRQVLYIIGPAP-LLVKDONJSA-N 0 0 344.396 1.456 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCS(=O)CC2)C1 ZINC000126422041 597473583 /nfs/dbraw/zinc/47/35/83/597473583.db2.gz XDHUUXUDXYZOJF-GFCCVEGCSA-N 0 0 330.450 1.224 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cccnc2Br)C1 ZINC000126984637 597588431 /nfs/dbraw/zinc/58/84/31/597588431.db2.gz FZXZLQPNMFKNPL-SNVBAGLBSA-N 0 0 326.194 1.585 10 0 EDAERN C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1 ZINC000026622123 597635818 /nfs/dbraw/zinc/63/58/18/597635818.db2.gz HQENLTWUCCBYIT-OALRPVAKSA-N 0 0 347.802 1.628 10 0 EDAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175248835 697707060 /nfs/dbraw/zinc/70/70/60/697707060.db2.gz RJPHBLVQSBGGFH-NEPJUHHUSA-N 0 0 333.388 1.389 10 0 EDAERN CCOC(=O)[C@]1(C)CC(=O)N(CN2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000184875004 698522377 /nfs/dbraw/zinc/52/23/77/698522377.db2.gz YCOOBKHBHAIPHA-MAUKXSAKSA-N 0 0 348.447 1.588 10 0 EDAERN COC(=O)C1CCC(C(=O)NNC(=O)CCc2ccccc2)CC1 ZINC000180185568 698652339 /nfs/dbraw/zinc/65/23/39/698652339.db2.gz NPIYYCXKNQOPCW-UHFFFAOYSA-N 0 0 332.400 1.746 10 0 EDAERN O=C1C[C@H](c2ccccc2F)CN1CN1CC[C@H](N2CCOCC2)C1 ZINC000182692102 700978655 /nfs/dbraw/zinc/97/86/55/700978655.db2.gz KOBNJJYHTWHZGN-HOTGVXAUSA-N 0 0 347.434 1.506 10 0 EDAERN [NH3+][C@@H](CCCC(=O)[O-])c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000052094731 214116031 /nfs/dbraw/zinc/11/60/31/214116031.db2.gz VROKOZPBRURQCX-QMMMGPOBSA-N 0 0 328.166 1.873 10 0 EDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)CC3CCOCC3)C2)c1 ZINC000173139573 230882957 /nfs/dbraw/zinc/88/29/57/230882957.db2.gz XLBLCESTACGBAS-HNNXBMFYSA-N 0 0 327.450 1.585 10 0 EDAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173692480 231007758 /nfs/dbraw/zinc/00/77/58/231007758.db2.gz VJNYUIWMXSCOCM-MRXNPFEDSA-N 0 0 339.399 1.569 10 0 EDAERN CCS(=O)(=O)c1ccccc1NC(=O)Cc1csc(N)n1 ZINC000055271692 214299633 /nfs/dbraw/zinc/29/96/33/214299633.db2.gz DHVBEELNBYROEU-UHFFFAOYSA-N 0 0 325.415 1.700 10 0 EDAERN O=C(NCc1nc2ccccc2s1)N1CC[C@H](N2CCOCC2)C1 ZINC000173767199 231028111 /nfs/dbraw/zinc/02/81/11/231028111.db2.gz UMAIXRIPSLCPAX-ZDUSSCGKSA-N 0 0 346.456 1.912 10 0 EDAERN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173999406 231095952 /nfs/dbraw/zinc/09/59/52/231095952.db2.gz FXUFGXFDSQAHSY-CYBMUJFWSA-N 0 0 330.837 1.435 10 0 EDAERN C[C@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000173962887 231083146 /nfs/dbraw/zinc/08/31/46/231083146.db2.gz ZUAUFLKIKDOWBI-GUYCJALGSA-N 0 0 328.416 1.285 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172766375 529459850 /nfs/dbraw/zinc/45/98/50/529459850.db2.gz LWFLYYRPLMYBPD-PSLXWICFSA-N 0 0 336.457 1.361 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)[nH]1 ZINC000173688974 529700324 /nfs/dbraw/zinc/70/03/24/529700324.db2.gz UQRPXUKOZWVYTH-HNNXBMFYSA-N 0 0 330.388 1.712 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000187357030 530017177 /nfs/dbraw/zinc/01/71/77/530017177.db2.gz STJYVGVAUXCIIQ-GFCCVEGCSA-N 0 0 341.477 1.894 10 0 EDAERN CCS(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000009844648 201788238 /nfs/dbraw/zinc/78/82/38/201788238.db2.gz XMYFVLTYVWGCIQ-UHFFFAOYSA-N 0 0 341.820 1.503 10 0 EDAERN CC[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000245753002 539595441 /nfs/dbraw/zinc/59/54/41/539595441.db2.gz HHUIBWSGSKFTKD-JQWIXIFHSA-N 0 0 328.359 1.588 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCc2ccc(=O)[nH]c2)[C@H]1c1ccc(F)cc1 ZINC000135141219 282630977 /nfs/dbraw/zinc/63/09/77/282630977.db2.gz LCUOQNKMQUJLEN-RHSMWYFYSA-N 0 0 343.358 1.762 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](n2nnc(C[NH3+])c2C(=O)[O-])C1 ZINC000675054417 539710531 /nfs/dbraw/zinc/71/05/31/539710531.db2.gz UTYXLYKERYHHSX-SECBINFHSA-N 0 0 325.369 1.007 10 0 EDAERN C[C@@H](C(=O)N(C)CCC1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000154639992 539876382 /nfs/dbraw/zinc/87/63/82/539876382.db2.gz RRZKANFOGKHHSS-ZDUSSCGKSA-N 0 0 344.411 1.946 10 0 EDAERN C[C@H](C(=O)Nc1cnc(N(C)C)nc1)N1C(=O)c2ccccc2C1=O ZINC000585429717 539960859 /nfs/dbraw/zinc/96/08/59/539960859.db2.gz HTEMUVKQEYUKBD-SNVBAGLBSA-N 0 0 339.355 1.166 10 0 EDAERN O=C(NCCCOCCO)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000181659652 234272843 /nfs/dbraw/zinc/27/28/43/234272843.db2.gz WVPLMGRXYQVJHO-ZDUSSCGKSA-N 0 0 334.338 1.858 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000188879580 540161536 /nfs/dbraw/zinc/16/15/36/540161536.db2.gz JERZIAISCNDEFU-BRWVUGGUSA-N 0 0 346.427 1.347 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000050639062 138132004 /nfs/dbraw/zinc/13/20/04/138132004.db2.gz IYZXQICYDGKBBU-SNVBAGLBSA-N 0 0 333.319 1.292 10 0 EDAERN C=C1C(NCCN2CCOCC2)=NS(=O)(=O)C1c1ccccc1 ZINC000020901125 202057291 /nfs/dbraw/zinc/05/72/91/202057291.db2.gz WFBKGHPESRVZBN-UHFFFAOYSA-N 0 0 335.429 1.081 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCc2c(F)cccc2F)C1 ZINC000079449686 138261494 /nfs/dbraw/zinc/26/14/94/138261494.db2.gz SVRBQNKFZCXNNV-GFCCVEGCSA-N 0 0 325.359 1.817 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CSCC(F)(F)F ZINC000090441284 138278396 /nfs/dbraw/zinc/27/83/96/138278396.db2.gz UAIKXJMVCVKFBS-MRVPVSSYSA-N 0 0 338.355 1.671 10 0 EDAERN COCc1cc(NC(=O)N2CCC(c3ccnn3C)CC2)ncn1 ZINC000093313249 138293152 /nfs/dbraw/zinc/29/31/52/138293152.db2.gz OSMDHZBWLLQMMA-UHFFFAOYSA-N 0 0 330.392 1.768 10 0 EDAERN O=C(CCS(=O)(=O)C1CCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119861375 138314813 /nfs/dbraw/zinc/31/48/13/138314813.db2.gz VERHAWWYOHBLSL-WMLDXEAASA-N 0 0 343.489 1.888 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCNc1ccccc1)CC2 ZINC000114977619 138311101 /nfs/dbraw/zinc/31/11/01/138311101.db2.gz ZXMPYIUCKMUAGA-HNNXBMFYSA-N 0 0 342.447 1.957 10 0 EDAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000125333267 138333239 /nfs/dbraw/zinc/33/32/39/138333239.db2.gz HSWUEODCMDTSDC-UHFFFAOYSA-N 0 0 325.372 1.459 10 0 EDAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125817822 138336405 /nfs/dbraw/zinc/33/64/05/138336405.db2.gz SDBDJOLZZJSKMW-NSHDSACASA-N 0 0 332.429 1.996 10 0 EDAERN C[C@H](O)CCN(C)C(=O)C1CCC(C(=O)N(C)CC[C@H](C)O)CC1 ZINC000125954183 138337010 /nfs/dbraw/zinc/33/70/10/138337010.db2.gz JGOWJJUETGEFFZ-FXQLRMTLSA-N 0 0 342.480 1.251 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(-n3ncc4c3nc[nH]c4=O)cc2)O1 ZINC000130832231 138348114 /nfs/dbraw/zinc/34/81/14/138348114.db2.gz CDVJGGAFGVQALH-HZMBPMFUSA-N 0 0 339.355 1.615 10 0 EDAERN C[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)N1CCOCC1 ZINC000029956547 202192769 /nfs/dbraw/zinc/19/27/69/202192769.db2.gz YJNQATYMEBVULX-YJBOKZPZSA-N 0 0 348.443 1.695 10 0 EDAERN C[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)c1nnc2n1CCCC2 ZINC000132178951 138372900 /nfs/dbraw/zinc/37/29/00/138372900.db2.gz OLUDWKLPWCNDFY-MRVPVSSYSA-N 0 0 340.309 1.914 10 0 EDAERN Cc1c(C(=O)NCc2ccncc2)sc2nc(C)n(C)c(=O)c12 ZINC000031868377 202212203 /nfs/dbraw/zinc/21/22/03/202212203.db2.gz DKXIXFAHHDYYGW-UHFFFAOYSA-N 0 0 328.397 1.937 10 0 EDAERN O=C(Nc1cccnc1)C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000134592521 138411070 /nfs/dbraw/zinc/41/10/70/138411070.db2.gz UNAOVICGPHFRCD-WFASDCNBSA-N 0 0 347.321 1.633 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)c1nnc2n1CCCC2 ZINC000135312740 138422467 /nfs/dbraw/zinc/42/24/67/138422467.db2.gz IESXVEFFKVKQLD-MRVPVSSYSA-N 0 0 349.313 1.080 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1cccs1)CC2 ZINC000136816074 138434417 /nfs/dbraw/zinc/43/44/17/138434417.db2.gz UBOWHUVUSSBDLO-NSHDSACASA-N 0 0 347.444 1.324 10 0 EDAERN C[C@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)CC1(C)OCCO1 ZINC000152982385 138486502 /nfs/dbraw/zinc/48/65/02/138486502.db2.gz VSMACMUSMDKUDS-KBPBESRZSA-N 0 0 336.436 1.708 10 0 EDAERN Cc1ccc(O[C@H](C)CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187325850 236178944 /nfs/dbraw/zinc/17/89/44/236178944.db2.gz KCRUWHZGLCUPGP-CYBMUJFWSA-N 0 0 331.416 1.682 10 0 EDAERN O=C(NC1CN(C[C@H](O)COc2cccc3ccccc32)C1)C1CC1 ZINC000187977472 236366985 /nfs/dbraw/zinc/36/69/85/236366985.db2.gz HXNHFLVRXNPCEM-KRWDZBQOSA-N 0 0 340.423 1.790 10 0 EDAERN Cn1c(=O)cc(NC(=O)/C=C\c2c(F)cccc2Cl)n(C)c1=O ZINC000033317319 202257117 /nfs/dbraw/zinc/25/71/17/202257117.db2.gz UHUPIXZHJLCRAD-SREVYHEPSA-N 0 0 337.738 1.528 10 0 EDAERN O=C(NCCN1CCN(C(=O)c2ccccc2)CC1)c1ccncc1 ZINC000033351026 202259703 /nfs/dbraw/zinc/25/97/03/202259703.db2.gz BTNYELTWNLZEJB-UHFFFAOYSA-N 0 0 338.411 1.269 10 0 EDAERN C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)COCc1ccccc1 ZINC000171869213 138661704 /nfs/dbraw/zinc/66/17/04/138661704.db2.gz PCSVQIAWGPTREN-ZBFHGGJFSA-N 0 0 343.431 1.745 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)c1cccc(OCC(N)=O)c1 ZINC000172953004 138668194 /nfs/dbraw/zinc/66/81/94/138668194.db2.gz ZICYIJDFWDUETB-CQSZACIVSA-N 0 0 342.395 1.886 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)CN1CCCC1=O)CC2 ZINC000172557528 138665665 /nfs/dbraw/zinc/66/56/65/138665665.db2.gz YCEJDQYQBRITHD-STQMWFEESA-N 0 0 348.451 1.026 10 0 EDAERN CCCN(CCC)C(=O)CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172764660 138667320 /nfs/dbraw/zinc/66/73/20/138667320.db2.gz WEUJUZPYKDNKCW-MRXNPFEDSA-N 0 0 339.480 1.348 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000177135130 138723603 /nfs/dbraw/zinc/72/36/03/138723603.db2.gz NVJRXPOAEYZKGO-LLVKDONJSA-N 0 0 329.356 1.518 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000177137105 138723859 /nfs/dbraw/zinc/72/38/59/138723859.db2.gz CNIRAWCWCBJYEQ-CQSZACIVSA-N 0 0 330.384 1.525 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NC[C@@]1(CCO)CCOC1 ZINC000177635936 138732094 /nfs/dbraw/zinc/73/20/94/138732094.db2.gz MQQPXKYEIAKZCN-MAUKXSAKSA-N 0 0 336.432 1.680 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1)CC2 ZINC000177639904 138732127 /nfs/dbraw/zinc/73/21/27/138732127.db2.gz FRBAYJGMDANTQB-LBPRGKRZSA-N 0 0 331.351 1.049 10 0 EDAERN Cc1ccc(NC(=O)C[S@@](=O)Cc2nnnn2C(C)C)cc1C ZINC000176572853 237343333 /nfs/dbraw/zinc/34/33/33/237343333.db2.gz FBYGSPGDHPZLDF-QHCPKHFHSA-N 0 0 335.433 1.758 10 0 EDAERN CC[C@@H](CC1CC1)NS(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000070108462 202306464 /nfs/dbraw/zinc/30/64/64/202306464.db2.gz DORVATJIVLMSBW-NSHDSACASA-N 0 0 332.447 1.191 10 0 EDAERN CC[C@@H]1COCCN1S(=O)(=O)CCSc1ccc(N)cc1 ZINC000070214426 202318879 /nfs/dbraw/zinc/31/88/79/202318879.db2.gz QXOBDSIOTHZDEC-CYBMUJFWSA-N 0 0 330.475 1.802 10 0 EDAERN COC(=O)Cc1nc2ccc(N)cn2c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000036277682 202319863 /nfs/dbraw/zinc/31/98/63/202319863.db2.gz AADOHMOEXSNSSK-TXEJJXNPSA-N 0 0 332.404 1.241 10 0 EDAERN C[C@@H](NS(=O)(=O)CCSc1cccc(N)c1)[C@@H]1CCCO1 ZINC000070216277 202320696 /nfs/dbraw/zinc/32/06/96/202320696.db2.gz VUAZHESBDLMQJT-RISCZKNCSA-N 0 0 330.475 1.848 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N(C)CC(=O)N(C)C ZINC000036860461 202333232 /nfs/dbraw/zinc/33/32/32/202333232.db2.gz IAGWKXRYMSCLKT-UHFFFAOYSA-N 0 0 330.226 1.821 10 0 EDAERN Cc1nc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)c[nH]1 ZINC000070421224 202334812 /nfs/dbraw/zinc/33/48/12/202334812.db2.gz SAXBFCCURWSHRK-UHFFFAOYSA-N 0 0 326.447 1.286 10 0 EDAERN CC(C)C[C@@H](NS(=O)(=O)c1cnccc1Cl)C(=O)N(C)C ZINC000071203966 202340330 /nfs/dbraw/zinc/34/03/30/202340330.db2.gz VOFHQYAXRCPDSC-LLVKDONJSA-N 0 0 333.841 1.516 10 0 EDAERN COC1CCN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)CC1 ZINC000071246270 202342767 /nfs/dbraw/zinc/34/27/67/202342767.db2.gz QRMKFALZJZQHNE-UHFFFAOYSA-N 0 0 332.422 1.259 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)CCCO1 ZINC000071248212 202343176 /nfs/dbraw/zinc/34/31/76/202343176.db2.gz CHOYOHNABOMKMI-VIFPVBQESA-N 0 0 332.422 1.259 10 0 EDAERN O=S1(=O)C[C@H](O)[C@@H](Nc2ccc(Br)cc2Cl)C1 ZINC000037692777 202353827 /nfs/dbraw/zinc/35/38/27/202353827.db2.gz OIROPXKAKHNLQL-UWVGGRQHSA-N 0 0 340.626 1.672 10 0 EDAERN Cc1ccc(Br)cc1S(=O)(=O)NCc1nc[nH]n1 ZINC000037921341 202378222 /nfs/dbraw/zinc/37/82/22/202378222.db2.gz LHJIWTVEIGZAKS-UHFFFAOYSA-N 0 0 331.195 1.354 10 0 EDAERN C[C@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1N ZINC000037929607 202379092 /nfs/dbraw/zinc/37/90/92/202379092.db2.gz CDLCALSDDOLKAP-QMMMGPOBSA-N 0 0 335.223 1.441 10 0 EDAERN CC[C@@H](C)[C@H](NS(=O)(=O)c1cnc(Cl)s1)C(=O)OC ZINC000038108624 202395080 /nfs/dbraw/zinc/39/50/80/202395080.db2.gz KSVSITXHPBMEAH-SVRRBLITSA-N 0 0 326.827 1.663 10 0 EDAERN CCCNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C)C2)cc1 ZINC000041229503 202478189 /nfs/dbraw/zinc/47/81/89/202478189.db2.gz HIBUBFDLDIXVGQ-GFCCVEGCSA-N 0 0 326.418 1.236 10 0 EDAERN COc1ccc([C@@H](C(=O)NCCS(C)(=O)=O)C(C)C)cc1OC ZINC000041340071 202479836 /nfs/dbraw/zinc/47/98/36/202479836.db2.gz GVUFKANLABULQV-HNNXBMFYSA-N 0 0 343.445 1.604 10 0 EDAERN COc1cc(C)c(C)cc1S(=O)(=O)NCCC1OCCCO1 ZINC000041427101 202481876 /nfs/dbraw/zinc/48/18/76/202481876.db2.gz QPLWHIXJOXELHC-UHFFFAOYSA-N 0 0 329.418 1.743 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2occ(C)c2c1 ZINC000185118758 138801328 /nfs/dbraw/zinc/80/13/28/138801328.db2.gz BZXVMWDLUDJXHQ-CYBMUJFWSA-N 0 0 329.356 1.417 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCCc2nc(C)no2)C12CCOCC2 ZINC000185651453 138807467 /nfs/dbraw/zinc/80/74/67/138807467.db2.gz GXEKUXPXIVQAQK-STQMWFEESA-N 0 0 338.408 1.194 10 0 EDAERN COCCC(C)(C)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000185813721 138809195 /nfs/dbraw/zinc/80/91/95/138809195.db2.gz CIYOIKUCVIUGAB-LBPRGKRZSA-N 0 0 339.440 1.621 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC)CC2 ZINC000114865497 201071601 /nfs/dbraw/zinc/07/16/01/201071601.db2.gz LWRIUVDCQPJHFK-RYUDHWBXSA-N 0 0 337.424 1.042 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(C(=O)OC)c1)CC2 ZINC000114865526 201072310 /nfs/dbraw/zinc/07/23/10/201072310.db2.gz KNEQAWHCBGAIOB-CYBMUJFWSA-N 0 0 328.372 1.372 10 0 EDAERN COC(=O)c1ccc(CCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112657020 201067405 /nfs/dbraw/zinc/06/74/05/201067405.db2.gz WKRCLCCWZJXJMP-CQSZACIVSA-N 0 0 328.372 1.129 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c(Cl)c1 ZINC000113298983 201068526 /nfs/dbraw/zinc/06/85/26/201068526.db2.gz GSZMRFKUYLNRAX-SNVBAGLBSA-N 0 0 326.809 1.533 10 0 EDAERN O=C(NCCN1CCCS1(=O)=O)N1CCC[C@H]1c1ccco1 ZINC000116425986 201074999 /nfs/dbraw/zinc/07/49/99/201074999.db2.gz SICMFMLQGXLWFY-LBPRGKRZSA-N 0 0 327.406 1.162 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116588034 201075049 /nfs/dbraw/zinc/07/50/49/201075049.db2.gz CPLBLSWPTGNRCY-CYBMUJFWSA-N 0 0 342.399 1.692 10 0 EDAERN COc1cc(F)ccc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119467466 201080114 /nfs/dbraw/zinc/08/01/14/201080114.db2.gz HINMXVOEIVMERA-UHFFFAOYSA-N 0 0 346.362 1.902 10 0 EDAERN CC(=O)NCCNC(=O)N[C@H](C)c1ccccc1Br ZINC000049265093 201112762 /nfs/dbraw/zinc/11/27/62/201112762.db2.gz YSKAUVLJUXCMDH-SECBINFHSA-N 0 0 328.210 1.945 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3cnco3)c2)C[C@@H](C)O1 ZINC000052693779 201128280 /nfs/dbraw/zinc/12/82/80/201128280.db2.gz RSUNWUTVTYZHIE-VXGBXAGGSA-N 0 0 329.356 1.916 10 0 EDAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000187475630 138827173 /nfs/dbraw/zinc/82/71/73/138827173.db2.gz FCPSDZWHRKFHLR-UWVGGRQHSA-N 0 0 335.330 1.376 10 0 EDAERN O=C(NOCC(F)(F)F)c1cn2cc(Br)cnc2n1 ZINC000042750500 202500994 /nfs/dbraw/zinc/50/09/94/202500994.db2.gz QEIKTTHDSQMAES-UHFFFAOYSA-N 0 0 339.071 1.716 10 0 EDAERN O=S1(=O)CC[C@H](c2noc([C@H]3NCCc4sccc43)n2)C1 ZINC000149804978 201390155 /nfs/dbraw/zinc/39/01/55/201390155.db2.gz LQGQPJYITKGTBD-KWQFWETISA-N 0 0 325.415 1.268 10 0 EDAERN Cc1ccc(-n2nnnc2N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 ZINC000299740693 202544605 /nfs/dbraw/zinc/54/46/05/202544605.db2.gz BDGDFSCSJKPYPR-GHMZBOCLSA-N 0 0 340.309 1.071 10 0 EDAERN O=C(CCc1nc(-c2ccco2)no1)N1CC(NC(=O)C2CCC2)C1 ZINC000188568961 138845086 /nfs/dbraw/zinc/84/50/86/138845086.db2.gz XHGVDQFUDCXOKA-UHFFFAOYSA-N 0 0 344.371 1.389 10 0 EDAERN CC[NH+](CC)CC(=O)Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1C ZINC000049756894 202628190 /nfs/dbraw/zinc/62/81/90/202628190.db2.gz FHMYJLFCAKYWRN-CMDGGOBGSA-N 0 0 333.388 1.855 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)C(N)=O ZINC000053394562 202657786 /nfs/dbraw/zinc/65/77/86/202657786.db2.gz DZIPIJKWLMSXSR-BXKDBHETSA-N 0 0 325.796 1.084 10 0 EDAERN COC(=O)C[C@H](C)S(=O)(=O)Cc1ccc(C(N)=O)cc1Cl ZINC000163125577 201417010 /nfs/dbraw/zinc/41/70/10/201417010.db2.gz FYTNDBIPMMOMKI-QMMMGPOBSA-N 0 0 333.793 1.305 10 0 EDAERN COC(=O)[C@@H]1COCCN1C(=O)c1cccc(N)c1Br ZINC000163396631 201418052 /nfs/dbraw/zinc/41/80/52/201418052.db2.gz UYVJINISKCZKAD-JTQLQIEISA-N 0 0 343.177 1.045 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(N)cc1Br)[C@@H]1CCOC1 ZINC000165930890 201422304 /nfs/dbraw/zinc/42/23/04/201422304.db2.gz WBCZFYFLLFBKTR-RKDXNWHRSA-N 0 0 349.250 1.735 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000059354100 202777135 /nfs/dbraw/zinc/77/71/35/202777135.db2.gz ANFBKCPTQITWOH-CQSZACIVSA-N 0 0 343.424 1.796 10 0 EDAERN CCC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C ZINC000000428935 201472909 /nfs/dbraw/zinc/47/29/09/201472909.db2.gz UBAMLQXAEFZDMP-GFCCVEGCSA-N 0 0 338.429 1.395 10 0 EDAERN COC(=O)CSc1nnc(N2C(=O)c3ccccc3C2=O)s1 ZINC000059854272 202779646 /nfs/dbraw/zinc/77/96/46/202779646.db2.gz FNYWAPDEIVCHKT-UHFFFAOYSA-N 0 0 335.366 1.604 10 0 EDAERN O=C(c1ccccc1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000227119546 242121912 /nfs/dbraw/zinc/12/19/12/242121912.db2.gz CAEIZZYOKMLQHD-DLBZAZTESA-N 0 0 345.420 1.487 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(F)ccc1F ZINC000155755967 283988150 /nfs/dbraw/zinc/98/81/50/283988150.db2.gz YCRKALHFHKBJQE-LBPRGKRZSA-N 0 0 326.299 1.457 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103743196 283992133 /nfs/dbraw/zinc/99/21/33/283992133.db2.gz VUKWHWHSVHBNKM-ZDUSSCGKSA-N 0 0 349.778 1.483 10 0 EDAERN O=C([O-])[C@H]1CC[N@H+](CC(=O)Nc2cccc(Br)c2)C1 ZINC000062134400 202793931 /nfs/dbraw/zinc/79/39/31/202793931.db2.gz YDPXPJOESWBLKV-VIFPVBQESA-N 0 0 327.178 1.794 10 0 EDAERN CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021033130 212201933 /nfs/dbraw/zinc/20/19/33/212201933.db2.gz UQJGUDBGOLWZAM-UHFFFAOYSA-N 0 0 332.447 1.090 10 0 EDAERN COc1ccc2[nH]c(=O)c(CCC(=O)N3CCOC[C@@H]3C)cc2c1 ZINC000062509627 202798743 /nfs/dbraw/zinc/79/87/43/202798743.db2.gz WIPBWNPCQMCXNB-LBPRGKRZSA-N 0 0 330.384 1.717 10 0 EDAERN CC(=O)N1CCN(C(=O)c2c(-c3ccccc3)cc[nH]c2=O)CC1 ZINC000062620285 202799760 /nfs/dbraw/zinc/79/97/60/202799760.db2.gz RDSNDAYXFLIHCR-UHFFFAOYSA-N 0 0 325.368 1.346 10 0 EDAERN Cc1cc(C)n(CC(=O)N2CCOCC2)c1-c1nc(C2CC2)no1 ZINC000065186044 202828043 /nfs/dbraw/zinc/82/80/43/202828043.db2.gz ZIMLKHKNGCRQHN-UHFFFAOYSA-N 0 0 330.388 1.891 10 0 EDAERN Cc1ccn(C[C@H](C)NC(=O)c2nc(C3CC3)nc3c2OCCO3)n1 ZINC000065293218 202834172 /nfs/dbraw/zinc/83/41/72/202834172.db2.gz MNABBVXWUCBIGI-NSHDSACASA-N 0 0 343.387 1.449 10 0 EDAERN CS(=O)(=O)C[C@H](O)c1cc2c(cc1Br)OCCO2 ZINC000070131481 203072280 /nfs/dbraw/zinc/07/22/80/203072280.db2.gz ZFYJRVAYMMZCIL-VIFPVBQESA-N 0 0 337.191 1.298 10 0 EDAERN CCOC[C@@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000070925010 203084447 /nfs/dbraw/zinc/08/44/47/203084447.db2.gz ACHNDBMLDXPTCV-UONOGXRCSA-N 0 0 344.411 1.946 10 0 EDAERN COC(=O)[C@H](C)S(=O)(=O)NCc1cc(Br)cs1 ZINC000071322506 203092758 /nfs/dbraw/zinc/09/27/58/203092758.db2.gz VGHZVDPBFDCYAQ-LURJTMIESA-N 0 0 342.236 1.492 10 0 EDAERN COCCOCCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl ZINC000070481313 203078867 /nfs/dbraw/zinc/07/88/67/203078867.db2.gz PPGSOQAVMJLORZ-UHFFFAOYSA-N 0 0 344.216 1.683 10 0 EDAERN O=C1C[C@H]2[C@@H](/C=C\[C@H](O)COc3cccc(Cl)c3)[C@@H](O)C[C@@H]2O1 ZINC000255974511 244053553 /nfs/dbraw/zinc/05/35/53/244053553.db2.gz GNPPCWNVUFFTIJ-OEQMWBNBSA-N 0 0 338.787 1.948 10 0 EDAERN Cc1nc2ccccn2c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000071458199 203096406 /nfs/dbraw/zinc/09/64/06/203096406.db2.gz BOSUPDKMHFJEMM-UHFFFAOYSA-N 0 0 330.369 1.542 10 0 EDAERN CS(=O)(=O)CCCC(=O)NC1=NN=C(c2ccccc2)CS1 ZINC000071530123 203099708 /nfs/dbraw/zinc/09/97/08/203099708.db2.gz UXKDPHIPQVMLTK-UHFFFAOYSA-N 0 0 339.442 1.435 10 0 EDAERN COCCN(C[C@H](C)C(=O)OC)C(=O)c1cccc(NC(C)=O)c1 ZINC000071638969 203100659 /nfs/dbraw/zinc/10/06/59/203100659.db2.gz AVHCFZYAAVLAKR-LBPRGKRZSA-N 0 0 336.388 1.543 10 0 EDAERN COC(=O)[C@H](C)CN(CCO)C(=O)c1ccc(Br)cc1 ZINC000071609278 203100895 /nfs/dbraw/zinc/10/08/95/203100895.db2.gz ICGPYZGYFTUWIB-SNVBAGLBSA-N 0 0 344.205 1.693 10 0 EDAERN CCc1ccc([C@]2(Cc3ccc4c(c3)OCO4)NC(N)=NC2=O)cc1 ZINC000071974326 203154819 /nfs/dbraw/zinc/15/48/19/203154819.db2.gz JNAHEJCQVNVIBQ-IBGZPJMESA-N 0 0 337.379 1.860 10 0 EDAERN Cn1nnc2c1CCN([C@@H](C(=O)N1CCCCC1)c1ccccc1)C2 ZINC000072308839 203200218 /nfs/dbraw/zinc/20/02/18/203200218.db2.gz UTWWBXSASBTSHO-GOSISDBHSA-N 0 0 339.443 1.927 10 0 EDAERN COc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(C)c3nc2C)cc1 ZINC000072451968 203227089 /nfs/dbraw/zinc/22/70/89/203227089.db2.gz LLSGHBWJHJGYAS-UHFFFAOYSA-N 0 0 340.339 1.191 10 0 EDAERN Cc1nc2n(n1)CC(C(=O)N1CCN(c3ccccc3)CC1)=C(C)N2 ZINC000072466249 203229673 /nfs/dbraw/zinc/22/96/73/203229673.db2.gz JNFRJGZQWNXUCD-UHFFFAOYSA-N 0 0 338.415 1.635 10 0 EDAERN CC(C)(CCO)CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000073557464 203269657 /nfs/dbraw/zinc/26/96/57/203269657.db2.gz GSIFYQUCGOSQBK-CYBMUJFWSA-N 0 0 340.445 1.613 10 0 EDAERN O=C(Cc1ccc[nH]1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000075031837 203299734 /nfs/dbraw/zinc/29/97/34/203299734.db2.gz XXEWGIDMKXFFOT-UHFFFAOYSA-N 0 0 347.440 1.231 10 0 EDAERN Cc1nnc(-c2cccc(NC(=O)C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)o1 ZINC000076241809 203341964 /nfs/dbraw/zinc/34/19/64/203341964.db2.gz XLKQOZINMFMVFR-QWRGUYRKSA-N 0 0 344.371 1.619 10 0 EDAERN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cnn2ccncc12 ZINC000193258514 138964847 /nfs/dbraw/zinc/96/48/47/138964847.db2.gz RCYATEYACLAXES-FZMZJTMJSA-N 0 0 347.444 1.405 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1c(F)cccc1F ZINC000083754995 203520247 /nfs/dbraw/zinc/52/02/47/203520247.db2.gz OYUNOFOBOKOQQM-LLVKDONJSA-N 0 0 335.314 1.455 10 0 EDAERN Nc1cc(C(=O)NCCc2ncc[nH]2)c(Br)cc1F ZINC000138407140 203708914 /nfs/dbraw/zinc/70/89/14/203708914.db2.gz VBADAQMRAZNHJU-UHFFFAOYSA-N 0 0 327.157 1.866 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2cc(Cl)ncn2)C1 ZINC000095083150 203711849 /nfs/dbraw/zinc/71/18/49/203711849.db2.gz GFFNLZIUYPJJSS-VIFPVBQESA-N 0 0 347.824 1.913 10 0 EDAERN O=C(N[C@H]1CCc2cc(F)ccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173791381 284230884 /nfs/dbraw/zinc/23/08/84/284230884.db2.gz IEJABWQHQLYHSV-RDJZCZTQSA-N 0 0 333.407 1.929 10 0 EDAERN CCOC(=O)C(O)=CC(=O)c1ccccc1I ZINC000100025951 203988708 /nfs/dbraw/zinc/98/87/08/203988708.db2.gz PTAOJGIHJXXDKS-UHFFFAOYSA-N 0 0 346.120 1.996 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000102102590 204032299 /nfs/dbraw/zinc/03/22/99/204032299.db2.gz ZKZQOWDNWXVLBM-OAHLLOKOSA-N 0 0 331.416 1.841 10 0 EDAERN COC[C@@H](C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 ZINC000103433476 204078350 /nfs/dbraw/zinc/07/83/50/204078350.db2.gz DKZKDSSPEGYOHB-CQSZACIVSA-N 0 0 348.443 1.627 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)C(C)C ZINC000151747017 204060419 /nfs/dbraw/zinc/06/04/19/204060419.db2.gz ZBHAMTLHYVQJRN-UXLLHSPISA-N 0 0 340.464 1.580 10 0 EDAERN CN(C)C(=O)CCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000042135383 204063177 /nfs/dbraw/zinc/06/31/77/204063177.db2.gz MWERFVVRMCIVRY-UHFFFAOYSA-N 0 0 343.152 1.596 10 0 EDAERN COCCN([C@H](C)COC)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000042601825 204113289 /nfs/dbraw/zinc/11/32/89/204113289.db2.gz WVBBOFJNZDVLKZ-SNVBAGLBSA-N 0 0 336.841 1.594 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCOCCc2ccccc2)C1 ZINC000104785506 204119057 /nfs/dbraw/zinc/11/90/57/204119057.db2.gz PZURIAAZKPRBSN-QGZVFWFLSA-N 0 0 335.448 1.266 10 0 EDAERN C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104798891 204121902 /nfs/dbraw/zinc/12/19/02/204121902.db2.gz OVQCSDGABNIBJS-DGCLKSJQSA-N 0 0 327.375 1.998 10 0 EDAERN COC[C@@H](O)CN(C)C(=O)/C=C/c1ccc(Br)cc1 ZINC000042501252 204101272 /nfs/dbraw/zinc/10/12/72/204101272.db2.gz ZKZUCHGIZPSJNZ-LJLILKBBSA-N 0 0 328.206 1.928 10 0 EDAERN COc1ccccc1-n1ncc(C(=O)N2CCCNC(=O)[C@@H]2C)c1C ZINC000194837665 139001053 /nfs/dbraw/zinc/00/10/53/139001053.db2.gz JMWSIVPRYSWMQW-ZDUSSCGKSA-N 0 0 342.399 1.540 10 0 EDAERN CN(Cc1cscn1)S(=O)(=O)Cc1ccccc1C(N)=S ZINC000042869034 204155133 /nfs/dbraw/zinc/15/51/33/204155133.db2.gz GMZISXAXCDOWIG-UHFFFAOYSA-N 0 0 341.483 1.739 10 0 EDAERN C[C@H]1CCCC[C@H]1NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798289 204161136 /nfs/dbraw/zinc/16/11/36/204161136.db2.gz FUYDYORZCMRSAW-JKSUJKDBSA-N 0 0 331.464 1.684 10 0 EDAERN COCCN1CCN(CC(=O)NCc2ccccc2COC)C[C@@H]1C ZINC000105833883 204169466 /nfs/dbraw/zinc/16/94/66/204169466.db2.gz XNKWKPIURBJBAZ-INIZCTEOSA-N 0 0 349.475 1.102 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CSc3nnnn3C3CC3)C2)c1 ZINC000105858973 204170703 /nfs/dbraw/zinc/17/07/03/204170703.db2.gz RBIRBOZNXUQRNM-ZDUSSCGKSA-N 0 0 347.448 1.469 10 0 EDAERN Cc1cccc(C)c1OC[C@H](O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105889719 204176487 /nfs/dbraw/zinc/17/64/87/204176487.db2.gz DONIFHFRWGXSDM-MSOLQXFVSA-N 0 0 345.443 1.641 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 ZINC000106396719 204192435 /nfs/dbraw/zinc/19/24/35/204192435.db2.gz LFTIUNGIPLDOCT-CQSZACIVSA-N 0 0 330.388 1.265 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCN(C[C@H](O)CC)CC2)cc1 ZINC000106393323 204193163 /nfs/dbraw/zinc/19/31/63/204193163.db2.gz ONSRSXICMUZANJ-QGZVFWFLSA-N 0 0 345.443 1.018 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@@H](NC(=O)OC)C(C)C)CC1 ZINC000108278675 204257662 /nfs/dbraw/zinc/25/76/62/204257662.db2.gz FPZDQGSTFYVJHM-ZDUSSCGKSA-N 0 0 337.424 1.385 10 0 EDAERN CCCCO[C@@H](C)C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000109653136 204288511 /nfs/dbraw/zinc/28/85/11/204288511.db2.gz MDFDITPWJDQQOY-AWEZNQCLSA-N 0 0 336.436 1.729 10 0 EDAERN CCS(=O)(=O)NCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109095584 204278278 /nfs/dbraw/zinc/27/82/78/204278278.db2.gz BWEBVBSUOLAMAU-NEPJUHHUSA-N 0 0 346.399 1.514 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CCO[C@@H](c2nccs2)C1 ZINC000110873347 204324326 /nfs/dbraw/zinc/32/43/26/204324326.db2.gz XFOXQGUDTWGIAP-CYBMUJFWSA-N 0 0 345.428 1.747 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110882401 204326260 /nfs/dbraw/zinc/32/62/60/204326260.db2.gz WTRFJIUDFWVLRY-LLVKDONJSA-N 0 0 339.442 1.665 10 0 EDAERN O=Cc1ccccc1OCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110878268 204326363 /nfs/dbraw/zinc/32/63/63/204326363.db2.gz ZLGPHSVAWOSCKF-AWEZNQCLSA-N 0 0 332.381 1.935 10 0 EDAERN CCOc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1OC ZINC000111087341 204335655 /nfs/dbraw/zinc/33/56/55/204335655.db2.gz RNDXQSUIDXTGCA-OAHLLOKOSA-N 0 0 345.399 1.832 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 ZINC000111344921 204352976 /nfs/dbraw/zinc/35/29/76/204352976.db2.gz DOITXBABOCZEQO-CYBMUJFWSA-N 0 0 341.458 1.651 10 0 EDAERN CC[C@H](C)[C@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000049095040 204366062 /nfs/dbraw/zinc/36/60/62/204366062.db2.gz PVAUKBDLIQLHBK-UWVGGRQHSA-N 0 0 337.438 1.942 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2cccnc2)C1 ZINC000111213519 204340578 /nfs/dbraw/zinc/34/05/78/204340578.db2.gz PMDYISAUYKWNMC-HNNXBMFYSA-N 0 0 328.420 1.189 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCC(c2cnn(CC)c2)CC1 ZINC000111212247 204342218 /nfs/dbraw/zinc/34/22/18/204342218.db2.gz PEMPADZZSDSZSZ-UHFFFAOYSA-N 0 0 336.436 1.104 10 0 EDAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112654240 204409238 /nfs/dbraw/zinc/40/92/38/204409238.db2.gz ZPYYQFKIXBKOLE-RYUDHWBXSA-N 0 0 337.424 1.403 10 0 EDAERN CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112653523 204409271 /nfs/dbraw/zinc/40/92/71/204409271.db2.gz IOEJQYPTJIEIAA-GFCCVEGCSA-N 0 0 342.403 1.553 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)Nc3cccnc3)CC2)n1 ZINC000112103761 204382986 /nfs/dbraw/zinc/38/29/86/204382986.db2.gz SZGWWMWIHIKXHR-LBPRGKRZSA-N 0 0 330.392 1.938 10 0 EDAERN O=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@H]1COc2ccccc21 ZINC000195193534 139009709 /nfs/dbraw/zinc/00/97/09/139009709.db2.gz ZIEUZNPXNLKNNG-CJNGLKHVSA-N 0 0 346.358 1.998 10 0 EDAERN Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195273253 139012189 /nfs/dbraw/zinc/01/21/89/139012189.db2.gz OJVQGENGTUFBEU-SNVBAGLBSA-N 0 0 336.827 1.842 10 0 EDAERN CCc1csc([C@H]2CCCN([C@@H](C)C(=O)NCC(=O)OC)C2)n1 ZINC000195377998 139015523 /nfs/dbraw/zinc/01/55/23/139015523.db2.gz LUUNBEPFOHHIKB-RYUDHWBXSA-N 0 0 339.461 1.563 10 0 EDAERN Cn1ccnc1Sc1ccc(F)cc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000195450928 139016972 /nfs/dbraw/zinc/01/69/72/139016972.db2.gz YKXCALMXGXTHBH-VIFPVBQESA-N 0 0 334.376 1.785 10 0 EDAERN COC(=O)NCCCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116776919 204539301 /nfs/dbraw/zinc/53/93/01/204539301.db2.gz SSWQHONIGNTCPL-CQSZACIVSA-N 0 0 337.424 1.270 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)c1ccccc1Br ZINC000195479200 139017726 /nfs/dbraw/zinc/01/77/26/139017726.db2.gz XQICHNAIYCWJHR-UHFFFAOYSA-N 0 0 345.222 1.990 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000195519854 139019711 /nfs/dbraw/zinc/01/97/11/139019711.db2.gz ZDWXRKWRCFVCDQ-CQSZACIVSA-N 0 0 349.456 1.865 10 0 EDAERN O=C(CN1CCO[C@H](c2nccs2)C1)NCc1ccccc1F ZINC000195521490 139019860 /nfs/dbraw/zinc/01/98/60/139019860.db2.gz VTALGEUSYWVVSK-AWEZNQCLSA-N 0 0 335.404 1.972 10 0 EDAERN Cc1cnn(CCNC(=O)NCCCNC(=O)OC(C)(C)C)c1 ZINC000118071743 204584793 /nfs/dbraw/zinc/58/47/93/204584793.db2.gz IFXDPSSLOJWLLC-UHFFFAOYSA-N 0 0 325.413 1.406 10 0 EDAERN O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000263371439 304166101 /nfs/dbraw/zinc/16/61/01/304166101.db2.gz NBWVDNXBMZQBLT-DHSIGJKJSA-N 0 0 335.448 1.900 10 0 EDAERN CCNc1ncc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000050769648 204854799 /nfs/dbraw/zinc/85/47/99/204854799.db2.gz IAVCJOVYAYUFOU-SNVBAGLBSA-N 0 0 331.825 1.426 10 0 EDAERN CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@H](C)O1)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000153876209 204909185 /nfs/dbraw/zinc/90/91/85/204909185.db2.gz VDTKACPLWRODBG-QMHWVQJVSA-N 0 0 340.464 1.769 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1sccc1OC ZINC000124201969 204953503 /nfs/dbraw/zinc/95/35/03/204953503.db2.gz CVTSABPQPDCBAC-VIFPVBQESA-N 0 0 342.446 1.724 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000154377405 204953630 /nfs/dbraw/zinc/95/36/30/204953630.db2.gz RRPGWKRGCRWXQC-WXHSDQCUSA-N 0 0 333.392 1.826 10 0 EDAERN O=C([O-])[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@@H]1CCOC1)CCC2 ZINC000096064283 304169395 /nfs/dbraw/zinc/16/93/95/304169395.db2.gz UUNFZGPVNYMSEW-MPGHIAIKSA-N 0 0 346.431 1.116 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2cc(Br)ccc2F)C1 ZINC000125219799 205000176 /nfs/dbraw/zinc/00/01/76/205000176.db2.gz CPEBRWOIPXNXLH-LBPRGKRZSA-N 0 0 345.212 1.578 10 0 EDAERN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](Cn2cncn2)C1 ZINC000126887620 205075952 /nfs/dbraw/zinc/07/59/52/205075952.db2.gz CGZOZCZOZLICDA-ZDUSSCGKSA-N 0 0 328.372 1.602 10 0 EDAERN CC(C)c1csc([C@@H]2CCCN(Cc3nc(N)nc(N)n3)C2)n1 ZINC000127736665 205115328 /nfs/dbraw/zinc/11/53/28/205115328.db2.gz RDZMZRASQROZOD-SNVBAGLBSA-N 0 0 333.465 1.996 10 0 EDAERN COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000128645704 205155971 /nfs/dbraw/zinc/15/59/71/205155971.db2.gz APNKMNPCBSJWAU-GFCCVEGCSA-N 0 0 347.350 1.228 10 0 EDAERN O=C(NCCc1cc(Cl)ccc1Br)[C@@H]1CNC(=O)C1 ZINC000130135709 205224810 /nfs/dbraw/zinc/22/48/10/205224810.db2.gz ZOFLTYPCPZTPGB-VIFPVBQESA-N 0 0 345.624 1.897 10 0 EDAERN O=C(Nc1ccccc1N1CCCC1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130692217 205251771 /nfs/dbraw/zinc/25/17/71/205251771.db2.gz XJGJOWDGFAMRGT-LSDHHAIUSA-N 0 0 345.443 1.893 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NC[C@H]3CSCCS3)C2)cn1 ZINC000132389224 205323251 /nfs/dbraw/zinc/32/32/51/205323251.db2.gz FKBDXQSULCWDGF-AAEUAGOBSA-N 0 0 326.491 1.768 10 0 EDAERN COc1cc(C)cc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000132962926 205349138 /nfs/dbraw/zinc/34/91/38/205349138.db2.gz JXTKBSZPDLEGQX-YJBOKZPZSA-N 0 0 347.459 1.866 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)C2(CCOC)CCC2)ncn1 ZINC000133707606 205375034 /nfs/dbraw/zinc/37/50/34/205375034.db2.gz UDWYHTWULKNSOW-AWEZNQCLSA-N 0 0 347.463 1.810 10 0 EDAERN COc1ccc(C[C@@H](C)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000134089540 205391647 /nfs/dbraw/zinc/39/16/47/205391647.db2.gz WUHUTDOCDQXOQK-UKRRQHHQSA-N 0 0 343.431 1.780 10 0 EDAERN CN(CCn1cccn1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000134231422 205398384 /nfs/dbraw/zinc/39/83/84/205398384.db2.gz RECUOFGGOKCDFI-RDJZCZTQSA-N 0 0 344.390 1.700 10 0 EDAERN C[C@H](NC(=O)CN1CC(=O)NC1=O)c1c(Cl)ccc(F)c1Cl ZINC000111574022 220166245 /nfs/dbraw/zinc/16/62/45/220166245.db2.gz IHOVIUKHURROGL-LURJTMIESA-N 0 0 348.161 1.862 10 0 EDAERN O=C(c1cc(Cl)ccn1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136414717 205504216 /nfs/dbraw/zinc/50/42/16/205504216.db2.gz RKHFMZCEKYRDBL-UHFFFAOYSA-N 0 0 343.778 1.135 10 0 EDAERN O=S1(=O)C[C@H](Oc2ccc(F)c(Br)c2)[C@H](O)C1 ZINC000137665471 205537608 /nfs/dbraw/zinc/53/76/08/205537608.db2.gz VJNHUGHIEYYBND-ZJUUUORDSA-N 0 0 325.155 1.125 10 0 EDAERN O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](Oc2ccccn2)C1 ZINC000238857751 139070026 /nfs/dbraw/zinc/07/00/26/139070026.db2.gz KDMQTNOIRCLAPJ-AWEZNQCLSA-N 0 0 346.408 1.859 10 0 EDAERN Cc1ccc(C)c(SCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154104664 205907187 /nfs/dbraw/zinc/90/71/87/205907187.db2.gz RLTNSGQJQCAMFG-OAHLLOKOSA-N 0 0 338.473 1.205 10 0 EDAERN CCN(CC(C)(C)O)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177322353 284434786 /nfs/dbraw/zinc/43/47/86/284434786.db2.gz DVBCCSAXFUWAAJ-LBPRGKRZSA-N 0 0 342.461 1.954 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCCOC2)cc(S(N)(=O)=O)c1Cl ZINC000138540321 223706128 /nfs/dbraw/zinc/70/61/28/223706128.db2.gz GCQIQVNCKUGZMM-SNVBAGLBSA-N 0 0 332.809 1.205 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000155748926 206030684 /nfs/dbraw/zinc/03/06/84/206030684.db2.gz CBWAPOXJAKOAHS-LBPRGKRZSA-N 0 0 342.754 1.972 10 0 EDAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N[C@H]1COc2ccccc21 ZINC000156322756 206069361 /nfs/dbraw/zinc/06/93/61/206069361.db2.gz COTBJMTXTGXRBD-NSHDSACASA-N 0 0 336.298 1.337 10 0 EDAERN CS(=O)(=O)CCN(C[C@H](O)COCc1ccccc1)C1CC1 ZINC000156594028 206086629 /nfs/dbraw/zinc/08/66/29/206086629.db2.gz VNNSLVVQOSMYKD-INIZCTEOSA-N 0 0 327.446 1.073 10 0 EDAERN COC(=O)[C@H]1CCCCN1c1ncncc1I ZINC000157279747 206126641 /nfs/dbraw/zinc/12/66/41/206126641.db2.gz WMXQCNRLGHZCRI-SECBINFHSA-N 0 0 347.156 1.613 10 0 EDAERN CC(C)C[C@@H](CNC(=O)N1CC[C@@]2(CCOC2)C1)N1CCOCC1 ZINC000156979855 206109347 /nfs/dbraw/zinc/10/93/47/206109347.db2.gz PGOLOKJMHRNSOK-FUHWJXTLSA-N 0 0 339.480 1.555 10 0 EDAERN CCCn1c(C)nnc1CN1CCC(N(C)c2cccnn2)CC1 ZINC000156967333 206109998 /nfs/dbraw/zinc/10/99/98/206109998.db2.gz CJANLDKQVBYZLV-UHFFFAOYSA-N 0 0 329.452 1.887 10 0 EDAERN CN1CC[C@H](Oc2ccc(Br)cc2C(N)=S)C1=O ZINC000157486528 206137930 /nfs/dbraw/zinc/13/79/30/206137930.db2.gz VRWJYMGTQZHGGJ-JTQLQIEISA-N 0 0 329.219 1.693 10 0 EDAERN CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(N)c(Br)c1 ZINC000157959466 206165358 /nfs/dbraw/zinc/16/53/58/206165358.db2.gz JQGXSWXPDBROSG-MRVPVSSYSA-N 0 0 335.223 1.441 10 0 EDAERN COC(=O)Cn1cc(CCN2CCC[C@@H]2c2noc(C(C)C)n2)nn1 ZINC000157952067 206165404 /nfs/dbraw/zinc/16/54/04/206165404.db2.gz OZQMCJSFEWQODC-CYBMUJFWSA-N 0 0 348.407 1.337 10 0 EDAERN C[S@@](=O)CCn1nnnc1-c1cc(N)ccc1Br ZINC000159026299 206222346 /nfs/dbraw/zinc/22/23/46/206222346.db2.gz DEWIAKMZCADFSP-SFHVURJKSA-N 0 0 330.211 1.063 10 0 EDAERN CC(C)CNC(=O)CN(C)c1ncc(I)cn1 ZINC000159235668 206232649 /nfs/dbraw/zinc/23/26/49/206232649.db2.gz XIUHIFMKFZQIKY-UHFFFAOYSA-N 0 0 348.188 1.290 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000159269798 206236109 /nfs/dbraw/zinc/23/61/09/206236109.db2.gz CNXZXZHSXSUJAN-CJNGLKHVSA-N 0 0 341.415 1.853 10 0 EDAERN COc1ccc(Cn2cnc(S(N)(=O)=O)c2)cc1Br ZINC000159384647 206243101 /nfs/dbraw/zinc/24/31/01/206243101.db2.gz DDCRULNQSCGTQD-UHFFFAOYSA-N 0 0 346.206 1.350 10 0 EDAERN CC1CCC2(CC1)OC[C@H](CNC(=O)N[C@H]1CCCC[C@H]1O)O2 ZINC000246092875 139094596 /nfs/dbraw/zinc/09/45/96/139094596.db2.gz JVHNCGBMIJYXQO-AUUXXJPVSA-N 0 0 326.437 1.911 10 0 EDAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246176812 139097775 /nfs/dbraw/zinc/09/77/75/139097775.db2.gz UFONXYPEVLIJRI-STQMWFEESA-N 0 0 342.451 1.410 10 0 EDAERN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]1C ZINC000246176072 139097804 /nfs/dbraw/zinc/09/78/04/139097804.db2.gz DUGUVCCZEWTYOZ-FPMFFAJLSA-N 0 0 342.486 1.611 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)no1 ZINC000246362914 139105593 /nfs/dbraw/zinc/10/55/93/139105593.db2.gz PWHFYBZCGFKXDK-GXTWGEPZSA-N 0 0 337.424 1.163 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)C[C@H]1N1CCOCC1 ZINC000246451016 139109048 /nfs/dbraw/zinc/10/90/48/139109048.db2.gz IUGYZKHVJRNIQD-DGCLKSJQSA-N 0 0 346.399 1.306 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1F ZINC000246450523 139109057 /nfs/dbraw/zinc/10/90/57/139109057.db2.gz IRVUIYBGNLUXEV-BBRMVZONSA-N 0 0 342.436 1.475 10 0 EDAERN NC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@H]1CO)c1cccs1 ZINC000246565462 139113120 /nfs/dbraw/zinc/11/31/20/139113120.db2.gz HMEMHDNOJXSLRC-QJPTWQEYSA-N 0 0 325.434 1.515 10 0 EDAERN O=C(C[C@H]1CSCCS1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000246620548 139115447 /nfs/dbraw/zinc/11/54/47/139115447.db2.gz IJNZNQUKGRDZLP-OLZOCXBDSA-N 0 0 338.502 1.800 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)C2(O)CCCC2)c2cccs2)CCO1 ZINC000246724391 139118977 /nfs/dbraw/zinc/11/89/77/139118977.db2.gz GHYBATYVVCHRRO-UONOGXRCSA-N 0 0 338.473 1.931 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(C)nn1C ZINC000246807856 139122419 /nfs/dbraw/zinc/12/24/19/139122419.db2.gz UKONEQPPOIWSMM-RDBSUJKOSA-N 0 0 334.420 1.473 10 0 EDAERN C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000246827925 139123346 /nfs/dbraw/zinc/12/33/46/139123346.db2.gz SXCSHYNLHXDURC-VNHYZAJKSA-N 0 0 334.416 1.792 10 0 EDAERN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246898258 139126091 /nfs/dbraw/zinc/12/60/91/139126091.db2.gz HODFMIKMKGSLCG-OALUTQOASA-N 0 0 343.471 1.584 10 0 EDAERN CCC[C@H](C)CS(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247038499 139132732 /nfs/dbraw/zinc/13/27/32/139132732.db2.gz GODZOPLUGRVIAL-ZFWWWQNUSA-N 0 0 329.466 1.658 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccnn1C)C(C)C ZINC000102347281 206303069 /nfs/dbraw/zinc/30/30/69/206303069.db2.gz KJFVRRRPYOBGCP-OAHLLOKOSA-N 0 0 330.388 1.822 10 0 EDAERN CC[C@H]1CCN(S(=O)(=O)c2cc(Br)cnc2NN)C1 ZINC000160574999 206305255 /nfs/dbraw/zinc/30/52/55/206305255.db2.gz BCZWPYGMEDNUKA-QMMMGPOBSA-N 0 0 349.254 1.550 10 0 EDAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000162394881 206399546 /nfs/dbraw/zinc/39/95/46/206399546.db2.gz NCPLMFIILZPHGV-QGZVFWFLSA-N 0 0 347.459 1.361 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)cn1 ZINC000162896536 206426665 /nfs/dbraw/zinc/42/66/65/206426665.db2.gz DHHGPNMIXGEAER-HNNXBMFYSA-N 0 0 333.436 1.413 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)c1 ZINC000105892247 206458498 /nfs/dbraw/zinc/45/84/98/206458498.db2.gz AYSSZJMURJEUIP-INIZCTEOSA-N 0 0 332.448 1.197 10 0 EDAERN C[C@@H]1CCC[C@@H](C[NH3+])N1c1nc[n-]c(=O)c1I ZINC000164341689 206490887 /nfs/dbraw/zinc/49/08/87/206490887.db2.gz TWUAZLFYOOAGFB-SFYZADRCSA-N 0 0 348.188 1.081 10 0 EDAERN COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000247197123 139140041 /nfs/dbraw/zinc/14/00/41/139140041.db2.gz ORINAIRVYASLAN-LSDHHAIUSA-N 0 0 343.431 1.801 10 0 EDAERN Nc1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)ccc1Br ZINC000168345769 206544745 /nfs/dbraw/zinc/54/47/45/206544745.db2.gz ZBLZBJYCLUYTKQ-SNVBAGLBSA-N 0 0 338.205 1.478 10 0 EDAERN O=C(/C=C/c1ccc(Br)s1)N1CCOC[C@H]1CO ZINC000168500908 206545205 /nfs/dbraw/zinc/54/52/05/206545205.db2.gz SCBZNVYPXVLAGS-HDMKULJXSA-N 0 0 332.219 1.744 10 0 EDAERN Nc1cnc2ccc(Br)cc2c1N1CCO[C@@H](CO)C1 ZINC000166990599 206537067 /nfs/dbraw/zinc/53/70/67/206537067.db2.gz SQLOLWSSMLGBPX-SNVBAGLBSA-N 0 0 338.205 1.777 10 0 EDAERN COC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)cc2OC)CC1 ZINC000170549651 206578067 /nfs/dbraw/zinc/57/80/67/206578067.db2.gz WYCCWWKJXNKRRV-UHFFFAOYSA-N 0 0 341.429 1.886 10 0 EDAERN C[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1N1CCOCC1 ZINC000248387371 139161277 /nfs/dbraw/zinc/16/12/77/139161277.db2.gz PDLAXKMWNFBNJA-CZUORRHYSA-N 0 0 331.464 1.643 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000248806073 139176093 /nfs/dbraw/zinc/17/60/93/139176093.db2.gz RGRZSFHJVQQQBW-HUUCEWRRSA-N 0 0 340.464 1.820 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H](O)C[C@@H]1CO ZINC000249363929 139191676 /nfs/dbraw/zinc/19/16/76/139191676.db2.gz UFRPEPRPBVGUAN-WCQGTBRESA-N 0 0 328.796 1.103 10 0 EDAERN CCCCNC(=O)NC(=O)CN1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249527855 139194978 /nfs/dbraw/zinc/19/49/78/139194978.db2.gz AIKVAGRQLYVPDP-UONOGXRCSA-N 0 0 339.461 1.382 10 0 EDAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)nc2)cn1 ZINC000171433404 206705191 /nfs/dbraw/zinc/70/51/91/206705191.db2.gz OWQDIOQNAWKLCS-LBPRGKRZSA-N 0 0 326.809 1.994 10 0 EDAERN CCN1CCN(C(=O)[C@@H](C)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000249885937 139199703 /nfs/dbraw/zinc/19/97/03/139199703.db2.gz PBSNCGRQLVGHQX-ZIAGYGMSSA-N 0 0 338.477 1.069 10 0 EDAERN Cc1cccc(F)c1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000253153327 139205421 /nfs/dbraw/zinc/20/54/21/139205421.db2.gz UFNTVOQLAPCHSQ-HIFRSBDPSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CC(=O)N2 ZINC000171868520 206758239 /nfs/dbraw/zinc/75/82/39/206758239.db2.gz DMLWCBMYLQNQHN-GXFFZTMASA-N 0 0 340.387 1.148 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(F)cc3)C2)cn1 ZINC000172137884 206791904 /nfs/dbraw/zinc/79/19/04/206791904.db2.gz WHSXNKNJLUTZTB-CYBMUJFWSA-N 0 0 330.363 1.305 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)[C@@H]3CCCO3)C2=O)n(C)n1 ZINC000174951578 207075777 /nfs/dbraw/zinc/07/57/77/207075777.db2.gz VVQDGPXFNVSVDY-IHRRRGAJSA-N 0 0 349.435 1.091 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)c1 ZINC000174911811 207071875 /nfs/dbraw/zinc/07/18/75/207071875.db2.gz QYKAAIHHHATGDF-UHFFFAOYSA-N 0 0 325.372 1.438 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000175032302 207086362 /nfs/dbraw/zinc/08/63/62/207086362.db2.gz RZCTWCHTYBHVSQ-CQSZACIVSA-N 0 0 337.449 1.589 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2ccc(Cl)nc2)C[C@H]1N1CCOCC1 ZINC000175695609 207151355 /nfs/dbraw/zinc/15/13/55/207151355.db2.gz IQNHAACJBFEQNS-TZMCWYRMSA-N 0 0 338.839 1.597 10 0 EDAERN CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262493965 139282316 /nfs/dbraw/zinc/28/23/16/139282316.db2.gz ZVFFYUDPXIYLQH-QWRGUYRKSA-N 0 0 326.418 1.512 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2nc3c(s2)COCC3)CC1 ZINC000176420643 207225133 /nfs/dbraw/zinc/22/51/33/207225133.db2.gz XODAPVFUKIUOQM-LLVKDONJSA-N 0 0 340.449 1.136 10 0 EDAERN CSc1ccc(Cl)c(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000176438510 207228373 /nfs/dbraw/zinc/22/83/73/207228373.db2.gz NNDQIJNFFVNKBA-LLVKDONJSA-N 0 0 344.864 1.485 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)c2cnsn2)c2cccs2)CCO1 ZINC000176590608 207240239 /nfs/dbraw/zinc/24/02/39/207240239.db2.gz WQFWBHTXCIBODZ-PWSUYJOCSA-N 0 0 338.458 1.791 10 0 EDAERN CN(C)C(=O)C1(CNC(=O)N[C@H]2CCCn3ncnc32)CCCC1 ZINC000177341561 207323144 /nfs/dbraw/zinc/32/31/44/207323144.db2.gz OTFGNMOVFADLJU-LBPRGKRZSA-N 0 0 334.424 1.061 10 0 EDAERN COC[C@@H](C)C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177402049 207332155 /nfs/dbraw/zinc/33/21/55/207332155.db2.gz FYFBLWWNBXLBNR-OTYXRUKQSA-N 0 0 332.322 1.805 10 0 EDAERN C[C@@H](SC[C@H](O)CO)C(=O)Nc1cccc(Br)c1 ZINC000177413667 207333270 /nfs/dbraw/zinc/33/32/70/207333270.db2.gz QCYCGWHPOQIFNT-LDYMZIIASA-N 0 0 334.235 1.863 10 0 EDAERN O=C(CSC[C@@H](O)CO)Nc1ncc(C(F)(F)F)cc1Cl ZINC000177428512 207335895 /nfs/dbraw/zinc/33/58/95/207335895.db2.gz HVKYXSVCGXDZGF-ZETCQYMHSA-N 0 0 344.742 1.779 10 0 EDAERN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177634394 207367467 /nfs/dbraw/zinc/36/74/67/207367467.db2.gz HVMPMLDEBGAUNR-GFCCVEGCSA-N 0 0 343.387 1.055 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000177652241 207370707 /nfs/dbraw/zinc/37/07/07/207370707.db2.gz RIZNJPLWNNLFJS-MRXNPFEDSA-N 0 0 342.399 1.366 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CC(F)(F)CN1)c1ccc2c(c1)NC(=O)CO2 ZINC000262904069 139311788 /nfs/dbraw/zinc/31/17/88/139311788.db2.gz DXQUVPGBLBGMGY-LDYMZIIASA-N 0 0 325.315 1.192 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1nc(-c2ccco2)no1 ZINC000177692785 207378669 /nfs/dbraw/zinc/37/86/69/207378669.db2.gz CLIMRSAYTPLQON-NSHDSACASA-N 0 0 342.359 1.813 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000177720212 207385000 /nfs/dbraw/zinc/38/50/00/207385000.db2.gz QVBXTCCCNWAAQD-OCCSQVGLSA-N 0 0 343.387 1.179 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-c3ncn(C)n3)cc2)C[C@H]1C ZINC000183828174 532961096 /nfs/dbraw/zinc/96/10/96/532961096.db2.gz ZNKSSNNHRGEWLY-CQSZACIVSA-N 0 0 343.431 1.275 10 0 EDAERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@@H]1CCCC[C@H]1CO ZINC000179243904 207596138 /nfs/dbraw/zinc/59/61/38/207596138.db2.gz JMXBELIEVZUCLK-UONOGXRCSA-N 0 0 331.416 1.846 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccncc2F)ncn1 ZINC000184163910 533049426 /nfs/dbraw/zinc/04/94/26/533049426.db2.gz PUAPSYOQKSWZAF-LLVKDONJSA-N 0 0 345.382 1.843 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCC(=O)Nc1ccccc1 ZINC000113208640 220480336 /nfs/dbraw/zinc/48/03/36/220480336.db2.gz WEUJNYHLBIMQGD-GFCCVEGCSA-N 0 0 329.356 1.543 10 0 EDAERN O=C1Nc2cc(S(=O)(=O)N3CCCC3)ccc2N2CCCC[C@H]12 ZINC000021020056 296399561 /nfs/dbraw/zinc/39/95/61/296399561.db2.gz CREGPHHHBMBPHG-OAHLLOKOSA-N 0 0 335.429 1.782 10 0 EDAERN COc1ccc(CCN(CC(C)C)C(=O)[C@@H]2CNC(=O)C2)cc1OC ZINC000115218751 220818607 /nfs/dbraw/zinc/81/86/07/220818607.db2.gz ITHZWQSZWWXBKV-HNNXBMFYSA-N 0 0 348.443 1.867 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(C(=O)OC)c2)CCN1CCOC ZINC000117307854 221050692 /nfs/dbraw/zinc/05/06/92/221050692.db2.gz IGNSYYSGIYMYGF-MRXNPFEDSA-N 0 0 334.416 1.656 10 0 EDAERN COc1cccc(CS(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000117924944 221100247 /nfs/dbraw/zinc/10/02/47/221100247.db2.gz RTNYGJRIEGNZJW-AWEZNQCLSA-N 0 0 335.429 1.748 10 0 EDAERN CCOCCN1CCN(C(=O)CSCC(F)(F)F)C[C@@H]1C ZINC000118991356 221218204 /nfs/dbraw/zinc/21/82/04/221218204.db2.gz CRRXCCSQWSNTHA-NSHDSACASA-N 0 0 328.400 1.851 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)c2coc(S(=O)(=O)N(C)C)c2)o1 ZINC000119503903 221335568 /nfs/dbraw/zinc/33/55/68/221335568.db2.gz OMNSVBVZYKFNOU-JTQLQIEISA-N 0 0 326.374 1.922 10 0 EDAERN C[C@H](CNC1(c2noc(C3CC3)n2)CCCC1)CS(C)(=O)=O ZINC000119463079 221325982 /nfs/dbraw/zinc/32/59/82/221325982.db2.gz OIPANNZNUAMFAD-LLVKDONJSA-N 0 0 327.450 1.987 10 0 EDAERN COCCO[C@H]1CCN(C(=O)c2cnoc2C)[C@@H]1Cc1cnn(C)c1 ZINC000248116495 257664459 /nfs/dbraw/zinc/66/44/59/257664459.db2.gz ITFWOPAKUHJGJZ-CVEARBPZSA-N 0 0 348.403 1.205 10 0 EDAERN CC(=O)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC000247911819 257673998 /nfs/dbraw/zinc/67/39/98/257673998.db2.gz DUNQZYXQSKOTBP-BFHYXJOUSA-N 0 0 332.433 1.251 10 0 EDAERN O=C(c1cocn1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F ZINC000247863302 257676758 /nfs/dbraw/zinc/67/67/58/257676758.db2.gz NNEJOPSDEVDAIJ-GFCCVEGCSA-N 0 0 347.346 1.909 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)CSc1ccc(Cl)cc1 ZINC000168819697 533548537 /nfs/dbraw/zinc/54/85/37/533548537.db2.gz UCOYAMVQONSDJV-CMPLNLGQSA-N 0 0 329.805 1.567 10 0 EDAERN O=C(c1ccccc1F)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000062577581 132805800 /nfs/dbraw/zinc/80/58/00/132805800.db2.gz UQYQSJQRPXEEQR-UHFFFAOYSA-N 0 0 340.358 1.958 10 0 EDAERN O=C(Nc1ccc2c(c1)OCCO2)c1cnc(N2CCOCC2)nc1 ZINC000015777895 135708420 /nfs/dbraw/zinc/70/84/20/135708420.db2.gz WMPKNZMOUQSTRD-UHFFFAOYSA-N 0 0 342.355 1.337 10 0 EDAERN Cc1nc2c(cnn2C)c(N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000333315705 141297752 /nfs/dbraw/zinc/29/77/52/141297752.db2.gz WCEZCOUGKZCRGJ-OLZOCXBDSA-N 0 0 328.420 1.875 10 0 EDAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC[C@@H](n2ccnn2)C1 ZINC000333610981 141344556 /nfs/dbraw/zinc/34/45/56/141344556.db2.gz RZNVLGPQFPOXAH-OCCSQVGLSA-N 0 0 325.372 1.568 10 0 EDAERN C[C@@H]1CN(c2ccnc(C(=O)N3CC[C@H](C)[C@@H](O)C3)c2)C[C@H](C)O1 ZINC000333774896 141378896 /nfs/dbraw/zinc/37/88/96/141378896.db2.gz YXJGMJHXQARXOR-ZJOBFFGXSA-N 0 0 333.432 1.538 10 0 EDAERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000333980245 141420972 /nfs/dbraw/zinc/42/09/72/141420972.db2.gz CAEQISLVNYYPNR-NWDGAFQWSA-N 0 0 335.370 1.578 10 0 EDAERN O=C([C@@H]1CCOc2ccc(Cl)cc21)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328920987 304356301 /nfs/dbraw/zinc/35/63/01/304356301.db2.gz TXAXLWKEPMPWTM-YPMHNXCESA-N 0 0 348.790 1.924 10 0 EDAERN CO[C@]1(C)C[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1(C)C ZINC000173721925 286168517 /nfs/dbraw/zinc/16/85/17/286168517.db2.gz DZIDLAARGLRNAQ-GRDNDAEWSA-N 0 0 325.453 1.306 10 0 EDAERN COc1c(Br)cccc1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000186884839 286175466 /nfs/dbraw/zinc/17/54/66/286175466.db2.gz BLWYHONLFUPHJC-CMPLNLGQSA-N 0 0 327.178 1.287 10 0 EDAERN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@H]1c1ccco1 ZINC000176601665 304401496 /nfs/dbraw/zinc/40/14/96/304401496.db2.gz IKESPQYBXLEBQC-SWLSCSKDSA-N 0 0 347.396 1.673 10 0 EDAERN COCCCS(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000128759073 292366827 /nfs/dbraw/zinc/36/68/27/292366827.db2.gz ICDKEGYPQQWLTC-CYBMUJFWSA-N 0 0 342.465 1.508 10 0 EDAERN C[C@H](CC(=O)N1CCC(Oc2cnccn2)CC1)N1CCCCC1=O ZINC000328746444 161606246 /nfs/dbraw/zinc/60/62/46/161606246.db2.gz OSCBWNQOSFBKGP-CQSZACIVSA-N 0 0 346.431 1.638 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCC(C)(C)C[C@H](C)O ZINC000074546974 287271907 /nfs/dbraw/zinc/27/19/07/287271907.db2.gz AEYMBVWDEBHTOO-UONOGXRCSA-N 0 0 327.469 1.826 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC(=O)N1CCCCC1 ZINC000076007807 287280447 /nfs/dbraw/zinc/28/04/47/287280447.db2.gz CEGNQNLCFOXRKN-AWEZNQCLSA-N 0 0 325.453 1.988 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000089777112 287322904 /nfs/dbraw/zinc/32/29/04/287322904.db2.gz ODICALSLCQKYFM-QGZVFWFLSA-N 0 0 335.367 1.956 10 0 EDAERN O=S(=O)(NCC1CC(O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000091525814 287332344 /nfs/dbraw/zinc/33/23/44/287332344.db2.gz YRZMPFSBSZVIMP-UHFFFAOYSA-N 0 0 325.308 1.634 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CSCc1cccnc1)CC2 ZINC000114863982 287343882 /nfs/dbraw/zinc/34/38/82/287343882.db2.gz SOQXKLCOWWYJHE-CYBMUJFWSA-N 0 0 331.445 1.600 10 0 EDAERN CSCC[C@H](NCc1nnnn1C(C)C)c1nnc2ccccn21 ZINC000119974250 287357649 /nfs/dbraw/zinc/35/76/49/287357649.db2.gz JLURTKJIAGRQJI-LBPRGKRZSA-N 0 0 346.464 1.881 10 0 EDAERN CCc1nc(C2(NC[C@@H](O)COC3CCOCC3)CCCC2)no1 ZINC000122416126 287380165 /nfs/dbraw/zinc/38/01/65/287380165.db2.gz YVQZESKKIPOTOA-CYBMUJFWSA-N 0 0 339.436 1.547 10 0 EDAERN Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000165582999 226130491 /nfs/dbraw/zinc/13/04/91/226130491.db2.gz KABSEOVMMHWLGA-LLVKDONJSA-N 0 0 345.378 1.878 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@](C)(O)c1cccs1)CC2 ZINC000120523525 221603422 /nfs/dbraw/zinc/60/34/22/221603422.db2.gz IQRGQQMSOJFPDA-ZBEGNZNMSA-N 0 0 349.460 1.424 10 0 EDAERN COCCCNC(=O)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121241834 221795690 /nfs/dbraw/zinc/79/56/90/221795690.db2.gz ZGXKCCUCEZGLDD-SWLSCSKDSA-N 0 0 328.359 1.225 10 0 EDAERN COC(=O)[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)c1ccccc1 ZINC000122101116 222014107 /nfs/dbraw/zinc/01/41/07/222014107.db2.gz HUOQNAOPOWVLLI-OAHLLOKOSA-N 0 0 338.367 1.921 10 0 EDAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123185201 222231453 /nfs/dbraw/zinc/23/14/53/222231453.db2.gz KNOHUXNPCPYDDQ-CVEARBPZSA-N 0 0 331.416 1.852 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cncc(I)c1 ZINC000123357656 222263540 /nfs/dbraw/zinc/26/35/40/222263540.db2.gz MLZXNSLPFSGWMJ-RKDXNWHRSA-N 0 0 346.168 1.936 10 0 EDAERN CCC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000136543726 287578952 /nfs/dbraw/zinc/57/89/52/287578952.db2.gz BMWTXDINTALMQC-UKRRQHHQSA-N 0 0 332.400 1.885 10 0 EDAERN COc1cc2c(c3oc(=O)c4c(c13)C[C@H](O)C4=O)[C@H]1C=CO[C@H]1O2 ZINC000100257509 262508859 /nfs/dbraw/zinc/50/88/59/262508859.db2.gz JUJRETIUKMEFIA-OLZHXRBTSA-N 0 0 328.276 1.247 10 0 endogenous,in-man EDAERN COC(=O)C1CCC(C(=O)N[C@H](CO)Cc2ccccc2C)CC1 ZINC000190554935 272974519 /nfs/dbraw/zinc/97/45/19/272974519.db2.gz BOPBXDUHMHKHJU-DQPZFDDXSA-N 0 0 333.428 1.994 10 0 EDAERN Cn1c(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)nnc1C1CC1 ZINC000194684698 273004933 /nfs/dbraw/zinc/00/49/33/273004933.db2.gz SZHAIOLIIDIJAY-QGZVFWFLSA-N 0 0 343.362 1.799 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2ccccc2F)C1)C(C)C ZINC000178435672 267564795 /nfs/dbraw/zinc/56/47/95/267564795.db2.gz PLTMTHRJAILLOP-LSDHHAIUSA-N 0 0 337.395 1.679 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ncon1)C(C)C ZINC000182539601 267657233 /nfs/dbraw/zinc/65/72/33/267657233.db2.gz FYEYXXJZSOJENA-FZMZJTMJSA-N 0 0 346.387 1.710 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccsc1 ZINC000046366481 272912440 /nfs/dbraw/zinc/91/24/40/272912440.db2.gz FOVDMKIFMORZPW-ZDUSSCGKSA-N 0 0 330.475 1.611 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000066856623 272915228 /nfs/dbraw/zinc/91/52/28/272915228.db2.gz KHDPNRNLZKTVQN-SNVBAGLBSA-N 0 0 328.376 1.277 10 0 EDAERN CCOC(=O)[C@H](c1ccccc1)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246384929 276292738 /nfs/dbraw/zinc/29/27/38/276292738.db2.gz IJFXTYPDDQBOHC-SZMVWBNQSA-N 0 0 332.444 1.943 10 0 EDAERN CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000249680373 277046841 /nfs/dbraw/zinc/04/68/41/277046841.db2.gz AHOZGDBKWDCTKN-IUODEOHRSA-N 0 0 331.416 1.817 10 0 EDAERN CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000176105765 278039637 /nfs/dbraw/zinc/03/96/37/278039637.db2.gz ZDMOJNHXWQZAST-CQSZACIVSA-N 0 0 327.388 1.991 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000189318933 278072472 /nfs/dbraw/zinc/07/24/72/278072472.db2.gz ALWIYRNNWSUOCQ-IAGOWNOFSA-N 0 0 332.400 1.113 10 0 EDAERN CC(C)N(CC(N)=O)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171790677 279415293 /nfs/dbraw/zinc/41/52/93/279415293.db2.gz CXHSYOOQWDIUEU-RHSMWYFYSA-N 0 0 331.416 1.318 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C[C@@H](O)CC(F)(F)F)CC2)n1 ZINC000189197425 279945844 /nfs/dbraw/zinc/94/58/44/279945844.db2.gz UAXGNSMJAUXABN-LBPRGKRZSA-N 0 0 348.369 1.619 10 0 EDAERN Cc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)oc2c1C(=O)CCC2 ZINC000172767215 280210592 /nfs/dbraw/zinc/21/05/92/280210592.db2.gz WKARIJZQKVQTBJ-ZDUSSCGKSA-N 0 0 332.400 1.654 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC2(C)OCCO2)[C@H]1c1ccccc1 ZINC000179209907 289793070 /nfs/dbraw/zinc/79/30/70/289793070.db2.gz PXOASODUEAMYCM-GDBMZVCRSA-N 0 0 332.400 1.475 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000191338184 297573233 /nfs/dbraw/zinc/57/32/33/297573233.db2.gz MYBWJGKSDSJPNI-DTWKUNHWSA-N 0 0 329.194 1.901 10 0 EDAERN Cc1cc(C)nc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1 ZINC000155068191 301264811 /nfs/dbraw/zinc/26/48/11/301264811.db2.gz TUEJIZHAFLISEA-RHSMWYFYSA-N 0 0 341.415 1.980 10 0 EDAERN CCn1c(C)nnc1CN1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 ZINC000548665023 306134102 /nfs/dbraw/zinc/13/41/02/306134102.db2.gz KHDJSTPSBXZNPZ-INIZCTEOSA-N 0 0 348.476 1.609 10 0 EDAERN CCSc1nnc(N)n1CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000001922606 440853089 /nfs/dbraw/zinc/85/30/89/440853089.db2.gz MFJVZKKJRRJERB-UHFFFAOYSA-N 0 0 337.405 1.628 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000043944721 440811966 /nfs/dbraw/zinc/81/19/66/440811966.db2.gz IBECDWBRVXBOES-NSHDSACASA-N 0 0 326.356 1.934 10 0 EDAERN CC(=O)O[C@@]1(C)[C@](C)([C@](C)(O)CO)O[C@]2(C)OC(C)(C)O[C@]21C ZINC000005291881 440945721 /nfs/dbraw/zinc/94/57/21/440945721.db2.gz JUCOWZOERKEZOP-YXMSTPNBSA-N 0 0 332.393 1.098 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000046143211 441085742 /nfs/dbraw/zinc/08/57/42/441085742.db2.gz GWRIXYFDDKQGAS-CYBMUJFWSA-N 0 0 326.462 1.954 10 0 EDAERN C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCCO1 ZINC000046972694 441143661 /nfs/dbraw/zinc/14/36/61/441143661.db2.gz WEDXFDHLCDKCND-GDBMZVCRSA-N 0 0 331.416 1.722 10 0 EDAERN C[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000046971175 441143665 /nfs/dbraw/zinc/14/36/65/441143665.db2.gz YJHDDDJRHQORAN-BBRMVZONSA-N 0 0 349.406 1.861 10 0 EDAERN COCCN1C(=O)CC[C@]2(CNC(=O)c3ccncc3)CCC[C@@H]12 ZINC000097942884 441147755 /nfs/dbraw/zinc/14/77/55/441147755.db2.gz XAWYGYOQCPYMBH-QAPCUYQASA-N 0 0 331.416 1.619 10 0 EDAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CCCO2)C1 ZINC000101983282 441164147 /nfs/dbraw/zinc/16/41/47/441164147.db2.gz UUDKKVGJXQNRHP-ILXRZTDVSA-N 0 0 325.453 1.892 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCN2CCCC2=O)C1 ZINC000101763507 441162165 /nfs/dbraw/zinc/16/21/65/441162165.db2.gz KOMJYPUCMPKNNB-AWEZNQCLSA-N 0 0 338.452 1.089 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)NCCN(C)C(=O)OC(C)(C)C)C1 ZINC000105174340 441240016 /nfs/dbraw/zinc/24/00/16/441240016.db2.gz UHFOBAOQDWJLJI-ZDUSSCGKSA-N 0 0 328.457 1.637 10 0 EDAERN O=C(NCCc1ccccn1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000047634916 441213037 /nfs/dbraw/zinc/21/30/37/441213037.db2.gz RVNIJXVWWDLPQL-HNNXBMFYSA-N 0 0 345.424 1.842 10 0 EDAERN CCc1noc([C@H](C)N2CCN([C@H](C)C(=O)N(CC)CC)CC2)n1 ZINC000105865278 441295303 /nfs/dbraw/zinc/29/53/03/441295303.db2.gz WJWZOJURWUAWPU-UONOGXRCSA-N 0 0 337.468 1.568 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798971 441273607 /nfs/dbraw/zinc/27/36/07/441273607.db2.gz NQPKOKGIMDLMOF-MRXNPFEDSA-N 0 0 331.464 1.780 10 0 EDAERN CCCCNC(=O)NC(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105806600 441274776 /nfs/dbraw/zinc/27/47/76/441274776.db2.gz KTIKFHXUSIMFLM-UHFFFAOYSA-N 0 0 348.451 1.003 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cc(C)nn3C)CC2)cn1 ZINC000105834320 441287811 /nfs/dbraw/zinc/28/78/11/441287811.db2.gz ZDWXPSHJPHFHHS-UHFFFAOYSA-N 0 0 344.463 1.683 10 0 EDAERN O=C(CCNC(=O)c1cccs1)N1CCC[C@@H](n2cncn2)C1 ZINC000105853549 441292026 /nfs/dbraw/zinc/29/20/26/441292026.db2.gz KOSURKWDNWIQLT-GFCCVEGCSA-N 0 0 333.417 1.323 10 0 EDAERN CCCCCNC(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865816 441296434 /nfs/dbraw/zinc/29/64/34/441296434.db2.gz IKDFTJSAFIIEFW-QGZVFWFLSA-N 0 0 349.523 1.849 10 0 EDAERN COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)C(C)C)c(F)cc1F ZINC000048698313 441325478 /nfs/dbraw/zinc/32/54/78/441325478.db2.gz MGTLCJYBLPKMGF-MRVPVSSYSA-N 0 0 328.315 1.851 10 0 EDAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000048699350 441325567 /nfs/dbraw/zinc/32/55/67/441325567.db2.gz MXEMQPNLGIAJTR-GFCCVEGCSA-N 0 0 331.416 1.986 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC000106396747 441338269 /nfs/dbraw/zinc/33/82/69/441338269.db2.gz DWLHBVIFHOZRHW-RDJZCZTQSA-N 0 0 331.416 1.095 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000106398229 441339224 /nfs/dbraw/zinc/33/92/24/441339224.db2.gz QIFWDDPTQHWPIS-CQSZACIVSA-N 0 0 330.388 1.265 10 0 EDAERN CS(=O)(=O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000049093189 441345865 /nfs/dbraw/zinc/34/58/65/441345865.db2.gz ABUASWQEPMMIOK-UHFFFAOYSA-N 0 0 337.367 1.267 10 0 EDAERN O=C(Nc1cc(-n2cnnn2)ccc1F)N[C@H]1CCCC[C@@H]1CO ZINC000081624199 441297014 /nfs/dbraw/zinc/29/70/14/441297014.db2.gz QSRVCASQZBEDHY-MFKMUULPSA-N 0 0 334.355 1.474 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3nc(C4CC4)no3)CC2)n1 ZINC000105868770 441298946 /nfs/dbraw/zinc/29/89/46/441298946.db2.gz YQUQZDYGDKTDED-UHFFFAOYSA-N 0 0 344.419 1.766 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(Cc3cn4cccnc4n3)CCO2)n1 ZINC000105893512 441310989 /nfs/dbraw/zinc/31/09/89/441310989.db2.gz SVVTXXPSDZRKRP-INIZCTEOSA-N 0 0 326.404 1.444 10 0 EDAERN Cc1cnn([C@H]2CCCN(CC(=O)NC(=O)NC3CCCCC3)C2)c1 ZINC000105899560 441312161 /nfs/dbraw/zinc/31/21/61/441312161.db2.gz QKFRAJRNBAVELX-INIZCTEOSA-N 0 0 347.463 1.987 10 0 EDAERN CCn1cnnc1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 ZINC000105904673 441314915 /nfs/dbraw/zinc/31/49/15/441314915.db2.gz BPSLHIPRXCLBGP-UHFFFAOYSA-N 0 0 348.472 1.951 10 0 EDAERN CN1CCO[C@@H](CN[C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000105933188 441319811 /nfs/dbraw/zinc/31/98/11/441319811.db2.gz CJWODJHBKTXDGS-ROUUACIJSA-N 0 0 331.460 1.660 10 0 EDAERN O=S(=O)(c1ccc(Cl)s1)N1CCN=C1N1CCOCC1 ZINC000064929773 441396864 /nfs/dbraw/zinc/39/68/64/441396864.db2.gz NKIRFXACEBHWIS-UHFFFAOYSA-N 0 0 335.838 1.094 10 0 EDAERN Cc1ccc(Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)cc1 ZINC000065237337 441408247 /nfs/dbraw/zinc/40/82/47/441408247.db2.gz KIPXCDRFPQMPDB-UHFFFAOYSA-N 0 0 348.424 1.226 10 0 EDAERN C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCO1 ZINC000027879998 441417091 /nfs/dbraw/zinc/41/70/91/441417091.db2.gz XAMVKEAQXQJPSJ-BBRMVZONSA-N 0 0 332.400 1.876 10 0 EDAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000084964314 441427471 /nfs/dbraw/zinc/42/74/71/441427471.db2.gz JYBJOCVXCYOHHC-LBPRGKRZSA-N 0 0 336.369 1.489 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000108997145 441483700 /nfs/dbraw/zinc/48/37/00/441483700.db2.gz LATJUEVFRPQBFH-SNVBAGLBSA-N 0 0 342.355 1.780 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000087563165 441493618 /nfs/dbraw/zinc/49/36/18/441493618.db2.gz MGBDAENIVNALIG-AWEZNQCLSA-N 0 0 341.415 1.673 10 0 EDAERN CCOCCN1CCN(c2ncc(C(N)=O)cc2Cl)C[C@@H]1CC ZINC000109320255 441495182 /nfs/dbraw/zinc/49/51/82/441495182.db2.gz YFUGBHXATJGZFL-ZDUSSCGKSA-N 0 0 340.855 1.771 10 0 EDAERN CCOCCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1C ZINC000109328871 441495758 /nfs/dbraw/zinc/49/57/58/441495758.db2.gz ZCEJSXXPIOCIRB-FUHWJXTLSA-N 0 0 331.460 1.835 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(C(=O)OC)CC1 ZINC000088754536 441518992 /nfs/dbraw/zinc/51/89/92/441518992.db2.gz VZCAEACOYOLORY-GFCCVEGCSA-N 0 0 335.408 1.270 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)NCc3cccc(C)n3)CC2)n1 ZINC000111834106 441541709 /nfs/dbraw/zinc/54/17/09/441541709.db2.gz XYBSVOKJVXXJMM-ZDUSSCGKSA-N 0 0 344.419 1.670 10 0 EDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000113892293 441626646 /nfs/dbraw/zinc/62/66/46/441626646.db2.gz PITBOTJOGAFMMW-CYBMUJFWSA-N 0 0 337.401 1.915 10 0 EDAERN CCCCOC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000114020118 441631195 /nfs/dbraw/zinc/63/11/95/441631195.db2.gz HTXXCWCJAROIFD-UHFFFAOYSA-N 0 0 343.424 1.592 10 0 EDAERN CCCc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)CCC)n(C)n1 ZINC000090819069 441644449 /nfs/dbraw/zinc/64/44/49/441644449.db2.gz BIZMYJHLHCTKFN-ZDUSSCGKSA-N 0 0 342.465 1.515 10 0 EDAERN C[C@@H](C(=O)NCCc1nccs1)N1C(=O)c2ccccc2C1=O ZINC000041539469 441658924 /nfs/dbraw/zinc/65/89/24/441658924.db2.gz AVOABAFTKUZWIZ-JTQLQIEISA-N 0 0 329.381 1.487 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)CC2 ZINC000114865352 441693155 /nfs/dbraw/zinc/69/31/55/441693155.db2.gz ZBFONDZFGIDJBA-RHSMWYFYSA-N 0 0 327.432 1.574 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1nc(C)cs1)CC2 ZINC000114955943 441704157 /nfs/dbraw/zinc/70/41/57/441704157.db2.gz LXNZPBRAGVCVSD-MNOVXSKESA-N 0 0 334.449 1.981 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](CO)c1ccccc1)CC2 ZINC000114975559 441706511 /nfs/dbraw/zinc/70/65/11/441706511.db2.gz JAQBCUWHDPZVKK-KBPBESRZSA-N 0 0 329.404 1.188 10 0 EDAERN COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000136647696 441711008 /nfs/dbraw/zinc/71/10/08/441711008.db2.gz FFWJCQKLYMKBSO-RYUDHWBXSA-N 0 0 340.332 1.695 10 0 EDAERN O=C(NCCCc1ccccc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121490263 441716436 /nfs/dbraw/zinc/71/64/36/441716436.db2.gz RUCXKYOLLBFIFV-YLJYHZDGSA-N 0 0 344.455 1.889 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000114587106 441668117 /nfs/dbraw/zinc/66/81/17/441668117.db2.gz NEZVCNQTXNKFCO-CZUORRHYSA-N 0 0 349.479 1.604 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1)[C@H]1CCCO1 ZINC000091194652 441672328 /nfs/dbraw/zinc/67/23/28/441672328.db2.gz MHHMCDAJVPSIMK-QGMLPEAUSA-N 0 0 342.392 1.185 10 0 EDAERN CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H](C)COCc1ccccc1 ZINC000173338160 441717291 /nfs/dbraw/zinc/71/72/91/441717291.db2.gz YTKHMURMDMPOKD-ZBFHGGJFSA-N 0 0 333.432 1.758 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1ccc(Br)cc1 ZINC000091779444 441740944 /nfs/dbraw/zinc/74/09/44/441740944.db2.gz AVMKONWFZXZJJP-LBPRGKRZSA-N 0 0 341.205 1.094 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc(C)nc2)ncn1 ZINC000173426836 441745521 /nfs/dbraw/zinc/74/55/21/441745521.db2.gz HPAOAEIVOOEUFF-OAHLLOKOSA-N 0 0 340.431 1.549 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CCCn1ccnc1 ZINC000121728674 441766726 /nfs/dbraw/zinc/76/67/26/441766726.db2.gz FRZSOCDFXKZMQZ-CYBMUJFWSA-N 0 0 331.424 1.604 10 0 EDAERN COc1ccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)cc1 ZINC000136836848 441728078 /nfs/dbraw/zinc/72/80/78/441728078.db2.gz SDBQVCDXCVITFG-UHFFFAOYSA-N 0 0 339.351 1.647 10 0 EDAERN Cc1nc(SCC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n[nH]1 ZINC000136869934 441729436 /nfs/dbraw/zinc/72/94/36/441729436.db2.gz YKLFVIOIKUEQAA-SNVBAGLBSA-N 0 0 335.437 1.051 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc4n[nH]cc4c3)C2)cn1 ZINC000173383206 441730138 /nfs/dbraw/zinc/73/01/38/441730138.db2.gz WWFGMBVJQJXNQW-LLVKDONJSA-N 0 0 338.371 1.251 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)N[C@@H](C)CCCC(C)C)CCO2)[nH]1 ZINC000173662362 441818279 /nfs/dbraw/zinc/81/82/79/441818279.db2.gz PSGMDNOWSABZTJ-ZFWWWQNUSA-N 0 0 337.468 1.817 10 0 EDAERN CCc1ccccc1OCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173523630 441776556 /nfs/dbraw/zinc/77/65/56/441776556.db2.gz PDWSDVUJLATJQO-OAHLLOKOSA-N 0 0 330.388 1.654 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCc3cc(F)ccc3F)CCO2)[nH]1 ZINC000173526509 441778267 /nfs/dbraw/zinc/77/82/67/441778267.db2.gz DXNABFHQZMHCAQ-AWEZNQCLSA-N 0 0 336.342 1.924 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C[C@H]3c4ccccc4NC3=O)CCO2)[nH]1 ZINC000173529869 441779889 /nfs/dbraw/zinc/77/98/89/441779889.db2.gz NUFXSGDJYQKHNN-GXTWGEPZSA-N 0 0 341.371 1.139 10 0 EDAERN COc1ccc([C@@H](CCO)NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000121786314 441780204 /nfs/dbraw/zinc/78/02/04/441780204.db2.gz VCNILXOUJVHNNB-DZGCQCFKSA-N 0 0 345.403 1.024 10 0 EDAERN CCc1cc(NC(=O)C(=O)N[C@@H](C)COCc2ccccc2)n(C)n1 ZINC000173533895 441782131 /nfs/dbraw/zinc/78/21/31/441782131.db2.gz FBOQLQVCOUSQDQ-ZDUSSCGKSA-N 0 0 344.415 1.643 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)[nH]1 ZINC000173542273 441785370 /nfs/dbraw/zinc/78/53/70/441785370.db2.gz SXIWWRNTSMUVFA-AWEZNQCLSA-N 0 0 327.344 1.397 10 0 EDAERN COc1ccc(F)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000092318426 441791103 /nfs/dbraw/zinc/79/11/03/441791103.db2.gz WBQOBRCYVNTPLQ-CYBMUJFWSA-N 0 0 335.379 1.470 10 0 EDAERN CCn1cc(C2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)cn1 ZINC000159149273 441792011 /nfs/dbraw/zinc/79/20/11/441792011.db2.gz VOJFIWRLPBSKCB-INIZCTEOSA-N 0 0 335.452 1.123 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)Cn3c(=O)cnc4ccccc43)C2)cn1 ZINC000116114347 441793669 /nfs/dbraw/zinc/79/36/69/441793669.db2.gz CJEGZMDXLDQZPG-CYBMUJFWSA-N 0 0 337.383 1.146 10 0 EDAERN CCOC(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116122801 441794937 /nfs/dbraw/zinc/79/49/37/441794937.db2.gz XAXSVVFSRYQLHI-KBPBESRZSA-N 0 0 334.420 1.605 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(C(N)=O)cn3)C2)n1 ZINC000173586687 441800028 /nfs/dbraw/zinc/80/00/28/441800028.db2.gz MLAFAALPKHIPEI-LBPRGKRZSA-N 0 0 330.413 1.965 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)NCCOc3ccccc3)C2)cn1 ZINC000116323942 441813650 /nfs/dbraw/zinc/81/36/50/441813650.db2.gz FGUAJONCRGHSRY-OAHLLOKOSA-N 0 0 328.416 1.405 10 0 EDAERN O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1ccccc1Cl ZINC000173927333 441863278 /nfs/dbraw/zinc/86/32/78/441863278.db2.gz MKHYIDSOVFAIAX-WMLDXEAASA-N 0 0 349.862 1.852 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1CCOC ZINC000117309270 441868453 /nfs/dbraw/zinc/86/84/53/441868453.db2.gz HDCUGTRBNUETEB-HNNXBMFYSA-N 0 0 344.415 1.919 10 0 EDAERN COc1ccccc1CN(C)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173955135 441869057 /nfs/dbraw/zinc/86/90/57/441869057.db2.gz XGSZGRGAJUPYJR-QGZVFWFLSA-N 0 0 347.459 1.060 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)C[C@@H]1C ZINC000117398194 441872851 /nfs/dbraw/zinc/87/28/51/441872851.db2.gz QHNOLLTXDHIYRO-HNNXBMFYSA-N 0 0 347.463 1.866 10 0 EDAERN COCCN1CCN(C(=O)NCCCOCC(F)(F)F)C[C@H]1C ZINC000117477971 441873860 /nfs/dbraw/zinc/87/38/60/441873860.db2.gz SOZIBAJHCLXUEL-GFCCVEGCSA-N 0 0 341.374 1.318 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1C ZINC000173822486 441845466 /nfs/dbraw/zinc/84/54/66/441845466.db2.gz IMDYJYQRPJZAEQ-DZGCQCFKSA-N 0 0 332.400 1.584 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000173818498 441845802 /nfs/dbraw/zinc/84/58/02/441845802.db2.gz FXOUUJAXJMBYRS-YGRLFVJLSA-N 0 0 328.334 1.897 10 0 EDAERN Cc1cccc(O[C@H](C)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173860560 441851025 /nfs/dbraw/zinc/85/10/25/441851025.db2.gz MOTJVIPJULZCSI-JFIYKMOQSA-N 0 0 332.444 1.941 10 0 EDAERN C[C@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@@H]1N1CCOCC1 ZINC000173864739 441853245 /nfs/dbraw/zinc/85/32/45/441853245.db2.gz MGDNIJIVYNQKGE-HOCLYGCPSA-N 0 0 343.431 1.004 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C)C[C@H]1C ZINC000117522128 441874409 /nfs/dbraw/zinc/87/44/09/441874409.db2.gz OHBWZXSERKFQOO-CYBMUJFWSA-N 0 0 337.395 1.252 10 0 EDAERN COc1c(CN(C)[C@H]2CCN(c3ccccc3)C2=O)c(C)nn1C ZINC000093104592 441856918 /nfs/dbraw/zinc/85/69/18/441856918.db2.gz JKXRXFBXVJHZPR-INIZCTEOSA-N 0 0 328.416 1.974 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000118751877 441903351 /nfs/dbraw/zinc/90/33/51/441903351.db2.gz YYRRESTZKQJBBA-QGZVFWFLSA-N 0 0 334.464 1.669 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CC[C@@H](N2CCOCC2)C1)C(C)C ZINC000174334758 441914339 /nfs/dbraw/zinc/91/43/39/441914339.db2.gz QYAAFXSZDWBKEG-CVEARBPZSA-N 0 0 327.469 1.554 10 0 EDAERN C[C@@H](CCc1cccn1C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000174435266 441924415 /nfs/dbraw/zinc/92/44/15/441924415.db2.gz TVONUNGAZASPBO-YOEHRIQHSA-N 0 0 342.443 1.742 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000173989844 441875288 /nfs/dbraw/zinc/87/52/88/441875288.db2.gz FJCUTBUXGOASOC-KRWDZBQOSA-N 0 0 347.459 1.108 10 0 EDAERN CCc1nnc(CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)n1C ZINC000174019769 441879188 /nfs/dbraw/zinc/87/91/88/441879188.db2.gz OMYAIXPKYXZWFZ-LBPRGKRZSA-N 0 0 330.363 1.634 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NC3CCCCC3)C2=O)n(C)n1 ZINC000174034276 441880512 /nfs/dbraw/zinc/88/05/12/441880512.db2.gz LTVGNWPWAAYGFA-CQSZACIVSA-N 0 0 333.436 1.856 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)c1 ZINC000117817667 441880453 /nfs/dbraw/zinc/88/04/53/441880453.db2.gz YLOPCCINMFJCGD-CYBMUJFWSA-N 0 0 340.383 1.301 10 0 EDAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123309683 441882985 /nfs/dbraw/zinc/88/29/85/441882985.db2.gz KAFBDQGUJZSWHG-BDJLRTHQSA-N 0 0 337.807 1.827 10 0 EDAERN COc1cc(NC(=O)NCCn2cc(C)cn2)ccc1NC(C)=O ZINC000118012679 441883247 /nfs/dbraw/zinc/88/32/47/441883247.db2.gz WIRXQFHWZCABKY-UHFFFAOYSA-N 0 0 331.376 1.980 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(N3CCOC3=O)cc2)c1 ZINC000118014860 441883532 /nfs/dbraw/zinc/88/35/32/441883532.db2.gz RRVOPAMUHJVCEY-UHFFFAOYSA-N 0 0 329.360 1.970 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@H](C)N2CCc3sccc3C2)c1 ZINC000118061859 441884928 /nfs/dbraw/zinc/88/49/28/441884928.db2.gz BSKASXLRXGPYSR-AWEZNQCLSA-N 0 0 347.488 1.999 10 0 EDAERN Cc1cnn(CCNC(=O)N(CCC(N)=O)Cc2ccccc2)c1 ZINC000118056392 441885099 /nfs/dbraw/zinc/88/50/99/441885099.db2.gz OODKEMNVDVENKN-UHFFFAOYSA-N 0 0 329.404 1.279 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000118115240 441890068 /nfs/dbraw/zinc/89/00/68/441890068.db2.gz WFRUBEYQSFYAIR-SNVBAGLBSA-N 0 0 345.321 1.091 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Cl)cc1F ZINC000119342702 441929144 /nfs/dbraw/zinc/92/91/44/441929144.db2.gz KYAHFTCJWJXXIL-LLVKDONJSA-N 0 0 331.775 1.294 10 0 EDAERN Cc1cc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)n2ncnc2n1 ZINC000078518549 441940822 /nfs/dbraw/zinc/94/08/22/441940822.db2.gz MUTAUHIVMJFPAY-JTQLQIEISA-N 0 0 342.325 1.328 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)COc3ccccc3)C2=O)n(C)n1 ZINC000175000910 441993057 /nfs/dbraw/zinc/99/30/57/441993057.db2.gz CWGFNNUMIVXKMM-HNNXBMFYSA-N 0 0 342.399 1.419 10 0 EDAERN CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000120082675 442004471 /nfs/dbraw/zinc/00/44/71/442004471.db2.gz ASEJAQUPVOBTAQ-HIFRSBDPSA-N 0 0 346.431 1.523 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@H](C)N1CCSCC1)c1ccccc1 ZINC000151267668 442033576 /nfs/dbraw/zinc/03/35/76/442033576.db2.gz XSKUCALNNWLJIN-ZFWWWQNUSA-N 0 0 336.457 1.844 10 0 EDAERN O=C(CCOC1CCOCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000175398254 442055835 /nfs/dbraw/zinc/05/58/35/442055835.db2.gz GRVWSQITTAAJTD-CYBMUJFWSA-N 0 0 326.418 1.629 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000175430422 442062661 /nfs/dbraw/zinc/06/26/61/442062661.db2.gz WWHPPRVVFVGKKD-MRXNPFEDSA-N 0 0 344.390 1.752 10 0 EDAERN CC(C)Cn1ccnc1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000175478687 442071067 /nfs/dbraw/zinc/07/10/67/442071067.db2.gz MBJSISIFVYGVPW-AWEZNQCLSA-N 0 0 331.424 1.677 10 0 EDAERN COCCOc1cccc(CC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000126195038 442087241 /nfs/dbraw/zinc/08/72/41/442087241.db2.gz UUOXFUXFOUBBRQ-INIZCTEOSA-N 0 0 344.415 1.806 10 0 EDAERN C[C@H]1CC[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)c2ccccc21 ZINC000162766919 442120998 /nfs/dbraw/zinc/12/09/98/442120998.db2.gz PNHNHHZORGTAQS-XHDPSFHLSA-N 0 0 348.428 1.285 10 0 EDAERN CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)C[C@H](O)C(C)C)cc1 ZINC000162854987 442126744 /nfs/dbraw/zinc/12/67/44/442126744.db2.gz LVNAZVRPTSHRLW-HOCLYGCPSA-N 0 0 336.432 1.462 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)co1 ZINC000151832570 442127393 /nfs/dbraw/zinc/12/73/93/442127393.db2.gz JFHVEPLWYKHVJF-LBPRGKRZSA-N 0 0 338.389 1.278 10 0 EDAERN CCCCN(C)C(=O)CS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000126645474 442130393 /nfs/dbraw/zinc/13/03/93/442130393.db2.gz FKWRPCQGNBNWDT-UHFFFAOYSA-N 0 0 330.454 1.112 10 0 EDAERN Cc1ccn2c(c1)nc(O)c(C(=O)NCc1ccc(F)cc1)c2=O ZINC000164576803 442199284 /nfs/dbraw/zinc/19/92/84/442199284.db2.gz RZVXTDHWXDWBSQ-UHFFFAOYSA-N 0 0 327.315 1.778 10 0 EDAERN O=C(COCCOc1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127452098 442203829 /nfs/dbraw/zinc/20/38/29/442203829.db2.gz FQJXFRGZVIDDFJ-MRXNPFEDSA-N 0 0 344.415 1.612 10 0 EDAERN C[C@@H](CCc1cccn1C)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000176026539 442162564 /nfs/dbraw/zinc/16/25/64/442162564.db2.gz QBNRYGPYASAINK-RDJZCZTQSA-N 0 0 345.447 1.653 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)NCCNC(=O)C2CC2)C12CCCC2 ZINC000152981747 442254082 /nfs/dbraw/zinc/25/40/82/442254082.db2.gz AORSMVWIIMRBKY-GJZGRUSLSA-N 0 0 337.464 1.892 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccnn1C(C)C ZINC000152450449 442214501 /nfs/dbraw/zinc/21/45/01/442214501.db2.gz NBOGNRAXPIOIPT-LLVKDONJSA-N 0 0 333.396 1.859 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2nc(C)sc2C)C[C@H]1C ZINC000152469025 442216752 /nfs/dbraw/zinc/21/67/52/442216752.db2.gz ZWWHDUQOVDMFME-GFCCVEGCSA-N 0 0 325.478 1.872 10 0 EDAERN CCO[C@@H](C)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000176574191 442236308 /nfs/dbraw/zinc/23/63/08/442236308.db2.gz WIFPJGKLKAJHDV-UONOGXRCSA-N 0 0 326.462 1.971 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)C3(O)CCCCC3)CC2)cn1 ZINC000128145287 442248252 /nfs/dbraw/zinc/24/82/52/442248252.db2.gz NUEMIPXDHYGRLZ-UHFFFAOYSA-N 0 0 334.464 1.633 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N(C)CCNC(=O)C(C)C)C(C)C ZINC000128413430 442265189 /nfs/dbraw/zinc/26/51/89/442265189.db2.gz RXPALCADCJLFAA-OAHLLOKOSA-N 0 0 327.469 1.404 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1COc2ccccc2C1)c1nnc2n1CCCC2 ZINC000153185954 442265874 /nfs/dbraw/zinc/26/58/74/442265874.db2.gz ZUBLNXVZFKKLBS-TZMCWYRMSA-N 0 0 341.415 1.978 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1COc2ccccc2C1)c1nnc2n1CCCC2 ZINC000153186175 442266251 /nfs/dbraw/zinc/26/62/51/442266251.db2.gz ZUBLNXVZFKKLBS-OCCSQVGLSA-N 0 0 341.415 1.978 10 0 EDAERN CC(C)n1ccnc1C[S@](=O)[C@H](C)C(=O)NCC(F)(F)F ZINC000176885617 442267196 /nfs/dbraw/zinc/26/71/96/442267196.db2.gz KUJZPCQCHNDLPC-BTKVJGODSA-N 0 0 325.356 1.780 10 0 EDAERN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)c2)n1 ZINC000170823986 442269440 /nfs/dbraw/zinc/26/94/40/442269440.db2.gz BXRDVTAWHKZKOA-YGRLFVJLSA-N 0 0 340.383 1.462 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(F)c2)C1 ZINC000153274602 442272365 /nfs/dbraw/zinc/27/23/65/442272365.db2.gz GKOJGERJCCUDCT-CQSZACIVSA-N 0 0 349.406 1.980 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1nnc2n1CCCC2 ZINC000153310531 442274161 /nfs/dbraw/zinc/27/41/61/442274161.db2.gz RVBKEAAIPBUMKY-SMDDNHRTSA-N 0 0 347.394 1.847 10 0 EDAERN C[C@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C(=O)N1CCCCC1 ZINC000153407982 442280531 /nfs/dbraw/zinc/28/05/31/442280531.db2.gz SZLPTZYLASUKFF-UONOGXRCSA-N 0 0 333.436 1.320 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1OCC(F)F)[C@@H]1CCCO1 ZINC000153403763 442280826 /nfs/dbraw/zinc/28/08/26/442280826.db2.gz XMNPOCVCNKWNHP-PWSUYJOCSA-N 0 0 342.342 1.953 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)CCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000176989777 442281169 /nfs/dbraw/zinc/28/11/69/442281169.db2.gz NKWNFZIETDFFSG-WBVHZDCISA-N 0 0 338.473 1.211 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)N2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000170880984 442282418 /nfs/dbraw/zinc/28/24/18/442282418.db2.gz OEQLTIXJWDPDMV-HNNXBMFYSA-N 0 0 349.435 1.888 10 0 EDAERN COC(=O)Cn1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2C)n1 ZINC000177045892 442289849 /nfs/dbraw/zinc/28/98/49/442289849.db2.gz DBAVSTHKBGCAIV-ZDUSSCGKSA-N 0 0 346.391 1.258 10 0 EDAERN CN1CCO[C@@H](CNC(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000170758422 442258655 /nfs/dbraw/zinc/25/86/55/442258655.db2.gz MSCDIXXUWRIIPF-ZDUSSCGKSA-N 0 0 346.349 1.965 10 0 EDAERN CCc1c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cnn1CC(C)C ZINC000154071907 442319957 /nfs/dbraw/zinc/31/99/57/442319957.db2.gz SFIUJDKKDXXPCP-CRAIPNDOSA-N 0 0 348.491 1.894 10 0 EDAERN O=C(NCCc1ccc2c(c1)CCO2)N[C@@H]1CCCn2ncnc21 ZINC000177330009 442328894 /nfs/dbraw/zinc/32/88/94/442328894.db2.gz LBVAMXUXYXQJPR-CQSZACIVSA-N 0 0 327.388 1.590 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)no1 ZINC000171240669 442332805 /nfs/dbraw/zinc/33/28/05/442332805.db2.gz JFXFZLCORIXXPG-AWEZNQCLSA-N 0 0 331.420 1.752 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CCNC(=O)C(C)(C)C)C2)no1 ZINC000171244792 442333251 /nfs/dbraw/zinc/33/32/51/442333251.db2.gz UPROXWNKCWGCNA-CYBMUJFWSA-N 0 0 336.436 1.712 10 0 EDAERN CCC[C@H](O)CNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000154536976 442344853 /nfs/dbraw/zinc/34/48/53/442344853.db2.gz HEZJFINPCVSZPR-XJKSGUPXSA-N 0 0 336.432 1.727 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](CCC(N)=O)C1)C(C)C ZINC000171427476 442347484 /nfs/dbraw/zinc/34/74/84/442347484.db2.gz QPZMYCSTZMABHB-PBHICJAKSA-N 0 0 339.480 1.677 10 0 EDAERN O=C(c1nn(-c2ccccc2F)cc1[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171471300 442351306 /nfs/dbraw/zinc/35/13/06/442351306.db2.gz JARVSMCSVIBYSE-LBPRGKRZSA-N 0 0 330.363 1.637 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(F)c(F)c3F)CCO2)[nH]1 ZINC000177236482 442317797 /nfs/dbraw/zinc/31/77/97/442317797.db2.gz LDWITEYYWNCAEB-JTQLQIEISA-N 0 0 326.278 1.744 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000177635052 442364777 /nfs/dbraw/zinc/36/47/77/442364777.db2.gz QYAXIFALGFVIJO-LLVKDONJSA-N 0 0 333.779 1.310 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000177636822 442365289 /nfs/dbraw/zinc/36/52/89/442365289.db2.gz VUBRQJPFZMUBCO-JTQLQIEISA-N 0 0 349.341 1.188 10 0 EDAERN CCNC(=O)CCCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171670095 442368336 /nfs/dbraw/zinc/36/83/36/442368336.db2.gz QNHYYWAFTYTOEZ-GFCCVEGCSA-N 0 0 340.445 1.574 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000171706673 442372275 /nfs/dbraw/zinc/37/22/75/442372275.db2.gz NQYPCVUFCHDDQK-CYBMUJFWSA-N 0 0 332.404 1.266 10 0 EDAERN COc1ccc(C[C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000171748065 442376400 /nfs/dbraw/zinc/37/64/00/442376400.db2.gz JIEJQOPOBFJRLP-ZFWWWQNUSA-N 0 0 335.448 1.980 10 0 EDAERN O=S(=O)(CCc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171778597 442380553 /nfs/dbraw/zinc/38/05/53/442380553.db2.gz WPVXAGLZPFRLPF-MRXNPFEDSA-N 0 0 335.429 1.156 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000155402456 442395441 /nfs/dbraw/zinc/39/54/41/442395441.db2.gz PQPUZOVPIHWFTL-YGRLFVJLSA-N 0 0 346.456 1.670 10 0 EDAERN C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)COCc1ccccc1 ZINC000177963833 442397941 /nfs/dbraw/zinc/39/79/41/442397941.db2.gz UEDLYCJEXDBANL-ZIAGYGMSSA-N 0 0 342.461 1.714 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)O1 ZINC000178032016 442402946 /nfs/dbraw/zinc/40/29/46/442402946.db2.gz OCLWUCYPGIOGDI-GXFFZTMASA-N 0 0 346.836 1.302 10 0 EDAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC(=O)NC1CCCC1 ZINC000178034898 442403297 /nfs/dbraw/zinc/40/32/97/442403297.db2.gz BJBJOEMXHJMHME-OAHLLOKOSA-N 0 0 332.404 1.303 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cccc(C(=O)NC)c1 ZINC000177541562 442355520 /nfs/dbraw/zinc/35/55/20/442355520.db2.gz GJSHQHHPTVQIFW-QGZVFWFLSA-N 0 0 346.475 1.714 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000154828642 442359199 /nfs/dbraw/zinc/35/91/99/442359199.db2.gz VDEGMXSPUTZERG-CQSZACIVSA-N 0 0 345.451 1.680 10 0 EDAERN Brc1cncc(CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000171607094 442361600 /nfs/dbraw/zinc/36/16/00/442361600.db2.gz IDHPXXSVZGNQEI-CQSZACIVSA-N 0 0 337.221 1.942 10 0 EDAERN C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1F)c1nnc2n1CCCC2 ZINC000178130729 442410103 /nfs/dbraw/zinc/41/01/03/442410103.db2.gz OXZJLUCQHWVMOA-VIFPVBQESA-N 0 0 346.366 1.735 10 0 EDAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000172122707 442410972 /nfs/dbraw/zinc/41/09/72/442410972.db2.gz PHJRKSQSWLKQHB-OAHLLOKOSA-N 0 0 348.428 1.733 10 0 EDAERN CCOCCN1CCN(C(=O)Cn2c(C)nc3ccccc32)C[C@H]1C ZINC000172220293 442425334 /nfs/dbraw/zinc/42/53/34/442425334.db2.gz FPMVNENFHDIYAS-OAHLLOKOSA-N 0 0 344.459 1.914 10 0 EDAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CCS1 ZINC000178369465 442427802 /nfs/dbraw/zinc/42/78/02/442427802.db2.gz XNPCNDLEQQHFPR-JTQLQIEISA-N 0 0 326.443 1.986 10 0 EDAERN CNC(=O)[C@H](NC(=O)N(C)Cc1ccc([S@](C)=O)cc1)C(C)C ZINC000178403464 442430606 /nfs/dbraw/zinc/43/06/06/442430606.db2.gz CXZKQHNLWPYPTE-FATZIPQQSA-N 0 0 339.461 1.336 10 0 EDAERN CC(=O)NC[C@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CCO1 ZINC000172266204 442433000 /nfs/dbraw/zinc/43/30/00/442433000.db2.gz GBPVEHDXVMQXCT-MFKMUULPSA-N 0 0 341.358 1.572 10 0 EDAERN CCN(C(=O)[C@H](C)N1CCC([N@H+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000191735869 442501620 /nfs/dbraw/zinc/50/16/20/442501620.db2.gz NDGQWZWAMUPJDM-HNNXBMFYSA-N 0 0 347.459 1.909 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H](C)NC(=O)c3ccoc3)CCO2)cn1 ZINC000191786040 442510823 /nfs/dbraw/zinc/51/08/23/442510823.db2.gz LSIMXZGZPZGAPI-SWLSCSKDSA-N 0 0 346.387 1.214 10 0 EDAERN COC(=O)N1CC(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000178710397 442460224 /nfs/dbraw/zinc/46/02/24/442460224.db2.gz FPLJIVKBSWPLPO-GFCCVEGCSA-N 0 0 345.321 1.910 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000179477372 442463905 /nfs/dbraw/zinc/46/39/05/442463905.db2.gz BQOULTLZYJOYGY-IUDNXUCKSA-N 0 0 346.427 1.787 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)COc3c(C)nn(C)c3C)CCO2)cn1 ZINC000191778001 442508980 /nfs/dbraw/zinc/50/89/80/442508980.db2.gz CBTLSDZPWUWJPD-OAHLLOKOSA-N 0 0 347.419 1.232 10 0 EDAERN O=C(/C=C/c1cncc(O)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000179504635 442469425 /nfs/dbraw/zinc/46/94/25/442469425.db2.gz KPTZIDBHTSJODO-GJBLVYBDSA-N 0 0 325.372 1.376 10 0 EDAERN CS(=O)(=O)CCCCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000186311000 442509271 /nfs/dbraw/zinc/50/92/71/442509271.db2.gz FUZDJGSYYBWURD-HOCLYGCPSA-N 0 0 346.493 1.538 10 0 EDAERN COc1cc(C)ccc1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000134458395 442485414 /nfs/dbraw/zinc/48/54/14/442485414.db2.gz FVFNAZROKXBPND-INIZCTEOSA-N 0 0 341.411 1.899 10 0 EDAERN CC(C)c1noc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1 ZINC000172756842 442536150 /nfs/dbraw/zinc/53/61/50/442536150.db2.gz GFWBLTZDABFVIP-HNNXBMFYSA-N 0 0 346.431 1.755 10 0 EDAERN O=C(CCCOc1cccc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172767812 442538574 /nfs/dbraw/zinc/53/85/74/442538574.db2.gz HOBKSZNKICDYPL-INIZCTEOSA-N 0 0 336.407 1.918 10 0 EDAERN O=C(c1cc2c(c(Cl)c1)OCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000172765862 442538975 /nfs/dbraw/zinc/53/89/75/442538975.db2.gz WQKGCRRDLUTZHT-LBPRGKRZSA-N 0 0 338.791 1.615 10 0 EDAERN O=C(c1coc(-c2ccccc2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172769300 442540293 /nfs/dbraw/zinc/54/02/93/442540293.db2.gz DAXOACRDDBIXHD-OAHLLOKOSA-N 0 0 327.384 1.888 10 0 EDAERN COCCC1(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000178970295 442541844 /nfs/dbraw/zinc/54/18/44/442541844.db2.gz OWZZOFOQQBYOPA-ZDUSSCGKSA-N 0 0 334.420 1.157 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCOCC1CC1 ZINC000134683949 442511192 /nfs/dbraw/zinc/51/11/92/442511192.db2.gz KISCEZOUPLTJRB-ZDUSSCGKSA-N 0 0 337.424 1.375 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3c(C)nn(C)c3Cl)CCO2)cn1 ZINC000191796230 442512475 /nfs/dbraw/zinc/51/24/75/442512475.db2.gz WDVRQLRSVJGSSA-LBPRGKRZSA-N 0 0 337.811 1.812 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000180196366 442557462 /nfs/dbraw/zinc/55/74/62/442557462.db2.gz UIRRLPATTOHSGE-GXFFZTMASA-N 0 0 344.371 1.128 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](CC)CSC)CCO2)[nH]1 ZINC000179976302 442525387 /nfs/dbraw/zinc/52/53/87/442525387.db2.gz OGPUEQKKSVACID-QWRGUYRKSA-N 0 0 327.454 1.592 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cn1 ZINC000178922268 442526622 /nfs/dbraw/zinc/52/66/22/442526622.db2.gz JTBXXLTYXIJUHF-CYBMUJFWSA-N 0 0 326.356 1.618 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000172952119 442571710 /nfs/dbraw/zinc/57/17/10/442571710.db2.gz MRUKUPXKBCFJGD-AWEZNQCLSA-N 0 0 337.383 1.997 10 0 EDAERN Cc1noc2ncc(C(=O)N[C@@H](C)c3nnc4n3CCCC4)cc12 ZINC000135269811 442573766 /nfs/dbraw/zinc/57/37/66/442573766.db2.gz YEXIJQARGPGASC-JTQLQIEISA-N 0 0 326.360 1.950 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnns1)c1cccc(-n2ccnc2)c1 ZINC000192035880 442575929 /nfs/dbraw/zinc/57/59/29/442575929.db2.gz BRAGSZWUFCWENZ-SNVBAGLBSA-N 0 0 342.384 1.540 10 0 EDAERN NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CCOc2ccccc21 ZINC000179122955 442577047 /nfs/dbraw/zinc/57/70/47/442577047.db2.gz HHFRJOLZDHTDNT-LBPRGKRZSA-N 0 0 337.339 1.082 10 0 EDAERN COCCN1CCN(C(=O)/C=C/c2ccc(OC)c(O)c2)C[C@H]1C ZINC000186631429 442578142 /nfs/dbraw/zinc/57/81/42/442578142.db2.gz INYCMTIBKLBKQQ-HZRUHFOJSA-N 0 0 334.416 1.593 10 0 EDAERN Cc1ccc(OCCCNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000186748490 442605225 /nfs/dbraw/zinc/60/52/25/442605225.db2.gz RPZFJXHTEZCPPU-UHFFFAOYSA-N 0 0 331.416 1.684 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(C)cc3F)CCO2)[nH]1 ZINC000180223673 442561738 /nfs/dbraw/zinc/56/17/38/442561738.db2.gz RBPWRHMOGUDRTL-CYBMUJFWSA-N 0 0 347.350 1.099 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCOC2)N2CCOCC2)s1 ZINC000179072683 442565639 /nfs/dbraw/zinc/56/56/39/442565639.db2.gz JEYOIFVIAINFAD-ZIAGYGMSSA-N 0 0 339.461 1.518 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1C ZINC000180615167 442635277 /nfs/dbraw/zinc/63/52/77/442635277.db2.gz CVGOKTWLMVDRJT-LSDHHAIUSA-N 0 0 347.459 1.409 10 0 EDAERN CCc1ncc(NC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)cn1 ZINC000192349812 442638182 /nfs/dbraw/zinc/63/81/82/442638182.db2.gz ZUJRHVKKYTVOCW-CQSZACIVSA-N 0 0 330.392 1.861 10 0 EDAERN O=C(c1cccnc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000135908079 442640593 /nfs/dbraw/zinc/64/05/93/442640593.db2.gz NEMAYPBVTBQHOO-NSHDSACASA-N 0 0 340.221 1.391 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCNC(=O)N(C)C ZINC000180641946 442640785 /nfs/dbraw/zinc/64/07/85/442640785.db2.gz ZNIKZPOJGLNHIG-HIFRSBDPSA-N 0 0 348.447 1.219 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1F ZINC000180581989 442626344 /nfs/dbraw/zinc/62/63/44/442626344.db2.gz ZELLCKBEWPMWIY-GFCCVEGCSA-N 0 0 330.363 1.822 10 0 EDAERN COC(=O)N1CCC([C@H](C)NC(=O)NCCn2cc(C)cn2)CC1 ZINC000186906122 442628246 /nfs/dbraw/zinc/62/82/46/442628246.db2.gz VVVCXDLOLBMMQG-ZDUSSCGKSA-N 0 0 337.424 1.358 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)C(C)C ZINC000181159270 442682200 /nfs/dbraw/zinc/68/22/00/442682200.db2.gz PYFLLUPJIIIYEW-CQSZACIVSA-N 0 0 330.392 1.219 10 0 EDAERN CNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000181370829 442692962 /nfs/dbraw/zinc/69/29/62/442692962.db2.gz PHRDKWMGLQCOCM-CYBMUJFWSA-N 0 0 349.416 1.080 10 0 EDAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCN2CCC[C@@H]2C1 ZINC000192917963 442697623 /nfs/dbraw/zinc/69/76/23/442697623.db2.gz VWEUNEYBOGKPOB-MRVPVSSYSA-N 0 0 338.326 1.712 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(=O)[nH]c(C(C)C)c3)CCO2)[nH]1 ZINC000181471259 442699133 /nfs/dbraw/zinc/69/91/33/442699133.db2.gz AWGCJUFXBITMJE-ZDUSSCGKSA-N 0 0 345.403 1.805 10 0 EDAERN COCc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)ncn1 ZINC000180994142 442673649 /nfs/dbraw/zinc/67/36/49/442673649.db2.gz SJIQWXLTTLNELL-CQSZACIVSA-N 0 0 330.392 1.824 10 0 EDAERN C[C@H](NC(=O)NCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000193161530 442718520 /nfs/dbraw/zinc/71/85/20/442718520.db2.gz RKNIWQYUTCWVEL-ZETCQYMHSA-N 0 0 340.232 1.642 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2cccc(Cl)c2)C1 ZINC000188187102 442722140 /nfs/dbraw/zinc/72/21/40/442722140.db2.gz LLTVOSLAEOOIIE-SNVBAGLBSA-N 0 0 325.796 1.557 10 0 EDAERN O=C(NC1CN(C(=O)c2cnc(-c3ncccn3)s2)C1)C1CCC1 ZINC000188494408 442756343 /nfs/dbraw/zinc/75/63/43/442756343.db2.gz GMRNOIRIAPGZIS-UHFFFAOYSA-N 0 0 343.412 1.341 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000193370149 442736507 /nfs/dbraw/zinc/73/65/07/442736507.db2.gz WGCBIGVMHDWWFG-KRWDZBQOSA-N 0 0 338.423 1.761 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(c2nc(CC)ns2)CC1 ZINC000193383005 442737858 /nfs/dbraw/zinc/73/78/58/442737858.db2.gz ZKMSFTMTRQTZOS-ZDUSSCGKSA-N 0 0 328.482 1.400 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc32)C1 ZINC000193538879 442752050 /nfs/dbraw/zinc/75/20/50/442752050.db2.gz JMQYZIHTHRVWOC-QGZVFWFLSA-N 0 0 344.459 1.749 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(Br)n2)C1)C1CCC1 ZINC000188485646 442755543 /nfs/dbraw/zinc/75/55/43/442755543.db2.gz ZKQQYHMFBLVKGC-UHFFFAOYSA-N 0 0 338.205 1.585 10 0 EDAERN COc1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)nc1Br ZINC000188087986 442709885 /nfs/dbraw/zinc/70/98/85/442709885.db2.gz MKRFOPJFYMOJEL-QMMMGPOBSA-N 0 0 342.193 1.203 10 0 EDAERN CC(C)c1csc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)n1 ZINC000193091053 442711794 /nfs/dbraw/zinc/71/17/94/442711794.db2.gz BIKFDWLRFSZZDW-MNOVXSKESA-N 0 0 325.434 1.872 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCCn3ncnc32)nc(C(F)(F)F)n1 ZINC000188490633 442755876 /nfs/dbraw/zinc/75/58/76/442755876.db2.gz PSDXDDVPLDNSLI-QMMMGPOBSA-N 0 0 326.282 1.660 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1cccs1)CC2 ZINC000181724346 442713077 /nfs/dbraw/zinc/71/30/77/442713077.db2.gz YWBIJVVVLSZNIQ-SNVBAGLBSA-N 0 0 326.447 1.756 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C[C@@H]1CCOC1)C1CC1)CC2 ZINC000181734882 442713135 /nfs/dbraw/zinc/71/31/35/442713135.db2.gz FSJMVXPTYYXLMK-KBPBESRZSA-N 0 0 347.463 1.927 10 0 EDAERN CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182392347 442762743 /nfs/dbraw/zinc/76/27/43/442762743.db2.gz VSGTZRCLZXOOJG-LLVKDONJSA-N 0 0 344.481 1.547 10 0 EDAERN C[C@H]1CN(C(=O)c2ccoc2Br)C[C@H]1N1CCOCC1 ZINC000193646780 442763509 /nfs/dbraw/zinc/76/35/09/442763509.db2.gz JCYOYTDYJJPTMW-CMPLNLGQSA-N 0 0 343.221 1.835 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCCc3ccc(F)cc32)C1 ZINC000193666749 442765649 /nfs/dbraw/zinc/76/56/49/442765649.db2.gz SXDGQDJISHJILJ-OAHLLOKOSA-N 0 0 347.390 1.232 10 0 EDAERN COCc1nc(CN2CCN(c3nc4cc(C)ccc4o3)CC2)no1 ZINC000182440485 442767468 /nfs/dbraw/zinc/76/74/68/442767468.db2.gz UPXVMCUVUPWTLU-UHFFFAOYSA-N 0 0 343.387 1.988 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000188628913 442774296 /nfs/dbraw/zinc/77/42/96/442774296.db2.gz QCUBFXXOEFKESS-ZKYQVNSYSA-N 0 0 347.440 1.797 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3ncccc3C)CCO2)cn1 ZINC000188645975 442778960 /nfs/dbraw/zinc/77/89/60/442778960.db2.gz CEOXVFKFIKMFNZ-MRXNPFEDSA-N 0 0 329.404 1.890 10 0 EDAERN Cn1cc(CNC(=O)NC[C@H]2CN(C)CCO2)c(-c2ccccc2)n1 ZINC000182515072 442779189 /nfs/dbraw/zinc/77/91/89/442779189.db2.gz AGEHFZQAFDPUKY-INIZCTEOSA-N 0 0 343.431 1.217 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCN1C[C@H](C)O ZINC000247060220 442832029 /nfs/dbraw/zinc/83/20/29/442832029.db2.gz ZBMXJDOGCHDVLE-HOTGVXAUSA-N 0 0 342.443 1.790 10 0 EDAERN Cc1cnn(C[C@H]2CN(C[C@@H](O)COc3ccc(C)cc3)CCO2)c1 ZINC000247053352 442832739 /nfs/dbraw/zinc/83/27/39/442832739.db2.gz FIKOCJDLRSORLY-IEBWSBKVSA-N 0 0 345.443 1.641 10 0 EDAERN C=C1c2ccccc2C(=O)N1CCC(=O)N1CCCNC(=O)[C@@H]1C ZINC000188878943 442833574 /nfs/dbraw/zinc/83/35/74/442833574.db2.gz FVEATPBXBLBYDJ-ZDUSSCGKSA-N 0 0 327.384 1.240 10 0 EDAERN CCCn1ccc2cc(NC(=O)[C@H]3C[C@@H](O)CN3C(C)=O)ccc21 ZINC000188820114 442821801 /nfs/dbraw/zinc/82/18/01/442821801.db2.gz FVDFDXQQHZGCHQ-NVXWUHKLSA-N 0 0 329.400 1.972 10 0 EDAERN COCCC[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182791620 442825868 /nfs/dbraw/zinc/82/58/68/442825868.db2.gz METHLQJPPQONIK-OCCSQVGLSA-N 0 0 336.436 1.403 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000188889044 442836003 /nfs/dbraw/zinc/83/60/03/442836003.db2.gz OZIAVFOATFDDAX-GFCCVEGCSA-N 0 0 329.400 1.241 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCOCC(F)(F)C(F)F ZINC000189067606 442870771 /nfs/dbraw/zinc/87/07/71/442870771.db2.gz DHMBLOYIVXCAND-VIFPVBQESA-N 0 0 338.305 1.845 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N(CCO)CC(F)F)C1 ZINC000194374293 442885544 /nfs/dbraw/zinc/88/55/44/442885544.db2.gz CELYXFDFRQVEPY-WDEREUQCSA-N 0 0 336.379 1.766 10 0 EDAERN COC(=O)C[C@@H](NC(=O)Cn1ccc(C)cc1=O)c1ccccc1 ZINC000194376415 442886131 /nfs/dbraw/zinc/88/61/31/442886131.db2.gz BVEDPXZHNZWSLP-OAHLLOKOSA-N 0 0 328.368 1.577 10 0 EDAERN C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189226693 442901175 /nfs/dbraw/zinc/90/11/75/442901175.db2.gz TYEYVWATWRQPLW-DJJJIMSYSA-N 0 0 330.428 1.668 10 0 EDAERN COC[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000194455304 442899264 /nfs/dbraw/zinc/89/92/64/442899264.db2.gz OSORNORYEXTMMD-KGLIPLIRSA-N 0 0 349.822 1.933 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCCNC(=O)[C@H]2C)c1C ZINC000189286782 442912281 /nfs/dbraw/zinc/91/22/81/442912281.db2.gz DUOQSVMQKZXYJM-GFCCVEGCSA-N 0 0 335.404 1.201 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C[C@H](O)COc1ccc2ccccc2c1 ZINC000189301873 442916046 /nfs/dbraw/zinc/91/60/46/442916046.db2.gz CCASGKVQPTWFAJ-PBHICJAKSA-N 0 0 328.412 1.790 10 0 EDAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000194627136 442926496 /nfs/dbraw/zinc/92/64/96/442926496.db2.gz MPRAZNCBUSVMAQ-WMZOPIPTSA-N 0 0 343.427 1.397 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)n1C ZINC000194651206 442931803 /nfs/dbraw/zinc/93/18/03/442931803.db2.gz BVSKBGJLZUFMAK-INIZCTEOSA-N 0 0 345.428 1.723 10 0 EDAERN CCc1nnc(CSc2nnnn2-c2cc(C)ccc2OC)n1C ZINC000194661041 442934490 /nfs/dbraw/zinc/93/44/90/442934490.db2.gz IHCAPNJDZAHDNT-UHFFFAOYSA-N 0 0 345.432 1.963 10 0 EDAERN CCCCN1C(=O)N=NC1S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000183518530 442936294 /nfs/dbraw/zinc/93/62/94/442936294.db2.gz HTOHTAWEDBEDNS-UHFFFAOYSA-N 0 0 342.425 1.010 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccccc2CCOC)CC1 ZINC000189396783 442939473 /nfs/dbraw/zinc/93/94/73/442939473.db2.gz OAFDMRDUXQRQLL-INIZCTEOSA-N 0 0 335.448 1.796 10 0 EDAERN Cc1noc(-c2ccccc2C(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000189410013 442944146 /nfs/dbraw/zinc/94/41/46/442944146.db2.gz KIUSJPKDIFOTBY-UHFFFAOYSA-N 0 0 326.356 1.396 10 0 EDAERN O=C(Nc1cccc(CNC(=O)[C@@H]2CNC(=O)C2)c1)C1CCCC1 ZINC000194816940 442958486 /nfs/dbraw/zinc/95/84/86/442958486.db2.gz CPTOGNJRIIABMW-AWEZNQCLSA-N 0 0 329.400 1.568 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1)C1CC1 ZINC000189487797 442966679 /nfs/dbraw/zinc/96/66/79/442966679.db2.gz JBMLTGXSNLEUED-CABCVRRESA-N 0 0 342.395 1.298 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCN1CCOC(C)(C)C1 ZINC000194901299 442967021 /nfs/dbraw/zinc/96/70/21/442967021.db2.gz VIDOQSMTMURMRR-AWEZNQCLSA-N 0 0 348.447 1.424 10 0 EDAERN COc1ccc2c(CC(=O)N3CC(NC(=O)C4CC4)C3)coc2c1 ZINC000189495785 442967382 /nfs/dbraw/zinc/96/73/82/442967382.db2.gz BJGUODAHENPKQF-UHFFFAOYSA-N 0 0 328.368 1.721 10 0 EDAERN C[C@H]1CC(C(=O)N2CCN(c3ccc4nncn4n3)CC2)C[C@H](C)C1 ZINC000183854218 442970300 /nfs/dbraw/zinc/97/03/00/442970300.db2.gz YTIAQBWJZZAVIT-ZIAGYGMSSA-N 0 0 342.447 1.845 10 0 EDAERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189430040 442950911 /nfs/dbraw/zinc/95/09/11/442950911.db2.gz MECIWEPVAAHITB-ZBEGNZNMSA-N 0 0 341.411 1.632 10 0 EDAERN CC1=C(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)[C@@H](C)n2ncnc2N1C ZINC000195296165 443006488 /nfs/dbraw/zinc/00/64/88/443006488.db2.gz ZVFXXJLBGVFYMK-NEPJUHHUSA-N 0 0 349.435 1.752 10 0 EDAERN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1nnnn1C1CCCCC1)CC2 ZINC000189834574 443018453 /nfs/dbraw/zinc/01/84/53/443018453.db2.gz PXVTZMAZQXZIHC-OLZOCXBDSA-N 0 0 344.467 1.998 10 0 EDAERN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1nnnn1C1CCCCC1)CC2 ZINC000189834536 443018461 /nfs/dbraw/zinc/01/84/61/443018461.db2.gz PXVTZMAZQXZIHC-STQMWFEESA-N 0 0 344.467 1.998 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000184465811 443024803 /nfs/dbraw/zinc/02/48/03/443024803.db2.gz SZFDHFJFOUBEBZ-ZBFHGGJFSA-N 0 0 326.462 1.573 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000184512088 443031759 /nfs/dbraw/zinc/03/17/59/443031759.db2.gz VTSBKZBCEFEWTN-XKQJLSEDSA-N 0 0 338.423 1.865 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000249719010 443000599 /nfs/dbraw/zinc/00/05/99/443000599.db2.gz LAZOLCRBAQFDFX-JYJNAYRXSA-N 0 0 340.464 1.725 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)cn1 ZINC000184196417 443000968 /nfs/dbraw/zinc/00/09/68/443000968.db2.gz ADDDXGZZOBUSKA-SJKOYZFVSA-N 0 0 341.415 1.993 10 0 EDAERN CCn1ncc(C(=O)N2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)c1C ZINC000253409636 443058287 /nfs/dbraw/zinc/05/82/87/443058287.db2.gz MDTJDWDTTCHGPO-GXTWGEPZSA-N 0 0 345.403 1.320 10 0 EDAERN Cc1noc([C@H]2COCCN2CCC(=O)Nc2cc(N)ccc2F)n1 ZINC000185075871 443131196 /nfs/dbraw/zinc/13/11/96/443131196.db2.gz DRPLBHQFGUJFFE-CQSZACIVSA-N 0 0 349.366 1.501 10 0 EDAERN COCC(=O)NC1CN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000185088201 443133744 /nfs/dbraw/zinc/13/37/44/443133744.db2.gz AAQSNVJHIMXVHL-CYBMUJFWSA-N 0 0 346.349 1.056 10 0 EDAERN O=C(Nc1ccc(Cl)cc1-n1cccn1)C(=O)N1CCC[C@H]1CO ZINC000190608353 443148449 /nfs/dbraw/zinc/14/84/49/443148449.db2.gz IKADHDZFURUXCK-LBPRGKRZSA-N 0 0 348.790 1.448 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1=O ZINC000225547884 443112020 /nfs/dbraw/zinc/11/20/20/443112020.db2.gz LKHBAOUPFGNHIJ-HZPDHXFCSA-N 0 0 330.359 1.630 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3snnc3C)CC2)n1 ZINC000190522930 443126383 /nfs/dbraw/zinc/12/63/83/443126383.db2.gz BYMAKRUIGIQQGM-JTQLQIEISA-N 0 0 336.421 1.311 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)N2CCc3ccccc3C2)n1 ZINC000185070288 443130052 /nfs/dbraw/zinc/13/00/52/443130052.db2.gz LAVKYXKIEJUQBU-MRXNPFEDSA-N 0 0 342.399 1.336 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Oc2ccccc2Cl)C1 ZINC000185226091 443165266 /nfs/dbraw/zinc/16/52/66/443165266.db2.gz UYNRBVRDTYAODL-SNVBAGLBSA-N 0 0 326.780 1.081 10 0 EDAERN CC[C@@H](CC(=O)N1CC(NC(=O)COC)C1)c1ccc(OC)cc1 ZINC000185267370 443172687 /nfs/dbraw/zinc/17/26/87/443172687.db2.gz CQIVRMFXJSWGJC-ZDUSSCGKSA-N 0 0 334.416 1.552 10 0 EDAERN CCn1cc([C@H]2CN(Cc3csc(NC(C)=O)n3)CCO2)cn1 ZINC000190778154 443182733 /nfs/dbraw/zinc/18/27/33/443182733.db2.gz AYVTZSHLGVJYGF-CQSZACIVSA-N 0 0 335.433 1.891 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1CCCN([C@H](C(=O)[O-])c2ccncc2)[C@H]1[NH3+] ZINC000257354775 443157060 /nfs/dbraw/zinc/15/70/60/443157060.db2.gz ZTHPVXGQWCENKO-HZSPNIEDSA-N 0 0 335.404 1.546 10 0 EDAERN Cc1cccc(C(C)C)c1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190669320 443161588 /nfs/dbraw/zinc/16/15/88/443161588.db2.gz JAPMDESDTMTOCG-ZDUSSCGKSA-N 0 0 331.416 1.794 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000185213887 443162351 /nfs/dbraw/zinc/16/23/51/443162351.db2.gz RQBCMSNWNLHXSE-UHFFFAOYSA-N 0 0 348.790 1.317 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCc2ccnc(C)n2)C12CCOCC2 ZINC000185556349 443219182 /nfs/dbraw/zinc/21/91/82/443219182.db2.gz QPRYWJLPXMGQCJ-LSDHHAIUSA-N 0 0 334.420 1.558 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2n[nH]c3c2CCCCC3)n1 ZINC000191011602 443225395 /nfs/dbraw/zinc/22/53/95/443225395.db2.gz VNLDWQOHBROXST-CYBMUJFWSA-N 0 0 331.376 1.584 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(CC)CC2)C12CCOCC2 ZINC000185690728 443238959 /nfs/dbraw/zinc/23/89/59/443238959.db2.gz PYHPOZBWUVHYIW-HUUCEWRRSA-N 0 0 325.453 1.308 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)C[C@@H]1C ZINC000245603493 443239492 /nfs/dbraw/zinc/23/94/92/443239492.db2.gz GZCMOUBENXOPSX-QWRGUYRKSA-N 0 0 346.349 1.938 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)CCc2cccn2C)C[C@@H]1C ZINC000245667791 443243372 /nfs/dbraw/zinc/24/33/72/443243372.db2.gz FAIBDEXTBFDKFG-CVEARBPZSA-N 0 0 336.480 1.708 10 0 EDAERN Cc1ccc(C[C@H](CO)NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000190972917 443218104 /nfs/dbraw/zinc/21/81/04/443218104.db2.gz XRMLUVQHWQMDPU-UKRRQHHQSA-N 0 0 330.384 1.426 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000190982139 443218916 /nfs/dbraw/zinc/21/89/16/443218916.db2.gz VXDKXVLGGKNTOX-MRVPVSSYSA-N 0 0 337.228 1.893 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCCn2cc(C)cn2)C12CCOCC2 ZINC000185735486 443247203 /nfs/dbraw/zinc/24/72/03/443247203.db2.gz JWCLPLCXWNZEEX-LSDHHAIUSA-N 0 0 336.436 1.465 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000191153373 443249252 /nfs/dbraw/zinc/24/92/52/443249252.db2.gz HVRXAIMQLHHVEU-GFCCVEGCSA-N 0 0 329.404 1.416 10 0 EDAERN O=S(=O)(Cc1noc2ccccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000185785831 443256617 /nfs/dbraw/zinc/25/66/17/443256617.db2.gz JCFCOXGFCJKGFB-GFCCVEGCSA-N 0 0 347.400 1.586 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)c2ccccc2OC)C1 ZINC000185789548 443258258 /nfs/dbraw/zinc/25/82/58/443258258.db2.gz GDYJEHIVSBFNGP-ZDUSSCGKSA-N 0 0 332.400 1.785 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000191205619 443259065 /nfs/dbraw/zinc/25/90/65/443259065.db2.gz AMPUINQJEZKVTI-NSHDSACASA-N 0 0 325.796 1.639 10 0 EDAERN Cn1nc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1OC(F)F ZINC000185864064 443271592 /nfs/dbraw/zinc/27/15/92/443271592.db2.gz DJRMSRWSCOQBRC-NSHDSACASA-N 0 0 338.314 1.710 10 0 EDAERN CCCCn1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c(C)n1 ZINC000185927622 443285164 /nfs/dbraw/zinc/28/51/64/443285164.db2.gz NFNSVSGKAWOOQH-AWEZNQCLSA-N 0 0 332.408 1.632 10 0 EDAERN CCCCn1cc(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)c(C)n1 ZINC000185928441 443285867 /nfs/dbraw/zinc/28/58/67/443285867.db2.gz LDXJOIREIUYGKN-AWEZNQCLSA-N 0 0 346.435 1.886 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000185825823 443265222 /nfs/dbraw/zinc/26/52/22/443265222.db2.gz DQBHJHZVHRYJFD-NSHDSACASA-N 0 0 344.408 1.264 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000191477578 443300139 /nfs/dbraw/zinc/30/01/39/443300139.db2.gz FYNHVUMYADUFDX-AWEZNQCLSA-N 0 0 335.791 1.040 10 0 EDAERN Cc1cc(N2CCC([C@H](O)C(=O)NC3CC3)CC2)c(C#N)c(C)n1 ZINC000299753848 444135390 /nfs/dbraw/zinc/13/53/90/444135390.db2.gz ZOEVQUFKQTXCJY-KRWDZBQOSA-N 0 0 328.416 1.426 10 0 EDAERN CCn1cnnc1[C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)CCO1 ZINC000328635149 444405643 /nfs/dbraw/zinc/40/56/43/444405643.db2.gz UOXBFNAPIYCIEK-AWEZNQCLSA-N 0 0 340.387 1.696 10 0 EDAERN CCOC(=O)C=C(Nc1cscc1C(=O)OC)C(=O)OCC ZINC000498050829 448076234 /nfs/dbraw/zinc/07/62/34/448076234.db2.gz WJWNHUSQPKHOIB-POHAHGRESA-N 0 0 327.358 1.957 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)/C=C\c3cncc(O)c3)CC2)n1 ZINC000492393650 448210017 /nfs/dbraw/zinc/21/00/17/448210017.db2.gz DUYFPIYUTKQFTF-MVZIDQBPSA-N 0 0 343.387 1.397 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)o1 ZINC000583616392 448442287 /nfs/dbraw/zinc/44/22/87/448442287.db2.gz NCUREKRXPGUMOM-MCIONIFRSA-N 0 0 329.418 1.447 10 0 EDAERN O=C(CCOCc1ccccc1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617800 448444933 /nfs/dbraw/zinc/44/49/33/448444933.db2.gz SUQVPNDOXKMYRT-KRWDZBQOSA-N 0 0 330.388 1.222 10 0 EDAERN O=C(CCOCc1ccccc1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617801 448445155 /nfs/dbraw/zinc/44/51/55/448445155.db2.gz SUQVPNDOXKMYRT-QGZVFWFLSA-N 0 0 330.388 1.222 10 0 EDAERN O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617768 448445857 /nfs/dbraw/zinc/44/58/57/448445857.db2.gz QCAJRDLUPWUNFG-LJQANCHMSA-N 0 0 340.427 1.736 10 0 EDAERN Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618935 448448340 /nfs/dbraw/zinc/44/83/40/448448340.db2.gz JUPXRWSWXBPBBE-KRWDZBQOSA-N 0 0 325.372 1.718 10 0 EDAERN COCCn1ccc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C)C2)n1 ZINC000583619691 448449512 /nfs/dbraw/zinc/44/95/12/448449512.db2.gz IXMMNUGZLDFITG-CMPLNLGQSA-N 0 0 334.342 1.284 10 0 EDAERN C[C@H]1CC[C@H](NC(=O)[N-]S(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000584654332 448590095 /nfs/dbraw/zinc/59/00/95/448590095.db2.gz XKTCNWPCMCLLMP-AULYBMBSSA-N 0 0 325.434 1.712 10 0 EDAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)Cc1ccc(Br)cc1F ZINC000614453781 449620200 /nfs/dbraw/zinc/62/02/00/449620200.db2.gz CHYMEAOGWAGALK-PELKAZGASA-N 0 0 343.196 1.914 10 0 EDAERN CCc1nnc(C)cc1C(=O)N1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 ZINC000619287566 450446473 /nfs/dbraw/zinc/44/64/73/450446473.db2.gz XYYUDPPUGNPRHH-QMTHXVAHSA-N 0 0 331.376 1.641 10 0 EDAERN CCOC(=O)c1ccc([C@@H]2CCCCN(S(N)(=O)=O)C2)cc1 ZINC000616628250 450456397 /nfs/dbraw/zinc/45/63/97/450456397.db2.gz DNRQHDWGMURGBM-CQSZACIVSA-N 0 0 326.418 1.636 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1sccc1Br ZINC000633924046 451104009 /nfs/dbraw/zinc/10/40/09/451104009.db2.gz BRAJIVJUYAZQNH-SECBINFHSA-N 0 0 333.251 1.913 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccc(Br)cc1F ZINC000633929908 451114486 /nfs/dbraw/zinc/11/44/86/451114486.db2.gz QMLVECBRCPMWRO-NSHDSACASA-N 0 0 345.212 1.991 10 0 EDAERN COc1ccc(Br)c(C(=O)N[C@@H]2CCOC[C@@H]2O)c1 ZINC000629221010 451600769 /nfs/dbraw/zinc/60/07/69/451600769.db2.gz RQEGXQWOIOMNHD-NEPJUHHUSA-N 0 0 330.178 1.337 10 0 EDAERN COc1cc(C)nc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000645269975 452248421 /nfs/dbraw/zinc/24/84/21/452248421.db2.gz WPMHQLGFUQFKAO-BBRMVZONSA-N 0 0 327.388 1.820 10 0 EDAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)[C@H]1CCCO1 ZINC000075653229 486890041 /nfs/dbraw/zinc/89/00/41/486890041.db2.gz YMNGORLACQYVMX-GHMZBOCLSA-N 0 0 332.447 1.100 10 0 EDAERN CCn1c(-c2cccc(OC)c2F)nc2c1c(=O)[nH]c(=O)n2CC ZINC000193166772 487159629 /nfs/dbraw/zinc/15/96/29/487159629.db2.gz KLXQSVMSFNTCAL-UHFFFAOYSA-N 0 0 332.335 1.741 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(S(C)(=O)=O)cc1 ZINC000172128821 485980198 /nfs/dbraw/zinc/98/01/98/485980198.db2.gz LLUNTKGZHIGBPB-LTZCYQRMSA-N 0 0 338.429 1.770 10 0 EDAERN Cc1cc(C(F)(F)F)nc(N2CC[C@](O)(Cn3ccnn3)C2)n1 ZINC000671466673 486549825 /nfs/dbraw/zinc/54/98/25/486549825.db2.gz LNRZOOGAKFHRGX-GFCCVEGCSA-N 0 0 328.298 1.037 10 0 EDAERN Cc1cc(C)cc(OCCC(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c1 ZINC000671500119 486628702 /nfs/dbraw/zinc/62/87/02/486628702.db2.gz QFIYILLDIDNADX-SFHVURJKSA-N 0 0 344.415 1.327 10 0 EDAERN O=C(CC1CC(c2ccccc2)C1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671500590 486628913 /nfs/dbraw/zinc/62/89/13/486628913.db2.gz SWKDUCQPOBZYGP-KVWWFHCMSA-N 0 0 340.427 1.825 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000124205594 491209210 /nfs/dbraw/zinc/20/92/10/491209210.db2.gz USTGWXVENLVSGG-RYUDHWBXSA-N 0 0 328.438 1.164 10 0 EDAERN COC1(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CCOCC1 ZINC000126066709 491013687 /nfs/dbraw/zinc/01/36/87/491013687.db2.gz MBQQJLPKXYTSTD-WMLDXEAASA-N 0 0 326.437 1.519 10 0 EDAERN CN1C[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000074863288 491015348 /nfs/dbraw/zinc/01/53/48/491015348.db2.gz YAVRMFCPLQKSOY-QMMMGPOBSA-N 0 0 337.228 1.750 10 0 EDAERN C[C@@H](O)[C@H]1CCN(CC(=O)Nc2ccc(N)cc2Br)C1 ZINC000167646855 533842942 /nfs/dbraw/zinc/84/29/42/533842942.db2.gz NZOPQPYCMAYNMM-ZJUUUORDSA-N 0 0 342.237 1.673 10 0 EDAERN COc1cccc2sc(C(=O)NC[C@H](C)[S@](C)=O)c(N)c21 ZINC000166485546 533910748 /nfs/dbraw/zinc/91/07/48/533910748.db2.gz WTTZXXMPQFVKDT-HXNGOWOSSA-N 0 0 326.443 1.989 10 0 EDAERN Cc1cc2sc(C(=O)NC[C@H](C)[S@](C)=O)c(N)c2c(C)n1 ZINC000166484193 534150824 /nfs/dbraw/zinc/15/08/24/534150824.db2.gz HWSJRAPPAMHWDV-HXNGOWOSSA-N 0 0 325.459 1.992 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173694126 534166080 /nfs/dbraw/zinc/16/60/80/534166080.db2.gz ZGADWZAATZKALI-LBPRGKRZSA-N 0 0 329.360 1.089 10 0 EDAERN COC(=O)c1ncn(-c2ccc(N)cc2I)n1 ZINC000167315540 534359645 /nfs/dbraw/zinc/35/96/45/534359645.db2.gz JZWURJMHFOUAEK-UHFFFAOYSA-N 0 0 344.112 1.241 10 0 EDAERN NS(=O)(=O)CC1(COc2cccc(Cl)c2F)CCOCC1 ZINC000167374186 534694822 /nfs/dbraw/zinc/69/48/22/534694822.db2.gz BXIFDGNVLLUQQY-UHFFFAOYSA-N 0 0 337.800 1.943 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000186884317 534778928 /nfs/dbraw/zinc/77/89/28/534778928.db2.gz FVXNUYMCMWOFDF-LLVKDONJSA-N 0 0 343.778 1.257 10 0 EDAERN O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173999528 534874108 /nfs/dbraw/zinc/87/41/08/534874108.db2.gz JTKSHPORAOTSNE-CYBMUJFWSA-N 0 0 330.837 1.435 10 0 EDAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173446884 526677599 /nfs/dbraw/zinc/67/75/99/526677599.db2.gz OWEITTXWWYUCDK-NWDGAFQWSA-N 0 0 338.433 1.778 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2cc(N(C)C)nc3ccccc23)C1 ZINC000190231340 526707513 /nfs/dbraw/zinc/70/75/13/526707513.db2.gz GJDGCGSLHJMRCT-UHFFFAOYSA-N 0 0 341.415 1.331 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)C1 ZINC000190294437 526710997 /nfs/dbraw/zinc/71/09/97/526710997.db2.gz RJRSIQCTANRLEZ-ZDUSSCGKSA-N 0 0 334.395 1.324 10 0 EDAERN CC(C)OCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000186899144 527968014 /nfs/dbraw/zinc/96/80/14/527968014.db2.gz XJXXITQOTQESDO-QGZVFWFLSA-N 0 0 335.448 1.472 10 0 EDAERN CC(C)OCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000186899128 527968205 /nfs/dbraw/zinc/96/82/05/527968205.db2.gz XJXXITQOTQESDO-KRWDZBQOSA-N 0 0 335.448 1.472 10 0 EDAERN CCC[C@H](C)NC(=O)Cn1cnc(Cl)c(Br)c1=O ZINC000164895664 528056485 /nfs/dbraw/zinc/05/64/85/528056485.db2.gz OIQUQUOPQVUDNQ-ZETCQYMHSA-N 0 0 336.617 1.964 10 0 EDAERN CC(C)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000174007677 528108811 /nfs/dbraw/zinc/10/88/11/528108811.db2.gz PUDYMUPUXKDCNO-KRWDZBQOSA-N 0 0 345.443 1.682 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)CCCC(C)=O)CC2)n1 ZINC000184756760 528255143 /nfs/dbraw/zinc/25/51/43/528255143.db2.gz WZXPKFIHVBGJPV-UHFFFAOYSA-N 0 0 334.420 1.592 10 0 EDAERN CCN[C@H](C)c1csc(NC(=O)[C@H]2CCCCS2(=O)=O)n1 ZINC000168016291 528423222 /nfs/dbraw/zinc/42/32/22/528423222.db2.gz QEUZAPJZGHXGJM-MWLCHTKSSA-N 0 0 331.463 1.719 10 0 EDAERN CC(C)[C@@H](O)CC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000186565717 528616925 /nfs/dbraw/zinc/61/69/25/528616925.db2.gz DNKPRLFYKYIINB-HNNXBMFYSA-N 0 0 338.379 1.644 10 0 EDAERN CCC(CC)c1cc(CNC(=O)N2CC(NC(=O)C3CC3)C2)on1 ZINC000187297037 528879645 /nfs/dbraw/zinc/87/96/45/528879645.db2.gz OQTUJGIMCMVJSD-UHFFFAOYSA-N 0 0 334.420 1.998 10 0 EDAERN CCCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000246905885 534938333 /nfs/dbraw/zinc/93/83/33/534938333.db2.gz HLUFJOVEEITDRP-MGPQQGTHSA-N 0 0 328.478 1.745 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@@H](O)c1ccsc1)CC2 ZINC000181710965 535023960 /nfs/dbraw/zinc/02/39/60/535023960.db2.gz SERIEALRGVNXBX-QWHCGFSZSA-N 0 0 349.460 1.811 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)CC2 ZINC000195277385 535029789 /nfs/dbraw/zinc/02/97/89/535029789.db2.gz IZEKXLJQYWYTMU-LLVKDONJSA-N 0 0 340.387 1.316 10 0 EDAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCCNC(=O)[C@@H]2C)CCO1 ZINC000191551803 535126989 /nfs/dbraw/zinc/12/69/89/535126989.db2.gz HXHJBQNWTOCATH-CFVMTHIKSA-N 0 0 325.453 1.890 10 0 EDAERN CCOCCC1(CNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1 ZINC000132779247 535471621 /nfs/dbraw/zinc/47/16/21/535471621.db2.gz UNMBXQJHQVMBIL-ZDUSSCGKSA-N 0 0 337.424 1.403 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2cccc(OC)c2)C[C@H]1C ZINC000247193970 535603346 /nfs/dbraw/zinc/60/33/46/535603346.db2.gz OJVAXYQDIOYOCW-OAHLLOKOSA-N 0 0 335.448 1.676 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)NCc2ccccc2)C[C@H]1C ZINC000247038887 535607497 /nfs/dbraw/zinc/60/74/97/535607497.db2.gz DPMNFFCFKDCBJW-IAGOWNOFSA-N 0 0 333.476 1.734 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000246638611 535867158 /nfs/dbraw/zinc/86/71/58/535867158.db2.gz GNPOPWFQTHYSOP-JLJPHGGASA-N 0 0 345.443 1.568 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](C)C(=O)OC ZINC000245391231 535972940 /nfs/dbraw/zinc/97/29/40/535972940.db2.gz PEAIJNSIVMZJMK-YDHLFZDLSA-N 0 0 334.416 1.756 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CCOC)Cc1ccco1)CC2 ZINC000114978032 536162668 /nfs/dbraw/zinc/16/26/68/536162668.db2.gz BQHDZHRRRGTGRW-CYBMUJFWSA-N 0 0 347.419 1.607 10 0 EDAERN CN[C@H](C(=O)NCCc1c[nH]c2cccc(C)c12)c1cnn(C)c1 ZINC000262228997 536382017 /nfs/dbraw/zinc/38/20/17/536382017.db2.gz QCTXNDZYFMSTLW-KRWDZBQOSA-N 0 0 325.416 1.829 10 0 EDAERN COC[C@H](C)S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246079041 536840014 /nfs/dbraw/zinc/84/00/14/536840014.db2.gz GFIDSTXIWHCCNE-CWRNSKLLSA-N 0 0 327.446 1.939 10 0 EDAERN COc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132726626 537101577 /nfs/dbraw/zinc/10/15/77/537101577.db2.gz MOQCLTGZDXTJBU-CQSZACIVSA-N 0 0 334.397 1.932 10 0 EDAERN COc1ncccc1C(=O)Nc1ccccc1N1CCNC(=O)C1 ZINC000049412848 537155749 /nfs/dbraw/zinc/15/57/49/537155749.db2.gz JNXFIIFOGRAUST-UHFFFAOYSA-N 0 0 326.356 1.279 10 0 EDAERN COc1ccccc1C/C(C)=C/C(=O)N1C[C@@H](OC)C[C@H]1C(N)=O ZINC000794174449 580879464 /nfs/dbraw/zinc/87/94/64/580879464.db2.gz QJBZQZFVHWJNMJ-IKYJFFNYSA-N 0 0 332.400 1.285 10 0 EDAERN CCOC(=O)c1ncc(Br)c(N[C@H]2CCO[C@@H]2C)n1 ZINC000893042975 590633093 /nfs/dbraw/zinc/63/30/93/590633093.db2.gz YBBLAGWMEPRWQW-APPZFPTMSA-N 0 0 330.182 1.427 10 0 EDAERN CNC(=O)C[C@@]1(O)CCCN(C(=O)/C=C(/C)c2ccccc2C)C1 ZINC000888076857 590932971 /nfs/dbraw/zinc/93/29/71/590932971.db2.gz NOKZZDOWUZDBKV-HVEPWOEZSA-N 0 0 330.428 1.888 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000888077831 590933059 /nfs/dbraw/zinc/93/30/59/590933059.db2.gz XRLARXIQAZLEHM-CHWSQXEVSA-N 0 0 329.356 1.670 10 0 EDAERN CCN(Cc1cccc2c1OCCO2)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[NH2+]C1 ZINC000888101264 591030117 /nfs/dbraw/zinc/03/01/17/591030117.db2.gz ZHRTUWAOUWKXSA-OCCSQVGLSA-N 0 0 348.399 1.259 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cncn(CC)c1=O ZINC000892671696 591122176 /nfs/dbraw/zinc/12/21/76/591122176.db2.gz SNKKLQVXJCALRD-DGCLKSJQSA-N 0 0 331.376 1.196 10 0 EDAERN CO[C@@H]1CN(c2cc(Cl)c3c(C)nn(C)c3n2)C[C@H]1c1c[nH]nn1 ZINC000894309785 591274013 /nfs/dbraw/zinc/27/40/13/591274013.db2.gz HCALDTJOTYYGPB-JOYOIKCWSA-N 0 0 347.810 1.667 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)C2CN([C@H]3CCOC3)C2)no1 ZINC000896710477 591590363 /nfs/dbraw/zinc/59/03/63/591590363.db2.gz OTNAHEAKXBKNDA-UONOGXRCSA-N 0 0 334.420 1.577 10 0 EDAERN Cc1nc(C[C@H]2CCCN(Cn3nc4ccccn4c3=O)C2)no1 ZINC000103135096 593191361 /nfs/dbraw/zinc/19/13/61/593191361.db2.gz NMWUWJPMHTXGJS-CYBMUJFWSA-N 0 0 328.376 1.100 10 0 EDAERN COc1ccnc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)n1 ZINC000818146102 593674625 /nfs/dbraw/zinc/67/46/25/593674625.db2.gz UKHTXHXILWYPFK-MRXNPFEDSA-N 0 0 331.376 1.320 10 0 EDAERN Cc1cnc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)nc1C ZINC000818147097 593674860 /nfs/dbraw/zinc/67/48/60/593674860.db2.gz VMAMFXCZOPWULH-KRWDZBQOSA-N 0 0 329.404 1.928 10 0 EDAERN CCc1ncc(CN2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)cn1 ZINC000818190363 593680221 /nfs/dbraw/zinc/68/02/21/593680221.db2.gz DPMHVZNHLFDZBF-GOSISDBHSA-N 0 0 343.431 1.869 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)N[C@H](CO)c3ccccc3)ccc2o1 ZINC000102888453 595179277 /nfs/dbraw/zinc/17/92/77/595179277.db2.gz OGXJKTAISWDMQX-OAHLLOKOSA-N 0 0 345.376 1.805 10 0 EDAERN C[C@H](C(=O)NC(C)(C)C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820451 595466937 /nfs/dbraw/zinc/46/69/37/595466937.db2.gz YDGKMEGFNRGWJM-WBVHZDCISA-N 0 0 333.476 1.641 10 0 EDAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000112951362 595571769 /nfs/dbraw/zinc/57/17/69/595571769.db2.gz JNYVEMFZTFJWTA-HNNXBMFYSA-N 0 0 340.489 1.489 10 0 EDAERN COc1cccc(/C(C)=C\C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1 ZINC000855079596 595593161 /nfs/dbraw/zinc/59/31/61/595593161.db2.gz DWYBLOIPSQWYNX-REFRMOFFSA-N 0 0 327.384 1.786 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1C ZINC000117369156 595642764 /nfs/dbraw/zinc/64/27/64/595642764.db2.gz JMYLSAOHXHOOOC-LBPRGKRZSA-N 0 0 347.868 1.466 10 0 EDAERN CS(=O)(=O)NC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000010679816 595859683 /nfs/dbraw/zinc/85/96/83/595859683.db2.gz BISIDDDOOCCUHW-FMIVXFBMSA-N 0 0 344.458 1.001 10 0 EDAERN Cc1[nH]nc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1C ZINC000864839118 596381284 /nfs/dbraw/zinc/38/12/84/596381284.db2.gz DFKRSLREWJJVMM-LLVKDONJSA-N 0 0 330.392 1.218 10 0 EDAERN CCCCOC(=O)[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000119203776 596478097 /nfs/dbraw/zinc/47/80/97/596478097.db2.gz LPDQHIVUNMLLJP-INIZCTEOSA-N 0 0 336.480 1.886 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccsc1 ZINC000120404767 596495909 /nfs/dbraw/zinc/49/59/09/596495909.db2.gz OUOJKBUSJULDDV-JTQLQIEISA-N 0 0 349.437 1.492 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)C(C)C ZINC000124801602 596918755 /nfs/dbraw/zinc/91/87/55/596918755.db2.gz OHWSSTWGQZQXDW-WDEREUQCSA-N 0 0 339.358 1.462 10 0 EDAERN C[C@H]1CC[C@H](C(=O)OCCN2CCN(Cc3ccsc3)CC2)O1 ZINC000125406277 597424378 /nfs/dbraw/zinc/42/43/78/597424378.db2.gz OQOFHOCMVCIXCK-GOEBONIOSA-N 0 0 338.473 1.976 10 0 EDAERN C[C@@H](CNC(=O)c1ccnc(Br)c1)N1CCOCC1 ZINC000126364132 597446092 /nfs/dbraw/zinc/44/60/92/597446092.db2.gz GZJWWZNHDWGUJV-JTQLQIEISA-N 0 0 328.210 1.295 10 0 EDAERN CC(=O)OC1CCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000132999841 597918369 /nfs/dbraw/zinc/91/83/69/597918369.db2.gz ITMUHWJWNZADLE-ZDUSSCGKSA-N 0 0 349.435 1.453 10 0 EDAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175248818 697706760 /nfs/dbraw/zinc/70/67/60/697706760.db2.gz RJPHBLVQSBGGFH-RYUDHWBXSA-N 0 0 333.388 1.389 10 0 EDAERN C[C@H]1CC[C@H](C(=O)OCCn2cc(Br)ccc2=O)O1 ZINC000181350126 699504207 /nfs/dbraw/zinc/50/42/07/699504207.db2.gz JQOUECHFWULESK-GXSJLCMTSA-N 0 0 330.178 1.722 10 0 EDAERN Cn1cc([C@@H]2[C@H](C(=O)OCCOCC(F)F)CCC(=O)N2C)cn1 ZINC000185459542 702072051 /nfs/dbraw/zinc/07/20/51/702072051.db2.gz QOQZJASSPLSNBJ-BXUZGUMPSA-N 0 0 345.346 1.155 10 0 EDAERN Cn1nccc1CCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000184492847 703313112 /nfs/dbraw/zinc/31/31/12/703313112.db2.gz WTWZLLQHGJWIJA-CQSZACIVSA-N 0 0 348.428 1.181 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)C[C@H](C)O1 ZINC000091196235 707218483 /nfs/dbraw/zinc/21/84/83/707218483.db2.gz MEVMZABSTDRLQM-IUCAKERBSA-N 0 0 342.193 1.418 10 0 EDAERN C[C@H]1CCS(=O)(=O)CCN1C(=O)NCCSC(F)(F)F ZINC000191976800 290609152 /nfs/dbraw/zinc/60/91/52/290609152.db2.gz STBGVPJAYUNKNE-QMMMGPOBSA-N 0 0 334.385 1.458 10 0 EDAERN Cc1nc(N)sc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000055172690 214282834 /nfs/dbraw/zinc/28/28/34/214282834.db2.gz CWYYIMGHSRQJJS-UHFFFAOYSA-N 0 0 326.403 1.075 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(C)ccc3C)CCO2)[nH]1 ZINC000173736935 231018776 /nfs/dbraw/zinc/01/87/76/231018776.db2.gz QXVZJQSYPMBXPJ-CYBMUJFWSA-N 0 0 336.417 1.492 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@H]1N1CCOCC1 ZINC000173963692 231084942 /nfs/dbraw/zinc/08/49/42/231084942.db2.gz BVNAHAHHFNHEHZ-WMLDXEAASA-N 0 0 345.443 1.181 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)nc3C)C2=O)n(C)n1 ZINC000174976761 231358504 /nfs/dbraw/zinc/35/85/04/231358504.db2.gz HAJCXTBADFNFFY-HNNXBMFYSA-N 0 0 341.415 1.666 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc2c1OCO2 ZINC000175706080 231496935 /nfs/dbraw/zinc/49/69/35/231496935.db2.gz KZKXXIRYLOIAGO-LBPRGKRZSA-N 0 0 329.360 1.650 10 0 EDAERN CC(C)n1c(Sc2ccc(S(C)(=O)=O)cc2N)n[nH]c1=O ZINC000061594115 214666456 /nfs/dbraw/zinc/66/64/56/214666456.db2.gz CHZNNEHGZUYLPB-UHFFFAOYSA-N 0 0 328.419 1.289 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N(C)c1cccc(C(N)=S)c1 ZINC000061952533 214688981 /nfs/dbraw/zinc/68/89/81/214688981.db2.gz FFRMDVAVZFPESP-UHFFFAOYSA-N 0 0 330.431 1.040 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CCO)c1ccco1 ZINC000187357422 529750581 /nfs/dbraw/zinc/75/05/81/529750581.db2.gz YICXDJFMMFKJEL-NWDGAFQWSA-N 0 0 333.392 1.691 10 0 EDAERN Cc1nc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]c1C ZINC000153740426 539349736 /nfs/dbraw/zinc/34/97/36/539349736.db2.gz AQZFTXMMQZTKBS-LLVKDONJSA-N 0 0 349.412 1.281 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000185118810 529901614 /nfs/dbraw/zinc/90/16/14/529901614.db2.gz DBYPXZMDGSDSKT-AWEZNQCLSA-N 0 0 343.383 1.725 10 0 EDAERN Cn1cc(Br)c(Cn2nc(N)nc2Br)n1 ZINC000725249958 539385764 /nfs/dbraw/zinc/38/57/64/539385764.db2.gz NYQIFHPDKVAWEU-UHFFFAOYSA-N 0 0 335.991 1.167 10 0 EDAERN CN(C)C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccccc1 ZINC000154245820 539571461 /nfs/dbraw/zinc/57/14/61/539571461.db2.gz TUNBHCVMLBZXRP-HZPDHXFCSA-N 0 0 326.462 1.778 10 0 EDAERN CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000685940309 539578147 /nfs/dbraw/zinc/57/81/47/539578147.db2.gz CWONKXYEMZGHSE-KGLIPLIRSA-N 0 0 336.436 1.392 10 0 EDAERN C[C@@H](C(=O)NC1C[C@@H](C)O[C@H](C)C1)N1C(=O)c2ccccc2C1=O ZINC000245508893 539593672 /nfs/dbraw/zinc/59/36/72/539593672.db2.gz SUCARFQAQWUJAU-UTUOFQBUSA-N 0 0 330.384 1.743 10 0 EDAERN COCc1noc([C@H](C)N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 ZINC000181838080 234345083 /nfs/dbraw/zinc/34/50/83/234345083.db2.gz FTZYOGFWPSQUJJ-QWRGUYRKSA-N 0 0 336.396 1.347 10 0 EDAERN COCc1nnc(-c2cccc(C(=O)NCCn3cc(C)cn3)c2)o1 ZINC000182039972 234426905 /nfs/dbraw/zinc/42/69/05/234426905.db2.gz ADJQMIFPLXDYEY-UHFFFAOYSA-N 0 0 341.371 1.818 10 0 EDAERN [NH3+][C@H](CSCC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000019440694 202007698 /nfs/dbraw/zinc/00/76/98/202007698.db2.gz SHTWZNUAAYGSQL-SECBINFHSA-N 0 0 333.207 1.533 10 0 EDAERN CCc1ccc(NC(=O)NC[C@H](O)CN2CCOCC2)cc1CC ZINC000182759392 540133563 /nfs/dbraw/zinc/13/35/63/540133563.db2.gz ZJOGAMWRYXYGDE-KRWDZBQOSA-N 0 0 335.448 1.626 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)c2cnn(C)c2N)c2cccs2)CCO1 ZINC000185228137 540147693 /nfs/dbraw/zinc/14/76/93/540147693.db2.gz VIBBFIZRISRJFX-AAEUAGOBSA-N 0 0 349.460 1.256 10 0 EDAERN CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000188484013 540159313 /nfs/dbraw/zinc/15/93/13/540159313.db2.gz TVUXWBZFYHVFFM-BPQIPLTHSA-N 0 0 346.427 1.731 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000188781143 540160860 /nfs/dbraw/zinc/16/08/60/540160860.db2.gz CZZWYIWRBLRRQG-BRWVUGGUSA-N 0 0 334.391 1.341 10 0 EDAERN Cn1nc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1OC(F)F ZINC000184105681 235307600 /nfs/dbraw/zinc/30/76/00/235307600.db2.gz DBGBEPNNWVZJLS-SNVBAGLBSA-N 0 0 340.334 1.165 10 0 EDAERN CC(C)[C@@H](C)NC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000060956177 138163494 /nfs/dbraw/zinc/16/34/94/138163494.db2.gz VNJRZVCACWPNIN-CYBMUJFWSA-N 0 0 327.450 1.450 10 0 EDAERN COCC(=O)Nc1ccc(OC)c(CN2C(=O)[C@@H]3CCCN3C2=O)c1 ZINC000020529862 202047419 /nfs/dbraw/zinc/04/74/19/202047419.db2.gz GYFNAAJCGHWMAK-ZDUSSCGKSA-N 0 0 347.371 1.207 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000185220317 235616816 /nfs/dbraw/zinc/61/68/16/235616816.db2.gz DYUJJYOBGPHJQS-DLBZAZTESA-N 0 0 330.428 1.887 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](COCC)C1 ZINC000070928123 138204571 /nfs/dbraw/zinc/20/45/71/138204571.db2.gz OOYADKMCHWKBEO-LSDHHAIUSA-N 0 0 346.493 1.466 10 0 EDAERN CCCCNS(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1 ZINC000020631507 202051566 /nfs/dbraw/zinc/05/15/66/202051566.db2.gz YXIONVWQZRFSEL-UHFFFAOYSA-N 0 0 340.430 1.869 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000185268888 235629299 /nfs/dbraw/zinc/62/92/99/235629299.db2.gz QQRNVIYSSCXCAN-QWRGUYRKSA-N 0 0 342.317 1.181 10 0 EDAERN O=C(N[C@@H]1CCSC1=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000021450110 202065384 /nfs/dbraw/zinc/06/53/84/202065384.db2.gz QLEOJZGHUIKRGP-JOYOIKCWSA-N 0 0 338.816 1.841 10 0 EDAERN CC[C@H]1COCCN1S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005349 202081418 /nfs/dbraw/zinc/08/14/18/202081418.db2.gz HOFAKDKPJZBUGT-ZDUSSCGKSA-N 0 0 328.459 1.261 10 0 EDAERN CCCNS(=O)(=O)c1ccccc1NCCCS(C)(=O)=O ZINC000038048348 202093087 /nfs/dbraw/zinc/09/30/87/202093087.db2.gz AUFCEDWGGKPLGB-UHFFFAOYSA-N 0 0 334.463 1.222 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1ccccc1C ZINC000083740706 138269358 /nfs/dbraw/zinc/26/93/58/138269358.db2.gz FKEUTFABYMPCOG-HUUCEWRRSA-N 0 0 329.404 1.763 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)NC[C@@H]1CCCC[C@@H]1O ZINC000086334657 138271072 /nfs/dbraw/zinc/27/10/72/138271072.db2.gz RTLVYNXPJLSHQR-HZMBPMFUSA-N 0 0 326.343 1.362 10 0 EDAERN O=C(CC1CCCCC1)NCCNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000081490617 138266666 /nfs/dbraw/zinc/26/66/66/138266666.db2.gz CKXMXHSXTCVXKQ-JKSUJKDBSA-N 0 0 339.480 1.923 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000081812735 138267505 /nfs/dbraw/zinc/26/75/05/138267505.db2.gz KXCZIDLLFBRRNP-CYBMUJFWSA-N 0 0 349.341 1.246 10 0 EDAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)cc(C)c1OC(F)F ZINC000091780599 138284860 /nfs/dbraw/zinc/28/48/60/138284860.db2.gz JKQIMPLIDUDRET-NSHDSACASA-N 0 0 328.315 1.231 10 0 EDAERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785549 138285081 /nfs/dbraw/zinc/28/50/81/138285081.db2.gz DATKJVDYUVQVPA-PRHODGIISA-N 0 0 347.198 1.473 10 0 EDAERN C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CC1 ZINC000025771630 202136011 /nfs/dbraw/zinc/13/60/11/202136011.db2.gz VRVCPXXMINOVHF-ZETCQYMHSA-N 0 0 347.234 1.625 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000091228063 138283381 /nfs/dbraw/zinc/28/33/81/138283381.db2.gz HPVGOZBILSGXMD-GFCCVEGCSA-N 0 0 329.356 1.589 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1=O ZINC000092319792 138287993 /nfs/dbraw/zinc/28/79/93/138287993.db2.gz OVXVXUIWXBWMJL-MRXNPFEDSA-N 0 0 349.406 1.703 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)Cc1ccccc1)CC2 ZINC000114976818 138310855 /nfs/dbraw/zinc/31/08/55/138310855.db2.gz XJOJZKGOTUCHMN-GJZGRUSLSA-N 0 0 343.431 1.058 10 0 EDAERN CCCn1c(-c2cc(Cl)ccc2OC)nnc1S(N)(=O)=O ZINC000158402480 202158735 /nfs/dbraw/zinc/15/87/35/202158735.db2.gz HHKQYOHBRVCNEW-UHFFFAOYSA-N 0 0 330.797 1.665 10 0 EDAERN CCn1cc(C2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)cn1 ZINC000123819019 138321550 /nfs/dbraw/zinc/32/15/50/138321550.db2.gz WDDFYJCWYSLDRA-CQSZACIVSA-N 0 0 333.436 1.400 10 0 EDAERN O=C(CCc1nnc(C2CCCC2)o1)N1CC[C@@H](N2CCOCC2)C1 ZINC000131690068 138364381 /nfs/dbraw/zinc/36/43/81/138364381.db2.gz KHDIRUYDQIWWOX-OAHLLOKOSA-N 0 0 348.447 1.593 10 0 EDAERN Cc1ccn2ncc(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)c2n1 ZINC000133554265 138395392 /nfs/dbraw/zinc/39/53/92/138395392.db2.gz LPMHIIYYJAMMJY-LBPRGKRZSA-N 0 0 339.403 1.497 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3cccc(N(C)C)n3)CCO2)[nH]1 ZINC000152905975 138485234 /nfs/dbraw/zinc/48/52/34/138485234.db2.gz BHYICMBWTPHMJD-LLVKDONJSA-N 0 0 331.380 1.180 10 0 EDAERN Cc1coc2ccc(NC(=O)C(=O)NC[C@@H](C)N3CCOCC3)cc12 ZINC000187325536 236179297 /nfs/dbraw/zinc/17/92/97/236179297.db2.gz LVOPEBBZDSTKGQ-CYBMUJFWSA-N 0 0 345.399 1.517 10 0 EDAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000187684226 236276282 /nfs/dbraw/zinc/27/62/82/236276282.db2.gz PVXWYBIBEKAPGU-ZBFHGGJFSA-N 0 0 349.456 1.749 10 0 EDAERN CC[NH+]1CCN(c2ccc(NS(=O)(=O)CC)c(C(=O)[O-])c2)CC1 ZINC000033259897 202254265 /nfs/dbraw/zinc/25/42/65/202254265.db2.gz HEAIZMXBYLPOEK-UHFFFAOYSA-N 0 0 341.433 1.288 10 0 EDAERN CN(C)C(=O)CCCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000175067217 138691222 /nfs/dbraw/zinc/69/12/22/138691222.db2.gz XFDLAFYMRUCEES-UHFFFAOYSA-N 0 0 344.415 1.735 10 0 EDAERN Cc1ccccc1O[C@@H](C)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175116468 138691706 /nfs/dbraw/zinc/69/17/06/138691706.db2.gz VZMHMANRIPPDSV-UONOGXRCSA-N 0 0 329.404 1.668 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](COC)c1ccc(C)o1)CC2 ZINC000175517790 138696620 /nfs/dbraw/zinc/69/66/20/138696620.db2.gz MOBRJONSIZEWBS-CHWSQXEVSA-N 0 0 347.419 1.744 10 0 EDAERN CCC(CC)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176470057 138709493 /nfs/dbraw/zinc/70/94/93/138709493.db2.gz OMMQPFBSRIAMKA-AWEZNQCLSA-N 0 0 335.452 1.959 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NC[C@]1(CCO)CCOC1 ZINC000177635915 138732088 /nfs/dbraw/zinc/73/20/88/138732088.db2.gz MQQPXKYEIAKZCN-YJBOKZPZSA-N 0 0 336.432 1.680 10 0 EDAERN Cc1n[nH]cc1CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000189782776 237247011 /nfs/dbraw/zinc/24/70/11/237247011.db2.gz MCPJLBSZXSPDEI-NWDGAFQWSA-N 0 0 326.372 1.682 10 0 EDAERN CCCOc1ccc2cc(C(=O)NN3CCN(C)CC3)c(=O)oc2c1 ZINC000033811011 202270232 /nfs/dbraw/zinc/27/02/32/202270232.db2.gz ZOBHHMWZEGKHDS-UHFFFAOYSA-N 0 0 345.399 1.474 10 0 EDAERN COC(=O)[C@@H](N)CSCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000069565157 202288909 /nfs/dbraw/zinc/28/89/09/202288909.db2.gz OXBBOXIZUQRQBN-JTQLQIEISA-N 0 0 332.809 1.521 10 0 EDAERN Cc1cc(N)n(-c2nc3ccccc3n2CCN2CCOCC2)n1 ZINC000035576284 202307136 /nfs/dbraw/zinc/30/71/36/202307136.db2.gz LJSTULHESHRCKS-UHFFFAOYSA-N 0 0 326.404 1.445 10 0 EDAERN CC(C)C[C@H](NC(=O)NC1CCCCC1)C(=O)N1CCOCC1 ZINC000036106687 202316904 /nfs/dbraw/zinc/31/69/04/202316904.db2.gz JHFUUVOTVHROBE-HNNXBMFYSA-N 0 0 325.453 1.892 10 0 EDAERN C[C@H]1CSCCN1S(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000070222573 202321835 /nfs/dbraw/zinc/32/18/35/202321835.db2.gz IRBIXGGIPPGXIF-QMMMGPOBSA-N 0 0 334.463 1.586 10 0 EDAERN Nc1ccc(S(=O)(=O)NC2CCOCC2)c(Br)c1 ZINC000036319089 202322252 /nfs/dbraw/zinc/32/22/52/202322252.db2.gz TZZAYFVDGAPKRG-UHFFFAOYSA-N 0 0 335.223 1.489 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N1CCCO[C@@H](C)C1 ZINC000070431684 202334069 /nfs/dbraw/zinc/33/40/69/202334069.db2.gz CVFOXQBMODTCRE-NSHDSACASA-N 0 0 328.459 1.429 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N[C@@H]1CCCN(C)C1 ZINC000070431521 202334512 /nfs/dbraw/zinc/33/45/12/202334512.db2.gz DMGHWBBKHANFPJ-GFCCVEGCSA-N 0 0 327.475 1.002 10 0 EDAERN CCOCCCNS(=O)(=O)c1ccc(Br)cc1N ZINC000037063330 202335820 /nfs/dbraw/zinc/33/58/20/202335820.db2.gz QWXCUPZOFFJQEH-UHFFFAOYSA-N 0 0 337.239 1.736 10 0 EDAERN O=C(CN1CCS(=O)(=O)CC1)c1cc(Cl)sc1Cl ZINC000037339377 202339343 /nfs/dbraw/zinc/33/93/43/202339343.db2.gz BATRPDONRQMNNT-UHFFFAOYSA-N 0 0 328.242 1.968 10 0 EDAERN CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2Br)C1 ZINC000071392342 202349678 /nfs/dbraw/zinc/34/96/78/202349678.db2.gz AVJXJACLXPHYNH-LDYMZIIASA-N 0 0 343.177 1.463 10 0 EDAERN COCCN(CCC(N)=S)S(=O)(=O)c1ccc(Cl)s1 ZINC000071225280 202342973 /nfs/dbraw/zinc/34/29/73/202342973.db2.gz KUJAGEGPEPQXGF-UHFFFAOYSA-N 0 0 342.895 1.715 10 0 EDAERN CS(=O)(=O)CCNc1ccccc1I ZINC000037743412 202358288 /nfs/dbraw/zinc/35/82/88/202358288.db2.gz XLJJJWKUXYTASU-UHFFFAOYSA-N 0 0 325.171 1.748 10 0 EDAERN COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cnc(Cl)s1 ZINC000038107237 202394212 /nfs/dbraw/zinc/39/42/12/202394212.db2.gz GMWZSHDHPGULOA-ZETCQYMHSA-N 0 0 326.827 1.663 10 0 EDAERN CCOC(=O)CN(C(C)C)S(=O)(=O)c1cnc(Cl)s1 ZINC000038110587 202395115 /nfs/dbraw/zinc/39/51/15/202395115.db2.gz GJHVNWDLHIKKCQ-UHFFFAOYSA-N 0 0 326.827 1.759 10 0 EDAERN CCN(CC)C(=O)c1cc(NC(=O)c2ccncc2)c(=O)n(C)c1 ZINC000038492185 202403017 /nfs/dbraw/zinc/40/30/17/202403017.db2.gz ISZSHBQCBRDVRP-UHFFFAOYSA-N 0 0 328.372 1.515 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000184246777 138793143 /nfs/dbraw/zinc/79/31/43/138793143.db2.gz IVFWRWMGXZPFNL-INIZCTEOSA-N 0 0 343.431 1.384 10 0 EDAERN CCCNC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C)cc1 ZINC000041229195 202477409 /nfs/dbraw/zinc/47/74/09/202477409.db2.gz YZZSJEXOZKCVKP-LBPRGKRZSA-N 0 0 326.418 1.236 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cncnc2N(C)C)cc1F ZINC000184479783 138795253 /nfs/dbraw/zinc/79/52/53/138795253.db2.gz ZGYRNWZJEFAUHO-NSHDSACASA-N 0 0 345.378 1.806 10 0 EDAERN CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C)c1 ZINC000041228589 202478198 /nfs/dbraw/zinc/47/81/98/202478198.db2.gz IINNLKLXEYSXCY-OLZOCXBDSA-N 0 0 340.445 1.624 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)C1 ZINC000185269158 138803487 /nfs/dbraw/zinc/80/34/87/138803487.db2.gz CAQMWZKOTOVGLF-ZDUSSCGKSA-N 0 0 348.443 1.725 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)c1 ZINC000114864121 201072059 /nfs/dbraw/zinc/07/20/59/201072059.db2.gz OJIOBVIKTQXXFI-CQSZACIVSA-N 0 0 341.415 1.934 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000118115557 201077863 /nfs/dbraw/zinc/07/78/63/201077863.db2.gz FIAIXMWZINHZER-OAHLLOKOSA-N 0 0 333.432 1.369 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1F ZINC000119303657 201080056 /nfs/dbraw/zinc/08/00/56/201080056.db2.gz GHNKEURQXDYNDP-ZDUSSCGKSA-N 0 0 331.351 1.569 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000041600702 201093901 /nfs/dbraw/zinc/09/39/01/201093901.db2.gz JGSYYXWWCDOATH-LBPRGKRZSA-N 0 0 339.823 1.424 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccnc2-n2cccn2)o1 ZINC000070757115 201169131 /nfs/dbraw/zinc/16/91/31/201169131.db2.gz RPNAKQGJMICQQI-LBPRGKRZSA-N 0 0 339.355 1.985 10 0 EDAERN O=C(NCc1sccc1Br)[C@H]1Cc2[nH]cnc2CN1 ZINC000148240974 201201417 /nfs/dbraw/zinc/20/14/17/201201417.db2.gz WLOWFYNYOVAQDQ-SECBINFHSA-N 0 0 341.234 1.564 10 0 EDAERN C[C@H]([NH3+])C(=O)N[C@@H](COC(=O)CCCCC1CCCCC1)C(=O)[O-] ZINC000090636408 201371898 /nfs/dbraw/zinc/37/18/98/201371898.db2.gz TVZQGTQERNGWRH-JSGCOSHPSA-N 0 0 342.436 1.587 10 0 EDAERN CC[C@@H]1C(=O)NC(=O)CN1C(=O)c1cccc(F)c1Br ZINC000155966813 201397648 /nfs/dbraw/zinc/39/76/48/201397648.db2.gz UCPFRSZOFSGNAK-SECBINFHSA-N 0 0 343.152 1.465 10 0 EDAERN CCOC(=O)CN(C)CC(=O)Nc1cccc(Br)c1 ZINC000050066528 202631426 /nfs/dbraw/zinc/63/14/26/202631426.db2.gz ZEYNMEMDIHPGGJ-UHFFFAOYSA-N 0 0 329.194 1.883 10 0 EDAERN CC[C@@H](O)c1ccc(N2CCSC[C@@H]2S(=O)(=O)CC)cn1 ZINC000162396108 201414487 /nfs/dbraw/zinc/41/44/87/201414487.db2.gz USFVWRDKAVFVDE-KGLIPLIRSA-N 0 0 330.475 1.839 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N1CC[C@@H](CO)C1 ZINC000162898886 201416722 /nfs/dbraw/zinc/41/67/22/201416722.db2.gz OQGHIYUDAZUQED-SECBINFHSA-N 0 0 328.210 1.730 10 0 EDAERN COC[C@@H](C)Cn1nnnc1-c1cc(N)cc(Br)c1 ZINC000165577329 201421134 /nfs/dbraw/zinc/42/11/34/201421134.db2.gz YEWVDWFPBINWCB-QMMMGPOBSA-N 0 0 326.198 1.967 10 0 EDAERN Nc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)c(Cl)c1 ZINC000165680670 201421802 /nfs/dbraw/zinc/42/18/02/201421802.db2.gz UUHBEJSQLXOFOT-UHFFFAOYSA-N 0 0 330.715 1.374 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3nc(-c4ccccc4F)no3)CCO2)[nH]1 ZINC000189052510 138859387 /nfs/dbraw/zinc/85/93/87/138859387.db2.gz GEDUSZOKWKXKDO-CYBMUJFWSA-N 0 0 344.350 1.876 10 0 EDAERN CC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(Br)cc1N ZINC000165769917 201422363 /nfs/dbraw/zinc/42/23/63/201422363.db2.gz VNSBQAKZTZAYBV-MRVPVSSYSA-N 0 0 349.250 1.720 10 0 EDAERN COCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000062184438 202794279 /nfs/dbraw/zinc/79/42/79/202794279.db2.gz FFMJRBHDZKNQHA-UHFFFAOYSA-N 0 0 328.434 1.402 10 0 EDAERN COCCS(=O)(=O)N1CCC[C@@H]1C(=O)c1cc(C)ccc1C ZINC000062313963 202795184 /nfs/dbraw/zinc/79/51/84/202795184.db2.gz NSKNOJIYAILHIP-OAHLLOKOSA-N 0 0 325.430 1.927 10 0 EDAERN NS(=O)(=O)c1ccc2c(c1)CN(C(=O)C[C@H]1CCCCO1)CC2 ZINC000062513609 202798869 /nfs/dbraw/zinc/79/88/69/202798869.db2.gz MVCYNRFVTJFVOC-CQSZACIVSA-N 0 0 338.429 1.178 10 0 EDAERN COc1cccc(-c2nc(C)c(C(=O)N3CC(NC(C)=O)C3)[nH]2)c1 ZINC000191480209 138915326 /nfs/dbraw/zinc/91/53/26/138915326.db2.gz BJEMCZVKPXZUTC-UHFFFAOYSA-N 0 0 328.372 1.354 10 0 EDAERN COC[C@H](NC(=O)N1CCCNC(=O)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000191546291 138917184 /nfs/dbraw/zinc/91/71/84/138917184.db2.gz FOSRCGOWMODYNN-HZMBPMFUSA-N 0 0 341.358 1.572 10 0 EDAERN O=C(Cn1cc(F)c(=O)[nH]c1=O)c1ccc(Br)s1 ZINC000070154469 203073863 /nfs/dbraw/zinc/07/38/63/203073863.db2.gz JLSSHQLBWIDNNJ-UHFFFAOYSA-N 0 0 333.138 1.383 10 0 EDAERN Cc1nn(C)c(-n2cc(I)cn2)c1C(N)=S ZINC000070677649 203079872 /nfs/dbraw/zinc/07/98/72/203079872.db2.gz DWCQZTATYVPGBQ-UHFFFAOYSA-N 0 0 347.185 1.153 10 0 EDAERN CC(=O)c1ccc(N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)cc1 ZINC000070814523 203082064 /nfs/dbraw/zinc/08/20/64/203082064.db2.gz CRPIVFROYMPTRP-UHFFFAOYSA-N 0 0 329.400 1.016 10 0 EDAERN O=C(NCC(F)(F)F)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000070816823 203082165 /nfs/dbraw/zinc/08/21/65/203082165.db2.gz NCENBIPFUHENIO-UHFFFAOYSA-N 0 0 330.262 1.166 10 0 EDAERN Nc1ccccc1C(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 ZINC000070974925 203084650 /nfs/dbraw/zinc/08/46/50/203084650.db2.gz NBRYGUHAGOYEFB-UHFFFAOYSA-N 0 0 349.398 1.207 10 0 EDAERN O=C(c1ccncc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 ZINC000070974893 203085109 /nfs/dbraw/zinc/08/51/09/203085109.db2.gz MECMCYRWAWEHCV-UHFFFAOYSA-N 0 0 335.371 1.020 10 0 EDAERN Cc1cc(NC(=O)CN2CC(C(=O)[O-])C2)ccc1Br ZINC000071173676 203086641 /nfs/dbraw/zinc/08/66/41/203086641.db2.gz OVWSDCSGBWKUKI-UHFFFAOYSA-N 0 0 327.178 1.712 10 0 EDAERN OCc1c(-n2cc(I)cn2)nc2sccn12 ZINC000070677991 203079546 /nfs/dbraw/zinc/07/95/46/203079546.db2.gz UCXRZEOJEKJIHS-UHFFFAOYSA-N 0 0 346.153 1.678 10 0 EDAERN Cc1nc2c(C)cc(Br)cn2c1C(=O)N(C)CCO ZINC000071469399 203097671 /nfs/dbraw/zinc/09/76/71/203097671.db2.gz HQUKZBPJQNDAPB-UHFFFAOYSA-N 0 0 326.194 1.778 10 0 EDAERN CCOc1cccn2c1nc(C)c2C(=O)N1CCN(C(C)=O)CC1 ZINC000071462431 203097829 /nfs/dbraw/zinc/09/78/29/203097829.db2.gz XUKANDDKLOPHQO-UHFFFAOYSA-N 0 0 330.388 1.346 10 0 EDAERN CCCOCCOC(=O)Cn1cc(C)cc(Br)c1=O ZINC000071517571 203099147 /nfs/dbraw/zinc/09/91/47/203099147.db2.gz QDIOUNQWFGVVMV-UHFFFAOYSA-N 0 0 332.194 1.889 10 0 EDAERN O=C1NCC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)N1 ZINC000071556423 203099688 /nfs/dbraw/zinc/09/96/88/203099688.db2.gz UWCVZQKVDMEPQU-UHFFFAOYSA-N 0 0 329.809 1.176 10 0 EDAERN CCOC(=O)CCN(CCCO)C(=O)COc1c(C)cccc1C ZINC000071626750 203100899 /nfs/dbraw/zinc/10/08/99/203100899.db2.gz JZKWYBDXJMNPKN-UHFFFAOYSA-N 0 0 337.416 1.846 10 0 EDAERN COC(=O)CCN(CCCNC(C)=O)C(=O)c1ccccc1Cl ZINC000071623913 203101169 /nfs/dbraw/zinc/10/11/69/203101169.db2.gz XRKGFKDYYPOJMF-UHFFFAOYSA-N 0 0 340.807 1.872 10 0 EDAERN CCOC(=O)CCN(C[C@@H](C)O)C(=O)c1cc2ccccc2oc1=O ZINC000071638085 203101220 /nfs/dbraw/zinc/10/12/20/203101220.db2.gz DWIWOPYVEQSBQE-GFCCVEGCSA-N 0 0 347.367 1.569 10 0 EDAERN CC[C@@H](C)N(CCC(=O)OC)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000071622739 203101318 /nfs/dbraw/zinc/10/13/18/203101318.db2.gz NJYWQPIWJMQWGR-GFCCVEGCSA-N 0 0 346.383 1.473 10 0 EDAERN COC(=O)[C@@H](C)CN(CCNC(C)=O)C(=O)NC1CCCCC1 ZINC000071623089 203101394 /nfs/dbraw/zinc/10/13/94/203101394.db2.gz ZXNVPNNHDCYJJL-LBPRGKRZSA-N 0 0 327.425 1.276 10 0 EDAERN CCOC(=O)CCN(C[C@@H](C)O)C(=O)c1ccc(F)c(F)c1F ZINC000071639810 203101789 /nfs/dbraw/zinc/10/17/89/203101789.db2.gz QELZYUXLFHIHAG-SECBINFHSA-N 0 0 333.306 1.880 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccn(-c2ccc(F)cc2)n1 ZINC000112649067 284121283 /nfs/dbraw/zinc/12/12/83/284121283.db2.gz BRTUCXXSRUPYEW-GFCCVEGCSA-N 0 0 326.335 1.348 10 0 EDAERN CCCc1cc(C(=O)NCc2cc(N3CCOCC3)ncn2)no1 ZINC000072454700 203228140 /nfs/dbraw/zinc/22/81/40/203228140.db2.gz ZTMADMIHYPPYKX-UHFFFAOYSA-N 0 0 331.376 1.184 10 0 EDAERN CCOC(=O)CSc1nc2ncc3c(n2n1)CC(C)(C)CC3=O ZINC000072466862 203229373 /nfs/dbraw/zinc/22/93/73/203229373.db2.gz RONQIVWKIWOACQ-UHFFFAOYSA-N 0 0 334.401 1.935 10 0 EDAERN CNC(=O)NC(=O)[C@H](C)Nc1cccc(Br)c1COC ZINC000040491709 203259578 /nfs/dbraw/zinc/25/95/78/203259578.db2.gz WWKWNSFUZUBFMH-QMMMGPOBSA-N 0 0 344.209 1.852 10 0 EDAERN O=C(NCCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)C1CC1 ZINC000073498575 203266141 /nfs/dbraw/zinc/26/61/41/203266141.db2.gz PRBWSTXNUULDQL-IAGOWNOFSA-N 0 0 345.443 1.810 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000075510052 203316676 /nfs/dbraw/zinc/31/66/76/203316676.db2.gz CUCBRCUBNCXVPH-XVKPBYJWSA-N 0 0 332.219 1.991 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000077148258 203373419 /nfs/dbraw/zinc/37/34/19/203373419.db2.gz PCMMHDRWEIXIMR-AAEUAGOBSA-N 0 0 347.383 1.964 10 0 EDAERN CCC1CCC(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000078233634 203413752 /nfs/dbraw/zinc/41/37/52/203413752.db2.gz HNKOYAFKPUFHLP-UHFFFAOYSA-N 0 0 337.445 1.569 10 0 EDAERN CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000081486011 203481468 /nfs/dbraw/zinc/48/14/68/203481468.db2.gz MQSHUMSOKFZIJP-CVEARBPZSA-N 0 0 333.432 1.787 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](c2nncn2C)C1)C(C)C ZINC000193904305 138981211 /nfs/dbraw/zinc/98/12/11/138981211.db2.gz GGHWXXHTFHLMKQ-HOCLYGCPSA-N 0 0 349.479 1.708 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1ccsc1 ZINC000087249803 203556578 /nfs/dbraw/zinc/55/65/78/203556578.db2.gz NNIMPSBBVDMWJM-NWDGAFQWSA-N 0 0 335.433 1.770 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C)n3)CCO2)cn1 ZINC000194421188 138992177 /nfs/dbraw/zinc/99/21/77/138992177.db2.gz HUCMLXOYCHSGCV-AWEZNQCLSA-N 0 0 343.387 1.145 10 0 EDAERN CCn1nc(C)cc1C(=O)N1CC[C@@H]2O[C@@H](c3nc(C)no3)C[C@H]2C1 ZINC000096070555 203822364 /nfs/dbraw/zinc/82/23/64/203822364.db2.gz QSIKSEAVPIVLJV-AEGPPILISA-N 0 0 345.403 1.895 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)O1 ZINC000151726281 204053120 /nfs/dbraw/zinc/05/31/20/204053120.db2.gz GIHFVXCMTIAHKS-ABAIWWIYSA-N 0 0 338.354 1.817 10 0 EDAERN CN(Cc1nc2ccccc2s1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104799534 204121664 /nfs/dbraw/zinc/12/16/64/204121664.db2.gz PHNPIRHXFVEJCV-GFCCVEGCSA-N 0 0 334.445 1.768 10 0 EDAERN CCO[C@@H]1CCCN(S(=O)(=O)c2cccc(C(N)=S)c2)C1 ZINC000042425090 204095418 /nfs/dbraw/zinc/09/54/18/204095418.db2.gz HMPPKKAVXXMKNI-GFCCVEGCSA-N 0 0 328.459 1.510 10 0 EDAERN COC[C@H](O)CN(C)C(=O)/C=C/c1ccc(Br)cc1 ZINC000042501255 204101853 /nfs/dbraw/zinc/10/18/53/204101853.db2.gz ZKZUCHGIZPSJNZ-OQHXTRMZSA-N 0 0 328.206 1.928 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)N(CCO)C1CCCC1 ZINC000042516407 204102648 /nfs/dbraw/zinc/10/26/48/204102648.db2.gz INBNXEVYKCXJNS-UHFFFAOYSA-N 0 0 333.431 1.460 10 0 EDAERN COC[C@@H](O)CN(C)C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000042501438 204104644 /nfs/dbraw/zinc/10/46/44/204104644.db2.gz DJPNUCMLPQLNIK-PWSUYJOCSA-N 0 0 346.221 1.682 10 0 EDAERN COC[C@@H](O)CN(C)C(=O)COc1ccc(Br)cc1 ZINC000042503681 204104986 /nfs/dbraw/zinc/10/49/86/204104986.db2.gz VTIJFIAUQRKFQG-NSHDSACASA-N 0 0 332.194 1.294 10 0 EDAERN CS(=O)(=O)c1cc(N)cc(C(=O)Nc2cccnc2Cl)c1 ZINC000042806252 204147723 /nfs/dbraw/zinc/14/77/23/204147723.db2.gz VMBDSSRJNZDUEF-UHFFFAOYSA-N 0 0 325.777 1.973 10 0 EDAERN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)cc1 ZINC000194862865 139001426 /nfs/dbraw/zinc/00/14/26/139001426.db2.gz DHPRWLRFNXVMLR-CQSZACIVSA-N 0 0 330.384 1.253 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)nn1 ZINC000105800985 204161123 /nfs/dbraw/zinc/16/11/23/204161123.db2.gz GSLYFYAVIWHGKZ-IYBDPMFKSA-N 0 0 345.491 1.802 10 0 EDAERN COCCN1CCN(CC(=O)NCc2cccc(Cl)c2)C[C@H]1C ZINC000105831943 204165511 /nfs/dbraw/zinc/16/55/11/204165511.db2.gz BUAQJDKLGVBZEL-CQSZACIVSA-N 0 0 339.867 1.609 10 0 EDAERN COCCN1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000105832269 204166452 /nfs/dbraw/zinc/16/64/52/204166452.db2.gz NNYLKWMTUBXJMQ-CQSZACIVSA-N 0 0 348.447 1.236 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NCc2ccccc2F)C[C@@H]1C ZINC000105833476 204169235 /nfs/dbraw/zinc/16/92/35/204169235.db2.gz AQRIKBLAJALEQO-GJZGRUSLSA-N 0 0 337.439 1.483 10 0 EDAERN CNC(=O)c1cc(NC(=O)NC[C@@H]2CN(C)CCO2)ccc1Cl ZINC000105279615 204140394 /nfs/dbraw/zinc/14/03/94/204140394.db2.gz FYCRHQUXUITPIR-LLVKDONJSA-N 0 0 340.811 1.152 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(CNC(N)=O)cc3)C2)c1 ZINC000105858199 204171171 /nfs/dbraw/zinc/17/11/71/204171171.db2.gz UBALZIZWVIDETN-MRXNPFEDSA-N 0 0 341.415 1.837 10 0 EDAERN COc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)c(O)c1 ZINC000105868149 204171757 /nfs/dbraw/zinc/17/17/57/204171757.db2.gz JMJYIVLBQWAXFY-UHFFFAOYSA-N 0 0 328.372 1.908 10 0 EDAERN COc1cccc(C(=O)N2CCC(Nc3cccnn3)CC2)c1O ZINC000105868138 204172346 /nfs/dbraw/zinc/17/23/46/204172346.db2.gz PAOZIXSLFWOEFE-UHFFFAOYSA-N 0 0 328.372 1.908 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000105864428 204172543 /nfs/dbraw/zinc/17/25/43/204172543.db2.gz ALEBQLNQSZXVEJ-RHSMWYFYSA-N 0 0 330.432 1.660 10 0 EDAERN COc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105889507 204175751 /nfs/dbraw/zinc/17/57/51/204175751.db2.gz VVAYNRLJNGMJEI-PBHICJAKSA-N 0 0 344.415 1.620 10 0 EDAERN COC(=O)c1cccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000105891041 204175947 /nfs/dbraw/zinc/17/59/47/204175947.db2.gz OXXSFKIRSVQVOU-QGZVFWFLSA-N 0 0 329.400 1.879 10 0 EDAERN CCOc1ccccc1N1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195009470 139004391 /nfs/dbraw/zinc/00/43/91/139004391.db2.gz VBZQZDHRPLIDTH-UHFFFAOYSA-N 0 0 330.436 1.975 10 0 EDAERN CC(=O)c1c(F)cccc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000108946982 204275312 /nfs/dbraw/zinc/27/53/12/204275312.db2.gz BAGLNINKLVZNIJ-UHFFFAOYSA-N 0 0 340.362 1.793 10 0 EDAERN C[C@H](CC(=O)NCc1ccc2c(c1)OCCO2)N1CCCCC1=O ZINC000195024310 139005057 /nfs/dbraw/zinc/00/50/57/139005057.db2.gz HUNVFTWHMVRNTF-CYBMUJFWSA-N 0 0 332.400 1.865 10 0 EDAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCO[C@H](c2nccs2)C1 ZINC000110880481 204325947 /nfs/dbraw/zinc/32/59/47/204325947.db2.gz ZJKCQODOXGOGFG-KGLIPLIRSA-N 0 0 344.392 1.825 10 0 EDAERN COc1ccc(CC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1 ZINC000110899248 204326644 /nfs/dbraw/zinc/32/66/44/204326644.db2.gz ZIORPQPFWLGMJP-GOSISDBHSA-N 0 0 343.427 1.979 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)CCc3ccncc3)CCO2)n1 ZINC000110904723 204327151 /nfs/dbraw/zinc/32/71/51/204327151.db2.gz DIDVEAORSSNHJH-QGZVFWFLSA-N 0 0 328.416 1.755 10 0 EDAERN COC(=O)[C@@H](C)CN(C)C(=O)c1cc(N)ccc1Br ZINC000045624312 204328555 /nfs/dbraw/zinc/32/85/55/204328555.db2.gz DUMPDDQKIDXYQN-QMMMGPOBSA-N 0 0 329.194 1.912 10 0 EDAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC)CC(F)(F)F ZINC000047873207 204338918 /nfs/dbraw/zinc/33/89/18/204338918.db2.gz NIIAGWGWIGVORW-UHFFFAOYSA-N 0 0 329.300 1.159 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NCCn1cccn1 ZINC000049074862 204366528 /nfs/dbraw/zinc/36/65/28/204366528.db2.gz YPTDRQUQABAVAZ-UHFFFAOYSA-N 0 0 345.222 1.206 10 0 EDAERN NC(=S)c1ccccc1S(=O)(=O)NCCc1ccsc1 ZINC000049186012 204372174 /nfs/dbraw/zinc/37/21/74/204372174.db2.gz CSXOLHAMGKUQLQ-UHFFFAOYSA-N 0 0 326.468 1.903 10 0 EDAERN COc1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1F ZINC000111827072 204375446 /nfs/dbraw/zinc/37/54/46/204375446.db2.gz FWQKBYQFNPUAAB-AWEZNQCLSA-N 0 0 348.378 1.641 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(CC(=O)NCc1cccnc1)C2 ZINC000111229830 204343271 /nfs/dbraw/zinc/34/32/71/204343271.db2.gz YFUTZJWOFXSCOD-UHFFFAOYSA-N 0 0 327.432 1.613 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000195119516 139007375 /nfs/dbraw/zinc/00/73/75/139007375.db2.gz WJQDOALJIGAXBF-IAGOWNOFSA-N 0 0 332.375 1.423 10 0 EDAERN Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCc4ncnn4C3)c12 ZINC000112655561 204410050 /nfs/dbraw/zinc/41/00/50/204410050.db2.gz HIHDJJWROYNBRC-LLVKDONJSA-N 0 0 338.371 1.745 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCCc3cccc(F)c3)CCO2)c1 ZINC000112105428 204382756 /nfs/dbraw/zinc/38/27/56/204382756.db2.gz ANEMFUFWFMMFJV-QGZVFWFLSA-N 0 0 346.406 1.984 10 0 EDAERN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@H]1CNC(=O)C1 ZINC000195090241 139006643 /nfs/dbraw/zinc/00/66/43/139006643.db2.gz PJHZGXVIPHRSMC-KDOFPFPSSA-N 0 0 334.379 1.905 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1 ZINC000113205400 204433134 /nfs/dbraw/zinc/43/31/34/204433134.db2.gz NIWNBHGTEGKHPB-NSHDSACASA-N 0 0 345.490 1.303 10 0 EDAERN Cc1sc(=O)n(CC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1C ZINC000195285559 139012484 /nfs/dbraw/zinc/01/24/84/139012484.db2.gz ATBGACHZJMZQEB-GFCCVEGCSA-N 0 0 349.460 1.373 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3c(F)cccc3F)C2)cn1 ZINC000116587712 204535116 /nfs/dbraw/zinc/53/51/16/204535116.db2.gz JIQRKKYMDAHZFB-SNVBAGLBSA-N 0 0 334.326 1.653 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)c1nnc(-c2ccccc2)n1C ZINC000195479315 139017788 /nfs/dbraw/zinc/01/77/88/139017788.db2.gz PRSGJMMOJBLYKK-UHFFFAOYSA-N 0 0 347.404 1.023 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(F)ccc2Br)C1 ZINC000110483881 220038432 /nfs/dbraw/zinc/03/84/32/220038432.db2.gz XOWSAQSMDIUBTI-JTQLQIEISA-N 0 0 331.185 1.649 10 0 EDAERN Cc1nc(C[C@H]2CCCN(Cc3cc(=O)n4ccsc4n3)C2)no1 ZINC000195517657 139019342 /nfs/dbraw/zinc/01/93/42/139019342.db2.gz JZXAWKJUPDIYNK-GFCCVEGCSA-N 0 0 345.428 1.902 10 0 EDAERN CCN(c1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1)C(C)C ZINC000120923631 204769824 /nfs/dbraw/zinc/76/98/24/204769824.db2.gz YRZIVOVGRBICTF-INIZCTEOSA-N 0 0 333.432 1.843 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000123032923 204898169 /nfs/dbraw/zinc/89/81/69/204898169.db2.gz VPIIGSZJOMHKOF-WFASDCNBSA-N 0 0 334.445 1.873 10 0 EDAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(Cn2cccn2)CC1 ZINC000126164321 205043226 /nfs/dbraw/zinc/04/32/26/205043226.db2.gz GKLBCVPQQGBAAJ-UHFFFAOYSA-N 0 0 339.399 1.465 10 0 EDAERN C[C@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)c1nnc2n1CCCC2 ZINC000156444765 205089678 /nfs/dbraw/zinc/08/96/78/205089678.db2.gz VCYMVHWIAIIJAO-NSHDSACASA-N 0 0 337.387 1.891 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccnc2)no1 ZINC000127242792 205090446 /nfs/dbraw/zinc/09/04/46/205090446.db2.gz DJBRHULLPCMRON-LBPRGKRZSA-N 0 0 329.360 1.890 10 0 EDAERN COc1c(CN2CCC[C@@H]2C(=O)NCc2ccco2)c(C)nn1C ZINC000128216354 205138661 /nfs/dbraw/zinc/13/86/61/205138661.db2.gz PKQACZCDEIPRPY-OAHLLOKOSA-N 0 0 332.404 1.611 10 0 EDAERN CCCCN(C)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000128084368 205131497 /nfs/dbraw/zinc/13/14/97/205131497.db2.gz RCHHQKBXVMEKFM-GOSISDBHSA-N 0 0 349.475 1.346 10 0 EDAERN CCNc1ncc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)s1 ZINC000129028777 205173859 /nfs/dbraw/zinc/17/38/59/205173859.db2.gz VYGADLORGNAHKC-NSHDSACASA-N 0 0 332.433 1.764 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)SC)ncn1 ZINC000129118160 205179617 /nfs/dbraw/zinc/17/96/17/205179617.db2.gz GNPZIIXCXRZRSK-VXGBXAGGSA-N 0 0 338.481 1.538 10 0 EDAERN C[NH+](C)C[C@H]1CN([C@@H]2CCCN(c3ccccc3F)C2=O)CCO1 ZINC000157237010 205182613 /nfs/dbraw/zinc/18/26/13/205182613.db2.gz JXSICYRPBUZCNJ-WMLDXEAASA-N 0 0 335.423 1.584 10 0 EDAERN Cc1cnn(Cc2cc(C(=O)N3CCC[C@H](n4cncn4)C3)no2)c1 ZINC000131171868 205275572 /nfs/dbraw/zinc/27/55/72/205275572.db2.gz UFOQHYDHGLKDGZ-ZDUSSCGKSA-N 0 0 341.375 1.297 10 0 EDAERN COC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1C ZINC000131853132 205306069 /nfs/dbraw/zinc/30/60/69/205306069.db2.gz NNDXCNOFBMIQIN-GFCCVEGCSA-N 0 0 329.360 1.510 10 0 EDAERN O=C(NCCOc1ccc(Cl)cn1)N[C@H]1CCc2ncnn2C1 ZINC000135848856 205480293 /nfs/dbraw/zinc/48/02/93/205480293.db2.gz HLQIYXATNUWBKN-NSHDSACASA-N 0 0 336.783 1.020 10 0 EDAERN O=C(Nc1ccon1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000186028058 284385759 /nfs/dbraw/zinc/38/57/59/284385759.db2.gz VBNVSHBXRQTJEP-KGLIPLIRSA-N 0 0 329.356 1.728 10 0 EDAERN O=C([O-])C1([NH2+]CC(=O)Nc2cccc(Br)c2)CCC1 ZINC000147288800 205565784 /nfs/dbraw/zinc/56/57/84/205565784.db2.gz BMHRXROIDNNDCN-UHFFFAOYSA-N 0 0 327.178 1.985 10 0 EDAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151561058 205651559 /nfs/dbraw/zinc/65/15/59/205651559.db2.gz HMYJIRXBGWPVHZ-MAUKXSAKSA-N 0 0 341.415 1.358 10 0 EDAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000111920908 220223871 /nfs/dbraw/zinc/22/38/71/220223871.db2.gz PVESZBKUBKZWJS-ZDUSSCGKSA-N 0 0 342.399 1.430 10 0 EDAERN CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1C[C@@H]1C ZINC000052302109 205878637 /nfs/dbraw/zinc/87/86/37/205878637.db2.gz ISVDIIMNSDILTC-CABZTGNLSA-N 0 0 332.447 1.209 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000155508957 206012688 /nfs/dbraw/zinc/01/26/88/206012688.db2.gz SEJKFUKLZULTTD-ZDUSSCGKSA-N 0 0 348.852 1.142 10 0 EDAERN C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC[C@@H](n2cncn2)C1 ZINC000245827363 139087002 /nfs/dbraw/zinc/08/70/02/139087002.db2.gz PFGMSLLEMLCTNG-NWDGAFQWSA-N 0 0 334.811 1.991 10 0 EDAERN CCn1cnnc1[C@H]1CCCN([C@H](C(=O)OC)c2cccnc2)C1 ZINC000157997134 206168745 /nfs/dbraw/zinc/16/87/45/206168745.db2.gz CBZAZMBYJGWRTC-GJZGRUSLSA-N 0 0 329.404 1.787 10 0 EDAERN C[C@H](C(=O)NC(C)(C)C)n1ncc(I)cc1=O ZINC000158570219 206197892 /nfs/dbraw/zinc/19/78/92/206197892.db2.gz SJKDHONKSDFLGF-SSDOTTSWSA-N 0 0 349.172 1.324 10 0 EDAERN CSCC[C@@H](C)Nc1cnn(CCO)c(=O)c1Br ZINC000158623239 206201556 /nfs/dbraw/zinc/20/15/56/206201556.db2.gz LGVVXDSSXTYNMC-MRVPVSSYSA-N 0 0 336.255 1.552 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000159264414 206233881 /nfs/dbraw/zinc/23/38/81/206233881.db2.gz JZTPCTAENCULRE-OAHLLOKOSA-N 0 0 329.400 1.870 10 0 EDAERN COc1ccc(Br)c(Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000159392187 206242512 /nfs/dbraw/zinc/24/25/12/206242512.db2.gz LTSLRNZKYHLSIY-UHFFFAOYSA-N 0 0 346.206 1.350 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(C)c(F)c(C)c2)C[C@@H]1C ZINC000246071784 139093902 /nfs/dbraw/zinc/09/39/02/139093902.db2.gz FAEULARERXFAKX-AWEZNQCLSA-N 0 0 344.452 1.784 10 0 EDAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCCC[C@H]3O)C2)cn1 ZINC000246363081 139105702 /nfs/dbraw/zinc/10/57/02/139105702.db2.gz PWTDDRNTXGYHGD-IJEWVQPXSA-N 0 0 335.452 1.239 10 0 EDAERN CC(C)OCCNS(=O)(=O)c1ccc(Br)c(N)c1 ZINC000159880773 206268501 /nfs/dbraw/zinc/26/85/01/206268501.db2.gz XFYZQBQQKZZAOM-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000246906914 139126396 /nfs/dbraw/zinc/12/63/96/139126396.db2.gz PZQSLTSQQFMWKN-GOEBONIOSA-N 0 0 342.443 1.994 10 0 EDAERN COCCC1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000161732923 206367359 /nfs/dbraw/zinc/36/73/59/206367359.db2.gz JEJVDTZLZDNVIN-KRWDZBQOSA-N 0 0 332.444 1.681 10 0 EDAERN CC[C@H](C)NC(=O)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247130000 139136906 /nfs/dbraw/zinc/13/69/06/139136906.db2.gz KHNSXTMEKUVIST-LSDHHAIUSA-N 0 0 339.505 1.968 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192652294 296260661 /nfs/dbraw/zinc/26/06/61/296260661.db2.gz WZDNOHFBJPOIKE-LLVKDONJSA-N 0 0 338.429 1.299 10 0 EDAERN Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@@H](n2cncn2)C1 ZINC000247179123 139139182 /nfs/dbraw/zinc/13/91/82/139139182.db2.gz NLBMVAISQIRXBZ-FUHWJXTLSA-N 0 0 341.459 1.971 10 0 EDAERN CCOCCN1CCN(C(=O)CCOC[C@H]2CCCO2)C[C@@H]1C ZINC000247217451 139140982 /nfs/dbraw/zinc/14/09/82/139140982.db2.gz VDRCWTLDYPLGAG-JKSUJKDBSA-N 0 0 328.453 1.141 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cc(F)ccc2C)C[C@H]1C ZINC000247251937 139142524 /nfs/dbraw/zinc/14/25/24/139142524.db2.gz XTGMQOWQRYNKCY-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1NC(=O)CN1CCO[C@H](CO)C1 ZINC000167014879 206535974 /nfs/dbraw/zinc/53/59/74/206535974.db2.gz KILSRGAXOMYQFZ-VIFPVBQESA-N 0 0 334.203 1.207 10 0 EDAERN C[C@H]1C[C@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1 ZINC000167352233 206537369 /nfs/dbraw/zinc/53/73/69/206537369.db2.gz WCFOMAZAUIXTBG-WDSKDSINSA-N 0 0 337.195 1.075 10 0 EDAERN COC(=O)c1cccc(NC(=O)Cn2cnc3[nH]c(C)cc3c2=O)c1 ZINC000169815117 206565923 /nfs/dbraw/zinc/56/59/23/206565923.db2.gz VLPOYOSNTOKEKU-UHFFFAOYSA-N 0 0 340.339 1.458 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3n[nH]cc3C2)C12CCOCC2 ZINC000248795836 139175615 /nfs/dbraw/zinc/17/56/15/139175615.db2.gz YQALPXRKPLGTHY-NUEKZKHPSA-N 0 0 348.447 1.540 10 0 EDAERN C[C@H]1CN(S(=O)(=O)CCc2cccs2)C[C@H]1N1CCOCC1 ZINC000248985492 139182441 /nfs/dbraw/zinc/18/24/41/139182441.db2.gz VCZSTXXXQFCLEK-DZGCQCFKSA-N 0 0 344.502 1.273 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000249159381 139188146 /nfs/dbraw/zinc/18/81/46/139188146.db2.gz YDLHTGMXNWPDHN-KKUMJFAQSA-N 0 0 348.447 1.110 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCNC(=O)C(C)(C)C ZINC000249245835 139189608 /nfs/dbraw/zinc/18/96/08/139189608.db2.gz UIIGWZMOSZBEEC-MCIONIFRSA-N 0 0 338.448 1.872 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000171360349 206693742 /nfs/dbraw/zinc/69/37/42/206693742.db2.gz AOGFYDJIYUUMMO-CQSZACIVSA-N 0 0 332.404 1.698 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000249680468 139196921 /nfs/dbraw/zinc/19/69/21/139196921.db2.gz BAZZKHKZLYAYOG-USXIJHARSA-N 0 0 339.480 1.298 10 0 EDAERN O[C@@H]1CCCC[C@@H]1Nc1cc(N[C@H]2CCCC[C@H]2O)n2ncnc2n1 ZINC000251708703 139202629 /nfs/dbraw/zinc/20/26/29/139202629.db2.gz KINYZZQUBJWUNA-IGQOVBAYSA-N 0 0 346.435 1.555 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)OCC(F)(F)F)CC2)n1 ZINC000172125013 206791560 /nfs/dbraw/zinc/79/15/60/206791560.db2.gz JNEWKUOPRLBWQH-UHFFFAOYSA-N 0 0 334.298 1.696 10 0 EDAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H]1C ZINC000173166158 206899259 /nfs/dbraw/zinc/89/92/59/206899259.db2.gz CWUJKRAMJDUFEI-WFASDCNBSA-N 0 0 349.456 1.761 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000174270334 207005731 /nfs/dbraw/zinc/00/57/31/207005731.db2.gz FZYMYAIVJGMBOL-GMSGAONNSA-N 0 0 345.182 1.682 10 0 EDAERN COc1ccc(SCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174320621 207011263 /nfs/dbraw/zinc/01/12/63/207011263.db2.gz FUJUMLMGHGVPFC-ZIAGYGMSSA-N 0 0 338.473 1.701 10 0 EDAERN CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000174551341 207028706 /nfs/dbraw/zinc/02/87/06/207028706.db2.gz LMISUJGHYUCKCF-CYBMUJFWSA-N 0 0 349.416 1.551 10 0 EDAERN CN[C@@H](C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1cnn(C)c1 ZINC000262235715 139262389 /nfs/dbraw/zinc/26/23/89/139262389.db2.gz QWNSHRCKQQGZKK-YVEFUNNKSA-N 0 0 346.431 1.884 10 0 EDAERN CC[C@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccncc1 ZINC000175292640 207112816 /nfs/dbraw/zinc/11/28/16/207112816.db2.gz XCTLBNXXRHKQFH-HOTGVXAUSA-N 0 0 329.404 1.840 10 0 EDAERN CC[C@@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccncc1 ZINC000175292658 207113297 /nfs/dbraw/zinc/11/32/97/207113297.db2.gz XCTLBNXXRHKQFH-JKSUJKDBSA-N 0 0 329.404 1.840 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c1 ZINC000176060265 207187013 /nfs/dbraw/zinc/18/70/13/207187013.db2.gz POKUXDROVKCSHH-UHFFFAOYSA-N 0 0 333.367 1.854 10 0 EDAERN O=C(C[C@@H]1CCCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176293888 207212412 /nfs/dbraw/zinc/21/24/12/207212412.db2.gz CHRPWARXNCORLT-ZWKOTPCHSA-N 0 0 332.444 1.823 10 0 EDAERN CN[C@@H](C(=O)NC[C@@H](O)c1c(F)cccc1Cl)c1cnn(C)c1 ZINC000262490926 139282173 /nfs/dbraw/zinc/28/21/73/139282173.db2.gz HRBYFYDXPPAEHO-TZMCWYRMSA-N 0 0 340.786 1.323 10 0 EDAERN CCc1ccc([C@H](COC)NC(=O)N[C@@H]2CCCn3ncnc32)o1 ZINC000176549211 207237022 /nfs/dbraw/zinc/23/70/22/207237022.db2.gz PHXHVOSAHHQBMN-OLZOCXBDSA-N 0 0 333.392 1.955 10 0 EDAERN CN[C@@H](C(=O)NCC(=O)Nc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000262584490 139288425 /nfs/dbraw/zinc/28/84/25/139288425.db2.gz VBZQVGGOBORUPU-CQSZACIVSA-N 0 0 335.795 1.089 10 0 EDAERN O=C(CNC(=O)N[C@H]1CCCn2ncnc21)OCc1ccccc1 ZINC000177337713 207322865 /nfs/dbraw/zinc/32/28/65/207322865.db2.gz VYAIWUFHQLNAMS-ZDUSSCGKSA-N 0 0 329.360 1.156 10 0 EDAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177396138 207331472 /nfs/dbraw/zinc/33/14/72/207331472.db2.gz XULCJEOFXGOOKH-INIZCTEOSA-N 0 0 343.427 1.647 10 0 EDAERN CCOC(=O)c1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177343625 207324004 /nfs/dbraw/zinc/32/40/04/207324004.db2.gz GQEAAHJBKMUIRC-AWEZNQCLSA-N 0 0 343.387 1.789 10 0 EDAERN COCCc1noc(CN(C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000177450192 207338537 /nfs/dbraw/zinc/33/85/37/207338537.db2.gz GDUHYRSCMBYHNO-CYBMUJFWSA-N 0 0 346.387 1.924 10 0 EDAERN COc1ccc(CCC(=O)N[C@H]2CCCn3ncnc32)cc1OC ZINC000177535026 207349607 /nfs/dbraw/zinc/34/96/07/207349607.db2.gz QYRWZKZCGHVMTD-ZDUSSCGKSA-N 0 0 330.388 1.879 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@H](n3cc(C)cn3)C2)n(C)n1 ZINC000177665050 207372469 /nfs/dbraw/zinc/37/24/69/207372469.db2.gz VYDHLAZAPZERMP-AWEZNQCLSA-N 0 0 344.419 1.290 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCO3)C[C@H]1N1CCOCC1 ZINC000177742462 207386320 /nfs/dbraw/zinc/38/63/20/207386320.db2.gz UVVITLPMMKLSKK-CZUORRHYSA-N 0 0 331.416 1.806 10 0 EDAERN Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c(C)c1 ZINC000176098004 291813245 /nfs/dbraw/zinc/81/32/45/291813245.db2.gz JCTSFCKXQQMTSY-CYBMUJFWSA-N 0 0 327.388 1.793 10 0 EDAERN CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000263070309 139320804 /nfs/dbraw/zinc/32/08/04/139320804.db2.gz JNZBHQZZNFYZGT-UONOGXRCSA-N 0 0 336.461 1.552 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCCCCOC)CC2)cn1 ZINC000112715621 220383974 /nfs/dbraw/zinc/38/39/74/220383974.db2.gz CAKHQFKIXZCKES-UHFFFAOYSA-N 0 0 337.468 1.547 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1csc(-c2cnccn2)n1 ZINC000187636583 533127188 /nfs/dbraw/zinc/12/71/88/533127188.db2.gz YDJJTBBPVXOQLX-OAHLLOKOSA-N 0 0 332.385 1.768 10 0 EDAERN Cc1ccc2c(c1)[C@H](N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)[C@H](C)C2 ZINC000263528016 139346554 /nfs/dbraw/zinc/34/65/54/139346554.db2.gz UYEWTGQDASLBBJ-SIXWZSSISA-N 0 0 332.444 1.946 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)CC2 ZINC000114867161 220770974 /nfs/dbraw/zinc/77/09/74/220770974.db2.gz SGXXGAGMPAKZLV-YPMHNXCESA-N 0 0 332.379 1.878 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C ZINC000117278195 221040976 /nfs/dbraw/zinc/04/09/76/221040976.db2.gz NVUWTBGSOLEXEM-LLVKDONJSA-N 0 0 325.434 1.030 10 0 EDAERN CCC(CC)N1C[C@H](C(=O)N2CCN(CCOC)[C@H](C)C2)CC1=O ZINC000117285861 221044239 /nfs/dbraw/zinc/04/42/39/221044239.db2.gz UXNAWDOEHWWGFE-HUUCEWRRSA-N 0 0 339.480 1.203 10 0 EDAERN CC[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CC[N@@H+]1CCOC ZINC000117324973 221053837 /nfs/dbraw/zinc/05/38/37/221053837.db2.gz SMKFWHNEPLWVSA-OAHLLOKOSA-N 0 0 345.447 1.516 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)c2)CCN1CCOC ZINC000117526514 221074143 /nfs/dbraw/zinc/07/41/43/221074143.db2.gz YCVLPFGZFHVSOM-KRWDZBQOSA-N 0 0 347.459 1.811 10 0 EDAERN Cc1cnn(CCNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000117819273 221093048 /nfs/dbraw/zinc/09/30/48/221093048.db2.gz DBCALNWOSQJHHH-UHFFFAOYSA-N 0 0 348.428 1.062 10 0 EDAERN COCCN1CCN(C(=O)NCC2(CCOC)CCC2)C[C@@H]1C ZINC000119494389 221333336 /nfs/dbraw/zinc/33/33/36/221333336.db2.gz IJURJAWWKVPPKV-HNNXBMFYSA-N 0 0 327.469 1.555 10 0 EDAERN O=S1(=O)CCN2CCN(c3nc(C(F)(F)F)cs3)C[C@@H]2C1 ZINC000521398457 257928845 /nfs/dbraw/zinc/92/88/45/257928845.db2.gz HNKHHGZLIKLQLA-MRVPVSSYSA-N 0 0 341.380 1.081 10 0 EDAERN Clc1nc(-n2cc(Br)cn2)nc(N2CCOCC2)n1 ZINC000061543001 132805169 /nfs/dbraw/zinc/80/51/69/132805169.db2.gz MRVKEVMGUKNKLR-UHFFFAOYSA-N 0 0 345.588 1.310 10 0 EDAERN O=C1Cc2cc(S(=O)(=O)N3CC[C@@H](O)c4ccccc43)ccc2N1 ZINC000062552766 132805730 /nfs/dbraw/zinc/80/57/30/132805730.db2.gz RUEXUSLYOYROBG-MRXNPFEDSA-N 0 0 344.392 1.814 10 0 EDAERN COc1cccc(N2C(=O)CN(C(=O)c3ccnn3C)C[C@H]2C)c1 ZINC000014985752 135706417 /nfs/dbraw/zinc/70/64/17/135706417.db2.gz AJIBTTIZUHZMJP-GFCCVEGCSA-N 0 0 328.372 1.306 10 0 EDAERN Cc1sc(=O)n(CC(=O)N2CCN[C@H](c3cccnc3)C2)c1C ZINC000328654855 140667864 /nfs/dbraw/zinc/66/78/64/140667864.db2.gz MEDXEJPQMUSOKN-AWEZNQCLSA-N 0 0 332.429 1.095 10 0 EDAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCN(C2CC2)C(=O)C1 ZINC000328656131 140667953 /nfs/dbraw/zinc/66/79/53/140667953.db2.gz NMNBFDZLUCXECT-AWEZNQCLSA-N 0 0 345.424 1.972 10 0 EDAERN COc1ccc2c(c1)OCCN(C(=O)c1cn([C@H]3CCOC3)nn1)C2 ZINC000328723425 140672603 /nfs/dbraw/zinc/67/26/03/140672603.db2.gz YBEALUNNCQHJQW-ZDUSSCGKSA-N 0 0 344.371 1.283 10 0 EDAERN O=S(=O)(c1cnc2ccc(F)cc2c1)N1C[C@@H](F)C[C@H]1CO ZINC000329263929 140703861 /nfs/dbraw/zinc/70/38/61/140703861.db2.gz GNLROVOGYSOGLF-RYUDHWBXSA-N 0 0 328.340 1.467 10 0 EDAERN Cc1nc(C)n(C[C@H]2CN(C(=O)C[C@@H]3CCCCNC3=O)CCO2)n1 ZINC000329298743 140705746 /nfs/dbraw/zinc/70/57/46/140705746.db2.gz UTEDRMULNQCKAC-LSDHHAIUSA-N 0 0 349.435 1.269 10 0 EDAERN O=C(Cn1cc2ccccc2n1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000330164038 140809857 /nfs/dbraw/zinc/80/98/57/140809857.db2.gz SWRORWUOIKVFLB-CQSZACIVSA-N 0 0 327.306 1.952 10 0 EDAERN CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN2C)cc1)C1CCOCC1 ZINC000330172223 140810920 /nfs/dbraw/zinc/81/09/20/140810920.db2.gz GFUBDPRHYJEJKV-KRWDZBQOSA-N 0 0 345.443 1.970 10 0 EDAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N=c1nc[nH]n1C(C)(C)C ZINC000333019189 141251157 /nfs/dbraw/zinc/25/11/57/141251157.db2.gz DANMGMLPBYCGOS-CHWSQXEVSA-N 0 0 328.420 1.561 10 0 EDAERN Cc1nc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)sc1C ZINC000333256965 141288404 /nfs/dbraw/zinc/28/84/04/141288404.db2.gz LLIMSNNXVGOKJA-ZDUSSCGKSA-N 0 0 339.442 1.997 10 0 EDAERN O=C(NC1CCCCC1)N1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000333302224 141295776 /nfs/dbraw/zinc/29/57/76/141295776.db2.gz LYYNRXFYEYXUBJ-INIZCTEOSA-N 0 0 334.464 1.410 10 0 EDAERN COCCn1cc2c(n1)[C@H](NC(=O)N(C)CC1CC(O)C1)CCC2 ZINC000333343784 141302650 /nfs/dbraw/zinc/30/26/50/141302650.db2.gz PSUFIIAVSJILMA-PESDSKBTSA-N 0 0 336.436 1.319 10 0 EDAERN Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)CCO1 ZINC000333422631 141315734 /nfs/dbraw/zinc/31/57/34/141315734.db2.gz IRMNWPASYJZCDE-WFASDCNBSA-N 0 0 340.387 1.352 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H](C)CO[C@@H]2CCOC2)C[C@@]12CCCO2 ZINC000333628518 141347437 /nfs/dbraw/zinc/34/74/37/141347437.db2.gz QQZNRVIJMFAANY-AIANPOQGSA-N 0 0 326.437 1.779 10 0 EDAERN C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1CCN2C(=O)NC[C@H]2C1 ZINC000333746423 141371938 /nfs/dbraw/zinc/37/19/38/141371938.db2.gz SCPUVTJOLOVHNE-FZMZJTMJSA-N 0 0 345.378 1.570 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCC([C@@H](C)O)CC2)cn1 ZINC000333770397 141378120 /nfs/dbraw/zinc/37/81/20/141378120.db2.gz XTBFJHWXTUSVQH-UHOFOFEASA-N 0 0 336.436 1.535 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cnn4c3CCCC4)CC2)no1 ZINC000179088898 148946378 /nfs/dbraw/zinc/94/63/78/148946378.db2.gz MKNVTZBDYMFMHP-UHFFFAOYSA-N 0 0 344.419 1.259 10 0 EDAERN CO[C@H]1C[C@@H](C(=O)N2CCOC[C@H]2c2nc(C)cs2)N(C)C1 ZINC000329018151 286083708 /nfs/dbraw/zinc/08/37/08/286083708.db2.gz GZIOUKXYVKPWJM-AVGNSLFASA-N 0 0 325.434 1.071 10 0 EDAERN C[C@@H](NC(=O)NCCCS(=O)(=O)c1ccccc1)[C@H]1CCCO1 ZINC000066893343 287244563 /nfs/dbraw/zinc/24/45/63/287244563.db2.gz WUZFEUWMQSFQDJ-UKRRQHHQSA-N 0 0 340.445 1.717 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3ncc(C)s3)CCO2)[nH]1 ZINC000119354415 287351791 /nfs/dbraw/zinc/35/17/91/287351791.db2.gz PTJPFLVTULXAHD-SNVBAGLBSA-N 0 0 336.421 1.415 10 0 EDAERN Cc1ccn(-c2ccccc2CNC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000119622588 287354515 /nfs/dbraw/zinc/35/45/15/287354515.db2.gz GVRGDOHSRKSLAU-MRXNPFEDSA-N 0 0 343.431 1.311 10 0 EDAERN C[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1cccc(-n2ccnc2)c1 ZINC000121449188 287371143 /nfs/dbraw/zinc/37/11/43/287371143.db2.gz ABONRWSEJAVXOH-LBPRGKRZSA-N 0 0 337.383 1.801 10 0 EDAERN O=S(=O)(N1CC=C(C(F)(F)F)CC1)N1CCC[C@@H](CO)C1 ZINC000167375690 226188499 /nfs/dbraw/zinc/18/84/99/226188499.db2.gz BGNIOVWCOVOMLS-SNVBAGLBSA-N 0 0 328.356 1.130 10 0 EDAERN Nc1ccc(NC(=O)[C@@H]2CCCCS2(=O)=O)c(Br)c1 ZINC000167832757 226199662 /nfs/dbraw/zinc/19/96/62/226199662.db2.gz URHSEEAPHDHTDD-NSHDSACASA-N 0 0 347.234 1.937 10 0 EDAERN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCOC[C@@H]1CO ZINC000168647756 226221100 /nfs/dbraw/zinc/22/11/00/226221100.db2.gz RUVQFHHESWBKLF-JTQLQIEISA-N 0 0 325.308 1.087 10 0 EDAERN C[C@@H]1NC(=O)[C@@H](C2CC2)N(Cc2ccc(Br)cn2)C1=O ZINC000168878123 226224620 /nfs/dbraw/zinc/22/46/20/226224620.db2.gz PJZPKUYNZSTIOW-QPUJVOFHSA-N 0 0 338.205 1.470 10 0 EDAERN COc1cccc(OC)c1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000121171119 221776605 /nfs/dbraw/zinc/77/66/05/221776605.db2.gz MQVODEHSGFIBBW-AWEZNQCLSA-N 0 0 344.415 1.777 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000121286194 221807259 /nfs/dbraw/zinc/80/72/59/221807259.db2.gz BWDLNQGOTHBXEL-MRXNPFEDSA-N 0 0 329.400 1.241 10 0 EDAERN CCC[C@H](CCO)CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122549282 222109743 /nfs/dbraw/zinc/10/97/43/222109743.db2.gz BOQOUNOMSWJFFP-CHWSQXEVSA-N 0 0 339.440 1.357 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCc3c2cccc3Cl)C1 ZINC000128619453 287461187 /nfs/dbraw/zinc/46/11/87/287461187.db2.gz VEGOCHQFXBGODZ-GFCCVEGCSA-N 0 0 349.818 1.356 10 0 EDAERN Cc1nccn1CCCN(C)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000122804992 222162586 /nfs/dbraw/zinc/16/25/86/222162586.db2.gz DQQAKEPGYJLHIV-CYBMUJFWSA-N 0 0 345.451 1.912 10 0 EDAERN O=C(CSCc1cscn1)N1CCC[C@H](Cn2cncn2)C1 ZINC000123468796 222282742 /nfs/dbraw/zinc/28/27/42/222282742.db2.gz ORNQNAVBUWDHEJ-LBPRGKRZSA-N 0 0 337.474 1.907 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3n[nH]c4c3CCCC4)CC2)no1 ZINC000171863771 227323000 /nfs/dbraw/zinc/32/30/00/227323000.db2.gz AMTCURJAGGOZPL-UHFFFAOYSA-N 0 0 344.419 1.328 10 0 EDAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)N(C)c1ccccc1 ZINC000188797067 272959704 /nfs/dbraw/zinc/95/97/04/272959704.db2.gz QLYNWVXAGGTXJS-AWEZNQCLSA-N 0 0 344.459 1.821 10 0 EDAERN CCCCOC[C@H](O)CN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000193378988 272992010 /nfs/dbraw/zinc/99/20/10/272992010.db2.gz WOCUVFNVHNPGFT-LSDHHAIUSA-N 0 0 340.468 1.488 10 0 EDAERN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 ZINC000193639182 272997490 /nfs/dbraw/zinc/99/74/90/272997490.db2.gz MDPMDGJNHXBUOS-NSHDSACASA-N 0 0 337.401 1.525 10 0 EDAERN C[C@@H](NC(=O)N1CCN(C(=O)c2ccccn2)CC1)[C@H]1CCCO1 ZINC000194130302 273000643 /nfs/dbraw/zinc/00/06/43/273000643.db2.gz OGBNMPGBEBBKCW-UKRRQHHQSA-N 0 0 332.404 1.117 10 0 EDAERN Cc1cc(CNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)on1 ZINC000194651276 273004576 /nfs/dbraw/zinc/00/45/76/273004576.db2.gz WASCAOMVIKQXKJ-SNVBAGLBSA-N 0 0 338.389 1.191 10 0 EDAERN COc1cccc(F)c1[C@H](C)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000175002618 267549199 /nfs/dbraw/zinc/54/91/99/267549199.db2.gz ORQPVMDYABDQEA-OLZOCXBDSA-N 0 0 339.411 1.915 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000195405976 267902751 /nfs/dbraw/zinc/90/27/51/267902751.db2.gz UBVQNISRHBMEOF-LBPRGKRZSA-N 0 0 330.388 1.377 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3cc(C)ccc3O)CC2)n1 ZINC000105870868 272920422 /nfs/dbraw/zinc/92/04/22/272920422.db2.gz KLNCGFRBIFUQRN-UHFFFAOYSA-N 0 0 342.399 1.852 10 0 EDAERN O=C(NCCOc1ccc(F)cc1F)N[C@@H]1CCCn2ncnc21 ZINC000177367570 272940762 /nfs/dbraw/zinc/94/07/62/272940762.db2.gz ISMCOWZQXNRIFR-GFCCVEGCSA-N 0 0 337.330 1.769 10 0 EDAERN CN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccc(Cl)cc1 ZINC000035048284 273824060 /nfs/dbraw/zinc/82/40/60/273824060.db2.gz ZCVIGPNEWMFYRI-UHFFFAOYSA-N 0 0 334.767 1.410 10 0 EDAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000249616177 287812313 /nfs/dbraw/zinc/81/23/13/287812313.db2.gz SUTMVNQCHZOOBE-UOJCXKCYSA-N 0 0 343.427 1.237 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2OCCc3ccccc32)C[C@@H]1C ZINC000246250853 276319798 /nfs/dbraw/zinc/31/97/98/276319798.db2.gz JKNQEZLIRHWZEV-MAUKXSAKSA-N 0 0 332.444 1.870 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 ZINC000333738819 277045336 /nfs/dbraw/zinc/04/53/36/277045336.db2.gz QUZNOAFAWFSIHQ-SNVBAGLBSA-N 0 0 334.405 1.666 10 0 EDAERN CC(C)(C)OC(=O)N1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1 ZINC000096032944 277189070 /nfs/dbraw/zinc/18/90/70/277189070.db2.gz RBQBODIFHSSVNQ-ZDUSSCGKSA-N 0 0 331.372 1.700 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]12 ZINC000248630843 277203130 /nfs/dbraw/zinc/20/31/30/277203130.db2.gz WHKHDCSGPGHFNB-JHJVBQTASA-N 0 0 332.466 1.266 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000215873956 278202584 /nfs/dbraw/zinc/20/25/84/278202584.db2.gz CUMFVNMMEHHVTH-HZPDHXFCSA-N 0 0 338.429 1.977 10 0 EDAERN CCN(C)C(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000187251142 279020007 /nfs/dbraw/zinc/02/00/07/279020007.db2.gz CVCAYSDSVDSQRG-WMLDXEAASA-N 0 0 331.416 1.191 10 0 EDAERN C[C@H](C(=O)NCCN1CCc2ccccc2C1=O)N1CCSCC1 ZINC000188262591 279223882 /nfs/dbraw/zinc/22/38/82/279223882.db2.gz MPAUWQIEIFKGNN-CQSZACIVSA-N 0 0 347.484 1.238 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@](C)(O)C(C)C)C12CCOCC2 ZINC000248569975 279807762 /nfs/dbraw/zinc/80/77/62/279807762.db2.gz LIKOENYKMOJUHQ-IIAWOOMASA-N 0 0 328.453 1.667 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC(C)(C)N2CCOCC2)C[C@@]12CCCO2 ZINC000333957486 280043871 /nfs/dbraw/zinc/04/38/71/280043871.db2.gz IDEWUGCCUJTXNU-YJBOKZPZSA-N 0 0 339.480 1.696 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)C[C@@]12CCCO2 ZINC000333630288 280050950 /nfs/dbraw/zinc/05/09/50/280050950.db2.gz BEMONLLYAINPIN-CVYDXHPNSA-N 0 0 339.480 1.695 10 0 EDAERN CC(C)[C@@H]1N(S(=O)(=O)N2CCOC(C)(C)C2)C[C@]12CCCO2 ZINC000328856398 280064751 /nfs/dbraw/zinc/06/47/51/280064751.db2.gz UFYZZWKBGZWORZ-DZGCQCFKSA-N 0 0 332.466 1.231 10 0 EDAERN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCOC[C@H]3C(N)=O)c2c1 ZINC000180267831 281153073 /nfs/dbraw/zinc/15/30/73/281153073.db2.gz HLIVEFSSZXOVQJ-KRWDZBQOSA-N 0 0 339.395 1.747 10 0 EDAERN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000132895552 288305037 /nfs/dbraw/zinc/30/50/37/288305037.db2.gz NGTPOKMJGJVCSJ-GHMZBOCLSA-N 0 0 328.459 1.460 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCC(CO)CC2)[C@@H]1c1ccccc1 ZINC000178612459 289800706 /nfs/dbraw/zinc/80/07/06/289800706.db2.gz LGRCWHGNMUNACP-WMZOPIPTSA-N 0 0 330.428 1.827 10 0 EDAERN CNC(=O)C1CCC(NC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)CC1 ZINC000333739342 290355516 /nfs/dbraw/zinc/35/55/16/290355516.db2.gz LFBAGVUUWYWZNN-PPPKJHQXSA-N 0 0 337.464 1.890 10 0 EDAERN C[C@H]1CN(C(=O)c2ncccc2OCC(F)F)C[C@]2(CCOC2)O1 ZINC000330062416 300208798 /nfs/dbraw/zinc/20/87/98/300208798.db2.gz PFROCSSKZVXRRR-ZBEGNZNMSA-N 0 0 342.342 1.746 10 0 EDAERN C[S@](=O)CCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000172032588 300886312 /nfs/dbraw/zinc/88/63/12/300886312.db2.gz JUORVALUZVBKER-YZIJFISFSA-N 0 0 335.491 1.070 10 0 EDAERN Cc1cn2c(ncc(C(=O)N[C@H]3CCCn4nc(C)nc43)c2=O)s1 ZINC000092949417 302326790 /nfs/dbraw/zinc/32/67/90/302326790.db2.gz RUVPRPAVXHDZKQ-NSHDSACASA-N 0 0 344.400 1.229 10 0 EDAERN Nc1nccnc1C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176447959 303505859 /nfs/dbraw/zinc/50/58/59/303505859.db2.gz UQKDXPROXLLHCV-LLVKDONJSA-N 0 0 327.392 1.354 10 0 EDAERN Cc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc32)o1 ZINC000000212826 440806542 /nfs/dbraw/zinc/80/65/42/440806542.db2.gz QQBSUXPJGDPGOR-UHFFFAOYSA-N 0 0 349.368 1.604 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000043944722 440811754 /nfs/dbraw/zinc/81/17/54/440811754.db2.gz IBECDWBRVXBOES-LLVKDONJSA-N 0 0 326.356 1.934 10 0 EDAERN COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)C)cc1 ZINC000045677051 441017707 /nfs/dbraw/zinc/01/77/07/441017707.db2.gz UFGSXBPQICTLIS-LBPRGKRZSA-N 0 0 328.434 1.386 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000097597226 441141732 /nfs/dbraw/zinc/14/17/32/441141732.db2.gz MXPVJQCJWBYCNT-HZPDHXFCSA-N 0 0 348.443 1.963 10 0 EDAERN COC[C@H](C)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000103386366 441180593 /nfs/dbraw/zinc/18/05/93/441180593.db2.gz ZXIVWNPVRKEMHH-XJKSGUPXSA-N 0 0 334.416 1.494 10 0 EDAERN CC(C)C[C@H]1NC(=O)[C@H]2CN(CCc3ccccc3)CCN2C1=O ZINC000014753304 441189079 /nfs/dbraw/zinc/18/90/79/441189079.db2.gz QPTRLVYMMRQKQI-IAGOWNOFSA-N 0 0 329.444 1.286 10 0 EDAERN COC(=O)c1cc(C(=O)OC)c(Br)c(C(=O)OC)c1 ZINC000098181435 441150800 /nfs/dbraw/zinc/15/08/00/441150800.db2.gz UIYUIQLZRLRWPI-UHFFFAOYSA-N 0 0 331.118 1.809 10 0 EDAERN O=C(CNc1cc(Cl)cc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000015290818 441198990 /nfs/dbraw/zinc/19/89/90/441198990.db2.gz NHULSYYEYRHFES-JTQLQIEISA-N 0 0 337.228 1.709 10 0 EDAERN O=C(Nc1nnc(C2CC2)s1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000105043502 441229327 /nfs/dbraw/zinc/22/93/27/441229327.db2.gz QBGCAHLHRFJFMW-GFCCVEGCSA-N 0 0 341.400 1.825 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)CCCNC(=O)C(C)(C)C)CC1 ZINC000105861797 441293262 /nfs/dbraw/zinc/29/32/62/441293262.db2.gz KOJMLZIFMYMJJV-UHFFFAOYSA-N 0 0 349.479 1.947 10 0 EDAERN CCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000081584442 441293834 /nfs/dbraw/zinc/29/38/34/441293834.db2.gz MMSRYADEOXXWDM-AWEZNQCLSA-N 0 0 348.428 1.645 10 0 EDAERN C[C@H]1CCCN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)C1 ZINC000105869465 441300652 /nfs/dbraw/zinc/30/06/52/441300652.db2.gz WNAADDCEMXDKAP-INIZCTEOSA-N 0 0 333.480 1.186 10 0 EDAERN COc1ccccc1NC(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105883164 441305760 /nfs/dbraw/zinc/30/57/60/441305760.db2.gz UOJWHCSPCTZKLX-AWEZNQCLSA-N 0 0 329.404 1.637 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccccc3F)CCO2)c1 ZINC000105891683 441310316 /nfs/dbraw/zinc/31/03/16/441310316.db2.gz DRUBYXIGOBYUOE-CQSZACIVSA-N 0 0 332.379 1.670 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)NCCC(C)(C)C)CCO2)n1 ZINC000105893852 441311094 /nfs/dbraw/zinc/31/10/94/441311094.db2.gz LHHKJHVIWNMMAB-MRXNPFEDSA-N 0 0 336.480 1.753 10 0 EDAERN Cn1cc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)c(=O)n(C)c1=O ZINC000025952036 441362012 /nfs/dbraw/zinc/36/20/12/441362012.db2.gz NVCZLOUUQXPFPI-OFAQMXQXSA-N 0 0 339.395 1.291 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1ccccc1F ZINC000083741716 441374263 /nfs/dbraw/zinc/37/42/63/441374263.db2.gz XKSXUDPBPFRAAC-ZIAGYGMSSA-N 0 0 333.367 1.593 10 0 EDAERN Cc1cn([C@@H]2CCS(=O)(=O)C2)nc1I ZINC000086789529 441474771 /nfs/dbraw/zinc/47/47/71/441474771.db2.gz WWQXKACQZHFKMR-SSDOTTSWSA-N 0 0 326.159 1.156 10 0 EDAERN O=C(Nc1ccc(I)cc1)[C@@H]1CNC(=O)C1 ZINC000110341816 441516922 /nfs/dbraw/zinc/51/69/22/441516922.db2.gz GDNQRNSMYGUTDF-ZETCQYMHSA-N 0 0 330.125 1.366 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1ccccc1F ZINC000088786945 441522812 /nfs/dbraw/zinc/52/28/12/441522812.db2.gz SPXVFFUJFFDWSR-ZDUSSCGKSA-N 0 0 338.408 1.934 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cc(C)ccc3C)CCO2)c1 ZINC000112094160 441544819 /nfs/dbraw/zinc/54/48/19/441544819.db2.gz CAYXISIBPPREDZ-INIZCTEOSA-N 0 0 349.456 1.898 10 0 EDAERN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112652649 441552647 /nfs/dbraw/zinc/55/26/47/441552647.db2.gz WBNKONDXRGYVHQ-LBPRGKRZSA-N 0 0 343.412 1.977 10 0 EDAERN O=C(Cc1cccc(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112657263 441552896 /nfs/dbraw/zinc/55/28/96/441552896.db2.gz QOEWLTKOJLHENU-GFCCVEGCSA-N 0 0 335.205 1.714 10 0 EDAERN COc1ccc(C(=O)CCCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112648760 441552956 /nfs/dbraw/zinc/55/29/56/441552956.db2.gz FFIIZUPPKWISTD-AWEZNQCLSA-N 0 0 342.399 1.771 10 0 EDAERN O=C(Cc1csc(-c2cccnc2)n1)N[C@@H]1CCc2ncnn2C1 ZINC000112663212 441553690 /nfs/dbraw/zinc/55/36/90/441553690.db2.gz QHYMJMNSGMMPSU-GFCCVEGCSA-N 0 0 340.412 1.470 10 0 EDAERN O=C(NCc1nc2ccccc2s1)N[C@@H]1CCc2ncnn2C1 ZINC000112739415 441556871 /nfs/dbraw/zinc/55/68/71/441556871.db2.gz IMAZIEGVIAIMNU-SNVBAGLBSA-N 0 0 328.401 1.702 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCc2nccc(N)n2)[C@@H]1c1ccc(F)cc1 ZINC000089506363 441556895 /nfs/dbraw/zinc/55/68/95/441556895.db2.gz IUEGWUBMNVXLGB-LRDDRELGSA-N 0 0 343.362 1.034 10 0 EDAERN Cc1ccc(NCCCNC(=O)N[C@H]2CCc3ncnn3C2)nc1 ZINC000112743716 441557150 /nfs/dbraw/zinc/55/71/50/441557150.db2.gz ZKORUETWVLXQBC-ZDUSSCGKSA-N 0 0 329.408 1.098 10 0 EDAERN CCCOc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000054813968 441599998 /nfs/dbraw/zinc/59/99/98/441599998.db2.gz UNWOMNMBQYUBSJ-MRXNPFEDSA-N 0 0 334.416 1.933 10 0 EDAERN Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000113298549 441600263 /nfs/dbraw/zinc/60/02/63/441600263.db2.gz OGLBYZKGTNLOAU-SNVBAGLBSA-N 0 0 326.809 1.533 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)C3=COCCC3)CC2)cn1 ZINC000113859298 441625843 /nfs/dbraw/zinc/62/58/43/441625843.db2.gz QZEUEAMEECANFR-UHFFFAOYSA-N 0 0 332.448 1.977 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@@H]3CCCOC3)CC2)cn1 ZINC000113860397 441625946 /nfs/dbraw/zinc/62/59/46/441625946.db2.gz MRCURXMUEHMTJN-MRXNPFEDSA-N 0 0 334.464 1.709 10 0 EDAERN Cc1nn(C)c2ncc(NC(=O)[C@@H](C)NC(=O)c3ccco3)cc12 ZINC000055395390 441646773 /nfs/dbraw/zinc/64/67/73/441646773.db2.gz WILJJYHAIOGVEH-SNVBAGLBSA-N 0 0 327.344 1.627 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(Br)o1)CC2 ZINC000114865094 441693090 /nfs/dbraw/zinc/69/30/90/441693090.db2.gz MGXYUTUFYDSRRE-MRVPVSSYSA-N 0 0 339.193 1.941 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](COC)c1ccccc1)CC2 ZINC000114954988 441703977 /nfs/dbraw/zinc/70/39/77/441703977.db2.gz VFKZFXRZFLPDES-GJZGRUSLSA-N 0 0 343.431 1.842 10 0 EDAERN COCC[C@@H](C)NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115671889 441769013 /nfs/dbraw/zinc/76/90/13/441769013.db2.gz XKZBTZXJNATPQE-CYBMUJFWSA-N 0 0 337.468 1.289 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cccnc2OC)ncn1 ZINC000173425705 441745887 /nfs/dbraw/zinc/74/58/87/441745887.db2.gz AUHNEIVFEJBPIO-LBPRGKRZSA-N 0 0 342.403 1.321 10 0 EDAERN O=C(NCCOCc1ccc(Cl)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000158806989 441764710 /nfs/dbraw/zinc/76/47/10/441764710.db2.gz CVKLMCCZFDCQQU-CQSZACIVSA-N 0 0 349.822 1.762 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000173354986 441721848 /nfs/dbraw/zinc/72/18/48/441721848.db2.gz XUQABJGEYMTJRE-NHYWBVRUSA-N 0 0 347.394 1.330 10 0 EDAERN COc1ccccc1NCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000136856374 441728513 /nfs/dbraw/zinc/72/85/13/441728513.db2.gz VYOLWTTYBKQSTP-ZDUSSCGKSA-N 0 0 343.431 1.953 10 0 EDAERN CN(CC1CCCC1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115350193 441729189 /nfs/dbraw/zinc/72/91/89/441729189.db2.gz KOBLEIPWNOXNNX-NVXWUHKLSA-N 0 0 332.448 1.978 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)NCc3ccc(C)cc3)CCO2)[nH]1 ZINC000173657697 441816537 /nfs/dbraw/zinc/81/65/37/441816537.db2.gz YCMCWJAFEKLUGD-HNNXBMFYSA-N 0 0 329.404 1.111 10 0 EDAERN CCc1ccccc1NC(=O)CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173661156 441817956 /nfs/dbraw/zinc/81/79/56/441817956.db2.gz KMVMALHXLAFDSW-OAHLLOKOSA-N 0 0 329.404 1.688 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCCc3cccnc3)CC2)cn1 ZINC000115793443 441776600 /nfs/dbraw/zinc/77/66/00/441776600.db2.gz NJHRVLKJQGVTTD-UHFFFAOYSA-N 0 0 342.447 1.275 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCc3cc(F)ccc3F)CCO2)[nH]1 ZINC000173526521 441778895 /nfs/dbraw/zinc/77/88/95/441778895.db2.gz DXNABFHQZMHCAQ-CQSZACIVSA-N 0 0 336.342 1.924 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)COc3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000173559614 441791493 /nfs/dbraw/zinc/79/14/93/441791493.db2.gz FLEATYZMFXORII-OAHLLOKOSA-N 0 0 344.415 1.963 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)[C@H](C)C3CC3)C2=O)n(C)n1 ZINC000173568485 441794060 /nfs/dbraw/zinc/79/40/60/441794060.db2.gz WFHYNPJEMJWFMZ-OCCSQVGLSA-N 0 0 333.436 1.664 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)C2)cn1 ZINC000116118642 441795376 /nfs/dbraw/zinc/79/53/76/441795376.db2.gz QECHUMMWMRAJBZ-ZDUSSCGKSA-N 0 0 326.404 1.440 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)cn1 ZINC000159265068 441798263 /nfs/dbraw/zinc/79/82/63/441798263.db2.gz WFGSCLYWHBAXHO-CYBMUJFWSA-N 0 0 327.450 1.449 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)c3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173600585 441802220 /nfs/dbraw/zinc/80/22/20/441802220.db2.gz GMYHKOSOEWTPOO-GFCCVEGCSA-N 0 0 334.763 1.549 10 0 EDAERN CCOc1ccc(NC(=O)CNC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000139290800 441810330 /nfs/dbraw/zinc/81/03/30/441810330.db2.gz WVEOAAYEKGMCNT-HNNXBMFYSA-N 0 0 348.447 1.807 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)NC(=O)NCc3cccs3)C2)cn1 ZINC000116310827 441812123 /nfs/dbraw/zinc/81/21/23/441812123.db2.gz JFUQVOIHAMJEPL-GFCCVEGCSA-N 0 0 347.444 1.297 10 0 EDAERN C[C@H](NCc1nnc2n1CCCC2)C(=O)N[C@@H](C)c1ccccc1 ZINC000173639425 441812118 /nfs/dbraw/zinc/81/21/18/441812118.db2.gz NZGZKOHKXYUZJM-KBPBESRZSA-N 0 0 327.432 1.970 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116322037 441812973 /nfs/dbraw/zinc/81/29/73/441812973.db2.gz PRORRFAMIWTREY-CQSZACIVSA-N 0 0 341.415 1.807 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCC[S@](=O)C(C)(C)C)C2)cn1 ZINC000116967308 441862177 /nfs/dbraw/zinc/86/21/77/441862177.db2.gz SMFQAWOSAUUXQG-AMXDTQDGSA-N 0 0 326.466 1.466 10 0 EDAERN c1cn(Cc2ccccc2)c(CN2CC[C@H](N3CCOCC3)C2)n1 ZINC000173929528 441864039 /nfs/dbraw/zinc/86/40/39/441864039.db2.gz VFNODIIJBVERPW-SFHVURJKSA-N 0 0 326.444 1.838 10 0 EDAERN COC(=O)c1cccc(OCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173939992 441865754 /nfs/dbraw/zinc/86/57/54/441865754.db2.gz GOSAVMBMKWURAK-MRXNPFEDSA-N 0 0 334.416 1.259 10 0 EDAERN COCCN1CCN(C(=O)CSc2ccc(OC)cc2)C[C@H]1C ZINC000117295697 441869632 /nfs/dbraw/zinc/86/96/32/441869632.db2.gz QOMQQMBEXMCCFV-CQSZACIVSA-N 0 0 338.473 1.966 10 0 EDAERN Cc1sc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c(C)c1C ZINC000173701854 441827627 /nfs/dbraw/zinc/82/76/27/441827627.db2.gz CTWRCMWSHHMZAB-CQSZACIVSA-N 0 0 325.478 1.874 10 0 EDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)CC(CC)CC)CCO2)[nH]1 ZINC000173739114 441831373 /nfs/dbraw/zinc/83/13/73/441831373.db2.gz LBYFPGVDBDCNGI-LBPRGKRZSA-N 0 0 330.454 1.506 10 0 EDAERN O=S(=O)(c1ccc(F)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000122224091 441840855 /nfs/dbraw/zinc/84/08/55/441840855.db2.gz MTPKYYATHRHZKP-UHFFFAOYSA-N 0 0 336.392 1.881 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 ZINC000116780712 441844486 /nfs/dbraw/zinc/84/44/86/441844486.db2.gz XSJZKFDJHAEUPB-INIZCTEOSA-N 0 0 330.436 1.500 10 0 EDAERN CCSc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000173832272 441846784 /nfs/dbraw/zinc/84/67/84/441846784.db2.gz SSZMJILTKKYFJB-ZFWWWQNUSA-N 0 0 335.473 1.986 10 0 EDAERN COC(C)(C)C[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000173861675 441851151 /nfs/dbraw/zinc/85/11/51/441851151.db2.gz HRVVQYCJQZUZGN-NEPJUHHUSA-N 0 0 332.400 1.991 10 0 EDAERN COc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1OC ZINC000173858860 441851654 /nfs/dbraw/zinc/85/16/54/441851654.db2.gz VHQDNIIUMOFLGT-ZFWWWQNUSA-N 0 0 334.416 1.497 10 0 EDAERN CC(C)CCn1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)nn1 ZINC000173880478 441856320 /nfs/dbraw/zinc/85/63/20/441856320.db2.gz QMBWMJVZXJWUKE-GDBMZVCRSA-N 0 0 335.452 1.117 10 0 EDAERN O=C(Nc1cccnc1-n1cncn1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119154921 441919782 /nfs/dbraw/zinc/91/97/82/441919782.db2.gz ZZNAELCJYYITJS-CXAGYDPISA-N 0 0 342.403 1.821 10 0 EDAERN Cc1cnn(CCNC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)c1 ZINC000117815513 441880266 /nfs/dbraw/zinc/88/02/66/441880266.db2.gz WJCXIEASIONNEQ-AWEZNQCLSA-N 0 0 342.399 1.512 10 0 EDAERN Cc1cnn(CCNC(=O)CNC(=O)NCc2ccc(Cl)cc2)c1 ZINC000117808575 441880382 /nfs/dbraw/zinc/88/03/82/441880382.db2.gz XHOVHHLTTIRLQR-UHFFFAOYSA-N 0 0 349.822 1.461 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c(C)c1 ZINC000077940120 441889036 /nfs/dbraw/zinc/88/90/36/441889036.db2.gz COIUHACTAMUBLR-BBRMVZONSA-N 0 0 334.416 2.000 10 0 EDAERN CC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000123502459 441889775 /nfs/dbraw/zinc/88/97/75/441889775.db2.gz FBUURTZTHGPQRZ-GOEBONIOSA-N 0 0 349.406 1.234 10 0 EDAERN CCOC(=O)CN1C(=O)C(C)(C)NC[C@@H]1c1cc(F)cc(F)c1 ZINC000146589400 441897777 /nfs/dbraw/zinc/89/77/77/441897777.db2.gz HJTYIQLLUWBZPO-CYBMUJFWSA-N 0 0 326.343 1.779 10 0 EDAERN O=C1N[C@H](c2ccccc2OCc2ccccn2)N2CCOC[C@@H]12 ZINC000093884043 441898239 /nfs/dbraw/zinc/89/82/39/441898239.db2.gz QFVWVMODPSRULC-RDJZCZTQSA-N 0 0 325.368 1.490 10 0 EDAERN Cn1nccc1C1CC[NH+](CC(=O)[N-]OCc2ccccc2)CC1 ZINC000119374080 441931153 /nfs/dbraw/zinc/93/11/53/441931153.db2.gz ZGXNJODVDHMJKH-UHFFFAOYSA-N 0 0 328.416 1.848 10 0 EDAERN Cc1ccc2ncc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)n2c1 ZINC000119804028 441955688 /nfs/dbraw/zinc/95/56/88/441955688.db2.gz BZOUXHQDXGEYSI-LIRRHRJNSA-N 0 0 341.411 1.770 10 0 EDAERN CCOCCN1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)CC1 ZINC000174734572 441962883 /nfs/dbraw/zinc/96/28/83/441962883.db2.gz MROUEDCHLROGAM-MRXNPFEDSA-N 0 0 333.480 1.871 10 0 EDAERN O=C(CSc1nnnn1C1CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000125240018 442000437 /nfs/dbraw/zinc/00/04/37/442000437.db2.gz PFCGLYNUGHSTAJ-UHFFFAOYSA-N 0 0 333.421 1.229 10 0 EDAERN O=C(NCCc1ccc2c(c1)CCO2)N1CCC[C@@H](n2cncn2)C1 ZINC000174926050 441983798 /nfs/dbraw/zinc/98/37/98/441983798.db2.gz GCMSEDYVDGZFNC-MRXNPFEDSA-N 0 0 341.415 1.802 10 0 EDAERN O=S(=O)(CC1CCOCC1)N1CC[C@H](Oc2ccncc2)C1 ZINC000151125944 442009695 /nfs/dbraw/zinc/00/96/95/442009695.db2.gz XYIDELGKAKXDFG-HNNXBMFYSA-N 0 0 326.418 1.291 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000151126078 442010413 /nfs/dbraw/zinc/01/04/13/442010413.db2.gz GSOQHUGDOVBRLA-BEFAXECRSA-N 0 0 346.427 1.579 10 0 EDAERN COC(=O)C1CCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000161566904 442012850 /nfs/dbraw/zinc/01/28/50/442012850.db2.gz IOLXZSFPEROYLS-ZDUSSCGKSA-N 0 0 349.435 1.311 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1c(C)c(C)sc1=O ZINC000151309737 442040812 /nfs/dbraw/zinc/04/08/12/442040812.db2.gz HQNHUNWHWCCMSB-NSHDSACASA-N 0 0 335.433 1.332 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000120558455 442093520 /nfs/dbraw/zinc/09/35/20/442093520.db2.gz PIVJXODMGVYNHE-CYBMUJFWSA-N 0 0 326.462 1.654 10 0 EDAERN O=C(CCNC(=O)c1ccsc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125836964 442052552 /nfs/dbraw/zinc/05/25/52/442052552.db2.gz PGVZGCMQKJZETI-UHFFFAOYSA-N 0 0 332.429 1.997 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc([C@@H](C)O)cc3)CCO2)[nH]1 ZINC000175474793 442070922 /nfs/dbraw/zinc/07/09/22/442070922.db2.gz GCKSJHQSCLVIGP-IAQYHMDHSA-N 0 0 345.403 1.450 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)c1ccsc1)CC2 ZINC000120523981 442088010 /nfs/dbraw/zinc/08/80/10/442088010.db2.gz UECQABHLLMTUPN-NEPJUHHUSA-N 0 0 335.433 1.250 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2C(=O)N(CC)CC)C1 ZINC000151771560 442117978 /nfs/dbraw/zinc/11/79/78/442117978.db2.gz LFCHASPPYYKNRP-KBPBESRZSA-N 0 0 338.452 1.040 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000162743498 442118666 /nfs/dbraw/zinc/11/86/66/442118666.db2.gz WYMAQKGOVOVYEP-OAHLLOKOSA-N 0 0 326.352 1.942 10 0 EDAERN CC(C)Oc1cc(CNC(=O)NC[C@H](C)N2CCOCC2)ccn1 ZINC000151804714 442122427 /nfs/dbraw/zinc/12/24/27/442122427.db2.gz SMPRCMJGCDFURZ-AWEZNQCLSA-N 0 0 336.436 1.389 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCC(=O)N1CCCCC1 ZINC000175791968 442123752 /nfs/dbraw/zinc/12/37/52/442123752.db2.gz UYJYUZGMPJRKOP-OAHLLOKOSA-N 0 0 333.436 1.378 10 0 EDAERN CC[C@H](COC)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC)COC ZINC000162797712 442124081 /nfs/dbraw/zinc/12/40/81/442124081.db2.gz LWCSCGGKPNPQKC-NMWPEEMBSA-N 0 0 328.453 1.485 10 0 EDAERN CC(C)C[C@@H](CCO)CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000120790697 442133538 /nfs/dbraw/zinc/13/35/38/442133538.db2.gz ZRUCVRPHPBSJAB-CVEARBPZSA-N 0 0 327.469 1.147 10 0 EDAERN C[C@@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(F)c(F)c1 ZINC000126299939 442097411 /nfs/dbraw/zinc/09/74/11/442097411.db2.gz KWOGLLHXJZHOLC-LLVKDONJSA-N 0 0 325.359 1.354 10 0 EDAERN COc1cccc(CNC(=O)N2CCC[C@H]2Cn2ccnc2C)n1 ZINC000176048794 442166133 /nfs/dbraw/zinc/16/61/33/442166133.db2.gz ZOCSJOZNOXIJDN-HNNXBMFYSA-N 0 0 329.404 1.969 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000176054418 442167551 /nfs/dbraw/zinc/16/75/51/442167551.db2.gz COSUSSYHSRZGNU-UHFFFAOYSA-N 0 0 344.419 1.538 10 0 EDAERN O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176281530 442204540 /nfs/dbraw/zinc/20/45/40/442204540.db2.gz MWWNQUIHDBYUDB-CQSZACIVSA-N 0 0 330.363 1.637 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000176209431 442191802 /nfs/dbraw/zinc/19/18/02/442191802.db2.gz NVZOYQQAOKWSKG-HNNXBMFYSA-N 0 0 326.352 1.804 10 0 EDAERN O=C(c1ccccc1-n1cnnn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121226442 442194300 /nfs/dbraw/zinc/19/43/00/442194300.db2.gz LKJAPUAVSJLHFP-GUYCJALGSA-N 0 0 327.388 1.430 10 0 EDAERN O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)N1CCC[C@H]1CO ZINC000120942479 442154737 /nfs/dbraw/zinc/15/47/37/442154737.db2.gz LFJXUJNVSSJXNA-AWEZNQCLSA-N 0 0 332.400 1.930 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CO)nn1-c1ccc(C)cc1 ZINC000120951585 442156747 /nfs/dbraw/zinc/15/67/47/442156747.db2.gz LGTKLPQWZZKZNT-HNNXBMFYSA-N 0 0 342.399 1.411 10 0 EDAERN O=S(=O)(c1cccc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000176725869 442250459 /nfs/dbraw/zinc/25/04/59/442250459.db2.gz WLMXTCRNNJHHRX-INIZCTEOSA-N 0 0 346.452 1.935 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000164977252 442206041 /nfs/dbraw/zinc/20/60/41/442206041.db2.gz MXIBUNZEUXOSBE-CYBMUJFWSA-N 0 0 345.403 1.978 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cnn3c1CCCC3)CC2 ZINC000127508783 442207955 /nfs/dbraw/zinc/20/79/55/442207955.db2.gz MRNACXNDGCIFLU-LBPRGKRZSA-N 0 0 328.420 1.679 10 0 EDAERN COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H](NC(C)=O)C1)CO2 ZINC000127533530 442209740 /nfs/dbraw/zinc/20/97/40/442209740.db2.gz WWVOGPBFUOYGEE-GJZGRUSLSA-N 0 0 332.400 1.373 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(Br)nc1 ZINC000166002739 442212614 /nfs/dbraw/zinc/21/26/14/442212614.db2.gz HXVWNFLDUOBJJP-SECBINFHSA-N 0 0 327.182 1.586 10 0 EDAERN O=C(NCC1([C@@H](O)c2ccccc2)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000127675700 442219056 /nfs/dbraw/zinc/21/90/56/442219056.db2.gz MLOPQFJUGIWSSI-ZBFHGGJFSA-N 0 0 341.415 1.406 10 0 EDAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127805082 442226531 /nfs/dbraw/zinc/22/65/31/442226531.db2.gz GZMGFGIKEGXNPG-STQMWFEESA-N 0 0 347.444 1.397 10 0 EDAERN COc1ccc(CCNC(=O)[C@@H]2CCc3n[nH]nc3C2)cc1OC ZINC000170240159 442230003 /nfs/dbraw/zinc/23/00/03/442230003.db2.gz NTFCPHFRNUBJLW-GFCCVEGCSA-N 0 0 330.388 1.286 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N(CCC(F)(F)F)CC1CC1 ZINC000176534209 442231354 /nfs/dbraw/zinc/23/13/54/442231354.db2.gz ZVHDYVYNPLSNFE-LLVKDONJSA-N 0 0 331.342 1.967 10 0 EDAERN O=C(c1cccnc1Br)N1CCC[C@H](n2cncn2)C1 ZINC000176568238 442235501 /nfs/dbraw/zinc/23/55/01/442235501.db2.gz KENGYVRIMHXZIV-JTQLQIEISA-N 0 0 336.193 1.913 10 0 EDAERN O=C(Cc1csc(-c2cnccn2)n1)N1CC[C@]2(CCOC2)C1 ZINC000153005794 442255975 /nfs/dbraw/zinc/25/59/75/442255975.db2.gz CNCSBHLQKWMRHU-INIZCTEOSA-N 0 0 330.413 1.782 10 0 EDAERN CC(C)C(=O)NCCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000152730019 442240712 /nfs/dbraw/zinc/24/07/12/442240712.db2.gz USIUQNFXLBZDIE-PBHICJAKSA-N 0 0 325.453 1.485 10 0 EDAERN CC(C)n1ccnc1C[S@@](=O)[C@H](C)C(=O)NCC(F)(F)F ZINC000176885600 442266778 /nfs/dbraw/zinc/26/67/78/442266778.db2.gz KUJZPCQCHNDLPC-AOUSDQRYSA-N 0 0 325.356 1.780 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000176956791 442277245 /nfs/dbraw/zinc/27/72/45/442277245.db2.gz BBCNKTINTHREQX-UHFFFAOYSA-N 0 0 326.418 1.676 10 0 EDAERN CCCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176982666 442280483 /nfs/dbraw/zinc/28/04/83/442280483.db2.gz UTIZQZDDRJQHMS-UONOGXRCSA-N 0 0 327.494 1.631 10 0 EDAERN COc1ccc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000176997174 442283098 /nfs/dbraw/zinc/28/30/98/442283098.db2.gz SKYUYIRRYASVEA-BBRMVZONSA-N 0 0 340.445 1.036 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(C(=O)NC(C)C)cc2)C[C@@H]1C ZINC000153081180 442260142 /nfs/dbraw/zinc/26/01/42/442260142.db2.gz ZSSGDEIDCKYCHL-HNNXBMFYSA-N 0 0 347.459 1.618 10 0 EDAERN C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)c1nnc2n1CCCC2 ZINC000154725910 442353687 /nfs/dbraw/zinc/35/36/87/442353687.db2.gz ATAUMKXODWCRBN-JTQLQIEISA-N 0 0 330.396 1.353 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CSCCS2)C1 ZINC000177266409 442322332 /nfs/dbraw/zinc/32/23/32/442322332.db2.gz UYBUDNMGZFTHAZ-RYUDHWBXSA-N 0 0 326.491 1.853 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)[C@@H]1CCCO1 ZINC000171227330 442330851 /nfs/dbraw/zinc/33/08/51/442330851.db2.gz XSVDZURTBGUEEC-GWCFXTLKSA-N 0 0 330.344 1.359 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1 ZINC000154367744 442335150 /nfs/dbraw/zinc/33/51/50/442335150.db2.gz MMEBUMPDEGRCBQ-CQSZACIVSA-N 0 0 327.388 1.316 10 0 EDAERN CCCc1c(C(=O)NC[C@H]2CN(C)CCO2)[nH]c(C)c1C(=O)OC ZINC000171287184 442338850 /nfs/dbraw/zinc/33/88/50/442338850.db2.gz RUWCZZUVSOCHPM-LBPRGKRZSA-N 0 0 337.420 1.123 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)cn1 ZINC000171349541 442342729 /nfs/dbraw/zinc/34/27/29/442342729.db2.gz OTIWVNADQKJLOF-CQSZACIVSA-N 0 0 325.372 1.427 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000171454766 442349817 /nfs/dbraw/zinc/34/98/17/442349817.db2.gz QSYGBWRKSOMRQI-AWEZNQCLSA-N 0 0 343.427 1.664 10 0 EDAERN Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)CC2 ZINC000171458429 442350336 /nfs/dbraw/zinc/35/03/36/442350336.db2.gz NZWVKHFRDUXXKS-SMDDNHRTSA-N 0 0 342.403 1.228 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(CCNC(=O)OC(C)(C)C)CCO2)n1 ZINC000177503091 442350530 /nfs/dbraw/zinc/35/05/30/442350530.db2.gz RGEYJCUYNUTCHF-OAHLLOKOSA-N 0 0 338.452 1.725 10 0 EDAERN CCc1c(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cnn1CC(C)C ZINC000154001997 442316075 /nfs/dbraw/zinc/31/60/75/442316075.db2.gz LBHOENQLRARHLX-HNNXBMFYSA-N 0 0 346.435 1.742 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCOCC(C)C ZINC000155035506 442371992 /nfs/dbraw/zinc/37/19/92/442371992.db2.gz CFCXXCMCMNPAMC-ZDUSSCGKSA-N 0 0 339.440 1.621 10 0 EDAERN COc1ccc(OC)c(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171704353 442372328 /nfs/dbraw/zinc/37/23/28/442372328.db2.gz OKEAHKVGKRYOLA-CYBMUJFWSA-N 0 0 345.403 1.571 10 0 EDAERN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nnnn3C(C)C)C2)nc1 ZINC000177742405 442378415 /nfs/dbraw/zinc/37/84/15/442378415.db2.gz BOPOSMXJYMDNCR-CQSZACIVSA-N 0 0 343.435 1.808 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CCO2)n1 ZINC000171770049 442379249 /nfs/dbraw/zinc/37/92/49/442379249.db2.gz SVBLBFIARROFNE-MRXNPFEDSA-N 0 0 349.456 1.898 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3nnc(C)s3)CCO2)n1 ZINC000171806566 442382152 /nfs/dbraw/zinc/38/21/52/442382152.db2.gz LHJBNHBVVCRXNL-LBPRGKRZSA-N 0 0 336.421 1.593 10 0 EDAERN O=C(NCc1cccc(CO)c1)N1CCO[C@H](c2nccs2)C1 ZINC000171907408 442390330 /nfs/dbraw/zinc/39/03/30/442390330.db2.gz FQMBFNAFKOHRSK-AWEZNQCLSA-N 0 0 333.413 1.919 10 0 EDAERN CC(C)NC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171987257 442396726 /nfs/dbraw/zinc/39/67/26/442396726.db2.gz AKMPAHFCNUASLE-WMLDXEAASA-N 0 0 331.416 1.237 10 0 EDAERN CC(C)c1nnc(NC(=O)CN2CCC[C@H](n3cncn3)C2)s1 ZINC000177966580 442398285 /nfs/dbraw/zinc/39/82/85/442398285.db2.gz OBKFPHSLTGWYME-NSHDSACASA-N 0 0 335.437 1.529 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1ccccc1O)CC2 ZINC000172038354 442402699 /nfs/dbraw/zinc/40/26/99/442402699.db2.gz SMFZINOTAIOOPP-CYBMUJFWSA-N 0 0 329.404 1.403 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171615810 442362902 /nfs/dbraw/zinc/36/29/02/442362902.db2.gz MHSBUEHAWQQZTK-MRXNPFEDSA-N 0 0 342.403 1.512 10 0 EDAERN O=C(NC[C@@H]1CCCOC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172126122 442411827 /nfs/dbraw/zinc/41/18/27/442411827.db2.gz PWRRTSYOALVJHF-FUHWJXTLSA-N 0 0 347.459 1.474 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCC3CCOCC3)CC2)cn1 ZINC000172145663 442415674 /nfs/dbraw/zinc/41/56/74/442415674.db2.gz GTLQWWDVOWYYIM-UHFFFAOYSA-N 0 0 335.452 1.064 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)NC[C@@H]3CCCO3)CC2)cn1 ZINC000172219003 442424856 /nfs/dbraw/zinc/42/48/56/442424856.db2.gz UNLABHJQIHUVHS-INIZCTEOSA-N 0 0 349.479 1.644 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)N(C)CCN2CCN(c3ccccc3)CC2)O1 ZINC000155828048 442430495 /nfs/dbraw/zinc/43/04/95/442430495.db2.gz GIWPUPXQECPWGO-AEFFLSMTSA-N 0 0 331.460 1.835 10 0 EDAERN COc1cc(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)ccn1 ZINC000155868941 442433308 /nfs/dbraw/zinc/43/33/08/442433308.db2.gz WIQZGNKQDXSHDZ-ZDUSSCGKSA-N 0 0 344.419 1.619 10 0 EDAERN COC[C@@H](C)C(=O)N(C)c1ccc(CNC(=O)[C@@H](C)COC)cc1 ZINC000179435058 442457772 /nfs/dbraw/zinc/45/77/72/442457772.db2.gz PLVIERWTUMYOAU-UONOGXRCSA-N 0 0 336.432 1.831 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCn1cccn1)CC2 ZINC000156001128 442441848 /nfs/dbraw/zinc/44/18/48/442441848.db2.gz PMZZYVAYACLCHI-ZDUSSCGKSA-N 0 0 331.424 1.302 10 0 EDAERN C[NH+](C)CCN1CCC(NC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000156028113 442443281 /nfs/dbraw/zinc/44/32/81/442443281.db2.gz MVFXJPYHYCODJO-UHFFFAOYSA-N 0 0 348.495 1.325 10 0 EDAERN CN(C(=O)c1cc(C2CC2)n[nH]1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172349272 442448320 /nfs/dbraw/zinc/44/83/20/442448320.db2.gz QOVUASAZIJWKQU-CYBMUJFWSA-N 0 0 326.404 1.818 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CN1CCCCCCC1=O)CC2 ZINC000172418739 442457028 /nfs/dbraw/zinc/45/70/28/442457028.db2.gz CHCVSGLSQTZCMJ-AWEZNQCLSA-N 0 0 347.463 1.625 10 0 EDAERN CCc1cc(=O)n2nc(SCCN3CCOCC3)sc2n1 ZINC000134578301 442498142 /nfs/dbraw/zinc/49/81/42/442498142.db2.gz JMSKACYYBIVCEL-UHFFFAOYSA-N 0 0 326.447 1.138 10 0 EDAERN CCc1nnc(CN2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C ZINC000172597766 442499330 /nfs/dbraw/zinc/49/93/30/442499330.db2.gz FNJBMHMNKLALGV-UHFFFAOYSA-N 0 0 347.850 1.875 10 0 EDAERN CC(=O)NC1CN(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000191730445 442500470 /nfs/dbraw/zinc/50/04/70/442500470.db2.gz ZVFCYQWXUKZSDZ-MEDUHNTESA-N 0 0 326.824 1.599 10 0 EDAERN CCN(Cc1ccccc1)C(=O)CNC(=O)NC[C@H]1CCCC[C@H]1O ZINC000172612320 442503942 /nfs/dbraw/zinc/50/39/42/442503942.db2.gz XLVJLGALFAUCIG-IAGOWNOFSA-N 0 0 347.459 1.885 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cc(OC)ccc3O)CCO2)cn1 ZINC000191758304 442506139 /nfs/dbraw/zinc/50/61/39/442506139.db2.gz LRVDLPAINLIFKD-MRXNPFEDSA-N 0 0 331.372 1.831 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000191766077 442506752 /nfs/dbraw/zinc/50/67/52/442506752.db2.gz LABDRYUUUSSTPG-CYBMUJFWSA-N 0 0 334.391 1.611 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1nnn(-c2ccc(OC)cc2)c1C)C(C)C ZINC000178867371 442508210 /nfs/dbraw/zinc/50/82/10/442508210.db2.gz DKGFUPMCMDNOHK-CQSZACIVSA-N 0 0 345.403 1.085 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccco2)CC1 ZINC000179483220 442463608 /nfs/dbraw/zinc/46/36/08/442463608.db2.gz CQEFBYNUNJFRAO-HIFPTAJRSA-N 0 0 336.388 1.380 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 ZINC000134336978 442471200 /nfs/dbraw/zinc/47/12/00/442471200.db2.gz IBTSVRZDQQJXPQ-GXSJLCMTSA-N 0 0 326.360 1.003 10 0 EDAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172502311 442475097 /nfs/dbraw/zinc/47/50/97/442475097.db2.gz LOYDKEPKPCWUOG-CQSZACIVSA-N 0 0 338.367 1.933 10 0 EDAERN COCc1cccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000186177273 442479082 /nfs/dbraw/zinc/47/90/82/442479082.db2.gz KOPREMLAFHJGDP-UHFFFAOYSA-N 0 0 338.429 1.122 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCCC4)CCO2)[nH]1 ZINC000191914163 442539616 /nfs/dbraw/zinc/53/96/16/442539616.db2.gz DLRVLWRYJKMLHB-ZDUSSCGKSA-N 0 0 344.419 1.573 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C12CCOCC2 ZINC000186463688 442540166 /nfs/dbraw/zinc/54/01/66/442540166.db2.gz RZTBCWUBEJKJNX-GJZGRUSLSA-N 0 0 344.415 1.970 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCCN(c2cccnn2)CC1 ZINC000186478286 442543291 /nfs/dbraw/zinc/54/32/91/442543291.db2.gz ISIKJSADBOLEPP-UHFFFAOYSA-N 0 0 344.390 1.906 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cn(C)nc3-c3ccncc3)CCO2)[nH]1 ZINC000180117037 442543855 /nfs/dbraw/zinc/54/38/55/442543855.db2.gz DJMDPXUSLPMRAG-OAHLLOKOSA-N 0 0 339.403 1.482 10 0 EDAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000186522557 442551221 /nfs/dbraw/zinc/55/12/21/442551221.db2.gz FGURJGXJGSWPFU-NWDGAFQWSA-N 0 0 335.376 1.480 10 0 EDAERN COc1ccc(/C=C(\C)C(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000186333163 442513961 /nfs/dbraw/zinc/51/39/61/442513961.db2.gz VTUUTHDOQNYKAV-HJTPGIPUSA-N 0 0 330.363 1.960 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000180196948 442557584 /nfs/dbraw/zinc/55/75/84/442557584.db2.gz JTWTWNWEBBUXPV-NSHDSACASA-N 0 0 347.198 1.475 10 0 EDAERN CCOCc1ccc(CNC(=O)CN2CCC[C@]2(C)C(=O)OC)cc1 ZINC000186402151 442526959 /nfs/dbraw/zinc/52/69/59/442526959.db2.gz NLULWCKNAFNMOM-LJQANCHMSA-N 0 0 348.443 1.867 10 0 EDAERN C[C@@H](NC(=O)c1ncc(F)cc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000191873901 442529766 /nfs/dbraw/zinc/52/97/66/442529766.db2.gz FEDTYGQVMNWSJM-MRVPVSSYSA-N 0 0 341.339 1.498 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cnc3ccccc3n2)n1 ZINC000186600447 442570578 /nfs/dbraw/zinc/57/05/78/442570578.db2.gz MQKUZYWWDVJYJB-AWEZNQCLSA-N 0 0 325.328 1.535 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)CCc2nc3ccccc3[nH]2)n1 ZINC000186611817 442572983 /nfs/dbraw/zinc/57/29/83/442572983.db2.gz DHWOBHBNWIWWEJ-CQSZACIVSA-N 0 0 341.371 1.787 10 0 EDAERN C[C@H](CNC(=O)N(C)Cc1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000180323182 442581412 /nfs/dbraw/zinc/58/14/12/442581412.db2.gz GPNREHFBUZWIFK-LLVKDONJSA-N 0 0 345.365 1.966 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(C)c(F)c3)CCO2)[nH]1 ZINC000180224022 442562114 /nfs/dbraw/zinc/56/21/14/442562114.db2.gz JIFFPEANFQGEDF-CYBMUJFWSA-N 0 0 347.350 1.099 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1F ZINC000180259061 442567743 /nfs/dbraw/zinc/56/77/43/442567743.db2.gz ZKMWXMORPQUYSO-BBRMVZONSA-N 0 0 349.406 1.252 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1cccc(-n2ccnc2)c1 ZINC000173265009 442636052 /nfs/dbraw/zinc/63/60/52/442636052.db2.gz VFLSEDLJHRPHTI-SWLSCSKDSA-N 0 0 327.388 1.463 10 0 EDAERN O=C(Nc1ccc(-c2ncco2)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179387079 442637834 /nfs/dbraw/zinc/63/78/34/442637834.db2.gz PBTFYBMCLUYDKH-HNNXBMFYSA-N 0 0 340.383 1.587 10 0 EDAERN CCc1ncc(NC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cn1 ZINC000192349806 442638656 /nfs/dbraw/zinc/63/86/56/442638656.db2.gz ZUJRHVKKYTVOCW-AWEZNQCLSA-N 0 0 330.392 1.861 10 0 EDAERN COC(=O)c1ccccc1CCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000187089933 442652778 /nfs/dbraw/zinc/65/27/78/442652778.db2.gz WLYXYRDFZNSBDH-OAHLLOKOSA-N 0 0 330.388 1.516 10 0 EDAERN O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000179333560 442623899 /nfs/dbraw/zinc/62/38/99/442623899.db2.gz TZWVWVIBBFOZFI-GFCCVEGCSA-N 0 0 337.330 1.794 10 0 EDAERN Cc1cc(=O)[nH]c([C@@H](C)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000192721045 442679989 /nfs/dbraw/zinc/67/99/89/442679989.db2.gz MFFAKSGMKMLSFU-WDEREUQCSA-N 0 0 336.417 1.550 10 0 EDAERN Cc1cc(=O)[nH]c([C@H](C)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000192721083 442680296 /nfs/dbraw/zinc/68/02/96/442680296.db2.gz MFFAKSGMKMLSFU-MNOVXSKESA-N 0 0 336.417 1.550 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCO[C@H](Cc2ccccc2)C1)C(C)C ZINC000181235342 442685710 /nfs/dbraw/zinc/68/57/10/442685710.db2.gz OEDNEYMIOLLBMC-HZPDHXFCSA-N 0 0 334.416 1.837 10 0 EDAERN C[C@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC(C)(C)C1 ZINC000181478684 442699597 /nfs/dbraw/zinc/69/95/97/442699597.db2.gz PZECEDLOYWYEHW-MELADBBJSA-N 0 0 330.494 1.941 10 0 EDAERN CCCCc1nc2cc(NC(=O)[C@H]3C[C@@H](O)CN3C(C)=O)ccc2[nH]1 ZINC000192966426 442702142 /nfs/dbraw/zinc/70/21/42/442702142.db2.gz ZPNAKNNFDBDWGO-CZUORRHYSA-N 0 0 344.415 1.826 10 0 EDAERN CCC[C@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OCC ZINC000181564708 442704163 /nfs/dbraw/zinc/70/41/63/442704163.db2.gz KIKJHNDASMBFFV-RISCZKNCSA-N 0 0 328.434 1.716 10 0 EDAERN C/C(=C/C(=O)N1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000136378114 442661334 /nfs/dbraw/zinc/66/13/34/442661334.db2.gz VNXREWMXBHXKDG-SQFISAMPSA-N 0 0 348.410 1.876 10 0 EDAERN CN(C(=O)c1ccc2n[nH]nc2c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000136370893 442661468 /nfs/dbraw/zinc/66/14/68/442661468.db2.gz AGJDVIOYGYEFRK-ZDUSSCGKSA-N 0 0 337.387 1.489 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000180865407 442665740 /nfs/dbraw/zinc/66/57/40/442665740.db2.gz MMFBOYGINKTGKL-LLVKDONJSA-N 0 0 339.355 1.832 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2COC3(CCCCC3)O2)C1 ZINC000180898937 442667760 /nfs/dbraw/zinc/66/77/60/442667760.db2.gz KSARLDBWJACTHQ-LSDHHAIUSA-N 0 0 325.453 1.846 10 0 EDAERN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CNC(=O)C1 ZINC000181617723 442706662 /nfs/dbraw/zinc/70/66/62/442706662.db2.gz MYMMRRGFXROCKH-NSHDSACASA-N 0 0 332.335 1.061 10 0 EDAERN COCCN1CCN(C(=O)Cc2c[nH]c3cccc(OC)c23)C[C@H]1C ZINC000181992413 442725666 /nfs/dbraw/zinc/72/56/66/442725666.db2.gz SKHOHYHHZQZNTQ-CQSZACIVSA-N 0 0 345.443 1.898 10 0 EDAERN O=C(N[C@H]1CCC[C@H]1CCO)N1CCC(Nc2cccnn2)CC1 ZINC000188409880 442747885 /nfs/dbraw/zinc/74/78/85/442747885.db2.gz BYVHLDWSSZJYTP-ZFWWWQNUSA-N 0 0 333.436 1.614 10 0 EDAERN Cc1ccc([C@@](O)(CC(=O)N2CCCNC(=O)[C@H]2C)C(F)(F)F)o1 ZINC000188071252 442708098 /nfs/dbraw/zinc/70/80/98/442708098.db2.gz JSMIDCTXYMBKHK-YGRLFVJLSA-N 0 0 348.321 1.465 10 0 EDAERN CC(C)NC(=O)Nc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188080049 442709020 /nfs/dbraw/zinc/70/90/20/442709020.db2.gz MPLZFARWVOWWOS-GFCCVEGCSA-N 0 0 332.404 1.567 10 0 EDAERN CC(C)CNC(=O)NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188085894 442709751 /nfs/dbraw/zinc/70/97/51/442709751.db2.gz SRJOLCBHMWBYRA-KBPBESRZSA-N 0 0 339.461 1.238 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H](CO)CC(C)(C)C)CC2 ZINC000181731318 442713597 /nfs/dbraw/zinc/71/35/97/442713597.db2.gz LLISLDDQCSHHKU-STQMWFEESA-N 0 0 337.468 1.813 10 0 EDAERN CN(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000182590761 442791746 /nfs/dbraw/zinc/79/17/46/442791746.db2.gz YWYNOECTMJBLDH-OAHLLOKOSA-N 0 0 348.424 1.997 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)C(C)C ZINC000246646525 442799330 /nfs/dbraw/zinc/79/93/30/442799330.db2.gz FZXPHOZVZZAUQO-ZOBUZTSGSA-N 0 0 341.496 1.087 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cnc(Br)c(C)c1 ZINC000182413711 442765476 /nfs/dbraw/zinc/76/54/76/442765476.db2.gz OBLPZSXLCSJYFJ-JTQLQIEISA-N 0 0 341.209 1.895 10 0 EDAERN CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000182459684 442770078 /nfs/dbraw/zinc/77/00/78/442770078.db2.gz IZYZNUQMDVUAMY-UHFFFAOYSA-N 0 0 348.447 1.989 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000188617796 442770940 /nfs/dbraw/zinc/77/09/40/442770940.db2.gz HWVBEKLGTGPIQZ-IAGOWNOFSA-N 0 0 342.399 1.409 10 0 EDAERN Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000182484284 442775641 /nfs/dbraw/zinc/77/56/41/442775641.db2.gz FJAPUDANYQCGBB-CZUORRHYSA-N 0 0 334.464 1.739 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCCCC(=O)NC1CC1)C(C)C ZINC000193734127 442775788 /nfs/dbraw/zinc/77/57/88/442775788.db2.gz FKJJLLXXJWZOAP-MRXNPFEDSA-N 0 0 325.453 1.348 10 0 EDAERN CC1([C@@H]2CCCN(C(=O)N[C@H]3CCCn4ncnc43)C2)OCCO1 ZINC000182845469 442835034 /nfs/dbraw/zinc/83/50/34/442835034.db2.gz RYKGUEOJYOJDNJ-OLZOCXBDSA-N 0 0 335.408 1.298 10 0 EDAERN COCc1cccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188793743 442815430 /nfs/dbraw/zinc/81/54/30/442815430.db2.gz UMBFLDKTNCECMN-UHFFFAOYSA-N 0 0 331.416 1.643 10 0 EDAERN CC(C)Cn1ncnc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000182750577 442818227 /nfs/dbraw/zinc/81/82/27/442818227.db2.gz WIAKAAQHMMGMHQ-GOSISDBHSA-N 0 0 343.475 1.785 10 0 EDAERN CC(C)=CC(=O)NCc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188836270 442824800 /nfs/dbraw/zinc/82/48/00/442824800.db2.gz ZSLZCWTYXWLHNT-CQSZACIVSA-N 0 0 343.427 1.620 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)cn2C)C[C@@H]1C ZINC000247015823 442827896 /nfs/dbraw/zinc/82/78/96/442827896.db2.gz WMZLVJFEXJTWEB-QWRGUYRKSA-N 0 0 344.253 1.315 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(OC(C)C)n1 ZINC000179179172 318454329 /nfs/dbraw/zinc/45/43/29/318454329.db2.gz YCOMLMSUXOMUCZ-GFCCVEGCSA-N 0 0 345.403 1.872 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000183133624 442886794 /nfs/dbraw/zinc/88/67/94/442886794.db2.gz OKQUUADAQZYMDE-HNNXBMFYSA-N 0 0 333.436 1.066 10 0 EDAERN O[C@@H](CN1CCN(C[C@H](O)c2ccccc2)CC1)CC(F)(F)F ZINC000189157213 442888428 /nfs/dbraw/zinc/88/84/28/442888428.db2.gz ATWYNJSXEJBVQI-CABCVRRESA-N 0 0 332.366 1.651 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000248439690 442892434 /nfs/dbraw/zinc/89/24/34/442892434.db2.gz IUYPUWMWWFDRNW-ZIAGYGMSSA-N 0 0 326.418 1.812 10 0 EDAERN O=C(Nc1ccncn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000194160057 442854632 /nfs/dbraw/zinc/85/46/32/442854632.db2.gz ROSGOMIKHYPJEQ-OAHLLOKOSA-N 0 0 327.388 1.360 10 0 EDAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000189238211 442903199 /nfs/dbraw/zinc/90/31/99/442903199.db2.gz RWYLMTQUFODRHB-LLVKDONJSA-N 0 0 338.429 1.003 10 0 EDAERN CCCn1cc(C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000183208695 442903780 /nfs/dbraw/zinc/90/37/80/442903780.db2.gz LANLRTCUMOWXJC-AWEZNQCLSA-N 0 0 343.435 1.524 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H]1CO ZINC000189420898 442949012 /nfs/dbraw/zinc/94/90/12/442949012.db2.gz VGITUAQBHQLPBN-MQYQWHSLSA-N 0 0 326.437 1.909 10 0 EDAERN COc1cc(=O)n(Cc2nnc(C3CC3)n2C)cc1Br ZINC000183285057 442916708 /nfs/dbraw/zinc/91/67/08/442916708.db2.gz HLISIWAOFBIWQA-UHFFFAOYSA-N 0 0 339.193 1.674 10 0 EDAERN CCOc1ccc(-c2noc(CN3CCCNC(=O)[C@H]3C)n2)cc1 ZINC000189311657 442918310 /nfs/dbraw/zinc/91/83/10/442918310.db2.gz DKZYHZUVVMFMLH-GFCCVEGCSA-N 0 0 330.388 1.846 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CC(NC(=O)C4CC4)C3)[nH]n2)cc1 ZINC000189385671 442935912 /nfs/dbraw/zinc/93/59/12/442935912.db2.gz QUMXSHYSXLTVMB-UHFFFAOYSA-N 0 0 340.383 1.436 10 0 EDAERN Cc1nc2cc(F)cc(C(=O)N3CC(NC(=O)C4CC4)C3)c2nc1C ZINC000189392684 442938238 /nfs/dbraw/zinc/93/82/38/442938238.db2.gz OBNSXHHQMYEIIM-UHFFFAOYSA-N 0 0 342.374 1.736 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2ccccc2F)n1 ZINC000183745209 442958413 /nfs/dbraw/zinc/95/84/13/442958413.db2.gz RTMFRFMYDMWQRU-CYBMUJFWSA-N 0 0 341.364 1.420 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000183759163 442961673 /nfs/dbraw/zinc/96/16/73/442961673.db2.gz KMKNKZIECWUNMJ-CQSZACIVSA-N 0 0 342.355 1.476 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)Cn2c(C)nc3ccccc32)n1 ZINC000183757995 442961923 /nfs/dbraw/zinc/96/19/23/442961923.db2.gz GAAMZFDTXQDWIN-OAHLLOKOSA-N 0 0 341.371 1.636 10 0 EDAERN O=C(NC1CN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C1)C1CC1 ZINC000189490143 442966313 /nfs/dbraw/zinc/96/63/13/442966313.db2.gz ATPMCQIEDZCXIP-UHFFFAOYSA-N 0 0 346.337 1.706 10 0 EDAERN C[C@@H]1CN(C[C@H](O)COc2ccc3ccccc3c2)C[C@@H](CO)O1 ZINC000249364258 442968570 /nfs/dbraw/zinc/96/85/70/442968570.db2.gz ODUDWQDNJLOGEJ-LJHODMEESA-N 0 0 331.412 1.661 10 0 EDAERN COc1ccc(-n2ccc(C(=O)N3CC(NC(=O)C4CC4)C3)n2)cc1 ZINC000189502551 442968901 /nfs/dbraw/zinc/96/89/01/442968901.db2.gz VHDOMMWKVFVWMQ-UHFFFAOYSA-N 0 0 340.383 1.232 10 0 EDAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000189502880 442969390 /nfs/dbraw/zinc/96/93/90/442969390.db2.gz LZKIRAHKLCIVLP-HFTRVMKXSA-N 0 0 329.400 1.728 10 0 EDAERN COc1ccccc1C(=O)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000184014660 442982670 /nfs/dbraw/zinc/98/26/70/442982670.db2.gz ALCVXQGRRUYVAY-GFCCVEGCSA-N 0 0 342.399 1.724 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189610705 442984384 /nfs/dbraw/zinc/98/43/84/442984384.db2.gz ZIGHUSXKTMOUEV-QWHCGFSZSA-N 0 0 332.466 1.264 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1nc3ccccn3n1)CC2 ZINC000184414277 443018671 /nfs/dbraw/zinc/01/86/71/443018671.db2.gz AQYLITSREODNMS-JTQLQIEISA-N 0 0 326.364 1.020 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(CC(=O)OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000189915340 443028366 /nfs/dbraw/zinc/02/83/66/443028366.db2.gz PIRGKOKSLUBSQJ-RHSMWYFYSA-N 0 0 348.443 1.319 10 0 EDAERN CCCCn1cc(C(=O)N[C@H]2CCc3nc(CC)nn3C2)c(C)n1 ZINC000184540971 443035667 /nfs/dbraw/zinc/03/56/67/443035667.db2.gz OSDSOGVTIAMREV-ZDUSSCGKSA-N 0 0 330.436 1.890 10 0 EDAERN CCCCCNC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000189952803 443036393 /nfs/dbraw/zinc/03/63/93/443036393.db2.gz IFSOMXKAFAULEO-ZDUSSCGKSA-N 0 0 328.438 1.091 10 0 EDAERN O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)C(=O)N1CCCC1 ZINC000252533091 443042110 /nfs/dbraw/zinc/04/21/10/443042110.db2.gz FVEZCZXLPURTAP-HLLBOEOZSA-N 0 0 344.411 1.172 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(COC(C)(C)C)on2)CC1 ZINC000184882212 443090853 /nfs/dbraw/zinc/09/08/53/443090853.db2.gz QNARGPPQGNYGTQ-ZDUSSCGKSA-N 0 0 339.436 1.518 10 0 EDAERN COc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1 ZINC000224189719 443096938 /nfs/dbraw/zinc/09/69/38/443096938.db2.gz LIMABIVRKWULNQ-UHFFFAOYSA-N 0 0 336.417 1.338 10 0 EDAERN Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c(C)n1CC(F)(F)F ZINC000184736271 443069505 /nfs/dbraw/zinc/06/95/05/443069505.db2.gz LLGGCHWOXWXDQN-VXGBXAGGSA-N 0 0 334.338 1.277 10 0 EDAERN CCCn1ccnc1CCCN(C)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000190556385 443135846 /nfs/dbraw/zinc/13/58/46/443135846.db2.gz RMNZAUIFLPGLBG-CQSZACIVSA-N 0 0 345.451 1.994 10 0 EDAERN CCSCc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)no1 ZINC000184936518 443102376 /nfs/dbraw/zinc/10/23/76/443102376.db2.gz CIYQHLRPPHIDGJ-LBPRGKRZSA-N 0 0 325.434 1.474 10 0 EDAERN CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](O)[C@@H]2OC(C)(C)O[C@H]21 ZINC000256007253 443114927 /nfs/dbraw/zinc/11/49/27/443114927.db2.gz VPKJZKUJGTXJPV-QUTCXQLSSA-N 0 0 332.393 1.169 10 0 EDAERN CC(=O)N[C@@H]1CN(C(=O)c2cccc(OC(F)(F)F)c2)C[C@H]1CO ZINC000257182549 443118551 /nfs/dbraw/zinc/11/85/51/443118551.db2.gz GQVHBLISAHLYDF-WCQYABFASA-N 0 0 346.305 1.154 10 0 EDAERN O=S1(=O)CCCCN1c1ccc(I)cn1 ZINC000228320760 443124692 /nfs/dbraw/zinc/12/46/92/443124692.db2.gz JVFMFZPVCMGFIC-UHFFFAOYSA-N 0 0 338.170 1.616 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)C1 ZINC000185286325 443176330 /nfs/dbraw/zinc/17/63/30/443176330.db2.gz VKTXWLJEDJRKKL-AWEZNQCLSA-N 0 0 348.443 1.859 10 0 EDAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(N)cc2)C12CCOCC2 ZINC000185157691 443150050 /nfs/dbraw/zinc/15/00/50/443150050.db2.gz CKNHGNPSICEBAE-HUUCEWRRSA-N 0 0 340.445 1.521 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1CCN([C@@H](C(=O)[O-])c2cccs2)[C@@H]1[NH3+] ZINC000257353922 443156605 /nfs/dbraw/zinc/15/66/05/443156605.db2.gz UQYYJSCJKCMPTO-JLLWLGSASA-N 0 0 326.418 1.822 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[C@@H](OCC)C(C)C ZINC000245416827 443225459 /nfs/dbraw/zinc/22/54/59/443225459.db2.gz FLUVLEZYCJLUIS-LSDHHAIUSA-N 0 0 348.509 1.758 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000191018048 443226608 /nfs/dbraw/zinc/22/66/08/443226608.db2.gz MIKGYKIRSVAXKU-ZDUSSCGKSA-N 0 0 328.453 1.676 10 0 EDAERN CCO[C@H](CCNC(=O)N1CCN(CCOC)[C@@H](C)C1)C(C)C ZINC000245440920 443227826 /nfs/dbraw/zinc/22/78/26/443227826.db2.gz VAITZSTUYATWJP-JKSUJKDBSA-N 0 0 329.485 1.800 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C12CCOCC2 ZINC000185700112 443240904 /nfs/dbraw/zinc/24/09/04/443240904.db2.gz RVVKWMSJOGVMTD-GJZGRUSLSA-N 0 0 340.464 1.955 10 0 EDAERN CC[C@@H](NC(=O)N1CC(NC(=O)COC)C1)c1cc(F)ccc1F ZINC000185500023 443210422 /nfs/dbraw/zinc/21/04/22/443210422.db2.gz XIDUDVBYKLWPBJ-CQSZACIVSA-N 0 0 341.358 1.572 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000191177842 443254195 /nfs/dbraw/zinc/25/41/95/443254195.db2.gz KBVNTWSWEDQGDY-CQSZACIVSA-N 0 0 341.415 1.335 10 0 EDAERN Cn1nc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1OC(F)F ZINC000185879894 443274469 /nfs/dbraw/zinc/27/44/69/443274469.db2.gz OIFPUIKXAZTHJY-BMIGLBTASA-N 0 0 329.347 1.789 10 0 EDAERN CCSCc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000185927719 443285174 /nfs/dbraw/zinc/28/51/74/443285174.db2.gz PIMPSXLQBOWDLF-LBPRGKRZSA-N 0 0 337.405 1.568 10 0 EDAERN CCN1CCO[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)C1 ZINC000246129984 443270776 /nfs/dbraw/zinc/27/07/76/443270776.db2.gz KUCMIANTOHYJBB-RCBQFDQVSA-N 0 0 340.370 1.320 10 0 EDAERN CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186005110 443296940 /nfs/dbraw/zinc/29/69/40/443296940.db2.gz ZUZACKBLIDTJDB-MJBXVCDLSA-N 0 0 325.453 1.746 10 0 EDAERN O=C(NC1CC1)[C@@H](O)C1CCN(Cc2nc3c(cccc3F)[nH]2)CC1 ZINC000299747210 444134277 /nfs/dbraw/zinc/13/42/77/444134277.db2.gz CJJRPRRYVLBRSM-KRWDZBQOSA-N 0 0 346.406 1.554 10 0 EDAERN CCc1nnc2n1CCN(C1CN(C(=O)C3CCCCCC3)C1)C2 ZINC000328635349 444405261 /nfs/dbraw/zinc/40/52/61/444405261.db2.gz NHJCDTMDFXWPSY-UHFFFAOYSA-N 0 0 331.464 1.837 10 0 EDAERN CN(C)c1ccc(N[C@H]2CCCN(C(=O)Cn3ccnn3)CC2)cn1 ZINC000328636583 444406307 /nfs/dbraw/zinc/40/63/07/444406307.db2.gz OCXRSRCHXNDYNH-AWEZNQCLSA-N 0 0 343.435 1.232 10 0 EDAERN Cc1nnc([C@H]2COCCN2C(=O)c2cn3c(cccc3C)n2)o1 ZINC000328608972 444392275 /nfs/dbraw/zinc/39/22/75/444392275.db2.gz BUMDZBNYPVLMAV-CYBMUJFWSA-N 0 0 327.344 1.548 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(OCC4CC4)nc3)CCO2)o1 ZINC000328610605 444392706 /nfs/dbraw/zinc/39/27/06/444392706.db2.gz IOSXOOFPTLOLIM-AWEZNQCLSA-N 0 0 344.371 1.776 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3Oc4ccccc4[C@H]3C)CCO2)o1 ZINC000328613385 444393954 /nfs/dbraw/zinc/39/39/54/444393954.db2.gz RVNYQKIUAJDKHF-ONERCXAPSA-N 0 0 329.356 1.843 10 0 EDAERN Cn1c(C(=O)N2CCC[C@@](O)(C(N)=O)C2)ccc1-c1ccccc1 ZINC000375790866 447051449 /nfs/dbraw/zinc/05/14/49/447051449.db2.gz XCXUWTGCZOFLFX-SFHVURJKSA-N 0 0 327.384 1.145 10 0 EDAERN COc1nc(NC[C@@H]2CCCn3ccnc32)ncc1Br ZINC000372193285 447024122 /nfs/dbraw/zinc/02/41/22/447024122.db2.gz TVMCLKCHNBXHKT-VIFPVBQESA-N 0 0 338.209 2.434 10 0 EDAERN COC(=O)Cc1c(I)ccc(N)c1[N+](=O)[O-] ZINC000575640777 447879191 /nfs/dbraw/zinc/87/91/91/447879191.db2.gz PLYOUILWMMDEEP-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CC(=O)NC1CN(C(=O)/C=C\c2ccccc2OC(F)(F)F)C1 ZINC000493031682 448353841 /nfs/dbraw/zinc/35/38/41/448353841.db2.gz ZSWHDTBBNIAJEZ-SREVYHEPSA-N 0 0 328.290 1.945 10 0 EDAERN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(Cc2cnc(N(C)C)nc2)C1 ZINC000583617644 448445024 /nfs/dbraw/zinc/44/50/24/448445024.db2.gz VIOZVJFKNGIHON-KGLIPLIRSA-N 0 0 343.435 1.500 10 0 EDAERN O=C(COc1ccc2c(c1)CCC2)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617792 448445190 /nfs/dbraw/zinc/44/51/90/448445190.db2.gz SGBGUGDDWZJQNP-GOSISDBHSA-N 0 0 342.399 1.182 10 0 EDAERN CO[C@H]1C[C@@H](C(=O)NCc2ccc(OCC(F)(F)F)nc2)N(C)C1 ZINC000583617461 448445357 /nfs/dbraw/zinc/44/53/57/448445357.db2.gz UZNPQGJINHSDTL-RYUDHWBXSA-N 0 0 347.337 1.358 10 0 EDAERN CC(=O)N1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)CC[C@@H]1C(F)(F)F ZINC000583620015 448450673 /nfs/dbraw/zinc/45/06/73/448450673.db2.gz JHTOQKBEGIZSNF-NWDGAFQWSA-N 0 0 345.321 1.057 10 0 EDAERN Cn1cnnc1[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)CCO1 ZINC000583623943 448454180 /nfs/dbraw/zinc/45/41/80/448454180.db2.gz YYNAIGPYAQVCJD-UKRRQHHQSA-N 0 0 327.388 1.238 10 0 EDAERN CC1(C)OC(=O)C(C(N)=Nc2ccnn2Cc2ccccc2)C(=O)O1 ZINC000584660195 448589726 /nfs/dbraw/zinc/58/97/26/448589726.db2.gz PTWBLKFEGHCQOO-UHFFFAOYSA-N 0 0 342.355 1.350 10 0 EDAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1cc(Cl)cc(Cl)c1 ZINC000625593950 450442234 /nfs/dbraw/zinc/44/22/34/450442234.db2.gz CGNZFOGADUSOEO-WDEREUQCSA-N 0 0 326.201 1.422 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2cccc(CO)c2)C1 ZINC000616601312 450454431 /nfs/dbraw/zinc/45/44/31/450454431.db2.gz BJODPJZTTQYIIH-QGZVFWFLSA-N 0 0 333.409 1.941 10 0 EDAERN NC(=O)c1cccc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)c1 ZINC000616604819 450455404 /nfs/dbraw/zinc/45/54/04/450455404.db2.gz OQVOFXYOULJIAY-INIZCTEOSA-N 0 0 345.424 1.121 10 0 EDAERN NC(=O)c1cccc([C@@H]2COCCN2S(=O)(=O)c2ccccc2)c1 ZINC000616642350 450457110 /nfs/dbraw/zinc/45/71/10/450457110.db2.gz IGWVENQOQHGTTI-INIZCTEOSA-N 0 0 346.408 1.548 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC000619318870 450458251 /nfs/dbraw/zinc/45/82/51/450458251.db2.gz TZEXOCUGRLUFRV-SWLSCSKDSA-N 0 0 340.387 1.209 10 0 EDAERN O=S(=O)(c1ccccc1)N1C[C@@H](c2nnn[n-]2)Nc2ccccc21 ZINC000616679116 450459326 /nfs/dbraw/zinc/45/93/26/450459326.db2.gz CEYHLVTYDKJIPK-ZDUSSCGKSA-N 0 0 342.384 1.562 10 0 EDAERN COc1cc(C(=O)NC2CC(CO)C2)cc(OC)c1Br ZINC000620887999 450555261 /nfs/dbraw/zinc/55/52/61/450555261.db2.gz PGAQIGUTXAOMLX-UHFFFAOYSA-N 0 0 344.205 1.967 10 0 EDAERN Cn1cc(O[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@H]2O)cn1 ZINC000624422325 450844164 /nfs/dbraw/zinc/84/41/64/450844164.db2.gz PAMPCJLAIDPGCS-GHMZBOCLSA-N 0 0 328.294 1.462 10 0 EDAERN O=C(CCOc1ccccc1Cl)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000633584070 450928363 /nfs/dbraw/zinc/92/83/63/450928363.db2.gz DCSVWVAUAFLDBL-CHWSQXEVSA-N 0 0 336.779 1.145 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1cc(O)cc(Br)c1 ZINC000633915880 451091735 /nfs/dbraw/zinc/09/17/35/451091735.db2.gz MSHWXPMULWRPJK-ZDUSSCGKSA-N 0 0 343.221 1.557 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3nncn3-c3ccccc3)C[C@@H](C)O2)o1 ZINC000661928742 452684499 /nfs/dbraw/zinc/68/44/99/452684499.db2.gz PFYVEHVGTMKGTO-IUODEOHRSA-N 0 0 340.387 1.921 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000643859891 452754560 /nfs/dbraw/zinc/75/45/60/452754560.db2.gz TWSZKBBNVOGQLU-CVEARBPZSA-N 0 0 346.406 1.969 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Br)cc1C ZINC000664267598 452949579 /nfs/dbraw/zinc/94/95/79/452949579.db2.gz DBOGNODTOYYPMQ-UWVGGRQHSA-N 0 0 335.223 1.376 10 0 EDAERN CCCNC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000075067310 486820691 /nfs/dbraw/zinc/82/06/91/486820691.db2.gz GNLNETUIVXUWAF-UHFFFAOYSA-N 0 0 325.434 1.549 10 0 EDAERN Cn1ncnc1-c1ccn2c(I)cnc2c1 ZINC000203946564 486847378 /nfs/dbraw/zinc/84/73/78/486847378.db2.gz NUBKCMKXXRYRMU-UHFFFAOYSA-N 0 0 325.113 1.734 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NC(C)C ZINC000212355550 485666439 /nfs/dbraw/zinc/66/64/39/485666439.db2.gz UMOQPVLPDIPTHL-CZUORRHYSA-N 0 0 333.432 1.472 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1N1CCOCC1 ZINC000669319128 485965378 /nfs/dbraw/zinc/96/53/78/485965378.db2.gz JHLCKZFSFJWWMK-OCCSQVGLSA-N 0 0 329.404 1.092 10 0 EDAERN O[C@@]1(Cn2ccnn2)CCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000671554075 486650436 /nfs/dbraw/zinc/65/04/36/486650436.db2.gz MIQIRRGYYLNZPJ-ZDUSSCGKSA-N 0 0 328.203 1.617 10 0 EDAERN Cc1c(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cnn1C ZINC000090475693 491199356 /nfs/dbraw/zinc/19/93/56/491199356.db2.gz UNUOZCUZOHSVAM-NSHDSACASA-N 0 0 326.356 1.029 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1OCCc2ccccc21 ZINC000124618586 491005427 /nfs/dbraw/zinc/00/54/27/491005427.db2.gz UZFXMCDEYARCAK-GDBMZVCRSA-N 0 0 342.399 1.690 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000127111111 491016317 /nfs/dbraw/zinc/01/63/17/491016317.db2.gz HTWSFQHJTXZPAO-ZIAGYGMSSA-N 0 0 348.509 1.350 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3c[nH]nc3C3CC3)CCO2)n1 ZINC000190361811 500955957 /nfs/dbraw/zinc/95/59/57/500955957.db2.gz GZYWCGAFSYDJDD-CQSZACIVSA-N 0 0 329.404 1.642 10 0 EDAERN C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173967670 533870611 /nfs/dbraw/zinc/87/06/11/533870611.db2.gz NQLZSABXLSYILG-YOEHRIQHSA-N 0 0 340.427 1.869 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000183745515 533964237 /nfs/dbraw/zinc/96/42/37/533964237.db2.gz GVEZGVCDVQXKSV-ZDUSSCGKSA-N 0 0 332.381 1.935 10 0 EDAERN NC(=O)[C@H]1CCCN(C(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)C1 ZINC000184808340 534447924 /nfs/dbraw/zinc/44/79/24/534447924.db2.gz FTGLXNOIHMANAN-OLZOCXBDSA-N 0 0 341.411 1.291 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)N2CCC[C@H]2CO)c(Cl)c1 ZINC000167031347 534530321 /nfs/dbraw/zinc/53/03/21/534530321.db2.gz SXJURMIXOKCFJR-VIFPVBQESA-N 0 0 334.850 1.120 10 0 EDAERN Cc1cccc(F)c1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000185097818 534740522 /nfs/dbraw/zinc/74/05/22/534740522.db2.gz UFNTVOQLAPCHSQ-UKRRQHHQSA-N 0 0 342.436 1.475 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000181586817 534745967 /nfs/dbraw/zinc/74/59/67/534745967.db2.gz OAADBKRULSIJPB-ZDUSSCGKSA-N 0 0 331.424 1.221 10 0 EDAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000246309427 524101753 /nfs/dbraw/zinc/10/17/53/524101753.db2.gz DAJVZWDGCONGEX-DZGCQCFKSA-N 0 0 325.434 1.511 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000190229714 526709175 /nfs/dbraw/zinc/70/91/75/526709175.db2.gz PYANXSTWDSCJQY-VIFPVBQESA-N 0 0 347.350 1.467 10 0 EDAERN CC(C)(C)c1nnc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)s1 ZINC000173863719 526893941 /nfs/dbraw/zinc/89/39/41/526893941.db2.gz AGXVZJDFXWGXPD-LLVKDONJSA-N 0 0 339.465 1.774 10 0 EDAERN CC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168877214 527758179 /nfs/dbraw/zinc/75/81/79/527758179.db2.gz RLAUBFBSCZDHOY-CABZTGNLSA-N 0 0 340.221 1.716 10 0 EDAERN CC(C)CNC(=O)[C@H](C)n1cnc(Cl)c(Br)c1=O ZINC000164876088 528057937 /nfs/dbraw/zinc/05/79/37/528057937.db2.gz ZLUKOUWVHABXKS-ZETCQYMHSA-N 0 0 336.617 1.992 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2nccn(C)c2=O)C12CCCC2 ZINC000183856479 528128814 /nfs/dbraw/zinc/12/88/14/528128814.db2.gz VORQNZBTYPGSPA-STQMWFEESA-N 0 0 334.420 1.982 10 0 EDAERN CCNC(=O)[C@@H](C)S(=O)(=O)c1cc(Br)ccc1N ZINC000167149753 528195955 /nfs/dbraw/zinc/19/59/55/528195955.db2.gz ULLDWOJHYGCTAZ-SSDOTTSWSA-N 0 0 335.223 1.330 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NCC(=O)NCC2CC2)no1 ZINC000183774913 528307475 /nfs/dbraw/zinc/30/74/75/528307475.db2.gz RGRUHAFGKGQXEK-LBPRGKRZSA-N 0 0 335.408 1.566 10 0 EDAERN CCOc1ccc(OC)cc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000131964230 528560823 /nfs/dbraw/zinc/56/08/23/528560823.db2.gz BLKWWBHJWGPVRF-NSHDSACASA-N 0 0 331.376 1.822 10 0 EDAERN CCCOc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000190168731 528671729 /nfs/dbraw/zinc/67/17/29/528671729.db2.gz GYUCDKLWPSBFSS-UHFFFAOYSA-N 0 0 331.416 1.895 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CCC(=O)Nc1ccc(F)cc1 ZINC000176572991 528703344 /nfs/dbraw/zinc/70/33/44/528703344.db2.gz JSDHEFJARWREFD-HSZRJFAPSA-N 0 0 339.396 1.671 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccccc1C ZINC000173813592 528873536 /nfs/dbraw/zinc/87/35/36/528873536.db2.gz ZQRYDMKSUVDRAO-GDBMZVCRSA-N 0 0 346.427 1.974 10 0 EDAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247242494 534921981 /nfs/dbraw/zinc/92/19/81/534921981.db2.gz SKKBTVZMRHOJEI-KKUMJFAQSA-N 0 0 347.459 1.603 10 0 EDAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@@H](C)c2csc(C)n2)C1 ZINC000333024401 535659714 /nfs/dbraw/zinc/65/97/14/535659714.db2.gz AVAZDZSYAZEKFR-VIFPVBQESA-N 0 0 346.478 1.093 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)CCO2)cn1 ZINC000249215995 536090164 /nfs/dbraw/zinc/09/01/64/536090164.db2.gz ZPLURAJWNOSVDR-FMKPAKJESA-N 0 0 349.431 1.782 10 0 EDAERN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194876418 536360222 /nfs/dbraw/zinc/36/02/22/536360222.db2.gz JUMHXRMYZOHAIF-ZDUSSCGKSA-N 0 0 344.390 1.743 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)C(C)C ZINC000178714282 536381501 /nfs/dbraw/zinc/38/15/01/536381501.db2.gz KDQDFUAGSMKRCZ-LLVKDONJSA-N 0 0 333.310 1.523 10 0 EDAERN CO[C@@H]1COC[C@H]1N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000333733956 536757088 /nfs/dbraw/zinc/75/70/88/536757088.db2.gz UOMWMWFSYKXUTK-RKDXNWHRSA-N 0 0 338.355 1.093 10 0 EDAERN COc1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1F ZINC000188805579 536878036 /nfs/dbraw/zinc/87/80/36/536878036.db2.gz SYCIGRGLOPXHDZ-UHFFFAOYSA-N 0 0 335.379 1.644 10 0 EDAERN O=C(c1ccc(Br)o1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794064879 580870747 /nfs/dbraw/zinc/87/07/47/580870747.db2.gz CCVCDNADNVEEPP-GFCCVEGCSA-N 0 0 341.165 1.284 10 0 EDAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000888077449 590933146 /nfs/dbraw/zinc/93/31/46/590933146.db2.gz BRQJSFHBYKQEAY-KRWDZBQOSA-N 0 0 333.436 1.670 10 0 EDAERN O[C@@H]1C[C@H](c2nnc[nH]2)C[C@@H]1CNc1cnc2cc(F)c(F)cc2n1 ZINC000888078306 590935497 /nfs/dbraw/zinc/93/54/97/590935497.db2.gz IBTKVXZMASUQHO-RFXMVYNHSA-N 0 0 346.341 1.993 10 0 EDAERN Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079438 590936715 /nfs/dbraw/zinc/93/67/15/590936715.db2.gz BDQHFMXECJIIOV-RRFJBIMHSA-N 0 0 338.367 1.951 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c(F)cc1F ZINC000888095550 591026014 /nfs/dbraw/zinc/02/60/14/591026014.db2.gz QFVIGXDILZZDAB-DZKIICNBSA-N 0 0 338.354 1.829 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)ccn1 ZINC000888099403 591028888 /nfs/dbraw/zinc/02/88/88/591028888.db2.gz YCKXMPSNTWOVSI-UKRRQHHQSA-N 0 0 343.431 1.354 10 0 EDAERN COCCN1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@@H]1C ZINC000896421308 591462766 /nfs/dbraw/zinc/46/27/66/591462766.db2.gz WUQXYEMGUUUMKW-BBRMVZONSA-N 0 0 331.416 1.040 10 0 EDAERN O[C@@]1(Cc2nc(C3CC3)no2)CCCN(c2ncc(Cl)cn2)C1 ZINC000818146027 593674637 /nfs/dbraw/zinc/67/46/37/593674637.db2.gz SKRJKVQHUIMNJF-OAHLLOKOSA-N 0 0 335.795 1.964 10 0 EDAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)c1cccc(C3CCC3)c1)C2 ZINC000818347026 593694062 /nfs/dbraw/zinc/69/40/62/593694062.db2.gz PIUCBHQJMPUVMB-HNNXBMFYSA-N 0 0 339.399 1.364 10 0 EDAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)CCc1cc(C)cc(C)c1)C2 ZINC000818352256 593694297 /nfs/dbraw/zinc/69/42/97/593694297.db2.gz ZGLNMOHFWYLQKW-OAHLLOKOSA-N 0 0 341.415 1.032 10 0 EDAERN Cn1cc([C@@H]2[C@@H](C(=O)OCc3cccnc3)CCC(=O)N2C)cn1 ZINC000115202621 595532931 /nfs/dbraw/zinc/53/29/31/595532931.db2.gz IXRKEVUTHAYLDX-GOEBONIOSA-N 0 0 328.372 1.468 10 0 EDAERN Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3ccc(F)c(F)c3)C2)n[nH]1 ZINC000857725498 595586638 /nfs/dbraw/zinc/58/66/38/595586638.db2.gz BPTJQIKYLILWPG-MISXGVKJSA-N 0 0 336.342 1.676 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cn3ncn(C4CC4)c3=S)CCO2)c1 ZINC000112072119 596016688 /nfs/dbraw/zinc/01/66/88/596016688.db2.gz MXJIMBRPPASNSL-CQSZACIVSA-N 0 0 334.449 1.612 10 0 EDAERN CCc1noc([C@H](C)N2CCN(CN3CCSC3=S)CC2)n1 ZINC000112070702 596016862 /nfs/dbraw/zinc/01/68/62/596016862.db2.gz IRFQQDDGHLHNBN-NSHDSACASA-N 0 0 341.506 1.602 10 0 EDAERN CCn1c2[nH]c(-c3ccc(Br)s3)nc2c(=O)[nH]c1=O ZINC000122212104 596238955 /nfs/dbraw/zinc/23/89/55/596238955.db2.gz REGIKABJQWQUFR-UHFFFAOYSA-N 0 0 341.190 1.924 10 0 EDAERN Cc1ocnc1C(=O)N1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000864858104 596391275 /nfs/dbraw/zinc/39/12/75/596391275.db2.gz JIOPXMILMAXZCE-LBPRGKRZSA-N 0 0 343.387 1.709 10 0 EDAERN CC(C)c1noc([C@]23CCC[C@H]2CN(C(=O)c2c[nH]c(=O)n2C)C3)n1 ZINC000869155835 596427565 /nfs/dbraw/zinc/42/75/65/596427565.db2.gz KBFGVUJRCXBCKO-GTNSWQLSSA-N 0 0 345.403 1.826 10 0 EDAERN CC(C)N(Cc1cccs1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126686490 597553031 /nfs/dbraw/zinc/55/30/31/597553031.db2.gz PEGFZXNVHDJHGA-LBPRGKRZSA-N 0 0 330.475 1.262 10 0 EDAERN Cn1cnn(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)c1=O ZINC000132042385 597785840 /nfs/dbraw/zinc/78/58/40/597785840.db2.gz QVXPMUKCVPYTRS-LLVKDONJSA-N 0 0 337.449 1.367 10 0 EDAERN CC(C)[C@H](C)CNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000184734086 698053538 /nfs/dbraw/zinc/05/35/38/698053538.db2.gz HWKJUXQIMOCEIZ-NEPJUHHUSA-N 0 0 337.445 1.522 10 0 EDAERN CC(=O)N1CCN(Cc2ccc(NC(=O)C[C@H](O)C(C)C)cc2)CC1 ZINC000181360416 699524571 /nfs/dbraw/zinc/52/45/71/699524571.db2.gz RWLOYPPGYRUDEI-SFHVURJKSA-N 0 0 347.459 1.696 10 0 EDAERN Cn1nccc1CCNC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000185808514 705257482 /nfs/dbraw/zinc/25/74/82/705257482.db2.gz KIEUBXULFRDYDC-OLZOCXBDSA-N 0 0 336.436 1.772 10 0 EDAERN CNC(=O)[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1)C(C)C ZINC000178684716 290603137 /nfs/dbraw/zinc/60/31/37/290603137.db2.gz AHQCNFABMCOBAU-DOTOQJQBSA-N 0 0 333.432 1.449 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)nn1C ZINC000192148700 282099333 /nfs/dbraw/zinc/09/93/33/282099333.db2.gz XGVBOEHHLPNYTD-QMMMGPOBSA-N 0 0 339.197 1.347 10 0 EDAERN CC(C)NC(=O)CCN1c2cccc(Br)c2C(=O)C1=O ZINC000054048626 214213244 /nfs/dbraw/zinc/21/32/44/214213244.db2.gz JGEAIWWWKIYXQA-UHFFFAOYSA-N 0 0 339.189 1.893 10 0 EDAERN CCn1c(-c2ccc(COC)cc2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000173744349 231020791 /nfs/dbraw/zinc/02/07/91/231020791.db2.gz IBBKHKQBVANSDO-UHFFFAOYSA-N 0 0 328.372 1.740 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1 ZINC000173752057 231023457 /nfs/dbraw/zinc/02/34/57/231023457.db2.gz ROBIVVQSDSAVDO-GHMZBOCLSA-N 0 0 331.463 1.095 10 0 EDAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174010020 231098230 /nfs/dbraw/zinc/09/82/30/231098230.db2.gz KBNQVGJSBRQKNT-ZDUSSCGKSA-N 0 0 342.399 1.040 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3C[C@@]34CCc3ccccc34)CCO2)[nH]1 ZINC000174643499 231265909 /nfs/dbraw/zinc/26/59/09/231265909.db2.gz MOMFOWAZKMWLGI-JTDSTZFVSA-N 0 0 338.411 1.917 10 0 EDAERN CC[C@@]1(C)NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168909507 529537854 /nfs/dbraw/zinc/53/78/54/529537854.db2.gz RQIQBKGHVRYYLG-CYBMUJFWSA-N 0 0 326.194 1.471 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)C(=O)N(C)C ZINC000246492426 299095169 /nfs/dbraw/zinc/09/51/69/299095169.db2.gz WFXAUMRQWSZTNY-NUEKZKHPSA-N 0 0 333.432 1.761 10 0 EDAERN CC(C)CN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O ZINC000008187931 201740124 /nfs/dbraw/zinc/74/01/24/201740124.db2.gz RCCKIEFNTISSPL-UHFFFAOYSA-N 0 0 331.397 1.771 10 0 EDAERN CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)C(C)C)C2)nn1 ZINC000014954611 201945124 /nfs/dbraw/zinc/94/51/24/201945124.db2.gz KXRZDELZVLABPS-AWEZNQCLSA-N 0 0 335.452 1.655 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000155400030 539919111 /nfs/dbraw/zinc/91/91/11/539919111.db2.gz AXMUXGTWDLKUTA-INIZCTEOSA-N 0 0 341.415 1.335 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2cnn(CC3CC3)c2)cn1 ZINC000177923263 540107710 /nfs/dbraw/zinc/10/77/10/540107710.db2.gz IKRPBDGTIKUGIC-OAHLLOKOSA-N 0 0 342.403 1.329 10 0 EDAERN COc1cc(CCNC(=O)N[C@H]2CCCn3nc(C)nc32)ccc1O ZINC000175785434 540098290 /nfs/dbraw/zinc/09/82/90/540098290.db2.gz YIOUEZQNOKYBPK-ZDUSSCGKSA-N 0 0 345.403 1.678 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)C(C)C ZINC000179081780 540115057 /nfs/dbraw/zinc/11/50/57/540115057.db2.gz GSHGPZWEMZJWSD-LLVKDONJSA-N 0 0 329.759 1.304 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000181800978 540128328 /nfs/dbraw/zinc/12/83/28/540128328.db2.gz NCDVIFSVYVLPAZ-DZGCQCFKSA-N 0 0 345.378 1.595 10 0 EDAERN COC[C@@H](C)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000183723441 235207908 /nfs/dbraw/zinc/20/79/08/235207908.db2.gz YEFHASQTRYJBOT-SKDRFNHKSA-N 0 0 343.221 1.716 10 0 EDAERN CCCCc1nnc(NC(=O)CN[C@@H](C(=O)NC)C(C)C)s1 ZINC000183674926 540140030 /nfs/dbraw/zinc/14/00/30/540140030.db2.gz NGYFUNLRGWHARD-GFCCVEGCSA-N 0 0 327.454 1.179 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000189130066 540162993 /nfs/dbraw/zinc/16/29/93/540162993.db2.gz MPVVFRUNMUNEAX-PAYONLEZSA-N 0 0 346.427 1.265 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccc(F)cn3)CC2)n1 ZINC000184270251 235351736 /nfs/dbraw/zinc/35/17/36/235351736.db2.gz DWPHLXXZMRBUPK-UHFFFAOYSA-N 0 0 331.351 1.372 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)[C@H](CC)CSC ZINC000246172044 535297169 /nfs/dbraw/zinc/29/71/69/535297169.db2.gz VJNGENTVVSSMGM-OLZOCXBDSA-N 0 0 336.523 1.791 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](COCC)C1 ZINC000246994994 535297185 /nfs/dbraw/zinc/29/71/85/535297185.db2.gz OOYADKMCHWKBEO-CABCVRRESA-N 0 0 346.493 1.466 10 0 EDAERN CC(C)Cc1nc(CN(C)C(=O)c2[nH]c(=O)nc3ccccc32)no1 ZINC000019952846 202027334 /nfs/dbraw/zinc/02/73/34/202027334.db2.gz HKKGSBLJNKFCAN-UHFFFAOYSA-N 0 0 341.371 1.777 10 0 EDAERN Cc1sc2nc(C)n(CC(=O)NC[C@@H]3CCCO3)c(=O)c2c1C ZINC000019989919 202028540 /nfs/dbraw/zinc/02/85/40/202028540.db2.gz KTOWNPIHZMPGRX-LBPRGKRZSA-N 0 0 335.429 1.678 10 0 EDAERN COc1ccc(-c2cnnc(NCCn3ccnc3)n2)cc1OC ZINC000020200929 202035132 /nfs/dbraw/zinc/03/51/32/202035132.db2.gz XSAMULZGMNHSIP-UHFFFAOYSA-N 0 0 326.360 1.864 10 0 EDAERN O=C1NC[C@@H](CN2C(=O)C(=O)c3ccc(Br)cc32)O1 ZINC000020254300 202037077 /nfs/dbraw/zinc/03/70/77/202037077.db2.gz CABBPLRPEHYZTE-ZETCQYMHSA-N 0 0 325.118 1.087 10 0 EDAERN CN1CCN(C(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)CC1 ZINC000020449961 202042673 /nfs/dbraw/zinc/04/26/73/202042673.db2.gz DLHFATFIDBBORD-UHFFFAOYSA-N 0 0 346.456 1.111 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@@H]1c1cccnc1 ZINC000037859355 202044839 /nfs/dbraw/zinc/04/48/39/202044839.db2.gz RICLTQPXQIGPHZ-LLVKDONJSA-N 0 0 325.415 1.666 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(Br)ccc1N)[C@H]1CCCO1 ZINC000037929580 202065366 /nfs/dbraw/zinc/06/53/66/202065366.db2.gz FSVJJNUPSWAILF-LDYMZIIASA-N 0 0 349.250 1.877 10 0 EDAERN O=C([O-])[C@H]1CCC[N@@H+]1C1CCN(Cc2nnsc2Cl)CC1 ZINC000038042720 202090752 /nfs/dbraw/zinc/09/07/52/202090752.db2.gz UCGXFFCMLWJFQH-LLVKDONJSA-N 0 0 330.841 1.705 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000077365399 138252372 /nfs/dbraw/zinc/25/23/72/138252372.db2.gz MIMSHJZJSGXZMS-PHIMTYICSA-N 0 0 341.358 1.129 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000082976577 138268256 /nfs/dbraw/zinc/26/82/56/138268256.db2.gz CDSXXVLFUUPHNF-BXUZGUMPSA-N 0 0 342.403 1.748 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cn(CCC(C)C)nn1 ZINC000088198550 138272108 /nfs/dbraw/zinc/27/21/08/138272108.db2.gz XVIFYSMQLYMHSL-GFCCVEGCSA-N 0 0 331.424 1.743 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCN(C)CC(F)(F)F ZINC000083703046 138269384 /nfs/dbraw/zinc/26/93/84/138269384.db2.gz WCQLWDHZSZVEGY-LLVKDONJSA-N 0 0 348.373 1.605 10 0 EDAERN O=C(/C=C/c1ccc(Cl)s1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796206 138270257 /nfs/dbraw/zinc/27/02/57/138270257.db2.gz WLNXBDIDAPATCZ-CXLRFSCWSA-N 0 0 325.777 1.225 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(CCOC)CC(F)F ZINC000087250258 138271632 /nfs/dbraw/zinc/27/16/32/138271632.db2.gz AOVKXUGNCMARPN-SNVBAGLBSA-N 0 0 331.367 1.599 10 0 EDAERN C[C@@H](NC(=O)N1CCC(CC(=O)N2CCCC2)CC1)[C@@H]1CCCO1 ZINC000079485696 138261811 /nfs/dbraw/zinc/26/18/11/138261811.db2.gz GFCYBSWDAJUZRM-ZBFHGGJFSA-N 0 0 337.464 1.988 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cccnc2OCC(F)F)C1 ZINC000089757730 138274980 /nfs/dbraw/zinc/27/49/80/138274980.db2.gz RUBWHTQSLJSDKE-NSHDSACASA-N 0 0 327.331 1.466 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CCOCCCOC ZINC000091227953 138283182 /nfs/dbraw/zinc/28/31/82/138283182.db2.gz VCQNOKAOBIZGDO-CYBMUJFWSA-N 0 0 339.440 1.370 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)NC(C3CC3)C3CC3)CC2)nn1 ZINC000105801325 138301689 /nfs/dbraw/zinc/30/16/89/138301689.db2.gz SVIKBYJARPYRGT-UHFFFAOYSA-N 0 0 343.475 1.602 10 0 EDAERN COc1c(CN(CCO)CCOCC(F)(F)F)c(C)nn1C ZINC000093320044 138293358 /nfs/dbraw/zinc/29/33/58/138293358.db2.gz QVRAHWJEHDUTDO-UHFFFAOYSA-N 0 0 325.331 1.110 10 0 EDAERN O=C1N[C@H](c2ccc(-n3cnc4ccccc43)cc2)N2CCOC[C@@H]12 ZINC000093883165 138294897 /nfs/dbraw/zinc/29/48/97/138294897.db2.gz DIBNUGZJCVWJHX-ROUUACIJSA-N 0 0 334.379 1.855 10 0 EDAERN C[C@H](C(=O)NCC(F)(F)F)N1CCC(N(C)c2cccnn2)CC1 ZINC000105910517 138302463 /nfs/dbraw/zinc/30/24/63/138302463.db2.gz BWKUQPQOEGDJKE-LLVKDONJSA-N 0 0 345.369 1.444 10 0 EDAERN CCN1CCN(C(=O)CC2CCN(C(=O)[C@H](C)COC)CC2)CC1 ZINC000108757930 138305206 /nfs/dbraw/zinc/30/52/06/138305206.db2.gz DOQAZNHLEMSDHG-OAHLLOKOSA-N 0 0 339.480 1.062 10 0 EDAERN CN1CCO[C@H](CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000110490706 138307098 /nfs/dbraw/zinc/30/70/98/138307098.db2.gz JAVBWLGOHHJDGB-LLVKDONJSA-N 0 0 349.250 1.058 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CNC(=O)C(C)(C)C)C2)n1 ZINC000116782607 138312018 /nfs/dbraw/zinc/31/20/18/138312018.db2.gz INLANICEZIXDRE-AWEZNQCLSA-N 0 0 335.452 1.296 10 0 EDAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2COc3ccccc32)co1 ZINC000124594652 138328086 /nfs/dbraw/zinc/32/80/86/138328086.db2.gz UGFRPAGIAOBTIM-GFCCVEGCSA-N 0 0 336.369 1.393 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121613606 138317625 /nfs/dbraw/zinc/31/76/25/138317625.db2.gz UYEIIYLIPOEXRY-UGSOOPFHSA-N 0 0 344.415 1.027 10 0 EDAERN Cc1cnc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2C)s1 ZINC000123959042 138322614 /nfs/dbraw/zinc/32/26/14/138322614.db2.gz WONOSOLJFGSLIF-LBPRGKRZSA-N 0 0 333.417 1.586 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCc3c4ccccc4[nH]c3C2)C1 ZINC000130230182 138340377 /nfs/dbraw/zinc/34/03/77/138340377.db2.gz HDTFELNVTLTSHC-CYBMUJFWSA-N 0 0 328.416 1.566 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CSCCS1 ZINC000132562348 138378943 /nfs/dbraw/zinc/37/89/43/138378943.db2.gz HERZNBSXQXMGLU-QWRGUYRKSA-N 0 0 341.506 1.823 10 0 EDAERN C[C@@H]1CN(C(=O)CN2CC(=O)Oc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000031846429 202210417 /nfs/dbraw/zinc/21/04/17/202210417.db2.gz NXLMAMIEFJHKPF-PHIMTYICSA-N 0 0 338.791 1.701 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000132761398 138382451 /nfs/dbraw/zinc/38/24/51/138382451.db2.gz KFFILOJEMMCBDW-HNNXBMFYSA-N 0 0 334.397 1.932 10 0 EDAERN COc1cccc(OCC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000133656080 138396743 /nfs/dbraw/zinc/39/67/43/138396743.db2.gz DWTIVFIKXANCGM-CYBMUJFWSA-N 0 0 344.415 1.920 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)c2nc(C)cs2)C[C@H]1C ZINC000186820574 236032837 /nfs/dbraw/zinc/03/28/37/236032837.db2.gz NVHVEECSXDPCEC-GXTWGEPZSA-N 0 0 340.493 1.917 10 0 EDAERN COCCCN(CCO)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000187226480 236151776 /nfs/dbraw/zinc/15/17/76/236151776.db2.gz CVQTZVUMRIYLFN-OAHLLOKOSA-N 0 0 346.431 1.974 10 0 EDAERN O=C(Nc1ccc(F)cc1Cl)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187987262 236371584 /nfs/dbraw/zinc/37/15/84/236371584.db2.gz UKPWRDPHJWXICI-UHFFFAOYSA-N 0 0 339.754 1.155 10 0 EDAERN O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CO)C1 ZINC000167473400 138652995 /nfs/dbraw/zinc/65/29/95/138652995.db2.gz SGPGLHDUKMIVRS-LLVKDONJSA-N 0 0 334.199 1.982 10 0 EDAERN C[C@H](NC(=O)NCCc1cccc(C(=O)N(C)C)c1)[C@H]1CCCO1 ZINC000174950932 138689876 /nfs/dbraw/zinc/68/98/76/138689876.db2.gz GMOSWUISGSVOML-XJKSGUPXSA-N 0 0 333.432 1.798 10 0 EDAERN C[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)Cc1cccs1 ZINC000175009764 138690582 /nfs/dbraw/zinc/69/05/82/138690582.db2.gz PCBWRACZUDAETE-KGLIPLIRSA-N 0 0 325.478 1.947 10 0 EDAERN COc1ccc(Br)cc1Cn1cc(F)c(=O)[nH]c1=O ZINC000033855509 212966084 /nfs/dbraw/zinc/96/60/84/212966084.db2.gz MZZSZJKETOIROF-UHFFFAOYSA-N 0 0 329.125 1.495 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(F)cc2nc(C)c(C)nc21)C(C)C ZINC000178850868 138746592 /nfs/dbraw/zinc/74/65/92/138746592.db2.gz OMMDUZWNRHHZRM-CQSZACIVSA-N 0 0 332.379 1.886 10 0 EDAERN Cc1c2ncn(CC(=O)Nc3ccc(C)cc3C)c(=O)c2nn1C ZINC000032647349 212822420 /nfs/dbraw/zinc/82/24/20/212822420.db2.gz IISGXMGAZWWLDL-UHFFFAOYSA-N 0 0 325.372 1.694 10 0 EDAERN Cc1c2nnn(CC(=O)Nc3cc(C)ccc3Cl)c(=O)c2nn1C ZINC000032647412 212822055 /nfs/dbraw/zinc/82/20/55/212822055.db2.gz ZHGPKGYFFRNDIY-UHFFFAOYSA-N 0 0 346.778 1.434 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)CCc3ccoc3)CC2)n1 ZINC000175382761 237303871 /nfs/dbraw/zinc/30/38/71/237303871.db2.gz RGAOSCNPDOWTRL-UHFFFAOYSA-N 0 0 330.388 1.750 10 0 EDAERN CS(=O)(=O)c1ccc(Cl)c(N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000069135901 202268564 /nfs/dbraw/zinc/26/85/64/202268564.db2.gz SENLLURUDIXIPL-VIFPVBQESA-N 0 0 337.850 1.733 10 0 EDAERN COCCN[C@@]1(c2nc(C(C)C)cs2)CCCS(=O)(=O)C1 ZINC000069139699 202268668 /nfs/dbraw/zinc/26/86/68/202268668.db2.gz VXLOWMQBUVJXIR-AWEZNQCLSA-N 0 0 332.491 1.906 10 0 EDAERN CCOC(=O)[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)CC[C@]1(C)O ZINC000034741742 202277055 /nfs/dbraw/zinc/27/70/55/202277055.db2.gz DUJJLVJTVQPWIJ-ZFWWWQNUSA-N 0 0 327.402 1.072 10 0 EDAERN COc1ccc(C(=O)CN2CCN(C)CC2)cc1Br ZINC000035020456 202284588 /nfs/dbraw/zinc/28/45/88/202284588.db2.gz NHHXZDYYWYETPL-UHFFFAOYSA-N 0 0 327.222 1.888 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)c2cccc(C)c2)C[C@H]1C ZINC000036124264 202316308 /nfs/dbraw/zinc/31/63/08/202316308.db2.gz MJMTWCALNXBFIX-HUUCEWRRSA-N 0 0 326.462 1.725 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)c2ccc(F)c(C)c2)C[C@H]1C ZINC000036124104 202316325 /nfs/dbraw/zinc/31/63/25/202316325.db2.gz RSMOXQDMMCJCHS-ZIAGYGMSSA-N 0 0 344.452 1.864 10 0 EDAERN CCS(=O)(=O)N1CC(=O)N2CCc3ccc(Cl)cc3[C@H]2C1 ZINC000036138303 202317665 /nfs/dbraw/zinc/31/76/65/202317665.db2.gz JGDIFVNTBUYNEW-CYBMUJFWSA-N 0 0 328.821 1.431 10 0 EDAERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000070412106 202332961 /nfs/dbraw/zinc/33/29/61/202332961.db2.gz RGPPKODNJIMWOA-LLVKDONJSA-N 0 0 332.447 1.287 10 0 EDAERN O=S(=O)(Nc1ccc(Cl)c(O)c1)C1CCS(=O)(=O)CC1 ZINC000070333776 202333379 /nfs/dbraw/zinc/33/33/79/202333379.db2.gz UKFJOVWFHVHHOU-UHFFFAOYSA-N 0 0 339.822 1.365 10 0 EDAERN COCCOCCOc1c(Br)cc(CO)cc1OC ZINC000070481166 202334124 /nfs/dbraw/zinc/33/41/24/202334124.db2.gz UJYGAWJUONYCPJ-UHFFFAOYSA-N 0 0 335.194 1.992 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)NCc1cscn1 ZINC000070431721 202334673 /nfs/dbraw/zinc/33/46/73/202334673.db2.gz LPSKFCRDZAQOKX-UHFFFAOYSA-N 0 0 327.456 1.564 10 0 EDAERN CCN(CC(F)(F)F)S(=O)(=O)CCOc1ccccc1N ZINC000070491643 202334804 /nfs/dbraw/zinc/33/48/04/202334804.db2.gz XBKHBWVUYWSJCE-UHFFFAOYSA-N 0 0 326.340 1.862 10 0 EDAERN CCOCCN(CC)S(=O)(=O)c1cc(C(N)=S)ccc1C ZINC000070431716 202334912 /nfs/dbraw/zinc/33/49/12/202334912.db2.gz UBJNNYZMPFGDQC-UHFFFAOYSA-N 0 0 330.475 1.676 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N(CCCO)C(C)C ZINC000070431591 202334966 /nfs/dbraw/zinc/33/49/66/202334966.db2.gz ZUXDJBPLTMGYOL-UHFFFAOYSA-N 0 0 330.475 1.411 10 0 EDAERN Cc1cc2nc(NC(=O)CN(C)S(C)(=O)=O)sc2cc1C ZINC000036698665 202329616 /nfs/dbraw/zinc/32/96/16/202329616.db2.gz OGCCDYZCTXGZMW-UHFFFAOYSA-N 0 0 327.431 1.743 10 0 EDAERN Nc1ccncc1S(=O)(=O)NCc1ccccc1Br ZINC000071232807 202342127 /nfs/dbraw/zinc/34/21/27/202342127.db2.gz GHSFBXNVNGTBKK-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN CN(Cc1ccccc1Cl)S(=O)(=O)c1cnccc1NN ZINC000071220425 202343014 /nfs/dbraw/zinc/34/30/14/202343014.db2.gz YRTSLTWWGCRVQI-UHFFFAOYSA-N 0 0 326.809 1.841 10 0 EDAERN O[C@@H](CNc1ccccc1I)Cn1cccn1 ZINC000037885191 202372846 /nfs/dbraw/zinc/37/28/46/202372846.db2.gz WJFSWKNOSYCKGG-JTQLQIEISA-N 0 0 343.168 1.961 10 0 EDAERN COCCNC(=O)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000038934719 202409578 /nfs/dbraw/zinc/40/95/78/202409578.db2.gz PFRPXBUMPAQINN-UHFFFAOYSA-N 0 0 338.408 1.913 10 0 EDAERN COC(=O)c1ccccc1Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000039771049 202414535 /nfs/dbraw/zinc/41/45/35/202414535.db2.gz PEEGKAUVXURYFQ-UHFFFAOYSA-N 0 0 335.385 1.862 10 0 EDAERN CSCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC000040381103 202436053 /nfs/dbraw/zinc/43/60/53/202436053.db2.gz PNKVSGNTXWMVOJ-UHFFFAOYSA-N 0 0 329.230 1.942 10 0 EDAERN CCN(CC)C(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](C)C2)c1 ZINC000041229034 202477668 /nfs/dbraw/zinc/47/76/68/202477668.db2.gz YYPVKIGQUDAIFB-ZDUSSCGKSA-N 0 0 340.445 1.578 10 0 EDAERN CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCc2ccccc2C1 ZINC000041256419 202478660 /nfs/dbraw/zinc/47/86/60/202478660.db2.gz DWRGMJWDDSNVGV-KRWDZBQOSA-N 0 0 345.443 1.638 10 0 EDAERN Cc1n[nH]c(C)c1CNC(=O)CCc1nc2ccccc2[nH]c1=O ZINC000041531428 202482963 /nfs/dbraw/zinc/48/29/63/202482963.db2.gz JFXDVQVWMJOJIR-UHFFFAOYSA-N 0 0 325.372 1.512 10 0 EDAERN Cc1n[nH]c(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000041572736 202483762 /nfs/dbraw/zinc/48/37/62/202483762.db2.gz HDUBCDPGQFNBAT-GFCCVEGCSA-N 0 0 336.417 1.010 10 0 EDAERN O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000185260396 138803569 /nfs/dbraw/zinc/80/35/69/138803569.db2.gz GMKIMBSCXMWUCN-OAHLLOKOSA-N 0 0 342.399 1.992 10 0 EDAERN CC(C)NS(=O)(=O)c1ccccc1NC1CCS(=O)CC1 ZINC000158441010 201038220 /nfs/dbraw/zinc/03/82/20/201038220.db2.gz SXJLRHDQGQKWIF-UHFFFAOYSA-N 0 0 330.475 1.696 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(-c3ncon3)cc1)CC2 ZINC000114873228 201071776 /nfs/dbraw/zinc/07/17/76/201071776.db2.gz LJJAAVWAJCPQPB-CYBMUJFWSA-N 0 0 338.371 1.635 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1F)CC2 ZINC000114872808 201071887 /nfs/dbraw/zinc/07/18/87/201071887.db2.gz NCGLXUQNFIUEEB-LBPRGKRZSA-N 0 0 345.378 1.683 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(OC)ccc1OC)CC2 ZINC000114863308 201072182 /nfs/dbraw/zinc/07/21/82/201072182.db2.gz WWWRSWUKLQFOGH-LLVKDONJSA-N 0 0 330.388 1.603 10 0 EDAERN CCc1nnc2ccc(N[C@H]3CCc4nc(C(C)C)nn4C3)nn21 ZINC000112557209 201067289 /nfs/dbraw/zinc/06/72/89/201067289.db2.gz HFISRHQJIBBMJO-NSHDSACASA-N 0 0 326.408 1.829 10 0 EDAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1ccco1 ZINC000116211890 201075644 /nfs/dbraw/zinc/07/56/44/201075644.db2.gz TXAQRZCGYXHGJY-VXGBXAGGSA-N 0 0 329.443 1.863 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3cnco3)c2)C[C@H](C)O1 ZINC000052693776 201128288 /nfs/dbraw/zinc/12/82/88/201128288.db2.gz RSUNWUTVTYZHIE-RYUDHWBXSA-N 0 0 329.356 1.916 10 0 EDAERN CCn1c2ccccc2nc1SCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188062869 138831145 /nfs/dbraw/zinc/83/11/45/138831145.db2.gz JLHDIXHIROXVOL-GFCCVEGCSA-N 0 0 346.456 1.885 10 0 EDAERN O=S1(=O)CC[C@H](Oc2ccc(I)cc2)C1 ZINC000042418243 202494812 /nfs/dbraw/zinc/49/48/12/202494812.db2.gz QFZBKLUJDYSSPZ-JTQLQIEISA-N 0 0 338.166 1.857 10 0 EDAERN O=C1OCCOCCSCCOCCOC(=O)c2cccc1n2 ZINC000005573079 201362289 /nfs/dbraw/zinc/36/22/89/201362289.db2.gz XZVXEPBFNJQKEI-UHFFFAOYSA-N 0 0 341.385 1.175 10 0 EDAERN COCCOc1cc(Cc2cnc(N)nc2N)cc2cccnc21 ZINC000001551197 201358906 /nfs/dbraw/zinc/35/89/06/201358906.db2.gz JPJZDOMKOVMUEI-UHFFFAOYSA-N 0 0 325.372 1.805 10 0 EDAERN Cc1cnc2c(NCc3ccc(S(N)(=O)=O)cc3)cc(N)nc2n1 ZINC000001700563 201358990 /nfs/dbraw/zinc/35/89/90/201358990.db2.gz SYIHOFGDJVVCQK-UHFFFAOYSA-N 0 0 344.400 1.175 10 0 EDAERN CSc1nnc(Sc2nc(N)nc(N3CCCC3)n2)s1 ZINC000161854167 201389743 /nfs/dbraw/zinc/38/97/43/201389743.db2.gz PTXQVWCYRNYDSF-UHFFFAOYSA-N 0 0 327.464 1.779 10 0 EDAERN CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(Cl)c(CO)c1Cl ZINC000161928233 201394629 /nfs/dbraw/zinc/39/46/29/201394629.db2.gz VNGQYZUAJPRXCF-MRVPVSSYSA-N 0 0 340.228 1.895 10 0 EDAERN COC[C@@H](C)CNS(=O)(=O)c1ccc(Br)cc1N ZINC000045665089 202554804 /nfs/dbraw/zinc/55/48/04/202554804.db2.gz ASDOUKFHIJLOMS-QMMMGPOBSA-N 0 0 337.239 1.592 10 0 EDAERN O=C1CN(Cc2cccc(F)c2Br)C(=O)[C@H]2CCCN12 ZINC000158101387 201404770 /nfs/dbraw/zinc/40/47/70/201404770.db2.gz KQKLNIXWHPYFCS-LLVKDONJSA-N 0 0 341.180 1.921 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)CC2CC2)cc1Br ZINC000049731327 202628533 /nfs/dbraw/zinc/62/85/33/202628533.db2.gz HZSHTZIIZBVRPY-UHFFFAOYSA-N 0 0 333.207 1.835 10 0 EDAERN C[C@]1(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2F)CCOC1 ZINC000162407035 201414963 /nfs/dbraw/zinc/41/49/63/201414963.db2.gz JWEXLZDYAIOUOD-LBPRGKRZSA-N 0 0 336.772 1.035 10 0 EDAERN C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(C)c2=O)C1 ZINC000057525563 202725217 /nfs/dbraw/zinc/72/52/17/202725217.db2.gz BMBLPNLVSRRMLD-STQMWFEESA-N 0 0 329.400 1.205 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@@H]2CN3CCC2CC3)cc(N)c1Cl ZINC000164696789 201420013 /nfs/dbraw/zinc/42/00/13/201420013.db2.gz VWZAWQXFVTVGEI-CYBMUJFWSA-N 0 0 329.853 1.603 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cccc2ccccc21 ZINC000188941489 138856335 /nfs/dbraw/zinc/85/63/35/138856335.db2.gz JXIYTFAVUFMFJL-SJLPKXTDSA-N 0 0 326.396 1.480 10 0 EDAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)Oc1cccc(F)c1 ZINC000188875987 138854568 /nfs/dbraw/zinc/85/45/68/138854568.db2.gz IQNDVXGHPPOGFU-LBPRGKRZSA-N 0 0 349.406 1.903 10 0 EDAERN COCCNC(=O)[C@@H](C)Nc1ncc(N)c(C)c1Br ZINC000165616165 201420608 /nfs/dbraw/zinc/42/06/08/201420608.db2.gz LCDLTUULEGYSIH-MRVPVSSYSA-N 0 0 331.214 1.298 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cn1 ZINC000189098368 138861104 /nfs/dbraw/zinc/86/11/04/138861104.db2.gz UVZSXYMPEXCYTP-AWEZNQCLSA-N 0 0 344.419 1.556 10 0 EDAERN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CC(NC(=O)C2CC2)C1 ZINC000189477734 138875174 /nfs/dbraw/zinc/87/51/74/138875174.db2.gz BLPSTNCHAKAHND-AWEZNQCLSA-N 0 0 341.411 1.315 10 0 EDAERN O=C(Cn1c2cnnn2c2ccccc2c1=O)NCc1ccccc1 ZINC000002715896 201542108 /nfs/dbraw/zinc/54/21/08/201542108.db2.gz ZDTNDPQYMFEHEN-UHFFFAOYSA-N 0 0 333.351 1.361 10 0 EDAERN COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)CO)cc1Cl ZINC000062159257 202794440 /nfs/dbraw/zinc/79/44/40/202794440.db2.gz HYLXQXYAAHWQFW-VIFPVBQESA-N 0 0 335.809 1.009 10 0 EDAERN O=c1[nH]c2ccccc2cc1CCNS(=O)(=O)NC1CCCC1 ZINC000062222226 202795714 /nfs/dbraw/zinc/79/57/14/202795714.db2.gz LDRAVSFMTWTNIR-UHFFFAOYSA-N 0 0 335.429 1.437 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)[C@H](C)OC)C(C)C ZINC000191449962 138914404 /nfs/dbraw/zinc/91/44/04/138914404.db2.gz TYBRHHCCPXBREP-XEZPLFJOSA-N 0 0 336.432 1.989 10 0 EDAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc2nccn2c1 ZINC000069654515 203032418 /nfs/dbraw/zinc/03/24/18/203032418.db2.gz YFDFVCXTZIDCBC-UHFFFAOYSA-N 0 0 344.396 1.837 10 0 EDAERN C[C@@H]1COCCN1S(=O)(=O)c1ccc(N)c(Br)c1 ZINC000070217222 203074368 /nfs/dbraw/zinc/07/43/68/203074368.db2.gz PMQUESYDQIYEKL-MRVPVSSYSA-N 0 0 335.223 1.441 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCNC(=O)c3ccco3)CCO2)cn1 ZINC000191741013 138922831 /nfs/dbraw/zinc/92/28/31/138922831.db2.gz YMMOCHXRKJTCFH-HNNXBMFYSA-N 0 0 346.387 1.216 10 0 EDAERN Cc1c(S(N)(=O)=O)cnn1Cc1ccccc1Br ZINC000071194643 203087139 /nfs/dbraw/zinc/08/71/39/203087139.db2.gz ZEFGGXNAJNRERR-UHFFFAOYSA-N 0 0 330.207 1.650 10 0 EDAERN Nc1n[nH]cc1S(=O)(=O)NCc1cc(Br)cs1 ZINC000071306646 203091569 /nfs/dbraw/zinc/09/15/69/203091569.db2.gz MMKXUSWAZFXTCW-UHFFFAOYSA-N 0 0 337.224 1.294 10 0 EDAERN O=C(c1ccc(Br)s1)N1CCCN(CCO)CC1 ZINC000071348362 203094119 /nfs/dbraw/zinc/09/41/19/203094119.db2.gz CCDZSAQGLBVNON-UHFFFAOYSA-N 0 0 333.251 1.651 10 0 EDAERN CC(=O)c1sc(NC(=O)Cn2c(=O)oc3cccnc32)nc1C ZINC000071527449 203099119 /nfs/dbraw/zinc/09/91/19/203099119.db2.gz XDQPIQJBMOKDPZ-UHFFFAOYSA-N 0 0 332.341 1.596 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)c2sc(=O)n(C)c2C)CC1 ZINC000071543767 203100466 /nfs/dbraw/zinc/10/04/66/203100466.db2.gz GWCMFZNBTIOQAL-UHFFFAOYSA-N 0 0 327.406 1.106 10 0 EDAERN COC(=O)[C@H](C)CN(CCNC(C)=O)C(=O)c1cccc(Cl)c1 ZINC000071624521 203100978 /nfs/dbraw/zinc/10/09/78/203100978.db2.gz LHNLSUCWNVXTLC-LLVKDONJSA-N 0 0 340.807 1.727 10 0 EDAERN CCc1cccc(OCC(=O)N(CCC(=O)OC)C(C)(C)CO)c1 ZINC000071634420 203101025 /nfs/dbraw/zinc/10/10/25/203101025.db2.gz KBUKIUGPGOTETE-UHFFFAOYSA-N 0 0 337.416 1.790 10 0 EDAERN CCOC(=O)CCN(CCCNC(C)=O)C(=O)c1cccc(F)c1 ZINC000071608235 203101134 /nfs/dbraw/zinc/10/11/34/203101134.db2.gz ANAUGAXUCFRHCG-UHFFFAOYSA-N 0 0 338.379 1.747 10 0 EDAERN O=S(=O)(NCCN1CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000071710676 203104124 /nfs/dbraw/zinc/10/41/24/203104124.db2.gz JPZXXXAMMIQDHP-UHFFFAOYSA-N 0 0 347.440 1.359 10 0 EDAERN Nc1nc(Nc2ccc(N3CCOCC3)cc2)nn1-c1ccccn1 ZINC000072128606 203164831 /nfs/dbraw/zinc/16/48/31/203164831.db2.gz OOBFAKQHFQIPMU-UHFFFAOYSA-N 0 0 337.387 1.825 10 0 EDAERN C[C@@H](CC(=O)N1CCC(c2ccnn2C)CC1)N1CCCCC1=O ZINC000192219647 138939771 /nfs/dbraw/zinc/93/97/71/138939771.db2.gz RESBMEIPDVWXHS-AWEZNQCLSA-N 0 0 332.448 1.917 10 0 EDAERN COCCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cc1Cl ZINC000076097963 203338665 /nfs/dbraw/zinc/33/86/65/203338665.db2.gz TXAGJMDZKCCBDJ-CABZTGNLSA-N 0 0 326.780 1.828 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)c1nc(C)cs1 ZINC000077650886 203396159 /nfs/dbraw/zinc/39/61/59/203396159.db2.gz JQDYQDCNMGIAIL-NSHDSACASA-N 0 0 331.463 1.619 10 0 EDAERN C[C@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@H]1CCCO1 ZINC000078029935 203409296 /nfs/dbraw/zinc/40/92/96/203409296.db2.gz WYIQDJGKXNHVTK-NILFDRSVSA-N 0 0 330.384 1.189 10 0 EDAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000193388883 138968084 /nfs/dbraw/zinc/96/80/84/138968084.db2.gz ZGYQMPDBOGXAJH-NSHDSACASA-N 0 0 334.767 1.129 10 0 EDAERN O=C1N[C@@H](c2ccc(OCc3ccncc3)cc2)N2CCOC[C@H]12 ZINC000093883056 203706192 /nfs/dbraw/zinc/70/61/92/203706192.db2.gz SMWQDNAGSMZKAT-IAGOWNOFSA-N 0 0 325.368 1.490 10 0 EDAERN O=C1N[C@H](c2ccccc2OCc2cccnc2)N2CCOC[C@H]12 ZINC000093883641 203706646 /nfs/dbraw/zinc/70/66/46/203706646.db2.gz RQZYYCHFOFYRFE-WBVHZDCISA-N 0 0 325.368 1.490 10 0 EDAERN Cc1cc(C(=O)N2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)no1 ZINC000096089023 203830396 /nfs/dbraw/zinc/83/03/96/203830396.db2.gz UXUZXSRRVQTNHZ-RRFJBIMHSA-N 0 0 347.346 1.968 10 0 EDAERN COC(=O)c1cn(CCCO)cc2c(=O)n(-c3ccccc3C)nc1-2 ZINC000101438807 204007945 /nfs/dbraw/zinc/00/79/45/204007945.db2.gz GNYRHLCIXKDVEI-UHFFFAOYSA-N 0 0 341.367 1.616 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 ZINC000101564890 204009683 /nfs/dbraw/zinc/00/96/83/204009683.db2.gz CBTBXQKZYBYQAH-OAHLLOKOSA-N 0 0 338.473 1.841 10 0 EDAERN Cc1cccc(N(CCC(N)=O)C(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000101867520 204024071 /nfs/dbraw/zinc/02/40/71/204024071.db2.gz WKOJQHLWLDGQSY-CYBMUJFWSA-N 0 0 343.383 1.615 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 ZINC000103378072 204076536 /nfs/dbraw/zinc/07/65/36/204076536.db2.gz XMDZZVNKEAWCHD-VXGBXAGGSA-N 0 0 331.376 1.699 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C)COC)cc1 ZINC000103428037 204078492 /nfs/dbraw/zinc/07/84/92/204078492.db2.gz XAQUUNBBSAQURI-CYBMUJFWSA-N 0 0 342.461 1.616 10 0 EDAERN COCCN([C@@H](C)COC)S(=O)(=O)c1cc(Cl)ccc1N ZINC000042601912 204112704 /nfs/dbraw/zinc/11/27/04/204112704.db2.gz CVEZEGXHEVMGAC-JTQLQIEISA-N 0 0 336.841 1.594 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000104791881 204120749 /nfs/dbraw/zinc/12/07/49/204120749.db2.gz CMJHGLWOAYKGHL-HNNXBMFYSA-N 0 0 329.404 1.002 10 0 EDAERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104799441 204122293 /nfs/dbraw/zinc/12/22/93/204122293.db2.gz VPARFWXVEVAHOC-KRWDZBQOSA-N 0 0 343.431 1.344 10 0 EDAERN CC[C@H]1C(=O)NCCN1CC(=O)c1cccc(Br)c1 ZINC000104129363 204097209 /nfs/dbraw/zinc/09/72/09/204097209.db2.gz YEMWVRSSBMVXNA-LBPRGKRZSA-N 0 0 325.206 1.842 10 0 EDAERN CC[C@H](C)N(CCOC)S(=O)(=O)c1ccccc1C(N)=S ZINC000042592129 204108803 /nfs/dbraw/zinc/10/88/03/204108803.db2.gz CNNLZFOURDWJBA-NSHDSACASA-N 0 0 330.475 1.756 10 0 EDAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCCN(c3cccnn3)CC2)[C@@H]1C ZINC000105798542 204159547 /nfs/dbraw/zinc/15/95/47/204159547.db2.gz ZEIDOKXHHUDDRE-ZACQAIPSSA-N 0 0 345.491 1.930 10 0 EDAERN Cc1ccc(N2CCCN([C@@H](C)C(=O)Nc3nccs3)CC2)nn1 ZINC000105801322 204159755 /nfs/dbraw/zinc/15/97/55/204159755.db2.gz AWVZPUUBFLOQKE-ZDUSSCGKSA-N 0 0 346.460 1.781 10 0 EDAERN COC(=O)c1occc1CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105801235 204160445 /nfs/dbraw/zinc/16/04/45/204160445.db2.gz XAZHBEXBSZCEBU-UHFFFAOYSA-N 0 0 330.388 1.877 10 0 EDAERN O=C(CCNC(=O)c1ccco1)N1CCC(Nc2cccnn2)CC1 ZINC000105813748 204163050 /nfs/dbraw/zinc/16/30/50/204163050.db2.gz VHPSVOTZAKDPNC-UHFFFAOYSA-N 0 0 343.387 1.293 10 0 EDAERN COCCN1CCN(CC(=O)NCc2ccc(Cl)cc2)C[C@H]1C ZINC000105831985 204166293 /nfs/dbraw/zinc/16/62/93/204166293.db2.gz XQHNOROAFWFCPZ-CQSZACIVSA-N 0 0 339.867 1.609 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)CNC(=O)C(C)(C)C)CC2)cn1 ZINC000105828871 204167732 /nfs/dbraw/zinc/16/77/32/204167732.db2.gz PCVPDYWALRHIFQ-UHFFFAOYSA-N 0 0 349.479 1.100 10 0 EDAERN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1COc2ccccc21 ZINC000194878217 139001756 /nfs/dbraw/zinc/00/17/56/139001756.db2.gz DRADBDOBTOBEJD-GFCCVEGCSA-N 0 0 349.184 1.861 10 0 EDAERN CC(C)C(=O)Nc1cccc(NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000105282204 204141319 /nfs/dbraw/zinc/14/13/19/204141319.db2.gz IFBOZHHLJCQPLE-HNNXBMFYSA-N 0 0 334.420 1.733 10 0 EDAERN CC(C)Cc1noc(CN2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000105869621 204172388 /nfs/dbraw/zinc/17/23/88/204172388.db2.gz YVHXBZVDIBIRLV-UHFFFAOYSA-N 0 0 332.452 1.710 10 0 EDAERN COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(N)cc1Cl ZINC000043429739 204267315 /nfs/dbraw/zinc/26/73/15/204267315.db2.gz CJFLSVQCURMSDZ-LLVKDONJSA-N 0 0 334.825 1.788 10 0 EDAERN CCCN(CC(N)=S)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000045093363 204315365 /nfs/dbraw/zinc/31/53/65/204315365.db2.gz HVMFDWKOEPBVQV-UHFFFAOYSA-N 0 0 330.431 1.145 10 0 EDAERN COc1cccc(CCC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111078079 204335092 /nfs/dbraw/zinc/33/50/92/204335092.db2.gz RIPSAIZWRLUYTN-QGZVFWFLSA-N 0 0 329.400 1.752 10 0 EDAERN O=C(CSCc1ccncc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111086839 204335333 /nfs/dbraw/zinc/33/53/33/204335333.db2.gz XSFGEDWPBXDSQR-OAHLLOKOSA-N 0 0 332.429 1.439 10 0 EDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000195040043 139005318 /nfs/dbraw/zinc/00/53/18/139005318.db2.gz SMIRIJVLPRXCOY-INIZCTEOSA-N 0 0 336.457 1.542 10 0 EDAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ncn(C)c3Cl)C2)c1 ZINC000111361778 204353135 /nfs/dbraw/zinc/35/31/35/204353135.db2.gz VEDBGUMKLDNSDH-LLVKDONJSA-N 0 0 343.840 1.604 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 ZINC000111621891 204364801 /nfs/dbraw/zinc/36/48/01/204364801.db2.gz JONHXSQXLJJJGG-OAHLLOKOSA-N 0 0 339.399 1.917 10 0 EDAERN O=C1[C@H](N2CC[C@H](CNc3ccccn3)C2)CCN1CC(F)(F)F ZINC000111212905 204342116 /nfs/dbraw/zinc/34/21/16/204342116.db2.gz FCIHNGKCYGUNPS-CHWSQXEVSA-N 0 0 342.365 1.979 10 0 EDAERN COc1cccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1OC ZINC000112066493 204381358 /nfs/dbraw/zinc/38/13/58/204381358.db2.gz ZORFDQPGELCMDU-CQSZACIVSA-N 0 0 345.399 1.750 10 0 EDAERN C[C@@H](NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C(C)(C)C ZINC000112462524 204398835 /nfs/dbraw/zinc/39/88/35/204398835.db2.gz XAKUMDOVDUYUGU-OAHLLOKOSA-N 0 0 338.496 1.761 10 0 EDAERN CSC1(CNC(=O)N2CCCN(Cc3noc(C)n3)CC2)CC1 ZINC000195139892 139007730 /nfs/dbraw/zinc/00/77/30/139007730.db2.gz QLZXJHWUADQRHH-UHFFFAOYSA-N 0 0 339.465 1.491 10 0 EDAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000195168128 139008469 /nfs/dbraw/zinc/00/84/69/139008469.db2.gz LMFIIBZJAZEPIG-GJZGRUSLSA-N 0 0 338.429 1.259 10 0 EDAERN O=C(Nc1cc(F)c(F)cc1F)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176106466 284279555 /nfs/dbraw/zinc/27/95/55/284279555.db2.gz QBSDYSCKLJPCMW-JTQLQIEISA-N 0 0 339.277 1.285 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 ZINC000116899970 204548851 /nfs/dbraw/zinc/54/88/51/204548851.db2.gz KMXIRHPADLNPHM-AWEZNQCLSA-N 0 0 335.433 1.391 10 0 EDAERN CC(=O)[C@@H]1CC(C(=O)NCCn2cc(C)cn2)=NN1c1ccccc1 ZINC000117817484 204578586 /nfs/dbraw/zinc/57/85/86/204578586.db2.gz KLRWYJMUIYXNKH-KRWDZBQOSA-N 0 0 339.399 1.532 10 0 EDAERN COC(=O)c1ccc(CSC[C@@H](O)CO)c(Br)c1 ZINC000226703635 139022067 /nfs/dbraw/zinc/02/20/67/139022067.db2.gz XRPKFJFZPIQFDR-JTQLQIEISA-N 0 0 335.219 1.822 10 0 EDAERN COC(C)(C)CNS(=O)(=O)c1cc(Br)cnc1N ZINC000119059209 204626278 /nfs/dbraw/zinc/62/62/78/204626278.db2.gz ACGBAHLDYUQKNA-UHFFFAOYSA-N 0 0 338.227 1.130 10 0 EDAERN CC(C)[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 ZINC000122261620 204855894 /nfs/dbraw/zinc/85/58/94/204855894.db2.gz AUMHNNOSYWHWBT-VWYCJHECSA-N 0 0 349.395 1.419 10 0 EDAERN COc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000123241535 204909882 /nfs/dbraw/zinc/90/98/82/204909882.db2.gz RNJOPJLEDAXUMO-SCLBCKFNSA-N 0 0 332.400 1.787 10 0 EDAERN Cn1nccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000154092415 204933611 /nfs/dbraw/zinc/93/36/11/204933611.db2.gz ZAAYGVAROPCIBK-LSDHHAIUSA-N 0 0 342.399 1.473 10 0 EDAERN O=C(c1cc2c(=O)[nH]cnc2cn1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000330221558 296187803 /nfs/dbraw/zinc/18/78/03/296187803.db2.gz LTKNLIKAZOIWIN-CYBMUJFWSA-N 0 0 342.277 1.260 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)CCOC[C@H]2CCCO2)C1 ZINC000110755051 220063480 /nfs/dbraw/zinc/06/34/80/220063480.db2.gz QDTGQGUOYQBSNG-LSDHHAIUSA-N 0 0 336.436 1.590 10 0 EDAERN O=C(CSCc1ccncc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000126641075 205064796 /nfs/dbraw/zinc/06/47/96/205064796.db2.gz WFLGKDJLGPGVIP-HNNXBMFYSA-N 0 0 331.445 1.845 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1c(C)n[nH]c1C ZINC000246828259 291548556 /nfs/dbraw/zinc/54/85/56/291548556.db2.gz XCEYRPGJNMEJJD-IHRRRGAJSA-N 0 0 334.420 1.771 10 0 EDAERN COc1ccc(C)nc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000127110890 205085731 /nfs/dbraw/zinc/08/57/31/205085731.db2.gz WURQFGLTRMTWDT-CYBMUJFWSA-N 0 0 331.376 1.528 10 0 EDAERN CN(CC(=O)N1CCC[C@H](Cn2cncn2)C1)C(=O)OC(C)(C)C ZINC000127241912 205090925 /nfs/dbraw/zinc/09/09/25/205090925.db2.gz XYCGXCDQQUUGNL-ZDUSSCGKSA-N 0 0 337.424 1.384 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn2c1CCCC2 ZINC000127588130 205107952 /nfs/dbraw/zinc/10/79/52/205107952.db2.gz ZYNMJZXROKEZEU-GFCCVEGCSA-N 0 0 330.392 1.222 10 0 EDAERN CCS(=O)(=O)CCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000128630479 205154757 /nfs/dbraw/zinc/15/47/57/205154757.db2.gz CFFQVKIURKOOFJ-KBPBESRZSA-N 0 0 326.462 1.619 10 0 EDAERN CCNc1ncc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000128708805 205159997 /nfs/dbraw/zinc/15/99/97/205159997.db2.gz MJACJFXYOXVFLZ-UHFFFAOYSA-N 0 0 348.476 1.657 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000129724913 205208931 /nfs/dbraw/zinc/20/89/31/205208931.db2.gz RZWQVJAYDRITEI-LSDHHAIUSA-N 0 0 344.436 1.946 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3cccc(OC)c3)CCO2)[nH]1 ZINC000130044408 205222269 /nfs/dbraw/zinc/22/22/69/205222269.db2.gz IDPTVCGKDOWEDY-AWEZNQCLSA-N 0 0 345.403 1.659 10 0 EDAERN C[S@@](=O)CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000157768356 205250716 /nfs/dbraw/zinc/25/07/16/205250716.db2.gz QTDYEBSYTALGCP-KRWDZBQOSA-N 0 0 331.246 1.232 10 0 EDAERN O=C(Nc1ccc(-n2cccn2)cc1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130713871 205253044 /nfs/dbraw/zinc/25/30/44/205253044.db2.gz DPYNTLWZXZIBFE-BBRMVZONSA-N 0 0 342.399 1.478 10 0 EDAERN CC[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000130803142 205259181 /nfs/dbraw/zinc/25/91/81/205259181.db2.gz CAZCOFFYVXSHEA-KGLIPLIRSA-N 0 0 332.452 1.929 10 0 EDAERN O=C(c1cc(N2CCOCC2)ccn1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000132419316 205325014 /nfs/dbraw/zinc/32/50/14/205325014.db2.gz VOMPRILREUOXPL-DNVCBOLYSA-N 0 0 345.443 1.685 10 0 EDAERN COC(=O)C[C@@H](C)C(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000132352227 205321798 /nfs/dbraw/zinc/32/17/98/205321798.db2.gz BHPCAPGCXMLPJR-LLVKDONJSA-N 0 0 325.434 1.295 10 0 EDAERN CCCn1ncc(N[C@@H](C)C[S@@](C)=O)c(Br)c1=O ZINC000158724743 205363216 /nfs/dbraw/zinc/36/32/16/205363216.db2.gz RFZISFRMELKFML-ASCAZGACSA-N 0 0 336.255 1.595 10 0 EDAERN CC(C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1S(N)(=O)=O ZINC000147270439 205364541 /nfs/dbraw/zinc/36/45/41/205364541.db2.gz YUSYNFMWGCHECN-SECBINFHSA-N 0 0 334.825 1.527 10 0 EDAERN C[C@H](CNC(=O)c1cccc(Br)n1)N1CCOCC1 ZINC000136361683 205501915 /nfs/dbraw/zinc/50/19/15/205501915.db2.gz HLCLNWLYBBPEEW-SNVBAGLBSA-N 0 0 328.210 1.295 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000152995156 205805724 /nfs/dbraw/zinc/80/57/24/205805724.db2.gz GGJNZSWQBYZFBL-LLVKDONJSA-N 0 0 348.838 1.825 10 0 EDAERN O=C(Nc1nc2c(s1)COCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000173903717 284420101 /nfs/dbraw/zinc/42/01/01/284420101.db2.gz SLPKOJFGOUCEKZ-NSHDSACASA-N 0 0 338.433 1.154 10 0 EDAERN CCOCCCNC(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000112130927 220249187 /nfs/dbraw/zinc/24/91/87/220249187.db2.gz UVNXGWIFZMFLSX-ZDUSSCGKSA-N 0 0 339.440 1.447 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCOc1ccccc1 ZINC000155352999 206002600 /nfs/dbraw/zinc/00/26/00/206002600.db2.gz ROUTVDNVBHKBSJ-CQSZACIVSA-N 0 0 330.388 1.845 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccccc2Cl)CC1 ZINC000155535303 206016088 /nfs/dbraw/zinc/01/60/88/206016088.db2.gz VAKNKOZWEZZPCZ-CQSZACIVSA-N 0 0 325.840 1.938 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC000155593247 206019609 /nfs/dbraw/zinc/01/96/09/206019609.db2.gz IUGPUSKSYOJAKM-JTQLQIEISA-N 0 0 342.355 1.478 10 0 EDAERN Cc1[nH]c(=O)ccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000156379047 206073385 /nfs/dbraw/zinc/07/33/85/206073385.db2.gz PYVWPTLVYVMWPZ-UHFFFAOYSA-N 0 0 329.404 1.177 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000156565883 206087652 /nfs/dbraw/zinc/08/76/52/206087652.db2.gz HWOHFNFYZIXIMM-MFKMUULPSA-N 0 0 341.358 1.652 10 0 EDAERN COC(=O)[C@H](COc1cc(F)cc(Br)c1)NC(C)=O ZINC000157178791 206122321 /nfs/dbraw/zinc/12/23/21/206122321.db2.gz WKESMQHNUBEDMC-NSHDSACASA-N 0 0 334.141 1.645 10 0 EDAERN [NH3+][C@H](Cc1cn(-c2ccc(F)cc2Br)nn1)C(=O)[O-] ZINC000157583114 206144790 /nfs/dbraw/zinc/14/47/90/206144790.db2.gz WEIWJNVBCWNMAJ-SECBINFHSA-N 0 0 329.129 1.123 10 0 EDAERN COCCC(=O)N1CCC(NC(=O)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000158126826 206174812 /nfs/dbraw/zinc/17/48/12/206174812.db2.gz MTYJAYVHLNOJNC-CQSZACIVSA-N 0 0 348.443 1.942 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cs1 ZINC000159309330 206236495 /nfs/dbraw/zinc/23/64/95/206236495.db2.gz PLMNDHIHEJHXFT-VXGBXAGGSA-N 0 0 329.443 1.935 10 0 EDAERN COc1ccc(Br)c(Cn2cnc(S(N)(=O)=O)c2)c1 ZINC000159383235 206242717 /nfs/dbraw/zinc/24/27/17/206242717.db2.gz SXDFIHLJMJRFQI-UHFFFAOYSA-N 0 0 346.206 1.350 10 0 EDAERN C[C@H]1CN(Cc2nccn2CC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246428099 139108112 /nfs/dbraw/zinc/10/81/12/139108112.db2.gz LAPWFOTVWSFUHN-QWHCGFSZSA-N 0 0 332.370 1.598 10 0 EDAERN Cc1ccccc1[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)[C@H](C)CO1 ZINC000246477623 139109851 /nfs/dbraw/zinc/10/98/51/139109851.db2.gz VQCHCSBHWFDDFS-RYRKJORJSA-N 0 0 347.459 1.797 10 0 EDAERN CCOCCN1CCN([C@H]2CCN(c3ccccc3F)C2=O)C[C@H]1C ZINC000246585335 139114012 /nfs/dbraw/zinc/11/40/12/139114012.db2.gz NZPJEMJOACZYBS-QAPCUYQASA-N 0 0 349.450 1.974 10 0 EDAERN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000246550722 139112534 /nfs/dbraw/zinc/11/25/34/139112534.db2.gz WCYBJAQIDWFFIZ-WCQYABFASA-N 0 0 332.404 1.982 10 0 EDAERN CS(=O)(=O)Cc1nc(Br)cc(Br)n1 ZINC000160956812 206319694 /nfs/dbraw/zinc/31/96/94/206319694.db2.gz OUUPFKISFCPIOI-UHFFFAOYSA-N 0 0 330.001 1.546 10 0 EDAERN CC(C)[C@H](O)CC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000162713796 206418574 /nfs/dbraw/zinc/41/85/74/206418574.db2.gz KJNJRAWFNJCLAP-TZMCWYRMSA-N 0 0 349.349 1.968 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000247404730 139147827 /nfs/dbraw/zinc/14/78/27/139147827.db2.gz PQMIDMVIOJOUIW-OLZOCXBDSA-N 0 0 337.445 1.367 10 0 EDAERN COc1cc(Br)cc(NC(=O)[C@H](N)c2cnn(C)c2)c1 ZINC000169148895 206548052 /nfs/dbraw/zinc/54/80/52/206548052.db2.gz QLIWTKJNIDBSLJ-GFCCVEGCSA-N 0 0 339.193 1.830 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](N[C@H](C(N)=O)c1ccc(F)cc1)CC2 ZINC000171121623 206661362 /nfs/dbraw/zinc/66/13/62/206661362.db2.gz UAQWMIFXKONHTO-ZFWWWQNUSA-N 0 0 331.395 1.672 10 0 EDAERN COC(=O)CCCNC(=O)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 ZINC000011873045 211260961 /nfs/dbraw/zinc/26/09/61/211260961.db2.gz LUBIESDWDPVCAU-MRXNPFEDSA-N 0 0 346.427 1.537 10 0 EDAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000249137250 139187044 /nfs/dbraw/zinc/18/70/44/139187044.db2.gz FBPSQULDWSQDKS-ONGXEEELSA-N 0 0 341.333 1.738 10 0 EDAERN COc1cccc(OC)c1S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000249295633 139190769 /nfs/dbraw/zinc/19/07/69/139190769.db2.gz MKDQPZDMMPNBNM-ZDUSSCGKSA-N 0 0 340.445 1.563 10 0 EDAERN CCCCOCCNC(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000249756308 139198188 /nfs/dbraw/zinc/19/81/88/139198188.db2.gz KNKFCNIOYLPUQY-XHSDSOJGSA-N 0 0 340.464 1.725 10 0 EDAERN Nc1nc(-n2ncnc2N)n(C(c2ccccc2)c2ccccc2)n1 ZINC000095116176 218282053 /nfs/dbraw/zinc/28/20/53/218282053.db2.gz KTYISQHWJANHBE-UHFFFAOYSA-N 0 0 332.371 1.661 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)N2CC(CO)C2)c2cccs2)CCO1 ZINC000253280025 139205752 /nfs/dbraw/zinc/20/57/52/139205752.db2.gz UDYFBXSEJQNJOZ-TZMCWYRMSA-N 0 0 339.461 1.144 10 0 EDAERN CN(C)c1cc(C(F)(F)F)nc(N(C)C2CCS(=O)CC2)n1 ZINC000095411555 218348262 /nfs/dbraw/zinc/34/82/62/218348262.db2.gz YZZUVRVHANZWND-UHFFFAOYSA-N 0 0 336.383 1.909 10 0 EDAERN COC(=O)NCCCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172387092 206824868 /nfs/dbraw/zinc/82/48/68/206824868.db2.gz JBPKAOCXGNXQKA-UHFFFAOYSA-N 0 0 346.387 1.613 10 0 EDAERN Cn1ccnc1[C@@H]1CNCCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000261826549 139229487 /nfs/dbraw/zinc/22/94/87/139229487.db2.gz YNWMMTQYXMWIIH-AWEZNQCLSA-N 0 0 338.371 1.257 10 0 EDAERN O=C(c1ncncc1Cl)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000329026844 296307174 /nfs/dbraw/zinc/30/71/74/296307174.db2.gz OHJHCIRYOSRLRM-ZWNOBZJWSA-N 0 0 334.807 1.746 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173407707 206923053 /nfs/dbraw/zinc/92/30/53/206923053.db2.gz VDARWRUAQHFFAT-HNNXBMFYSA-N 0 0 349.406 1.349 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)CC(C)(C)O)C(C)C ZINC000174521522 207025901 /nfs/dbraw/zinc/02/59/01/207025901.db2.gz WKGSWYYFKLGOJJ-OAHLLOKOSA-N 0 0 336.432 1.679 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cnn(C)c2)ncn1 ZINC000174653210 207042530 /nfs/dbraw/zinc/04/25/30/207042530.db2.gz YANBWCXVRUITST-GFCCVEGCSA-N 0 0 330.396 1.042 10 0 EDAERN COc1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)nn1 ZINC000174993616 207080585 /nfs/dbraw/zinc/08/05/85/207080585.db2.gz WKNWRHRJUUZFBW-UHFFFAOYSA-N 0 0 329.360 1.945 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000175193644 207102097 /nfs/dbraw/zinc/10/20/97/207102097.db2.gz LFZILSROLMQOEX-OAHLLOKOSA-N 0 0 342.403 1.897 10 0 EDAERN CN[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)c1cnn(C)c1 ZINC000262284993 139266558 /nfs/dbraw/zinc/26/65/58/139266558.db2.gz XTYINCXESWAVQT-MRXNPFEDSA-N 0 0 327.388 1.446 10 0 EDAERN C[C@@H]1CN(Cc2noc(-c3ccsc3)n2)C[C@@H]1N1CCOCC1 ZINC000175588491 207140812 /nfs/dbraw/zinc/14/08/12/207140812.db2.gz LBVXCQQGLMQTEH-OCCSQVGLSA-N 0 0 334.445 1.951 10 0 EDAERN Cc1cc(C)c(C)c(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1C ZINC000187924561 272953779 /nfs/dbraw/zinc/95/37/79/272953779.db2.gz TZKIPUAOJGOPFK-UHFFFAOYSA-N 0 0 336.457 1.819 10 0 EDAERN C[C@H]1CN(C(=O)NCc2cccc(CO)c2)C[C@H]1N1CCOCC1 ZINC000175763324 207158258 /nfs/dbraw/zinc/15/82/58/207158258.db2.gz SSHQDBIQGNZVDU-WMLDXEAASA-N 0 0 333.432 1.041 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000175961999 207176815 /nfs/dbraw/zinc/17/68/15/207176815.db2.gz BKMDZCOSKKDRHA-MRXNPFEDSA-N 0 0 339.395 1.939 10 0 EDAERN Cc1cc(NC(=O)N[C@H]2CCCn3ncnc32)ccc1C(=O)N(C)C ZINC000176014870 207182944 /nfs/dbraw/zinc/18/29/44/207182944.db2.gz MDAHKFSESKJZEX-AWEZNQCLSA-N 0 0 342.403 1.945 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)cn1 ZINC000176596674 207241791 /nfs/dbraw/zinc/24/17/91/207241791.db2.gz VDQXDIXCBCJLPM-OAHLLOKOSA-N 0 0 343.435 1.919 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000176611583 207243180 /nfs/dbraw/zinc/24/31/80/207243180.db2.gz VKDRQGLIDIZBGH-VXGBXAGGSA-N 0 0 335.408 1.486 10 0 EDAERN Cc1ccccc1CCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177233530 207310703 /nfs/dbraw/zinc/31/07/03/207310703.db2.gz CHWOPURZUGNECQ-AEFFLSMTSA-N 0 0 331.460 1.900 10 0 EDAERN CCOc1ncccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177386582 207329316 /nfs/dbraw/zinc/32/93/16/207329316.db2.gz PCBAVNDCAOFCAK-CYBMUJFWSA-N 0 0 332.404 1.116 10 0 EDAERN O=C(NCC[S@](=O)Cc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000177359725 207326625 /nfs/dbraw/zinc/32/66/25/207326625.db2.gz IZUVQADAIVMDCE-BSEYFRJRSA-N 0 0 347.444 1.361 10 0 EDAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177567700 207355654 /nfs/dbraw/zinc/35/56/54/207355654.db2.gz NCYLSNFPXSIPDE-WFASDCNBSA-N 0 0 328.372 1.899 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1C ZINC000177651507 207369965 /nfs/dbraw/zinc/36/99/65/207369965.db2.gz WSBWWNDHBCHZKA-MRXNPFEDSA-N 0 0 342.399 1.366 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3cncn3)cc2C)C[C@H]1C ZINC000173806003 532960016 /nfs/dbraw/zinc/96/00/16/532960016.db2.gz JGZMDUUYUUKJRT-OAHLLOKOSA-N 0 0 343.431 1.368 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)C3=C(C)OCCC3)C2=O)n(C)n1 ZINC000178973872 207560194 /nfs/dbraw/zinc/56/01/94/207560194.db2.gz TZTIGAXBNMDJIF-AWEZNQCLSA-N 0 0 332.404 1.425 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cn3ccc(C)cc3=O)C2)n1 ZINC000194720624 207608030 /nfs/dbraw/zinc/60/80/30/207608030.db2.gz KZEKKWNWYHIMSS-MRXNPFEDSA-N 0 0 343.431 1.304 10 0 EDAERN O=C(NCCOCc1ccc(Cl)cc1Cl)[C@@H]1CNC(=O)C1 ZINC000179840858 207696668 /nfs/dbraw/zinc/69/66/68/207696668.db2.gz PCUCEHPFXMACMJ-JTQLQIEISA-N 0 0 331.199 1.762 10 0 EDAERN CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000263268755 139332236 /nfs/dbraw/zinc/33/22/36/139332236.db2.gz RVWQZKIORWRVOC-AWEZNQCLSA-N 0 0 327.388 1.661 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2[nH]nc3ccccc32)C[C@@H]1C ZINC000117275860 221041021 /nfs/dbraw/zinc/04/10/21/221041021.db2.gz HYPRMEATABQWTO-AWEZNQCLSA-N 0 0 330.432 1.675 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1C ZINC000117280426 221042233 /nfs/dbraw/zinc/04/22/33/221042233.db2.gz LRKVAEOCURERSA-CYBMUJFWSA-N 0 0 331.420 1.151 10 0 EDAERN CC[C@H]1CN(C(=O)CSCc2cccnc2)CCN1CCOC ZINC000117300257 221048827 /nfs/dbraw/zinc/04/88/27/221048827.db2.gz STTUDTKGFNWJAO-INIZCTEOSA-N 0 0 337.489 1.884 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)C[C@H]1C ZINC000117522144 221074552 /nfs/dbraw/zinc/07/45/52/221074552.db2.gz OVBXXOSWEBHMBP-OAHLLOKOSA-N 0 0 347.459 1.928 10 0 EDAERN O=C(c1ccnc(-n2cncn2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119504505 221335824 /nfs/dbraw/zinc/33/58/24/221335824.db2.gz WNELASXCAWANPK-YOEHRIQHSA-N 0 0 327.388 1.430 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cc1F ZINC000119513285 221336478 /nfs/dbraw/zinc/33/64/78/221336478.db2.gz VXWKIABNCCERRS-UHFFFAOYSA-N 0 0 346.362 1.902 10 0 EDAERN CCO[C@@H]1CO[C@@]2(C1)CCCN(S(=O)(=O)c1cccnc1)C2 ZINC000248288754 257661010 /nfs/dbraw/zinc/66/10/10/257661010.db2.gz IFJXRAVFWIXXRS-DZGCQCFKSA-N 0 0 326.418 1.430 10 0 EDAERN CC(=O)N1Cc2cccn2C[C@H](C(=O)NCCc2cccs2)C1 ZINC000247956375 257671830 /nfs/dbraw/zinc/67/18/30/257671830.db2.gz SRNUFHRQQLUWRH-AWEZNQCLSA-N 0 0 331.441 1.887 10 0 EDAERN Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCCCO3)C[C@@H]3OCC[C@@H]32)o1 ZINC000247896243 257675036 /nfs/dbraw/zinc/67/50/36/257675036.db2.gz HGTZHCODZOMDOR-YCPHGPKFSA-N 0 0 348.399 1.762 10 0 EDAERN CN(C)c1nc(Cl)nc(N2CCN(c3nccs3)CC2)n1 ZINC000061522624 132805385 /nfs/dbraw/zinc/80/53/85/132805385.db2.gz IPXYASLJPFADAU-UHFFFAOYSA-N 0 0 325.829 1.374 10 0 EDAERN Cc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)sc(=O)n1C ZINC000071555842 132814604 /nfs/dbraw/zinc/81/46/04/132814604.db2.gz KEPSDPAKVWUTHG-UHFFFAOYSA-N 0 0 333.369 1.363 10 0 EDAERN CCSc1cccc(N2CCOC[C@H]2C(N)=O)c1C(N)=S ZINC000136845759 135610048 /nfs/dbraw/zinc/61/00/48/135610048.db2.gz XNYDPHOOCQIJCC-JTQLQIEISA-N 0 0 325.459 1.123 10 0 EDAERN O=C1[C@@H](N2CCO[C@@H](c3cccc(O)c3)C2)CCN1C1CCOCC1 ZINC000328641653 140666999 /nfs/dbraw/zinc/66/69/99/140666999.db2.gz FRVFJAMVUDTWLU-ZWKOTPCHSA-N 0 0 346.427 1.545 10 0 EDAERN O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](n2cccn2)C1 ZINC000328779446 140674731 /nfs/dbraw/zinc/67/47/31/140674731.db2.gz UDVOSLZGCPTTDB-OAHLLOKOSA-N 0 0 338.375 1.728 10 0 EDAERN Cc1noc([C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C3CCCC3)C2)n1 ZINC000329161433 140697863 /nfs/dbraw/zinc/69/78/63/140697863.db2.gz FGPCPMKXFXVLJF-LSDHHAIUSA-N 0 0 346.431 1.875 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000333158159 141273486 /nfs/dbraw/zinc/27/34/86/141273486.db2.gz HVEGJHGBLDNORD-OWCLPIDISA-N 0 0 333.436 1.223 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCC(Cc3nccn3C)CC2)cn1 ZINC000333262524 141289294 /nfs/dbraw/zinc/28/92/94/141289294.db2.gz GHUHGFAJERKKOW-UHFFFAOYSA-N 0 0 334.445 1.767 10 0 EDAERN Cc1c(C(=O)N2CCCc3n[nH]cc32)cccc1N1CCNC1=O ZINC000333274671 141291336 /nfs/dbraw/zinc/29/13/36/141291336.db2.gz IJFOVEYJSIUJHF-UHFFFAOYSA-N 0 0 325.372 1.841 10 0 EDAERN C[C@H]1CN(C(=O)NCCC2CCOCC2)CC2(CCOCC2)O1 ZINC000333488513 141325575 /nfs/dbraw/zinc/32/55/75/141325575.db2.gz YZYRRSYSAOKGPW-AWEZNQCLSA-N 0 0 326.437 1.783 10 0 EDAERN C[C@H]1CN(C(=O)c2nc(C3CC3)n3ccccc23)CCS(=O)(=O)C1 ZINC000333494758 141326419 /nfs/dbraw/zinc/32/64/19/141326419.db2.gz VBQMNSPPAOGLAC-LBPRGKRZSA-N 0 0 347.440 1.718 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)[C@H]1OC ZINC000333673371 141354247 /nfs/dbraw/zinc/35/42/47/141354247.db2.gz YPXWWEIZAMPZOZ-ZAPJKBGESA-N 0 0 326.437 1.778 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cs1 ZINC000152351444 286632420 /nfs/dbraw/zinc/63/24/20/286632420.db2.gz AZGRUHDIDRGXIW-IUODEOHRSA-N 0 0 343.470 1.919 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000079298762 287299906 /nfs/dbraw/zinc/29/99/06/287299906.db2.gz ZICGQPXMJAWWLQ-CYBMUJFWSA-N 0 0 338.429 1.221 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1 ZINC000079296583 287300035 /nfs/dbraw/zinc/30/00/35/287300035.db2.gz DDKXMDZRUYCAGX-QGZVFWFLSA-N 0 0 343.427 1.550 10 0 EDAERN CCCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000079536625 287300905 /nfs/dbraw/zinc/30/09/05/287300905.db2.gz JMQNZFNGYWYAHZ-MRXNPFEDSA-N 0 0 346.431 1.959 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)Cc1noc(-c2ccccc2)n1 ZINC000119196105 287350385 /nfs/dbraw/zinc/35/03/85/287350385.db2.gz NJNAJYNDILJPJT-HSZRJFAPSA-N 0 0 332.389 1.753 10 0 EDAERN COCC(C)(C)NC(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1 ZINC000167991556 226206838 /nfs/dbraw/zinc/20/68/38/226206838.db2.gz FSHUAZWHSHINBP-UHFFFAOYSA-N 0 0 334.825 1.451 10 0 EDAERN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000168681604 226221907 /nfs/dbraw/zinc/22/19/07/226221907.db2.gz UXFJEKBCJHOKDI-DMWPKQFHSA-N 0 0 345.273 1.621 10 0 EDAERN CCC[C@H]1C(=O)NCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000122187888 222033765 /nfs/dbraw/zinc/03/37/65/222033765.db2.gz NVJDRUOSBIJRIM-JSGCOSHPSA-N 0 0 332.404 1.324 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000122740714 222149322 /nfs/dbraw/zinc/14/93/22/222149322.db2.gz ILIYYAUOPQIMGS-GDBMZVCRSA-N 0 0 341.477 1.855 10 0 EDAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123184754 222231739 /nfs/dbraw/zinc/23/17/39/222231739.db2.gz KNOHUXNPCPYDDQ-HOTGVXAUSA-N 0 0 331.416 1.852 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCCN(C)S(=O)(=O)c2cccs2)O1 ZINC000130509141 287493936 /nfs/dbraw/zinc/49/39/36/287493936.db2.gz UCRUTPUXXRFJSZ-MNOVXSKESA-N 0 0 332.447 1.052 10 0 EDAERN CCCN1CCN(C(=O)C2CCC(C(=O)OC)CC2)C(C)(C)C1=O ZINC000186454231 267713388 /nfs/dbraw/zinc/71/33/88/267713388.db2.gz CVMBXWXRGDFPHW-UHFFFAOYSA-N 0 0 338.448 1.825 10 0 EDAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccnc1)c1cccs1 ZINC000045978164 272912001 /nfs/dbraw/zinc/91/20/01/272912001.db2.gz OCLXAEHTZMNNRQ-LLVKDONJSA-N 0 0 339.442 1.689 10 0 EDAERN CCCCCNC(=O)CN1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000155153218 287655845 /nfs/dbraw/zinc/65/58/45/287655845.db2.gz SJXSLNHRQRMDLB-UHFFFAOYSA-N 0 0 349.479 1.612 10 0 EDAERN CC(C)CC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000157907848 287688980 /nfs/dbraw/zinc/68/89/80/287688980.db2.gz DDYYFNILJBJPLH-UKRRQHHQSA-N 0 0 325.453 1.890 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCCCCN(C)C(=O)[C@H]2CC[C@H](C)O2)O1 ZINC000246864356 287752953 /nfs/dbraw/zinc/75/29/53/287752953.db2.gz PTQZXVCDXWNURG-LXTVHRRPSA-N 0 0 326.437 1.476 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000248498345 287773119 /nfs/dbraw/zinc/77/31/19/287773119.db2.gz RRLLQAZAQCMQJB-ZQIUZPCESA-N 0 0 327.469 1.288 10 0 EDAERN CCCCOC[C@H](O)CN1CCOC[C@H]1CC(=O)c1ccco1 ZINC000248659096 287775783 /nfs/dbraw/zinc/77/57/83/287775783.db2.gz UYEJSCJGCXSDSY-HUUCEWRRSA-N 0 0 325.405 1.731 10 0 EDAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)c1cccc(-n2ccnc2)c1 ZINC000248679402 287776642 /nfs/dbraw/zinc/77/66/42/287776642.db2.gz BVHOWYNISQOEIA-CPUCHLNUSA-N 0 0 344.415 1.725 10 0 EDAERN CC1(C)C[C@H](NC(=O)N2CCS(=O)(=O)CC2)c2ccccc2O1 ZINC000150931405 276146682 /nfs/dbraw/zinc/14/66/82/276146682.db2.gz BTWLDXNMTWIRHK-ZDUSSCGKSA-N 0 0 338.429 1.729 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1Cl)N1CCOCC1 ZINC000041600902 278269195 /nfs/dbraw/zinc/26/91/95/278269195.db2.gz RNOWQPYAISNZEK-JTQLQIEISA-N 0 0 343.786 1.255 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(S(=O)(=O)C3CC3)C[C@H]12 ZINC000186624767 278439869 /nfs/dbraw/zinc/43/98/69/278439869.db2.gz QCFUZPMHGWUPGM-KGYLQXTDSA-N 0 0 330.450 1.714 10 0 EDAERN Cc1csc(NC(=O)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000188301186 279042237 /nfs/dbraw/zinc/04/22/37/279042237.db2.gz AUYRSHJMCDOJPD-SNVBAGLBSA-N 0 0 348.432 1.236 10 0 EDAERN CC(C)C[C@H](C)NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000190331363 279106937 /nfs/dbraw/zinc/10/69/37/279106937.db2.gz DEJFLPDIGGVKQB-GXTWGEPZSA-N 0 0 342.465 1.336 10 0 EDAERN Cc1nc2sc3c(c2c(N2CCOC[C@H]2C(N)=O)n1)CC[C@@H](C)C3 ZINC000248473485 279146081 /nfs/dbraw/zinc/14/60/81/279146081.db2.gz WSFHGKWSHFZIEW-SKDRFNHKSA-N 0 0 346.456 1.815 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@@]12CCCO2 ZINC000334010883 280045635 /nfs/dbraw/zinc/04/56/35/280045635.db2.gz VNVGMRRHAGXSJS-DZKIICNBSA-N 0 0 344.477 1.553 10 0 EDAERN CC(C)[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cnnn1C ZINC000330047032 280353536 /nfs/dbraw/zinc/35/35/36/280353536.db2.gz JBXJPOJLMVWJIV-CQSZACIVSA-N 0 0 326.397 1.972 10 0 EDAERN COC[C@H](O)CCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000245765563 293170890 /nfs/dbraw/zinc/17/08/90/293170890.db2.gz QZVLDUPEFSKIQX-VYDXJSESSA-N 0 0 334.416 1.110 10 0 EDAERN Cc1ccc(C)n1-c1c(C(=O)N[C@H]2CCCn3ncnc32)cnn1C ZINC000177567181 301563637 /nfs/dbraw/zinc/56/36/37/301563637.db2.gz NTRUREFVMWLXOY-AWEZNQCLSA-N 0 0 339.403 1.684 10 0 EDAERN Cc1ccc(CS(=O)(=O)CCC(=O)NC[C@H]2CCCO2)cc1 ZINC000000262850 440811485 /nfs/dbraw/zinc/81/14/85/440811485.db2.gz IPGWTWBKKHDSLD-OAHLLOKOSA-N 0 0 325.430 1.595 10 0 EDAERN O=C(NCCCOCC1CC1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000043752589 440795991 /nfs/dbraw/zinc/79/59/91/440795991.db2.gz ZWPBTOHMRDFJGZ-INIZCTEOSA-N 0 0 329.404 1.390 10 0 EDAERN O=S(=O)(N[C@H]1CCC[C@H](O)C1)c1cncc(Br)c1 ZINC000044244943 440828289 /nfs/dbraw/zinc/82/82/89/440828289.db2.gz DNPWBXJOTQEQOT-UWVGGRQHSA-N 0 0 335.223 1.426 10 0 EDAERN CO[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccc(N(C)C)cc3)CO[C@H]12 ZINC000005396609 440952297 /nfs/dbraw/zinc/95/22/97/440952297.db2.gz SMOXPXHBWVDBRQ-GBJTYRQASA-N 0 0 337.445 1.220 10 0 EDAERN COc1cccc(Nc2nc3c(cnn3C)c(N3CCOCC3)n2)c1 ZINC000007450132 441053030 /nfs/dbraw/zinc/05/30/30/441053030.db2.gz WVFWXHYTPULZBO-UHFFFAOYSA-N 0 0 340.387 1.952 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000046186905 441090212 /nfs/dbraw/zinc/09/02/12/441090212.db2.gz OOENOHLDJUQUMP-CQSZACIVSA-N 0 0 339.351 1.890 10 0 EDAERN C[C@@H](C(=O)NCCCc1cnn(C)c1)N1C(=O)c2ccccc2C1=O ZINC000102623390 441170002 /nfs/dbraw/zinc/17/00/02/441170002.db2.gz KZPRZHLMEGQMPJ-LBPRGKRZSA-N 0 0 340.383 1.154 10 0 EDAERN CC(C)CS(=O)(=O)CC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000047859995 441231100 /nfs/dbraw/zinc/23/11/00/441231100.db2.gz BVRDUGORDARORL-OAHLLOKOSA-N 0 0 326.462 1.476 10 0 EDAERN CSCC[C@H](NC(=O)[C@H]1COCCO1)c1nc2ccccc2[nH]1 ZINC000048077887 441257424 /nfs/dbraw/zinc/25/74/24/441257424.db2.gz GRZSHMLLFWLILS-UONOGXRCSA-N 0 0 335.429 1.889 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3ccnc(C)n3)CC2)cn1 ZINC000105834249 441287681 /nfs/dbraw/zinc/28/76/81/441287681.db2.gz QPRNSCKBIQUENX-UHFFFAOYSA-N 0 0 342.447 1.740 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000081583614 441293489 /nfs/dbraw/zinc/29/34/89/441293489.db2.gz NZVBHZZZXWVTJX-OAHLLOKOSA-N 0 0 328.372 1.819 10 0 EDAERN CCCCCNC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869634 441301049 /nfs/dbraw/zinc/30/10/49/441301049.db2.gz CWNHFJZLFODXQG-MRXNPFEDSA-N 0 0 335.496 1.623 10 0 EDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1ccc(Cl)cc1 ZINC000105888618 441308001 /nfs/dbraw/zinc/30/80/01/441308001.db2.gz GSDSZZHWSFBQHE-INIZCTEOSA-N 0 0 348.834 1.554 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cccc(F)c1 ZINC000024320746 441308131 /nfs/dbraw/zinc/30/81/31/441308131.db2.gz SIDKFCRQCJXYRK-INIZCTEOSA-N 0 0 329.375 1.764 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000105916627 441316449 /nfs/dbraw/zinc/31/64/49/441316449.db2.gz IFOMMLFQZCYKCC-UHFFFAOYSA-N 0 0 336.480 1.886 10 0 EDAERN C[C@@H](C(=O)N(C)C)N1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105917432 441316592 /nfs/dbraw/zinc/31/65/92/441316592.db2.gz FKJGUYZNLZIKQO-HNNXBMFYSA-N 0 0 342.443 1.936 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000081812413 441316879 /nfs/dbraw/zinc/31/68/79/441316879.db2.gz FOGISYOUKYVXTK-AWEZNQCLSA-N 0 0 325.372 1.736 10 0 EDAERN CCC[C@H](NC(=O)CN1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000105925446 441317405 /nfs/dbraw/zinc/31/74/05/441317405.db2.gz VFHKHBKOMNDMKG-MSOLQXFVSA-N 0 0 333.476 1.906 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(F)cc1 ZINC000081813861 441318040 /nfs/dbraw/zinc/31/80/40/441318040.db2.gz AXWLSOJXBUWGRV-ZDUSSCGKSA-N 0 0 331.351 1.107 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1ccccc1F ZINC000083741714 441374002 /nfs/dbraw/zinc/37/40/02/441374002.db2.gz XKSXUDPBPFRAAC-UONOGXRCSA-N 0 0 333.367 1.593 10 0 EDAERN CNC(=O)Nc1cccc(NC(=O)[C@H](C)NC(=O)c2ccco2)c1 ZINC000029157731 441448714 /nfs/dbraw/zinc/44/87/14/441448714.db2.gz RDTVILYNKAZYTF-JTQLQIEISA-N 0 0 330.344 1.788 10 0 EDAERN Cc1oc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000084735066 441416593 /nfs/dbraw/zinc/41/65/93/441416593.db2.gz REESGYBRGJEMDB-NXEZZACHSA-N 0 0 330.406 1.088 10 0 EDAERN Cn1ncc(N2CCC[C@@H](C(=O)NCCc3cccs3)C2)cc1=O ZINC000065313800 441417465 /nfs/dbraw/zinc/41/74/65/441417465.db2.gz QUCFAHLCKJRBLJ-CYBMUJFWSA-N 0 0 346.456 1.417 10 0 EDAERN C[C@H](Cc1cccnc1)N1CCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000065408778 441428634 /nfs/dbraw/zinc/42/86/34/441428634.db2.gz CJYIEJIAYLQKNB-OAHLLOKOSA-N 0 0 339.443 1.961 10 0 EDAERN Cc1nc(C)c(CCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)s1 ZINC000108315626 441442622 /nfs/dbraw/zinc/44/26/22/441442622.db2.gz MUNYSZVWEFHJOL-CQSZACIVSA-N 0 0 346.456 1.698 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087087332 441480384 /nfs/dbraw/zinc/48/03/84/441480384.db2.gz SFRGFTMFFMKMQP-NSHDSACASA-N 0 0 331.413 1.434 10 0 EDAERN CCN1CCN(CC(=O)N[C@@H](C)c2ccc(C)c(F)c2)C(=O)C1=O ZINC000088235354 441499987 /nfs/dbraw/zinc/49/99/87/441499987.db2.gz LWVJOVRCEMKMPZ-LBPRGKRZSA-N 0 0 335.379 1.002 10 0 EDAERN CCn1c(C)nnc1CN(C)[C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC000089300533 441536073 /nfs/dbraw/zinc/53/60/73/441536073.db2.gz PZASQDDWGRSNJE-MRXNPFEDSA-N 0 0 329.452 1.411 10 0 EDAERN O=C(CCC(=O)c1ccc(F)cc1F)N[C@@H]1CCc2ncnn2C1 ZINC000112657492 441552969 /nfs/dbraw/zinc/55/29/69/441552969.db2.gz NIQNWEYKNSVPEX-LLVKDONJSA-N 0 0 334.326 1.650 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000112663416 441553853 /nfs/dbraw/zinc/55/38/53/441553853.db2.gz AQEYPWQSKFKIGO-LLVKDONJSA-N 0 0 331.376 1.145 10 0 EDAERN Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCc4ncnn4C3)CC2=O)cc1 ZINC000112658958 441553934 /nfs/dbraw/zinc/55/39/34/441553934.db2.gz AHJCFIHLVPRSDA-UONOGXRCSA-N 0 0 339.399 1.071 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1O ZINC000112725381 441555821 /nfs/dbraw/zinc/55/58/21/441555821.db2.gz UAKNFIAXAKTLTE-SECBINFHSA-N 0 0 337.177 1.491 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000075976999 441574612 /nfs/dbraw/zinc/57/46/12/441574612.db2.gz RSEVEVNRGUSYCM-SWLSCSKDSA-N 0 0 340.445 1.909 10 0 EDAERN CCC[C@H](C)CS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000113291780 441598698 /nfs/dbraw/zinc/59/86/98/441598698.db2.gz YGXVHOCVHJSUHD-STQMWFEESA-N 0 0 344.481 1.823 10 0 EDAERN CCOC(=O)C1=CNC(=O)N[C@@H]1c1cc(Br)ccc1O ZINC000034364927 441599198 /nfs/dbraw/zinc/59/91/98/441599198.db2.gz FULBXWYREHFKHC-LLVKDONJSA-N 0 0 341.161 1.956 10 0 EDAERN COC(=O)CC[C@@H](C(=O)OC)c1cc(OC)c(OC)c(OC)c1 ZINC000034216364 441599607 /nfs/dbraw/zinc/59/96/07/441599607.db2.gz MOQNIHGQYUBHAM-LLVKDONJSA-N 0 0 326.345 1.922 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1Cl ZINC000113298620 441600276 /nfs/dbraw/zinc/60/02/76/441600276.db2.gz LUDBUZAMLHHGKC-VIFPVBQESA-N 0 0 330.772 1.364 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC(F)F)nc2)C1 ZINC000090518475 441632459 /nfs/dbraw/zinc/63/24/59/441632459.db2.gz YWDOKTFUMNMBEM-LLVKDONJSA-N 0 0 328.315 1.751 10 0 EDAERN Cc1cn(Cc2ncnn2Cc2c(F)cccc2Cl)c(=O)[nH]c1=O ZINC000091434313 441700269 /nfs/dbraw/zinc/70/02/69/441700269.db2.gz NDZGBCOIAQUMON-UHFFFAOYSA-N 0 0 349.753 1.326 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccccn2)ncn1 ZINC000173289702 441703855 /nfs/dbraw/zinc/70/38/55/441703855.db2.gz ZSUGBYHDDYJQEZ-GFCCVEGCSA-N 0 0 327.392 1.704 10 0 EDAERN CCCOc1ncccc1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000067984112 441704420 /nfs/dbraw/zinc/70/44/20/441704420.db2.gz DRWJOYIRXAAZKF-AWEZNQCLSA-N 0 0 336.436 1.390 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000173333744 441716076 /nfs/dbraw/zinc/71/60/76/441716076.db2.gz VUKVTQYKQUZPEW-UKRRQHHQSA-N 0 0 340.445 1.420 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121563482 441733010 /nfs/dbraw/zinc/73/30/10/441733010.db2.gz QUXQSSXVAOJWEY-ZBFHGGJFSA-N 0 0 331.478 1.601 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C)nc2C)ncn1 ZINC000173410915 441740308 /nfs/dbraw/zinc/74/03/08/441740308.db2.gz FTEXKHCOQUHYFF-CQSZACIVSA-N 0 0 340.431 1.929 10 0 EDAERN Cc1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cc1Br ZINC000091785359 441742616 /nfs/dbraw/zinc/74/26/16/441742616.db2.gz KFZBJMIHPSBVOR-NSHDSACASA-N 0 0 327.178 1.084 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000115580690 441759922 /nfs/dbraw/zinc/75/99/22/441759922.db2.gz GWGLEDYQIIEZDQ-UHFFFAOYSA-N 0 0 342.509 1.530 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000173661821 441817888 /nfs/dbraw/zinc/81/78/88/441817888.db2.gz QZYCSRUQROGSOM-OAHLLOKOSA-N 0 0 343.387 1.328 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3ccc(F)cc3)CCO2)[nH]1 ZINC000173666114 441819977 /nfs/dbraw/zinc/81/99/77/441819977.db2.gz KOTRMRPMQXHANF-ZFWWWQNUSA-N 0 0 336.367 1.065 10 0 EDAERN COc1ccc(CCNC(=O)NC[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000158973751 441776550 /nfs/dbraw/zinc/77/65/50/441776550.db2.gz VPMHZBLRPLZSID-CQSZACIVSA-N 0 0 341.839 1.521 10 0 EDAERN CCC(CC)N1C[C@@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1=O ZINC000173526578 441778440 /nfs/dbraw/zinc/77/84/40/441778440.db2.gz XZZDXRHFKPEDDG-JSGCOSHPSA-N 0 0 349.435 1.050 10 0 EDAERN CC[S@@](=O)c1ccccc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173535602 441783344 /nfs/dbraw/zinc/78/33/44/441783344.db2.gz VAFUPZQAZASSAZ-YEBMWUKDSA-N 0 0 348.428 1.454 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc4ncsc4c3)CCO2)[nH]1 ZINC000173541429 441785110 /nfs/dbraw/zinc/78/51/10/441785110.db2.gz KBPPMFOWXOKQNT-LBPRGKRZSA-N 0 0 329.385 1.937 10 0 EDAERN CCCc1ncc(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)s1 ZINC000173568009 441793865 /nfs/dbraw/zinc/79/38/65/441793865.db2.gz OFRGNIIZSHHHDH-JTQLQIEISA-N 0 0 335.433 1.990 10 0 EDAERN COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000092403860 441797058 /nfs/dbraw/zinc/79/70/58/441797058.db2.gz BDODXRIOASRBSQ-HZPDHXFCSA-N 0 0 334.416 1.866 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)C(=O)c3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173608359 441803895 /nfs/dbraw/zinc/80/38/95/441803895.db2.gz QWGLTNAGSMNLAA-LBPRGKRZSA-N 0 0 348.790 1.803 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CCCCc3c[nH]nn3)C2)no1 ZINC000139285447 441810299 /nfs/dbraw/zinc/81/02/99/441810299.db2.gz VMTGDJKRBQKQPB-CYBMUJFWSA-N 0 0 332.408 1.690 10 0 EDAERN NS(=O)(=O)c1ccc(OC[C@@H]2CN(C3CC3)CCO2)c(Cl)c1 ZINC000116885420 441858011 /nfs/dbraw/zinc/85/80/11/441858011.db2.gz DERYQHLOWHKSFZ-NSHDSACASA-N 0 0 346.836 1.229 10 0 EDAERN O=C(Cc1cccc(OC(F)(F)F)c1)N[C@H]1CCc2ncnn2C1 ZINC000122654473 441859282 /nfs/dbraw/zinc/85/92/82/441859282.db2.gz XQDMNIGKGVNMLE-NSHDSACASA-N 0 0 340.305 1.850 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCN1CCOC ZINC000117526702 441874637 /nfs/dbraw/zinc/87/46/37/441874637.db2.gz UZIXSQVBKLZXJZ-HNNXBMFYSA-N 0 0 337.395 1.333 10 0 EDAERN CCOc1ccccc1NC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173924788 441863385 /nfs/dbraw/zinc/86/33/85/441863385.db2.gz DZSKKCOKLMMGKW-HNNXBMFYSA-N 0 0 333.432 1.430 10 0 EDAERN COCCN1CCN(C(=O)Cc2sc(=S)[nH]c2C)C[C@@H]1C ZINC000117292919 441866649 /nfs/dbraw/zinc/86/66/49/441866649.db2.gz WOHRZWXVEKMCOR-JTQLQIEISA-N 0 0 329.491 1.836 10 0 EDAERN COCCN1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)C[C@H]1C ZINC000117288306 441868186 /nfs/dbraw/zinc/86/81/86/441868186.db2.gz CWTDCTFLBUSJTP-PMGBHYCQSA-N 0 0 348.443 1.896 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCN1CCOC ZINC000117309693 441868579 /nfs/dbraw/zinc/86/85/79/441868579.db2.gz OAVWXAWJXMUCAN-INIZCTEOSA-N 0 0 343.431 1.450 10 0 EDAERN C[C@@H](NS(=O)(=O)C[C@H]1CCOC1)c1cccc(-n2ccnc2)c1 ZINC000173965384 441870157 /nfs/dbraw/zinc/87/01/57/441870157.db2.gz SOHAXADIWGQKMH-KGLIPLIRSA-N 0 0 335.429 1.889 10 0 EDAERN CN(CCOCc1ccccc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000123000666 441872773 /nfs/dbraw/zinc/87/27/73/441872773.db2.gz UMIVVEVNVGNNDZ-HNNXBMFYSA-N 0 0 329.404 1.971 10 0 EDAERN CCOCc1ccccc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173774903 441838193 /nfs/dbraw/zinc/83/81/93/441838193.db2.gz QIJGTMZLQQOYRL-SFHVURJKSA-N 0 0 347.459 1.839 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173814091 441844728 /nfs/dbraw/zinc/84/47/28/441844728.db2.gz UQKTVXSFCVLLSV-RDTXWAMCSA-N 0 0 345.443 1.115 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1C ZINC000173822448 441845649 /nfs/dbraw/zinc/84/56/49/441845649.db2.gz IMDYJYQRPJZAEQ-HIFRSBDPSA-N 0 0 332.400 1.584 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@@H]1N1CCOCC1 ZINC000173832725 441847262 /nfs/dbraw/zinc/84/72/62/441847262.db2.gz OTUBTBKZYZUMAG-DYVFJYSZSA-N 0 0 345.443 1.046 10 0 EDAERN C[C@@H]1CN(C(=O)COCCOc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173876252 441854689 /nfs/dbraw/zinc/85/46/89/441854689.db2.gz BWNUSTBQCNPTOB-AEFFLSMTSA-N 0 0 348.443 1.261 10 0 EDAERN CCc1nc(CCNC(=O)N2CCN(CCOC)[C@H](C)C2)cs1 ZINC000117490106 441874335 /nfs/dbraw/zinc/87/43/35/441874335.db2.gz RAVQMRNILQZIMQ-CYBMUJFWSA-N 0 0 340.493 1.610 10 0 EDAERN CC[C@@H](O)CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000118857417 441908198 /nfs/dbraw/zinc/90/81/98/441908198.db2.gz VQHYNHZDILMAMD-MSOLQXFVSA-N 0 0 331.460 1.395 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000119053488 441915051 /nfs/dbraw/zinc/91/50/51/441915051.db2.gz RWDIYVAHFQDVFS-AWEZNQCLSA-N 0 0 336.436 1.894 10 0 EDAERN COCCN1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C[C@H]1C ZINC000123189439 441878574 /nfs/dbraw/zinc/87/85/74/441878574.db2.gz RYINVBLMIVPUGG-GFCCVEGCSA-N 0 0 347.390 1.460 10 0 EDAERN CCc1ccccc1N1C[C@H](C(=O)NCCn2cc(C)cn2)CC1=O ZINC000117809796 441880361 /nfs/dbraw/zinc/88/03/61/441880361.db2.gz HYZJGFBOWAEGJP-MRXNPFEDSA-N 0 0 340.427 1.923 10 0 EDAERN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000118079098 441885456 /nfs/dbraw/zinc/88/54/56/441885456.db2.gz OERMEUZZXGOQGZ-HOTGVXAUSA-N 0 0 349.479 1.918 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000118079838 441885854 /nfs/dbraw/zinc/88/58/54/441885854.db2.gz JNULNKMERJFMRI-KRWDZBQOSA-N 0 0 327.432 1.890 10 0 EDAERN COc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077939995 441889287 /nfs/dbraw/zinc/88/92/87/441889287.db2.gz NMFMOWXAGZODEG-QMTHXVAHSA-N 0 0 340.807 1.954 10 0 EDAERN CCCCCc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000118115666 441890987 /nfs/dbraw/zinc/89/09/87/441890987.db2.gz HINDAMKOWWWJSX-KRWDZBQOSA-N 0 0 347.459 1.805 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC(C1CC1)C1CC1 ZINC000123645588 441894778 /nfs/dbraw/zinc/89/47/78/441894778.db2.gz MRWCHOGGLUKCCK-SNVBAGLBSA-N 0 0 347.440 1.418 10 0 EDAERN CCOc1c(Cl)cc([C@H]2NC(=O)[C@@H]3COCCN32)cc1OC ZINC000093884019 441898283 /nfs/dbraw/zinc/89/82/83/441898283.db2.gz URTPHOZBLSOFSC-FZMZJTMJSA-N 0 0 326.780 1.577 10 0 EDAERN Cn1nc(-c2ccccc2)c([C@@H]2NC(=O)[C@@H]3COCCN23)c1Cl ZINC000093884704 441898671 /nfs/dbraw/zinc/89/86/71/441898671.db2.gz NWROWXSIFTZXMI-XHDPSFHLSA-N 0 0 332.791 1.570 10 0 EDAERN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000093885134 441898839 /nfs/dbraw/zinc/89/88/39/441898839.db2.gz SKKKIUJCCPNLOL-GOEBONIOSA-N 0 0 330.363 1.457 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C12CCCC2 ZINC000150810575 441954953 /nfs/dbraw/zinc/95/49/53/441954953.db2.gz BFGJJUAWSNTQNL-LSDHHAIUSA-N 0 0 331.416 1.990 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccn(CCOC)n2)C[C@H]1C ZINC000150817565 441955882 /nfs/dbraw/zinc/95/58/82/441955882.db2.gz SECYSPFQLLYUKD-CQSZACIVSA-N 0 0 339.440 1.104 10 0 EDAERN COC[C@@H](NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000120029463 441996662 /nfs/dbraw/zinc/99/66/62/441996662.db2.gz XHDCMEXEYKJDCO-QZTJIDSGSA-N 0 0 347.459 1.472 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NS(=O)(=O)C[C@@H](C)c1ccccc1)CC2 ZINC000150981137 441985412 /nfs/dbraw/zinc/98/54/12/441985412.db2.gz ODEPPGFJGPPVSY-DOMZBBRYSA-N 0 0 334.445 1.624 10 0 EDAERN CCc1nsc(N2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)n1 ZINC000174952255 441989344 /nfs/dbraw/zinc/98/93/44/441989344.db2.gz SXLYIEHLJLPLLE-NEPJUHHUSA-N 0 0 339.465 1.500 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3cccs3)CCO2)[nH]1 ZINC000151106514 442006392 /nfs/dbraw/zinc/00/63/92/442006392.db2.gz KSAOZLBHKRFDKX-GFCCVEGCSA-N 0 0 335.433 1.754 10 0 EDAERN CCc1ccc([C@H](COC)NC(=O)N[C@H]2CCc3ncnn3C2)o1 ZINC000175118306 442007772 /nfs/dbraw/zinc/00/77/72/442007772.db2.gz NDKAOPZWPOFUOF-AAEUAGOBSA-N 0 0 333.392 1.435 10 0 EDAERN CCC[C@H](NC(=O)Cn1nnnc1C(C)C)C(=O)OC(C)(C)C ZINC000161591859 442015601 /nfs/dbraw/zinc/01/56/01/442015601.db2.gz NNXZDSWWUQKETE-NSHDSACASA-N 0 0 325.413 1.423 10 0 EDAERN COc1cccc(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000175296960 442035602 /nfs/dbraw/zinc/03/56/02/442035602.db2.gz SKEPXQUIEFZHNC-CQSZACIVSA-N 0 0 331.376 1.405 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)C)C(C)C ZINC000162442321 442094256 /nfs/dbraw/zinc/09/42/56/442094256.db2.gz ULUSODRZKYZXNG-DZGCQCFKSA-N 0 0 328.453 1.972 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000162751071 442119880 /nfs/dbraw/zinc/11/98/80/442119880.db2.gz QXYPHCOFDPBHLX-LLVKDONJSA-N 0 0 328.727 1.582 10 0 EDAERN CCc1nc(C2(NC(=O)CCCNC(=O)C3CC3)CCCC2)no1 ZINC000175797267 442124893 /nfs/dbraw/zinc/12/48/93/442124893.db2.gz ZBDBNLNILKLSEP-UHFFFAOYSA-N 0 0 334.420 1.824 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)nc2)C[C@H]1CC ZINC000120602116 442102727 /nfs/dbraw/zinc/10/27/27/442102727.db2.gz PQXOYOFJUWLTTD-MRXNPFEDSA-N 0 0 348.447 1.288 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1c(C)nn(C)c1C ZINC000176281305 442204301 /nfs/dbraw/zinc/20/43/01/442204301.db2.gz KBMIEMKWHFOPDS-AWEZNQCLSA-N 0 0 345.451 1.568 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NC[C@@H]3CCCS3)CC2)cn1 ZINC000127130328 442173103 /nfs/dbraw/zinc/17/31/03/442173103.db2.gz FIRCVGZJLHRBSG-HNNXBMFYSA-N 0 0 337.493 1.533 10 0 EDAERN Cn1ncc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1-n1cccc1 ZINC000127145002 442175358 /nfs/dbraw/zinc/17/53/58/442175358.db2.gz HJPYSPZHKZVCED-AWEZNQCLSA-N 0 0 339.403 1.355 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)c2cccnc2c1C ZINC000121139588 442181337 /nfs/dbraw/zinc/18/13/37/442181337.db2.gz FSYOFLJNOWOMDZ-CYBMUJFWSA-N 0 0 327.384 1.773 10 0 EDAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cnn(-c2ccccc2)c1 ZINC000121258974 442197173 /nfs/dbraw/zinc/19/71/73/442197173.db2.gz XRSZREPZGKGOAK-BBRMVZONSA-N 0 0 335.429 1.702 10 0 EDAERN CCN1CCC[C@@H]1CN(C)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000164508477 442198129 /nfs/dbraw/zinc/19/81/29/442198129.db2.gz QMDQBXABHMTFJW-GFCCVEGCSA-N 0 0 330.475 1.708 10 0 EDAERN C[C@@H](NC(=O)NC[C@H](CO)c1ccccc1)c1nnc2n1CCCC2 ZINC000121300525 442200410 /nfs/dbraw/zinc/20/04/10/442200410.db2.gz CPVCNWKSNSGUDH-UKRRQHHQSA-N 0 0 343.431 1.751 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NC(C3CC3)C3CC3)C2=O)n(C)n1 ZINC000175939524 442150725 /nfs/dbraw/zinc/15/07/25/442150725.db2.gz FAXDLGXEXHYOFV-AWEZNQCLSA-N 0 0 345.447 1.712 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)CCCSC)CC2)n1 ZINC000120942930 442154608 /nfs/dbraw/zinc/15/46/08/442154608.db2.gz ORKUDRHOSWZKNG-LBPRGKRZSA-N 0 0 326.466 1.980 10 0 EDAERN CC[C@H](COC)NC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000163283054 442155987 /nfs/dbraw/zinc/15/59/87/442155987.db2.gz VHLHIRHEBBQBFY-SJORKVTESA-N 0 0 335.448 1.472 10 0 EDAERN COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000176001155 442159496 /nfs/dbraw/zinc/15/94/96/442159496.db2.gz UIJCOMMMZASOHM-QGZVFWFLSA-N 0 0 349.479 1.476 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC000176778592 442256572 /nfs/dbraw/zinc/25/65/72/442256572.db2.gz QKHYHANMDQWABQ-OLZOCXBDSA-N 0 0 327.450 1.290 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cnn(CC(F)F)c2)o1 ZINC000152982290 442254813 /nfs/dbraw/zinc/25/48/13/442254813.db2.gz QDCHJGSMCIBICF-VIFPVBQESA-N 0 0 326.303 1.866 10 0 EDAERN CC(C)c1csc([C@H]2CCCN(CCNS(C)(=O)=O)C2)n1 ZINC000127668531 442218422 /nfs/dbraw/zinc/21/84/22/442218422.db2.gz KOJDZEWAAGOTBQ-LBPRGKRZSA-N 0 0 331.507 1.995 10 0 EDAERN C[S@@](=O)c1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000127805995 442226476 /nfs/dbraw/zinc/22/64/76/442226476.db2.gz PSLWEKBOQPHRPK-NPMABZOXSA-N 0 0 332.429 1.568 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCCn3ncnc31)CC2 ZINC000176534852 442231940 /nfs/dbraw/zinc/23/19/40/442231940.db2.gz GVBZQWVQWSBUSW-RYUDHWBXSA-N 0 0 344.423 1.142 10 0 EDAERN COc1ccc(Cl)cc1NCCC(=O)NC[C@H]1CN(C)CCO1 ZINC000170683661 442247979 /nfs/dbraw/zinc/24/79/79/442247979.db2.gz MHIYQZOGQAICAU-ZDUSSCGKSA-N 0 0 341.839 1.597 10 0 EDAERN C[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1nnc2n1CCCC2 ZINC000153111626 442262189 /nfs/dbraw/zinc/26/21/89/442262189.db2.gz BQUBNAJNAHETFH-FZMZJTMJSA-N 0 0 347.394 1.847 10 0 EDAERN CC(C)CCS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000128404784 442264683 /nfs/dbraw/zinc/26/46/83/442264683.db2.gz PIYXTJDZNAVMOZ-AWEZNQCLSA-N 0 0 326.466 1.753 10 0 EDAERN CC[C@H](CCO)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000176876572 442265815 /nfs/dbraw/zinc/26/58/15/442265815.db2.gz LTDZRYVVNBCRHT-CHWSQXEVSA-N 0 0 342.461 1.859 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000170806554 442267259 /nfs/dbraw/zinc/26/72/59/442267259.db2.gz XOAVEWYUYNUIKC-WFASDCNBSA-N 0 0 335.379 1.467 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000170821571 442268884 /nfs/dbraw/zinc/26/88/84/442268884.db2.gz FFEXQVNTTFZFHP-CJNGLKHVSA-N 0 0 343.427 1.705 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1cccc(O)c1 ZINC000153244983 442270524 /nfs/dbraw/zinc/27/05/24/442270524.db2.gz IOEBWHVPLWYUOE-AWEZNQCLSA-N 0 0 345.403 1.507 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000176925764 442274411 /nfs/dbraw/zinc/27/44/11/442274411.db2.gz DTQGGLCDRLSWIU-LLVKDONJSA-N 0 0 326.447 1.672 10 0 EDAERN COCCNC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000176924852 442274455 /nfs/dbraw/zinc/27/44/55/442274455.db2.gz MGLIXBXKCWPIRH-CYBMUJFWSA-N 0 0 327.450 1.409 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3oc(C)cc3C)C2=O)n(C)n1 ZINC000176975498 442279659 /nfs/dbraw/zinc/27/96/59/442279659.db2.gz UVDZUFGUXNFMBW-ZDUSSCGKSA-N 0 0 330.388 1.864 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)C[C@@H]1N1CCOCC1 ZINC000176993936 442281781 /nfs/dbraw/zinc/28/17/81/442281781.db2.gz YBKKQXLVZWRVNR-ABAIWWIYSA-N 0 0 346.399 1.306 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccc(-c3ncon3)cc2)CCS1(=O)=O ZINC000153442383 442282919 /nfs/dbraw/zinc/28/29/19/442282919.db2.gz TWAMFUDZCRKOHY-SNVBAGLBSA-N 0 0 336.373 1.387 10 0 EDAERN COc1ccc(CNC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)cn1 ZINC000170887779 442283246 /nfs/dbraw/zinc/28/32/46/442283246.db2.gz AUSYQXMHDKZDBN-ZDUSSCGKSA-N 0 0 345.403 1.946 10 0 EDAERN C[C@H]1CN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)CCS1 ZINC000170901262 442286019 /nfs/dbraw/zinc/28/60/19/442286019.db2.gz LJLNBSNVAIBFPJ-NSHDSACASA-N 0 0 332.429 1.647 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000153521213 442287598 /nfs/dbraw/zinc/28/75/98/442287598.db2.gz NNLBWVSOKHIXLF-AWEZNQCLSA-N 0 0 343.435 1.988 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCCn2cnc3ccccc32)C1 ZINC000170920042 442288415 /nfs/dbraw/zinc/28/84/15/442288415.db2.gz SPACAVFRCKYJTN-AWEZNQCLSA-N 0 0 331.420 1.056 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCn2ccc3ccccc32)C1 ZINC000170920014 442288921 /nfs/dbraw/zinc/28/89/21/442288921.db2.gz UOOBPFOSESVHKU-MRXNPFEDSA-N 0 0 330.432 1.661 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000170924655 442290059 /nfs/dbraw/zinc/29/00/59/442290059.db2.gz YAVRPVRYTWEFBC-GOSISDBHSA-N 0 0 347.459 1.708 10 0 EDAERN COC(=O)C(C)(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000177118465 442299928 /nfs/dbraw/zinc/29/99/28/442299928.db2.gz GRCJXYYCDZOIRA-HOCLYGCPSA-N 0 0 346.427 1.912 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000129117771 442302157 /nfs/dbraw/zinc/30/21/57/442302157.db2.gz BHYCIMYVVRLYFP-KRWDZBQOSA-N 0 0 343.431 1.793 10 0 EDAERN CCc1ccc(C(=O)CCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154140053 442323868 /nfs/dbraw/zinc/32/38/68/442323868.db2.gz MYWYNRDJCFMKOK-KRWDZBQOSA-N 0 0 348.443 1.021 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(-c2ccccc2C)nn1CCO ZINC000171230356 442331402 /nfs/dbraw/zinc/33/14/02/442331402.db2.gz REETWLWFWQVARH-ZIAGYGMSSA-N 0 0 343.383 1.598 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000171286058 442338331 /nfs/dbraw/zinc/33/83/31/442338331.db2.gz WWHXGJVLRHKTST-QGZVFWFLSA-N 0 0 327.384 1.934 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2Nc1nc(C)nc2c1cnn2C ZINC000177455826 442343512 /nfs/dbraw/zinc/34/35/12/442343512.db2.gz AQGQWIZIKFTESU-LLVKDONJSA-N 0 0 328.380 1.357 10 0 EDAERN COc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000171397063 442345594 /nfs/dbraw/zinc/34/55/94/442345594.db2.gz NERIOSPOWBDDBG-HNNXBMFYSA-N 0 0 328.372 1.731 10 0 EDAERN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000171432803 442347826 /nfs/dbraw/zinc/34/78/26/442347826.db2.gz ZDQALCAVRQPSTM-OAHLLOKOSA-N 0 0 349.412 1.733 10 0 EDAERN O=C(Nc1ccc(-c2ncco2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000153895017 442309481 /nfs/dbraw/zinc/30/94/81/442309481.db2.gz PZJXJRSWAWLULH-UKRRQHHQSA-N 0 0 343.383 1.947 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(F)c(F)c3F)CCO2)[nH]1 ZINC000177236499 442317825 /nfs/dbraw/zinc/31/78/25/442317825.db2.gz LDWITEYYWNCAEB-SNVBAGLBSA-N 0 0 326.278 1.744 10 0 EDAERN COc1ncccc1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172044423 442403886 /nfs/dbraw/zinc/40/38/86/442403886.db2.gz PBEZKIYKEMZYLH-UHFFFAOYSA-N 0 0 344.419 1.564 10 0 EDAERN CC(C)(CNC(=O)N1CCC(c2cc[nH]n2)CC1)N1CCOCC1 ZINC000155203655 442381840 /nfs/dbraw/zinc/38/18/40/442381840.db2.gz SSQJPKDRPPNDKV-UHFFFAOYSA-N 0 0 335.452 1.410 10 0 EDAERN COc1ncccc1NC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000171806734 442382231 /nfs/dbraw/zinc/38/22/31/442382231.db2.gz AHXRSVKVGGHMFM-CQSZACIVSA-N 0 0 345.403 1.836 10 0 EDAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000131895607 442382796 /nfs/dbraw/zinc/38/27/96/442382796.db2.gz AXEXDGAJAOJOMW-GWCFXTLKSA-N 0 0 330.436 1.976 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178002594 442401131 /nfs/dbraw/zinc/40/11/31/442401131.db2.gz LDQFZEUTCDTMDV-RDTXWAMCSA-N 0 0 334.391 1.709 10 0 EDAERN CC(C)n1nnnc1CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000154759115 442355117 /nfs/dbraw/zinc/35/51/17/442355117.db2.gz ZPUSGXFWVBUWET-UHFFFAOYSA-N 0 0 344.419 1.810 10 0 EDAERN CC[C@](C)(O)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171599698 442360920 /nfs/dbraw/zinc/36/09/20/442360920.db2.gz LPNZMKNWMKEKEW-NHYWBVRUSA-N 0 0 328.434 1.611 10 0 EDAERN CCOCCCNC(=O)C1CCN(Cc2nnnn2C(C)C)CC1 ZINC000154871549 442361657 /nfs/dbraw/zinc/36/16/57/442361657.db2.gz RQGNBLBSHBRYIC-UHFFFAOYSA-N 0 0 338.456 1.009 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3cccnc3)CCO2)n1 ZINC000171609897 442362602 /nfs/dbraw/zinc/36/26/02/442362602.db2.gz CZBRPCOHSGGBTD-MRXNPFEDSA-N 0 0 329.404 1.506 10 0 EDAERN O=C(NC1CCSCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172131216 442412729 /nfs/dbraw/zinc/41/27/29/442412729.db2.gz GSSASUYSOKXCJA-KRWDZBQOSA-N 0 0 349.500 1.943 10 0 EDAERN Cn1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1=O ZINC000172180236 442420288 /nfs/dbraw/zinc/42/02/88/442420288.db2.gz FQNODYOQOORFQW-RHSMWYFYSA-N 0 0 339.395 1.934 10 0 EDAERN COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178320087 442424233 /nfs/dbraw/zinc/42/42/33/442424233.db2.gz KNRAMENFBGSEPH-QGZVFWFLSA-N 0 0 342.443 1.981 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)s1 ZINC000178373880 442428537 /nfs/dbraw/zinc/42/85/37/442428537.db2.gz UFTHOURKRBHDRS-QMMMGPOBSA-N 0 0 341.462 1.727 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(F)cc1F)CC2 ZINC000172257388 442431093 /nfs/dbraw/zinc/43/10/93/442431093.db2.gz PSWCKKNLOZXLHM-LLVKDONJSA-N 0 0 336.342 1.629 10 0 EDAERN CNC(=O)[C@H](NC(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)C(C)C ZINC000178413670 442431479 /nfs/dbraw/zinc/43/14/79/442431479.db2.gz OELWBKPJRRWZER-MRXNPFEDSA-N 0 0 343.431 1.989 10 0 EDAERN COC(=O)c1ccc(CCNC(=O)NCCn2cc(C)cn2)cc1 ZINC000172271132 442433597 /nfs/dbraw/zinc/43/35/97/442433597.db2.gz YKMVBMOSUKMBKM-UHFFFAOYSA-N 0 0 330.388 1.520 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1F)CC2 ZINC000172293991 442436600 /nfs/dbraw/zinc/43/66/00/442436600.db2.gz NHBDDHLPWKDFEY-SNVBAGLBSA-N 0 0 346.366 1.215 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(C)C ZINC000178695004 442458010 /nfs/dbraw/zinc/45/80/10/442458010.db2.gz RJFFGSIYSLNGLX-MRXNPFEDSA-N 0 0 328.416 1.990 10 0 EDAERN CC(C)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000172360257 442449468 /nfs/dbraw/zinc/44/94/68/442449468.db2.gz JOGGVHPDIFRYLQ-NWDGAFQWSA-N 0 0 327.450 1.986 10 0 EDAERN C[C@H]1CN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCS1 ZINC000179429559 442456145 /nfs/dbraw/zinc/45/61/45/442456145.db2.gz IPTBNIXAYOUDFJ-NSHDSACASA-N 0 0 333.417 1.540 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)cn1 ZINC000191748532 442504684 /nfs/dbraw/zinc/50/46/84/442504684.db2.gz IHEDMKUMJXELNU-DOTOQJQBSA-N 0 0 327.384 1.979 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)N1CCCCC1=O)C(C)C ZINC000178857809 442504766 /nfs/dbraw/zinc/50/47/66/442504766.db2.gz QPONIANWKFSCJY-DZGCQCFKSA-N 0 0 325.453 1.300 10 0 EDAERN CNC(=O)[C@H](NC(=O)CSCc1cn2cc(C)ccc2n1)C(C)C ZINC000178714259 442461693 /nfs/dbraw/zinc/46/16/93/442461693.db2.gz ZXWZUVDQEMHOGY-MRXNPFEDSA-N 0 0 348.472 1.763 10 0 EDAERN CSCC[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)c1nc2ccccc2[nH]1 ZINC000156310398 442465243 /nfs/dbraw/zinc/46/52/43/442465243.db2.gz PSLSRCRBAZDKDN-BXUZGUMPSA-N 0 0 346.456 2.000 10 0 EDAERN CCNc1nc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cs1 ZINC000191594017 442472272 /nfs/dbraw/zinc/47/22/72/442472272.db2.gz SIYLCCIBYNLCFZ-GXSJLCMTSA-N 0 0 337.405 1.869 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C2CC(=O)C2)CC1 ZINC000191591113 442472278 /nfs/dbraw/zinc/47/22/78/442472278.db2.gz XIIYNINLJCQNAF-CQSZACIVSA-N 0 0 338.448 1.620 10 0 EDAERN C[C@H](NC(=O)c1cc(F)ccc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000157181064 442558306 /nfs/dbraw/zinc/55/83/06/442558306.db2.gz ICCYGZXZDRELTN-VIFPVBQESA-N 0 0 338.360 1.670 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172761165 442536657 /nfs/dbraw/zinc/53/66/57/442536657.db2.gz IOQTZQHMOSMARC-HNNXBMFYSA-N 0 0 341.411 1.046 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc3n[nH]nc3c2)C12CCOCC2 ZINC000186452083 442537404 /nfs/dbraw/zinc/53/74/04/442537404.db2.gz PGPBIMYLJJWUPI-LSDHHAIUSA-N 0 0 330.388 1.662 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)CCCc2nc(C)no2)C12CCOCC2 ZINC000186452170 442537840 /nfs/dbraw/zinc/53/78/40/442537840.db2.gz YSKMOCBHGHSQPM-KBPBESRZSA-N 0 0 337.420 1.791 10 0 EDAERN COCCOc1cccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000180106895 442543155 /nfs/dbraw/zinc/54/31/55/442543155.db2.gz MMFMYKJLAHKSOQ-INIZCTEOSA-N 0 0 332.404 1.712 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000157062084 442545781 /nfs/dbraw/zinc/54/57/81/442545781.db2.gz FQMKBMNOKCUHMW-AWEZNQCLSA-N 0 0 332.400 1.865 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)N[C@@H]1CCCC[C@@H]1CO ZINC000157196886 442559154 /nfs/dbraw/zinc/55/91/54/442559154.db2.gz DHEHYFSAOUKHRP-QMTHXVAHSA-N 0 0 326.343 1.362 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1cc(F)ccc1OC)CC2 ZINC000186400410 442526561 /nfs/dbraw/zinc/52/65/61/442526561.db2.gz FHNCWHTXHKVJSO-ZDUSSCGKSA-N 0 0 332.379 1.662 10 0 EDAERN CNC(=O)[C@H](NS(=O)(=O)c1ccccc1Br)C(C)C ZINC000178927145 442528389 /nfs/dbraw/zinc/52/83/89/442528389.db2.gz DWLDDGZPGHVXNL-LLVKDONJSA-N 0 0 349.250 1.498 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000191994696 442557991 /nfs/dbraw/zinc/55/79/91/442557991.db2.gz KANGEIHIOYTHMT-AWEZNQCLSA-N 0 0 327.469 1.408 10 0 EDAERN CCn1nc(C)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1Cl ZINC000172745802 442531105 /nfs/dbraw/zinc/53/11/05/442531105.db2.gz USYKRKBKLGCRNS-GFCCVEGCSA-N 0 0 326.828 1.412 10 0 EDAERN CCOCCN1CCN(C(=O)/C=C/c2ccc(OC)c(O)c2)C[C@@H]1C ZINC000186630907 442576971 /nfs/dbraw/zinc/57/69/71/442576971.db2.gz OWXNDFPESSVUPB-VFADXPBXSA-N 0 0 348.443 1.983 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](Nc1ncccc1S(C)(=O)=O)CC2 ZINC000192093402 442590396 /nfs/dbraw/zinc/59/03/96/442590396.db2.gz LBAKDIKKSNABOF-NSHDSACASA-N 0 0 335.433 1.627 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cnccn2)CC1 ZINC000192103507 442593036 /nfs/dbraw/zinc/59/30/36/442593036.db2.gz GMUQQAURTNTPFB-UHFFFAOYSA-N 0 0 348.447 1.745 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCc3ccc(F)cc3F)CCO2)[nH]1 ZINC000157583400 442595316 /nfs/dbraw/zinc/59/53/16/442595316.db2.gz OTFUKBSLDZAHGY-CQSZACIVSA-N 0 0 336.342 1.924 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC2(C)OCCO2)[C@H]1c1ccc(F)cc1 ZINC000179210882 442597676 /nfs/dbraw/zinc/59/76/76/442597676.db2.gz DTUJGIXGTIUILM-UKRRQHHQSA-N 0 0 336.363 1.224 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(Cl)n3)C2=O)n(C)n1 ZINC000173067930 442598380 /nfs/dbraw/zinc/59/83/80/442598380.db2.gz DJQYSUYHRZXZJU-GFCCVEGCSA-N 0 0 347.806 1.702 10 0 EDAERN CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000192145242 442602799 /nfs/dbraw/zinc/60/27/99/442602799.db2.gz ONGPATFYHMHGIV-SJLPKXTDSA-N 0 0 347.459 1.687 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cc(C)ccc3C)CCO2)[nH]1 ZINC000180226867 442562228 /nfs/dbraw/zinc/56/22/28/442562228.db2.gz NLYWUCHSSXMTIA-CQSZACIVSA-N 0 0 343.387 1.269 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2ncccc2C)C1 ZINC000192377977 442642420 /nfs/dbraw/zinc/64/24/20/442642420.db2.gz KHLJGVVJITYDQL-GXTWGEPZSA-N 0 0 331.376 1.753 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccnn2C(C)(C)C)cn1 ZINC000180660842 442644986 /nfs/dbraw/zinc/64/49/86/442644986.db2.gz DXGVNEPDGDBZBW-CYBMUJFWSA-N 0 0 344.419 1.674 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1F ZINC000180682701 442648072 /nfs/dbraw/zinc/64/80/72/442648072.db2.gz TUGBOOJKLGBYFV-CYBMUJFWSA-N 0 0 346.362 1.197 10 0 EDAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)O2 ZINC000180696828 442649219 /nfs/dbraw/zinc/64/92/19/442649219.db2.gz KCQCJHYASQNYRE-GYMHETDLSA-N 0 0 325.453 1.654 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)Cc2cn3ccccc3n2)C12CCOCC2 ZINC000187114166 442654039 /nfs/dbraw/zinc/65/40/39/442654039.db2.gz DSXVNSIFWKIELT-CVEARBPZSA-N 0 0 343.427 1.967 10 0 EDAERN COc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)nc1Br ZINC000181074669 442679229 /nfs/dbraw/zinc/67/92/29/442679229.db2.gz UBEFGABXDLMEEJ-VIFPVBQESA-N 0 0 330.182 1.092 10 0 EDAERN O=C(CN1CCCCCC1=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000187603361 442682327 /nfs/dbraw/zinc/68/23/27/442682327.db2.gz ASGMMMGKKDBBGC-LSDHHAIUSA-N 0 0 336.457 1.685 10 0 EDAERN CC(C)[C@H](O)CC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000181462903 442698613 /nfs/dbraw/zinc/69/86/13/442698613.db2.gz XRHOXYOSWHHNOT-ZWNOBZJWSA-N 0 0 326.343 1.593 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(OC)CCC2)ncn1 ZINC000181616744 442706533 /nfs/dbraw/zinc/70/65/33/442706533.db2.gz SEYLYPTVMDDIIT-CYBMUJFWSA-N 0 0 348.451 1.355 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O ZINC000193376633 442737480 /nfs/dbraw/zinc/73/74/80/442737480.db2.gz JXIUTQFKVVAEOS-IUODEOHRSA-N 0 0 326.418 1.693 10 0 EDAERN CC[C@@H]1CN(C(=O)NCc2ccc(Cl)cn2)CC[N@@H+]1C[C@@H](C)O ZINC000182144874 442739529 /nfs/dbraw/zinc/73/95/29/442739529.db2.gz GGMAWZYJIQYSNY-IUODEOHRSA-N 0 0 340.855 1.722 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182189411 442743796 /nfs/dbraw/zinc/74/37/96/442743796.db2.gz CZSPMMJUXQQDRW-GFCCVEGCSA-N 0 0 332.326 1.576 10 0 EDAERN COc1ccc(F)c(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1OC ZINC000188438378 442750000 /nfs/dbraw/zinc/75/00/00/442750000.db2.gz CPJOPFNNHTULKL-GFCCVEGCSA-N 0 0 349.362 1.581 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000188098342 442711439 /nfs/dbraw/zinc/71/14/39/442711439.db2.gz NNRNTVSDBSTTRZ-SNVBAGLBSA-N 0 0 334.326 1.501 10 0 EDAERN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000188685555 442787872 /nfs/dbraw/zinc/78/78/72/442787872.db2.gz MQLCPFZWRMVTPU-JOYOIKCWSA-N 0 0 346.305 1.185 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000188506193 442757661 /nfs/dbraw/zinc/75/76/61/442757661.db2.gz KHZYOGJZDUTFPV-AWEZNQCLSA-N 0 0 337.807 1.484 10 0 EDAERN O=C(CCc1ccc2c(c1)OCCO2)N1CC(NC(=O)C2CCC2)C1 ZINC000188510257 442758064 /nfs/dbraw/zinc/75/80/64/442758064.db2.gz HURJGQMZZNTLCE-UHFFFAOYSA-N 0 0 344.411 1.518 10 0 EDAERN O=C(Cc1ccc(-n2cccn2)cc1)N1CC(NC(=O)C2CCC2)C1 ZINC000188520227 442759692 /nfs/dbraw/zinc/75/96/92/442759692.db2.gz QMCKVEVLFSAMMX-UHFFFAOYSA-N 0 0 338.411 1.542 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000246309445 442771388 /nfs/dbraw/zinc/77/13/88/442771388.db2.gz DAJVZWDGCONGEX-UKRRQHHQSA-N 0 0 325.434 1.511 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000246336230 442774089 /nfs/dbraw/zinc/77/40/89/442774089.db2.gz FATLGWNNNJADQO-HZSPNIEDSA-N 0 0 333.498 1.180 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1ncon1)C(C)C ZINC000182539636 442783515 /nfs/dbraw/zinc/78/35/15/442783515.db2.gz FYEYXXJZSOJENA-RISCZKNCSA-N 0 0 346.387 1.710 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCN1C[C@H](C)O ZINC000247060255 442832299 /nfs/dbraw/zinc/83/22/99/442832299.db2.gz ZBMXJDOGCHDVLE-JKSUJKDBSA-N 0 0 342.443 1.790 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2CO)ccc1Br ZINC000193924205 442813091 /nfs/dbraw/zinc/81/30/91/442813091.db2.gz UOIARFZDAJRBKX-SECBINFHSA-N 0 0 342.193 1.074 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1)[C@H]1CCCO1 ZINC000193943110 442816319 /nfs/dbraw/zinc/81/63/19/442816319.db2.gz QBJFIDRSAOLAMK-SWLSCSKDSA-N 0 0 328.372 1.495 10 0 EDAERN Cc1cc2ccccc2n1CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246850396 442817961 /nfs/dbraw/zinc/81/79/61/442817961.db2.gz UXUXNWJDDZSBDQ-HOTGVXAUSA-N 0 0 329.444 1.863 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(Cc2ccc(CO)cc2)CC1 ZINC000182753575 442819453 /nfs/dbraw/zinc/81/94/53/442819453.db2.gz AWMOFRHLPLODIH-UHFFFAOYSA-N 0 0 328.460 1.847 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000188958099 442849508 /nfs/dbraw/zinc/84/95/08/442849508.db2.gz WFVNCYJTVXDVJL-DOTOQJQBSA-N 0 0 339.399 1.771 10 0 EDAERN C[C@H](CNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)N1CCOCC1 ZINC000182936219 442850938 /nfs/dbraw/zinc/85/09/38/442850938.db2.gz UURYEUREOOPRRB-INMHGKMJSA-N 0 0 332.448 1.895 10 0 EDAERN CN1CCCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 ZINC000194333439 442878841 /nfs/dbraw/zinc/87/88/41/442878841.db2.gz DIWVGCGQCFHAQG-BBRMVZONSA-N 0 0 328.478 1.349 10 0 EDAERN C[C@@H](NC(=O)NCC(=O)N1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000194428369 442895132 /nfs/dbraw/zinc/89/51/32/442895132.db2.gz JXFDOOWTEGTABM-CJNGLKHVSA-N 0 0 331.416 1.833 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)[C@H](C)CCCOC)CC2)n1 ZINC000182740449 318511851 /nfs/dbraw/zinc/51/18/51/318511851.db2.gz QTKQMRRZGXZDPK-ZIAGYGMSSA-N 0 0 338.452 1.900 10 0 EDAERN Cc1nc(CN(C)C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)no1 ZINC000183346601 442923552 /nfs/dbraw/zinc/92/35/52/442923552.db2.gz XJPZIQSQOXKYRZ-RHSMWYFYSA-N 0 0 342.399 1.946 10 0 EDAERN CC(=O)N[C@H](CC(=O)NC[C@@H]1CN(C)CCO1)c1ccc(C)cc1 ZINC000194616156 442925015 /nfs/dbraw/zinc/92/50/15/442925015.db2.gz QFRXWNAEHPTAMU-IAGOWNOFSA-N 0 0 333.432 1.009 10 0 EDAERN C[C@@H](NC(=O)Nc1nccn(C)c1=O)c1cccc(-n2ccnc2)c1 ZINC000183888134 318529605 /nfs/dbraw/zinc/52/96/05/318529605.db2.gz KODVOSGGXBBZIZ-GFCCVEGCSA-N 0 0 338.371 1.849 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc21 ZINC000194677679 442936180 /nfs/dbraw/zinc/93/61/80/442936180.db2.gz PEMFGRPDTUYLCS-GOEBONIOSA-N 0 0 336.457 1.647 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000183716942 442955613 /nfs/dbraw/zinc/95/56/13/442955613.db2.gz YZCQOXKEEGVVOD-NSHDSACASA-N 0 0 339.355 1.832 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)Cc1ccn(C)n1 ZINC000183722129 442956381 /nfs/dbraw/zinc/95/63/81/442956381.db2.gz KBLKBJFEMGEKKD-OAHLLOKOSA-N 0 0 348.472 1.556 10 0 EDAERN O=C(NCCOc1cccc(Br)c1)[C@H]1CNC(=O)C1 ZINC000194819584 442958568 /nfs/dbraw/zinc/95/85/68/442958568.db2.gz QGWTWMUSFGQINJ-SECBINFHSA-N 0 0 327.178 1.080 10 0 EDAERN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CNC(=O)C1 ZINC000194827038 442958926 /nfs/dbraw/zinc/95/89/26/442958926.db2.gz VVLYSETXONZMFM-GFCCVEGCSA-N 0 0 329.331 1.765 10 0 EDAERN COc1ccc(COCCCC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189457995 442959514 /nfs/dbraw/zinc/95/95/14/442959514.db2.gz IYUJBKBUDJSGNK-UHFFFAOYSA-N 0 0 346.427 1.729 10 0 EDAERN CCCC(=O)Nc1cccc(CNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000189827533 318567291 /nfs/dbraw/zinc/56/72/91/318567291.db2.gz WWRBCWPOJBMYGZ-UHFFFAOYSA-N 0 0 332.404 1.455 10 0 EDAERN COCCO[C@H]1CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000189515341 442970746 /nfs/dbraw/zinc/97/07/46/442970746.db2.gz GZDUQHTYOIVDDL-HOCLYGCPSA-N 0 0 328.453 1.437 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)CC2 ZINC000195289246 443005284 /nfs/dbraw/zinc/00/52/84/443005284.db2.gz XUQBPLLFUQVAOW-RZFZLAGVSA-N 0 0 346.456 1.884 10 0 EDAERN CCNC(=O)C1CN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000184252251 443005973 /nfs/dbraw/zinc/00/59/73/443005973.db2.gz MUEWKPQOOYSGKC-CYBMUJFWSA-N 0 0 343.349 1.938 10 0 EDAERN NC(=O)NC(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184253424 443006097 /nfs/dbraw/zinc/00/60/97/443006097.db2.gz XTMMQCNEBXBRMK-JTQLQIEISA-N 0 0 346.309 1.044 10 0 EDAERN CC[C@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000251533527 443015011 /nfs/dbraw/zinc/01/50/11/443015011.db2.gz ALMLFKVJFFKHTN-FZMZJTMJSA-N 0 0 346.383 1.987 10 0 EDAERN CCCCN(C)S(=O)(=O)N[C@H](CC(=O)OC)c1ccccc1 ZINC000195416257 443016275 /nfs/dbraw/zinc/01/62/75/443016275.db2.gz ONPYYYNSQGFUCP-CQSZACIVSA-N 0 0 328.434 1.857 10 0 EDAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000189835897 443018200 /nfs/dbraw/zinc/01/82/00/443018200.db2.gz UCFRRIMBSFWANL-ACJLOTCBSA-N 0 0 346.431 1.714 10 0 EDAERN C[C@H](C[S@](C)=O)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000184447146 443022430 /nfs/dbraw/zinc/02/24/30/443022430.db2.gz KSYCMCRFOONQPR-ZSDNHXBWSA-N 0 0 332.466 1.469 10 0 EDAERN CCCCCS(=O)(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000184479986 443027526 /nfs/dbraw/zinc/02/75/26/443027526.db2.gz UELBUCMGUDTZIS-UHFFFAOYSA-N 0 0 342.465 1.517 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cnc(NC)s2)C12CCOCC2 ZINC000184494419 443029193 /nfs/dbraw/zinc/02/91/93/443029193.db2.gz QMTLYHJYZALIFL-VXGBXAGGSA-N 0 0 325.434 1.889 10 0 EDAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000189929127 443030706 /nfs/dbraw/zinc/03/07/06/443030706.db2.gz XOUIWGOQZYWVHS-GFCCVEGCSA-N 0 0 341.205 1.679 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1Cc1cnc(N2CCOCC2)s1 ZINC000189986706 443043643 /nfs/dbraw/zinc/04/36/43/443043643.db2.gz PJKIUXYUKNPYQU-OAHLLOKOSA-N 0 0 325.434 1.507 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N(C)Cc1cnn(C)c1 ZINC000249743961 443003109 /nfs/dbraw/zinc/00/31/09/443003109.db2.gz YXOIAOJHNHDRFK-OAGGEKHMSA-N 0 0 348.447 1.185 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1 ZINC000224173252 443096794 /nfs/dbraw/zinc/09/67/94/443096794.db2.gz UKASFXRTPIJMEP-UHFFFAOYSA-N 0 0 348.428 1.100 10 0 EDAERN CCc1ccc(C(=O)NCc2nccc(N3CCOCC3)n2)cc1 ZINC000224169879 443096831 /nfs/dbraw/zinc/09/68/31/443096831.db2.gz YOLROWALXVOBOJ-UHFFFAOYSA-N 0 0 326.400 1.806 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC(C)(CO)CC1)CC2 ZINC000184738025 443069862 /nfs/dbraw/zinc/06/98/62/443069862.db2.gz BPOQFZYMUCYFJR-ZDUSSCGKSA-N 0 0 335.452 1.520 10 0 EDAERN O=C(Nc1cnccn1)[C@@H]1CCC[C@H](C(=O)Nc2cnccn2)C1 ZINC000184841382 443084896 /nfs/dbraw/zinc/08/48/96/443084896.db2.gz IPUAHEXQAHIUFE-TXEJJXNPSA-N 0 0 326.360 1.650 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000190428721 443106483 /nfs/dbraw/zinc/10/64/83/443106483.db2.gz BXIZFUVOLIKECI-GFCCVEGCSA-N 0 0 343.391 1.021 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)C1 ZINC000190451281 443111821 /nfs/dbraw/zinc/11/18/21/443111821.db2.gz YLQUHCZULQAXPG-INIZCTEOSA-N 0 0 331.416 1.096 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H](C)c2ccc(Br)cc2)C1 ZINC000190479844 443117116 /nfs/dbraw/zinc/11/71/16/443117116.db2.gz FVYZNZIDYHVOMJ-SECBINFHSA-N 0 0 325.206 1.900 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc3ccn(C)c32)C1 ZINC000190482895 443117434 /nfs/dbraw/zinc/11/74/34/443117434.db2.gz ZSAAZKXGBCBXCG-AWEZNQCLSA-N 0 0 342.399 1.244 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC000190499291 443121128 /nfs/dbraw/zinc/12/11/28/443121128.db2.gz GTNKNQDZJLZZLF-INIZCTEOSA-N 0 0 343.427 1.194 10 0 EDAERN CC(=O)NC1CN(C(=O)CCc2cc(Br)cs2)C1 ZINC000190528756 443129176 /nfs/dbraw/zinc/12/91/76/443129176.db2.gz MCWPKQDLAZTSDP-UHFFFAOYSA-N 0 0 331.235 1.790 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2ccccc2Cl)C1 ZINC000185226073 443165421 /nfs/dbraw/zinc/16/54/21/443165421.db2.gz UYNRBVRDTYAODL-JTQLQIEISA-N 0 0 326.780 1.081 10 0 EDAERN COC[C@@H](C)CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190715318 443169603 /nfs/dbraw/zinc/16/96/03/443169603.db2.gz WMYQJCSURCBHBJ-DOTOQJQBSA-N 0 0 334.464 1.827 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3nnn(C)c3c2)C[C@@H]1C ZINC000185252288 443170458 /nfs/dbraw/zinc/17/04/58/443170458.db2.gz FTTVCAGMPWODAD-ZDUSSCGKSA-N 0 0 331.420 1.151 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2nc(-c3ccsc3)oc2C)C1 ZINC000185264894 443172533 /nfs/dbraw/zinc/17/25/33/443172533.db2.gz HYCOGCMSTOLJCK-UHFFFAOYSA-N 0 0 349.412 1.227 10 0 EDAERN CCn1cc([C@@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)cn1 ZINC000190736014 443172733 /nfs/dbraw/zinc/17/27/33/443172733.db2.gz QGYKXLFHJQQSCE-OALUTQOASA-N 0 0 345.443 1.854 10 0 EDAERN CN(C)c1noc(CN2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000185267941 443173160 /nfs/dbraw/zinc/17/31/60/443173160.db2.gz WCFTXAZOZINJEC-LLVKDONJSA-N 0 0 325.413 1.625 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000190740728 443174740 /nfs/dbraw/zinc/17/47/40/443174740.db2.gz ZQSWKHMUYZQFBW-IFXJQAMLSA-N 0 0 330.428 1.987 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCCCOc2cccc(C)c2)C1 ZINC000185301818 443178816 /nfs/dbraw/zinc/17/88/16/443178816.db2.gz HYGJGHWSXMMEMI-UHFFFAOYSA-N 0 0 334.416 1.518 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000185371412 443190401 /nfs/dbraw/zinc/19/04/01/443190401.db2.gz AWHPNQDJIDVULA-QGZVFWFLSA-N 0 0 349.406 1.823 10 0 EDAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N[C@H](c1ccccc1)C1CCCC1 ZINC000185151360 443148884 /nfs/dbraw/zinc/14/88/84/443148884.db2.gz LNRUGWARAXLZEI-ZHALLVOQSA-N 0 0 332.444 1.462 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](c2ccccc2C)C(C)C)C1 ZINC000185420355 443197639 /nfs/dbraw/zinc/19/76/39/443197639.db2.gz CQZPQGQIOYJLID-KRWDZBQOSA-N 0 0 333.432 1.849 10 0 EDAERN CC(C)=CCNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000190654384 443158652 /nfs/dbraw/zinc/15/86/52/443158652.db2.gz BNFVUZFYCJCPDC-KRWDZBQOSA-N 0 0 347.459 1.720 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000190671462 443161607 /nfs/dbraw/zinc/16/16/07/443161607.db2.gz VNXFPKVQPGGDQM-QMMMGPOBSA-N 0 0 327.743 1.155 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N2CCC(C)(CO)CC2)C12CCOCC2 ZINC000185698619 443240387 /nfs/dbraw/zinc/24/03/87/443240387.db2.gz STDXWUSSUNLTJB-CABCVRRESA-N 0 0 340.464 1.765 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000185743829 443248467 /nfs/dbraw/zinc/24/84/67/443248467.db2.gz REDXKIWWALUDIQ-PXAZEXFGSA-N 0 0 331.416 1.466 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000191344538 443282104 /nfs/dbraw/zinc/28/21/04/443282104.db2.gz CRZFMJPVDKNFNS-UHFFFAOYSA-N 0 0 330.171 1.279 10 0 EDAERN Cc1c([C@H]2[C@H](NCc3noc(CC(C)C)n3)CC(=O)N2C)cnn1C ZINC000328638409 444407608 /nfs/dbraw/zinc/40/76/08/444407608.db2.gz WITHDRXDUVSZBD-DYVFJYSZSA-N 0 0 346.435 1.372 10 0 EDAERN CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1cnn(C)c1 ZINC000328616981 444395467 /nfs/dbraw/zinc/39/54/67/444395467.db2.gz CFKQTKJWKIEJLM-JTQLQIEISA-N 0 0 341.337 1.970 10 0 EDAERN COC(=O)Cc1cc(I)c(N)c([N+](=O)[O-])c1 ZINC000575639739 447879471 /nfs/dbraw/zinc/87/94/71/447879471.db2.gz KTANQBKMGYPMSC-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CSc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)cn1 ZINC000583615618 448441438 /nfs/dbraw/zinc/44/14/38/448441438.db2.gz QQZRBUIJPUIRHJ-SNVBAGLBSA-N 0 0 345.428 1.091 10 0 EDAERN CN1CCO[C@@H](CNc2ccnc(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000583617504 448445765 /nfs/dbraw/zinc/44/57/65/448445765.db2.gz GPGPZURDTTUKQX-IRXDYDNUSA-N 0 0 326.400 1.086 10 0 EDAERN O[C@@]1(c2cn[nH]n2)CCCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000583617895 448446483 /nfs/dbraw/zinc/44/64/83/448446483.db2.gz GUVVOTPUXAXVRF-ZDUSSCGKSA-N 0 0 328.203 1.990 10 0 EDAERN O[C@]1(c2cn[nH]n2)CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000583617906 448446791 /nfs/dbraw/zinc/44/67/91/448446791.db2.gz IKYYUVNYNRNJPN-QGZVFWFLSA-N 0 0 342.378 1.613 10 0 EDAERN CN(C)[C@@H](C(=O)N1CCO[C@@H](c2nncn2C)C1)c1ccccc1 ZINC000583621759 448453351 /nfs/dbraw/zinc/45/33/51/448453351.db2.gz KFCHPRDEHCYYOE-HUUCEWRRSA-N 0 0 329.404 1.018 10 0 EDAERN Cc1cc(F)c(S(=O)(=O)NCC(C)(C)O)cc1Br ZINC000584596535 448582485 /nfs/dbraw/zinc/58/24/85/448582485.db2.gz RNXYNRDLILIUOO-UHFFFAOYSA-N 0 0 340.214 1.946 10 0 EDAERN COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cc1C(=O)[O-] ZINC000584646761 448588974 /nfs/dbraw/zinc/58/89/74/448588974.db2.gz ZYCDVJAXUHSPGD-UHFFFAOYSA-N 0 0 337.376 1.846 10 0 EDAERN Cc1cc(C)n(C2CN(C(=O)CNC(=O)c3ccc(F)cc3)C2)n1 ZINC000604267507 449199402 /nfs/dbraw/zinc/19/94/02/449199402.db2.gz YEVIHGPFJRONSS-UHFFFAOYSA-N 0 0 330.363 1.452 10 0 EDAERN NC(=O)c1ccccc1[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000616611215 450455200 /nfs/dbraw/zinc/45/52/00/450455200.db2.gz OXUBFBVZFFMBSC-ZDUSSCGKSA-N 0 0 330.409 1.964 10 0 EDAERN Nc1cccc([C@H]2COCCCN2S(=O)(=O)c2ccccc2)n1 ZINC000616647796 450457590 /nfs/dbraw/zinc/45/75/90/450457590.db2.gz JAFQUXHJZADUEP-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2cccc3ccnnc32)Cc2ccccc21 ZINC000616667982 450458733 /nfs/dbraw/zinc/45/87/33/450458733.db2.gz GTYCWHZJPXBTLR-CQSZACIVSA-N 0 0 340.408 1.980 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616690103 450460419 /nfs/dbraw/zinc/46/04/19/450460419.db2.gz AJZFVRHUDNYSGB-JTQLQIEISA-N 0 0 342.421 1.015 10 0 EDAERN O=C(CCCOc1cccc(F)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000630016429 450955818 /nfs/dbraw/zinc/95/58/18/450955818.db2.gz XXCGBLOIQFFFCM-HUUCEWRRSA-N 0 0 334.351 1.021 10 0 EDAERN O=C(CCOc1cccc(Br)c1)N[C@@H]1CCOC[C@@H]1O ZINC000629220080 451601100 /nfs/dbraw/zinc/60/11/00/451601100.db2.gz KTTHJNSSUCMUHL-OLZOCXBDSA-N 0 0 344.205 1.484 10 0 EDAERN O=C(N[C@H]1CCOC[C@H]1O)C1(c2ccc(Br)cc2)CC1 ZINC000629224388 451602225 /nfs/dbraw/zinc/60/22/25/451602225.db2.gz LICTYMFGSOUSLN-QWHCGFSZSA-N 0 0 340.217 1.747 10 0 EDAERN O=C(N[C@H]1CCOC[C@@H]1O)C1(c2ccc(Br)cc2)CC1 ZINC000629224389 451602261 /nfs/dbraw/zinc/60/22/61/451602261.db2.gz LICTYMFGSOUSLN-STQMWFEESA-N 0 0 340.217 1.747 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc(C)c(Br)cn1 ZINC000664269582 452951963 /nfs/dbraw/zinc/95/19/63/452951963.db2.gz QIZSSEGDNDHKOY-ZJUUUORDSA-N 0 0 335.223 1.376 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(Cc2cccnc2)CC1 ZINC000644417249 453430272 /nfs/dbraw/zinc/43/02/72/453430272.db2.gz QCLLKKHBZHLEPT-QGZVFWFLSA-N 0 0 345.443 1.236 10 0 EDAERN C[C@@H]1CN(Cc2ccccc2)C[C@H](c2nc(-c3nc[nH]n3)no2)O1 ZINC000656749792 453434471 /nfs/dbraw/zinc/43/44/71/453434471.db2.gz WXKMFDIIFOHWJW-DGCLKSJQSA-N 0 0 326.360 1.817 10 0 EDAERN C[C@@H](C(=O)N1CCOC[C@@H]1C1CC1)N1C(=O)c2ccccc2C1=O ZINC000091424090 491199890 /nfs/dbraw/zinc/19/98/90/491199890.db2.gz NKAMDCJQTHATQV-XHDPSFHLSA-N 0 0 328.368 1.309 10 0 EDAERN O[C@@H](COc1ccccc1)CN1CCN(Cc2cncnc2)CC1 ZINC000122673121 491001029 /nfs/dbraw/zinc/00/10/29/491001029.db2.gz MRWWDCSKYGETHO-QGZVFWFLSA-N 0 0 328.416 1.034 10 0 EDAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1cccc(F)c1 ZINC000187315736 534086757 /nfs/dbraw/zinc/08/67/57/534086757.db2.gz CSHOPUSVYUALRG-LLVKDONJSA-N 0 0 335.379 1.513 10 0 EDAERN C[C@@H]1NC(=O)CN(Cc2cc(Br)cc3c2OCC3)C1=O ZINC000167855509 534102035 /nfs/dbraw/zinc/10/20/35/534102035.db2.gz NSJNFDSUZNJVCU-QMMMGPOBSA-N 0 0 339.189 1.231 10 0 EDAERN COC(=O)c1cccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000173852228 534255765 /nfs/dbraw/zinc/25/57/65/534255765.db2.gz WEQSWJHOZLYLNZ-BBRMVZONSA-N 0 0 332.400 1.266 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000079613962 534576085 /nfs/dbraw/zinc/57/60/85/534576085.db2.gz ACCYDVZANHEEAB-CQSZACIVSA-N 0 0 342.399 1.025 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCn1ccnc1 ZINC000187129043 526426096 /nfs/dbraw/zinc/42/60/96/526426096.db2.gz STBWMOVDVBTAAT-NWDGAFQWSA-N 0 0 326.372 1.347 10 0 EDAERN CC(=O)Nc1cccc2c1CCN(C(=O)NCCn1cc(C)cn1)C2 ZINC000172291854 527085765 /nfs/dbraw/zinc/08/57/65/527085765.db2.gz WTPYPVBQEKHMBL-UHFFFAOYSA-N 0 0 341.415 1.918 10 0 EDAERN CC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168877564 527759026 /nfs/dbraw/zinc/75/90/26/527759026.db2.gz CCOYWQUQEFZVTC-CABZTGNLSA-N 0 0 340.221 1.716 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2nccn(C)c2=O)C12CCCC2 ZINC000183856464 527897453 /nfs/dbraw/zinc/89/74/53/527897453.db2.gz VORQNZBTYPGSPA-QWHCGFSZSA-N 0 0 334.420 1.982 10 0 EDAERN CC(C)c1cccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174000680 528185939 /nfs/dbraw/zinc/18/59/39/528185939.db2.gz SKGCELJJKUICBU-INIZCTEOSA-N 0 0 338.473 1.905 10 0 EDAERN CC(C)c1csc([C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC000179517436 528239915 /nfs/dbraw/zinc/23/99/15/528239915.db2.gz QEBIDLQQBOPIDU-GFCCVEGCSA-N 0 0 349.460 1.568 10 0 EDAERN CCCN1CCO[C@@H](c2nsc(I)n2)C1 ZINC000166104707 528248294 /nfs/dbraw/zinc/24/82/94/528248294.db2.gz FJQMPVYGGACLPD-SSDOTTSWSA-N 0 0 339.202 1.926 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N(C)C1CCC(C)CC1 ZINC000176570918 528702165 /nfs/dbraw/zinc/70/21/65/528702165.db2.gz CGYCDALRBCOXRJ-RKLPPVLTSA-N 0 0 341.481 1.540 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N[C@H](C)c1cccs1 ZINC000176572637 528703601 /nfs/dbraw/zinc/70/36/01/528703601.db2.gz GRYJCGKAHQCBGP-ZQJOYCHOSA-N 0 0 341.462 1.442 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000181858748 529226655 /nfs/dbraw/zinc/22/66/55/529226655.db2.gz GWXVYNWLZZTEHW-DLBZAZTESA-N 0 0 349.475 1.860 10 0 EDAERN CCOCCN1CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC000247064087 535606209 /nfs/dbraw/zinc/60/62/09/535606209.db2.gz GBISIQHBFCPURP-KGLIPLIRSA-N 0 0 342.484 1.042 10 0 EDAERN C[NH+](C)CCOc1ccc(CCNc2cnc(C(=O)[O-])cn2)cc1 ZINC000263435075 535904305 /nfs/dbraw/zinc/90/43/05/535904305.db2.gz UYDYALKGQSEMGS-UHFFFAOYSA-N 0 0 330.388 1.770 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cccc(Oc2cnccn2)c1)C(C)C ZINC000178709863 536381075 /nfs/dbraw/zinc/38/10/75/536381075.db2.gz NCNZHFMQDYJJAX-OAHLLOKOSA-N 0 0 328.372 1.769 10 0 EDAERN CN[C@H](C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 ZINC000262195227 536383745 /nfs/dbraw/zinc/38/37/45/536383745.db2.gz MMGWVBCCXWCFKA-IRXDYDNUSA-N 0 0 344.459 1.828 10 0 EDAERN COC(=O)CNC(=O)c1ccc(NCc2nnc(C3CC3)n2C)cc1 ZINC000194985725 536475549 /nfs/dbraw/zinc/47/55/49/536475549.db2.gz QGBXATVDATVDNI-UHFFFAOYSA-N 0 0 343.387 1.207 10 0 EDAERN COc1ccc(/C=C(\C)C(=O)N2CC(NC(=O)C3CC3)C2)cc1F ZINC000189493596 536571376 /nfs/dbraw/zinc/57/13/76/536571376.db2.gz OCOVTIXJFWUAMG-YRNVUSSQSA-N 0 0 332.375 1.975 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)Oc2ccccc2)C[C@@H]1C ZINC000246993440 536869976 /nfs/dbraw/zinc/86/99/76/536869976.db2.gz GGZIQYJARXOGLV-HOTGVXAUSA-N 0 0 335.448 1.816 10 0 EDAERN COc1ccccc1C[C@@H]1CCCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000246554040 537052412 /nfs/dbraw/zinc/05/24/12/537052412.db2.gz YMXKWBVLADKVON-IRXDYDNUSA-N 0 0 347.459 1.742 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@]2(CCO[C@@H]2CS(N)(=O)=O)C1 ZINC000757206555 579965702 /nfs/dbraw/zinc/96/57/02/579965702.db2.gz BBHNIIDAZAXLBO-BXUZGUMPSA-N 0 0 334.438 1.081 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)N2CC(=O)Nc3c(F)cccc32)C1=O ZINC000888076092 590929682 /nfs/dbraw/zinc/92/96/82/590929682.db2.gz XXPPOGRCPKLAMG-CYBMUJFWSA-N 0 0 349.362 1.138 10 0 EDAERN COCCOc1cncc(-c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)c1 ZINC000888078943 590935568 /nfs/dbraw/zinc/93/55/68/590935568.db2.gz LNFKZESYASSWOB-BXUZGUMPSA-N 0 0 334.376 1.548 10 0 EDAERN CN(C)c1noc(CN[C@H]2CCO[C@@H]2c2ccnn2CC2CC2)n1 ZINC000888078448 590935749 /nfs/dbraw/zinc/93/57/49/590935749.db2.gz SADFVTUONQTJOL-WFASDCNBSA-N 0 0 332.408 1.362 10 0 EDAERN O=C(NC[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O)c1cc2ccccn2c1 ZINC000888094921 591024351 /nfs/dbraw/zinc/02/43/51/591024351.db2.gz HCQXZVKDUNCCRZ-XUJVJEKNSA-N 0 0 325.372 1.342 10 0 EDAERN Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)ccn1C ZINC000888099386 591029208 /nfs/dbraw/zinc/02/92/08/591029208.db2.gz WVPJEJRJAXYGHX-UKRRQHHQSA-N 0 0 345.447 1.297 10 0 EDAERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1[nH]ncc1C(F)(F)F ZINC000888099443 591029576 /nfs/dbraw/zinc/02/95/76/591029576.db2.gz ZYHVUHKFDWDHCP-LDYMZIIASA-N 0 0 332.326 1.852 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)C[C@@H]1N1CCOCC1 ZINC000896731324 591595863 /nfs/dbraw/zinc/59/58/63/591595863.db2.gz XTQPFHMNOUUNQS-WFASDCNBSA-N 0 0 346.406 1.885 10 0 EDAERN Cn1cc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)c(C2CC2)n1 ZINC000899085695 591679095 /nfs/dbraw/zinc/67/90/95/591679095.db2.gz LMVADBOASMROFV-ZDUSSCGKSA-N 0 0 326.404 1.854 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)OCCN1CCCCC1=O)C(C)C ZINC000107028391 595463396 /nfs/dbraw/zinc/46/33/96/595463396.db2.gz QHWITWUNSSHFNJ-MRXNPFEDSA-N 0 0 326.437 1.729 10 0 EDAERN C[C@@H](C(=O)NC(C)(C)C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820450 595466899 /nfs/dbraw/zinc/46/68/99/595466899.db2.gz YDGKMEGFNRGWJM-RDJZCZTQSA-N 0 0 333.476 1.641 10 0 EDAERN C[C@@H](C(=O)NC(C)(C)C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820453 595467163 /nfs/dbraw/zinc/46/71/63/595467163.db2.gz YDGKMEGFNRGWJM-DOTOQJQBSA-N 0 0 333.476 1.641 10 0 EDAERN COCCN1CCN(C(=O)c2cccnc2-n2cccn2)C[C@@H]1C ZINC000117284716 595614881 /nfs/dbraw/zinc/61/48/81/595614881.db2.gz FNNACRHYZYSIQC-AWEZNQCLSA-N 0 0 329.404 1.060 10 0 EDAERN COCCN1CCN(C(=O)COc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000117288079 595615553 /nfs/dbraw/zinc/61/55/53/595615553.db2.gz DZQPWXNUXXVGCT-HNNXBMFYSA-N 0 0 332.444 1.733 10 0 EDAERN Cn1cc([C@H]2[C@H](C(=O)OCCOC(C)(C)C)CCC(=O)N2C)cn1 ZINC000115737944 595667461 /nfs/dbraw/zinc/66/74/61/595667461.db2.gz FKHVFUWWYFQZKH-HIFRSBDPSA-N 0 0 337.420 1.688 10 0 EDAERN Cn1cc([C@H]2CCN(Cn3nc(-c4cccs4)oc3=O)C2)cn1 ZINC000116258783 595862830 /nfs/dbraw/zinc/86/28/30/595862830.db2.gz SJFCYTNEYYVJAO-NSHDSACASA-N 0 0 331.401 1.745 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cn3ncc4ccccc4c3=O)CCO2)c1 ZINC000112072036 596016457 /nfs/dbraw/zinc/01/64/57/596016457.db2.gz NTUNHPFUYVGAIU-MRXNPFEDSA-N 0 0 339.399 1.260 10 0 EDAERN CCCn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000122930559 596749610 /nfs/dbraw/zinc/74/96/10/596749610.db2.gz LJWHZLGDLHXTCQ-CXAGYDPISA-N 0 0 334.420 1.385 10 0 EDAERN Cc1nc(C(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)no1 ZINC000124190262 597012972 /nfs/dbraw/zinc/01/29/72/597012972.db2.gz MBGGQBUSKGRJNK-GFCCVEGCSA-N 0 0 336.417 1.585 10 0 EDAERN C[C@H](NC(=O)Nc1ccc(F)nc1)c1ccc(S(N)(=O)=O)cc1 ZINC000126222047 597372297 /nfs/dbraw/zinc/37/22/97/597372297.db2.gz GWJPNGPVJDOCLI-VIFPVBQESA-N 0 0 338.364 1.751 10 0 EDAERN CN(Cc1ccccc1Cl)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126566375 597532339 /nfs/dbraw/zinc/53/23/39/597532339.db2.gz SWYOOVQDQLZNPT-GFCCVEGCSA-N 0 0 330.837 1.075 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)OCCc1c(C)nn(C)c1C ZINC000127631067 597873619 /nfs/dbraw/zinc/87/36/19/597873619.db2.gz QTMFJTGBBFDFTG-CQSZACIVSA-N 0 0 325.409 1.893 10 0 EDAERN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)[C@H]1CCOC1 ZINC000175238872 697708783 /nfs/dbraw/zinc/70/87/83/697708783.db2.gz UWLVCKJTYARQGD-IMJJTQAJSA-N 0 0 332.400 1.902 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCC2(CO)CCC2)C1 ZINC000183226909 701551976 /nfs/dbraw/zinc/55/19/76/701551976.db2.gz GTMFDCHFZDSCNZ-QWHCGFSZSA-N 0 0 326.437 1.959 10 0 EDAERN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000183822475 702673089 /nfs/dbraw/zinc/67/30/89/702673089.db2.gz OKZVDJJUPFZOQP-UONOGXRCSA-N 0 0 338.448 1.683 10 0 EDAERN COc1cccc([C@@H]2CC(=O)N(CN3CCC[C@H](NC(C)=O)C3)C2)c1 ZINC000185649054 704735935 /nfs/dbraw/zinc/73/59/35/704735935.db2.gz WPAXXKGEBLKEHV-SJORKVTESA-N 0 0 345.443 1.569 10 0 EDAERN CCCCC[C@@H](C)NC(=O)CS(=O)(=O)Cc1nnc(C)n1CC ZINC000091049947 705899693 /nfs/dbraw/zinc/89/96/93/705899693.db2.gz JQEMDZCZAFGKAM-GFCCVEGCSA-N 0 0 344.481 1.606 10 0 EDAERN CO[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000050373816 214054862 /nfs/dbraw/zinc/05/48/62/214054862.db2.gz WELSDJWPGUIEIS-VHSXEESVSA-N 0 0 329.809 1.834 10 0 EDAERN O=S1(=O)CCN(CC[C@H](O)c2ccccc2Br)CC1 ZINC000054024568 214211161 /nfs/dbraw/zinc/21/11/61/214211161.db2.gz NATLWDVHVRZJHV-ZDUSSCGKSA-N 0 0 348.262 1.603 10 0 EDAERN CC[C@H](C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000054492162 214241194 /nfs/dbraw/zinc/24/11/94/214241194.db2.gz AMUPVEMREQDRDH-JTQLQIEISA-N 0 0 334.463 1.456 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3F)CCO2)[nH]1 ZINC000173737169 231018702 /nfs/dbraw/zinc/01/87/02/231018702.db2.gz WJPZQXHPXCEMEI-JTQLQIEISA-N 0 0 344.343 1.154 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173950648 231079648 /nfs/dbraw/zinc/07/96/48/231079648.db2.gz UFKZSUJFQJLENI-DZGCQCFKSA-N 0 0 326.400 1.918 10 0 EDAERN O=S(=O)(c1cc(F)ccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000174000883 231095217 /nfs/dbraw/zinc/09/52/17/231095217.db2.gz CMPDTPAWCGTZOW-LBPRGKRZSA-N 0 0 332.372 1.060 10 0 EDAERN CC[C@@H](C)[C@@H]1C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168901963 529406142 /nfs/dbraw/zinc/40/61/42/529406142.db2.gz QKYBVPGULFFALI-NOZJJQNGSA-N 0 0 340.221 1.717 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3cn(C)nc3C(C)(C)C)CCO2)[nH]1 ZINC000183416529 529701622 /nfs/dbraw/zinc/70/16/22/529701622.db2.gz DOANEQUXFMHMOT-CYBMUJFWSA-N 0 0 332.452 1.972 10 0 EDAERN CCc1nnc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)[nH]1 ZINC000181691242 529735366 /nfs/dbraw/zinc/73/53/66/529735366.db2.gz FCJUWGMFNYODSB-ZDUSSCGKSA-N 0 0 335.477 1.934 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000187852445 530017093 /nfs/dbraw/zinc/01/70/93/530017093.db2.gz MNCJVYDWCLYLIV-RISCZKNCSA-N 0 0 325.434 1.077 10 0 EDAERN Nc1ccc(NC(=O)CN2CCC[C@@H](O)C2)c(Br)c1 ZINC000036798374 201794885 /nfs/dbraw/zinc/79/48/85/201794885.db2.gz MNGBJKWHMVIHKR-SNVBAGLBSA-N 0 0 328.210 1.427 10 0 EDAERN CC(C)NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000012024013 201821546 /nfs/dbraw/zinc/82/15/46/201821546.db2.gz NZLXYFZTFLFLJN-SECBINFHSA-N 0 0 344.820 1.791 10 0 EDAERN Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCSC3=O)CC2=O)c(C)c1 ZINC000015465752 201957181 /nfs/dbraw/zinc/95/71/81/201957181.db2.gz ZYGXTWSQBFOYDN-STQMWFEESA-N 0 0 332.425 1.805 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1C ZINC000017326273 201990286 /nfs/dbraw/zinc/99/02/86/201990286.db2.gz NKXHKVKPHMTTDS-TXEJJXNPSA-N 0 0 340.445 1.461 10 0 EDAERN COc1ccc([C@H](C)NC(=O)c2nc(C)c(C)[nH]c2=O)cc1OC ZINC000154554082 539871847 /nfs/dbraw/zinc/87/18/47/539871847.db2.gz OOUMVCIEVBARKU-NSHDSACASA-N 0 0 331.372 1.895 10 0 EDAERN COCc1noc([C@H](C)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000181848387 234349245 /nfs/dbraw/zinc/34/92/45/234349245.db2.gz IXWMNTLBRNEGTR-ZDUSSCGKSA-N 0 0 334.424 1.218 10 0 EDAERN COCCn1c(SCC(N)=O)nnc1-c1c[nH]c2ccccc21 ZINC000018153419 201993878 /nfs/dbraw/zinc/99/38/78/201993878.db2.gz GTYJDMMHABNCGD-UHFFFAOYSA-N 0 0 331.401 1.650 10 0 EDAERN C[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)[C@@H]1CCCO1 ZINC000037555775 202007471 /nfs/dbraw/zinc/00/74/71/202007471.db2.gz JHHWNSVGSNERRA-UWVGGRQHSA-N 0 0 329.809 1.834 10 0 EDAERN CCOC(=O)c1nn(C)c2c1CN(Cc1ccc(COC)o1)CC2 ZINC000019608429 202015098 /nfs/dbraw/zinc/01/50/98/202015098.db2.gz LFYRWJHTMFITGC-UHFFFAOYSA-N 0 0 333.388 1.895 10 0 EDAERN Cc1nc(C(=O)NC[C@H](O)CN2CCOCC2)c(-c2ccccc2)o1 ZINC000183338662 235016911 /nfs/dbraw/zinc/01/69/11/235016911.db2.gz CHSLJFBPEJFBAI-HNNXBMFYSA-N 0 0 345.399 1.073 10 0 EDAERN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000176964767 540102627 /nfs/dbraw/zinc/10/26/27/540102627.db2.gz HZCJIGZVMPJPCO-MRXNPFEDSA-N 0 0 338.473 1.788 10 0 EDAERN Cc1ccc([C@H](C)NCc2nc(CS(C)(=O)=O)no2)cc1F ZINC000181368880 540126865 /nfs/dbraw/zinc/12/68/65/540126865.db2.gz PHWRHRUOVPTVCZ-JTQLQIEISA-N 0 0 327.381 1.913 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000181221430 540126113 /nfs/dbraw/zinc/12/61/13/540126113.db2.gz OIQHCGJLIPMTRZ-OFQRWUPVSA-N 0 0 333.432 1.991 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000188941096 540161432 /nfs/dbraw/zinc/16/14/32/540161432.db2.gz NKRRMGOASGMQPK-VIFPVBQESA-N 0 0 348.266 1.434 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000189068823 540162902 /nfs/dbraw/zinc/16/29/02/540162902.db2.gz JSRXUBFJMBOZHM-NOVWEMISSA-N 0 0 330.428 1.681 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCCC2 ZINC000189122967 540163106 /nfs/dbraw/zinc/16/31/06/540163106.db2.gz FNYBMNUAWIEMIZ-KLHDSHLOSA-N 0 0 338.448 1.212 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000192786374 540180618 /nfs/dbraw/zinc/18/06/18/540180618.db2.gz NVEKQLOASOJPNB-KZNAEPCWSA-N 0 0 330.428 1.592 10 0 EDAERN CCCCOC[C@H](O)C[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000195219316 535316356 /nfs/dbraw/zinc/31/63/56/535316356.db2.gz LKKJFWGFMHSFRU-LLVKDONJSA-N 0 0 325.434 1.594 10 0 EDAERN CCN1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(C)cc3)C2)CC1 ZINC000020724655 202053451 /nfs/dbraw/zinc/05/34/51/202053451.db2.gz XDICQWFFBWVHJP-SFHVURJKSA-N 0 0 343.471 1.550 10 0 EDAERN CN(C1CCOCC1)S(=O)(=O)c1cc(Br)ccc1N ZINC000037929825 202065866 /nfs/dbraw/zinc/06/58/66/202065866.db2.gz KSUYONAXOZFXOA-UHFFFAOYSA-N 0 0 349.250 1.831 10 0 EDAERN COCC(=O)NC1CN(C(=O)NC[C@@H](C)Cc2cccs2)C1 ZINC000185528830 235687760 /nfs/dbraw/zinc/68/77/60/235687760.db2.gz CMFDOGYZRBWJOG-NSHDSACASA-N 0 0 325.434 1.083 10 0 EDAERN O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856668 138269465 /nfs/dbraw/zinc/26/94/65/138269465.db2.gz QTCRBVMCZOVCOZ-ZDUSSCGKSA-N 0 0 328.155 1.418 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1cccc(O)c1 ZINC000087250799 138271595 /nfs/dbraw/zinc/27/15/95/138271595.db2.gz UZDWXBADEJZDOQ-CQSZACIVSA-N 0 0 329.404 1.923 10 0 EDAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1-c1ccccc1Cl ZINC000091780622 138284974 /nfs/dbraw/zinc/28/49/74/138284974.db2.gz KQPCAWZRGBOYAU-AWEZNQCLSA-N 0 0 348.790 1.160 10 0 EDAERN Cc1ccc(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1O ZINC000089433335 138274130 /nfs/dbraw/zinc/27/41/30/138274130.db2.gz SOSUXYULUQJGPJ-GFCCVEGCSA-N 0 0 348.424 1.768 10 0 EDAERN CCc1nnc(CS(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@@H]2C)n1C ZINC000091049664 138281452 /nfs/dbraw/zinc/28/14/52/138281452.db2.gz SFRYCPQYNRQAPV-RYUDHWBXSA-N 0 0 342.465 1.082 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCCN3CCCC3=O)C2)no1 ZINC000103246688 138299134 /nfs/dbraw/zinc/29/91/34/138299134.db2.gz ZQWSLYKXKBLWAX-CQSZACIVSA-N 0 0 349.435 1.355 10 0 EDAERN CN(CC(F)(F)F)C(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105807187 138301667 /nfs/dbraw/zinc/30/16/67/138301667.db2.gz ZGKNNLYDAFVLKK-UHFFFAOYSA-N 0 0 345.369 1.398 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1 ZINC000117808371 138312454 /nfs/dbraw/zinc/31/24/54/138312454.db2.gz HWHDMUQMEQVQSM-HNNXBMFYSA-N 0 0 346.456 1.603 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000109843009 138306618 /nfs/dbraw/zinc/30/66/18/138306618.db2.gz JNASLVJVVIOANO-VHSXEESVSA-N 0 0 331.356 1.980 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cccc(N(C)C)c3)CC2)no1 ZINC000109922943 138306729 /nfs/dbraw/zinc/30/67/29/138306729.db2.gz IXKIWIYGAUNMDL-UHFFFAOYSA-N 0 0 343.431 1.792 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1OC)CC2 ZINC000114869117 138310681 /nfs/dbraw/zinc/31/06/81/138310681.db2.gz FQPRXQHISFRVPL-LBPRGKRZSA-N 0 0 330.388 1.359 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)CC2 ZINC000114874173 138310760 /nfs/dbraw/zinc/31/07/60/138310760.db2.gz HNFSTBKRDJDPGO-LLVKDONJSA-N 0 0 338.408 1.581 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(OC)n1)CC2 ZINC000114949671 138310937 /nfs/dbraw/zinc/31/09/37/138310937.db2.gz CWWADFAKBSUKHA-LBPRGKRZSA-N 0 0 330.392 1.058 10 0 EDAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC(c2cc[nH]n2)CC1 ZINC000124979939 138331197 /nfs/dbraw/zinc/33/11/97/138331197.db2.gz LRFDPKOJYUHOLO-UHFFFAOYSA-N 0 0 326.400 1.997 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1nc(-c2nccn2C)cs1)[C@@H]1CCCO1 ZINC000125501840 138334499 /nfs/dbraw/zinc/33/44/99/138334499.db2.gz WPXNVBQBGAZZKN-KOLCDFICSA-N 0 0 349.416 1.166 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCc3c4ccccc4[nH]c3C2)C1 ZINC000130230392 138340319 /nfs/dbraw/zinc/34/03/19/138340319.db2.gz HDTFELNVTLTSHC-ZDUSSCGKSA-N 0 0 328.416 1.566 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCOCC(F)(F)F)CC2 ZINC000133894402 138399472 /nfs/dbraw/zinc/39/94/72/138399472.db2.gz PJLPBGAICUCSOJ-JTQLQIEISA-N 0 0 334.342 1.802 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000133886034 138399517 /nfs/dbraw/zinc/39/95/17/138399517.db2.gz VDXDMZIEMRYVSB-ZDUSSCGKSA-N 0 0 342.399 1.804 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135799792 138428858 /nfs/dbraw/zinc/42/88/58/138428858.db2.gz GFBVUIILRMCSRB-OCCSQVGLSA-N 0 0 329.356 1.473 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)C1)C1CC1 ZINC000187770079 236295341 /nfs/dbraw/zinc/29/53/41/236295341.db2.gz JNPVNOIQWQBBOJ-OAHLLOKOSA-N 0 0 347.390 1.959 10 0 EDAERN Cn1cccc(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1=O ZINC000187888958 236328715 /nfs/dbraw/zinc/32/87/15/236328715.db2.gz WAYSDRYOYVQAMT-CMPLNLGQSA-N 0 0 339.367 1.671 10 0 EDAERN O=C(NC1CN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000187983511 236370246 /nfs/dbraw/zinc/37/02/46/236370246.db2.gz RGHCLSNAHWAIBB-OAHLLOKOSA-N 0 0 342.361 1.819 10 0 EDAERN Cc1cc(F)ccc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1NC(C)C ZINC000032536313 202226226 /nfs/dbraw/zinc/22/62/26/202226226.db2.gz HRWGRUYRHUCTCN-JSGCOSHPSA-N 0 0 349.449 1.071 10 0 EDAERN CNC(=O)Cn1c2sc(C)nc2c(-c2ccc(OC)cc2)nc1=O ZINC000032615799 202229346 /nfs/dbraw/zinc/22/93/46/202229346.db2.gz LILXTJGDXRSUPG-UHFFFAOYSA-N 0 0 344.396 1.583 10 0 EDAERN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)C[C@H](O)C(C)C)C1 ZINC000159181786 138635473 /nfs/dbraw/zinc/63/54/73/138635473.db2.gz HLRXPYQLZYHZJM-RYUDHWBXSA-N 0 0 326.466 1.700 10 0 EDAERN COC(=O)C[C@H](NC(=O)CCCNC(=O)C1CC1)c1ccccc1 ZINC000073897847 291151899 /nfs/dbraw/zinc/15/18/99/291151899.db2.gz BHAKUOLIXKCDDU-HNNXBMFYSA-N 0 0 332.400 1.713 10 0 EDAERN COCCOCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179116403 138749298 /nfs/dbraw/zinc/74/92/98/138749298.db2.gz QYYSZVAGQCGHBO-GDBMZVCRSA-N 0 0 338.379 1.124 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)CCc2ccc3c(c2)CCO3)c1 ZINC000189632791 237091302 /nfs/dbraw/zinc/09/13/02/237091302.db2.gz PQZAYBSJQYCOLQ-UHFFFAOYSA-N 0 0 335.429 1.289 10 0 EDAERN COCCN1CCN(C(=O)CCCc2csc(C)n2)C[C@H]1C ZINC000176623014 237348339 /nfs/dbraw/zinc/34/83/39/237348339.db2.gz ZTNSQBBTVONMKT-CYBMUJFWSA-N 0 0 325.478 1.953 10 0 EDAERN COc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1 ZINC000034107576 202272355 /nfs/dbraw/zinc/27/23/55/202272355.db2.gz NQLMGJCYNGGNSQ-ZROIWOOFSA-N 0 0 336.376 1.769 10 0 EDAERN COC(=O)[C@@H](CO)NC(=O)/C=C/c1ccccc1Br ZINC000035162655 202289877 /nfs/dbraw/zinc/28/98/77/202289877.db2.gz MULIOVVUXVBLKO-XUIVZRPNSA-N 0 0 328.162 1.112 10 0 EDAERN Cc1nc(N)sc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000069366920 202275696 /nfs/dbraw/zinc/27/56/96/202275696.db2.gz SNYFUDPVXOAORX-UHFFFAOYSA-N 0 0 327.387 1.241 10 0 EDAERN COCC(=O)N1C[C@@H](C(=O)NC2CC2)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034715213 202275999 /nfs/dbraw/zinc/27/59/99/202275999.db2.gz HLPLNRBNZSHAEA-CABCVRRESA-N 0 0 348.418 1.991 10 0 EDAERN O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000069869646 202296281 /nfs/dbraw/zinc/29/62/81/202296281.db2.gz OLTZLQWNVIHPTA-HOCLYGCPSA-N 0 0 325.372 1.959 10 0 EDAERN CCOC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000036096281 202314524 /nfs/dbraw/zinc/31/45/24/202314524.db2.gz FDNHYXSRMLJXAL-UHFFFAOYSA-N 0 0 339.351 1.786 10 0 EDAERN CCOC(=O)CCNS(=O)(=O)CCSc1cccc(N)c1 ZINC000070216724 202319470 /nfs/dbraw/zinc/31/94/70/202319470.db2.gz XAMHNZIMUYZZHW-UHFFFAOYSA-N 0 0 332.447 1.234 10 0 EDAERN CCOC(=O)c1nc2ccc(N)cn2c1CN1C[C@@H](C)O[C@H](C)C1 ZINC000036277657 202320371 /nfs/dbraw/zinc/32/03/71/202320371.db2.gz NIPFGICEERHJKH-VXGBXAGGSA-N 0 0 332.404 1.702 10 0 EDAERN [NH3+][C@@H]1C[C@@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000036264722 202320728 /nfs/dbraw/zinc/32/07/28/202320728.db2.gz QOCUJIRAPDTRCS-SFYZADRCSA-N 0 0 327.150 1.105 10 0 EDAERN Nc1n[nH]cc1C(=O)Nc1cccc(I)c1 ZINC000036939840 202333898 /nfs/dbraw/zinc/33/38/98/202333898.db2.gz NRTOPAYGCZESBL-UHFFFAOYSA-N 0 0 328.113 1.849 10 0 EDAERN CCc1nc(S(=O)(=O)NC2(C(N)=S)CCCCCC2)c[nH]1 ZINC000070419514 202333971 /nfs/dbraw/zinc/33/39/71/202333971.db2.gz QWOLTUXLDGQCSC-UHFFFAOYSA-N 0 0 330.479 1.630 10 0 EDAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](C)CSC)cc1 ZINC000070303185 202332050 /nfs/dbraw/zinc/33/20/50/202332050.db2.gz XMMBETOPCPCMJR-LLVKDONJSA-N 0 0 331.459 1.680 10 0 EDAERN C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000071392338 202349371 /nfs/dbraw/zinc/34/93/71/202349371.db2.gz RXTVZYTTZGGMOA-APPZFPTMSA-N 0 0 327.178 1.941 10 0 EDAERN Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000071394770 202349712 /nfs/dbraw/zinc/34/97/12/202349712.db2.gz IFSCQHBJUXOACD-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN CN(Cc1nnc2n1CCC2)S(=O)(=O)c1cnccc1Cl ZINC000071204144 202340363 /nfs/dbraw/zinc/34/03/63/202340363.db2.gz KIQVGMBUHXJMLG-UHFFFAOYSA-N 0 0 327.797 1.093 10 0 EDAERN COCCN(CCC(N)=S)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000071225217 202342870 /nfs/dbraw/zinc/34/28/70/202342870.db2.gz PDJFEFIZQXPCSZ-UHFFFAOYSA-N 0 0 330.475 1.617 10 0 EDAERN CC(C)CNC(=S)NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000040901879 202468031 /nfs/dbraw/zinc/46/80/31/202468031.db2.gz PXBREQVLEBIDRX-UHFFFAOYSA-N 0 0 333.413 1.319 10 0 EDAERN CCC[C@H](CC(=O)NCCS(=O)(=O)NC)c1ccc(F)cc1 ZINC000041315584 202480892 /nfs/dbraw/zinc/48/08/92/202480892.db2.gz IDLZKZZMERFOQM-CYBMUJFWSA-N 0 0 330.425 1.765 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190156906 238256539 /nfs/dbraw/zinc/25/65/39/238256539.db2.gz PLBLRVXPFLLJGR-LBPRGKRZSA-N 0 0 331.376 1.961 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CO)Cc1cccc(C)c1 ZINC000190243122 238326549 /nfs/dbraw/zinc/32/65/49/238326549.db2.gz TVWOVZLLZCEGHS-HOTGVXAUSA-N 0 0 343.431 1.633 10 0 EDAERN CCNC(=O)CCCC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186457476 138816714 /nfs/dbraw/zinc/81/67/14/138816714.db2.gz JLUMRGFRWCDLPI-UONOGXRCSA-N 0 0 326.437 1.383 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)CC2 ZINC000114867019 201071622 /nfs/dbraw/zinc/07/16/22/201071622.db2.gz VAGGWCSAGMNZSV-LLVKDONJSA-N 0 0 336.827 1.438 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)cc1C)CC2 ZINC000114874584 201071681 /nfs/dbraw/zinc/07/16/81/201071681.db2.gz PBRUCVZTQLNZBV-GFCCVEGCSA-N 0 0 338.408 1.581 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc3c1OCCO3)CC2 ZINC000114872893 201071988 /nfs/dbraw/zinc/07/19/88/201071988.db2.gz FBPBPRPWEVDXLF-LLVKDONJSA-N 0 0 328.372 1.357 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)n(C(C)(C)C)n1)CC2 ZINC000114865539 201072186 /nfs/dbraw/zinc/07/21/86/201072186.db2.gz KNBNQJFTNZLZOC-GFCCVEGCSA-N 0 0 330.436 1.845 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cccc(C(=O)OC)c1)CC2 ZINC000114875347 201072249 /nfs/dbraw/zinc/07/22/49/201072249.db2.gz QLDRHXHXHBMCBW-ZDUSSCGKSA-N 0 0 343.387 1.764 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)cc1F ZINC000119298904 201079194 /nfs/dbraw/zinc/07/91/94/201079194.db2.gz OPHZVAFGLFUUPI-AWEZNQCLSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCO1 ZINC000041917569 201095996 /nfs/dbraw/zinc/09/59/96/201095996.db2.gz WKKYNLNJPJXUJU-WFASDCNBSA-N 0 0 328.372 1.495 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)c2)n[nH]1 ZINC000131918110 223283824 /nfs/dbraw/zinc/28/38/24/223283824.db2.gz RVGLSRVFHHGVFI-LSDHHAIUSA-N 0 0 339.399 1.663 10 0 EDAERN COCCOc1ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cc1F ZINC000067320674 201159935 /nfs/dbraw/zinc/15/99/35/201159935.db2.gz KRUMIURBHRRHDZ-LLVKDONJSA-N 0 0 326.368 1.950 10 0 EDAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000187604899 138827975 /nfs/dbraw/zinc/82/79/75/138827975.db2.gz QILUDODRKKIYFJ-UWVGGRQHSA-N 0 0 349.357 1.630 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H](C)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000070690613 201168692 /nfs/dbraw/zinc/16/86/92/201168692.db2.gz VQNCBTUZZNKAJW-GFCCVEGCSA-N 0 0 344.415 1.584 10 0 EDAERN C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1C(=O)OC(C)(C)C ZINC000188320472 138838371 /nfs/dbraw/zinc/83/83/71/138838371.db2.gz ZRDJKPSKDQFTJK-STQMWFEESA-N 0 0 337.424 1.572 10 0 EDAERN Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1 ZINC000006521930 201362007 /nfs/dbraw/zinc/36/20/07/201362007.db2.gz JMQRGJWYVNHODX-UHFFFAOYSA-N 0 0 336.413 1.579 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 ZINC000000212352 201357852 /nfs/dbraw/zinc/35/78/52/201357852.db2.gz XCCWLMZOSNKBLM-UHFFFAOYSA-N 0 0 338.389 1.661 10 0 EDAERN NC(=S)c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCS1 ZINC000149898211 201389554 /nfs/dbraw/zinc/38/95/54/201389554.db2.gz MLPOSPMNQKKXQO-QMMMGPOBSA-N 0 0 334.463 1.634 10 0 EDAERN COCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000154251380 201396709 /nfs/dbraw/zinc/39/67/09/201396709.db2.gz KVVFPDXWXFDFSS-LBPRGKRZSA-N 0 0 346.424 1.267 10 0 EDAERN CC[C@H]1C(=O)NC(=O)CN1C(=O)c1cccc(F)c1Br ZINC000155966933 201397735 /nfs/dbraw/zinc/39/77/35/201397735.db2.gz UCPFRSZOFSGNAK-VIFPVBQESA-N 0 0 343.152 1.465 10 0 EDAERN Cc1nn([C@H]2CCO[C@@]3(CCSC3)C2)c(C)c1S(N)(=O)=O ZINC000156656432 201399376 /nfs/dbraw/zinc/39/93/76/201399376.db2.gz SZCXRUVIDIMEIT-AAEUAGOBSA-N 0 0 331.463 1.375 10 0 EDAERN COc1ccc(NC(=O)[C@H]2CCCCS2)cc1S(N)(=O)=O ZINC000157837750 201403959 /nfs/dbraw/zinc/40/39/59/201403959.db2.gz WITLNTMXMYVHPD-LLVKDONJSA-N 0 0 330.431 1.567 10 0 EDAERN C[C@@H](C(N)=S)N(C)S(=O)(=O)c1cccc(Br)c1 ZINC000045146910 202544992 /nfs/dbraw/zinc/54/49/92/202544992.db2.gz QYNXHSJIJKBOAP-ZETCQYMHSA-N 0 0 337.264 1.744 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)CCc2nn3cnnc3s2)cc1 ZINC000049662723 202626921 /nfs/dbraw/zinc/62/69/21/202626921.db2.gz LYEKSRRXCFPSTB-UHFFFAOYSA-N 0 0 330.373 1.716 10 0 EDAERN C[C@@H](CNC(=O)c1ccccc1I)C(N)=S ZINC000054153878 202666762 /nfs/dbraw/zinc/66/67/62/202666762.db2.gz OTITYBXVTZKLAS-ZETCQYMHSA-N 0 0 348.209 1.943 10 0 EDAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)N1CCCCCCC1 ZINC000055245260 202685200 /nfs/dbraw/zinc/68/52/00/202685200.db2.gz RPJBKHJBUXIYLI-QGZVFWFLSA-N 0 0 344.459 1.565 10 0 EDAERN CCOc1ncccc1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188791917 138852062 /nfs/dbraw/zinc/85/20/62/138852062.db2.gz HUGJBZCKURKJIM-UHFFFAOYSA-N 0 0 332.404 1.290 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)OC[C@@H]2CCOC2)c1 ZINC000165112060 201420836 /nfs/dbraw/zinc/42/08/36/201420836.db2.gz AKCFZVBJNKMTFG-SSDOTTSWSA-N 0 0 337.756 1.320 10 0 EDAERN Cc1noc(C)c1[C@H](C)CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188906546 138855577 /nfs/dbraw/zinc/85/55/77/138855577.db2.gz SQJJMTHRWKHUAO-SNVBAGLBSA-N 0 0 334.420 1.705 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(N)c1Cl)[S@](C)=O ZINC000165043400 201421059 /nfs/dbraw/zinc/42/10/59/201421059.db2.gz QZIYVYGQEXHCJZ-AHGSNSTDSA-N 0 0 345.273 1.621 10 0 EDAERN C[C@H](CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)N1CCCCC1=O ZINC000189432167 138873035 /nfs/dbraw/zinc/87/30/35/138873035.db2.gz NEVOIFNRULDBHR-HUUCEWRRSA-N 0 0 347.463 1.296 10 0 EDAERN Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(Cl)c1 ZINC000022145884 212279731 /nfs/dbraw/zinc/27/97/31/212279731.db2.gz CCBYWJQKGRSZBT-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)C(=O)Nc3cnccc3C)CCO2)cn1 ZINC000190550844 138893045 /nfs/dbraw/zinc/89/30/45/138893045.db2.gz WMGDYOLMURFIQU-OAHLLOKOSA-N 0 0 343.387 1.145 10 0 EDAERN COc1ccccc1[C@@H]1CN(S(=O)(=O)NC(C)C)CCN1C ZINC000062511478 202798560 /nfs/dbraw/zinc/79/85/60/202798560.db2.gz XRHRGDWXOPIIHR-AWEZNQCLSA-N 0 0 327.450 1.227 10 0 EDAERN NNc1nc2sccn2c1S(=O)(=O)NCc1ccsc1 ZINC000063147531 202805193 /nfs/dbraw/zinc/80/51/93/202805193.db2.gz RZSQNNZFPGZRDA-UHFFFAOYSA-N 0 0 329.432 1.221 10 0 EDAERN Cc1ccc2c(cccc2NC(=O)C2CN(S(=O)(=O)C3CC3)C2)n1 ZINC000070839080 203082417 /nfs/dbraw/zinc/08/24/17/203082417.db2.gz IPEFDSBZRIMULQ-UHFFFAOYSA-N 0 0 345.424 1.906 10 0 EDAERN C[C@@H](NC(=O)[C@@H](C)n1nc(-n2cccn2)ccc1=O)c1ccccc1 ZINC000070874112 203082912 /nfs/dbraw/zinc/08/29/12/203082912.db2.gz SZDYHJFGPFCLAI-ZIAGYGMSSA-N 0 0 337.383 1.867 10 0 EDAERN CCOc1cccn2c1nc(C)c2C(=O)N1CCC(C(N)=O)CC1 ZINC000071475014 203097569 /nfs/dbraw/zinc/09/75/69/203097569.db2.gz VIODGBYSZLWLDX-UHFFFAOYSA-N 0 0 330.388 1.379 10 0 EDAERN COCc1nnc(NC(=O)c2nc3ccccn3c2CN(C)C)s1 ZINC000071555749 203099943 /nfs/dbraw/zinc/09/99/43/203099943.db2.gz DEPSHUOCFMGBEK-UHFFFAOYSA-N 0 0 346.416 1.646 10 0 EDAERN O=C(NCCc1cn2c(n1)CCC2)c1cc2c([nH]c1=O)CCCC2=O ZINC000072446305 203225141 /nfs/dbraw/zinc/22/51/41/203225141.db2.gz ZEBNBTASNRHUBF-UHFFFAOYSA-N 0 0 340.383 1.009 10 0 EDAERN CCc1c(C)nc2n(c1=O)CN(CCO)CN2c1ccccc1OC ZINC000072442829 203225363 /nfs/dbraw/zinc/22/53/63/203225363.db2.gz GODDPURMAAZFTK-UHFFFAOYSA-N 0 0 344.415 1.484 10 0 EDAERN Cc1ccc(N2CN(CCO)Cn3c(=O)c(C)c(C)nc32)cc1C ZINC000072442876 203225458 /nfs/dbraw/zinc/22/54/58/203225458.db2.gz GUSJDDCZYWONLF-UHFFFAOYSA-N 0 0 328.416 1.838 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1nccs1 ZINC000074547616 203291112 /nfs/dbraw/zinc/29/11/12/203291112.db2.gz PBKONUPRJIIGIE-NSHDSACASA-N 0 0 331.463 1.306 10 0 EDAERN COCC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1 ZINC000075531655 203317350 /nfs/dbraw/zinc/31/73/50/203317350.db2.gz JFTNPTYDVOMDEP-UHFFFAOYSA-N 0 0 335.404 1.571 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000075530531 203317547 /nfs/dbraw/zinc/31/75/47/203317547.db2.gz LGKTWPIDMXRIMV-LDWIPMOCSA-N 0 0 333.207 1.235 10 0 EDAERN Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000076698864 203362774 /nfs/dbraw/zinc/36/27/74/203362774.db2.gz COCVCJMNBHXFMO-GJZGRUSLSA-N 0 0 342.399 1.473 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)ccc1Cl ZINC000193091490 138960696 /nfs/dbraw/zinc/96/06/96/138960696.db2.gz CIGJYHPWERQLIM-MFKMUULPSA-N 0 0 340.807 1.954 10 0 EDAERN CCOC(=O)[C@H](NC(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000192990946 138958393 /nfs/dbraw/zinc/95/83/93/138958393.db2.gz YUPXAGZPNRXVNE-CYBMUJFWSA-N 0 0 326.780 1.986 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n[nH]1 ZINC000077710322 203398479 /nfs/dbraw/zinc/39/84/79/203398479.db2.gz ULXWJPUKBHIXSL-QWRGUYRKSA-N 0 0 343.387 1.354 10 0 EDAERN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1cnn2ccncc12 ZINC000193123135 138961812 /nfs/dbraw/zinc/96/18/12/138961812.db2.gz ZFHHFCWWVMDGEX-AWEZNQCLSA-N 0 0 347.444 1.407 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(C)cc1F ZINC000088816886 203569776 /nfs/dbraw/zinc/56/97/76/203569776.db2.gz ZXQYOYMVYKNAPD-ZDUSSCGKSA-N 0 0 345.378 1.878 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3ccncn3)CC2)n1 ZINC000194189561 138987518 /nfs/dbraw/zinc/98/75/18/138987518.db2.gz VZJIOMXQQRVOQC-LLVKDONJSA-N 0 0 331.380 1.333 10 0 EDAERN CC(C)c1nnsc1C(=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000137767934 203706154 /nfs/dbraw/zinc/70/61/54/203706154.db2.gz MHPQBWWODDLTPM-JTQLQIEISA-N 0 0 331.463 1.906 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000103942367 204090861 /nfs/dbraw/zinc/09/08/61/204090861.db2.gz FMFMRRAUNGQAKU-LSDHHAIUSA-N 0 0 344.415 1.352 10 0 EDAERN O=S1(=O)CC[C@H](N2CCN(Cc3ccc4ccccc4n3)CC2)C1 ZINC000102696588 204046528 /nfs/dbraw/zinc/04/65/28/204046528.db2.gz KRHBYERCRHWJOP-KRWDZBQOSA-N 0 0 345.468 1.540 10 0 EDAERN Cc1ccc(OCCCCNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104784192 204120204 /nfs/dbraw/zinc/12/02/04/204120204.db2.gz MUSZGGSASCWQHV-QGZVFWFLSA-N 0 0 335.448 1.784 10 0 EDAERN COC(CNS(=O)(=O)c1sccc1Br)OC ZINC000042524813 204102555 /nfs/dbraw/zinc/10/25/55/204102555.db2.gz LAYIZCRVJRUFAA-UHFFFAOYSA-N 0 0 330.225 1.408 10 0 EDAERN COC[C@@H](O)CN(C)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000042515755 204103739 /nfs/dbraw/zinc/10/37/39/204103739.db2.gz PNOAUCJGRZETLB-QMMMGPOBSA-N 0 0 328.217 1.621 10 0 EDAERN Cc1ccn(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c(=O)c1 ZINC000194837704 139001065 /nfs/dbraw/zinc/00/10/65/139001065.db2.gz GMJFYSJFXFSUIU-GJZGRUSLSA-N 0 0 330.384 1.864 10 0 EDAERN CCN(CC)C(=O)[C@@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820524 204164016 /nfs/dbraw/zinc/16/40/16/204164016.db2.gz YGUSNXGEMDNFDQ-SJLPKXTDSA-N 0 0 333.476 1.595 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@@H]1C ZINC000152050671 204204043 /nfs/dbraw/zinc/20/40/43/204204043.db2.gz LKZNSQQLGDWOBX-GUYCJALGSA-N 0 0 336.407 1.698 10 0 EDAERN C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCS(=O)(=O)CC1 ZINC000043091991 204212011 /nfs/dbraw/zinc/21/20/11/204212011.db2.gz CJQLGXNIVGOCNB-MFKMUULPSA-N 0 0 347.278 1.568 10 0 EDAERN CCc1noc([C@H](C)N2CCN(Cc3ccoc3C(=O)OC)CC2)n1 ZINC000105865216 204173156 /nfs/dbraw/zinc/17/31/56/204173156.db2.gz YQQJQCISRNJVMK-LBPRGKRZSA-N 0 0 348.403 1.890 10 0 EDAERN Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000105898011 204178328 /nfs/dbraw/zinc/17/83/28/204178328.db2.gz LUZSFROEJZBRQZ-QGZVFWFLSA-N 0 0 327.432 1.882 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](C)N1CCOCC1 ZINC000106099457 204186261 /nfs/dbraw/zinc/18/62/61/204186261.db2.gz UFLILYFHXHSVKH-AWEZNQCLSA-N 0 0 342.443 1.940 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)c3cccn3C)CC2)n1 ZINC000106153876 204186785 /nfs/dbraw/zinc/18/67/85/204186785.db2.gz GTDGYPQLSQTDOI-UHFFFAOYSA-N 0 0 343.431 1.527 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@H](Cn3cccn3)C2)c1C ZINC000106193572 204188334 /nfs/dbraw/zinc/18/83/34/204188334.db2.gz VUAJHNAUBRMVMC-HNNXBMFYSA-N 0 0 344.415 1.614 10 0 EDAERN Cn1cc(CN2C[C@@H](NC(=O)c3cscn3)[C@H]3OCCC[C@H]32)cn1 ZINC000107204484 204227953 /nfs/dbraw/zinc/22/79/53/204227953.db2.gz WYFYVNFINHRURW-BPLDGKMQSA-N 0 0 347.444 1.038 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000107746568 204246548 /nfs/dbraw/zinc/24/65/48/204246548.db2.gz WBJSLLKTLGTWAG-CYBMUJFWSA-N 0 0 327.812 1.478 10 0 EDAERN CCc1nnc2ccc(N3CCN([C@H](C)c4nc(C)no4)CC3)nn21 ZINC000109320382 204282507 /nfs/dbraw/zinc/28/25/07/204282507.db2.gz JTEPIVYUSLFMRO-LLVKDONJSA-N 0 0 342.407 1.261 10 0 EDAERN CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109084709 204275680 /nfs/dbraw/zinc/27/56/80/204275680.db2.gz SSXCOMXYLCVEMN-MNOVXSKESA-N 0 0 332.372 1.124 10 0 EDAERN CCOC(=O)N1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)CC1 ZINC000110111187 204302484 /nfs/dbraw/zinc/30/24/84/204302484.db2.gz YHABOAIELMMQGJ-AWEZNQCLSA-N 0 0 333.436 1.991 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000152406114 204303194 /nfs/dbraw/zinc/30/31/94/204303194.db2.gz JOZMYKYZYAHIQJ-ZDUSSCGKSA-N 0 0 329.404 1.452 10 0 EDAERN COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1c(N)cccc1Cl ZINC000045166761 204315760 /nfs/dbraw/zinc/31/57/60/204315760.db2.gz KWKUNPKBRCLBRO-NSHDSACASA-N 0 0 334.825 1.788 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)OCC(F)(F)F)C2)c1 ZINC000110728362 204321260 /nfs/dbraw/zinc/32/12/60/204321260.db2.gz DROBBGCSQJXWAX-NSHDSACASA-N 0 0 348.325 1.644 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cccc(Cl)n3)CC2)n1 ZINC000110893112 204325616 /nfs/dbraw/zinc/32/56/16/204325616.db2.gz ATUWSUJRDJXMLJ-JTQLQIEISA-N 0 0 335.795 1.945 10 0 EDAERN COCCN(CCOC)C(=O)c1cc(N)ccc1Br ZINC000045623607 204328348 /nfs/dbraw/zinc/32/83/48/204328348.db2.gz LZNNBXFATKBQPK-UHFFFAOYSA-N 0 0 331.210 1.766 10 0 EDAERN CCOC(=O)CCN(C)S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000045664833 204329519 /nfs/dbraw/zinc/32/95/19/204329519.db2.gz KNHWXGLJKBDZMF-UHFFFAOYSA-N 0 0 338.788 1.635 10 0 EDAERN O=C(c1ccn(-c2ccccc2)n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111079672 204334509 /nfs/dbraw/zinc/33/45/09/204334509.db2.gz ALVYQPIFAGOYAZ-INIZCTEOSA-N 0 0 337.383 1.610 10 0 EDAERN O=C(CCCOc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111089432 204336838 /nfs/dbraw/zinc/33/68/38/204336838.db2.gz WKFADJGVUPUVMJ-KRWDZBQOSA-N 0 0 329.400 1.970 10 0 EDAERN COC[C@H](O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000047952165 204338055 /nfs/dbraw/zinc/33/80/55/204338055.db2.gz GNDQWFUCRYSEOI-SECBINFHSA-N 0 0 328.217 1.621 10 0 EDAERN [NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000048839567 204357203 /nfs/dbraw/zinc/35/72/03/204357203.db2.gz FUCHWVWQSPNNQM-MNOVXSKESA-N 0 0 332.809 1.586 10 0 EDAERN CN(C[C@H]1CCCO1)S(=O)(=O)c1cc(Br)ccc1N ZINC000048947066 204361196 /nfs/dbraw/zinc/36/11/96/204361196.db2.gz OSRQVWILODAWQA-SNVBAGLBSA-N 0 0 349.250 1.831 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n1 ZINC000111621316 204364498 /nfs/dbraw/zinc/36/44/98/204364498.db2.gz OFAOBVXBWHXCBV-NSHDSACASA-N 0 0 340.387 1.773 10 0 EDAERN COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000049063384 204366265 /nfs/dbraw/zinc/36/62/65/204366265.db2.gz LXRWSNVMWXJLNT-LURJTMIESA-N 0 0 326.296 1.591 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)C(C)C)sc1C(=O)[O-] ZINC000049200421 204371533 /nfs/dbraw/zinc/37/15/33/204371533.db2.gz PBOWELCYJLECGZ-JTQLQIEISA-N 0 0 334.463 1.619 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3ncccc3C)CCO2)n1 ZINC000111857655 204377207 /nfs/dbraw/zinc/37/72/07/204377207.db2.gz RVMFORLKHVSOQG-INIZCTEOSA-N 0 0 343.431 1.814 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(CC(=O)NCc2cccnc2)C1 ZINC000111229476 204343688 /nfs/dbraw/zinc/34/36/88/204343688.db2.gz MAASGXSKEFSPDZ-MRXNPFEDSA-N 0 0 327.432 1.794 10 0 EDAERN O=C1[C@H](N2CCC(Cn3cccn3)CC2)CCN1CC(F)(F)F ZINC000111229240 204344010 /nfs/dbraw/zinc/34/40/10/204344010.db2.gz JJXXSCWKSULKDO-CYBMUJFWSA-N 0 0 330.354 1.758 10 0 EDAERN C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1nnc2n1CCCC2 ZINC000152620706 204403103 /nfs/dbraw/zinc/40/31/03/204403103.db2.gz IEOOUJKALFYQEP-LBPRGKRZSA-N 0 0 337.387 1.686 10 0 EDAERN CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000112061392 204380996 /nfs/dbraw/zinc/38/09/96/204380996.db2.gz VMZLLVDAXAKKGN-QGZVFWFLSA-N 0 0 342.399 1.691 10 0 EDAERN COc1ccccc1OCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112060445 204381568 /nfs/dbraw/zinc/38/15/68/204381568.db2.gz NIIAHYOENMSOQM-HNNXBMFYSA-N 0 0 345.399 1.507 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)c1 ZINC000112093661 204382099 /nfs/dbraw/zinc/38/20/99/204382099.db2.gz JGADMBSGQUJKHW-HNNXBMFYSA-N 0 0 335.429 1.590 10 0 EDAERN COc1cccc(OC)c1C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112117759 204383897 /nfs/dbraw/zinc/38/38/97/204383897.db2.gz ZUXIJIRLQGIMTH-CQSZACIVSA-N 0 0 345.399 1.750 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(F)c3)CCO2)c1 ZINC000112148032 204385519 /nfs/dbraw/zinc/38/55/19/204385519.db2.gz UKLUJZKGROGUOR-HNNXBMFYSA-N 0 0 346.362 1.197 10 0 EDAERN CCCCOC[C@H](O)CN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000195188374 139009406 /nfs/dbraw/zinc/00/94/06/139009406.db2.gz JIISRGDHWGQGPD-CHWSQXEVSA-N 0 0 327.450 1.724 10 0 EDAERN CCCCOC[C@@H](O)CN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000195188387 139009429 /nfs/dbraw/zinc/00/94/29/139009429.db2.gz JIISRGDHWGQGPD-QWHCGFSZSA-N 0 0 327.450 1.724 10 0 EDAERN CCN(C)C(=O)CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000186205825 284277187 /nfs/dbraw/zinc/27/71/87/284277187.db2.gz LLWPFZAPYBYHQL-HOTGVXAUSA-N 0 0 333.432 1.762 10 0 EDAERN CCc1csc([C@@H]2CCCN([C@@H](C)C(=O)NCC(=O)OC)C2)n1 ZINC000195377991 139015564 /nfs/dbraw/zinc/01/55/64/139015564.db2.gz LUUNBEPFOHHIKB-NWDGAFQWSA-N 0 0 339.461 1.563 10 0 EDAERN Cn1nccc1C1CCN(CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000195503369 139018267 /nfs/dbraw/zinc/01/82/67/139018267.db2.gz VXPYBGDYPHGMLF-UHFFFAOYSA-N 0 0 345.403 1.219 10 0 EDAERN CCOc1cccc(CNC(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000117476437 204571191 /nfs/dbraw/zinc/57/11/91/204571191.db2.gz MKAQFZZAEVIKRN-OAHLLOKOSA-N 0 0 335.448 1.947 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000118078678 204585670 /nfs/dbraw/zinc/58/56/70/204585670.db2.gz MVWKOLFSRBERLH-UHFFFAOYSA-N 0 0 337.405 1.385 10 0 EDAERN NC(=O)COc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120859976 204765443 /nfs/dbraw/zinc/76/54/43/204765443.db2.gz CMUNJPTYYCGFRB-ACJLOTCBSA-N 0 0 332.400 1.318 10 0 EDAERN O=C(NCc1ccc(F)cc1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121623775 204815710 /nfs/dbraw/zinc/81/57/10/204815710.db2.gz XRBKQXFXPQKFHP-KBXCAEBGSA-N 0 0 334.391 1.596 10 0 EDAERN CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)s1 ZINC000122055264 204845113 /nfs/dbraw/zinc/84/51/13/204845113.db2.gz CPKHFEPUJFJDCF-JTQLQIEISA-N 0 0 340.474 1.930 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(O)cc1 ZINC000122450146 204868648 /nfs/dbraw/zinc/86/86/48/204868648.db2.gz FICCUOQLYLYTKW-AWEZNQCLSA-N 0 0 345.403 1.807 10 0 EDAERN CN(C(=O)NCCCC(C)(C)CO)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122741382 204885390 /nfs/dbraw/zinc/88/53/90/204885390.db2.gz PGILGBYDKLTROC-OAHLLOKOSA-N 0 0 349.479 1.886 10 0 EDAERN Cc1cccn2cc(CNC(=O)[C@H](C)NC(=O)c3ccco3)nc12 ZINC000110798701 220067020 /nfs/dbraw/zinc/06/70/20/220067020.db2.gz VMLBJDBEYNDMQQ-LBPRGKRZSA-N 0 0 326.356 1.670 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)CC(C)=O)C(C)C ZINC000129380533 205192279 /nfs/dbraw/zinc/19/22/79/205192279.db2.gz FPGNXMOQHHARTD-MLGOLLRUSA-N 0 0 334.416 1.933 10 0 EDAERN C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C[C@@H](O)COC(C)(C)C ZINC000131549734 205292100 /nfs/dbraw/zinc/29/21/00/205292100.db2.gz JGXASIMNUXDUCC-SNVBAGLBSA-N 0 0 325.434 1.592 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000158088207 205293126 /nfs/dbraw/zinc/29/31/26/205293126.db2.gz ACOHYJFRMLAQJE-HUUCEWRRSA-N 0 0 327.384 1.866 10 0 EDAERN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000132422939 205324611 /nfs/dbraw/zinc/32/46/11/205324611.db2.gz FMLFBNVTZDJDEP-OAHLLOKOSA-N 0 0 343.431 1.549 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000132560777 205331748 /nfs/dbraw/zinc/33/17/48/205331748.db2.gz YJZAESZYOYNZKW-GFCCVEGCSA-N 0 0 348.428 1.894 10 0 EDAERN Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000132045583 205311689 /nfs/dbraw/zinc/31/16/89/205311689.db2.gz VLTVEZRXMUQLHB-AWEZNQCLSA-N 0 0 344.419 1.336 10 0 EDAERN CC(=O)N1c2ccc(S(=O)(=O)NCC(=O)C(C)C)cc2C[C@H]1C ZINC000133698357 205374358 /nfs/dbraw/zinc/37/43/58/205374358.db2.gz QMZASPKUGAEAIL-LLVKDONJSA-N 0 0 338.429 1.488 10 0 EDAERN O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@H]2O1 ZINC000096043067 284375003 /nfs/dbraw/zinc/37/50/03/284375003.db2.gz YSNCEZDEOKHRRM-TUKIKUTGSA-N 0 0 343.362 1.633 10 0 EDAERN COc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000141505417 205555481 /nfs/dbraw/zinc/55/54/81/205555481.db2.gz IIZRXKPUZHNNLL-LLVKDONJSA-N 0 0 335.795 1.754 10 0 EDAERN C[C@H]1CCCCN1S(=O)(=O)NCc1ccc(C(N)=S)cc1 ZINC000051667539 205560221 /nfs/dbraw/zinc/56/02/21/205560221.db2.gz AGAIDZUQVXBCON-NSHDSACASA-N 0 0 327.475 1.530 10 0 EDAERN O=C(NCCCOC1CCCC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111845709 220205602 /nfs/dbraw/zinc/20/56/02/220205602.db2.gz YGPQHEUDMVFAON-MRXNPFEDSA-N 0 0 336.436 1.643 10 0 EDAERN CCn1cc(NC(=O)CCn2nc(C)c(Cl)c2C)c(C(N)=O)n1 ZINC000002781287 205632364 /nfs/dbraw/zinc/63/23/64/205632364.db2.gz AODMSICGTCUIIA-UHFFFAOYSA-N 0 0 338.799 1.497 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000245453998 139075412 /nfs/dbraw/zinc/07/54/12/139075412.db2.gz GPXDTNISAPQBPH-RRFJBIMHSA-N 0 0 335.404 1.090 10 0 EDAERN OCc1cn(Cc2nnc(-c3ccc(Br)cc3)o2)nn1 ZINC000052222811 205833133 /nfs/dbraw/zinc/83/31/33/205833133.db2.gz YGVGPEYPBSZGFB-UHFFFAOYSA-N 0 0 336.149 1.631 10 0 EDAERN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@H]1CNC(=O)C1 ZINC000155451582 206008325 /nfs/dbraw/zinc/00/83/25/206008325.db2.gz GOVQRVJNXLUSNM-SECBINFHSA-N 0 0 338.289 1.966 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)cc1F ZINC000155755827 206031111 /nfs/dbraw/zinc/03/11/11/206031111.db2.gz NACHLNJQGUQFTG-GFCCVEGCSA-N 0 0 326.299 1.457 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1Br ZINC000157295585 206129440 /nfs/dbraw/zinc/12/94/40/206129440.db2.gz NBSXQNLHWZDOIK-LBPRGKRZSA-N 0 0 340.221 1.869 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000157416854 206134460 /nfs/dbraw/zinc/13/44/60/206134460.db2.gz HFUXZHKTIUJRPQ-MRXNPFEDSA-N 0 0 344.415 1.254 10 0 EDAERN [NH3+][C@@H](Cc1cn(-c2ccc(Cl)cc2Br)nn1)C(=O)[O-] ZINC000157609807 206145846 /nfs/dbraw/zinc/14/58/46/206145846.db2.gz NGAUMURWOIKOST-VIFPVBQESA-N 0 0 345.584 1.638 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cnc2ccccc2c1 ZINC000158495309 206194671 /nfs/dbraw/zinc/19/46/71/206194671.db2.gz QYRSJGXWXMRYGT-BBRMVZONSA-N 0 0 327.384 1.841 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc2ncsc2c1 ZINC000158546950 206198109 /nfs/dbraw/zinc/19/81/09/206198109.db2.gz KBHCHGIDBXFHEK-GWCFXTLKSA-N 0 0 333.413 1.902 10 0 EDAERN Cc1cc(CO)cc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1Br ZINC000158610730 206201065 /nfs/dbraw/zinc/20/10/65/206201065.db2.gz FNVVDORCISVOCB-OIBJUYFYSA-N 0 0 334.235 1.937 10 0 EDAERN C[C@H](NC(=O)c1cncc(I)c1)[C@@H]1CCCO1 ZINC000158652111 206202752 /nfs/dbraw/zinc/20/27/52/206202752.db2.gz UUJLDEREFYYCES-KWQFWETISA-N 0 0 346.168 1.984 10 0 EDAERN C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)[C@@H]1CCCO1 ZINC000245955200 139091280 /nfs/dbraw/zinc/09/12/80/139091280.db2.gz CMFYJHFTVDEVMM-CFVMTHIKSA-N 0 0 340.445 1.639 10 0 EDAERN O=c1c(Br)c(NCc2cncs2)cnn1CCO ZINC000158949707 206217714 /nfs/dbraw/zinc/21/77/14/206217714.db2.gz QBQRYMWVCNGPIG-UHFFFAOYSA-N 0 0 331.195 1.067 10 0 EDAERN O=c1ccnc(Sc2ncc(I)cn2)[nH]1 ZINC000159267526 206234007 /nfs/dbraw/zinc/23/40/07/206234007.db2.gz XBVODLNCYPLXEC-UHFFFAOYSA-N 0 0 332.126 1.728 10 0 EDAERN COc1cc(OC)cc(N2CC[C@H](N3C[C@H](C)O[C@@H](C)C3)C2=O)c1 ZINC000246178679 139097951 /nfs/dbraw/zinc/09/79/51/139097951.db2.gz JZEVRUYMVAFWMC-DCGLDWPTSA-N 0 0 334.416 1.918 10 0 EDAERN C[C@H](Sc1ccccn1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246271179 139102022 /nfs/dbraw/zinc/10/20/22/139102022.db2.gz IZTCYVFHBZGZRX-ILXRZTDVSA-N 0 0 335.473 1.741 10 0 EDAERN Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246510975 139111378 /nfs/dbraw/zinc/11/13/78/139111378.db2.gz NWVRKWKETDEJCD-HIFRSBDPSA-N 0 0 342.436 1.475 10 0 EDAERN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CNC(=O)C1 ZINC000246843072 139123799 /nfs/dbraw/zinc/12/37/99/139123799.db2.gz CZTMVYFGZSLZSH-QWRGUYRKSA-N 0 0 339.342 1.119 10 0 EDAERN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[C@@H](N2CCOCC2)C1 ZINC000246992231 139130028 /nfs/dbraw/zinc/13/00/28/139130028.db2.gz PEPUNNVEFKNDMU-LULLPPNCSA-N 0 0 341.455 1.688 10 0 EDAERN CCOc1ccccc1N1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000103218619 206396583 /nfs/dbraw/zinc/39/65/83/206396583.db2.gz SEALCHCRMFIQOD-MRXNPFEDSA-N 0 0 347.459 1.191 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000163583218 206462158 /nfs/dbraw/zinc/46/21/58/206462158.db2.gz NDUSISLWTMWXGW-CQSZACIVSA-N 0 0 329.356 1.661 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccccc2Cl)C[C@@H]1C ZINC000247116097 139136125 /nfs/dbraw/zinc/13/61/25/139136125.db2.gz JFBIKJBFQQXDBM-KKUMJFAQSA-N 0 0 342.867 1.467 10 0 EDAERN O=C(Cn1cnc(Cl)c(Br)c1=O)N1CCCCC1 ZINC000164856382 206506192 /nfs/dbraw/zinc/50/61/92/206506192.db2.gz LLNZLUCXXQOQIR-UHFFFAOYSA-N 0 0 334.601 1.672 10 0 EDAERN CN(C(=O)NC[C@@H]1CN(C)CCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC000247232213 139141479 /nfs/dbraw/zinc/14/14/79/139141479.db2.gz OABIUBXEJWHWRG-ZWKOTPCHSA-N 0 0 346.475 1.627 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2nc(C)cs2)C[C@@H]1C ZINC000247246406 139142251 /nfs/dbraw/zinc/14/22/51/139142251.db2.gz XIVLPURHMUZMSE-STQMWFEESA-N 0 0 326.466 1.875 10 0 EDAERN CCCCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3ncnn3C2)C1(C)C ZINC000247360437 139145875 /nfs/dbraw/zinc/14/58/75/139145875.db2.gz QIITUMDBZMTIIS-MELADBBJSA-N 0 0 335.452 1.876 10 0 EDAERN O=C(c1ccc(Br)cc1Cl)N1CCO[C@H](CO)C1 ZINC000168374095 206545068 /nfs/dbraw/zinc/54/50/68/206545068.db2.gz MDSSGNMLCNQBLP-VIFPVBQESA-N 0 0 334.597 1.936 10 0 EDAERN COC(=O)c1ccccc1C(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O ZINC000170501054 206578130 /nfs/dbraw/zinc/57/81/30/206578130.db2.gz JXJLIRABAPNTNC-UHFFFAOYSA-N 0 0 344.323 1.928 10 0 EDAERN COC(=O)c1ccc(NC(=O)[C@]2(C)CC(=O)N=C3C=CC=CN32)cc1 ZINC000170575287 206579887 /nfs/dbraw/zinc/57/98/87/206579887.db2.gz GIYVHBRGKHMKAS-SFHVURJKSA-N 0 0 339.351 1.885 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000170762949 206611789 /nfs/dbraw/zinc/61/17/89/206611789.db2.gz CSIDETWWXLWZOB-KBPBESRZSA-N 0 0 332.331 1.949 10 0 EDAERN NC(=O)CN1CCC(C(=O)N2CCCC[C@H]2c2ccccn2)CC1 ZINC000091860315 218079915 /nfs/dbraw/zinc/07/99/15/218079915.db2.gz UACGAFKXLNKUTO-INIZCTEOSA-N 0 0 330.432 1.333 10 0 EDAERN CC(C)C[C@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092228803 218127622 /nfs/dbraw/zinc/12/76/22/218127622.db2.gz MQTYUMOIAUZBRM-JKSUJKDBSA-N 0 0 333.432 1.076 10 0 EDAERN Cc1ccc(N2CCCN([C@H](C)c3nnnn3C3CC3)CC2)nn1 ZINC000248841776 139177335 /nfs/dbraw/zinc/17/73/35/139177335.db2.gz LRCAWIHQASLRKZ-CYBMUJFWSA-N 0 0 328.424 1.380 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000249594396 139196286 /nfs/dbraw/zinc/19/62/86/139196286.db2.gz WKLPMYYZUAFBEZ-CJNGLKHVSA-N 0 0 340.370 1.321 10 0 EDAERN O[C@@H](COCc1ccc(Cl)cc1)CN1CCOC[C@]12CCOC2 ZINC000249596636 139196299 /nfs/dbraw/zinc/19/62/99/139196299.db2.gz PVTAHVWASWLNKN-IAGOWNOFSA-N 0 0 341.835 1.709 10 0 EDAERN CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171433139 206704280 /nfs/dbraw/zinc/70/42/80/206704280.db2.gz NHRKXRNNSANCRA-HNNXBMFYSA-N 0 0 348.428 1.306 10 0 EDAERN Cc1cnn([C@@H]2CCCN([C@H]3CCN(CC(F)(F)F)C3=O)C2)c1 ZINC000252443435 139204405 /nfs/dbraw/zinc/20/44/05/139204405.db2.gz SEGBKCXKUNBBFD-OLZOCXBDSA-N 0 0 330.354 1.992 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@H](C)COCc2ccccc2)cn1 ZINC000173337647 206916369 /nfs/dbraw/zinc/91/63/69/206916369.db2.gz KDPCUVZMJOGIGT-CYBMUJFWSA-N 0 0 345.403 1.356 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2c(C)nn(C)c2C)C1 ZINC000173474448 206930972 /nfs/dbraw/zinc/93/09/72/206930972.db2.gz TXZSAJIZSZHCKV-CQSZACIVSA-N 0 0 335.452 1.627 10 0 EDAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(F)F ZINC000174568485 207032538 /nfs/dbraw/zinc/03/25/38/207032538.db2.gz HZAQAOPDBLNYTA-LBPRGKRZSA-N 0 0 345.371 1.131 10 0 EDAERN NC(=O)c1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)nc1 ZINC000174865509 207067365 /nfs/dbraw/zinc/06/73/65/207067365.db2.gz IZGXXEYPIMTJDR-DOTOQJQBSA-N 0 0 339.395 1.909 10 0 EDAERN COc1ncc(C)cc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000174979730 207078894 /nfs/dbraw/zinc/07/88/94/207078894.db2.gz GIUALUQRNIUOAT-ZDUSSCGKSA-N 0 0 331.376 1.528 10 0 EDAERN COc1ccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000175019635 207084601 /nfs/dbraw/zinc/08/46/01/207084601.db2.gz GDWYZRGMYVGVTA-HNNXBMFYSA-N 0 0 342.399 1.663 10 0 EDAERN COCCS(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000175211874 207103903 /nfs/dbraw/zinc/10/39/03/207103903.db2.gz KWAHNAVZPPICGR-ZDUSSCGKSA-N 0 0 348.490 1.029 10 0 EDAERN CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ccco1 ZINC000175340723 207117713 /nfs/dbraw/zinc/11/77/13/207117713.db2.gz KPQSVFNBGRGZNO-ZDUSSCGKSA-N 0 0 344.433 1.288 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)cc3O)C2=O)n(C)n1 ZINC000175421554 207124591 /nfs/dbraw/zinc/12/45/91/207124591.db2.gz RYKULAOLBWQUGB-AWEZNQCLSA-N 0 0 342.399 1.668 10 0 EDAERN O=C(Nc1cccc2c1OCCO2)N1CCC[C@H](n2cncn2)C1 ZINC000175418066 207125772 /nfs/dbraw/zinc/12/57/72/207125772.db2.gz GAKXVFIWYCKAGH-LBPRGKRZSA-N 0 0 329.360 1.918 10 0 EDAERN O=C([O-])C[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1CC[NH+]1CCOCC1 ZINC000012481162 207147729 /nfs/dbraw/zinc/14/77/29/207147729.db2.gz IKCHSEKNDBMADL-HOTGVXAUSA-N 0 0 338.448 1.448 10 0 EDAERN O=C(NCc1nncn1-c1ccccc1)N[C@H]1CCCC[C@@H]1CO ZINC000175957019 207177081 /nfs/dbraw/zinc/17/70/81/207177081.db2.gz PRBNMMRMOINNSV-HIFRSBDPSA-N 0 0 329.404 1.618 10 0 EDAERN O=C(Nc1cccnc1N1CCOCC1)N[C@H]1CCCn2ncnc21 ZINC000175960315 207177267 /nfs/dbraw/zinc/17/72/67/207177267.db2.gz NEIHJFXCBFRQLK-ZDUSSCGKSA-N 0 0 343.391 1.166 10 0 EDAERN O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@H]1CCCn2ncnc21 ZINC000175893354 207170924 /nfs/dbraw/zinc/17/09/24/207170924.db2.gz JUHBZJGLUVEGFR-AWEZNQCLSA-N 0 0 340.387 1.827 10 0 EDAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176099901 207190920 /nfs/dbraw/zinc/19/09/20/207190920.db2.gz RCGLLMYZOAFNDM-CQSZACIVSA-N 0 0 325.372 1.357 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176341830 207218161 /nfs/dbraw/zinc/21/81/61/207218161.db2.gz CIEVRIVSOVYEDY-NSHDSACASA-N 0 0 331.463 1.814 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC000176287695 207211729 /nfs/dbraw/zinc/21/17/29/207211729.db2.gz LWJFTDAQDCYQED-WFASDCNBSA-N 0 0 341.415 1.746 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)CC2(CS(C)(=O)=O)CC2)cn1 ZINC000176759296 207257591 /nfs/dbraw/zinc/25/75/91/207257591.db2.gz AKAKAENLULDMBW-CYBMUJFWSA-N 0 0 325.434 1.299 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)C(=O)NCc1ccccc1 ZINC000177311414 207318693 /nfs/dbraw/zinc/31/86/93/207318693.db2.gz SJPVSYJTRXHPAY-GXTWGEPZSA-N 0 0 342.403 1.117 10 0 EDAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177392168 207329116 /nfs/dbraw/zinc/32/91/16/207329116.db2.gz SUGORKURVCBMMR-CYBMUJFWSA-N 0 0 326.400 1.803 10 0 EDAERN O=C(Nc1cccc(-c2nnco2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177546311 207352514 /nfs/dbraw/zinc/35/25/14/207352514.db2.gz COIHRLRXVYDQQT-TZMCWYRMSA-N 0 0 344.371 1.342 10 0 EDAERN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177559973 207354413 /nfs/dbraw/zinc/35/44/13/207354413.db2.gz OHRRRJRSCRUCCH-NWDGAFQWSA-N 0 0 337.424 1.732 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000177606436 207363225 /nfs/dbraw/zinc/36/32/25/207363225.db2.gz BUIRAFYEJPHOPL-ZIAGYGMSSA-N 0 0 333.432 1.101 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000177614413 207364029 /nfs/dbraw/zinc/36/40/29/207364029.db2.gz GPAKSIPLHJSJMN-IUODEOHRSA-N 0 0 337.395 1.068 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1C ZINC000177651008 207370839 /nfs/dbraw/zinc/37/08/39/207370839.db2.gz MTIMHWNMPFYAOG-OAHLLOKOSA-N 0 0 342.399 1.366 10 0 EDAERN O=S(=O)(Cc1ncc(-c2cccc(Cl)c2)o1)C[C@@H](O)CO ZINC000177671252 207371981 /nfs/dbraw/zinc/37/19/81/207371981.db2.gz BMWRLAMKVCYMPG-NSHDSACASA-N 0 0 331.777 1.263 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccn3ccnc3c2)C[C@H]1C ZINC000177782584 207395753 /nfs/dbraw/zinc/39/57/53/207395753.db2.gz BWZUZFAXRAEPLO-CQSZACIVSA-N 0 0 331.420 1.196 10 0 EDAERN O=C(NCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccco1 ZINC000178493883 207492718 /nfs/dbraw/zinc/49/27/18/207492718.db2.gz BLUSPPKSFBBKQU-CXAGYDPISA-N 0 0 335.404 1.346 10 0 EDAERN CCCC[C@H](N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OC ZINC000179335936 207612059 /nfs/dbraw/zinc/61/20/59/207612059.db2.gz XFPMPOKNUOUYGG-KGLIPLIRSA-N 0 0 336.436 1.545 10 0 EDAERN Cc1c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)nnn1-c1ccc(C)cc1 ZINC000263245645 139330671 /nfs/dbraw/zinc/33/06/71/139330671.db2.gz PEQPSNDOGVCMFV-AWEZNQCLSA-N 0 0 339.403 1.510 10 0 EDAERN CN1CC[NH2+]C[C@@H]1c1noc(C2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000263269619 139332114 /nfs/dbraw/zinc/33/21/14/139332114.db2.gz SAAYIKPRJMZKMS-CQSZACIVSA-N 0 0 345.403 1.259 10 0 EDAERN CC(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000112473766 220334938 /nfs/dbraw/zinc/33/49/38/220334938.db2.gz YPBCEHDLNPNUQP-RISCZKNCSA-N 0 0 338.429 1.473 10 0 EDAERN CNc1nnc(CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)s1 ZINC000183848290 533094468 /nfs/dbraw/zinc/09/44/68/533094468.db2.gz FFMSUOAEXOILAO-UHFFFAOYSA-N 0 0 348.432 1.968 10 0 EDAERN O=C1N[C@@H](c2ccc(Br)c(Cl)c2)N2CCOC[C@H]12 ZINC000191621593 296388354 /nfs/dbraw/zinc/38/83/54/296388354.db2.gz FORBYDGGLBOTLS-GHMZBOCLSA-N 0 0 331.597 1.932 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N[C@H](CO)c1ccccc1 ZINC000154259720 224227477 /nfs/dbraw/zinc/22/74/77/224227477.db2.gz ZGRCTVOKCRZLIE-LLVKDONJSA-N 0 0 327.793 1.329 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000117294732 221047047 /nfs/dbraw/zinc/04/70/47/221047047.db2.gz YCGUICOMMNADQD-HNNXBMFYSA-N 0 0 328.416 1.665 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2C(C)C)C[C@H]1C ZINC000117522979 221074191 /nfs/dbraw/zinc/07/41/91/221074191.db2.gz QHWRVZALKMMJLP-OAHLLOKOSA-N 0 0 347.459 1.928 10 0 EDAERN CC(=O)N1CCc2cc(NC(=O)N3CCC[C@@H]3C(=O)N(C)C)ccc21 ZINC000118796763 221185130 /nfs/dbraw/zinc/18/51/30/221185130.db2.gz QFDXOTSDLMLBIN-MRXNPFEDSA-N 0 0 344.415 1.680 10 0 EDAERN Cc1noc(C)c1CN1CC[C@@H]2C[C@H](C(=O)N3CCCCO3)O[C@H]2C1 ZINC000248004109 257670287 /nfs/dbraw/zinc/67/02/87/257670287.db2.gz GQKJBFRMUSCOKC-OIISXLGYSA-N 0 0 349.431 1.825 10 0 EDAERN CS(=O)(=O)CCCCCNC(=O)N[C@H]1COc2ccccc21 ZINC000187705287 533341705 /nfs/dbraw/zinc/34/17/05/533341705.db2.gz FQLKRAOLEGIYAN-ZDUSSCGKSA-N 0 0 326.418 1.634 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C(F)F)c1 ZINC000190334101 533390901 /nfs/dbraw/zinc/39/09/01/533390901.db2.gz QLZJUGGQKWCYLS-LLVKDONJSA-N 0 0 326.299 1.727 10 0 EDAERN CS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000174737124 533456986 /nfs/dbraw/zinc/45/69/86/533456986.db2.gz GHPFWXNAGIFXLL-CYBMUJFWSA-N 0 0 349.416 1.551 10 0 EDAERN COc1cc(Br)c(N)cc1S(=O)(=O)N1CC=CCC1 ZINC000167394880 533487458 /nfs/dbraw/zinc/48/74/58/533487458.db2.gz UZGXJUASAFRZCY-UHFFFAOYSA-N 0 0 347.234 1.991 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1c(Cl)cccc1Cl ZINC000168881012 533548409 /nfs/dbraw/zinc/54/84/09/533548409.db2.gz MGUOCWMZQOUOGJ-QPUJVOFHSA-N 0 0 332.183 1.671 10 0 EDAERN CCS(=O)(=O)N1CCCc2cc(NC(=O)NCCOC)ccc21 ZINC000038700266 132396939 /nfs/dbraw/zinc/39/69/39/132396939.db2.gz POSMFVYDVKPBSM-UHFFFAOYSA-N 0 0 341.433 1.557 10 0 EDAERN Cn1cc([C@H]2C[S@@](=O)CCN2Cc2nc3cccnc3s2)cn1 ZINC000329226659 140702086 /nfs/dbraw/zinc/70/20/86/140702086.db2.gz HOVLMUDGQUFXBB-ZLOXQWCVSA-N 0 0 347.469 1.730 10 0 EDAERN O=C([C@H]1CCCCS1(=O)=O)N1CCC[C@H](c2nccs2)C1 ZINC000329588599 140742509 /nfs/dbraw/zinc/74/25/09/140742509.db2.gz NBGNECMLJSOWPX-NWDGAFQWSA-N 0 0 328.459 1.816 10 0 EDAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000333016689 141250441 /nfs/dbraw/zinc/25/04/41/141250441.db2.gz CHEFXCFVMDYVRP-IUODEOHRSA-N 0 0 343.362 1.754 10 0 EDAERN NC(=O)CN1CCc2ccc(NC(=O)N[C@H]3CCCOC3)cc2C1 ZINC000333062817 141257717 /nfs/dbraw/zinc/25/77/17/141257717.db2.gz SUMBHTNYEWHTCE-HNNXBMFYSA-N 0 0 332.404 1.880 10 0 EDAERN NC(=O)CN1CCc2ccc(NC(=O)N[C@@H]3CCCOC3)cc2C1 ZINC000333062818 141257760 /nfs/dbraw/zinc/25/77/60/141257760.db2.gz SUMBHTNYEWHTCE-OAHLLOKOSA-N 0 0 332.404 1.880 10 0 EDAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1CCn2ccnc2C1 ZINC000333270958 141290800 /nfs/dbraw/zinc/29/08/00/141290800.db2.gz NSNQXKWUBPTNEA-KFWWJZLASA-N 0 0 330.432 1.353 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)CC1 ZINC000333703583 141361914 /nfs/dbraw/zinc/36/19/14/141361914.db2.gz FFQZVVHIMHAFIR-AEFFLSMTSA-N 0 0 337.464 1.844 10 0 EDAERN CCOCCN1CCN(C(=O)C(C)(C)C(=O)OCC)C[C@H]1CC ZINC000119932589 286083404 /nfs/dbraw/zinc/08/34/04/286083404.db2.gz YMUXZDIWUMPMEO-CQSZACIVSA-N 0 0 328.453 1.535 10 0 EDAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2)C12CCOCC2 ZINC000185153156 286393362 /nfs/dbraw/zinc/39/33/62/286393362.db2.gz LSIJYKUQVBTGLQ-LSDHHAIUSA-N 0 0 325.430 1.939 10 0 EDAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)CCc2cccc3c2OCO3)n1 ZINC000372396043 156367843 /nfs/dbraw/zinc/36/78/43/156367843.db2.gz GQJXSUSDXFXVCE-CHWSQXEVSA-N 0 0 345.355 1.374 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCNC(=O)c1ccco1 ZINC000078774836 287295443 /nfs/dbraw/zinc/29/54/43/287295443.db2.gz SQOKQEWUPSHDKZ-LBPRGKRZSA-N 0 0 344.371 1.336 10 0 EDAERN COCCN(Cc1ccco1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000079252207 287298991 /nfs/dbraw/zinc/29/89/91/287298991.db2.gz PXLUGSIVKORMKK-AWEZNQCLSA-N 0 0 325.409 1.158 10 0 EDAERN O=C(NCC1CC(O)C1)c1ccccc1I ZINC000084446946 287317608 /nfs/dbraw/zinc/31/76/08/287317608.db2.gz ACDULQPZSPHABN-UHFFFAOYSA-N 0 0 331.153 1.792 10 0 EDAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1CO ZINC000168547717 226217733 /nfs/dbraw/zinc/21/77/33/226217733.db2.gz RIAOQNRIAVUJFK-GXSJLCMTSA-N 0 0 334.199 1.980 10 0 EDAERN C[C@@H]1NC(=O)[C@@H](C2CC2)N(Cc2cncc(Br)c2)C1=O ZINC000168877761 226224331 /nfs/dbraw/zinc/22/43/31/226224331.db2.gz GQMIDUUISCDHKR-QPUJVOFHSA-N 0 0 338.205 1.470 10 0 EDAERN COc1ccc(-c2cc(N(C)C[C@@H](O)CN3CCCC3=O)n[nH]2)cc1 ZINC000125624363 287409262 /nfs/dbraw/zinc/40/92/62/287409262.db2.gz WRSOQDSIDLVNSS-CQSZACIVSA-N 0 0 344.415 1.505 10 0 EDAERN O=C(c1cnc([C@H]2CCCO2)s1)N1CCO[C@H](Cn2cccn2)C1 ZINC000127253920 287436055 /nfs/dbraw/zinc/43/60/55/287436055.db2.gz JBTURIFBZFABRR-QWHCGFSZSA-N 0 0 348.428 1.732 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000121277835 221804341 /nfs/dbraw/zinc/80/43/41/221804341.db2.gz ZPYUMBRSAGQKMG-OAHLLOKOSA-N 0 0 331.416 1.705 10 0 EDAERN COc1ccccc1S(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000122194815 222034967 /nfs/dbraw/zinc/03/49/67/222034967.db2.gz GSKFCCCKSOLYFZ-UHFFFAOYSA-N 0 0 348.428 1.750 10 0 EDAERN Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000122338942 222065594 /nfs/dbraw/zinc/06/55/94/222065594.db2.gz HPIZBXHFYLFMMN-GFCCVEGCSA-N 0 0 346.399 1.368 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cccc(Cl)n3)CC2)no1 ZINC000171863692 227323357 /nfs/dbraw/zinc/32/33/57/227323357.db2.gz BDGBDCSUGAGNTC-UHFFFAOYSA-N 0 0 335.795 1.775 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000131886333 287517980 /nfs/dbraw/zinc/51/79/80/287517980.db2.gz WUPNAICBUAJUEY-GUTXKFCHSA-N 0 0 325.453 1.334 10 0 EDAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)/C=C/c1cncc(O)c1 ZINC000182074118 267651527 /nfs/dbraw/zinc/65/15/27/267651527.db2.gz PWPYECMXIRMMOL-LKGOPFMKSA-N 0 0 342.395 1.837 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000195177139 267886497 /nfs/dbraw/zinc/88/64/97/267886497.db2.gz LMMXNPPCMALDKH-GFCCVEGCSA-N 0 0 330.366 1.682 10 0 EDAERN COc1ccccc1CCNC(=O)CSCc1nnnn1C(C)C ZINC000040753707 272909608 /nfs/dbraw/zinc/90/96/08/272909608.db2.gz XLGVVBRXHIQNKX-UHFFFAOYSA-N 0 0 349.460 1.855 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)CC1 ZINC000106393361 272920825 /nfs/dbraw/zinc/92/08/25/272920825.db2.gz REDGYTDBUIJJTE-KRWDZBQOSA-N 0 0 340.427 1.672 10 0 EDAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121215311 272925525 /nfs/dbraw/zinc/92/55/25/272925525.db2.gz AUHTWUKYTPDKSG-LLVKDONJSA-N 0 0 327.178 1.371 10 0 EDAERN O=C(NCC1CC(O)C1)c1ccc(I)c(O)c1 ZINC000236476119 287704200 /nfs/dbraw/zinc/70/42/00/287704200.db2.gz RDCZEKZQIBBQII-UHFFFAOYSA-N 0 0 347.152 1.498 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C\c1cncc(F)c1 ZINC000255892078 287852182 /nfs/dbraw/zinc/85/21/82/287852182.db2.gz ZJDUUVPFKRZHKE-DSYXLKISSA-N 0 0 331.351 1.623 10 0 EDAERN CC1(C)CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@@]2(CCCOC2)O1 ZINC000330078699 278313725 /nfs/dbraw/zinc/31/37/25/278313725.db2.gz NTKDDJUDTHACCW-RDTXWAMCSA-N 0 0 333.432 1.632 10 0 EDAERN CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)NCC(F)(F)CO ZINC000186093541 278388561 /nfs/dbraw/zinc/38/85/61/278388561.db2.gz AZTCABZOOWGZAA-CQSZACIVSA-N 0 0 336.379 1.910 10 0 EDAERN CC1(C)CCc2ccccc2[C@H]1NS(=O)(=O)CCS(C)(=O)=O ZINC000161800048 281144634 /nfs/dbraw/zinc/14/46/34/281144634.db2.gz BSJHHJCUZCGKJZ-CQSZACIVSA-N 0 0 345.486 1.664 10 0 EDAERN CCn1ccnc1CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000111233120 288717689 /nfs/dbraw/zinc/71/76/89/288717689.db2.gz VEVWKDCSWCKBNL-ZIAGYGMSSA-N 0 0 327.450 1.071 10 0 EDAERN CN(C)C(=O)CCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000193925987 288943450 /nfs/dbraw/zinc/94/34/50/288943450.db2.gz ARWKMZRAYDOPQX-LRDDRELGSA-N 0 0 344.477 1.170 10 0 EDAERN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000154463106 288961041 /nfs/dbraw/zinc/96/10/41/288961041.db2.gz MOJITIYKAOCCAQ-HNNXBMFYSA-N 0 0 331.416 1.021 10 0 EDAERN C[C@@]1(c2ccccc2)CN(c2nn3c(nccc3=O)s2)CCO1 ZINC000162441838 289217010 /nfs/dbraw/zinc/21/70/10/289217010.db2.gz OQXOVHVAOAXHQN-INIZCTEOSA-N 0 0 328.397 1.903 10 0 EDAERN C[C@H](CS(=O)(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330041180 289712864 /nfs/dbraw/zinc/71/28/64/289712864.db2.gz GDSCNCDNGASCFC-INMHGKMJSA-N 0 0 339.457 2.000 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000124902316 293002364 /nfs/dbraw/zinc/00/23/64/293002364.db2.gz WYDVHLFZQBVBBD-HUUCEWRRSA-N 0 0 348.403 1.319 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000081579161 293520801 /nfs/dbraw/zinc/52/08/01/293520801.db2.gz LIVXOAMKNGZCDX-UKRRQHHQSA-N 0 0 325.372 1.731 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000180394147 293522316 /nfs/dbraw/zinc/52/23/16/293522316.db2.gz XTZAAPNOLKKEKA-CQSZACIVSA-N 0 0 337.387 1.647 10 0 EDAERN O=C(NCC1([C@@H](O)c2ccccc2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000127676082 295633285 /nfs/dbraw/zinc/63/32/85/295633285.db2.gz MLOPQFJUGIWSSI-HOCLYGCPSA-N 0 0 341.415 1.406 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000248946545 302763400 /nfs/dbraw/zinc/76/34/00/302763400.db2.gz OXUYVKGDICHEQT-IHRRRGAJSA-N 0 0 327.450 1.681 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N(Cc2ccco2)C2CC2)n(C)c1 ZINC000044710560 440876808 /nfs/dbraw/zinc/87/68/08/440876808.db2.gz MQGRIKZSUYNLDZ-UHFFFAOYSA-N 0 0 337.401 1.331 10 0 EDAERN C[C@H](NC(=O)NCC1(O)CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000080551222 441178844 /nfs/dbraw/zinc/17/88/44/441178844.db2.gz JJBOGARCHJOABM-AWEZNQCLSA-N 0 0 344.415 1.774 10 0 EDAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000104035783 441188421 /nfs/dbraw/zinc/18/84/21/441188421.db2.gz NPGYSKQRHJJIPG-SNPRPXQTSA-N 0 0 344.419 1.537 10 0 EDAERN C[C@@H](NC(=O)NCC(=O)N(C)C)c1ccccc1Br ZINC000047913238 441236158 /nfs/dbraw/zinc/23/61/58/441236158.db2.gz DKFGVTPRCUWFMA-SECBINFHSA-N 0 0 328.210 1.898 10 0 EDAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCS[C@@H](C)C1 ZINC000104901264 441220138 /nfs/dbraw/zinc/22/01/38/441220138.db2.gz FVJVKFSRVCBQAD-JSGCOSHPSA-N 0 0 346.460 1.817 10 0 EDAERN CCOC(=O)CC[C@H](NC(=O)CSC(F)(F)F)C(=O)OCC ZINC000072288593 441221565 /nfs/dbraw/zinc/22/15/65/441221565.db2.gz RVSCICZZJJZMJI-QMMMGPOBSA-N 0 0 345.339 1.631 10 0 EDAERN C[C@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000047978148 441245279 /nfs/dbraw/zinc/24/52/79/441245279.db2.gz QFXSQFNRJAGKGC-JTQLQIEISA-N 0 0 339.442 1.956 10 0 EDAERN O=C(c1cc(Br)c[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000105569737 441259578 /nfs/dbraw/zinc/25/95/78/441259578.db2.gz ALDJWFWOMWUULK-LLVKDONJSA-N 0 0 328.210 1.324 10 0 EDAERN Cc1nn(C)c2ncc(NC(=O)NC[C@@H](C)N3CCOCC3)cc12 ZINC000061402439 441271237 /nfs/dbraw/zinc/27/12/37/441271237.db2.gz PPTQCBIRCBLYJV-LLVKDONJSA-N 0 0 332.408 1.119 10 0 EDAERN Cc1nccn1-c1cc(CNC(=O)c2ccnc(N(C)C)c2)ccn1 ZINC000048238923 441277098 /nfs/dbraw/zinc/27/70/98/441277098.db2.gz XGEPYEFLOPIDCZ-UHFFFAOYSA-N 0 0 336.399 1.967 10 0 EDAERN COCCN1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@H]1C ZINC000105832931 441285657 /nfs/dbraw/zinc/28/56/57/441285657.db2.gz MLMAFPMFIUUVJR-CYBMUJFWSA-N 0 0 338.452 1.563 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1Cn1cncn1 ZINC000081584991 441294053 /nfs/dbraw/zinc/29/40/53/441294053.db2.gz DADUGSCUSFBFAC-HNNXBMFYSA-N 0 0 337.387 1.491 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1nncn1-c1ccccc1 ZINC000063290072 441323389 /nfs/dbraw/zinc/32/33/89/441323389.db2.gz UXHVBWDQBMTGMD-CQSZACIVSA-N 0 0 345.403 1.654 10 0 EDAERN COC(=O)C1(NC(=O)CN2CCO[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000063567734 441337973 /nfs/dbraw/zinc/33/79/73/441337973.db2.gz MCXXRWQBNGJHEI-HUUCEWRRSA-N 0 0 338.448 1.622 10 0 EDAERN CC(C)CNC(=O)[C@H](C)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866108 441296716 /nfs/dbraw/zinc/29/67/16/441296716.db2.gz FYAWZMNSKRBCBS-INIZCTEOSA-N 0 0 349.523 1.916 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000105865826 441296725 /nfs/dbraw/zinc/29/67/25/441296725.db2.gz OGUJSGMWMATXQZ-QGZVFWFLSA-N 0 0 349.523 1.705 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3ccoc3C(=O)OC)CC2)n1 ZINC000105868471 441298753 /nfs/dbraw/zinc/29/87/53/441298753.db2.gz OKPPKFYFILHHFC-UHFFFAOYSA-N 0 0 346.387 1.577 10 0 EDAERN CCCS(=O)(=O)CCN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885491 441307381 /nfs/dbraw/zinc/30/73/81/441307381.db2.gz JAWSUSUQEAEGNK-HNNXBMFYSA-N 0 0 328.482 1.432 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000105913605 441314699 /nfs/dbraw/zinc/31/46/99/441314699.db2.gz OVCTWKALDGDWFW-GJZGRUSLSA-N 0 0 348.447 1.376 10 0 EDAERN CC(=O)Nc1cccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000083698980 441369198 /nfs/dbraw/zinc/36/91/98/441369198.db2.gz LHQSPKXBTFXQHZ-HNNXBMFYSA-N 0 0 342.403 1.879 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1c(F)cccc1F ZINC000083754994 441374907 /nfs/dbraw/zinc/37/49/07/441374907.db2.gz OYUNOFOBOKOQQM-NSHDSACASA-N 0 0 335.314 1.455 10 0 EDAERN CCCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000028002103 441421466 /nfs/dbraw/zinc/42/14/66/441421466.db2.gz ZEOOHOYBACLRFT-CJNGLKHVSA-N 0 0 333.432 1.474 10 0 EDAERN C[C@@H](NC(=O)CC[C@@H]1CCCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000110604888 441518844 /nfs/dbraw/zinc/51/88/44/441518844.db2.gz GSCXMFRDTIEFTI-OCCSQVGLSA-N 0 0 340.445 1.861 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000088816926 441524106 /nfs/dbraw/zinc/52/41/06/441524106.db2.gz BWLFAKGFAGHFDN-LBPRGKRZSA-N 0 0 349.341 1.709 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(F)ccc1F ZINC000088816820 441524540 /nfs/dbraw/zinc/52/45/40/441524540.db2.gz AHBIUGRPHKASLA-LLVKDONJSA-N 0 0 349.341 1.709 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000075528788 441530239 /nfs/dbraw/zinc/53/02/39/441530239.db2.gz HKBULGSMLFXJRW-NHYWBVRUSA-N 0 0 334.397 1.896 10 0 EDAERN N#Cc1ccc(OCCCCC[NH2+]CCSS(=O)(=O)[O-])nc1 ZINC000031600652 441531380 /nfs/dbraw/zinc/53/13/80/441531380.db2.gz DHNRXCVJLHOLKS-UHFFFAOYSA-N 0 0 345.446 1.628 10 0 EDAERN O=C(NCc1ccccc1-n1ccnc1)N[C@H]1CCc2ncnn2C1 ZINC000112745899 441558085 /nfs/dbraw/zinc/55/80/85/441558085.db2.gz HCVPMARLYQDELL-AWEZNQCLSA-N 0 0 337.387 1.278 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC1(C(N)=O)CCCCC1 ZINC000112875227 441563040 /nfs/dbraw/zinc/56/30/40/441563040.db2.gz VEFHXXLPTFHVPU-LBPRGKRZSA-N 0 0 332.404 1.501 10 0 EDAERN O=Cc1cccc(OCC(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000113183028 441586081 /nfs/dbraw/zinc/58/60/81/441586081.db2.gz OCKUXIVFPVVMSV-CQSZACIVSA-N 0 0 332.381 1.935 10 0 EDAERN C[C@H](CNC(=O)c1ccc(OCC(F)F)nc1)N1CCOCC1 ZINC000090167649 441624500 /nfs/dbraw/zinc/62/45/00/441624500.db2.gz SQOVDOPOQKSGQR-LLVKDONJSA-N 0 0 329.347 1.176 10 0 EDAERN Cc1cnc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)cn1 ZINC000113859247 441626030 /nfs/dbraw/zinc/62/60/30/441626030.db2.gz YAOYTYAONWWHPN-UHFFFAOYSA-N 0 0 342.447 1.695 10 0 EDAERN COCc1nn2c(nc(COC(=O)c3cccc(F)c3)cc2=O)s1 ZINC000041077302 441631734 /nfs/dbraw/zinc/63/17/34/441631734.db2.gz KAVXGNPKQAZIHR-UHFFFAOYSA-N 0 0 349.343 1.794 10 0 EDAERN CCn1c(C)nnc1CSCc1noc(CCCC(=O)OC)n1 ZINC000091029917 441651891 /nfs/dbraw/zinc/65/18/91/441651891.db2.gz OWDBTNVIQDMDRR-UHFFFAOYSA-N 0 0 339.421 1.919 10 0 EDAERN C[C@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000091091744 441660241 /nfs/dbraw/zinc/66/02/41/441660241.db2.gz RONYPOQXBMMSKR-IUODEOHRSA-N 0 0 326.824 1.600 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1cn[nH]c1)N1CC(=O)Nc2ccccc21 ZINC000114482902 441662990 /nfs/dbraw/zinc/66/29/90/441662990.db2.gz DWSDTJIKOFSPIX-OAHLLOKOSA-N 0 0 339.399 1.922 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000076600878 441664550 /nfs/dbraw/zinc/66/45/50/441664550.db2.gz IIIWMBGAEPWHSA-NSHDSACASA-N 0 0 341.770 1.545 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)Oc1ccccc1)CC2 ZINC000114969014 441706933 /nfs/dbraw/zinc/70/69/33/441706933.db2.gz XOXRQYGDRSWEMS-UONOGXRCSA-N 0 0 343.431 1.922 10 0 EDAERN C[C@H](CNC(=O)N(C)[C@@H]1CCc2ccccc2C1)N1CCOCC1 ZINC000114587125 441668909 /nfs/dbraw/zinc/66/89/09/441668909.db2.gz MZQDCQFMZOYVRM-CRAIPNDOSA-N 0 0 331.460 1.906 10 0 EDAERN CC(C)(C)C(=O)NCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121565768 441732687 /nfs/dbraw/zinc/73/26/87/441732687.db2.gz POAYLVSPLCMXLJ-GUYCJALGSA-N 0 0 325.453 1.485 10 0 EDAERN Cc1cc(CNC(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)on1 ZINC000115671273 441768811 /nfs/dbraw/zinc/76/88/11/441768811.db2.gz AYTLGEINZZIUIB-UHFFFAOYSA-N 0 0 346.435 1.361 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1N1CCCC1 ZINC000158480247 441739281 /nfs/dbraw/zinc/73/92/81/441739281.db2.gz WDJJCGGMRIGWER-RHSMWYFYSA-N 0 0 345.443 1.893 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000091780662 441740534 /nfs/dbraw/zinc/74/05/34/441740534.db2.gz GOIGOUQVKZOBJD-LBPRGKRZSA-N 0 0 346.305 1.231 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000091785475 441742271 /nfs/dbraw/zinc/74/22/71/441742271.db2.gz ISADDCCRLRBBKO-KRWDZBQOSA-N 0 0 346.427 1.972 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CSCc1cccc(Cl)c1 ZINC000091782553 441742680 /nfs/dbraw/zinc/74/26/80/441742680.db2.gz LFQNTBILOYTGLU-LBPRGKRZSA-N 0 0 328.821 1.286 10 0 EDAERN Cc1ccccc1[C@@H]1CCCN1C(=O)C1CCN(CC(N)=O)CC1 ZINC000091858860 441749533 /nfs/dbraw/zinc/74/95/33/441749533.db2.gz VBJCONRXLAXDSS-KRWDZBQOSA-N 0 0 329.444 1.856 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)NCc3ccccc3C)CCO2)[nH]1 ZINC000173665983 441819136 /nfs/dbraw/zinc/81/91/36/441819136.db2.gz LBDHWQBOQPGRGD-OAHLLOKOSA-N 0 0 329.404 1.111 10 0 EDAERN CCN(C)S(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000173509241 441773601 /nfs/dbraw/zinc/77/36/01/441773601.db2.gz NOTMVPPWGJYGHV-UHFFFAOYSA-N 0 0 332.495 1.156 10 0 EDAERN COc1ccc(Cl)cc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173527964 441778080 /nfs/dbraw/zinc/77/80/80/441778080.db2.gz XNADRGVKBDNVNR-CYBMUJFWSA-N 0 0 336.779 1.989 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)COCCOc3ccccc3)C2)cn1 ZINC000116115519 441793646 /nfs/dbraw/zinc/79/36/46/441793646.db2.gz OADWVNRSQVUWFC-OAHLLOKOSA-N 0 0 329.400 1.832 10 0 EDAERN CCc1csc([C@@H]2CCCN(C(=O)NCc3ncn(C)n3)C2)n1 ZINC000092377050 441794337 /nfs/dbraw/zinc/79/43/37/441794337.db2.gz HOJCUGKZPBJWHB-LLVKDONJSA-N 0 0 334.449 1.923 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)[nH]1 ZINC000173569075 441794535 /nfs/dbraw/zinc/79/45/35/441794535.db2.gz KWSGEVWZXNKLLC-CYBMUJFWSA-N 0 0 333.392 1.505 10 0 EDAERN CN(CC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C(=O)c1cccs1 ZINC000116124256 441794966 /nfs/dbraw/zinc/79/49/66/441794966.db2.gz WWEXSBYRVAUFPR-GFCCVEGCSA-N 0 0 332.429 1.570 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)n1 ZINC000173585055 441799333 /nfs/dbraw/zinc/79/93/33/441799333.db2.gz NWJJMFHNRXCWOD-LLVKDONJSA-N 0 0 345.490 1.485 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccc(C)cc1 ZINC000116207545 441801336 /nfs/dbraw/zinc/80/13/36/441801336.db2.gz SXJMZSTZIRXTKW-INIZCTEOSA-N 0 0 338.473 1.858 10 0 EDAERN CC(=O)Nc1ccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173602741 441802787 /nfs/dbraw/zinc/80/27/87/441802787.db2.gz QQPYWSDQGIAJKE-AWEZNQCLSA-N 0 0 329.360 1.285 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3cccc(Cl)c3)C2)cn1 ZINC000116229277 441803164 /nfs/dbraw/zinc/80/31/64/441803164.db2.gz FCKWZPXRJOSUQE-ZDUSSCGKSA-N 0 0 346.818 1.819 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Cc3cc4ccccc4[nH]c3=O)C2)cn1 ZINC000116229025 441803788 /nfs/dbraw/zinc/80/37/88/441803788.db2.gz JHDBXBSSAHJSMC-AWEZNQCLSA-N 0 0 336.395 1.820 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccnc1OCC(F)F ZINC000122716234 441860512 /nfs/dbraw/zinc/86/05/12/441860512.db2.gz ICZYZLCRINEXJY-LLVKDONJSA-N 0 0 342.346 1.810 10 0 EDAERN Cc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1Br ZINC000093204935 441865657 /nfs/dbraw/zinc/86/56/57/441865657.db2.gz GTIQLLNLICFFDF-GFCCVEGCSA-N 0 0 327.222 1.818 10 0 EDAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cn(C(C)(C)CO)cn1 ZINC000117135148 441866040 /nfs/dbraw/zinc/86/60/40/441866040.db2.gz OHZSGLWVFPMMLL-JTQLQIEISA-N 0 0 326.397 1.462 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(Br)cn2)C[C@@H]1C ZINC000117288521 441868091 /nfs/dbraw/zinc/86/80/91/441868091.db2.gz RMYPCWVZBNGJJE-NSHDSACASA-N 0 0 342.237 1.637 10 0 EDAERN COCCN1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)C[C@@H]1C ZINC000117296608 441869327 /nfs/dbraw/zinc/86/93/27/441869327.db2.gz WFGFNSGFLAZQPZ-ZDUSSCGKSA-N 0 0 347.415 1.965 10 0 EDAERN CCc1nc(C2(NCc3cc(=O)n4nccc4[nH]3)CCCC2)no1 ZINC000173692245 441825861 /nfs/dbraw/zinc/82/58/61/441825861.db2.gz XNJDUUYWTRXUQX-UHFFFAOYSA-N 0 0 328.376 1.527 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(F)c3)C2)cn1 ZINC000116587647 441833275 /nfs/dbraw/zinc/83/32/75/441833275.db2.gz MJKGGZJDZNPQCG-JTQLQIEISA-N 0 0 334.326 1.653 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000173745745 441833674 /nfs/dbraw/zinc/83/36/74/441833674.db2.gz PTGJENPVXJFQKB-CQSZACIVSA-N 0 0 337.449 1.395 10 0 EDAERN O=C(NCCCOC1CCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173797322 441842291 /nfs/dbraw/zinc/84/22/91/441842291.db2.gz CDTOXVCUQIDNRE-HNNXBMFYSA-N 0 0 325.453 1.452 10 0 EDAERN COc1ccc([C@H](C)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000173810237 441843094 /nfs/dbraw/zinc/84/30/94/441843094.db2.gz RNOLNWORPJZMTJ-MPGHIAIKSA-N 0 0 332.444 1.978 10 0 EDAERN CCOc1ccc(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173813813 441844324 /nfs/dbraw/zinc/84/43/24/441844324.db2.gz DMXYCHASSNWTDQ-MAUKXSAKSA-N 0 0 332.444 1.807 10 0 EDAERN CCc1nn(C)c(OC)c1CNC1=NS(=O)(=O)c2ccccc21 ZINC000092962345 441844490 /nfs/dbraw/zinc/84/44/90/441844490.db2.gz LCGUAQJWGYIGJC-UHFFFAOYSA-N 0 0 334.401 1.230 10 0 EDAERN CC(C)COc1ncccc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173832514 441847513 /nfs/dbraw/zinc/84/75/13/441847513.db2.gz VCOKZOMRKVXRCN-RDJZCZTQSA-N 0 0 347.459 1.909 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCN1CCOC ZINC000117526724 441874191 /nfs/dbraw/zinc/87/41/91/441874191.db2.gz LEYKDMHEDRMXKI-ZDUSSCGKSA-N 0 0 337.395 1.333 10 0 EDAERN CCO[C@H]1C[C@H](N(C)S(=O)(=O)N(C)CCOC)C12CCCC2 ZINC000122521172 441852874 /nfs/dbraw/zinc/85/28/74/441852874.db2.gz OFGJNKUZUKGKTA-KBPBESRZSA-N 0 0 334.482 1.479 10 0 EDAERN CCc1noc2ncc(C(=O)N3C[C@@H](C)[C@H](N4CCOCC4)C3)cc12 ZINC000173877547 441854733 /nfs/dbraw/zinc/85/47/33/441854733.db2.gz MAXATOJVVBVDIG-MLGOLLRUSA-N 0 0 344.415 1.578 10 0 EDAERN COc1ccccc1CCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173884027 441856066 /nfs/dbraw/zinc/85/60/66/441856066.db2.gz LGLUEKUSTAUSFJ-WBVHZDCISA-N 0 0 332.444 1.807 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CCn1cncn1 ZINC000174214553 441903234 /nfs/dbraw/zinc/90/32/34/441903234.db2.gz KBQRIOIXPNWTAH-STQMWFEESA-N 0 0 337.424 1.478 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccnc(Cl)n2)C1 ZINC000095083155 441909924 /nfs/dbraw/zinc/90/99/24/441909924.db2.gz GXTBHGQCQINDAJ-VIFPVBQESA-N 0 0 347.824 1.913 10 0 EDAERN Cc1ccnc(S(=O)(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090379 441910111 /nfs/dbraw/zinc/91/01/11/441910111.db2.gz PIMXNBJSLZCMDK-LBPRGKRZSA-N 0 0 341.433 1.816 10 0 EDAERN CCO[C@H](CCNC(=O)N1CC[C@H](N2CCOCC2)C1)C(C)C ZINC000174334744 441913826 /nfs/dbraw/zinc/91/38/26/441913826.db2.gz QYAAFXSZDWBKEG-JKSUJKDBSA-N 0 0 327.469 1.554 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000118056125 441884642 /nfs/dbraw/zinc/88/46/42/441884642.db2.gz GLTHBYBUSPUOMN-UHFFFAOYSA-N 0 0 341.415 1.818 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H]2CCCn3ncnc32)c1C ZINC000123335993 441885066 /nfs/dbraw/zinc/88/50/66/441885066.db2.gz JGNZYVAZFSTMKB-CQSZACIVSA-N 0 0 348.428 1.563 10 0 EDAERN O=C1N[C@H](c2cccc(OCc3ccccn3)c2)N2CCOC[C@@H]12 ZINC000093884829 441898846 /nfs/dbraw/zinc/89/88/46/441898846.db2.gz OMULVSHLHCUHON-IRXDYDNUSA-N 0 0 325.368 1.490 10 0 EDAERN COCCN1CCN(C(=O)NCCc2ccc(Cl)nc2)C[C@H]1C ZINC000119303048 441928202 /nfs/dbraw/zinc/92/82/02/441928202.db2.gz FLKKGICQBRDYTN-CYBMUJFWSA-N 0 0 340.855 1.640 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000150941509 441978143 /nfs/dbraw/zinc/97/81/43/441978143.db2.gz DAVXGXICDVATLW-CQSZACIVSA-N 0 0 332.404 1.048 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119629048 441945096 /nfs/dbraw/zinc/94/50/96/441945096.db2.gz JCQWKMMHMIFDBF-OAHLLOKOSA-N 0 0 338.415 1.922 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(-c3nnc(C)o3)c2)CC1 ZINC000174671822 441952670 /nfs/dbraw/zinc/95/26/70/441952670.db2.gz RCOSDPJLQNWDGK-INIZCTEOSA-N 0 0 344.415 1.574 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)Oc1ccccc1F ZINC000175004558 441994147 /nfs/dbraw/zinc/99/41/47/441994147.db2.gz BOWPZJKBWMVEMG-ZIAGYGMSSA-N 0 0 339.411 1.613 10 0 EDAERN Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000150985857 441985801 /nfs/dbraw/zinc/98/58/01/441985801.db2.gz JJOOZOIRRLIFBT-DLBZAZTESA-N 0 0 332.444 1.711 10 0 EDAERN O=C(Nc1ccc2ncccc2c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000078991240 442005088 /nfs/dbraw/zinc/00/50/88/442005088.db2.gz UEHJOYXFTPYQFG-BBRMVZONSA-N 0 0 327.384 1.841 10 0 EDAERN COc1cccc(O[C@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000175121335 442006945 /nfs/dbraw/zinc/00/69/45/442006945.db2.gz YYBZYSALGRLOFZ-OLZOCXBDSA-N 0 0 345.403 1.368 10 0 EDAERN CNc1ncc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)s1 ZINC000161806284 442034091 /nfs/dbraw/zinc/03/40/91/442034091.db2.gz CBMYGDVCBNYDAA-NSHDSACASA-N 0 0 332.433 1.716 10 0 EDAERN COC(=O)C[C@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CCO1 ZINC000175477534 442071165 /nfs/dbraw/zinc/07/11/65/442071165.db2.gz WSQKSASQKLDBKD-PWSUYJOCSA-N 0 0 342.342 1.999 10 0 EDAERN CCCn1cc(CN2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000120486809 442081508 /nfs/dbraw/zinc/08/15/08/442081508.db2.gz SIQVBYLZVBDPBT-UHFFFAOYSA-N 0 0 326.408 1.053 10 0 EDAERN O=C(c1sccc1-n1cnnn1)N1CC[C@H](Oc2cccnc2)C1 ZINC000151570533 442086905 /nfs/dbraw/zinc/08/69/05/442086905.db2.gz UNSXPXGURLKENK-LBPRGKRZSA-N 0 0 342.384 1.412 10 0 EDAERN C[C@H](NCC(=O)N1CCNC1=O)c1ccccc1Br ZINC000120529192 442089366 /nfs/dbraw/zinc/08/93/66/442089366.db2.gz NJLMGWGBMZCHKQ-VIFPVBQESA-N 0 0 326.194 1.652 10 0 EDAERN Cc1ccc(CNC(=O)NCC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175711643 442110169 /nfs/dbraw/zinc/11/01/69/442110169.db2.gz OYJPQFLFJNKROT-AWEZNQCLSA-N 0 0 342.403 1.037 10 0 EDAERN C[C@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000126626235 442127865 /nfs/dbraw/zinc/12/78/65/442127865.db2.gz YKHXNZPZGBQNRU-JTQLQIEISA-N 0 0 348.428 1.427 10 0 EDAERN CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1ccccc1C)CC2 ZINC000162951202 442133817 /nfs/dbraw/zinc/13/38/17/442133817.db2.gz SWDMNOKFHLQNLN-SUMWQHHRSA-N 0 0 328.416 1.968 10 0 EDAERN O=C(Nc1ccccc1N1CCCCCC1)C(=O)N1CCC[C@H]1CO ZINC000121023477 442166904 /nfs/dbraw/zinc/16/69/04/442166904.db2.gz GQATTXNHTOHCLV-HNNXBMFYSA-N 0 0 345.443 1.989 10 0 EDAERN Cc1cc(C)c2ncc(C(=O)N[C@@H]3CCc4ncnn4C3)c(O)c2c1 ZINC000163543494 442173200 /nfs/dbraw/zinc/17/32/00/442173200.db2.gz BNYVRTIAXXNIAK-GFCCVEGCSA-N 0 0 337.383 1.894 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)N1CCc2cccc(C)c21 ZINC000163572290 442174640 /nfs/dbraw/zinc/17/46/40/442174640.db2.gz MJBNPDVPAQCLFP-CQSZACIVSA-N 0 0 330.384 1.438 10 0 EDAERN CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000127344963 442195573 /nfs/dbraw/zinc/19/55/73/442195573.db2.gz PKOHRAQLKHKAGA-CYBMUJFWSA-N 0 0 349.435 1.574 10 0 EDAERN Cn1cc([C@]2(C)CN(C(=O)Cc3cn4ccccc4n3)CCO2)cn1 ZINC000127358289 442196197 /nfs/dbraw/zinc/19/61/97/442196197.db2.gz STEZBTCEWMDLKA-SFHVURJKSA-N 0 0 339.399 1.385 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000121257366 442196762 /nfs/dbraw/zinc/19/67/62/442196762.db2.gz WULUQJCSJLEPOM-OAHLLOKOSA-N 0 0 339.395 1.905 10 0 EDAERN COc1cccc([C@H](O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000121317570 442201842 /nfs/dbraw/zinc/20/18/42/442201842.db2.gz PBUNRXYHPHLJDF-CJNGLKHVSA-N 0 0 344.415 1.575 10 0 EDAERN O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)N1CCC[C@H]1CO ZINC000120904660 442150577 /nfs/dbraw/zinc/15/05/77/442150577.db2.gz COXDQEKXCAMOTH-NSHDSACASA-N 0 0 346.305 1.550 10 0 EDAERN COc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OCC(N)=O ZINC000126914141 442153231 /nfs/dbraw/zinc/15/32/31/442153231.db2.gz PMPINKZAZYKYQT-QWRGUYRKSA-N 0 0 342.823 1.822 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000152034511 442156495 /nfs/dbraw/zinc/15/64/95/442156495.db2.gz VQPZSVZNTHBDHX-ZBFHGGJFSA-N 0 0 342.374 1.704 10 0 EDAERN CNc1ncc(C(=O)N2CCC(N(C)c3cccnn3)CC2)s1 ZINC000152961033 442253590 /nfs/dbraw/zinc/25/35/90/442253590.db2.gz LHLHMKZPMTYUPX-UHFFFAOYSA-N 0 0 332.433 1.716 10 0 EDAERN O=C(C[C@H]1CCCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000176293937 442206084 /nfs/dbraw/zinc/20/60/84/442206084.db2.gz CHRPWARXNCORLT-MSOLQXFVSA-N 0 0 332.444 1.823 10 0 EDAERN CCOCCN1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1CC ZINC000152975347 442254586 /nfs/dbraw/zinc/25/45/86/442254586.db2.gz BVNUAXGEIFEORB-CQSZACIVSA-N 0 0 348.509 1.159 10 0 EDAERN COc1cc(C)c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000121373494 442209430 /nfs/dbraw/zinc/20/94/30/442209430.db2.gz MKLUDNXJVNMSSF-GOEBONIOSA-N 0 0 348.443 1.805 10 0 EDAERN COC[C@@H](C)C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000121396118 442211787 /nfs/dbraw/zinc/21/17/87/442211787.db2.gz YUHLXAYRXSLYOB-MRXNPFEDSA-N 0 0 348.443 1.636 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccccc1OC ZINC000152458702 442215960 /nfs/dbraw/zinc/21/59/60/442215960.db2.gz QZSKTLFWVUXXLX-ZDUSSCGKSA-N 0 0 345.403 1.767 10 0 EDAERN CCOC(=O)CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000127681196 442218900 /nfs/dbraw/zinc/21/89/00/442218900.db2.gz HALYNPPOQRWIFL-UONOGXRCSA-N 0 0 349.435 1.358 10 0 EDAERN COc1ccc([C@@H](C)CCNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000176438110 442221767 /nfs/dbraw/zinc/22/17/67/442221767.db2.gz QITHQTHIZAEKRY-WMLDXEAASA-N 0 0 335.448 1.819 10 0 EDAERN COc1ccccc1CNC(=O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152535969 442223393 /nfs/dbraw/zinc/22/33/93/442223393.db2.gz OCIUIHDVSHJFFQ-KRWDZBQOSA-N 0 0 341.411 1.860 10 0 EDAERN O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127789885 442225276 /nfs/dbraw/zinc/22/52/76/442225276.db2.gz XKVNNNMRXJIIKA-AWEZNQCLSA-N 0 0 337.387 1.411 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cnns1 ZINC000176540663 442232002 /nfs/dbraw/zinc/23/20/02/442232002.db2.gz GJPSQUPVOZKBDX-LLVKDONJSA-N 0 0 338.458 1.745 10 0 EDAERN COc1ccc(NC(=O)C[S@@](=O)Cc2nnnn2C(C)C)cc1 ZINC000176570273 442235423 /nfs/dbraw/zinc/23/54/23/442235423.db2.gz UPKFXZWBEMUDJD-QHCPKHFHSA-N 0 0 337.405 1.150 10 0 EDAERN CNC(=O)CC[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000170781087 442262572 /nfs/dbraw/zinc/26/25/72/442262572.db2.gz ITBVGKCJZAWEMQ-GFCCVEGCSA-N 0 0 345.237 1.257 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Cc3cc(F)c(F)cc3F)CCO2)[nH]1 ZINC000128399186 442263995 /nfs/dbraw/zinc/26/39/95/442263995.db2.gz WBOHTFCADQMPOK-ZDUSSCGKSA-N 0 0 340.305 1.673 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(-c2nccn2C)c1)[C@@H]1CCCO1 ZINC000176950926 442277279 /nfs/dbraw/zinc/27/72/79/442277279.db2.gz LGQGLDGPSRVAPX-WFASDCNBSA-N 0 0 342.399 1.709 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000176991497 442281622 /nfs/dbraw/zinc/28/16/22/442281622.db2.gz WUUZLLWMSRIFHL-DOMZBBRYSA-N 0 0 328.409 1.167 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCCNC(=O)C2CCC2)cn1 ZINC000177020094 442286304 /nfs/dbraw/zinc/28/63/04/442286304.db2.gz QVHXHPXTKBYPPG-HNNXBMFYSA-N 0 0 333.436 1.573 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000153527539 442287430 /nfs/dbraw/zinc/28/74/30/442287430.db2.gz OYNWUMXFTNRKOY-OAHLLOKOSA-N 0 0 336.461 1.618 10 0 EDAERN CCc1nc(C2(NC(=O)[C@@H](CC)N3CCCC3=O)CCCC2)no1 ZINC000177071126 442294170 /nfs/dbraw/zinc/29/41/70/442294170.db2.gz MURNBSUFYABHDO-GFCCVEGCSA-N 0 0 334.420 1.919 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccc(OC)cc3OC)CCO2)[nH]1 ZINC000129071822 442299859 /nfs/dbraw/zinc/29/98/59/442299859.db2.gz CQTGIMSYHNNEAQ-HNNXBMFYSA-N 0 0 332.404 1.958 10 0 EDAERN CCc1noc(-c2ccc(CCNC(=O)[C@H]3CNC(=O)C3)cc2)n1 ZINC000171022867 442300475 /nfs/dbraw/zinc/30/04/75/442300475.db2.gz DUKYCVCFTCEMEF-CYBMUJFWSA-N 0 0 328.372 1.094 10 0 EDAERN CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000154145849 442323959 /nfs/dbraw/zinc/32/39/59/442323959.db2.gz KMZNFFXKQNJWHD-GDBMZVCRSA-N 0 0 334.416 1.482 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccc(-c2ncon2)cc1)N1CCOCC1 ZINC000171187037 442324091 /nfs/dbraw/zinc/32/40/91/442324091.db2.gz AASQOUMSAHYKFD-LBPRGKRZSA-N 0 0 331.376 1.579 10 0 EDAERN CCCOc1cccc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000154295544 442331019 /nfs/dbraw/zinc/33/10/19/442331019.db2.gz ZFMGGRIPUBHFRO-OAHLLOKOSA-N 0 0 343.431 1.924 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(C(N)=O)s3)C2)no1 ZINC000171235651 442332223 /nfs/dbraw/zinc/33/22/23/442332223.db2.gz PXANWEHKRHHCCO-SNVBAGLBSA-N 0 0 334.401 1.633 10 0 EDAERN Cc1nccn1C[C@H](C)CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177471512 442345578 /nfs/dbraw/zinc/34/55/78/442345578.db2.gz WWJQWUVMFJCUED-GDBMZVCRSA-N 0 0 330.436 1.898 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000154576962 442346687 /nfs/dbraw/zinc/34/66/87/442346687.db2.gz XZKVWYSFPMDILS-AAEUAGOBSA-N 0 0 340.855 1.429 10 0 EDAERN CCN(Cc1nnc(C)n1CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000154683041 442351841 /nfs/dbraw/zinc/35/18/41/442351841.db2.gz YFZUVWWXUBLNBL-UHFFFAOYSA-N 0 0 326.404 1.865 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCCc3csc(C)n3)CCO2)[nH]1 ZINC000177524024 442353173 /nfs/dbraw/zinc/35/31/73/442353173.db2.gz SPXFJXTTXCBQMZ-ZDUSSCGKSA-N 0 0 335.433 1.801 10 0 EDAERN CCc1c(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cnn1CC(C)C ZINC000154002102 442316052 /nfs/dbraw/zinc/31/60/52/442316052.db2.gz LBHOENQLRARHLX-OAHLLOKOSA-N 0 0 346.435 1.742 10 0 EDAERN C[C@H]1C[N@H+](CC(=O)N(C)CC2CCCCC2)C[C@@H]1N1CCOCC1 ZINC000177235248 442317090 /nfs/dbraw/zinc/31/70/90/442317090.db2.gz HODPTFRJPVKMGO-WMZOPIPTSA-N 0 0 337.508 1.678 10 0 EDAERN CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177625650 442364072 /nfs/dbraw/zinc/36/40/72/442364072.db2.gz MXDUGNDOZFMLOH-FZMZJTMJSA-N 0 0 343.387 1.055 10 0 EDAERN CCNC(=O)CCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171670091 442368194 /nfs/dbraw/zinc/36/81/94/442368194.db2.gz QNHYYWAFTYTOEZ-LBPRGKRZSA-N 0 0 340.445 1.574 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCOCc1ccccc1 ZINC000154990368 442369058 /nfs/dbraw/zinc/36/90/58/442369058.db2.gz YKCQBRNARPFQEH-HNNXBMFYSA-N 0 0 344.415 1.983 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000177691436 442371669 /nfs/dbraw/zinc/37/16/69/442371669.db2.gz SPMCKHQGQKAWNK-TZMCWYRMSA-N 0 0 331.420 1.329 10 0 EDAERN O=C(CN1CCC[C@H](n2cncn2)C1)N1CCc2sccc2C1 ZINC000171701237 442371975 /nfs/dbraw/zinc/37/19/75/442371975.db2.gz FTGSDSFAMTUUAQ-AWEZNQCLSA-N 0 0 331.445 1.561 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)CN2CCN(c3ccccn3)CC2)o1 ZINC000155054294 442373326 /nfs/dbraw/zinc/37/33/26/442373326.db2.gz ZKYCENPEDWXQDO-HNNXBMFYSA-N 0 0 328.416 1.982 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000155201829 442381382 /nfs/dbraw/zinc/38/13/82/442381382.db2.gz UQMQUNMTXFQFBM-SWLSCSKDSA-N 0 0 325.368 1.360 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3nnc(C)s3)CC2)n1 ZINC000171806187 442382400 /nfs/dbraw/zinc/38/24/00/442382400.db2.gz HZBXJBMDFMDOAY-MRVPVSSYSA-N 0 0 337.409 1.449 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCc3ccoc3)CC2)cn1 ZINC000171852115 442384763 /nfs/dbraw/zinc/38/47/63/442384763.db2.gz BRTIZIWERJJVJL-UHFFFAOYSA-N 0 0 331.420 1.914 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)C[C@@H]1N1CCOCC1 ZINC000177807077 442386657 /nfs/dbraw/zinc/38/66/57/442386657.db2.gz YMKLMNPUABYZET-HIFRSBDPSA-N 0 0 347.463 1.959 10 0 EDAERN CSC[C@@H](CCO)NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155360488 442390974 /nfs/dbraw/zinc/39/09/74/442390974.db2.gz NAZHSKCGWGUXDW-VXGBXAGGSA-N 0 0 341.481 1.130 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000177963818 442398004 /nfs/dbraw/zinc/39/80/04/442398004.db2.gz UEDLYCJEXDBANL-UONOGXRCSA-N 0 0 342.461 1.714 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1csnn1 ZINC000177966621 442398333 /nfs/dbraw/zinc/39/83/33/442398333.db2.gz ZXKZTDZGCHUMCM-LBPRGKRZSA-N 0 0 338.458 1.745 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(Br)o2)n1 ZINC000155481943 442401402 /nfs/dbraw/zinc/40/14/02/442401402.db2.gz YARKBLHIVZEHFG-QMMMGPOBSA-N 0 0 342.149 1.947 10 0 EDAERN O=C(CN1CCC[C@H](n2cncn2)C1)NCCOc1ccccc1 ZINC000171616605 442363368 /nfs/dbraw/zinc/36/33/68/442363368.db2.gz LMRYUKQMFJYBLN-HNNXBMFYSA-N 0 0 329.404 1.110 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCN3CCOCC3(C)C)C2)cn1 ZINC000172184241 442420388 /nfs/dbraw/zinc/42/03/88/442420388.db2.gz HMOZBHJFVIPAQR-AWEZNQCLSA-N 0 0 335.452 1.030 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)N2CCC(CO)CC2)[C@@H]1c1ccccc1 ZINC000178612438 442448220 /nfs/dbraw/zinc/44/82/20/442448220.db2.gz LGRCWHGNMUNACP-AEFFLSMTSA-N 0 0 330.428 1.827 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@H](OCCO)C1)C(C)C ZINC000178621684 442449016 /nfs/dbraw/zinc/44/90/16/442449016.db2.gz UOYCYWSIBQNWPR-GOEBONIOSA-N 0 0 328.453 1.173 10 0 EDAERN COc1ncnc(OC)c1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000172393416 442453959 /nfs/dbraw/zinc/45/39/59/442453959.db2.gz VPLXYTIICMJRKP-UHFFFAOYSA-N 0 0 331.376 1.243 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000172397144 442454481 /nfs/dbraw/zinc/45/44/81/442454481.db2.gz NVZFDVQPUKVDRD-PWSUYJOCSA-N 0 0 348.380 1.043 10 0 EDAERN Cc1csc(C(=O)N2CCOC[C@H]2C(N)=O)c1Br ZINC000191513797 442456796 /nfs/dbraw/zinc/45/67/96/442456796.db2.gz PPXDYUZCSOOFNU-ZETCQYMHSA-N 0 0 333.207 1.145 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC(F)(F)CO)[C@H]1c1ccccc1 ZINC000186078395 442458846 /nfs/dbraw/zinc/45/88/46/442458846.db2.gz ZPIUMXCYBUFFGL-GXTWGEPZSA-N 0 0 326.343 1.340 10 0 EDAERN C[C@@H](CO)[C@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172597485 442499982 /nfs/dbraw/zinc/49/99/82/442499982.db2.gz GMLVWAZWNHMVMJ-SRVKXCTJSA-N 0 0 328.434 1.467 10 0 EDAERN CC(=O)NC1CN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000191730964 442500422 /nfs/dbraw/zinc/50/04/22/442500422.db2.gz AHHKURLYKXSAJE-CYBMUJFWSA-N 0 0 343.221 1.009 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)cn1 ZINC000191732423 442501779 /nfs/dbraw/zinc/50/17/79/442501779.db2.gz UZTRUGAQRRWFTH-MRXNPFEDSA-N 0 0 343.383 1.888 10 0 EDAERN CCNS(=O)(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000172444308 442462188 /nfs/dbraw/zinc/46/21/88/442462188.db2.gz NJZTZELKASJAQQ-JTQLQIEISA-N 0 0 326.397 1.825 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccnnc2)CC1 ZINC000191582537 442470354 /nfs/dbraw/zinc/47/03/54/442470354.db2.gz DDXUJLQTBIOHDJ-HNNXBMFYSA-N 0 0 348.447 1.745 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CCO2)cn1 ZINC000191786003 442510874 /nfs/dbraw/zinc/51/08/74/442510874.db2.gz LSIMXZGZPZGAPI-DOMZBBRYSA-N 0 0 346.387 1.214 10 0 EDAERN O=C(c1ccc(N2CCCC2)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172755992 442534540 /nfs/dbraw/zinc/53/45/40/442534540.db2.gz HEJJRXCWFBVAQF-MRXNPFEDSA-N 0 0 330.432 1.229 10 0 EDAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172755129 442534717 /nfs/dbraw/zinc/53/47/17/442534717.db2.gz WZTBKBKJRRJOLH-TXTHVTMNSA-N 0 0 330.384 1.362 10 0 EDAERN O=C(c1ccn(-c2cccc(F)c2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000172759847 442536123 /nfs/dbraw/zinc/53/61/23/442536123.db2.gz GJAXUXCEOGAACL-INIZCTEOSA-N 0 0 344.390 1.558 10 0 EDAERN COc1ccc2c(CC(=O)N3CC[C@@H](N4CCOCC4)C3)coc2c1 ZINC000172757882 442536166 /nfs/dbraw/zinc/53/61/66/442536166.db2.gz BXTAKRCOSKYUHC-OAHLLOKOSA-N 0 0 344.411 1.917 10 0 EDAERN COc1cccc(O[C@@H](C)CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000172870861 442558414 /nfs/dbraw/zinc/55/84/14/442558414.db2.gz FTKCBRABKFNHDA-QWHCGFSZSA-N 0 0 346.383 1.990 10 0 EDAERN O=C(c1ccc2c(c1)OCCCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172761828 442536980 /nfs/dbraw/zinc/53/69/80/442536980.db2.gz ZDPPGMLZCQKSTI-OAHLLOKOSA-N 0 0 332.400 1.395 10 0 EDAERN O=C(C[C@H]1OCCc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172764969 442538350 /nfs/dbraw/zinc/53/83/50/442538350.db2.gz UGSNARZOGYJTKY-SJLPKXTDSA-N 0 0 330.428 1.624 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CCCCc2c[nH]nn2)C12CCOCC2 ZINC000186462503 442540045 /nfs/dbraw/zinc/54/00/45/442540045.db2.gz MVADSZHUONSLLP-LSDHHAIUSA-N 0 0 336.436 1.608 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000157103498 442550759 /nfs/dbraw/zinc/55/07/59/442550759.db2.gz QOZRWTQTDHOJQR-ZDUSSCGKSA-N 0 0 334.420 1.127 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000135109887 442557058 /nfs/dbraw/zinc/55/70/58/442557058.db2.gz NHOHNLNUUGPMFP-LSDHHAIUSA-N 0 0 333.436 1.376 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)Cc3cn4ccccc4n3)CCO2)cn1 ZINC000191785068 442511113 /nfs/dbraw/zinc/51/11/13/442511113.db2.gz OLRLCZCSGNAKCX-MRXNPFEDSA-N 0 0 339.399 1.693 10 0 EDAERN C[C@H]1CS(=O)(=O)CCN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000172632724 442511224 /nfs/dbraw/zinc/51/12/24/442511224.db2.gz DYQAQIMDUDDKTF-WFASDCNBSA-N 0 0 347.864 1.336 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)NC3CCOCC3)CC2)cn1 ZINC000172652539 442515013 /nfs/dbraw/zinc/51/50/13/442515013.db2.gz KLHIERRDMOQSKG-UHFFFAOYSA-N 0 0 349.479 1.689 10 0 EDAERN O=C(CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)Nc1nncs1 ZINC000178903850 442520853 /nfs/dbraw/zinc/52/08/53/442520853.db2.gz SVERTOVNDWSLKP-JOYOIKCWSA-N 0 0 340.355 1.563 10 0 EDAERN COc1nc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc2ccccc21 ZINC000172752914 442533515 /nfs/dbraw/zinc/53/35/15/442533515.db2.gz XYFNINXAVLUABO-OAHLLOKOSA-N 0 0 341.411 1.790 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000180270509 442570898 /nfs/dbraw/zinc/57/08/98/442570898.db2.gz BEJHMYSJQDKMMD-OAHLLOKOSA-N 0 0 328.368 1.177 10 0 EDAERN CC(C)Cc1ccc(C(=O)CCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000180276143 442571910 /nfs/dbraw/zinc/57/19/10/442571910.db2.gz FDQVATHTNXGCSP-INIZCTEOSA-N 0 0 346.427 1.561 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@H](C)C(=O)OC(C)C)C(C)C ZINC000173005139 442583044 /nfs/dbraw/zinc/58/30/44/442583044.db2.gz GYTDFOBUVHWJCF-ZFWWWQNUSA-N 0 0 328.453 1.877 10 0 EDAERN O=C(NCCNc1cccc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000180358343 442586620 /nfs/dbraw/zinc/58/66/20/442586620.db2.gz YIUIFJUYHKWAFV-VIFPVBQESA-N 0 0 326.194 1.113 10 0 EDAERN O=C(Nc1ccccc1)c1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179181431 442591033 /nfs/dbraw/zinc/59/10/33/442591033.db2.gz KWZNAAMMXYTBCH-MSOLQXFVSA-N 0 0 326.396 1.866 10 0 EDAERN O=C(c1ccon1)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000135541935 442609335 /nfs/dbraw/zinc/60/93/35/442609335.db2.gz PNTIQCUEYZMNIM-UHFFFAOYSA-N 0 0 337.383 1.818 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)o1 ZINC000180415082 442599186 /nfs/dbraw/zinc/59/91/86/442599186.db2.gz LVDIZRUKSBQVBB-NSHDSACASA-N 0 0 339.417 1.668 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000180429625 442601158 /nfs/dbraw/zinc/60/11/58/442601158.db2.gz YTEFSVKUKFIGLE-AWEZNQCLSA-N 0 0 341.415 1.616 10 0 EDAERN Cn1nc(Br)cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000192155152 442605029 /nfs/dbraw/zinc/60/50/29/442605029.db2.gz SQPVMFLRLZOUBX-YGRLFVJLSA-N 0 0 342.237 1.950 10 0 EDAERN C[C@@H](O)CCNC(=O)c1cc(I)ccc1O ZINC000179059330 442563336 /nfs/dbraw/zinc/56/33/36/442563336.db2.gz ZVOPUQWRKOCZAN-SSDOTTSWSA-N 0 0 335.141 1.498 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)c(F)cc1Cl)C(C)C ZINC000179081292 442567638 /nfs/dbraw/zinc/56/76/38/442567638.db2.gz RXMFQQJCJNBRII-LLVKDONJSA-N 0 0 347.749 1.444 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NCCCN1CCOCC1 ZINC000173271468 442636671 /nfs/dbraw/zinc/63/66/71/442636671.db2.gz QURRBAIOTWFDBO-MRXNPFEDSA-N 0 0 335.448 1.613 10 0 EDAERN C[S@](=O)CCCNC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000173270116 442636775 /nfs/dbraw/zinc/63/67/75/442636775.db2.gz LAWLCWDBJPQKNH-DMDKVIGKSA-N 0 0 332.466 1.565 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)[C@H]3CCOC[C@@H]3C)CC2)n1 ZINC000192530081 442658220 /nfs/dbraw/zinc/65/82/20/442658220.db2.gz BUJRSFGHWTUFPY-KBPBESRZSA-N 0 0 334.420 1.197 10 0 EDAERN Cc1cnn(CCNC(=O)c2cn(-c3cccc(Cl)c3)nn2)c1 ZINC000187090944 442652740 /nfs/dbraw/zinc/65/27/40/442652740.db2.gz UDHSXZAJRQFRQQ-UHFFFAOYSA-N 0 0 330.779 1.856 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CC)C[C@H](O)C(F)(F)F)CC2 ZINC000187113793 442654059 /nfs/dbraw/zinc/65/40/59/442654059.db2.gz BXISXSXHWLOAAC-ZJUUUORDSA-N 0 0 349.357 1.110 10 0 EDAERN Cc1c([C@@H](C)NC[C@H]2CN(C)CCO2)nnn1-c1ccc(F)cc1 ZINC000180491961 442610982 /nfs/dbraw/zinc/61/09/82/442610982.db2.gz KTSFUNIYGBIABX-WBMJQRKESA-N 0 0 333.411 1.696 10 0 EDAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)O1 ZINC000186791700 442612452 /nfs/dbraw/zinc/61/24/52/442612452.db2.gz RXCGCLPVRPYKPI-XHDPSFHLSA-N 0 0 336.363 1.804 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)CN(C)C(=O)COC)C12CCCC2 ZINC000135586954 442614461 /nfs/dbraw/zinc/61/44/61/442614461.db2.gz MKFIIOOQNDKMOG-ZIAGYGMSSA-N 0 0 326.437 1.287 10 0 EDAERN O=C1c2ccccc2C(=O)N1C[C@H](O)CN(CC(F)(F)F)C1CC1 ZINC000179305897 442617594 /nfs/dbraw/zinc/61/75/94/442617594.db2.gz DRACXAIXFUWQAW-LLVKDONJSA-N 0 0 342.317 1.670 10 0 EDAERN COCCN1CCN(C(=O)c2cccnc2Br)C[C@@H]1C ZINC000135644188 442623000 /nfs/dbraw/zinc/62/30/00/442623000.db2.gz MFOLPJIORTXDIZ-NSHDSACASA-N 0 0 342.237 1.637 10 0 EDAERN Cc1sc(=O)n(CCC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1C ZINC000135738363 442629604 /nfs/dbraw/zinc/62/96/04/442629604.db2.gz TZKXUZQDZLAVMR-OAHLLOKOSA-N 0 0 347.440 1.992 10 0 EDAERN COCCOCCS(=O)(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180590225 442629792 /nfs/dbraw/zinc/62/97/92/442629792.db2.gz KRJARFWWHOGPBA-BBRMVZONSA-N 0 0 327.446 1.811 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCN(CCOC)[C@@H](C)C2)ccc1C ZINC000180597882 442631164 /nfs/dbraw/zinc/63/11/64/442631164.db2.gz SPIHPXCMGNVJHG-HNNXBMFYSA-N 0 0 347.459 1.675 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2ccncc2OC)CC1 ZINC000187504861 442679134 /nfs/dbraw/zinc/67/91/34/442679134.db2.gz MBSKYBVLIJZVIK-KBPBESRZSA-N 0 0 336.436 1.249 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3occ(C)c3c2)C1 ZINC000187578525 442681945 /nfs/dbraw/zinc/68/19/45/442681945.db2.gz RBENCNJTFQIKLS-AWEZNQCLSA-N 0 0 343.383 1.807 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H](C)C2 ZINC000181255449 442686892 /nfs/dbraw/zinc/68/68/92/442686892.db2.gz KDAFNWVIMWROEU-XHDPSFHLSA-N 0 0 329.400 1.675 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc(Cl)cn2)ncn1 ZINC000192804531 442688020 /nfs/dbraw/zinc/68/80/20/442688020.db2.gz KFYKKMNIWJWZAC-SNVBAGLBSA-N 0 0 347.810 1.361 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)c3cccc4n[nH]nc43)CC2)s1 ZINC000187858862 442695224 /nfs/dbraw/zinc/69/52/24/442695224.db2.gz YEKDTKSUUNUNFC-UHFFFAOYSA-N 0 0 342.428 1.681 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC2(CCO)CC2)[C@@H]1c1ccc(F)cc1 ZINC000188039365 442704496 /nfs/dbraw/zinc/70/44/96/442704496.db2.gz QJYFSAXNAOSZML-ZBFHGGJFSA-N 0 0 334.391 1.624 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)Cc2c(C)noc2C)CC1 ZINC000181805943 442717641 /nfs/dbraw/zinc/71/76/41/442717641.db2.gz PQGRJMVATWKYJB-DOMZBBRYSA-N 0 0 338.452 1.321 10 0 EDAERN O=C(/C=C/c1cncc(O)c1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000181863908 442719755 /nfs/dbraw/zinc/71/97/55/442719755.db2.gz PLHVFPLVLQDSBN-LLYBFZRZSA-N 0 0 344.392 1.835 10 0 EDAERN CCOc1cc(C)ccc1CNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000181972067 442724518 /nfs/dbraw/zinc/72/45/18/442724518.db2.gz JAONMIYJIOAMMW-KRWDZBQOSA-N 0 0 349.475 1.992 10 0 EDAERN C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1C(=O)OC(C)(C)C ZINC000188309667 442736885 /nfs/dbraw/zinc/73/68/85/442736885.db2.gz UMLLNUQXXLYXRK-JSGCOSHPSA-N 0 0 336.436 1.867 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000193389052 442738483 /nfs/dbraw/zinc/73/84/83/442738483.db2.gz LYUAIABYKYMBNF-HNNXBMFYSA-N 0 0 343.387 1.227 10 0 EDAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000193491394 442748128 /nfs/dbraw/zinc/74/81/28/442748128.db2.gz FTFKOKGYJRGCDD-UHFFFAOYSA-N 0 0 344.350 1.052 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000188448465 442751014 /nfs/dbraw/zinc/75/10/14/442751014.db2.gz PGCJVLVONFQNIO-NVXWUHKLSA-N 0 0 329.400 1.129 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000188456910 442751845 /nfs/dbraw/zinc/75/18/45/442751845.db2.gz MCEXRQZTDRUZCT-JBBXEZCESA-N 0 0 330.428 1.724 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(N3CCCC3=O)c2)C1)C1CCC1 ZINC000188486712 442755696 /nfs/dbraw/zinc/75/56/96/442755696.db2.gz HXVVWGQVSKIEDR-UHFFFAOYSA-N 0 0 341.411 1.554 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)sc1C ZINC000193057299 442708853 /nfs/dbraw/zinc/70/88/53/442708853.db2.gz HTNJMHGTUGRRHF-NSHDSACASA-N 0 0 334.405 1.154 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)[C@@H](C)C2 ZINC000181695670 442710526 /nfs/dbraw/zinc/71/05/26/442710526.db2.gz FILQHWOKJBTXBU-LRDDRELGSA-N 0 0 341.415 1.681 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCOC3(CCC3)C1)CC2 ZINC000181698602 442711178 /nfs/dbraw/zinc/71/11/78/442711178.db2.gz XMDIBTDTYDBSAS-CYBMUJFWSA-N 0 0 333.436 1.681 10 0 EDAERN Cc1ccc([C@H](C)NCC(=O)NCc2ccc(OCC(N)=O)cc2)o1 ZINC000182587628 442790910 /nfs/dbraw/zinc/79/09/10/442790910.db2.gz MIEJGPPVGNGFJB-ZDUSSCGKSA-N 0 0 345.399 1.419 10 0 EDAERN COCCOc1cccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246693255 442803928 /nfs/dbraw/zinc/80/39/28/442803928.db2.gz JRMVGVKWDMDOHU-GJZGRUSLSA-N 0 0 336.432 1.239 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CC(NC(=O)C3CCC3)C2)c1C ZINC000188546760 442761973 /nfs/dbraw/zinc/76/19/73/442761973.db2.gz FFHAOBUSTKEYQC-UHFFFAOYSA-N 0 0 347.415 1.549 10 0 EDAERN CC(C)n1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000188568945 442764471 /nfs/dbraw/zinc/76/44/71/442764471.db2.gz YTGZVGKUVGVHHP-NSHDSACASA-N 0 0 336.417 1.602 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000193737948 442777242 /nfs/dbraw/zinc/77/72/42/442777242.db2.gz QSLSFLRIYABKRD-IIDMSEBBSA-N 0 0 344.455 1.940 10 0 EDAERN COCCn1ccc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(C)=O)cc21 ZINC000193743334 442777595 /nfs/dbraw/zinc/77/75/95/442777595.db2.gz ZCMWZFGPOQYVCG-NVXWUHKLSA-N 0 0 345.399 1.208 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000193766424 442782556 /nfs/dbraw/zinc/78/25/56/442782556.db2.gz JOSXZICLIJJINC-UHFFFAOYSA-N 0 0 333.432 1.368 10 0 EDAERN Cn1cc([C@H]2CCN([C@H]3CC(=O)N(c4ccccc4F)C3=O)C2)cn1 ZINC000247054236 442831976 /nfs/dbraw/zinc/83/19/76/442831976.db2.gz OUFAMDGJOQNGOW-LRDDRELGSA-N 0 0 342.374 1.681 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](C)N2CCOCC2)C1(CC)CC ZINC000247074952 442833833 /nfs/dbraw/zinc/83/38/33/442833833.db2.gz OWZLPWHWJMTGBZ-ARFHVFGLSA-N 0 0 341.496 1.990 10 0 EDAERN O=C(c1cc(OCC(F)F)ccn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000182781974 442824407 /nfs/dbraw/zinc/82/44/07/442824407.db2.gz IAZXUWUYIWVSBQ-GFCCVEGCSA-N 0 0 341.358 1.272 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2CCCCN2C(=O)CC)C[C@@H]1C ZINC000247212577 442840826 /nfs/dbraw/zinc/84/08/26/442840826.db2.gz UTQHCGXCUMFSIT-JKSUJKDBSA-N 0 0 339.480 1.347 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000188904689 442839875 /nfs/dbraw/zinc/83/98/75/442839875.db2.gz ZTDSNBJNDRNPIM-AKHDSKFASA-N 0 0 344.455 1.886 10 0 EDAERN CC(C)c1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000247231411 442843203 /nfs/dbraw/zinc/84/32/03/442843203.db2.gz ZGZVINYPGQELIF-CABCVRRESA-N 0 0 347.459 1.662 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2)CCN1C[C@H](C)O ZINC000247203013 442841424 /nfs/dbraw/zinc/84/14/24/442841424.db2.gz XIPRPHNEDPDTNJ-GOEBONIOSA-N 0 0 333.432 1.237 10 0 EDAERN CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188949433 442848012 /nfs/dbraw/zinc/84/80/12/442848012.db2.gz IGSDUBGBZHTUJN-ZDUSSCGKSA-N 0 0 342.399 1.622 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000189027218 442863603 /nfs/dbraw/zinc/86/36/03/442863603.db2.gz BBFITQUNJBELID-MJBXVCDLSA-N 0 0 332.466 1.122 10 0 EDAERN CC(C)[C@H](C)NC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171453361 318434397 /nfs/dbraw/zinc/43/43/97/318434397.db2.gz LAZGKGUATVFLTI-HNNXBMFYSA-N 0 0 338.496 1.807 10 0 EDAERN COCCn1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)cn1 ZINC000175149387 318438811 /nfs/dbraw/zinc/43/88/11/318438811.db2.gz DRWZGJOBLKGXMR-OAHLLOKOSA-N 0 0 332.408 1.731 10 0 EDAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)cn1 ZINC000189228390 442901101 /nfs/dbraw/zinc/90/11/01/442901101.db2.gz BPVRBFGSDKAKQN-INIZCTEOSA-N 0 0 335.429 1.974 10 0 EDAERN CCCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189191095 442894727 /nfs/dbraw/zinc/89/47/27/442894727.db2.gz KHIFJSZGWLJNOM-NWDGAFQWSA-N 0 0 332.426 1.117 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000194152972 442852820 /nfs/dbraw/zinc/85/28/20/442852820.db2.gz NIGKGXMBMCTTSO-KRWDZBQOSA-N 0 0 340.427 1.981 10 0 EDAERN CC(C)Sc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000194154422 442853569 /nfs/dbraw/zinc/85/35/69/442853569.db2.gz YWWULNGUNRLWHI-HNNXBMFYSA-N 0 0 338.473 1.610 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182189430 318500645 /nfs/dbraw/zinc/50/06/45/318500645.db2.gz CZSPMMJUXQQDRW-LBPRGKRZSA-N 0 0 332.326 1.576 10 0 EDAERN Cc1cc(=O)oc2cc(OCCN3CCCNC(=O)[C@H]3C)ccc12 ZINC000189329795 442922107 /nfs/dbraw/zinc/92/21/07/442922107.db2.gz IBFWECCUGJPZFQ-CYBMUJFWSA-N 0 0 330.384 1.691 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cnn(Cc3ccccc3Cl)c2)C1 ZINC000194625577 442926487 /nfs/dbraw/zinc/92/64/87/442926487.db2.gz YEHJVAGCKMWKRZ-HNNXBMFYSA-N 0 0 348.834 1.645 10 0 EDAERN C[C@@H](CNC(=O)NCCO[C@@H]1CCCC[C@H]1C)N1CCOCC1 ZINC000248894739 442935451 /nfs/dbraw/zinc/93/54/51/442935451.db2.gz YJXLRMXSBZWBPR-OWCLPIDISA-N 0 0 327.469 1.602 10 0 EDAERN C[C@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1N1CCOCC1 ZINC000187881125 318556997 /nfs/dbraw/zinc/55/69/97/318556997.db2.gz RGEWJCALGRZZLB-SUMWQHHRSA-N 0 0 341.411 1.321 10 0 EDAERN CN1CCO[C@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000194748168 442948346 /nfs/dbraw/zinc/94/83/46/442948346.db2.gz SJYAKJLWSKNBBU-LLVKDONJSA-N 0 0 333.215 1.819 10 0 EDAERN CCCn1cc(NC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cn1 ZINC000189439002 442953856 /nfs/dbraw/zinc/95/38/56/442953856.db2.gz ATJLOKDBJJNAKV-QWHCGFSZSA-N 0 0 334.380 1.978 10 0 EDAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000189448214 442955865 /nfs/dbraw/zinc/95/58/65/442955865.db2.gz ZJUVXBZGMBLHHI-JSGCOSHPSA-N 0 0 335.448 1.008 10 0 EDAERN CCOc1c(Cl)cc(CNC(=O)[C@@H]2CNC(=O)C2)cc1OC ZINC000194815093 442957582 /nfs/dbraw/zinc/95/75/82/442957582.db2.gz OIOOLTDGSAZNAN-JTQLQIEISA-N 0 0 326.780 1.500 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000194827485 442958706 /nfs/dbraw/zinc/95/87/06/442958706.db2.gz OXHHMGKKFNRQDI-ONGXEEELSA-N 0 0 330.306 1.941 10 0 EDAERN C[C@H](CC(=O)N1CC(NC(=O)C2CC2)C1)C(=O)c1cccc(F)c1 ZINC000189460640 442959030 /nfs/dbraw/zinc/95/90/30/442959030.db2.gz ISECUJXKPYGYIB-LLVKDONJSA-N 0 0 332.375 1.772 10 0 EDAERN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@@H]1CNC(=O)C1 ZINC000194827052 442959326 /nfs/dbraw/zinc/95/93/26/442959326.db2.gz VVLYSETXONZMFM-LBPRGKRZSA-N 0 0 329.331 1.765 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(Br)c(F)c2)C1)C1CC1 ZINC000189465156 442961562 /nfs/dbraw/zinc/96/15/62/442961562.db2.gz LJUJVGISMSUISS-UHFFFAOYSA-N 0 0 341.180 1.939 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1c[nH]c(=O)c2ccccc12 ZINC000191680830 318574232 /nfs/dbraw/zinc/57/42/32/318574232.db2.gz SYPTXHVSIJDIKT-ZDUSSCGKSA-N 0 0 349.394 1.717 10 0 EDAERN Cc1nc(-c2ccccc2)ncc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189490048 442966173 /nfs/dbraw/zinc/96/61/73/442966173.db2.gz GXBWPAXIPHZPDR-UHFFFAOYSA-N 0 0 336.395 1.803 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N3CC(NC(=O)C4CC4)C3)cn2)n1 ZINC000189500744 442969098 /nfs/dbraw/zinc/96/90/98/442969098.db2.gz ULSABTJLYVWJIP-UHFFFAOYSA-N 0 0 339.399 1.235 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)N(CC)CC2CC2)CCN1CCOC ZINC000183903366 442974604 /nfs/dbraw/zinc/97/46/04/442974604.db2.gz IFDNTNMNDYMPNZ-OAHLLOKOSA-N 0 0 333.498 1.006 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c(Cl)n1 ZINC000189667280 442991739 /nfs/dbraw/zinc/99/17/39/442991739.db2.gz FQIVJDGRYKNBIH-LBPRGKRZSA-N 0 0 345.852 1.139 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)C[C@@H]1C ZINC000249590389 442992046 /nfs/dbraw/zinc/99/20/46/442992046.db2.gz VFDKCDPTWGZSDW-KBPBESRZSA-N 0 0 327.469 1.106 10 0 EDAERN COc1cccc(-c2cc(C(=O)N3CC(NC(=O)C4CC4)C3)[nH]n2)c1 ZINC000189439627 442953526 /nfs/dbraw/zinc/95/35/26/442953526.db2.gz BJTOEOBQVURWJC-UHFFFAOYSA-N 0 0 340.383 1.436 10 0 EDAERN CCN(C[C@H](O)C(F)(F)F)C(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000189807389 443014296 /nfs/dbraw/zinc/01/42/96/443014296.db2.gz JGDNLWCANGWNOU-WCQYABFASA-N 0 0 340.386 1.945 10 0 EDAERN COc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1Br ZINC000195434091 443017786 /nfs/dbraw/zinc/01/77/86/443017786.db2.gz PATLQJWBPSCMGW-VIFPVBQESA-N 0 0 327.178 1.210 10 0 EDAERN O=C(NCc1ccnc(N2CCOCC2)n1)c1c(F)cccc1F ZINC000224216442 443096976 /nfs/dbraw/zinc/09/69/76/443096976.db2.gz FANOAABWAMZVDI-UHFFFAOYSA-N 0 0 334.326 1.521 10 0 EDAERN O=C(NCC1(CCO)CC1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000190089858 443056071 /nfs/dbraw/zinc/05/60/71/443056071.db2.gz AUBWFUZVYHJSGB-ZDUSSCGKSA-N 0 0 338.429 1.367 10 0 EDAERN C[C@H](CNC(=O)N(C)CC1(O)CCCCCC1)N1CCOCC1 ZINC000190201693 443069842 /nfs/dbraw/zinc/06/98/42/443069842.db2.gz UKKSMFXVWAJYQK-OAHLLOKOSA-N 0 0 327.469 1.434 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2cc(C)ccc2OC)CC1 ZINC000184747383 443071625 /nfs/dbraw/zinc/07/16/25/443071625.db2.gz UIMOABHDNOMMGK-KRWDZBQOSA-N 0 0 349.475 1.644 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1CCOC[C@H]1c1nc(C)no1 ZINC000185083187 443133157 /nfs/dbraw/zinc/13/31/57/443133157.db2.gz VKEYGAQICRMYGF-AWEZNQCLSA-N 0 0 346.387 1.707 10 0 EDAERN COCCC(C)(C)CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000185148622 443147487 /nfs/dbraw/zinc/14/74/87/443147487.db2.gz SZDSFRAMQSOQKY-HUUCEWRRSA-N 0 0 327.469 1.411 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000190487011 443118770 /nfs/dbraw/zinc/11/87/70/443118770.db2.gz YPGOKUFCVPLAKC-NSHDSACASA-N 0 0 347.444 1.955 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)N1CCN(Cc2ccccc2C)CC1)C(=O)[O-] ZINC000185043057 443124009 /nfs/dbraw/zinc/12/40/09/443124009.db2.gz IGGQLKHNRZNKED-KRWDZBQOSA-N 0 0 347.459 1.482 10 0 EDAERN COc1ccnc(CN2CCCN(c3ccc(C)nn3)CC2)c1OC ZINC000190520510 443125634 /nfs/dbraw/zinc/12/56/34/443125634.db2.gz PIXOMLPIYGBOES-UHFFFAOYSA-N 0 0 343.431 1.910 10 0 EDAERN COc1ccc(-c2noc(CCC(=O)N3CC(NC(C)=O)C3)n2)cc1 ZINC000190520305 443125665 /nfs/dbraw/zinc/12/56/65/443125665.db2.gz QPIJKTRHAOXZSC-UHFFFAOYSA-N 0 0 344.371 1.025 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2sc(C3CCCC3)nc2C)C1 ZINC000185254318 443170488 /nfs/dbraw/zinc/17/04/88/443170488.db2.gz ZAHNIJBHHYIEDR-UHFFFAOYSA-N 0 0 337.445 1.696 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000185258463 443171695 /nfs/dbraw/zinc/17/16/95/443171695.db2.gz XBRJNPVDKHPRPJ-UHFFFAOYSA-N 0 0 329.400 1.464 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000185266127 443172652 /nfs/dbraw/zinc/17/26/52/443172652.db2.gz SEPIAARGWCPMRY-CYBMUJFWSA-N 0 0 326.443 1.052 10 0 EDAERN CCn1cc([C@H]2CN(CCS(=O)(=O)c3ccccc3)CCO2)cn1 ZINC000190733813 443173060 /nfs/dbraw/zinc/17/30/60/443173060.db2.gz WJRQEESYVKKFAL-QGZVFWFLSA-N 0 0 349.456 1.750 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000190740273 443174164 /nfs/dbraw/zinc/17/41/64/443174164.db2.gz BEUDWPZHWQXALK-MRXNPFEDSA-N 0 0 340.326 1.249 10 0 EDAERN Cc1c(Br)cccc1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000190747479 443175285 /nfs/dbraw/zinc/17/52/85/443175285.db2.gz MXDDNVYPSGDAKL-ZDUSSCGKSA-N 0 0 341.249 1.747 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000185284266 443175894 /nfs/dbraw/zinc/17/58/94/443175894.db2.gz KNZPFPSDOTWVCF-UHFFFAOYSA-N 0 0 346.305 1.058 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC1(CO)CCCC1)CC2 ZINC000185635402 443230257 /nfs/dbraw/zinc/23/02/57/443230257.db2.gz RILNXIHTSCLUKJ-CYBMUJFWSA-N 0 0 335.452 1.568 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCCc2ccc(C(C)C)cc2)C1 ZINC000185451557 443201534 /nfs/dbraw/zinc/20/15/34/443201534.db2.gz AORBUWPQFGPFNX-UHFFFAOYSA-N 0 0 347.459 1.899 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](c2ncc(C)s2)C2CC2)C1 ZINC000185532976 443215299 /nfs/dbraw/zinc/21/52/99/443215299.db2.gz MTARSDOTLCAUCA-ZDUSSCGKSA-N 0 0 338.433 1.059 10 0 EDAERN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000246177665 443275948 /nfs/dbraw/zinc/27/59/48/443275948.db2.gz MNZNPGLIKQYFRR-UPJWGTAASA-N 0 0 343.420 1.871 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)C(C)C ZINC000246185968 443276753 /nfs/dbraw/zinc/27/67/53/443276753.db2.gz JZJHBXCJEPTODZ-VHDGCEQUSA-N 0 0 346.431 1.250 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1O ZINC000185917258 443283174 /nfs/dbraw/zinc/28/31/74/443283174.db2.gz YBKMGOCWWIUBMQ-CSPWOOARSA-N 0 0 343.383 1.538 10 0 EDAERN COC1(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CCCCC1 ZINC000185925259 443284494 /nfs/dbraw/zinc/28/44/94/443284494.db2.gz MLZAQCKFDUOWID-HOTGVXAUSA-N 0 0 339.480 1.698 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(COC(C)(C)C)on3)CCO2)[nH]1 ZINC000185927967 443285243 /nfs/dbraw/zinc/28/52/43/443285243.db2.gz KKSYZJRSRBZUQV-CYBMUJFWSA-N 0 0 349.391 1.630 10 0 EDAERN C[C@H](CNC(=O)Nc1cccc(-c2cc[nH]n2)c1)N1CCOCC1 ZINC000185958311 443290810 /nfs/dbraw/zinc/29/08/10/443290810.db2.gz LZMDNQKAWZVCRM-CYBMUJFWSA-N 0 0 329.404 1.919 10 0 EDAERN CC(=O)NC1CN(C(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000191498474 443303004 /nfs/dbraw/zinc/30/30/04/443303004.db2.gz NWFVIVTVNWGXJC-UHFFFAOYSA-N 0 0 336.189 1.891 10 0 EDAERN CCc1nnc2n1CCN(C1CN(C(=O)c3cc(C)oc3C)C1)C2 ZINC000328646976 444412835 /nfs/dbraw/zinc/41/28/35/444412835.db2.gz SZIGVXHWRVPYET-UHFFFAOYSA-N 0 0 329.404 1.391 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3Oc4ccccc4[C@@H]3C)CCO2)o1 ZINC000328613383 444393964 /nfs/dbraw/zinc/39/39/64/444393964.db2.gz RVNYQKIUAJDKHF-LKTVYLICSA-N 0 0 329.356 1.843 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173398 450434020 /nfs/dbraw/zinc/43/40/20/450434020.db2.gz APUMYASBTNKLGT-QMTHXVAHSA-N 0 0 343.387 1.692 10 0 EDAERN Cc1nc2c(c(N3CC[C@](O)(c4cn(C(C)C)nn4)C3)n1)CCCC2 ZINC000583616668 448443823 /nfs/dbraw/zinc/44/38/23/448443823.db2.gz YMNPOBDWBKYRQU-GOSISDBHSA-N 0 0 342.447 1.934 10 0 EDAERN COc1ccc(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)cc1C1CC1 ZINC000583617668 448445102 /nfs/dbraw/zinc/44/51/02/448445102.db2.gz CQLBBZNYCZQFNZ-GOSISDBHSA-N 0 0 342.399 1.815 10 0 EDAERN Cc1cc(C)cc(CCC(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000583617821 448445865 /nfs/dbraw/zinc/44/58/65/448445865.db2.gz VHDDEBXPJKCRNF-GOSISDBHSA-N 0 0 328.416 1.864 10 0 EDAERN CCOc1cccc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583618187 448446341 /nfs/dbraw/zinc/44/63/41/448446341.db2.gz LIFGWLIMHHLBMG-SFHVURJKSA-N 0 0 344.415 1.991 10 0 EDAERN O[C@@]1(c2cn[nH]n2)CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000583617905 448446398 /nfs/dbraw/zinc/44/63/98/448446398.db2.gz IKYYUVNYNRNJPN-KRWDZBQOSA-N 0 0 342.378 1.613 10 0 EDAERN CCOC(=O)[C@H](N)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000536960071 448549255 /nfs/dbraw/zinc/54/92/55/448549255.db2.gz NBBVISVPWRMMDW-NEPJUHHUSA-N 0 0 325.365 1.352 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc4n[nH]cc4c3)C[C@@H](C)O2)o1 ZINC000619281511 450444533 /nfs/dbraw/zinc/44/45/33/450444533.db2.gz IBPHNPXGLNXPQU-MEBBXXQBSA-N 0 0 341.371 1.785 10 0 EDAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1cc(Cl)cc(Cl)c1 ZINC000625593949 450442320 /nfs/dbraw/zinc/44/23/20/450442320.db2.gz CGNZFOGADUSOEO-QWRGUYRKSA-N 0 0 326.201 1.422 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2cccnc2N)CC1 ZINC000616595574 450454792 /nfs/dbraw/zinc/45/47/92/450454792.db2.gz NLJDBEHOAIEWQG-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H]1c1ccc(CO)cc1 ZINC000616640909 450457081 /nfs/dbraw/zinc/45/70/81/450457081.db2.gz CBLRMAIPHZHVBA-QGZVFWFLSA-N 0 0 333.409 1.941 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H](Nc2ccccn2)C1 ZINC000616663285 450458750 /nfs/dbraw/zinc/45/87/50/450458750.db2.gz NOCBFQSKWZQIEN-AWEZNQCLSA-N 0 0 333.413 1.583 10 0 EDAERN CCOC(=O)c1ccc([C@H]2COCCN(S(C)(=O)=O)C2)cc1 ZINC000616664389 450458958 /nfs/dbraw/zinc/45/89/58/450458958.db2.gz SVPKPNGCUBYUIR-CQSZACIVSA-N 0 0 327.402 1.239 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccoc1Br ZINC000616775790 450482349 /nfs/dbraw/zinc/48/23/49/450482349.db2.gz ZJNKRRYNIFYWIK-IVZWLZJFSA-N 0 0 326.150 1.343 10 0 EDAERN Cc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)cc1N1CCOCC1 ZINC000630356235 451129921 /nfs/dbraw/zinc/12/99/21/451129921.db2.gz NUUDMFJRCDWMNP-UKRRQHHQSA-N 0 0 331.416 1.229 10 0 EDAERN C[C@@H]1C[C@H](O)CCN1S(=O)(=O)c1ccccc1Br ZINC000632623314 451462330 /nfs/dbraw/zinc/46/23/30/451462330.db2.gz UULQWHRMXVUTNU-NXEZZACHSA-N 0 0 334.235 1.983 10 0 EDAERN Cc1nn(CC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)c(=O)o1 ZINC000640725603 451528013 /nfs/dbraw/zinc/52/80/13/451528013.db2.gz VQHHMKLAXJSNSV-CYBMUJFWSA-N 0 0 337.763 1.478 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2O)cc1Br ZINC000629224725 451603446 /nfs/dbraw/zinc/60/34/46/451603446.db2.gz LCRSMWCGUNUPIW-MNOVXSKESA-N 0 0 330.178 1.337 10 0 EDAERN CN(C)c1ccc([C@H]2CCCN2C(=O)N[C@H]2CCOC2(C)C)nn1 ZINC000644507381 451825383 /nfs/dbraw/zinc/82/53/83/451825383.db2.gz YFRMSLMPJUFPQT-KGLIPLIRSA-N 0 0 333.436 1.957 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000644239793 453182283 /nfs/dbraw/zinc/18/22/83/453182283.db2.gz YHJGPKZIZNIEQS-GOSISDBHSA-N 0 0 344.455 1.841 10 0 EDAERN CN1CCCN(C(=O)CN2CCCC[C@@H](O)C2=O)c2cc(F)ccc21 ZINC000644367037 453358434 /nfs/dbraw/zinc/35/84/34/453358434.db2.gz SNXSSWDSNZWPKF-MRXNPFEDSA-N 0 0 349.406 1.372 10 0 EDAERN C[C@@H](C(=O)N1CC2(C1)CCCOC2)N1C(=O)c2ccccc2C1=O ZINC000644458527 453482414 /nfs/dbraw/zinc/48/24/14/453482414.db2.gz UDONWAWRTAVTDM-LBPRGKRZSA-N 0 0 328.368 1.310 10 0 EDAERN Cn1cc(C(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c(C2CCOCC2)n1 ZINC000644472524 453497447 /nfs/dbraw/zinc/49/74/47/453497447.db2.gz PECWBUORHRZAQI-UKRRQHHQSA-N 0 0 346.431 1.007 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C)o1 ZINC000657145883 453704797 /nfs/dbraw/zinc/70/47/97/453704797.db2.gz TVBPLGHROQXZBW-GXTWGEPZSA-N 0 0 339.417 1.861 10 0 EDAERN CNC(=O)C1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000042005438 486871277 /nfs/dbraw/zinc/87/12/77/486871277.db2.gz RFPLETLZHQMBHW-LBPRGKRZSA-N 0 0 332.404 1.181 10 0 EDAERN O=C(Cc1ccccc1C(F)(F)F)NC[C@H](O)CN1CCOCC1 ZINC000132931682 491217786 /nfs/dbraw/zinc/21/77/86/491217786.db2.gz STIPQBQGGKCGCF-ZDUSSCGKSA-N 0 0 346.349 1.057 10 0 EDAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N[C@H]1CCCn2ncnc21 ZINC000135266886 491228459 /nfs/dbraw/zinc/22/84/59/491228459.db2.gz WCENIKXYPASNQZ-KGLIPLIRSA-N 0 0 346.435 1.203 10 0 EDAERN CCC[C@](C)(O)C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000126036187 491013404 /nfs/dbraw/zinc/01/34/04/491013404.db2.gz KBJRAEVJJUPOHE-SFHVURJKSA-N 0 0 336.480 1.833 10 0 EDAERN CC(C)CO[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000126625789 491015467 /nfs/dbraw/zinc/01/54/67/491015467.db2.gz QFMHUAPPQDAOAT-UONOGXRCSA-N 0 0 344.411 1.945 10 0 EDAERN C[C@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@@H]1N1CCOCC1 ZINC000183380794 533883625 /nfs/dbraw/zinc/88/36/25/533883625.db2.gz MBYROQYLCINKKU-YOEHRIQHSA-N 0 0 341.415 1.060 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@@H]1N1CCOCC1 ZINC000173966266 534420821 /nfs/dbraw/zinc/42/08/21/534420821.db2.gz PJCHJZFOWDGJFE-WBVHZDCISA-N 0 0 344.459 1.475 10 0 EDAERN CC(=O)N[C@H](C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)C1CCCC1 ZINC000171240554 534597575 /nfs/dbraw/zinc/59/75/75/534597575.db2.gz JERGEGZAVDSMCY-YOEHRIQHSA-N 0 0 348.447 1.854 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173802795 534674377 /nfs/dbraw/zinc/67/43/77/534674377.db2.gz PIPOABXWXDUODK-KSSFIOAISA-N 0 0 342.443 1.524 10 0 EDAERN Cc1ccccc1O[C@@H](C)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187324255 534831118 /nfs/dbraw/zinc/83/11/18/534831118.db2.gz ZIHOSBUZMALOGX-ZDUSSCGKSA-N 0 0 331.416 1.682 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCCc2nnc(-c3ccccc3)o2)C1 ZINC000194750930 536444537 /nfs/dbraw/zinc/44/45/37/536444537.db2.gz MUPLTJSVYAIHFB-OAHLLOKOSA-N 0 0 344.415 1.506 10 0 EDAERN CC(C)(C)[C@@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168903079 526648306 /nfs/dbraw/zinc/64/83/06/526648306.db2.gz WJKQXYZXYUNAPH-LBPRGKRZSA-N 0 0 340.221 1.717 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000184308874 527720883 /nfs/dbraw/zinc/72/08/83/527720883.db2.gz KTXPSVOIFACJSQ-OAHLLOKOSA-N 0 0 340.445 1.250 10 0 EDAERN CCO[C@H](CCNC(=O)N[C@@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000174264042 528044846 /nfs/dbraw/zinc/04/48/46/528044846.db2.gz JGEJKALUXATJGX-ZIAGYGMSSA-N 0 0 337.468 1.906 10 0 EDAERN CC(C)COCCNS(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000167398870 528097032 /nfs/dbraw/zinc/09/70/32/528097032.db2.gz BJSAAVIMWLEBCB-UHFFFAOYSA-N 0 0 330.475 1.413 10 0 EDAERN CC1CC(NC(=O)c2cc(Br)cc(S(N)(=O)=O)c2)C1 ZINC000163864044 528162637 /nfs/dbraw/zinc/16/26/37/528162637.db2.gz TUVCCTRLZJAUKY-UHFFFAOYSA-N 0 0 347.234 1.625 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187735261 528548608 /nfs/dbraw/zinc/54/86/08/528548608.db2.gz ANXYGTGZOUCFAJ-STQMWFEESA-N 0 0 325.430 1.872 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CCC(=O)Nc1cccc(F)c1 ZINC000176565727 528703265 /nfs/dbraw/zinc/70/32/65/528703265.db2.gz KMVAHQQTSVUIFA-HSZRJFAPSA-N 0 0 339.396 1.671 10 0 EDAERN CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187692910 528999609 /nfs/dbraw/zinc/99/96/09/528999609.db2.gz ZYLYGYNZHHTFCG-RWMBFGLXSA-N 0 0 325.434 1.119 10 0 EDAERN CC(C)COc1ccc(CC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112646738 535225115 /nfs/dbraw/zinc/22/51/15/535225115.db2.gz FJIMNEMCBOQOAG-HNNXBMFYSA-N 0 0 328.416 1.987 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C[C@@H]1C ZINC000247064104 535608639 /nfs/dbraw/zinc/60/86/39/535608639.db2.gz GBISIQHBFCPURP-UONOGXRCSA-N 0 0 342.484 1.042 10 0 EDAERN CN1C(=O)c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)cc2C1=O ZINC000195068766 536327426 /nfs/dbraw/zinc/32/74/26/536327426.db2.gz FZAGRSQNGIVTPR-CYBMUJFWSA-N 0 0 327.384 1.223 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000189729855 536368046 /nfs/dbraw/zinc/36/80/46/536368046.db2.gz ULUVPFFBXIKOBZ-OAHLLOKOSA-N 0 0 342.399 1.546 10 0 EDAERN CN[C@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1cnn(C)c1 ZINC000262034689 536378921 /nfs/dbraw/zinc/37/89/21/536378921.db2.gz FLUFHKKIOWTVLY-KRWDZBQOSA-N 0 0 340.427 1.802 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)c2nccs2)C[C@H]1C ZINC000248607330 536870201 /nfs/dbraw/zinc/87/02/01/536870201.db2.gz KELAYDIABBUSMR-QWHCGFSZSA-N 0 0 326.466 1.609 10 0 EDAERN COc1cccc2c1OC[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1O)C2 ZINC000077809511 536964464 /nfs/dbraw/zinc/96/44/64/536964464.db2.gz KHQFTYLHPAFHAM-ZNMIVQPWSA-N 0 0 334.416 1.849 10 0 EDAERN COc1ccccc1C(C)=CC(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794078236 580871914 /nfs/dbraw/zinc/87/19/14/580871914.db2.gz RSLAOPZAISDYLG-ADYSOMBNSA-N 0 0 342.399 1.727 10 0 EDAERN Cc1nonc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000794541793 580896908 /nfs/dbraw/zinc/89/69/08/580896908.db2.gz TWOGBSMKMQMCAO-SWLSCSKDSA-N 0 0 332.408 1.267 10 0 EDAERN CN(C[C@@H]1CCc2nccn2C1)C(=O)Nc1cnc2ccnn2c1 ZINC000888921689 590743247 /nfs/dbraw/zinc/74/32/47/590743247.db2.gz DPUVGTHPHSMERS-LBPRGKRZSA-N 0 0 325.376 1.652 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC000888077517 590933038 /nfs/dbraw/zinc/93/30/38/590933038.db2.gz GHNXUVLHEJBGLE-UKRRQHHQSA-N 0 0 325.372 1.817 10 0 EDAERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c(C(F)(F)F)o1 ZINC000888079344 590936159 /nfs/dbraw/zinc/93/61/59/590936159.db2.gz YNAVTRCDBORSMD-HBNTYKKESA-N 0 0 329.278 1.908 10 0 EDAERN CCc1noc([C@H](C)N2CCN(c3nccn4ccnc34)CC2)n1 ZINC000892363765 590990143 /nfs/dbraw/zinc/99/01/43/590990143.db2.gz FHCJTRSGJVIJJY-LBPRGKRZSA-N 0 0 327.392 1.558 10 0 EDAERN COCCN1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@H]1C ZINC000896421309 591462553 /nfs/dbraw/zinc/46/25/53/591462553.db2.gz WUQXYEMGUUUMKW-CJNGLKHVSA-N 0 0 331.416 1.040 10 0 EDAERN CC(=O)N[C@@H]1CCCN(Cn2nc(N(C)C)n(C(C)C)c2=S)C1 ZINC000103457886 593302512 /nfs/dbraw/zinc/30/25/12/593302512.db2.gz GMAUQTIBCBCXKC-CYBMUJFWSA-N 0 0 340.497 1.619 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CC[C@@H](O)C2)[C@H](O)c2ccccc21 ZINC000821402305 593827221 /nfs/dbraw/zinc/82/72/21/593827221.db2.gz PJHCMKPDGJTZHH-UHOFOFEASA-N 0 0 334.416 1.910 10 0 EDAERN CCCCCCNC(=O)CN1CCN(c2nccc(OCC)n2)CC1 ZINC000106152812 595135339 /nfs/dbraw/zinc/13/53/39/595135339.db2.gz YWMWFTJCMMZPPJ-UHFFFAOYSA-N 0 0 349.479 1.694 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000105838740 595469961 /nfs/dbraw/zinc/46/99/61/595469961.db2.gz IWBDBFDEXBCQFH-GFCCVEGCSA-N 0 0 340.855 1.317 10 0 EDAERN CN(C)c1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1 ZINC000858007934 595684819 /nfs/dbraw/zinc/68/48/19/595684819.db2.gz DXTNSJYAGIIQOI-XJKSGUPXSA-N 0 0 343.431 1.779 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)CC(C)(C)C ZINC000858008734 595684828 /nfs/dbraw/zinc/68/48/28/595684828.db2.gz WPIZNEZEUJVHJW-QWHCGFSZSA-N 0 0 329.466 1.853 10 0 EDAERN Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)C=C4CCCCC4)C3)C2)n1 ZINC000864679573 596306018 /nfs/dbraw/zinc/30/60/18/596306018.db2.gz VRWLWJOMIHPVQZ-AWEZNQCLSA-N 0 0 344.415 1.795 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000119353440 596522577 /nfs/dbraw/zinc/52/25/77/596522577.db2.gz GWPLPCPUQYSHNZ-LLVKDONJSA-N 0 0 332.335 1.432 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)C[C@@H]2C(=O)Nc3ccccc32)n1 ZINC000121020822 596861874 /nfs/dbraw/zinc/86/18/74/596861874.db2.gz IVMIPFCTHADGCU-JSGCOSHPSA-N 0 0 342.355 1.404 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(CN3CC(C)(C)OC3=O)CC2)cn1 ZINC000124163074 597000491 /nfs/dbraw/zinc/00/04/91/597000491.db2.gz XKOSDUDZELBUKH-UHFFFAOYSA-N 0 0 349.479 1.944 10 0 EDAERN COc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1Cl ZINC000126431865 597476627 /nfs/dbraw/zinc/47/66/27/597476627.db2.gz NKJNJZWEDHJXEW-SNVBAGLBSA-N 0 0 332.809 1.064 10 0 EDAERN C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1 ZINC000026622128 597636033 /nfs/dbraw/zinc/63/60/33/597636033.db2.gz HQENLTWUCCBYIT-LAHYYIKRSA-N 0 0 347.802 1.628 10 0 EDAERN CCN1C(=O)CN(CNC2(c3noc(C4CC4)n3)CCCC2)C1=O ZINC000132250960 597815855 /nfs/dbraw/zinc/81/58/55/597815855.db2.gz XEVJHPALMDKCNX-UHFFFAOYSA-N 0 0 333.392 1.548 10 0 EDAERN COC(=O)[C@@H]1CCCN(Cn2nc(CO)n(C3CC3)c2=S)C1 ZINC000132883203 597909790 /nfs/dbraw/zinc/90/97/90/597909790.db2.gz DUIUNMGQVPKLOA-SNVBAGLBSA-N 0 0 326.422 1.084 10 0 EDAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175248789 697706906 /nfs/dbraw/zinc/70/69/06/697706906.db2.gz RJPHBLVQSBGGFH-NWDGAFQWSA-N 0 0 333.388 1.389 10 0 EDAERN CN(C)S(=O)(=O)CCCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000184795523 698263441 /nfs/dbraw/zinc/26/34/41/698263441.db2.gz LMNLSPGCBBQPND-VXGBXAGGSA-N 0 0 347.383 1.893 10 0 EDAERN CC(C)(C#N)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000180125939 698600617 /nfs/dbraw/zinc/60/06/17/698600617.db2.gz LSLCSSPAZHGFJD-AWEZNQCLSA-N 0 0 336.413 1.933 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCc3ccnn3C)C2)n1 ZINC000185002747 698785688 /nfs/dbraw/zinc/78/56/88/698785688.db2.gz QBESUWODUWXMFC-HNNXBMFYSA-N 0 0 345.451 1.293 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCc2ccnn2C)C1 ZINC000185016419 698834811 /nfs/dbraw/zinc/83/48/11/698834811.db2.gz SQNUHKKPJCIIFR-OAHLLOKOSA-N 0 0 330.436 1.768 10 0 EDAERN Cc1noc([C@H](C)N2CCN(Cn3cc([N+](=O)[O-])c(C)n3)CC2)n1 ZINC000183344974 701594105 /nfs/dbraw/zinc/59/41/05/701594105.db2.gz YZMDSIOXTYRVPP-NSHDSACASA-N 0 0 335.368 1.127 10 0 EDAERN C[C@H]1Sc2ccc(S(=O)(=O)NCc3cccnc3)cc2NC1=O ZINC000006783336 201696696 /nfs/dbraw/zinc/69/66/96/201696696.db2.gz TZULWTKKMDZHHT-SNVBAGLBSA-N 0 0 349.437 1.993 10 0 EDAERN CCCSc1nsc(NC(=O)C[NH2+][C@@H](C(=O)[O-])C2CC2)n1 ZINC000054522674 214242275 /nfs/dbraw/zinc/24/22/75/214242275.db2.gz APOCZRCXCHLIOY-SECBINFHSA-N 0 0 330.435 1.432 10 0 EDAERN COCCNCc1nnnn1[C@@H](C)c1ccc(Br)cc1 ZINC000054747840 214254379 /nfs/dbraw/zinc/25/43/79/214254379.db2.gz IUNSFJZJALINDU-JTQLQIEISA-N 0 0 340.225 1.781 10 0 EDAERN Cc1cc(S(N)(=O)=O)cc(NC(=O)c2csc(N)n2)c1C ZINC000055186087 214285718 /nfs/dbraw/zinc/28/57/18/214285718.db2.gz RAUPSWNWIWYYPS-UHFFFAOYSA-N 0 0 326.403 1.242 10 0 EDAERN Nc1cc(Br)ccc1N1CC[C@H](N2CCOCC2)C1 ZINC000062976151 214740007 /nfs/dbraw/zinc/74/00/07/214740007.db2.gz UOXRBFUGQFPNQV-LBPRGKRZSA-N 0 0 326.238 1.942 10 0 EDAERN C[C@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1nc2ccccc2[nH]1 ZINC000173788858 231034722 /nfs/dbraw/zinc/03/47/22/231034722.db2.gz PDBAQEMLZMVYAQ-KBPBESRZSA-N 0 0 343.431 1.740 10 0 EDAERN O=C(NCc1cccc2cccnc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173796414 231036658 /nfs/dbraw/zinc/03/66/58/231036658.db2.gz YZUKJAXBNDAXGH-QGZVFWFLSA-N 0 0 340.427 1.851 10 0 EDAERN C[C@H](C(=O)N1CCc2ccccc21)N1CCN(Cc2ccon2)CC1 ZINC000173938700 231074096 /nfs/dbraw/zinc/07/40/96/231074096.db2.gz AHNYJDOQQQARFN-OAHLLOKOSA-N 0 0 340.427 1.770 10 0 EDAERN Cc1c(Cl)cccc1NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173935221 231074277 /nfs/dbraw/zinc/07/42/77/231074277.db2.gz QXIAIRHSZVDGTK-CQSZACIVSA-N 0 0 337.851 1.993 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1F ZINC000056058414 214355251 /nfs/dbraw/zinc/35/52/51/214355251.db2.gz CNQGUHXWBBDJDR-GFCCVEGCSA-N 0 0 328.409 1.693 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C(C)C)n[nH]3)C2=O)n(C)n1 ZINC000175009929 231365647 /nfs/dbraw/zinc/36/56/47/231365647.db2.gz PBKBGFPPZKYZNX-LBPRGKRZSA-N 0 0 344.419 1.500 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000181858691 529698555 /nfs/dbraw/zinc/69/85/55/529698555.db2.gz GWXVYNWLZZTEHW-SJORKVTESA-N 0 0 349.475 1.860 10 0 EDAERN CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2C(N)=S)c1 ZINC000061885897 214682598 /nfs/dbraw/zinc/68/25/98/214682598.db2.gz ZQDBXCWFZLLMHC-NWDGAFQWSA-N 0 0 326.443 1.275 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnc3onc(CC)c3c1)CC2 ZINC000172259696 529751093 /nfs/dbraw/zinc/75/10/93/529751093.db2.gz MFUCJVIBJSOGED-NSHDSACASA-N 0 0 340.387 1.684 10 0 EDAERN NS(=O)(=O)c1ccc(CCCNC(=O)c2cscn2)cc1 ZINC000062357924 214712456 /nfs/dbraw/zinc/71/24/56/214712456.db2.gz JARXOQAYVNDUOB-UHFFFAOYSA-N 0 0 325.415 1.153 10 0 EDAERN CN(CC(C)(CO)CO)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184254332 529849417 /nfs/dbraw/zinc/84/94/17/529849417.db2.gz OAJGQAPBVSSQHP-ZDUSSCGKSA-N 0 0 348.365 1.792 10 0 EDAERN CNC(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccccc2)c1 ZINC000172922275 529945184 /nfs/dbraw/zinc/94/51/84/529945184.db2.gz FTTUMGNWOGVRJO-OAHLLOKOSA-N 0 0 326.352 1.690 10 0 EDAERN CCCCN(C)C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000012021320 201822473 /nfs/dbraw/zinc/82/24/73/201822473.db2.gz XEQHKSHXAKFNGC-GFCCVEGCSA-N 0 0 338.429 1.871 10 0 EDAERN NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1ccccc1F ZINC000685942012 539581267 /nfs/dbraw/zinc/58/12/67/539581267.db2.gz LCXLJXQIFDDGAZ-AWEZNQCLSA-N 0 0 330.363 1.944 10 0 EDAERN COCC(=O)N1CCN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000181932364 234384623 /nfs/dbraw/zinc/38/46/23/234384623.db2.gz FTUPDRHZFMUODJ-KDOFPFPSSA-N 0 0 345.443 1.729 10 0 EDAERN C[C@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000182508834 234646481 /nfs/dbraw/zinc/64/64/81/234646481.db2.gz VJGJQMHBFXDYGI-LLVKDONJSA-N 0 0 348.428 1.975 10 0 EDAERN Cc1cc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)[nH]c(=O)n1 ZINC000182695382 540133292 /nfs/dbraw/zinc/13/32/92/540133292.db2.gz KPUAZUOVXAQSQA-OAHLLOKOSA-N 0 0 342.399 1.780 10 0 EDAERN C[C@H](NCc1nc(-c2ccoc2)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000182855074 540133930 /nfs/dbraw/zinc/13/39/30/540133930.db2.gz XXMILVGRCFBGTM-JTQLQIEISA-N 0 0 348.384 1.828 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCCn1ccnn1)C(C)C ZINC000182904375 540134690 /nfs/dbraw/zinc/13/46/90/540134690.db2.gz OIPRYWKITPQJPT-INIZCTEOSA-N 0 0 343.431 1.547 10 0 EDAERN O=C(CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)NCC1CC1 ZINC000183800961 235229628 /nfs/dbraw/zinc/22/96/28/235229628.db2.gz LZUXYLCQDQYBRA-UONOGXRCSA-N 0 0 335.404 1.403 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000189130021 540162805 /nfs/dbraw/zinc/16/28/05/540162805.db2.gz MPVVFRUNMUNEAX-MOIQIXESSA-N 0 0 346.427 1.265 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000184005728 235283863 /nfs/dbraw/zinc/28/38/63/235283863.db2.gz AVCZEUJFHLYDRB-VXGBXAGGSA-N 0 0 343.214 1.502 10 0 EDAERN C[C@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)N1CCOCC1 ZINC000046268957 138115957 /nfs/dbraw/zinc/11/59/57/138115957.db2.gz ZCAOOJBVNIYNHX-OAHLLOKOSA-N 0 0 345.443 1.260 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000041600691 138103417 /nfs/dbraw/zinc/10/34/17/138103417.db2.gz GEJILFQQZSBOEC-CQSZACIVSA-N 0 0 347.459 1.760 10 0 EDAERN O=C(NCCNC(=O)c1ccccc1)N[C@@H]1COc2ccccc21 ZINC000058574738 138160235 /nfs/dbraw/zinc/16/02/35/138160235.db2.gz JEPKHZFQIQEOSX-OAHLLOKOSA-N 0 0 325.368 1.849 10 0 EDAERN CC(=O)Nc1cccc(NS(=O)(=O)c2sc(=O)[nH]c2C)c1 ZINC000037856265 202045470 /nfs/dbraw/zinc/04/54/70/202045470.db2.gz XMVLRHFFMFOGFT-UHFFFAOYSA-N 0 0 327.387 1.916 10 0 EDAERN Cc1ccc(N2C[C@@H](C(=O)N3CCN(C)CC3)CC2=O)cc1Cl ZINC000021348443 202063958 /nfs/dbraw/zinc/06/39/58/202063958.db2.gz AXOKXZPDPAXNEZ-ZDUSSCGKSA-N 0 0 335.835 1.775 10 0 EDAERN COC1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1 ZINC000037929465 202065166 /nfs/dbraw/zinc/06/51/66/202065166.db2.gz OVXCHAUIXPXCPX-UHFFFAOYSA-N 0 0 349.250 1.831 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1 ZINC000038008558 202082090 /nfs/dbraw/zinc/08/20/90/202082090.db2.gz FMKINWRSCKYXIP-SNVBAGLBSA-N 0 0 332.809 1.699 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1F ZINC000084179922 138269623 /nfs/dbraw/zinc/26/96/23/138269623.db2.gz FESXLVVJRSJMGX-SKDRFNHKSA-N 0 0 330.381 1.031 10 0 EDAERN [NH3+][C@H]1CCN(c2cc(F)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2)C1 ZINC000026154739 202139049 /nfs/dbraw/zinc/13/90/49/202139049.db2.gz RDPARCVSZFSRSF-VIFPVBQESA-N 0 0 331.347 1.711 10 0 EDAERN Cc1cc(Br)ccc1NC(=O)CSC[C@@H](O)CO ZINC000093958887 138295146 /nfs/dbraw/zinc/29/51/46/138295146.db2.gz UFJBAWWLOHUQRB-JTQLQIEISA-N 0 0 334.235 1.782 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1cc(F)ccc1F ZINC000105798349 138301806 /nfs/dbraw/zinc/30/18/06/138301806.db2.gz YFHTUBZDIGAYQI-UHFFFAOYSA-N 0 0 347.369 1.906 10 0 EDAERN Cc1nn(C)c(N2CCOCC2)c1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000120351703 138315459 /nfs/dbraw/zinc/31/54/59/138315459.db2.gz OJCJTFCLFBSYDA-DLBZAZTESA-N 0 0 334.464 1.709 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1cc(C)ccc1C)CC2 ZINC000114867705 138310686 /nfs/dbraw/zinc/31/06/86/138310686.db2.gz JKZMDHJFOCBWKC-CQSZACIVSA-N 0 0 328.416 1.967 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1ccccc1)CC2 ZINC000114976175 138310980 /nfs/dbraw/zinc/31/09/80/138310980.db2.gz CIVNMAGVHXYTCT-KBPBESRZSA-N 0 0 329.404 1.188 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)Nc3ccnn3C)CC2)n1 ZINC000124527553 138327382 /nfs/dbraw/zinc/32/73/82/138327382.db2.gz NNPOIZUOJDHAPR-UHFFFAOYSA-N 0 0 345.407 1.271 10 0 EDAERN O=C(CCCNC(=O)c1cccnc1)N1CCC(c2cc[nH]n2)CC1 ZINC000124070991 138323540 /nfs/dbraw/zinc/32/35/40/138323540.db2.gz JNWOGJJQVJVVDX-UHFFFAOYSA-N 0 0 341.415 1.721 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 ZINC000124514094 138327224 /nfs/dbraw/zinc/32/72/24/138327224.db2.gz NNPMOKIRLWFUAN-DOMZBBRYSA-N 0 0 328.372 1.495 10 0 EDAERN O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000125677831 138335561 /nfs/dbraw/zinc/33/55/61/138335561.db2.gz SSSYQIZNXIVZHD-LLVKDONJSA-N 0 0 344.337 1.527 10 0 EDAERN Cn1cnc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1Cl ZINC000132708887 138381758 /nfs/dbraw/zinc/38/17/58/138381758.db2.gz WOSQGSCTNOJNAX-NSHDSACASA-N 0 0 342.808 1.311 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135284024 138421809 /nfs/dbraw/zinc/42/18/09/138421809.db2.gz WDLXJBACGJRNTG-AWEZNQCLSA-N 0 0 333.436 1.257 10 0 EDAERN C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1nnc2n1CCCC2 ZINC000135257695 138421433 /nfs/dbraw/zinc/42/14/33/138421433.db2.gz QMUFRWCYNUIAQH-NSHDSACASA-N 0 0 338.375 1.081 10 0 EDAERN O=C(CCC(=O)N1CCN(Cc2ccon2)CC1)NC1CCCC1 ZINC000153761009 138502705 /nfs/dbraw/zinc/50/27/05/138502705.db2.gz UHEJDRGFUFDLFU-UHFFFAOYSA-N 0 0 334.420 1.158 10 0 EDAERN O=C(Nc1cccc(C(F)F)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187981292 236368380 /nfs/dbraw/zinc/36/83/80/236368380.db2.gz ACDGISGPSRPIAV-UHFFFAOYSA-N 0 0 337.326 1.300 10 0 EDAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126095821 138611212 /nfs/dbraw/zinc/61/12/12/138611212.db2.gz DYEDHMNLUAAMKO-UHFFFAOYSA-N 0 0 341.371 1.573 10 0 EDAERN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000127837349 138618050 /nfs/dbraw/zinc/61/80/50/138618050.db2.gz CZNTZATZAJHVGY-ZDUSSCGKSA-N 0 0 348.428 1.234 10 0 EDAERN CNC(=O)Cn1c2sc(C)nc2c(-c2cccc(OC)c2)nc1=O ZINC000032615805 202228985 /nfs/dbraw/zinc/22/89/85/202228985.db2.gz YKZJCJYKKMOZBN-UHFFFAOYSA-N 0 0 344.396 1.583 10 0 EDAERN COC(=O)[C@@](C)(C[C@@H](C)SCCS(C)(=O)=O)NC(C)C ZINC000068643624 202230755 /nfs/dbraw/zinc/23/07/55/202230755.db2.gz XBOHXULWYRASLZ-DGCLKSJQSA-N 0 0 325.496 1.473 10 0 EDAERN CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCn3nc(COC)nc32)CCO1 ZINC000180456119 138759563 /nfs/dbraw/zinc/75/95/63/138759563.db2.gz XRMBTQZQKOWUMV-BFHYXJOUSA-N 0 0 336.436 1.971 10 0 EDAERN COC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 ZINC000035999549 202311424 /nfs/dbraw/zinc/31/14/24/202311424.db2.gz WWGQWGQGGRLCOJ-HOCLYGCPSA-N 0 0 344.411 1.820 10 0 EDAERN COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)[nH]c(=O)n2)cc1 ZINC000036141472 202317438 /nfs/dbraw/zinc/31/74/38/202317438.db2.gz YBHWFSHKIBVRRD-UHFFFAOYSA-N 0 0 326.312 1.994 10 0 EDAERN CCOC(=O)CCNS(=O)(=O)CCSc1ccccc1N ZINC000070215676 202319078 /nfs/dbraw/zinc/31/90/78/202319078.db2.gz XNYQYVLHYUGYIB-UHFFFAOYSA-N 0 0 332.447 1.234 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C(N)=S)CCO1 ZINC000070395196 202333393 /nfs/dbraw/zinc/33/33/93/202333393.db2.gz HYECPHVYBBLXAY-SECBINFHSA-N 0 0 332.422 1.259 10 0 EDAERN NS(=O)(=O)CCOCCOc1c(F)c(F)c(F)c(F)c1F ZINC000070490297 202334047 /nfs/dbraw/zinc/33/40/47/202334047.db2.gz AEQLMVHMRNAANK-UHFFFAOYSA-N 0 0 335.250 1.066 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cn(C(C)(C)C)nc1C)CC2 ZINC000182437750 138776322 /nfs/dbraw/zinc/77/63/22/138776322.db2.gz HDWPPQYNDURPIR-GFCCVEGCSA-N 0 0 330.436 1.845 10 0 EDAERN NS(=O)(=O)c1ccc(NCc2cc[nH]n2)c(Br)c1 ZINC000037138056 202336246 /nfs/dbraw/zinc/33/62/46/202336246.db2.gz PNRATIGTXLQMFD-UHFFFAOYSA-N 0 0 331.195 1.432 10 0 EDAERN NS(=O)(=O)c1ccc(NC[C@@H]2CCOC2)c(Br)c1 ZINC000037138040 202336471 /nfs/dbraw/zinc/33/64/71/202336471.db2.gz IWAOWPMMSBORLF-QMMMGPOBSA-N 0 0 335.223 1.545 10 0 EDAERN CC(C)N(CCO)S(=O)(=O)c1ccc(Br)s1 ZINC000036797222 202332546 /nfs/dbraw/zinc/33/25/46/202332546.db2.gz AZTINRLKTXLGCU-UHFFFAOYSA-N 0 0 328.253 1.902 10 0 EDAERN Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000071415372 202348924 /nfs/dbraw/zinc/34/89/24/202348924.db2.gz MBOWUZBUADAYDU-UHFFFAOYSA-N 0 0 334.463 1.621 10 0 EDAERN COCCN(CCC(N)=S)S(=O)(=O)c1cc(F)ccc1F ZINC000071225273 202342035 /nfs/dbraw/zinc/34/20/35/202342035.db2.gz KUPNREMGFKWILK-UHFFFAOYSA-N 0 0 338.401 1.278 10 0 EDAERN COCCN(CCC(N)=S)C(=O)c1ccc(Br)cn1 ZINC000071224607 202342120 /nfs/dbraw/zinc/34/21/20/202342120.db2.gz CFNOVDSTATYQMH-UHFFFAOYSA-N 0 0 346.250 1.609 10 0 EDAERN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnccc1NN ZINC000071220429 202342864 /nfs/dbraw/zinc/34/28/64/202342864.db2.gz XZNAZLIFTFZYLH-UHFFFAOYSA-N 0 0 326.809 1.841 10 0 EDAERN COCCN(CCC(N)=S)S(=O)(=O)c1cccc(Cl)c1 ZINC000071225225 202342938 /nfs/dbraw/zinc/34/29/38/202342938.db2.gz MIGJEFPYWPGONL-UHFFFAOYSA-N 0 0 336.866 1.653 10 0 EDAERN CN(C(=O)c1ccc2nc(N)sc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000071698687 202353636 /nfs/dbraw/zinc/35/36/36/202353636.db2.gz RFVFWLQIHTVNMX-VIFPVBQESA-N 0 0 325.415 1.138 10 0 EDAERN Nc1ccc(S(=O)(=O)NCCn2cccn2)cc1Br ZINC000071384656 202347448 /nfs/dbraw/zinc/34/74/48/202347448.db2.gz FXDCVHNLKBOHMM-UHFFFAOYSA-N 0 0 345.222 1.206 10 0 EDAERN CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(N)c(Br)c1 ZINC000071384634 202347834 /nfs/dbraw/zinc/34/78/34/202347834.db2.gz QWDSUOAERTXYMG-VIFPVBQESA-N 0 0 349.250 1.831 10 0 EDAERN CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1cnc(Cl)s1 ZINC000038106527 202394179 /nfs/dbraw/zinc/39/41/79/202394179.db2.gz LJXVGTHNKUNPTH-SSDOTTSWSA-N 0 0 325.843 1.332 10 0 EDAERN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000133046066 283555016 /nfs/dbraw/zinc/55/50/16/283555016.db2.gz DYGKXCAJKDNCDW-ARFHVFGLSA-N 0 0 333.432 1.938 10 0 EDAERN CCn1cnc2sc(C(=O)N3CCN(C(C)=O)CC3)c(C)c2c1=O ZINC000041293567 202479083 /nfs/dbraw/zinc/47/90/83/202479083.db2.gz SVSYVQWMFLYSDA-UHFFFAOYSA-N 0 0 348.428 1.091 10 0 EDAERN C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000041249588 202479571 /nfs/dbraw/zinc/47/95/71/202479571.db2.gz NPAQPWNHBBSUKD-NUEKZKHPSA-N 0 0 332.400 1.270 10 0 EDAERN O=C(NC1CCCCC1)N1CCN(S(=O)(=O)C2CCCC2)CC1 ZINC000041379280 202479870 /nfs/dbraw/zinc/47/98/70/202479870.db2.gz SNDKFAMUGPFLFW-UHFFFAOYSA-N 0 0 343.493 1.919 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190131667 238242492 /nfs/dbraw/zinc/24/24/92/238242492.db2.gz RCXGMESWRCSOMG-CYBMUJFWSA-N 0 0 343.387 1.109 10 0 EDAERN Cn1cc(N2CC[C@H](N3CC[C@H](Oc4ccncc4)C3)C2=O)cn1 ZINC000131771852 223271176 /nfs/dbraw/zinc/27/11/76/223271176.db2.gz FLRBLVPGFBJUBM-HOTGVXAUSA-N 0 0 327.388 1.074 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)CC2 ZINC000114873273 201071329 /nfs/dbraw/zinc/07/13/29/201071329.db2.gz QTTCUOIJIXUKTG-GFCCVEGCSA-N 0 0 341.415 1.152 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnc3onc(C)c3c1)CC2 ZINC000114862009 201071719 /nfs/dbraw/zinc/07/17/19/201071719.db2.gz FLSIBIURABPBHC-NSHDSACASA-N 0 0 326.360 1.430 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)CC2 ZINC000114870390 201071846 /nfs/dbraw/zinc/07/18/46/201071846.db2.gz GUENJUBTIFWMJR-OAHLLOKOSA-N 0 0 341.415 1.221 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)CC2 ZINC000114864575 201071937 /nfs/dbraw/zinc/07/19/37/201071937.db2.gz RSYYQRYIDFKILK-CYBMUJFWSA-N 0 0 339.399 1.470 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(=O)OC)cc1)CC2 ZINC000114871867 201072177 /nfs/dbraw/zinc/07/21/77/201072177.db2.gz IZVTZCCAXSKHLR-ZDUSSCGKSA-N 0 0 328.372 1.372 10 0 EDAERN C[C@@H](CC(=O)NC[C@H](C)N1CCOCC1)C(=O)c1cccc(F)c1 ZINC000072899486 216325574 /nfs/dbraw/zinc/32/55/74/216325574.db2.gz IIWTZKLQBQLKRS-KBPBESRZSA-N 0 0 336.407 1.872 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC000044683096 201102643 /nfs/dbraw/zinc/10/26/43/201102643.db2.gz RNFYVDLOSCBWCY-OAHLLOKOSA-N 0 0 326.352 1.820 10 0 EDAERN O=S(=O)(c1cccc(Br)c1)N1CCn2ccnc2C1 ZINC000062329718 201145888 /nfs/dbraw/zinc/14/58/88/201145888.db2.gz RITJEFNBINHMSE-UHFFFAOYSA-N 0 0 342.218 1.850 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(CO)c2)CCS1 ZINC000158376013 201356827 /nfs/dbraw/zinc/35/68/27/201356827.db2.gz TTWRQIIYZUAADF-LBPRGKRZSA-N 0 0 331.459 1.704 10 0 EDAERN CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cccc(Cl)c1N ZINC000155940766 201397961 /nfs/dbraw/zinc/39/79/61/201397961.db2.gz JUSHTNRHZBVTMF-SNVBAGLBSA-N 0 0 334.850 1.482 10 0 EDAERN C[C@H]1SCCN(S(=O)(=O)c2ccc(OCCO)cc2)[C@@H]1C ZINC000156956435 201401329 /nfs/dbraw/zinc/40/13/29/201401329.db2.gz RMNDZSFRBKOBFR-VXGBXAGGSA-N 0 0 331.459 1.572 10 0 EDAERN O=C(NC1CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1)C1CCC1 ZINC000188525131 138844066 /nfs/dbraw/zinc/84/40/66/138844066.db2.gz HWGJHQRJAYZXKZ-UHFFFAOYSA-N 0 0 345.374 1.451 10 0 EDAERN CCN(CCCO)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000158921643 201407117 /nfs/dbraw/zinc/40/71/17/201407117.db2.gz VRBLPHXSFFBUIK-UHFFFAOYSA-N 0 0 332.809 1.228 10 0 EDAERN CC(=O)[C@@H](NC(=O)Cn1nc(C)c(Br)c1C)C(C)C ZINC000050593721 202633237 /nfs/dbraw/zinc/63/32/37/202633237.db2.gz WKKRQGBMSMAXLR-ZDUSSCGKSA-N 0 0 330.226 1.992 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188770353 138851293 /nfs/dbraw/zinc/85/12/93/138851293.db2.gz SVAQDOQRBFZLQK-QQCTVRFVSA-N 0 0 336.429 1.217 10 0 EDAERN CC(=O)Nc1cccc(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1C ZINC000188783353 138851834 /nfs/dbraw/zinc/85/18/34/138851834.db2.gz ZXECMOOXXSEIQY-HNNXBMFYSA-N 0 0 344.371 1.859 10 0 EDAERN COC(=O)c1csc(NCc2ccc(S(C)(=O)=O)cc2)n1 ZINC000164642843 201419356 /nfs/dbraw/zinc/41/93/56/201419356.db2.gz CRZJLJHNSFRDPW-UHFFFAOYSA-N 0 0 326.399 1.945 10 0 EDAERN Nc1cc(Cl)cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000165195664 201421334 /nfs/dbraw/zinc/42/13/34/201421334.db2.gz IADIRDAQQUIRKA-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN CN1C[C@H](NC(=O)c2cc(N)cc(Br)c2)CCC1=O ZINC000166043329 201422645 /nfs/dbraw/zinc/42/26/45/201422645.db2.gz FWRRQSAQRCBWME-LLVKDONJSA-N 0 0 326.194 1.382 10 0 EDAERN CN(C)c1cc(C(=O)N2CC(NC(=O)C3CC3)C2)c2ccccc2n1 ZINC000189437906 138873188 /nfs/dbraw/zinc/87/31/88/138873188.db2.gz XPSAOFGMUMMMDI-UHFFFAOYSA-N 0 0 338.411 1.651 10 0 EDAERN COC(=O)C(C(=O)OC)([C@H](O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000059367654 202777166 /nfs/dbraw/zinc/77/71/66/202777166.db2.gz CANNVVLXSYYGSP-HZPDHXFCSA-N 0 0 344.363 1.786 10 0 EDAERN COc1ccc(N(C)C(=O)CNS(=O)(=O)c2cccs2)cc1 ZINC000000213738 201449641 /nfs/dbraw/zinc/44/96/41/201449641.db2.gz IVOXPFQKCBHIRT-UHFFFAOYSA-N 0 0 340.426 1.698 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000109927805 220002849 /nfs/dbraw/zinc/00/28/49/220002849.db2.gz WIHQLBSVPOEAQJ-NSHDSACASA-N 0 0 339.823 1.550 10 0 EDAERN NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccccc1 ZINC000005933517 201667881 /nfs/dbraw/zinc/66/78/81/201667881.db2.gz RHUWQQVQZFRKRU-UHFFFAOYSA-N 0 0 339.804 1.698 10 0 EDAERN FC(F)(F)Cn1nnnc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000190946188 138900511 /nfs/dbraw/zinc/90/05/11/138900511.db2.gz WDCXPEOAXVZYDO-NSHDSACASA-N 0 0 328.298 1.284 10 0 EDAERN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2N)cc1 ZINC000020546746 212145691 /nfs/dbraw/zinc/14/56/91/212145691.db2.gz PZFJRDWDKWVGEX-UHFFFAOYSA-N 0 0 326.399 1.473 10 0 EDAERN CN1CCN(C(=O)c2cccnc2-n2cncn2)Cc2ccccc21 ZINC000069657585 203033185 /nfs/dbraw/zinc/03/31/85/203033185.db2.gz HTYMZYJVBBLNSV-UHFFFAOYSA-N 0 0 334.383 1.755 10 0 EDAERN Cc1nc(S(=O)(=O)NCc2ccccc2Br)c[nH]1 ZINC000070419726 203076067 /nfs/dbraw/zinc/07/60/67/203076067.db2.gz NKOWMEMAWFZGJY-UHFFFAOYSA-N 0 0 330.207 1.959 10 0 EDAERN NC(=O)C1CCN(C(=O)c2coc(NC(=O)c3ccccc3)n2)CC1 ZINC000070844771 203082491 /nfs/dbraw/zinc/08/24/91/203082491.db2.gz DBKRPCSFUIDBQT-UHFFFAOYSA-N 0 0 342.355 1.264 10 0 EDAERN Cc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(F)cc2)n1 ZINC000070456652 203077279 /nfs/dbraw/zinc/07/72/79/203077279.db2.gz PDYFBIADSWODTQ-UHFFFAOYSA-N 0 0 330.363 1.798 10 0 EDAERN CCOc1cccn(CC(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000071501795 203098356 /nfs/dbraw/zinc/09/83/56/203098356.db2.gz SYHIZDJZASXQHN-UHFFFAOYSA-N 0 0 330.340 1.672 10 0 EDAERN COc1cccn([C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)c1=O ZINC000071502401 203098973 /nfs/dbraw/zinc/09/89/73/203098973.db2.gz KIFHKFLOOUUNEH-SNVBAGLBSA-N 0 0 328.324 1.632 10 0 EDAERN COC(=O)CCN(C(=O)COc1cccc(OC)c1)C(C)(C)CO ZINC000071626937 203100720 /nfs/dbraw/zinc/10/07/20/203100720.db2.gz GNYVQQSSHCQWDG-UHFFFAOYSA-N 0 0 339.388 1.237 10 0 EDAERN COC(=O)CCN(CCCN1CCOCC1)C(=O)Nc1ccccc1 ZINC000071623187 203101526 /nfs/dbraw/zinc/10/15/26/203101526.db2.gz MNGYMFSPOLZDGP-UHFFFAOYSA-N 0 0 349.431 1.806 10 0 EDAERN CCOC(=O)CNS(=O)(=O)c1ccc(-c2cccc(N)c2)cc1 ZINC000071709945 203103328 /nfs/dbraw/zinc/10/33/28/203103328.db2.gz AVTPUCRZTKFSJO-UHFFFAOYSA-N 0 0 334.397 1.777 10 0 EDAERN COC(=O)[C@@H](CCSC)NC(=O)c1ccc2nc(N)sc2c1 ZINC000071699394 203104091 /nfs/dbraw/zinc/10/40/91/203104091.db2.gz RQFZAINFRHLRMM-SNVBAGLBSA-N 0 0 339.442 1.903 10 0 EDAERN Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cnn(C(C)C)c1 ZINC000072239158 203183776 /nfs/dbraw/zinc/18/37/76/203183776.db2.gz QGQZHFKWLXCMEV-UHFFFAOYSA-N 0 0 325.438 1.635 10 0 EDAERN CSc1nc2nnc(-c3ccnc(N4CCCCC4)n3)c(C)n2n1 ZINC000072452484 203226848 /nfs/dbraw/zinc/22/68/48/203226848.db2.gz AEDCVCISRUWDLQ-UHFFFAOYSA-N 0 0 342.432 1.997 10 0 EDAERN COC(=O)Cc1nn(-c2ccc(Cl)cc2)c2c1nnc1ncnn12 ZINC000072461529 203228350 /nfs/dbraw/zinc/22/83/50/203228350.db2.gz RATLWLIPBAEQFY-UHFFFAOYSA-N 0 0 343.734 1.227 10 0 EDAERN O=C(C[C@H]1COCCN1Cc1ccco1)NCc1cc(C2CC2)n[nH]1 ZINC000072407028 203215485 /nfs/dbraw/zinc/21/54/85/203215485.db2.gz ZLWOFVCJDPSHSI-HNNXBMFYSA-N 0 0 344.415 1.787 10 0 EDAERN CCc1ccc([C@H](COC)NC(=O)NC[C@H](C)N2CCOCC2)o1 ZINC000073652329 203269938 /nfs/dbraw/zinc/26/99/38/203269938.db2.gz LEPCTZNTHRZDGL-ZFWWWQNUSA-N 0 0 339.436 1.549 10 0 EDAERN CCNc1nc(NCC)[nH]c(=NNC(=S)NCc2ccccc2)n1 ZINC000073667119 203270632 /nfs/dbraw/zinc/27/06/32/203270632.db2.gz XCXQDMXLLHPYRO-UHFFFAOYSA-N 0 0 346.464 1.726 10 0 EDAERN CC[C@H](C)NC(=O)CN1c2cccc(Br)c2C(=O)C1=O ZINC000019966735 212090593 /nfs/dbraw/zinc/09/05/93/212090593.db2.gz APYZFVUNNLMTDN-QMMMGPOBSA-N 0 0 339.189 1.893 10 0 EDAERN Cc1ncn(CCNC(=O)[C@@H](C)Oc2ccccc2F)c(=O)c1C ZINC000075166387 203309664 /nfs/dbraw/zinc/30/96/64/203309664.db2.gz FEGLSTXMRLXVGL-CYBMUJFWSA-N 0 0 333.363 1.583 10 0 EDAERN COc1ccc(CNS(=O)(=O)c2c[nH]c(-c3nnc(C)o3)c2)cc1 ZINC000075349573 203312978 /nfs/dbraw/zinc/31/29/78/203312978.db2.gz HJKFOXGLJSTDOV-UHFFFAOYSA-N 0 0 348.384 1.860 10 0 EDAERN CNC(=O)c1nc(C(C)(C)NC(=O)c2ccsc2)nc2c1OCO2 ZINC000075558531 203317913 /nfs/dbraw/zinc/31/79/13/203317913.db2.gz HOMIHDSRKNRROI-UHFFFAOYSA-N 0 0 348.384 1.292 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000076099101 203338343 /nfs/dbraw/zinc/33/83/43/203338343.db2.gz LYLQLXDGMBRMII-XVKPBYJWSA-N 0 0 332.328 1.146 10 0 EDAERN COc1cc(C=O)cc(Br)c1OCc1cn(C)nn1 ZINC000077252708 203375694 /nfs/dbraw/zinc/37/56/94/203375694.db2.gz NWLRKNGNSBXDFO-UHFFFAOYSA-N 0 0 326.150 1.978 10 0 EDAERN CC(C)NC(=O)c1ccccc1NC(=O)CN1[C@H](C)COC[C@@H]1C ZINC000077370725 203383077 /nfs/dbraw/zinc/38/30/77/203383077.db2.gz FUGRAUAMFYUVRT-OKILXGFUSA-N 0 0 333.432 1.873 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000088200075 203561434 /nfs/dbraw/zinc/56/14/34/203561434.db2.gz WPSZNMBSAQRNQV-GFCCVEGCSA-N 0 0 340.387 1.135 10 0 EDAERN C[C@@H](CC(=O)N1CCOC[C@H]1C(N)=O)c1ccccc1C(F)(F)F ZINC000091783677 203651719 /nfs/dbraw/zinc/65/17/19/203651719.db2.gz CPHGXJFNVPGHJB-GWCFXTLKSA-N 0 0 344.333 1.912 10 0 EDAERN Nc1csc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000041068459 203999761 /nfs/dbraw/zinc/99/97/61/203999761.db2.gz QIGFAHMWOFNGLT-UHFFFAOYSA-N 0 0 343.499 1.898 10 0 EDAERN CCOC(=O)C1CCC(NS(=O)(=O)c2cc(N)cs2)CC1 ZINC000041068552 204000188 /nfs/dbraw/zinc/00/01/88/204000188.db2.gz AEDXBXGOYIBODM-UHFFFAOYSA-N 0 0 332.447 1.731 10 0 EDAERN CCc1nc(CCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cs1 ZINC000102378221 204036175 /nfs/dbraw/zinc/03/61/75/204036175.db2.gz DAYLYPNSJXGKGR-AWEZNQCLSA-N 0 0 346.456 1.644 10 0 EDAERN COC[C@@H](C)C(=O)N[C@@H](c1nccn1C)c1cc(OC)cc(OC)c1 ZINC000103362499 204076151 /nfs/dbraw/zinc/07/61/51/204076151.db2.gz QDIPYQQPOHPQDK-MLGOLLRUSA-N 0 0 347.415 1.925 10 0 EDAERN C[C@H](Oc1cccc(I)c1)C(=O)NC(N)=O ZINC000042199718 204077697 /nfs/dbraw/zinc/07/76/97/204077697.db2.gz YUPJVFIDWWRUEV-LURJTMIESA-N 0 0 334.113 1.253 10 0 EDAERN COC[C@H](C)C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000103432768 204078498 /nfs/dbraw/zinc/07/84/98/204078498.db2.gz WDXYIHROFVWPHS-ZDUSSCGKSA-N 0 0 338.473 1.928 10 0 EDAERN CCN(C)C(=O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21 ZINC000042079079 204062187 /nfs/dbraw/zinc/06/21/87/204062187.db2.gz SRYBBOWMQFUUBB-UHFFFAOYSA-N 0 0 343.152 1.596 10 0 EDAERN Cc1csc(CCCCNC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000104795773 204119242 /nfs/dbraw/zinc/11/92/42/204119242.db2.gz AAWKFVDMOKCCDK-CYBMUJFWSA-N 0 0 326.466 1.404 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000104783215 204120638 /nfs/dbraw/zinc/12/06/38/204120638.db2.gz DIGYTZQHXAUCPE-GFCCVEGCSA-N 0 0 349.328 1.974 10 0 EDAERN CCN(CCNC(=O)NC[C@H]1CN(C)CCO1)c1cccc(C)c1 ZINC000104778578 204120980 /nfs/dbraw/zinc/12/09/80/204120980.db2.gz QZKRWBWTZSXBQI-KRWDZBQOSA-N 0 0 334.464 1.451 10 0 EDAERN CN(Cc1nc2ccccc2s1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104799537 204121468 /nfs/dbraw/zinc/12/14/68/204121468.db2.gz PHNPIRHXFVEJCV-LBPRGKRZSA-N 0 0 334.445 1.768 10 0 EDAERN C[C@@H](CN(C)S(=O)(=O)c1cccc2nsnc21)C(N)=S ZINC000042457109 204099200 /nfs/dbraw/zinc/09/92/00/204099200.db2.gz MVJOKFKZHDTBFW-ZETCQYMHSA-N 0 0 330.460 1.234 10 0 EDAERN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000104223327 204101602 /nfs/dbraw/zinc/10/16/02/204101602.db2.gz OHLGKAJBVJZFDC-SSDOTTSWSA-N 0 0 343.193 1.743 10 0 EDAERN C[C@H](C1CC1)N(C(=O)CN1CCCN(c2cccnn2)CC1)C1CC1 ZINC000105800059 204161099 /nfs/dbraw/zinc/16/10/99/204161099.db2.gz GLVHBYIBMWTSJC-OAHLLOKOSA-N 0 0 343.475 1.778 10 0 EDAERN Cc1cc(NC(=O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)no1 ZINC000105802609 204161182 /nfs/dbraw/zinc/16/11/82/204161182.db2.gz ATEHEJDYIBATND-CYBMUJFWSA-N 0 0 330.392 1.312 10 0 EDAERN O=S(=O)(CCN1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000105797980 204161610 /nfs/dbraw/zinc/16/16/10/204161610.db2.gz LUQKVYZKSFIVFG-UHFFFAOYSA-N 0 0 346.456 1.463 10 0 EDAERN COc1ccccc1CN(C(=O)NC[C@@H]1CN(C)CCO1)C1CC1 ZINC000105281270 204141255 /nfs/dbraw/zinc/14/12/55/204141255.db2.gz FITAIDSHSYIZEI-MRXNPFEDSA-N 0 0 333.432 1.700 10 0 EDAERN CCCOCC(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000105838737 204169622 /nfs/dbraw/zinc/16/96/22/204169622.db2.gz MCJPMUGBGVGFHI-UHFFFAOYSA-N 0 0 342.871 1.707 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105860701 204170678 /nfs/dbraw/zinc/17/06/78/204170678.db2.gz QRSJIVWQLVXRPS-OAHLLOKOSA-N 0 0 341.477 1.960 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105853929 204171086 /nfs/dbraw/zinc/17/10/86/204171086.db2.gz DLKBAYSAOWQTIH-AWEZNQCLSA-N 0 0 337.383 1.568 10 0 EDAERN COC(=O)c1coc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1 ZINC000105864909 204173520 /nfs/dbraw/zinc/17/35/20/204173520.db2.gz KHGDHUBHLJIDRU-NSHDSACASA-N 0 0 334.376 1.636 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)Cc3cccc(O)c3)CC2)cn1 ZINC000105874937 204174861 /nfs/dbraw/zinc/17/48/61/204174861.db2.gz JYMSCFIBUOSVMF-UHFFFAOYSA-N 0 0 328.416 1.403 10 0 EDAERN CCN(C(=O)CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000105889382 204175869 /nfs/dbraw/zinc/17/58/69/204175869.db2.gz ASQWDRQSZISIGF-QGZVFWFLSA-N 0 0 328.416 1.637 10 0 EDAERN C[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000109944235 204297680 /nfs/dbraw/zinc/29/76/80/204297680.db2.gz DOCJEOWKRKMMIY-XJKSGUPXSA-N 0 0 331.416 1.438 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1nc(C)c(C)s1)CC2 ZINC000119774449 204303132 /nfs/dbraw/zinc/30/31/32/204303132.db2.gz PDUGXNITVGVIOJ-GFCCVEGCSA-N 0 0 348.476 1.771 10 0 EDAERN COC(=O)c1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111084404 204335451 /nfs/dbraw/zinc/33/54/51/204335451.db2.gz ZQWAEWRAAAHMFB-OAHLLOKOSA-N 0 0 329.356 1.211 10 0 EDAERN CCO[C@@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111077242 204335487 /nfs/dbraw/zinc/33/54/87/204335487.db2.gz CHAIDPPVDPFOHL-DLBZAZTESA-N 0 0 329.400 1.888 10 0 EDAERN Cn1ncc2c1ncn(CC(=O)c1ccccc1Br)c2=O ZINC000048371913 204350678 /nfs/dbraw/zinc/35/06/78/204350678.db2.gz NYKQWUQDVPWIFU-UHFFFAOYSA-N 0 0 347.172 1.775 10 0 EDAERN COc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1OC(F)F ZINC000112651375 204408016 /nfs/dbraw/zinc/40/80/16/204408016.db2.gz YFKFWDIAVMMPML-SECBINFHSA-N 0 0 338.314 1.633 10 0 EDAERN O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCc2ncnn2C1 ZINC000112658403 204410805 /nfs/dbraw/zinc/41/08/05/204410805.db2.gz SBYXPSRZJPCGQS-JTQLQIEISA-N 0 0 344.400 1.453 10 0 EDAERN COc1ccccc1OCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112060447 204380828 /nfs/dbraw/zinc/38/08/28/204380828.db2.gz NIIAHYOENMSOQM-OAHLLOKOSA-N 0 0 345.399 1.507 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3noc4ccccc43)CCO2)c1 ZINC000112065649 204380962 /nfs/dbraw/zinc/38/09/62/204380962.db2.gz XCFNFYXMONZNRL-AWEZNQCLSA-N 0 0 340.383 1.803 10 0 EDAERN CC(=O)NCCCCCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112061767 204381759 /nfs/dbraw/zinc/38/17/59/204381759.db2.gz PRPBHRZYTKSLLR-INIZCTEOSA-N 0 0 336.436 1.115 10 0 EDAERN CCOc1ncccc1NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112103959 204382991 /nfs/dbraw/zinc/38/29/91/204382991.db2.gz CRIUFZKHZBNHQV-CQSZACIVSA-N 0 0 345.403 1.918 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc2cnccc21 ZINC000113298203 204438747 /nfs/dbraw/zinc/43/87/47/204438747.db2.gz WIEVACZDBBAYSC-GFCCVEGCSA-N 0 0 329.385 1.120 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000195178915 139008996 /nfs/dbraw/zinc/00/89/96/139008996.db2.gz OTTUBBZJFHDBGF-KRWDZBQOSA-N 0 0 338.423 1.648 10 0 EDAERN CCc1[nH]n(C)c2nnc(NC(=O)[C@@H](C)NC(=O)c3ccco3)c1-2 ZINC000115495841 204508779 /nfs/dbraw/zinc/50/87/79/204508779.db2.gz GWALNDNFAJNBCA-MRVPVSSYSA-N 0 0 330.348 1.209 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 ZINC000117798802 204576746 /nfs/dbraw/zinc/57/67/46/204576746.db2.gz WZEVBQJQXCVLRU-DOTOQJQBSA-N 0 0 344.415 1.590 10 0 EDAERN COC(=O)[C@H](c1ccccc1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000117880599 204580244 /nfs/dbraw/zinc/58/02/44/204580244.db2.gz PKZICYVITXLEFN-SJORKVTESA-N 0 0 329.400 1.807 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(N(C)C)ccn2)C1 ZINC000117973025 204581054 /nfs/dbraw/zinc/58/10/54/204581054.db2.gz LLDGDWWUHHJAMB-ZDUSSCGKSA-N 0 0 328.420 1.779 10 0 EDAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1F ZINC000215880308 139020458 /nfs/dbraw/zinc/02/04/58/139020458.db2.gz RIBSGQBCNJAFEE-RBSFLKMASA-N 0 0 333.359 1.654 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cccnc1Br ZINC000119685557 204674877 /nfs/dbraw/zinc/67/48/77/204674877.db2.gz QVQXJVXFBNUIOT-VIFPVBQESA-N 0 0 327.182 1.586 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1nccc(N)n1 ZINC000120588300 204744776 /nfs/dbraw/zinc/74/47/76/204744776.db2.gz VHIGHYRFWGAMQR-WBMJQRKESA-N 0 0 341.415 1.520 10 0 EDAERN CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2CO)c2cccc(Cl)c21 ZINC000120932534 204770053 /nfs/dbraw/zinc/77/00/53/204770053.db2.gz IBRVGPIGSYKMFQ-NSHDSACASA-N 0 0 336.819 1.948 10 0 EDAERN COC[C@H](C)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000121907407 204833824 /nfs/dbraw/zinc/83/38/24/204833824.db2.gz SZRZAAXQIMPQQW-VIFPVBQESA-N 0 0 334.463 1.042 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CO)c1ccccc1 ZINC000122559206 204874845 /nfs/dbraw/zinc/87/48/45/204874845.db2.gz JUUQEDZZHPTHLZ-UONOGXRCSA-N 0 0 345.403 1.292 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1CC ZINC000125829896 205029075 /nfs/dbraw/zinc/02/90/75/205029075.db2.gz CLMJVVPICHVGHX-CQSZACIVSA-N 0 0 339.461 1.646 10 0 EDAERN Cn1ncc(C(=O)N2CCC(Cn3cccn3)CC2)c1-n1cccc1 ZINC000126177824 205043846 /nfs/dbraw/zinc/04/38/46/205043846.db2.gz QHNCNCKZBAOYME-UHFFFAOYSA-N 0 0 338.415 1.960 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCC(c2nncn2C2CC2)CC1)C(C)C ZINC000110809548 220067445 /nfs/dbraw/zinc/06/74/45/220067445.db2.gz OOXBCOBOQBBFMS-CQSZACIVSA-N 0 0 349.435 1.700 10 0 EDAERN COCCN1CCN(C(=O)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000126486726 205058821 /nfs/dbraw/zinc/05/88/21/205058821.db2.gz OSEGPXSFWAXBBQ-NSHDSACASA-N 0 0 330.350 1.826 10 0 EDAERN CCOCCO[C@@H](C)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000110901467 220077770 /nfs/dbraw/zinc/07/77/70/220077770.db2.gz LEWNMTSGMMBRGO-JKSUJKDBSA-N 0 0 339.436 1.169 10 0 EDAERN O=C(N[C@@H]1COc2ccccc21)N1CCCN(C(=O)C2CC2)CC1 ZINC000128356405 205144761 /nfs/dbraw/zinc/14/47/61/205144761.db2.gz HQXLETIHAFKOSH-OAHLLOKOSA-N 0 0 329.400 1.774 10 0 EDAERN Cc1onc(-c2ccccn2)c1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000129389516 205193124 /nfs/dbraw/zinc/19/31/24/205193124.db2.gz DIMNGWWGDPTPAS-GFCCVEGCSA-N 0 0 330.388 1.496 10 0 EDAERN [NH3+][C@H](Cc1cn(-c2cc(Br)ccc2Cl)nn1)C(=O)[O-] ZINC000157605049 205229636 /nfs/dbraw/zinc/22/96/36/205229636.db2.gz WMJISMNINOYSPM-SECBINFHSA-N 0 0 345.584 1.638 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)COc2c(C)nn(C)c2C)C1 ZINC000131685448 205299379 /nfs/dbraw/zinc/29/93/79/205299379.db2.gz NMVZHLJWRDKJRN-CQSZACIVSA-N 0 0 346.435 1.433 10 0 EDAERN CC[C@@H](C)Oc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000132976422 205350584 /nfs/dbraw/zinc/35/05/84/205350584.db2.gz VOCBKPZNVPDWCK-GDBMZVCRSA-N 0 0 336.432 1.287 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1cncc(C)c1 ZINC000133524783 205369374 /nfs/dbraw/zinc/36/93/74/205369374.db2.gz RKAOWEOQSDNSON-VBROQKIQSA-N 0 0 327.388 1.792 10 0 EDAERN Nc1cccc2c1CCCN2C(=O)CCn1nnc2ccccc2c1=O ZINC000238045812 139067516 /nfs/dbraw/zinc/06/75/16/139067516.db2.gz JVIHMAKBIQBAOM-UHFFFAOYSA-N 0 0 349.394 1.743 10 0 EDAERN COCc1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111815887 220196695 /nfs/dbraw/zinc/19/66/95/220196695.db2.gz QMQANHWVKDVMOU-QGZVFWFLSA-N 0 0 344.415 1.640 10 0 EDAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000111921091 220224678 /nfs/dbraw/zinc/22/46/78/220224678.db2.gz YZEHWVFLDGIIRP-CYBMUJFWSA-N 0 0 342.399 1.430 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1nnnc1C(C)C ZINC000245411816 139072987 /nfs/dbraw/zinc/07/29/87/139072987.db2.gz YPQCTXCHQMDSRF-XQQFMLRXSA-N 0 0 335.408 1.129 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000245421486 139073756 /nfs/dbraw/zinc/07/37/56/139073756.db2.gz CSMUHZLJOWXWSR-QLFBSQMISA-N 0 0 334.420 1.496 10 0 EDAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)CCC(C)C)CC2)n1 ZINC000112093338 220241834 /nfs/dbraw/zinc/24/18/34/220241834.db2.gz HVMCYUFWUWUDQV-ZDUSSCGKSA-N 0 0 344.481 1.687 10 0 EDAERN CC(C)n1cnc(S(=O)(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000153780064 205879550 /nfs/dbraw/zinc/87/95/50/205879550.db2.gz RIGSBIKXPHFKCV-NSHDSACASA-N 0 0 331.438 1.815 10 0 EDAERN O=S(=O)(NOCC(F)(F)F)c1cncc(Br)c1 ZINC000155957210 206045215 /nfs/dbraw/zinc/04/52/15/206045215.db2.gz LSHMBPSQFWDJOJ-UHFFFAOYSA-N 0 0 335.101 1.616 10 0 EDAERN COc1cc(C)cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000156071969 206053225 /nfs/dbraw/zinc/05/32/25/206053225.db2.gz PHKRDGWREAXOFT-CYBMUJFWSA-N 0 0 342.399 1.898 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)C[C@@H](C(N)=O)O1 ZINC000157429854 206135267 /nfs/dbraw/zinc/13/52/67/206135267.db2.gz BLVVKJCMANXAPP-KOLCDFICSA-N 0 0 335.385 1.047 10 0 EDAERN Nc1cc(C(=O)NC2CCS(=O)CC2)ccc1Br ZINC000157758221 206153955 /nfs/dbraw/zinc/15/39/55/206153955.db2.gz IUMIZVBWJULWFV-UHFFFAOYSA-N 0 0 331.235 1.672 10 0 EDAERN Cc1cc(-n2cc(C[C@@H]([NH3+])C(=O)[O-])nn2)ccc1Br ZINC000157591565 206146594 /nfs/dbraw/zinc/14/65/94/206146594.db2.gz JLGADCCZDSLZAG-LLVKDONJSA-N 0 0 325.166 1.293 10 0 EDAERN COc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1F ZINC000157667528 206149614 /nfs/dbraw/zinc/14/96/14/206149614.db2.gz NSHOFSKXTZLMMI-ZANVPECISA-N 0 0 342.342 1.579 10 0 EDAERN Nc1ccc(Br)cc1C(=O)NC1CCS(=O)CC1 ZINC000158509487 206194519 /nfs/dbraw/zinc/19/45/19/206194519.db2.gz NUSMWOCFDWUZKW-UHFFFAOYSA-N 0 0 331.235 1.672 10 0 EDAERN COCCN1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000245930175 139090417 /nfs/dbraw/zinc/09/04/17/139090417.db2.gz IDXWXDDSPNARST-KBPBESRZSA-N 0 0 327.469 1.695 10 0 EDAERN Cc1cc(CO)cc(S(=O)(=O)NCC2CC2)c1Br ZINC000158586994 206200496 /nfs/dbraw/zinc/20/04/96/206200496.db2.gz WBGKHZXIXNFJLS-UHFFFAOYSA-N 0 0 334.235 1.938 10 0 EDAERN CCN1CCO[C@@H](CNc2ncc(I)cn2)C1 ZINC000159050848 206222620 /nfs/dbraw/zinc/22/26/20/206222620.db2.gz JQRCEVPNZGXRNZ-JTQLQIEISA-N 0 0 348.188 1.214 10 0 EDAERN OC[C@@H]1CCCN1c1cc(NCCCOC[C@H]2CCCO2)ncn1 ZINC000246078925 139094028 /nfs/dbraw/zinc/09/40/28/139094028.db2.gz FQEQAKLNVDHTCU-LSDHHAIUSA-N 0 0 336.436 1.435 10 0 EDAERN C[C@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@H]1N1CCOCC1 ZINC000246620493 139115549 /nfs/dbraw/zinc/11/55/49/139115549.db2.gz YVCBCCHFJMVUOT-GOEBONIOSA-N 0 0 328.416 1.889 10 0 EDAERN Cc1ccc(C(=O)CCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246731172 139119294 /nfs/dbraw/zinc/11/92/94/139119294.db2.gz MFJPHTXTCSRJJE-CVEARBPZSA-N 0 0 332.444 1.871 10 0 EDAERN Cn1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCCCC3)C2=O)cn1 ZINC000246725665 139118932 /nfs/dbraw/zinc/11/89/32/139118932.db2.gz DKOVRIVIBHDLCH-XHSDSOJGSA-N 0 0 330.432 1.858 10 0 EDAERN C[C@@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Br)cc1 ZINC000160044999 206276008 /nfs/dbraw/zinc/27/60/08/206276008.db2.gz LRUXMLNGUXCHPZ-GGZOMVNGSA-N 0 0 334.235 1.258 10 0 EDAERN COC[C@@H](C)Oc1cc(F)c(S(N)(=O)=O)cc1Br ZINC000160413428 206296093 /nfs/dbraw/zinc/29/60/93/206296093.db2.gz NEERPYPPJDNKPS-ZCFIWIBFSA-N 0 0 342.186 1.649 10 0 EDAERN C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247243991 139142164 /nfs/dbraw/zinc/14/21/64/139142164.db2.gz YGEKNYMIYPYSOJ-SJLPKXTDSA-N 0 0 331.460 1.440 10 0 EDAERN Nc1cccnc1S(=O)(=O)Cc1ccc(Br)cn1 ZINC000168389932 206543891 /nfs/dbraw/zinc/54/38/91/206543891.db2.gz LASDADJTFMGORN-UHFFFAOYSA-N 0 0 328.191 1.795 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(C(N)=S)cc2F)C1 ZINC000168428989 206545190 /nfs/dbraw/zinc/54/51/90/206545190.db2.gz ZTXWOVRNNUCXPQ-SECBINFHSA-N 0 0 331.438 1.849 10 0 EDAERN Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(C(C)C)C2=O ZINC000169852263 206566121 /nfs/dbraw/zinc/56/61/21/206566121.db2.gz VRDJPXCXBRIPFL-UHFFFAOYSA-N 0 0 329.400 1.930 10 0 EDAERN O=C(Nc1ccccc1N1CCOCC1)c1cn2ncsc2n1 ZINC000169959644 206566500 /nfs/dbraw/zinc/56/65/00/206566500.db2.gz UWUMSEXKQXMFEO-UHFFFAOYSA-N 0 0 329.385 1.880 10 0 EDAERN COc1ccc2c(c1)C(=O)C[C@]1(CCN(C(=O)c3cnccn3)C1)O2 ZINC000170508464 206578329 /nfs/dbraw/zinc/57/83/29/206578329.db2.gz PHKZHGKAYIJSBF-SFHVURJKSA-N 0 0 339.351 1.735 10 0 EDAERN Cn1cc([C@H]2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C2)cn1 ZINC000247536212 139151700 /nfs/dbraw/zinc/15/17/00/139151700.db2.gz PWZUZDANTPHRMN-LRDDRELGSA-N 0 0 342.374 1.681 10 0 EDAERN C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000247666404 139153690 /nfs/dbraw/zinc/15/36/90/139153690.db2.gz YBMPDUGCCNMVQD-GPMSIDNRSA-N 0 0 341.459 1.981 10 0 EDAERN O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@H]1CNC(=O)C1 ZINC000170725485 206608573 /nfs/dbraw/zinc/60/85/73/206608573.db2.gz MUEKVQQPTZYXSG-MRVPVSSYSA-N 0 0 340.261 1.830 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000170880982 206632774 /nfs/dbraw/zinc/63/27/74/206632774.db2.gz OEQLTIXJWDPDMV-OAHLLOKOSA-N 0 0 349.435 1.888 10 0 EDAERN C[C@H]1CN([C@H](CNS(=O)(=O)C2CC2)c2cccs2)CCO1 ZINC000248341397 139160380 /nfs/dbraw/zinc/16/03/80/139160380.db2.gz JAROZMYJAJGBNY-WCQYABFASA-N 0 0 330.475 1.592 10 0 EDAERN C[C@@H](C(=O)N[C@H]1CCc2ncnn2C1)[C@H](C)NC(=O)OC(C)(C)C ZINC000248680517 139171406 /nfs/dbraw/zinc/17/14/06/139171406.db2.gz WAHALKZHEIEGIW-WOPDTQHZSA-N 0 0 337.424 1.258 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249472050 139193804 /nfs/dbraw/zinc/19/38/04/139193804.db2.gz SFLJAUFGMLNVCM-GJZGRUSLSA-N 0 0 344.502 1.733 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000249517950 139194842 /nfs/dbraw/zinc/19/48/42/139194842.db2.gz KLRGWMUQKRGEQV-LOWVWBTDSA-N 0 0 329.343 1.636 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N(C)CC(F)(F)F ZINC000249707382 139197125 /nfs/dbraw/zinc/19/71/25/139197125.db2.gz BLPWOQSBYFWQSB-WOPDTQHZSA-N 0 0 336.354 1.813 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(C(N)=O)cs1 ZINC000249760262 139198235 /nfs/dbraw/zinc/19/82/35/139198235.db2.gz XECZPSMASZRHDD-WCQGTBRESA-N 0 0 336.413 1.793 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)N2CC(CO)C2)c2cccs2)CCO1 ZINC000253280024 139205722 /nfs/dbraw/zinc/20/57/22/139205722.db2.gz UDYFBXSEJQNJOZ-GXTWGEPZSA-N 0 0 339.461 1.144 10 0 EDAERN CC(C)NC(=O)CCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171796257 206750290 /nfs/dbraw/zinc/75/02/90/206750290.db2.gz DTONYTCTBPIFOB-MAUKXSAKSA-N 0 0 345.443 1.627 10 0 EDAERN CC(C)NC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171987259 206776429 /nfs/dbraw/zinc/77/64/29/206776429.db2.gz AKMPAHFCNUASLE-PBHICJAKSA-N 0 0 331.416 1.237 10 0 EDAERN O=C(NC[C@@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172113038 206789978 /nfs/dbraw/zinc/78/99/78/206789978.db2.gz OMPCQNGMTITUJA-DLBZAZTESA-N 0 0 333.432 1.226 10 0 EDAERN Nc1cccc2c1CCCN2C(=O)CNC(=O)COc1ccccc1 ZINC000261687649 139217482 /nfs/dbraw/zinc/21/74/82/139217482.db2.gz ARWRPKWZZVQCHF-UHFFFAOYSA-N 0 0 339.395 1.743 10 0 EDAERN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CNC(=O)C1 ZINC000112248426 220272886 /nfs/dbraw/zinc/27/28/86/220272886.db2.gz FPZUCRTYOFZEHC-LLVKDONJSA-N 0 0 337.807 1.653 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)[C@@H](O)c3ccccc3)CC2)cn1 ZINC000174654514 207042786 /nfs/dbraw/zinc/04/27/86/207042786.db2.gz KAKPRYXVMWYRKO-KRWDZBQOSA-N 0 0 328.416 1.188 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(C)cc3)C2=O)n(C)n1 ZINC000175008394 207083359 /nfs/dbraw/zinc/08/33/59/207083359.db2.gz PJXYJQQYPSNORP-MRXNPFEDSA-N 0 0 340.427 1.891 10 0 EDAERN O=C([C@H]1CSC(=O)N1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000175067780 207089762 /nfs/dbraw/zinc/08/97/62/207089762.db2.gz LXNGSWONNDNGKF-LLVKDONJSA-N 0 0 332.385 1.301 10 0 EDAERN O=C(Nc1ccc(-n2nccn2)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000175111614 207094393 /nfs/dbraw/zinc/09/43/93/207094393.db2.gz LAHZCUUFIYUSFU-OAHLLOKOSA-N 0 0 338.375 1.728 10 0 EDAERN CCN(C)S(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175225199 207106177 /nfs/dbraw/zinc/10/61/77/207106177.db2.gz LHACMPDVYDDNAI-CHWSQXEVSA-N 0 0 347.506 1.296 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)Nc2ccn(C)n2)N2CCOCC2)s1 ZINC000175302918 207114621 /nfs/dbraw/zinc/11/46/21/207114621.db2.gz LQPOCIVEKMFOFB-CYBMUJFWSA-N 0 0 349.460 1.985 10 0 EDAERN COc1ccccc1CCNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000175626335 207142917 /nfs/dbraw/zinc/14/29/17/207142917.db2.gz RZTQTAOGLMOCGC-AWEZNQCLSA-N 0 0 329.404 1.972 10 0 EDAERN Cc1nc(C)c(CCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c(=O)[nH]1 ZINC000175734719 207155915 /nfs/dbraw/zinc/15/59/15/207155915.db2.gz ATHTUDRBEDRAPM-LLVKDONJSA-N 0 0 337.420 1.508 10 0 EDAERN CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175897736 207171314 /nfs/dbraw/zinc/17/13/14/207171314.db2.gz NYFJWPSVQPRMBJ-CYBMUJFWSA-N 0 0 349.416 1.728 10 0 EDAERN CC(C)(C)c1ccc(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187980436 272953937 /nfs/dbraw/zinc/95/39/37/272953937.db2.gz VCBGBJSEMODTQU-KRWDZBQOSA-N 0 0 346.471 1.934 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c(Cl)c1 ZINC000176098135 207190169 /nfs/dbraw/zinc/19/01/69/207190169.db2.gz YETJQAIYSYLUGJ-GFCCVEGCSA-N 0 0 333.779 1.830 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1Cl ZINC000176101368 207190804 /nfs/dbraw/zinc/19/08/04/207190804.db2.gz MKTFAAHLMRKXRV-GFCCVEGCSA-N 0 0 333.779 1.830 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)NC(C)C)cc1F ZINC000176405301 207224265 /nfs/dbraw/zinc/22/42/65/207224265.db2.gz UIJAJMGWWVZSSE-LBPRGKRZSA-N 0 0 345.440 1.822 10 0 EDAERN Nc1ccc(NC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)cn1 ZINC000262537067 139285039 /nfs/dbraw/zinc/28/50/39/139285039.db2.gz BTCRRMRBUSSQPL-DEOSSOPVSA-N 0 0 347.396 1.571 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(Cc2cccnc2)CC1 ZINC000177345283 207323648 /nfs/dbraw/zinc/32/36/48/207323648.db2.gz UMNAPMJZLGYALH-HNNXBMFYSA-N 0 0 341.419 1.035 10 0 EDAERN COc1c(C)ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1C ZINC000177397149 207331642 /nfs/dbraw/zinc/33/16/42/207331642.db2.gz IWGHHAARHWBQJT-HNNXBMFYSA-N 0 0 345.443 1.947 10 0 EDAERN CCOc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177390172 207328982 /nfs/dbraw/zinc/32/89/82/207328982.db2.gz GZCKMCDTDBNFSX-OAHLLOKOSA-N 0 0 331.416 1.721 10 0 EDAERN O=C(CSC[C@@H](O)CO)N[C@@H](c1nccs1)c1ccccc1 ZINC000177437057 207336785 /nfs/dbraw/zinc/33/67/85/207336785.db2.gz OHTZNBGLIUZHQH-GXTWGEPZSA-N 0 0 338.454 1.435 10 0 EDAERN O=C(Nc1cccc(-c2nnco2)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177546348 207351380 /nfs/dbraw/zinc/35/13/80/207351380.db2.gz COIHRLRXVYDQQT-JSGCOSHPSA-N 0 0 344.371 1.342 10 0 EDAERN CCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177624821 207364918 /nfs/dbraw/zinc/36/49/18/207364918.db2.gz UBJBVQYBYMBWEU-CYBMUJFWSA-N 0 0 343.387 1.137 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccn2ccnc2c1 ZINC000177644668 207367425 /nfs/dbraw/zinc/36/74/25/207367425.db2.gz ZDHAYZDHVINBMW-CYBMUJFWSA-N 0 0 325.376 1.569 10 0 EDAERN O=C(NCCCn1ccnc1)N1CCC(Nc2cccnn2)CC1 ZINC000152725035 224003786 /nfs/dbraw/zinc/00/37/86/224003786.db2.gz UWGSDKAWSLWIFT-UHFFFAOYSA-N 0 0 329.408 1.349 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cccc(N(C)C)n3)CCO2)c1 ZINC000153009200 224044679 /nfs/dbraw/zinc/04/46/79/224044679.db2.gz URXABCGHFCYXSR-CQSZACIVSA-N 0 0 344.419 1.585 10 0 EDAERN CN(c1ccccc1)c1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cn1 ZINC000180269134 207754854 /nfs/dbraw/zinc/75/48/54/207754854.db2.gz VCYGUDLFMYJQAA-HNNXBMFYSA-N 0 0 340.383 1.176 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)[C@@H](C)C2 ZINC000181242117 207906790 /nfs/dbraw/zinc/90/67/90/207906790.db2.gz JFCMUXMQTMIGJH-ZUZCIYMTSA-N 0 0 334.397 1.899 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccoc2)ncn1 ZINC000175449841 533048690 /nfs/dbraw/zinc/04/86/90/533048690.db2.gz LBVSSEFINXRRMG-CQSZACIVSA-N 0 0 329.404 1.829 10 0 EDAERN CCC[C@@H](C)CS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000113291779 220515135 /nfs/dbraw/zinc/51/51/35/220515135.db2.gz YGXVHOCVHJSUHD-OLZOCXBDSA-N 0 0 344.481 1.823 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1CC ZINC000116899146 221008443 /nfs/dbraw/zinc/00/84/43/221008443.db2.gz CNBMOSDGCFMETE-CVEARBPZSA-N 0 0 348.509 1.318 10 0 EDAERN Cc1ccc([C@H]2COCCN2C(=O)NC[C@@H](C)N2CCOCC2)o1 ZINC000116940509 221013312 /nfs/dbraw/zinc/01/33/12/221013312.db2.gz MYEWBHNOZUIDDY-UKRRQHHQSA-N 0 0 337.420 1.392 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000117370224 221059080 /nfs/dbraw/zinc/05/90/80/221059080.db2.gz RFKHOCUHOSCFSO-CQSZACIVSA-N 0 0 338.473 1.517 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C)C[C@H]1C ZINC000117369545 221059169 /nfs/dbraw/zinc/05/91/69/221059169.db2.gz ISCUNESDORTDOX-CYBMUJFWSA-N 0 0 346.880 1.990 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@@H]1C ZINC000117296614 221046790 /nfs/dbraw/zinc/04/67/90/221046790.db2.gz JQVVZFMRXSOQSE-AWEZNQCLSA-N 0 0 329.404 1.060 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(CC)c2)C[C@@H]1C ZINC000117522001 221073495 /nfs/dbraw/zinc/07/34/95/221073495.db2.gz JWOYERQWNTZSDV-HNNXBMFYSA-N 0 0 347.459 1.757 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000119190038 221262848 /nfs/dbraw/zinc/26/28/48/221262848.db2.gz CFYAWZCYFLMHEU-ZDUSSCGKSA-N 0 0 347.337 1.520 10 0 EDAERN Cc1nc(CO[C@H]2CSC3(CN(CC(=O)N(C)C)C3)C2)cs1 ZINC000247958040 257672159 /nfs/dbraw/zinc/67/21/59/257672159.db2.gz DLAYGKNLGALRIJ-CYBMUJFWSA-N 0 0 341.502 1.616 10 0 EDAERN CC(=O)N1[C@@H]2CCN(C(=O)c3ccno3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000247923497 257673318 /nfs/dbraw/zinc/67/33/18/257673318.db2.gz HWVQUGGIZDBONN-SOUVJXGZSA-N 0 0 343.387 1.023 10 0 EDAERN CCN1CCO[C@@H](C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1 ZINC000176412207 285355221 /nfs/dbraw/zinc/35/52/21/285355221.db2.gz HIPXOYDNDQMHLR-HUUCEWRRSA-N 0 0 347.463 1.389 10 0 EDAERN Cc1cccc(N2CCN(C(=O)C(=O)Nc3nccs3)CC2)c1 ZINC000038724221 132396930 /nfs/dbraw/zinc/39/69/30/132396930.db2.gz CSSHSKVBJCPLIM-UHFFFAOYSA-N 0 0 330.413 1.739 10 0 EDAERN O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000330145907 304302360 /nfs/dbraw/zinc/30/23/60/304302360.db2.gz HPCFDDHRIUJQHW-IHRRRGAJSA-N 0 0 327.446 1.371 10 0 EDAERN Cc1csc(N2CCC(C(=O)N3CCc4n[nH]cc4C3)CC2)n1 ZINC000328697751 140671104 /nfs/dbraw/zinc/67/11/04/140671104.db2.gz LKQAQUJBMYFHFE-UHFFFAOYSA-N 0 0 331.445 1.976 10 0 EDAERN O=C(c1ncncc1Cl)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000329026842 140691359 /nfs/dbraw/zinc/69/13/59/140691359.db2.gz OHJHCIRYOSRLRM-GXFFZTMASA-N 0 0 334.807 1.746 10 0 EDAERN Cc1noc(CN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1 ZINC000329133386 140697214 /nfs/dbraw/zinc/69/72/14/140697214.db2.gz PNQCVOKUGCIIAH-UHFFFAOYSA-N 0 0 340.431 1.856 10 0 EDAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cnn3ccncc23)C1 ZINC000330096247 140802032 /nfs/dbraw/zinc/80/20/32/140802032.db2.gz XAZINMBPYUWOFS-ZYHUDNBSSA-N 0 0 328.332 1.023 10 0 EDAERN Cc1nc2c(nccc2C(=O)N2CCC[C@](O)(C(F)(F)F)C2)[nH]1 ZINC000333100525 141263782 /nfs/dbraw/zinc/26/37/82/141263782.db2.gz CQCGCEYMOUWGLP-CYBMUJFWSA-N 0 0 328.294 1.796 10 0 EDAERN O=C(NC[C@H]1CCOC2(CCC2)C1)[C@H]1COCCN1CC1CCC1 ZINC000333131107 141269011 /nfs/dbraw/zinc/26/90/11/141269011.db2.gz WYLZJIPDDGVIKC-DLBZAZTESA-N 0 0 336.476 1.953 10 0 EDAERN O=S(=O)(c1cnc2ccccc2c1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333167089 141274793 /nfs/dbraw/zinc/27/47/93/141274793.db2.gz JMPLCEXLQJWDFA-CYBMUJFWSA-N 0 0 343.412 1.921 10 0 EDAERN CCc1nn(C)cc1CNC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000333317754 141298167 /nfs/dbraw/zinc/29/81/67/141298167.db2.gz OWSSTVMWAZVQMB-UHFFFAOYSA-N 0 0 342.465 1.091 10 0 EDAERN C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)CCO1 ZINC000333374043 141307718 /nfs/dbraw/zinc/30/77/18/141307718.db2.gz DONDWYLUORTNFJ-VHDGCEQUSA-N 0 0 326.418 1.432 10 0 EDAERN CCc1cnc(CN(C(C)=O)[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)o1 ZINC000372054839 156227883 /nfs/dbraw/zinc/22/78/83/156227883.db2.gz GLHBJGUZPXWXRN-GFCCVEGCSA-N 0 0 331.376 1.223 10 0 EDAERN Cc1cc(NC(=O)c2cccc(C(=O)N3CCCC3)n2)cn(C)c1=O ZINC000330191625 161627446 /nfs/dbraw/zinc/62/74/46/161627446.db2.gz NFLKWZXHQOAVEG-UHFFFAOYSA-N 0 0 340.383 1.577 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000079299200 287299684 /nfs/dbraw/zinc/29/96/84/287299684.db2.gz OFCPVNUFQUJAIK-AWEZNQCLSA-N 0 0 330.363 1.752 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 ZINC000120759378 287364369 /nfs/dbraw/zinc/36/43/69/287364369.db2.gz MHYYNFHZKPEVJV-LBPRGKRZSA-N 0 0 348.378 1.843 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)N2CCOc3ccc(F)cc32)C[C@H](C)O1 ZINC000123945260 287392524 /nfs/dbraw/zinc/39/25/24/287392524.db2.gz RKXWVRGDRWQZJQ-PHIMTYICSA-N 0 0 330.381 1.379 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)ccc1F ZINC000165504249 226127301 /nfs/dbraw/zinc/12/73/01/226127301.db2.gz JYXVAAMGEIMDFR-LLVKDONJSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cc(C(N)=S)ccc2Cl)CC[C@@H]1O ZINC000166291329 226153384 /nfs/dbraw/zinc/15/33/84/226153384.db2.gz POQGCKZIKSWKGW-KCJUWKMLSA-N 0 0 348.877 1.366 10 0 EDAERN O=S1(=O)CCCC[C@@H]1c1nnc(I)s1 ZINC000167932297 226203911 /nfs/dbraw/zinc/20/39/11/226203911.db2.gz ZCFISBQFOMGUEY-RXMQYKEDSA-N 0 0 344.199 1.783 10 0 EDAERN C[C@H]([C@H](O)c1cc2[nH]c(=O)[nH]c2cc1Br)S(C)(=O)=O ZINC000168933031 226228046 /nfs/dbraw/zinc/22/80/46/226228046.db2.gz UJJNJKPBGVKSEV-FWOIEVBISA-N 0 0 349.206 1.085 10 0 EDAERN OC[C@H]1COCCN1CC[C@@H](O)c1ccc(Br)cc1 ZINC000169009919 226230555 /nfs/dbraw/zinc/23/05/55/226230555.db2.gz NNOSJSNIPYQFSI-UONOGXRCSA-N 0 0 330.222 1.566 10 0 EDAERN COCCOc1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000122179703 222029940 /nfs/dbraw/zinc/02/99/40/222029940.db2.gz IRARXXBVNVZPQF-SFHVURJKSA-N 0 0 331.416 1.809 10 0 EDAERN CCOCCC1(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)CCC1 ZINC000122682509 222137541 /nfs/dbraw/zinc/13/75/41/222137541.db2.gz DNNFZMWBQDTOFE-CYBMUJFWSA-N 0 0 336.436 1.864 10 0 EDAERN CC(=O)Nc1nc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cs1 ZINC000123269224 222246870 /nfs/dbraw/zinc/24/68/70/222246870.db2.gz OSIKGPRKSOJYEP-LBPRGKRZSA-N 0 0 332.385 1.790 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1C ZINC000130567726 287495246 /nfs/dbraw/zinc/49/52/46/287495246.db2.gz LDBYUVNHFAMZDW-UHFFFAOYSA-N 0 0 328.372 1.457 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1 ZINC000191483911 272979811 /nfs/dbraw/zinc/97/98/11/272979811.db2.gz OOCFUBUWRQALLR-UHFFFAOYSA-N 0 0 349.394 1.440 10 0 EDAERN CCN(C(=O)N[C@H](CC(C)C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000194194025 273000966 /nfs/dbraw/zinc/00/09/66/273000966.db2.gz LVDQUWVJLDJXHR-KGLIPLIRSA-N 0 0 333.498 1.181 10 0 EDAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cn1 ZINC000188871870 267765109 /nfs/dbraw/zinc/76/51/09/267765109.db2.gz JOKOIGKPODDLCU-KYOSRNDESA-N 0 0 334.420 1.460 10 0 EDAERN COc1cc(CNC(=O)[C@@H]2CNC(=O)C2)ccc1OCC(F)(F)F ZINC000194808449 267865775 /nfs/dbraw/zinc/86/57/75/267865775.db2.gz OAINQFGFJPPLTD-JTQLQIEISA-N 0 0 346.305 1.389 10 0 EDAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1CNC(=O)C1 ZINC000194809180 267865926 /nfs/dbraw/zinc/86/59/26/267865926.db2.gz FFIPTHBASPCZCL-GFCCVEGCSA-N 0 0 329.331 1.765 10 0 EDAERN O=C(CCNC(=O)c1ccsc1)N1CCC[C@H](n2cncn2)C1 ZINC000105853589 272920451 /nfs/dbraw/zinc/92/04/51/272920451.db2.gz ALZUYGJHXZLFDE-ZDUSSCGKSA-N 0 0 333.417 1.323 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 ZINC000106397501 272920854 /nfs/dbraw/zinc/92/08/54/272920854.db2.gz GAPWEYYZIVEHCZ-MRXNPFEDSA-N 0 0 333.432 1.482 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000173169018 272933339 /nfs/dbraw/zinc/93/33/39/272933339.db2.gz WVBJWOFNTQMFGX-UHFFFAOYSA-N 0 0 349.391 1.495 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000187619290 272951005 /nfs/dbraw/zinc/95/10/05/272951005.db2.gz WTSUBHAPWFPRHC-MAUKXSAKSA-N 0 0 332.400 1.808 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)/C=C\c3cccnc3)CC2)n1 ZINC000255072833 287829265 /nfs/dbraw/zinc/82/92/65/287829265.db2.gz VZGNLMFETFCFIP-WAYWQWQTSA-N 0 0 339.399 1.632 10 0 EDAERN CC(C)(C)c1nn2c(nnc2C(Cl)(Cl)Cl)n(N)c1=O ZINC000027525933 275541213 /nfs/dbraw/zinc/54/12/13/275541213.db2.gz BMEPJZKNIVEULP-UHFFFAOYSA-N 0 0 325.587 1.124 10 0 EDAERN CC(C)n1nnnc1CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192153774 275798925 /nfs/dbraw/zinc/79/89/25/275798925.db2.gz JYXZENQPDQTAJA-CJNGLKHVSA-N 0 0 348.838 1.969 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1CC ZINC000247062179 276320720 /nfs/dbraw/zinc/32/07/20/276320720.db2.gz PGNPBTRBDIVGIZ-SJLPKXTDSA-N 0 0 332.444 1.949 10 0 EDAERN CC(=O)N1CC[C@@]2(C1)CCCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000063527781 277005703 /nfs/dbraw/zinc/00/57/03/277005703.db2.gz UGLAFCRYLURWHP-MRXNPFEDSA-N 0 0 340.420 1.849 10 0 EDAERN COc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083755002 277374273 /nfs/dbraw/zinc/37/42/73/277374273.db2.gz VLILHCBRCQSGJW-CYBMUJFWSA-N 0 0 343.387 1.493 10 0 EDAERN Cc1cn2c(ncc(C(=O)N[C@@H]3COc4ccccc43)c2=O)s1 ZINC000092886685 279004441 /nfs/dbraw/zinc/00/44/41/279004441.db2.gz WPLBVHOVDJTYFW-GFCCVEGCSA-N 0 0 327.365 1.928 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000175381434 279545769 /nfs/dbraw/zinc/54/57/69/279545769.db2.gz VRGDDNOQKPUBDH-NSHDSACASA-N 0 0 332.447 1.953 10 0 EDAERN CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171987117 279566332 /nfs/dbraw/zinc/56/63/32/279566332.db2.gz UXXIAVXTZOKSBL-CRAIPNDOSA-N 0 0 345.443 1.579 10 0 EDAERN CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000131342017 279575998 /nfs/dbraw/zinc/57/59/98/279575998.db2.gz NCRIMGFZOJUJGB-IRXDYDNUSA-N 0 0 335.492 1.872 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@]12CCCO2 ZINC000333596391 280049415 /nfs/dbraw/zinc/04/94/15/280049415.db2.gz LWFAPNWIAHXQSO-CYGHRXIMSA-N 0 0 338.448 1.924 10 0 EDAERN CN1N=C(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)CCC1=O ZINC000176452478 290313851 /nfs/dbraw/zinc/31/38/51/290313851.db2.gz CZZYKMFMFKQULQ-ZDUSSCGKSA-N 0 0 344.419 1.276 10 0 EDAERN C[C@@H]1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC(C)(C)C1 ZINC000248580459 297328557 /nfs/dbraw/zinc/32/85/57/297328557.db2.gz PZECEDLOYWYEHW-RDBSUJKOSA-N 0 0 330.494 1.941 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3cc(C)on3)C2=O)n(C)n1 ZINC000174276515 301335537 /nfs/dbraw/zinc/33/55/37/301335537.db2.gz YUOUPXHNDAKRKV-LLVKDONJSA-N 0 0 332.364 1.342 10 0 EDAERN CCOCCCNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000045118048 440951983 /nfs/dbraw/zinc/95/19/83/440951983.db2.gz JIOSBFJSISQORC-GFCCVEGCSA-N 0 0 328.434 1.877 10 0 EDAERN COc1ccc(CCCNC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000057389849 441112773 /nfs/dbraw/zinc/11/27/73/441112773.db2.gz JJNSXNYBGUDWDO-HNNXBMFYSA-N 0 0 335.448 1.648 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000102006477 441164334 /nfs/dbraw/zinc/16/43/34/441164334.db2.gz DQLXJIPPWGJABK-LBPRGKRZSA-N 0 0 340.383 1.612 10 0 EDAERN COc1cccc(C(=O)NCCN2CCN(c3ccccn3)CC2)c1 ZINC000013492648 441159014 /nfs/dbraw/zinc/15/90/14/441159014.db2.gz RMGWJLOIEDIFJI-UHFFFAOYSA-N 0 0 340.427 1.642 10 0 EDAERN CCOc1ccc(CN2CCN(Cc3nnc(C)n3C)CC2)cc1 ZINC000047541199 441202481 /nfs/dbraw/zinc/20/24/81/441202481.db2.gz NTBXJGFZSNUFQL-UHFFFAOYSA-N 0 0 329.448 1.840 10 0 EDAERN Cc1cc(NCCNc2nc3ccccc3cc2CO)n2ncnc2n1 ZINC000080983534 441217030 /nfs/dbraw/zinc/21/70/30/441217030.db2.gz WSQGZZXEMQMMDK-UHFFFAOYSA-N 0 0 349.398 1.997 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869667 441300667 /nfs/dbraw/zinc/30/06/67/441300667.db2.gz ZQSIDXSJQINPCR-JKSUJKDBSA-N 0 0 335.496 1.621 10 0 EDAERN CCOc1ccnc(N2CCN(C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000105917248 441315664 /nfs/dbraw/zinc/31/56/64/441315664.db2.gz SOBOZGIJEULTDQ-CQSZACIVSA-N 0 0 338.452 1.173 10 0 EDAERN COc1cccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)c1OC ZINC000083712331 441368728 /nfs/dbraw/zinc/36/87/28/441368728.db2.gz ZVOGZYDEOCRWMN-CYBMUJFWSA-N 0 0 345.403 1.938 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000083750363 441374989 /nfs/dbraw/zinc/37/49/89/441374989.db2.gz MTKWNAYAYKVBHL-ZIAGYGMSSA-N 0 0 333.367 1.593 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C)c(F)c1 ZINC000028502211 441433972 /nfs/dbraw/zinc/43/39/72/441433972.db2.gz ZORBHOSKLRMBHC-OAHLLOKOSA-N 0 0 342.436 1.955 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNC(=O)C(C)(C)C ZINC000087087137 441480192 /nfs/dbraw/zinc/48/01/92/441480192.db2.gz PEYVLGLSLWPEKR-NSHDSACASA-N 0 0 336.440 1.137 10 0 EDAERN CN(C)C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CCO1 ZINC000108951767 441482867 /nfs/dbraw/zinc/48/28/67/441482867.db2.gz HZUCERGVHYVENS-GFCCVEGCSA-N 0 0 334.388 1.450 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(-n2cccn2)n1 ZINC000088198150 441495603 /nfs/dbraw/zinc/49/56/03/441495603.db2.gz SWHOAGJKCAEYDG-GFCCVEGCSA-N 0 0 337.387 1.686 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ncn(C)c1Cl ZINC000088787055 441522457 /nfs/dbraw/zinc/52/24/57/441522457.db2.gz PUGQTBUOYGNGDM-QMMMGPOBSA-N 0 0 344.828 1.041 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)cc1F ZINC000088391191 441506515 /nfs/dbraw/zinc/50/65/15/441506515.db2.gz CKMSJHINYKPYLO-NSHDSACASA-N 0 0 348.382 1.697 10 0 EDAERN COc1ccc(SCCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112649424 441552622 /nfs/dbraw/zinc/55/26/22/441552622.db2.gz FARXJVKCHOEMMK-LBPRGKRZSA-N 0 0 332.429 1.900 10 0 EDAERN COc1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccc1OC(C)C ZINC000112661497 441553620 /nfs/dbraw/zinc/55/36/20/441553620.db2.gz GVSSOCQKBBZDQG-ZDUSSCGKSA-N 0 0 330.388 1.819 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCCC(=O)N1CCCCC1)C(C)C ZINC000054031118 441555233 /nfs/dbraw/zinc/55/52/33/441555233.db2.gz IZLBJUXSYNZPBX-QGZVFWFLSA-N 0 0 339.480 1.692 10 0 EDAERN O=C(CNC(=O)N[C@H]1CCc2ncnn2C1)Nc1ccc(Cl)cc1 ZINC000112745572 441557648 /nfs/dbraw/zinc/55/76/48/441557648.db2.gz YXLQXPRWGNSIHK-LBPRGKRZSA-N 0 0 348.794 1.184 10 0 EDAERN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000113228670 441590709 /nfs/dbraw/zinc/59/07/09/441590709.db2.gz WWAODDUOUVGCDX-NWDGAFQWSA-N 0 0 326.418 1.133 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(C[S@@](C)=O)c1)CC2 ZINC000114870206 441693833 /nfs/dbraw/zinc/69/38/33/441693833.db2.gz NFSCYUCORFSRKE-SHACYNPGSA-N 0 0 346.456 1.464 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000114875291 441694401 /nfs/dbraw/zinc/69/44/01/441694401.db2.gz WNADSXDOCPSXJR-NSHDSACASA-N 0 0 329.360 1.706 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](c1ccco1)N(C)C)CC2 ZINC000114911381 441697090 /nfs/dbraw/zinc/69/70/90/441697090.db2.gz SNLLWEBZZUHXIG-CHWSQXEVSA-N 0 0 346.435 1.350 10 0 EDAERN C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091445063 441701579 /nfs/dbraw/zinc/70/15/79/441701579.db2.gz UGGQGRISCFGXNT-CYBMUJFWSA-N 0 0 342.443 1.885 10 0 EDAERN COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H](C)NC(N)=O)CC3)c2c1 ZINC000056321900 441701975 /nfs/dbraw/zinc/70/19/75/441701975.db2.gz ALOXGHMZYJJZIO-LLVKDONJSA-N 0 0 344.415 1.939 10 0 EDAERN O=C(CCc1nc(-c2ncccn2)no1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000067985245 441704393 /nfs/dbraw/zinc/70/43/93/441704393.db2.gz FYZXDTBJBJGHBD-CHWSQXEVSA-N 0 0 343.387 1.629 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000173338717 441717278 /nfs/dbraw/zinc/71/72/78/441717278.db2.gz RKLCIITUNUURIF-OAHLLOKOSA-N 0 0 331.424 1.528 10 0 EDAERN CCCc1cc(C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)[nH]n1 ZINC000115389573 441735220 /nfs/dbraw/zinc/73/52/20/441735220.db2.gz ZQSKNRLHZSRZDM-UHFFFAOYSA-N 0 0 344.463 1.671 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000091782330 441740645 /nfs/dbraw/zinc/74/06/45/441740645.db2.gz RBMMVHHCTUPOQU-MRXNPFEDSA-N 0 0 344.411 1.241 10 0 EDAERN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785541 441742374 /nfs/dbraw/zinc/74/23/74/441742374.db2.gz WCIFEKYWVLBDFE-IUODEOHRSA-N 0 0 334.416 1.464 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000091785162 441742435 /nfs/dbraw/zinc/74/24/35/441742435.db2.gz PZWJQAKEVQXJEL-LBPRGKRZSA-N 0 0 328.821 1.535 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000091783286 441742503 /nfs/dbraw/zinc/74/25/03/441742503.db2.gz XMTCHNIHPIFQFX-GFCCVEGCSA-N 0 0 328.821 1.286 10 0 EDAERN O=C(C1=NN(CCO)C(=O)CC1)N1CCCC[C@@H]1c1nccs1 ZINC000137307314 441762914 /nfs/dbraw/zinc/76/29/14/441762914.db2.gz LXCNEKDENDNWIU-GFCCVEGCSA-N 0 0 336.417 1.167 10 0 EDAERN Cc1nn(C)c(C)c1CNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000173486597 441766023 /nfs/dbraw/zinc/76/60/23/441766023.db2.gz UTUXWACUIRDBHJ-UHFFFAOYSA-N 0 0 343.435 1.613 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000173340945 441719649 /nfs/dbraw/zinc/71/96/49/441719649.db2.gz WXEZTEZZTMWKIG-INIZCTEOSA-N 0 0 335.448 1.565 10 0 EDAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc[nH]n1 ZINC000115349307 441729379 /nfs/dbraw/zinc/72/93/79/441729379.db2.gz QATYNKINYFFKPZ-ZDUSSCGKSA-N 0 0 347.400 1.112 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc4n[nH]cc4c3)C2)cn1 ZINC000173383218 441729500 /nfs/dbraw/zinc/72/95/00/441729500.db2.gz WWFGMBVJQJXNQW-NSHDSACASA-N 0 0 338.371 1.251 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116370527 441815759 /nfs/dbraw/zinc/81/57/59/441815759.db2.gz HDNHOVNZSCSSOC-CYBMUJFWSA-N 0 0 348.428 1.557 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cnn(C(C)(C)C)c3C)CCO2)[nH]1 ZINC000173535511 441783159 /nfs/dbraw/zinc/78/31/59/441783159.db2.gz ASGISFKBEXTBAT-CYBMUJFWSA-N 0 0 332.408 1.587 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)n(C)n1 ZINC000173558518 441791413 /nfs/dbraw/zinc/79/14/13/441791413.db2.gz DLRUFMYIXGBVTF-MCIONIFRSA-N 0 0 349.435 1.043 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CCO2)[nH]1 ZINC000173608395 441804300 /nfs/dbraw/zinc/80/43/00/441804300.db2.gz CQJAHNPNRVLULL-HNNXBMFYSA-N 0 0 343.431 1.642 10 0 EDAERN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1nnc2n1CCCC2 ZINC000173627705 441808553 /nfs/dbraw/zinc/80/85/53/441808553.db2.gz VRHPLCMONRZCPX-STQMWFEESA-N 0 0 343.435 1.194 10 0 EDAERN CC[C@H](C)CS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173900064 441858973 /nfs/dbraw/zinc/85/89/73/441858973.db2.gz HARZPAMBSGSDKR-QWHCGFSZSA-N 0 0 341.481 1.453 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)CC3CCOCC3)CC2)n1 ZINC000117146574 441865524 /nfs/dbraw/zinc/86/55/24/441865524.db2.gz QOTFNBXKULXADG-ZDUSSCGKSA-N 0 0 336.436 1.654 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CCN1CCOC ZINC000117302306 441868542 /nfs/dbraw/zinc/86/85/42/441868542.db2.gz CREBUCLMDYVLLA-IQMFZBJNSA-N 0 0 338.473 1.607 10 0 EDAERN CCn1ccnc1CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000116613309 441833369 /nfs/dbraw/zinc/83/33/69/441833369.db2.gz RDZWFFMRVRUNRI-UHFFFAOYSA-N 0 0 330.373 1.900 10 0 EDAERN COc1cccc(CCNC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173748326 441833597 /nfs/dbraw/zinc/83/35/97/441833597.db2.gz PHNGKUAXHUWBBH-HNNXBMFYSA-N 0 0 329.404 1.876 10 0 EDAERN COC(=O)[C@H](NC(=O)[C@H](C)NC(=O)c1ccco1)c1ccccc1 ZINC000122117403 441836319 /nfs/dbraw/zinc/83/63/19/441836319.db2.gz ZSRCOOFEATYAAZ-SMDDNHRTSA-N 0 0 330.340 1.428 10 0 EDAERN CNS(=O)(=O)c1ccc(N[C@H](CO)c2ccc(Cl)cc2)nc1 ZINC000092960811 441844571 /nfs/dbraw/zinc/84/45/71/441844571.db2.gz AEMDQTOKRZVNGI-CYBMUJFWSA-N 0 0 341.820 1.789 10 0 EDAERN C[C@@H]1CN(C(=O)CCC(=O)c2cccs2)C[C@H]1N1CCOCC1 ZINC000173812668 441844576 /nfs/dbraw/zinc/84/45/76/441844576.db2.gz UFBXNOQUZCBKJQ-ZIAGYGMSSA-N 0 0 336.457 1.890 10 0 EDAERN C[C@H]1CN(C(=O)COc2ccccc2Cl)C[C@H]1N1CCOCC1 ZINC000173849269 441849457 /nfs/dbraw/zinc/84/94/57/441849457.db2.gz WUYQKKVNFDMFPO-DZGCQCFKSA-N 0 0 338.835 1.898 10 0 EDAERN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H](C)O ZINC000077757505 441849772 /nfs/dbraw/zinc/84/97/72/441849772.db2.gz XLVQWHGAONRWSG-AGIUHOORSA-N 0 0 342.461 1.857 10 0 EDAERN Cc1cnn(CCC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000122430941 441850381 /nfs/dbraw/zinc/85/03/81/441850381.db2.gz PMSSPURLOKEGDA-OAHLLOKOSA-N 0 0 328.420 1.499 10 0 EDAERN COc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc(OC)c1C ZINC000173854854 441851820 /nfs/dbraw/zinc/85/18/20/441851820.db2.gz TYTYIRYJGKIVDD-CZUORRHYSA-N 0 0 348.443 1.805 10 0 EDAERN Cc1ccc(S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000095090152 441909664 /nfs/dbraw/zinc/90/96/64/441909664.db2.gz ZCRKQTQXAXFGAD-LBPRGKRZSA-N 0 0 341.433 1.958 10 0 EDAERN Cc1nc(CN2C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C2)cs1 ZINC000095363660 441913014 /nfs/dbraw/zinc/91/30/14/441913014.db2.gz CWXQGRMEDORQRT-UONOGXRCSA-N 0 0 346.522 1.304 10 0 EDAERN O=C(NCCCOC1CCOCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119132790 441918757 /nfs/dbraw/zinc/91/87/57/441918757.db2.gz FBDMAYPMMPDXIT-CRAIPNDOSA-N 0 0 340.464 1.909 10 0 EDAERN CC(C)(C)C(=O)N1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000078357574 441923523 /nfs/dbraw/zinc/92/35/23/441923523.db2.gz MNACRCIJCJTIAH-KRWDZBQOSA-N 0 0 334.460 1.754 10 0 EDAERN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCCn1cc(C)cn1 ZINC000117808526 441879924 /nfs/dbraw/zinc/87/99/24/441879924.db2.gz PCXHNCLNBFNAJW-UUSOHVMFSA-N 0 0 336.461 1.566 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)NCCn2cc(C)cn2)c(C)c1 ZINC000117927488 441882260 /nfs/dbraw/zinc/88/22/60/441882260.db2.gz OYZNRYGJRRECRH-UHFFFAOYSA-N 0 0 337.401 1.265 10 0 EDAERN CCOC(OCC)[C@](O)(CO)[C@@H](O)c1ccc(N(CC)CC)cc1 ZINC000145298181 441887807 /nfs/dbraw/zinc/88/78/07/441887807.db2.gz SAANGFNTFXNSGL-WMZOPIPTSA-N 0 0 341.448 1.689 10 0 EDAERN Cn1cc([C@H](O)CNc2nc(-c3ccncc3)nc3c2CCC3)cn1 ZINC000078374836 441925910 /nfs/dbraw/zinc/92/59/10/441925910.db2.gz MQNAGWPBSQWHST-MRXNPFEDSA-N 0 0 336.399 1.906 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119416451 441933911 /nfs/dbraw/zinc/93/39/11/441933911.db2.gz HRHKRKKRVOQTDY-KBXCAEBGSA-N 0 0 330.432 1.844 10 0 EDAERN COc1cccc(-c2noc([C@H](C)NC(=O)[C@H]3CNC(=O)C3)n2)c1 ZINC000174645677 441947981 /nfs/dbraw/zinc/94/79/81/441947981.db2.gz SIWWEZVDYLNHJM-GXSJLCMTSA-N 0 0 330.344 1.059 10 0 EDAERN CCc1nc(C2(NC(=O)C(=O)c3cnn(CC)c3)CCCC2)no1 ZINC000119783746 441951767 /nfs/dbraw/zinc/95/17/67/441951767.db2.gz AZFRRBMHCOFKQZ-UHFFFAOYSA-N 0 0 331.376 1.617 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000124858368 441960378 /nfs/dbraw/zinc/96/03/78/441960378.db2.gz RZKUVGALJZVISK-SUMWQHHRSA-N 0 0 345.443 1.774 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccco3)C2=O)n(C)n1 ZINC000174988933 441991308 /nfs/dbraw/zinc/99/13/08/441991308.db2.gz ZYTLIUYDTTUTKZ-CQSZACIVSA-N 0 0 330.388 1.566 10 0 EDAERN COc1ccc(O[C@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000175122330 442007340 /nfs/dbraw/zinc/00/73/40/442007340.db2.gz GGGOEJKTULHKLW-OLZOCXBDSA-N 0 0 345.403 1.368 10 0 EDAERN CO[C@H](C)c1noc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)n1 ZINC000175192389 442014660 /nfs/dbraw/zinc/01/46/60/442014660.db2.gz FZIRFHMEUKKQMP-WDEREUQCSA-N 0 0 336.396 1.347 10 0 EDAERN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)on1 ZINC000120187013 442025570 /nfs/dbraw/zinc/02/55/70/442025570.db2.gz FIXFDHAEUNINJY-NSHDSACASA-N 0 0 337.401 1.676 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCSC(F)(F)F)CCO2)[nH]1 ZINC000175415016 442058680 /nfs/dbraw/zinc/05/86/80/442058680.db2.gz DUIAYMQNDAFZAB-MRVPVSSYSA-N 0 0 339.343 1.449 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 ZINC000120384896 442061484 /nfs/dbraw/zinc/06/14/84/442061484.db2.gz MXXPARVSSGJUPK-NSHDSACASA-N 0 0 336.367 1.163 10 0 EDAERN Cc1nccn1CCCCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000175457387 442067253 /nfs/dbraw/zinc/06/72/53/442067253.db2.gz MMNZMKVSRYZGCE-INIZCTEOSA-N 0 0 346.435 1.279 10 0 EDAERN Cc1nn(C)c(=O)c(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1C ZINC000151548769 442082403 /nfs/dbraw/zinc/08/24/03/442082403.db2.gz NMVYRVKQWAWJDS-AWEZNQCLSA-N 0 0 328.372 1.086 10 0 EDAERN C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000175762270 442117857 /nfs/dbraw/zinc/11/78/57/442117857.db2.gz PNGXSATUQCHMJI-GOEBONIOSA-N 0 0 332.448 1.367 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000175794229 442124043 /nfs/dbraw/zinc/12/40/43/442124043.db2.gz UMRHISNRRRJUSQ-HOTGVXAUSA-N 0 0 332.400 1.724 10 0 EDAERN CN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000126618399 442127513 /nfs/dbraw/zinc/12/75/13/442127513.db2.gz DHPOJKLGUJFKAG-ZOBUZTSGSA-N 0 0 334.391 1.983 10 0 EDAERN O=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CCCC[C@H]1CO ZINC000175909611 442143904 /nfs/dbraw/zinc/14/39/04/442143904.db2.gz LVEOOXHMDHFYEE-UONOGXRCSA-N 0 0 335.452 1.397 10 0 EDAERN COCc1ccc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000175665148 442101309 /nfs/dbraw/zinc/10/13/09/442101309.db2.gz NJESTNFKQPCOFN-CRAIPNDOSA-N 0 0 347.459 1.695 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3cscn3)C2=O)n(C)n1 ZINC000176142096 442181506 /nfs/dbraw/zinc/18/15/06/442181506.db2.gz ZOUQURZFURWKOI-GFCCVEGCSA-N 0 0 348.432 1.180 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(N(C)C)cc2F)n1 ZINC000121154528 442184785 /nfs/dbraw/zinc/18/47/85/442184785.db2.gz BXHRYYQOFSPIRQ-AWEZNQCLSA-N 0 0 334.351 1.797 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)C2(CCOC)CC2)ncn1 ZINC000163895004 442185436 /nfs/dbraw/zinc/18/54/36/442185436.db2.gz QWXJOSMDXWCMKV-ZDUSSCGKSA-N 0 0 333.436 1.420 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)CSCc2cccnc2)n1 ZINC000121168239 442186663 /nfs/dbraw/zinc/18/66/63/442186663.db2.gz LCJHYTKKCFKOMW-ZDUSSCGKSA-N 0 0 334.401 1.606 10 0 EDAERN Cc1ccccc1-n1nccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121174752 442187733 /nfs/dbraw/zinc/18/77/33/442187733.db2.gz DEXNEKLYBUWPCY-CYBMUJFWSA-N 0 0 328.372 1.103 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127280819 442189049 /nfs/dbraw/zinc/18/90/49/442189049.db2.gz WKOJTTOUOIEHHF-AWEZNQCLSA-N 0 0 348.451 1.149 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cncc(OC(C)C)c3)CCO2)[nH]1 ZINC000164069569 442189304 /nfs/dbraw/zinc/18/93/04/442189304.db2.gz RSFBNRJWMJPGJY-AWEZNQCLSA-N 0 0 345.403 1.763 10 0 EDAERN CC[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H]1CN(C)CCO1 ZINC000176213727 442192249 /nfs/dbraw/zinc/19/22/49/442192249.db2.gz YZYNPXNNCYPHHF-GXTWGEPZSA-N 0 0 326.824 1.944 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000176242328 442198896 /nfs/dbraw/zinc/19/88/96/442198896.db2.gz TVZWBSSFTLLFAO-LFVRLGFBSA-N 0 0 340.493 1.913 10 0 EDAERN CCc1noc(CC)c1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000121366920 442208835 /nfs/dbraw/zinc/20/88/35/442208835.db2.gz YHJTXSVROHBSST-BBRMVZONSA-N 0 0 335.448 1.521 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000166772430 442218128 /nfs/dbraw/zinc/21/81/28/442218128.db2.gz BBLFQBYVHVWPNT-NSHDSACASA-N 0 0 327.743 1.155 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000166837833 442218201 /nfs/dbraw/zinc/21/82/01/442218201.db2.gz JTRLMARJIFBACO-CQSZACIVSA-N 0 0 331.416 1.660 10 0 EDAERN O=C(CN1CCCCC1=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176443095 442222638 /nfs/dbraw/zinc/22/26/38/442222638.db2.gz ZAKGVSXDCZVDLS-CQSZACIVSA-N 0 0 345.447 1.681 10 0 EDAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCN(c2ccccc2F)CC1 ZINC000170241180 442229822 /nfs/dbraw/zinc/22/98/22/442229822.db2.gz PMOMWDLTXXWZQD-GFCCVEGCSA-N 0 0 329.379 1.398 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccnc2)cc1OC ZINC000170348870 442230905 /nfs/dbraw/zinc/23/09/05/442230905.db2.gz JAMIGTHNOYQBSO-LLVKDONJSA-N 0 0 329.356 1.915 10 0 EDAERN CC(C)C(=O)NCCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000152730168 442240718 /nfs/dbraw/zinc/24/07/18/442240718.db2.gz USIUQNFXLBZDIE-YOEHRIQHSA-N 0 0 325.453 1.485 10 0 EDAERN Cc1cnn(CCNC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000176626368 442241844 /nfs/dbraw/zinc/24/18/44/442241844.db2.gz PVMISDVBRZFANJ-QGZVFWFLSA-N 0 0 336.436 1.955 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C(C)C ZINC000152759782 442242246 /nfs/dbraw/zinc/24/22/46/442242246.db2.gz XHAYVBQPXHUZQC-QFBILLFUSA-N 0 0 349.475 1.178 10 0 EDAERN C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000176995682 442282337 /nfs/dbraw/zinc/28/23/37/442282337.db2.gz BLUIEFQNXGEJGI-BBRMVZONSA-N 0 0 342.436 1.308 10 0 EDAERN CCc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)cnn1CC(C)C ZINC000153744568 442299855 /nfs/dbraw/zinc/29/98/55/442299855.db2.gz QOKKYBAPKSVYFY-HNNXBMFYSA-N 0 0 334.464 1.648 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)C2=C(C)OCCC2)ncn1 ZINC000154077364 442319914 /nfs/dbraw/zinc/31/99/14/442319914.db2.gz LORLIXDGZUIVGH-CYBMUJFWSA-N 0 0 331.420 1.688 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCNC(=O)C(C)(C)C)C1 ZINC000171217499 442329572 /nfs/dbraw/zinc/32/95/72/442329572.db2.gz PXILRIJIIPJHPQ-CYBMUJFWSA-N 0 0 340.468 1.239 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000154541305 442344731 /nfs/dbraw/zinc/34/47/31/442344731.db2.gz PUFYAPXHZUDNAZ-SNVBAGLBSA-N 0 0 338.799 1.276 10 0 EDAERN C[C@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@H]1N1CCOCC1 ZINC000154577976 442346520 /nfs/dbraw/zinc/34/65/20/442346520.db2.gz DGWDBIPYAITYKZ-XJKSGUPXSA-N 0 0 341.415 1.264 10 0 EDAERN Cc1cncc(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000153864848 442307798 /nfs/dbraw/zinc/30/77/98/442307798.db2.gz JJUCMWAIFWFHBM-AWEZNQCLSA-N 0 0 328.420 1.919 10 0 EDAERN COC(=O)[C@H](c1ccccc1F)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177214293 442314410 /nfs/dbraw/zinc/31/44/10/442314410.db2.gz JTNVQBWCNISDLS-JQFCIGGWSA-N 0 0 336.407 1.692 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)CN2CCN(c3ccccn3)CC2)o1 ZINC000155054180 442373304 /nfs/dbraw/zinc/37/33/04/442373304.db2.gz ZKYCENPEDWXQDO-OAHLLOKOSA-N 0 0 328.416 1.982 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(C)=O)cc1 ZINC000155122378 442376789 /nfs/dbraw/zinc/37/67/89/442376789.db2.gz VEMVRYDZUZDYPQ-AWEZNQCLSA-N 0 0 328.372 1.892 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccc(C)c3)CCO2)n1 ZINC000171770046 442379498 /nfs/dbraw/zinc/37/94/98/442379498.db2.gz SVBLBFIARROFNE-INIZCTEOSA-N 0 0 349.456 1.898 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CCO2)c1 ZINC000131756019 442379937 /nfs/dbraw/zinc/37/99/37/442379937.db2.gz YZIHNGDUHFMYLH-IUODEOHRSA-N 0 0 331.420 1.563 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000171868483 442386256 /nfs/dbraw/zinc/38/62/56/442386256.db2.gz ALYIZXOAHSITDS-DGCLKSJQSA-N 0 0 345.403 1.671 10 0 EDAERN CCOc1ccnc(N2CCN(c3ccnc(C4CC4)n3)CC2)n1 ZINC000171986790 442396579 /nfs/dbraw/zinc/39/65/79/442396579.db2.gz BGJRQMVCZDADCT-UHFFFAOYSA-N 0 0 326.404 1.869 10 0 EDAERN CCCN(CCC)C(=O)CCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171602473 442361878 /nfs/dbraw/zinc/36/18/78/442361878.db2.gz IVROWOOKWUTJMM-HNNXBMFYSA-N 0 0 335.452 1.870 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)N3CCC[C@H](C)C3)CCCC2)no1 ZINC000177607773 442362237 /nfs/dbraw/zinc/36/22/37/442362237.db2.gz FOJRPYUHKDPYPV-LBPRGKRZSA-N 0 0 342.465 1.968 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)N(C)CCN2CCN(c3ccccc3)CC2)O1 ZINC000155828169 442430853 /nfs/dbraw/zinc/43/08/53/442430853.db2.gz GIWPUPXQECPWGO-WMZOPIPTSA-N 0 0 331.460 1.835 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cnn(CCOC)c2)C[C@@H]1C ZINC000172272610 442433986 /nfs/dbraw/zinc/43/39/86/442433986.db2.gz AABNORIGMSMSNM-AWEZNQCLSA-N 0 0 339.440 1.104 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000134079800 442449449 /nfs/dbraw/zinc/44/94/49/442449449.db2.gz PTRDUPLSOGKUJN-CYBMUJFWSA-N 0 0 341.415 1.151 10 0 EDAERN O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000172395927 442454288 /nfs/dbraw/zinc/45/42/88/442454288.db2.gz IWQCESWBODQUFO-ZDUSSCGKSA-N 0 0 337.383 1.672 10 0 EDAERN COc1cccc(C(C)(C)CNC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000191511092 442456241 /nfs/dbraw/zinc/45/62/41/442456241.db2.gz ZEAZKRANBODWQG-CYBMUJFWSA-N 0 0 333.432 1.893 10 0 EDAERN CCc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1S(C)(=O)=O ZINC000179753122 442498124 /nfs/dbraw/zinc/49/81/24/442498124.db2.gz NUSAODWICMCPLK-HNNXBMFYSA-N 0 0 336.457 1.573 10 0 EDAERN O=C(Cn1cnnn1)NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000156654687 442506319 /nfs/dbraw/zinc/50/63/19/442506319.db2.gz JMRBPQTYPDOGCM-KWQFWETISA-N 0 0 326.187 1.900 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)CCOCC(F)F)CC2)no1 ZINC000191561310 442464008 /nfs/dbraw/zinc/46/40/08/442464008.db2.gz LZHBXKNJCKVYMM-UHFFFAOYSA-N 0 0 332.351 1.084 10 0 EDAERN CCOC(=O)NCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000179541928 442473837 /nfs/dbraw/zinc/47/38/37/442473837.db2.gz KDZDZTNSXXZTMV-LBPRGKRZSA-N 0 0 335.408 1.414 10 0 EDAERN O=C(Cc1cc2ccccc2[nH]c1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767312 442539415 /nfs/dbraw/zinc/53/94/15/442539415.db2.gz AQTZVOVBZDGFGX-MRXNPFEDSA-N 0 0 341.411 1.004 10 0 EDAERN COC(=O)C1CCC(C(=O)Nn2c(C)nc3sccc3c2=O)CC1 ZINC000180132279 442546016 /nfs/dbraw/zinc/54/60/16/442546016.db2.gz KYHPFUMBVJPOEI-UHFFFAOYSA-N 0 0 349.412 1.816 10 0 EDAERN CCCc1ccc(C(=O)CCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000180213608 442559105 /nfs/dbraw/zinc/55/91/05/442559105.db2.gz MURGLGHQYBQRKL-OAHLLOKOSA-N 0 0 332.400 1.315 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)NCCCOC)CC2)cn1 ZINC000172647538 442513833 /nfs/dbraw/zinc/51/38/33/442513833.db2.gz DAXFXIURAQWXIU-UHFFFAOYSA-N 0 0 337.468 1.547 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccnc(OC3CCCCC3)c2)C1 ZINC000179882410 442515331 /nfs/dbraw/zinc/51/53/31/442515331.db2.gz NMJVHTYJQGFKJO-MRXNPFEDSA-N 0 0 333.432 1.854 10 0 EDAERN OC[C@H]1CCCN1c1cc(NCCCOC[C@@H]2CCOC2)ncn1 ZINC000156762209 442517221 /nfs/dbraw/zinc/51/72/21/442517221.db2.gz CABILGVKSUVUPM-LSDHHAIUSA-N 0 0 336.436 1.293 10 0 EDAERN CNC(=O)Cn1cnc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000172670913 442519614 /nfs/dbraw/zinc/51/96/14/442519614.db2.gz YVUPUAFGTZITRY-UWVGGRQHSA-N 0 0 335.314 1.045 10 0 EDAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CC[C@H](N2CCOCC2)C1 ZINC000172743600 442530985 /nfs/dbraw/zinc/53/09/85/442530985.db2.gz RNQKAYCXBGHKPJ-DOTOQJQBSA-N 0 0 329.400 1.113 10 0 EDAERN O=C(/C=C/c1cnc2ccccc2n1)N1CC[C@H](N2CCOCC2)C1 ZINC000172748549 442532512 /nfs/dbraw/zinc/53/25/12/442532512.db2.gz DNXUJEDWPQIQCN-JFDDCEBESA-N 0 0 338.411 1.576 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000172967185 442573676 /nfs/dbraw/zinc/57/36/76/442573676.db2.gz VPPVLBADLMFJGN-DZGCQCFKSA-N 0 0 340.445 1.132 10 0 EDAERN Cn1cnc(-c2ccc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc2)n1 ZINC000180291946 442575536 /nfs/dbraw/zinc/57/55/36/442575536.db2.gz DKNRKWATGJBWHK-INIZCTEOSA-N 0 0 341.415 1.029 10 0 EDAERN COCCOc1ccc(CC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000192080552 442587495 /nfs/dbraw/zinc/58/74/95/442587495.db2.gz YPBDNWGQQLNKCZ-INIZCTEOSA-N 0 0 334.416 1.381 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cccc(Br)c2F)C1 ZINC000191999132 442560253 /nfs/dbraw/zinc/56/02/53/442560253.db2.gz QXIUUAANSFILRL-SECBINFHSA-N 0 0 331.185 1.649 10 0 EDAERN CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000180227565 442562254 /nfs/dbraw/zinc/56/22/54/442562254.db2.gz XGAVSDJATGYVQG-CQSZACIVSA-N 0 0 342.399 1.978 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000192006013 442564355 /nfs/dbraw/zinc/56/43/55/442564355.db2.gz GCXZXRVEDLQOBQ-FZMZJTMJSA-N 0 0 339.399 1.278 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000180256510 442567708 /nfs/dbraw/zinc/56/77/08/442567708.db2.gz NPWRPTUPNSAVRD-PBHICJAKSA-N 0 0 345.443 1.367 10 0 EDAERN CC(F)(F)c1cccc(NC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000186959794 442636540 /nfs/dbraw/zinc/63/65/40/442636540.db2.gz RSUYRUAYXKLKKG-AWEZNQCLSA-N 0 0 343.374 1.613 10 0 EDAERN C[C@H](NC(=O)Cn1ncn(C)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000179390677 442638930 /nfs/dbraw/zinc/63/89/30/442638930.db2.gz HXQJMMWQGKHQEO-QMMMGPOBSA-N 0 0 329.187 1.766 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCN1CCOC ZINC000135551061 442609976 /nfs/dbraw/zinc/60/99/76/442609976.db2.gz GOSYBDKYJBEJIY-OAHLLOKOSA-N 0 0 343.431 1.450 10 0 EDAERN CSCCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173143297 442610882 /nfs/dbraw/zinc/61/08/82/442610882.db2.gz FWCXNIUWLMJORM-LBPRGKRZSA-N 0 0 339.465 1.276 10 0 EDAERN CN1CCO[C@H](CNC(=O)N(Cc2ccccc2)CC(C)(C)O)C1 ZINC000180540657 442619327 /nfs/dbraw/zinc/61/93/27/442619327.db2.gz KDGNEBZMJZDJBT-MRXNPFEDSA-N 0 0 335.448 1.300 10 0 EDAERN Cc1ncsc1/C=C/C(=O)N1CCCN(c2cccnn2)CC1 ZINC000187474783 442678320 /nfs/dbraw/zinc/67/83/20/442678320.db2.gz DVZXIICMXZNEIZ-AATRIKPKSA-N 0 0 329.429 1.994 10 0 EDAERN CCOc1ccccc1C(F)(F)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188071443 442707939 /nfs/dbraw/zinc/70/79/39/442707939.db2.gz MBESMDRZQXZJBY-NSHDSACASA-N 0 0 326.343 1.914 10 0 EDAERN O=C(c1cnc(Cl)cn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000192737107 442682135 /nfs/dbraw/zinc/68/21/35/442682135.db2.gz NVLRKIBUVJOMKQ-HNNXBMFYSA-N 0 0 346.818 1.621 10 0 EDAERN O=C(CCNC(=O)c1ccsc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181178891 442683090 /nfs/dbraw/zinc/68/30/90/442683090.db2.gz QRAFRUBYMMVDFP-LBPRGKRZSA-N 0 0 333.417 1.740 10 0 EDAERN CCOC(C)(C)CNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000187721245 442688536 /nfs/dbraw/zinc/68/85/36/442688536.db2.gz LEYURVARVNEWGX-UHFFFAOYSA-N 0 0 339.440 1.410 10 0 EDAERN COc1ccc(F)cc1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000187910738 442697291 /nfs/dbraw/zinc/69/72/91/442697291.db2.gz VYHFWVMSWSUWIS-CQSZACIVSA-N 0 0 349.366 1.544 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCO1 ZINC000181562381 442704233 /nfs/dbraw/zinc/70/42/33/442704233.db2.gz FJPCXKSSHDDACP-IUCAKERBSA-N 0 0 331.825 1.619 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(Cl)cn3)CCO2)[nH]1 ZINC000180846596 442664707 /nfs/dbraw/zinc/66/47/07/442664707.db2.gz OHANCFJNNADLTH-LBPRGKRZSA-N 0 0 336.783 1.445 10 0 EDAERN COCCN(CCOC)S(=O)(=O)N[C@@H](C)c1ccccc1C ZINC000193274075 442728541 /nfs/dbraw/zinc/72/85/41/442728541.db2.gz QOFMTVYTMYUTHD-AWEZNQCLSA-N 0 0 330.450 1.485 10 0 EDAERN CCn1ncnc1CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000193337366 442734096 /nfs/dbraw/zinc/73/40/96/442734096.db2.gz BMXXPIMAXZNJQT-UHFFFAOYSA-N 0 0 331.468 1.567 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O ZINC000193375382 442737129 /nfs/dbraw/zinc/73/71/29/442737129.db2.gz JSFBTUOCXCDPHR-YVEFUNNKSA-N 0 0 338.379 1.770 10 0 EDAERN CCCCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000193444956 442743087 /nfs/dbraw/zinc/74/30/87/442743087.db2.gz BDIZPAPABSTWBY-KBXIAJHMSA-N 0 0 326.437 1.068 10 0 EDAERN CC[C@@H](CCO)CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188360247 442743398 /nfs/dbraw/zinc/74/33/98/442743398.db2.gz MXSKSZYWZVGOHQ-RWMBFGLXSA-N 0 0 332.416 1.859 10 0 EDAERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188500403 442757213 /nfs/dbraw/zinc/75/72/13/442757213.db2.gz TULSKYHUABHGNX-UKRRQHHQSA-N 0 0 349.475 1.398 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCc1cscn1)CC2 ZINC000181662108 442708981 /nfs/dbraw/zinc/70/89/81/442708981.db2.gz WCBYXYYHHWDHPQ-NSHDSACASA-N 0 0 334.449 1.715 10 0 EDAERN COc1cc(NC(=O)[C@H]2CNC(=O)C2)cc(OC)c1Br ZINC000181730733 442713383 /nfs/dbraw/zinc/71/33/83/442713383.db2.gz RUKZGPNMWGSKFR-SSDOTTSWSA-N 0 0 343.177 1.541 10 0 EDAERN COC(=O)c1ccnc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000193797262 442788451 /nfs/dbraw/zinc/78/84/51/442788451.db2.gz CQYFGNPCMFESIG-ZDUSSCGKSA-N 0 0 329.360 1.971 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](CO)C(C)C)C(C)C ZINC000182618489 442796641 /nfs/dbraw/zinc/79/66/41/442796641.db2.gz KSTZGSMPWSTZPU-GDBMZVCRSA-N 0 0 336.432 1.583 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C[C@@H]1C ZINC000246714227 442806397 /nfs/dbraw/zinc/80/63/97/442806397.db2.gz KXDBUILGVLUQCA-ULQDDVLXSA-N 0 0 345.487 1.347 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188877077 442833383 /nfs/dbraw/zinc/83/33/83/442833383.db2.gz UPVMKRWGGBLOAT-AWEZNQCLSA-N 0 0 345.443 1.902 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000246799182 442814149 /nfs/dbraw/zinc/81/41/49/442814149.db2.gz RFEDLMATCMWESR-GJZGRUSLSA-N 0 0 340.427 1.671 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000188799703 442816160 /nfs/dbraw/zinc/81/61/60/442816160.db2.gz LZACOYNDQJFDOF-HUUCEWRRSA-N 0 0 338.835 1.716 10 0 EDAERN CN1CCO[C@@H](CN[C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000247015289 442828230 /nfs/dbraw/zinc/82/82/30/442828230.db2.gz CJWODJHBKTXDGS-ZWKOTPCHSA-N 0 0 331.460 1.660 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000188897329 442837619 /nfs/dbraw/zinc/83/76/19/442837619.db2.gz HMGSISVZJLFYEE-SNVBAGLBSA-N 0 0 330.306 1.865 10 0 EDAERN COC(=O)COc1c(C)cc(CN2CCCNC(=O)[C@H]2C)cc1C ZINC000189082860 442873367 /nfs/dbraw/zinc/87/33/67/442873367.db2.gz YWKBUTLHXWLXKA-CQSZACIVSA-N 0 0 334.416 1.566 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000189145144 442886091 /nfs/dbraw/zinc/88/60/91/442886091.db2.gz SYICAPSCYYVBRO-OAHLLOKOSA-N 0 0 328.372 1.471 10 0 EDAERN COCCN(C(C)=O)c1nc(CN[C@@H](C)[C@H]2CCCO2)cs1 ZINC000183155060 442891091 /nfs/dbraw/zinc/89/10/91/442891091.db2.gz AVUQYPOFWNYNQX-SMDDNHRTSA-N 0 0 327.450 1.800 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000248444640 442892381 /nfs/dbraw/zinc/89/23/81/442892381.db2.gz BOYOYDDSWFTPLP-WCQYABFASA-N 0 0 326.824 1.963 10 0 EDAERN CNS(=O)(=O)c1ccc([C@H](C)NCc2nnnn2C(C)C)cc1 ZINC000181053165 318478535 /nfs/dbraw/zinc/47/85/35/318478535.db2.gz XSIHQZODUXXCKW-NSHDSACASA-N 0 0 338.437 1.013 10 0 EDAERN C[C@@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1cccs1 ZINC000183199426 442901984 /nfs/dbraw/zinc/90/19/84/442901984.db2.gz IVTLWMKNBSGPPC-SNVBAGLBSA-N 0 0 336.417 1.535 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](CC)c2c(C)noc2C)CC1 ZINC000182053158 318496605 /nfs/dbraw/zinc/49/66/05/318496605.db2.gz JLYSULIBPJNJFP-CABCVRRESA-N 0 0 338.452 1.841 10 0 EDAERN Cc1nc(CN(C)C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)no1 ZINC000183346657 442923472 /nfs/dbraw/zinc/92/34/72/442923472.db2.gz XJPZIQSQOXKYRZ-YOEHRIQHSA-N 0 0 342.399 1.946 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](OC)c2ccccc2)CC1 ZINC000184799703 318538507 /nfs/dbraw/zinc/53/85/07/318538507.db2.gz VNXHZRYPZWFGKB-SJORKVTESA-N 0 0 335.448 1.472 10 0 EDAERN C[C@@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nnc2n1CCCC2 ZINC000188407715 318560163 /nfs/dbraw/zinc/56/01/63/318560163.db2.gz BEVBHRKBFPWURB-LLVKDONJSA-N 0 0 337.383 1.947 10 0 EDAERN Cc1nnc([C@@H]2CN(CCOCC(F)(F)C(F)(F)F)CCO2)[nH]1 ZINC000189449490 442956506 /nfs/dbraw/zinc/95/65/06/442956506.db2.gz DHOBPPXQQYSTGL-VIFPVBQESA-N 0 0 344.284 1.701 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccccc2F)n1 ZINC000183747261 442959031 /nfs/dbraw/zinc/95/90/31/442959031.db2.gz SZIOQNUAMBBOKN-LLVKDONJSA-N 0 0 327.337 1.279 10 0 EDAERN COC(=O)[C@](C)(CNC(=O)N[C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000249294460 442964574 /nfs/dbraw/zinc/96/45/74/442964574.db2.gz MUCLIRGWSBIMGU-JCKWVBRZSA-N 0 0 334.416 1.984 10 0 EDAERN CCc1nnc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1C ZINC000195056307 442979675 /nfs/dbraw/zinc/97/96/75/442979675.db2.gz RVCJYVMHKMRFOE-GFCCVEGCSA-N 0 0 336.461 1.974 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)CCN1CCOC ZINC000189660523 442990671 /nfs/dbraw/zinc/99/06/71/442990671.db2.gz VVOOLTDSPBTFFG-HUUCEWRRSA-N 0 0 341.496 1.497 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1cccc(N(C)C)n1)CC2 ZINC000184515081 443032879 /nfs/dbraw/zinc/03/28/79/443032879.db2.gz XHQQZBRMIWXDQZ-LBPRGKRZSA-N 0 0 343.435 1.999 10 0 EDAERN CCSCc1cc(C(=O)N2CCN(CCOC)[C@@H](C)C2)no1 ZINC000184564978 443040470 /nfs/dbraw/zinc/04/04/70/443040470.db2.gz WFQIIJZVOZSLQL-LBPRGKRZSA-N 0 0 327.450 1.720 10 0 EDAERN CCN(CCNC(=O)N1CC(NC(=O)C2CC2)C1)c1cccc(C)c1 ZINC000189977222 443041407 /nfs/dbraw/zinc/04/14/07/443041407.db2.gz ULIHEUINQAZWET-UHFFFAOYSA-N 0 0 344.459 1.741 10 0 EDAERN COc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)c(OC(F)F)c1 ZINC000189994312 443044081 /nfs/dbraw/zinc/04/40/81/443044081.db2.gz RJHSDEHGASSAOU-LLVKDONJSA-N 0 0 344.358 1.747 10 0 EDAERN CCOC(=O)[C@H](N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000223931132 443095623 /nfs/dbraw/zinc/09/56/23/443095623.db2.gz WORQPVUSIBPOEE-GZMMTYOYSA-N 0 0 329.194 1.517 10 0 EDAERN CN(C)c1ccnc(CNS(=O)(=O)c2ccc(F)cc2F)n1 ZINC000224196030 443096994 /nfs/dbraw/zinc/09/69/94/443096994.db2.gz LTRFMFTTXJLHBU-UHFFFAOYSA-N 0 0 328.344 1.299 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000184644613 443054013 /nfs/dbraw/zinc/05/40/13/443054013.db2.gz UAZBTENZOIYROM-CABCVRRESA-N 0 0 344.371 1.777 10 0 EDAERN COCCC1(CNC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)CC1 ZINC000190136886 443062974 /nfs/dbraw/zinc/06/29/74/443062974.db2.gz OWGMBOUHXIBYMT-QWHCGFSZSA-N 0 0 338.408 1.666 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@@H]2CC[C@H](C)O2)ncn1 ZINC000253550134 443073208 /nfs/dbraw/zinc/07/32/08/443073208.db2.gz NPXWJWHPXUDNHN-ZNMIVQPWSA-N 0 0 347.463 1.951 10 0 EDAERN O[C@H](CNc1ncncc1I)C(F)(F)F ZINC000236559201 443138881 /nfs/dbraw/zinc/13/88/81/443138881.db2.gz DLTVFTDXBWDXQY-RXMQYKEDSA-N 0 0 333.051 1.416 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc(C)n(Cc3ccccn3)c2C)C1 ZINC000190475435 443115393 /nfs/dbraw/zinc/11/53/93/443115393.db2.gz XQONCFQKCNJCDV-UHFFFAOYSA-N 0 0 326.400 1.509 10 0 EDAERN CCC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000185034477 443122357 /nfs/dbraw/zinc/12/23/57/443122357.db2.gz UTNAAHHYZOWZRB-HOCLYGCPSA-N 0 0 333.432 1.567 10 0 EDAERN O=C(NCCc1ccccc1)N1C[C@@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000257193675 443122448 /nfs/dbraw/zinc/12/24/48/443122448.db2.gz RXKVGGSTNZOMAR-HOTGVXAUSA-N 0 0 349.406 1.210 10 0 EDAERN CC(=O)NC1CN(C(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC000190506605 443122695 /nfs/dbraw/zinc/12/26/95/443122695.db2.gz PXLXYQHPHYKEFQ-UHFFFAOYSA-N 0 0 333.388 1.834 10 0 EDAERN O=C1C[C@@H](Nc2ncc(Br)cc2Br)CN1 ZINC000229238046 443126184 /nfs/dbraw/zinc/12/61/84/443126184.db2.gz DOZZHVSIUSAMQE-ZCFIWIBFSA-N 0 0 334.999 1.907 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(C)ccc2Br)C1 ZINC000185221775 443163676 /nfs/dbraw/zinc/16/36/76/443163676.db2.gz DACHAYRCYCXXBP-UHFFFAOYSA-N 0 0 341.205 1.345 10 0 EDAERN NC(=O)c1cc(I)cc(OC(F)(F)F)n1 ZINC000238610879 443196552 /nfs/dbraw/zinc/19/65/52/443196552.db2.gz LXLBOQCBSHQPMJ-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000190740745 443174684 /nfs/dbraw/zinc/17/46/84/443174684.db2.gz ZQSWKHMUYZQFBW-AUUYWEPGSA-N 0 0 330.428 1.987 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2cc(C)ccc2C)C1 ZINC000185283623 443175869 /nfs/dbraw/zinc/17/58/69/443175869.db2.gz IQZLWGCGPXQOGU-UHFFFAOYSA-N 0 0 332.400 1.240 10 0 EDAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCC1(c2ccccc2)CCCCC1 ZINC000185165579 443151785 /nfs/dbraw/zinc/15/17/85/443151785.db2.gz PXPCRDXLLJIFNG-QZTJIDSGSA-N 0 0 346.471 1.432 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000245514884 443233490 /nfs/dbraw/zinc/23/34/90/443233490.db2.gz GRMRDEJNFQNMTG-STQMWFEESA-N 0 0 348.472 1.676 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NC3C[C@H](C)O[C@@H](C)C3)CCO2)[nH]1 ZINC000245509773 443233665 /nfs/dbraw/zinc/23/36/65/443233665.db2.gz VCZIWIRJNKBXEH-GVXVVHGQSA-N 0 0 337.424 1.406 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)C12CCOCC2 ZINC000185687686 443239062 /nfs/dbraw/zinc/23/90/62/443239062.db2.gz QEHJBGKMPGWDDN-LJISPDSOSA-N 0 0 328.453 1.667 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCC(O)(CC)CC)C12CCOCC2 ZINC000185699404 443240222 /nfs/dbraw/zinc/24/02/22/443240222.db2.gz IDDIWXWCJDSWBP-KBPBESRZSA-N 0 0 328.453 1.811 10 0 EDAERN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](O)C(C)C ZINC000185876515 443274387 /nfs/dbraw/zinc/27/43/87/443274387.db2.gz ZDLJUAIVQSZESH-HOTGVXAUSA-N 0 0 332.400 1.775 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(Cc3cn(C(C)(C)C)nn3)CC2)n1 ZINC000191339009 443280888 /nfs/dbraw/zinc/28/08/88/443280888.db2.gz ACGZTAPMWHFKQE-CYBMUJFWSA-N 0 0 347.467 1.857 10 0 EDAERN O=C(NC1CN(C[C@@H](O)COc2ccccc2Cl)C1)C1CCC1 ZINC000185937693 443287528 /nfs/dbraw/zinc/28/75/28/443287528.db2.gz ZQLGTQLXUHYDIL-CQSZACIVSA-N 0 0 338.835 1.680 10 0 EDAERN COc1ccc(/C=C\C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1O ZINC000492406963 320378406 /nfs/dbraw/zinc/37/84/06/320378406.db2.gz NSGMCXHVTOSWOH-SBURYJAWSA-N 0 0 346.427 1.593 10 0 EDAERN CCOc1cc(N2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)ncn1 ZINC000547680775 320839223 /nfs/dbraw/zinc/83/92/23/320839223.db2.gz BCGZCRUBHSPVAW-MRXNPFEDSA-N 0 0 347.444 1.882 10 0 EDAERN Nc1ccc(N[C@@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1 ZINC000328638131 444407531 /nfs/dbraw/zinc/40/75/31/444407531.db2.gz OXYCJUYTKGVNRN-CQSZACIVSA-N 0 0 341.415 1.319 10 0 EDAERN CCn1ccnc(N2CCC(Nc3cc(C)c(C)nn3)CC2)c1=O ZINC000328656262 444417475 /nfs/dbraw/zinc/41/74/75/444417475.db2.gz ZEZCLJDFKLFDFU-UHFFFAOYSA-N 0 0 328.420 1.751 10 0 EDAERN CNC(=O)c1ccn([C@H]2CCCN(Cc3cnc4ncccn34)C2)n1 ZINC000328625387 444399335 /nfs/dbraw/zinc/39/93/35/444399335.db2.gz DCTSQIYAIJCSNV-ZDUSSCGKSA-N 0 0 339.403 1.123 10 0 EDAERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000328625242 444399431 /nfs/dbraw/zinc/39/94/31/444399431.db2.gz KNBZGZIERLCCAN-ZJUUUORDSA-N 0 0 336.417 1.973 10 0 EDAERN Cc1cc(C(=O)N2CCO[C@H](c3nncn3C)C2)nc2ccccc12 ZINC000328626156 444400393 /nfs/dbraw/zinc/40/03/93/444400393.db2.gz LKUQZAJJZCRGSO-INIZCTEOSA-N 0 0 337.383 1.885 10 0 EDAERN CCn1cnnc1[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)CCO1 ZINC000583614993 448440491 /nfs/dbraw/zinc/44/04/91/448440491.db2.gz KJDWCCPTPYYNRE-JYJNAYRXSA-N 0 0 341.415 1.937 10 0 EDAERN C[C@H]1CCO[C@H]1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000583615393 448440684 /nfs/dbraw/zinc/44/06/84/448440684.db2.gz LLORZJRKEVSKPO-RMRHIDDWSA-N 0 0 336.436 1.530 10 0 EDAERN O=C(CCc1cccc(F)c1F)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617787 448444509 /nfs/dbraw/zinc/44/45/09/448444509.db2.gz RXDPBXLVMCWDMC-MRXNPFEDSA-N 0 0 336.342 1.526 10 0 EDAERN CC(C)CCc1noc(CN2CC[C@](O)(c3cn(C(C)C)nn3)C2)n1 ZINC000583618150 448447442 /nfs/dbraw/zinc/44/74/42/448447442.db2.gz GGGZCDQFJTXCFV-QGZVFWFLSA-N 0 0 348.451 1.924 10 0 EDAERN CCc1onc(C)c1C(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583618990 448448526 /nfs/dbraw/zinc/44/85/26/448448526.db2.gz QJNWBPXASXWXHF-KRWDZBQOSA-N 0 0 347.419 1.842 10 0 EDAERN CN1C(=O)C[C@@H](NCc2nc(-c3ccoc3)no2)[C@@H]1c1cccnc1 ZINC000583620153 448451073 /nfs/dbraw/zinc/45/10/73/448451073.db2.gz IALAJDLTULZABW-CJNGLKHVSA-N 0 0 339.355 1.786 10 0 EDAERN Cn1cnnc1[C@H]1CN(C(=O)NC[C@]2(C)CCCS2)CCO1 ZINC000583623980 448454640 /nfs/dbraw/zinc/45/46/40/448454640.db2.gz BPGFNBYHLQNWKS-RISCZKNCSA-N 0 0 325.438 1.184 10 0 EDAERN O=C(CN1CC1)OCCCCCCCCCCOC(=O)CN1CC1 ZINC000584616623 448584900 /nfs/dbraw/zinc/58/49/00/448584900.db2.gz MUIJPSGGNHFTLE-UHFFFAOYSA-N 0 0 340.464 1.825 10 0 EDAERN COc1ccccc1OCC[NH2+]C[C@@H](O)COC(C)(C)C(C)=O ZINC000584624407 448586379 /nfs/dbraw/zinc/58/63/79/448586379.db2.gz DAPDDONBWFRHQC-CQSZACIVSA-N 0 0 325.405 1.409 10 0 EDAERN COc1cc2c(ccnc2OC[C@]2(C)COC(=O)N2)cc1C(N)=O ZINC000584639754 448587782 /nfs/dbraw/zinc/58/77/82/448587782.db2.gz JZTWLVMMCGQQLU-MRXNPFEDSA-N 0 0 331.328 1.220 10 0 EDAERN Cc1ncn(-c2c(Cl)nc3ncnn3c2N2CCC(C)CC2)n1 ZINC000584662183 448590200 /nfs/dbraw/zinc/59/02/00/448590200.db2.gz ZXXZFEQSNNILRA-UHFFFAOYSA-N 0 0 332.799 1.903 10 0 EDAERN COC(=O)Cc1cn2c(cc(I)cc2C)n1 ZINC000585656099 448737202 /nfs/dbraw/zinc/73/72/02/448737202.db2.gz GUOOJTYIHYVKOR-UHFFFAOYSA-N 0 0 330.125 1.963 10 0 EDAERN COc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)nc1 ZINC000614048982 449431418 /nfs/dbraw/zinc/43/14/18/449431418.db2.gz NRKWIIATQPAJSJ-HUUCEWRRSA-N 0 0 330.388 1.608 10 0 EDAERN Cc1ccc(C(=O)NC[C@H]2CC(=O)N(C)C2)cc1Br ZINC000619004069 450373776 /nfs/dbraw/zinc/37/37/76/450373776.db2.gz QHGKKHOSTGUOAR-SNVBAGLBSA-N 0 0 325.206 1.966 10 0 EDAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000625596202 450443475 /nfs/dbraw/zinc/44/34/75/450443475.db2.gz JXNTXYNIYNZDED-MNOVXSKESA-N 0 0 326.201 1.422 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](OC(F)(F)F)C1 ZINC000616597994 450454442 /nfs/dbraw/zinc/45/44/42/450454442.db2.gz MRKUVKVVAYOSIX-JTQLQIEISA-N 0 0 328.331 1.748 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1ccc(CCO)cc1 ZINC000616605185 450455637 /nfs/dbraw/zinc/45/56/37/450455637.db2.gz VEHAQYAOBKGREG-SFHVURJKSA-N 0 0 346.452 1.557 10 0 EDAERN Cn1cc(O[C@@H]2CN(Cc3cc(-c4ccco4)on3)C[C@H]2O)cn1 ZINC000625623215 450456172 /nfs/dbraw/zinc/45/61/72/450456172.db2.gz ZMPJPYHELWCQJG-CZUORRHYSA-N 0 0 330.344 1.292 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2ccc3ccnnc3c2)Nc2ccccc21 ZINC000616681599 450459824 /nfs/dbraw/zinc/45/98/24/450459824.db2.gz ZIYBEGKFBAFDGZ-HNNXBMFYSA-N 0 0 341.396 1.807 10 0 EDAERN C[C@@H](C(=O)N1CCO[C@H](C2CCC2)C1)N1C(=O)c2ccccc2C1=O ZINC000665944502 452480574 /nfs/dbraw/zinc/48/05/74/452480574.db2.gz FVQQYZZXBXLOGB-LRDDRELGSA-N 0 0 342.395 1.699 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000124205778 491209148 /nfs/dbraw/zinc/20/91/48/491209148.db2.gz USTGWXVENLVSGG-NWDGAFQWSA-N 0 0 328.438 1.164 10 0 EDAERN CC(C)OC1CCC(NC(=O)NC[C@H](C)N2CCOCC2)CC1 ZINC000121637034 490999595 /nfs/dbraw/zinc/99/95/95/490999595.db2.gz NXDHIAUHVPMPAM-FHERZECASA-N 0 0 327.469 1.743 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187924706 533738496 /nfs/dbraw/zinc/73/84/96/533738496.db2.gz DECYXFJGFFVXIL-ABAIWWIYSA-N 0 0 341.411 1.839 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC(C)(C)C1 ZINC000187640399 533790367 /nfs/dbraw/zinc/79/03/67/533790367.db2.gz RJCPBBWZFNOHTQ-LBPRGKRZSA-N 0 0 349.456 1.762 10 0 EDAERN COc1ccc(Cl)cc1-c1nnc(S(N)(=O)=O)n1C1CC1 ZINC000158327684 533830448 /nfs/dbraw/zinc/83/04/48/533830448.db2.gz ICRBGPFDFLGOJH-UHFFFAOYSA-N 0 0 328.781 1.589 10 0 EDAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)N(C)c1ccccc1 ZINC000190208590 533914620 /nfs/dbraw/zinc/91/46/20/533914620.db2.gz YQNGQTLHYVZTSR-ZDUSSCGKSA-N 0 0 330.432 1.431 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1CO ZINC000168547812 533927484 /nfs/dbraw/zinc/92/74/84/533927484.db2.gz RIAOQNRIAVUJFK-MWLCHTKSSA-N 0 0 334.199 1.980 10 0 EDAERN Cc1ccc(CNC(=O)C[S@](=O)Cc2nnnn2C(C)C)cc1 ZINC000176572257 533991619 /nfs/dbraw/zinc/99/16/19/533991619.db2.gz PORGBHKORBLUJS-HSZRJFAPSA-N 0 0 335.433 1.128 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCCOCCc2ccccc2)C1 ZINC000079466308 534657908 /nfs/dbraw/zinc/65/79/08/534657908.db2.gz WWMVMSQSHDVGIV-SFHVURJKSA-N 0 0 347.459 1.946 10 0 EDAERN Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174008276 534674806 /nfs/dbraw/zinc/67/48/06/534674806.db2.gz WZHINIUPWNOOCZ-HNNXBMFYSA-N 0 0 331.416 1.175 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCc2ccccc2OC(F)(F)F)C1 ZINC000190246536 526707963 /nfs/dbraw/zinc/70/79/63/526707963.db2.gz IOCXZRFKCSPZLS-UHFFFAOYSA-N 0 0 345.321 1.658 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000190222315 526708904 /nfs/dbraw/zinc/70/89/04/526708904.db2.gz UOJMJNQYEUYEGS-UHFFFAOYSA-N 0 0 345.378 1.084 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000189790160 526709933 /nfs/dbraw/zinc/70/99/33/526709933.db2.gz XJWNPVFVRZKKDO-UHFFFAOYSA-N 0 0 345.321 1.658 10 0 EDAERN C=CC(=O)NCCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000171833762 526929805 /nfs/dbraw/zinc/92/98/05/526929805.db2.gz BMSMHBBDJDCPLJ-BBRMVZONSA-N 0 0 331.416 1.250 10 0 EDAERN CC(=O)c1c[nH]c(=O)n(-c2c(F)cc(F)cc2Br)c1=O ZINC000159253887 527176530 /nfs/dbraw/zinc/17/65/30/527176530.db2.gz WXWDBVRKWLSFHW-UHFFFAOYSA-N 0 0 345.099 1.769 10 0 EDAERN CCOC(=O)[C@@H](N)[C@H](O)c1ccc(Br)c2cccnc21 ZINC000166531207 527796601 /nfs/dbraw/zinc/79/66/01/527796601.db2.gz XFAMFUGVBVDXHY-WCQYABFASA-N 0 0 339.189 1.921 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)COc1cccc(C=O)c1)CC2 ZINC000172016944 528477194 /nfs/dbraw/zinc/47/71/94/528477194.db2.gz MAQZKKCTLJSACN-CQSZACIVSA-N 0 0 342.399 1.724 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000163437011 528481983 /nfs/dbraw/zinc/48/19/83/528481983.db2.gz PAZKRCDIJNUQHV-GFCCVEGCSA-N 0 0 334.401 1.164 10 0 EDAERN CCCNc1nc(C)cc(N2CCSC[C@H]2S(C)(=O)=O)n1 ZINC000157026879 528574426 /nfs/dbraw/zinc/57/44/26/528574426.db2.gz GCWNDVXVUVGWFS-GFCCVEGCSA-N 0 0 330.479 1.531 10 0 EDAERN CC(F)(F)c1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000187455644 528741434 /nfs/dbraw/zinc/74/14/34/528741434.db2.gz YCECNWKLTURUGA-LBPRGKRZSA-N 0 0 349.341 1.460 10 0 EDAERN CCCC[C@H](C(=O)OC)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000173335815 528879263 /nfs/dbraw/zinc/87/92/63/528879263.db2.gz BUKXYPDXVRASFR-QGZVFWFLSA-N 0 0 336.480 1.886 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)Oc2ccccc2)CC1 ZINC000181762444 529226748 /nfs/dbraw/zinc/22/67/48/529226748.db2.gz OGQGSWZAGSWOJW-JKSUJKDBSA-N 0 0 335.448 1.552 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176563646 529270181 /nfs/dbraw/zinc/27/01/81/529270181.db2.gz ZDYJFPGHSDPHEL-IPQOISQHSA-N 0 0 327.454 1.294 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1n[nH]c3ccccc13)CC2 ZINC000195293368 535027085 /nfs/dbraw/zinc/02/70/85/535027085.db2.gz YGRQJAUFVWTPDZ-GFCCVEGCSA-N 0 0 338.415 1.952 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H](C)Cn1cccn1)CC2 ZINC000181505664 535028640 /nfs/dbraw/zinc/02/86/40/535028640.db2.gz OSUZQEJLDKCIBU-ZIAGYGMSSA-N 0 0 345.451 1.548 10 0 EDAERN CC(C)COC(=O)N1CCC(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000177568222 535174667 /nfs/dbraw/zinc/17/46/67/535174667.db2.gz IIHVYKKDXMBXEX-AWEZNQCLSA-N 0 0 349.435 1.734 10 0 EDAERN CCCOc1ccc(CNC(=O)CN2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000077170199 535261481 /nfs/dbraw/zinc/26/14/81/535261481.db2.gz GFZUPJYXOGVPAY-QGZVFWFLSA-N 0 0 347.459 1.692 10 0 EDAERN CC(C)C[C@@H](C)N(C)C(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000131356014 535269396 /nfs/dbraw/zinc/26/93/96/535269396.db2.gz ROFHNBKKOYBXLS-VERVWZFWSA-N 0 0 329.470 1.396 10 0 EDAERN CC(C)[C@H]1N(C(=O)NCc2nnc3n2CCCC3)C[C@@]12CCCO2 ZINC000333727207 535274082 /nfs/dbraw/zinc/27/40/82/535274082.db2.gz JEVOYNAGRNOOPA-WBVHZDCISA-N 0 0 333.436 1.713 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCSCC ZINC000246835052 535299819 /nfs/dbraw/zinc/29/98/19/535299819.db2.gz PCLCGMSTIWDHGR-OLZOCXBDSA-N 0 0 336.523 1.839 10 0 EDAERN CCOC(=O)N[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000119390707 535399116 /nfs/dbraw/zinc/39/91/16/535399116.db2.gz DVYZUPPNOMAIFV-KEYYUXOJSA-N 0 0 326.437 1.911 10 0 EDAERN CCOCCN1CCN(C(=O)C[C@H]2c3ccccc3NC2=O)C[C@H]1C ZINC000247010151 535593739 /nfs/dbraw/zinc/59/37/39/535593739.db2.gz HCYHDINWBOTRKR-ZBFHGGJFSA-N 0 0 345.443 1.682 10 0 EDAERN CCn1c(CN2CCCN(C(=O)COC)CC2)nc2ccccc21 ZINC000215741438 535980529 /nfs/dbraw/zinc/98/05/29/535980529.db2.gz VSKNFSQGCNTUQA-UHFFFAOYSA-N 0 0 330.432 1.737 10 0 EDAERN CCn1cc([C@@H]2CN(S(=O)(=O)CCOC(C)C)CCO2)cn1 ZINC000189229377 536091127 /nfs/dbraw/zinc/09/11/27/536091127.db2.gz HRCAQLZFNOGMHZ-AWEZNQCLSA-N 0 0 331.438 1.031 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188492280 536665590 /nfs/dbraw/zinc/66/55/90/536665590.db2.gz XGMPIEQBVSMQPO-UHFFFAOYSA-N 0 0 344.411 1.785 10 0 EDAERN COC[C@H](C)S(=O)(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000246079037 536840630 /nfs/dbraw/zinc/84/06/30/536840630.db2.gz GFIDSTXIWHCCNE-BPUTZDHNSA-N 0 0 327.446 1.939 10 0 EDAERN NC(=O)[C@H]1CCN1C(=O)c1sccc1I ZINC000757146085 579965099 /nfs/dbraw/zinc/96/50/99/579965099.db2.gz PCEXOZUVKCPSGF-ZCFIWIBFSA-N 0 0 336.154 1.053 10 0 EDAERN Cn1c2[nH]c(N[C@@H]3CCCc4cc(F)ccc43)nc2c(=O)n(C)c1=O ZINC000893064857 590644184 /nfs/dbraw/zinc/64/41/84/590644184.db2.gz WTUJXIIKJHZTAF-GFCCVEGCSA-N 0 0 343.362 1.589 10 0 EDAERN c1nn(CC2CC2)cc1[C@H]1OCC[C@@H]1Nc1nccn2cnnc12 ZINC000888078953 590935795 /nfs/dbraw/zinc/93/57/95/590935795.db2.gz MZRGGXFGNDQPBP-UONOGXRCSA-N 0 0 325.376 1.673 10 0 EDAERN Cc1cnnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)c1 ZINC000892381881 591002758 /nfs/dbraw/zinc/00/27/58/591002758.db2.gz YREZFHHLEFRMCU-INIZCTEOSA-N 0 0 328.416 1.347 10 0 EDAERN Cc1nc2c(cccc2C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)o1 ZINC000888095581 591025813 /nfs/dbraw/zinc/02/58/13/591025813.db2.gz RQFUZZJBEUEBFN-DCGLDWPTSA-N 0 0 343.383 1.692 10 0 EDAERN O=C(c1noc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1Cn1cncn1 ZINC000896326568 591427741 /nfs/dbraw/zinc/42/77/41/591427741.db2.gz PVTSYESUQAUDOO-CYBMUJFWSA-N 0 0 342.334 1.772 10 0 EDAERN CN(C[C@H]1CCc2nccn2C1)C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000897473315 591475507 /nfs/dbraw/zinc/47/55/07/591475507.db2.gz UZESMFWVQINODJ-CJNGLKHVSA-N 0 0 338.411 1.779 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000896882523 591646671 /nfs/dbraw/zinc/64/66/71/591646671.db2.gz UPTJZTWCRHKGFF-KBPBESRZSA-N 0 0 325.372 1.412 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899082438 591670530 /nfs/dbraw/zinc/67/05/30/591670530.db2.gz HWDUPRUOLYLKDC-MRXNPFEDSA-N 0 0 349.398 1.823 10 0 EDAERN COC1(OC)CC2(CN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@H]2C(C)C)C1 ZINC000898346438 591879289 /nfs/dbraw/zinc/87/92/89/591879289.db2.gz LURLOYUGJZWGSE-WFASDCNBSA-N 0 0 348.447 1.546 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(Cn2ncc3ccccc3c2=O)C1 ZINC000101538823 595166350 /nfs/dbraw/zinc/16/63/50/595166350.db2.gz AUMNUBKUUIRESX-HNNXBMFYSA-N 0 0 328.416 1.735 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C[C@H]1C ZINC000117287139 595614906 /nfs/dbraw/zinc/61/49/06/595614906.db2.gz CJSZPPLUKAQYSF-PBHICJAKSA-N 0 0 331.416 1.359 10 0 EDAERN O=C(OCc1ccccc1)[C@H]1CCCN1C[C@H](O)CN1CCCC1=O ZINC000116402720 595916856 /nfs/dbraw/zinc/91/68/56/595916856.db2.gz JVWOYQSGDDPSCG-DLBZAZTESA-N 0 0 346.427 1.178 10 0 EDAERN CN(C)c1nc([C@H]2CCN(C(=O)c3ccncc3F)C2)cc(=O)[nH]1 ZINC000864839616 596381446 /nfs/dbraw/zinc/38/14/46/596381446.db2.gz KEWKGDHFCVRPAK-JTQLQIEISA-N 0 0 331.351 1.412 10 0 EDAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3ccc(CO)cc3)C2)cc(=O)[nH]1 ZINC000864841699 596383439 /nfs/dbraw/zinc/38/34/39/596383439.db2.gz BKPDXHUBVSUNMC-CQSZACIVSA-N 0 0 342.399 1.370 10 0 EDAERN CCCn1c(CO)nn(CN2CC[C@H](c3cnn(C)c3)C2)c1=S ZINC000120491327 596543197 /nfs/dbraw/zinc/54/31/97/596543197.db2.gz YRPPDNVXOGNYDJ-LBPRGKRZSA-N 0 0 336.465 1.497 10 0 EDAERN O=C1C(=O)N(CN2CCO[C@@H](c3nccs3)C2)c2c1cccc2F ZINC000132652919 597875838 /nfs/dbraw/zinc/87/58/38/597875838.db2.gz CFVUMCUODSDSFY-GFCCVEGCSA-N 0 0 347.371 1.843 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cn1nc(CO)n(C2CC2)c1=S ZINC000133418453 597965787 /nfs/dbraw/zinc/96/57/87/597965787.db2.gz REMMENBLKFWSFD-SNVBAGLBSA-N 0 0 342.465 1.861 10 0 EDAERN CCS(=O)(=O)N(C)CCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000032442380 695807061 /nfs/dbraw/zinc/80/70/61/695807061.db2.gz SWCJERHNSYSJSR-JLHYYAGUSA-N 0 0 346.474 1.248 10 0 EDAERN CC[C@@H]1CN(C(=O)NCC[S@@](=O)C(C)(C)C)CCN1C[C@@H](C)O ZINC000181780584 700036666 /nfs/dbraw/zinc/03/66/66/700036666.db2.gz DDVWRZSIOVSTDB-GJDIJTJZSA-N 0 0 347.525 1.020 10 0 EDAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175280149 697714843 /nfs/dbraw/zinc/71/48/43/697714843.db2.gz SERZXJNDWSHPRC-DAXOMENPSA-N 0 0 330.388 1.734 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(OC)c(Br)n1)C(C)C ZINC000181445421 699604964 /nfs/dbraw/zinc/60/49/64/699604964.db2.gz FYSVTCWJOVTCKV-SNVBAGLBSA-N 0 0 344.209 1.353 10 0 EDAERN COC(=O)[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181685364 699951731 /nfs/dbraw/zinc/95/17/31/699951731.db2.gz WUDPBOMKCCLBIO-CYBMUJFWSA-N 0 0 339.323 1.700 10 0 EDAERN Cc1cccnc1/C=C/C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000186339307 705381741 /nfs/dbraw/zinc/38/17/41/705381741.db2.gz NMVZOBBNNRNQQV-LXKVQUBZSA-N 0 0 345.424 1.928 10 0 EDAERN Nc1cc(F)cc(Br)c1OCC(=O)NC1CCOCC1 ZINC000062767559 214731591 /nfs/dbraw/zinc/73/15/91/214731591.db2.gz NCJGWMJCGAFCMP-UHFFFAOYSA-N 0 0 347.184 1.844 10 0 EDAERN Cc1nc(N)sc1C(=O)Nc1cccc(S(N)(=O)=O)c1C ZINC000055173211 214283496 /nfs/dbraw/zinc/28/34/96/214283496.db2.gz AWSFMQWPEXSBKQ-UHFFFAOYSA-N 0 0 326.403 1.242 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)CCO2)[nH]1 ZINC000173735067 231018908 /nfs/dbraw/zinc/01/89/08/231018908.db2.gz OFIHSEBFZSRLHQ-HNNXBMFYSA-N 0 0 348.428 1.364 10 0 EDAERN CC(=O)N1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 ZINC000004280382 210160519 /nfs/dbraw/zinc/16/05/19/210160519.db2.gz XZCUXYJKMHXIGS-UHFFFAOYSA-N 0 0 333.369 1.597 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000187852499 530017120 /nfs/dbraw/zinc/01/71/20/530017120.db2.gz MNCJVYDWCLYLIV-FZMZJTMJSA-N 0 0 325.434 1.077 10 0 EDAERN CCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC ZINC000014657763 201939723 /nfs/dbraw/zinc/93/97/23/201939723.db2.gz ONEYTMPPVITLCP-UHFFFAOYSA-N 0 0 337.401 1.203 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000246097330 539598429 /nfs/dbraw/zinc/59/84/29/539598429.db2.gz OIQHCGJLIPMTRZ-LZWOXQAQSA-N 0 0 333.432 1.991 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCS(=O)CC2)[C@H]1c1ccccc1 ZINC000171804272 282615899 /nfs/dbraw/zinc/61/58/99/282615899.db2.gz XWXQFEVSOJGLCE-GOEBONIOSA-N 0 0 334.441 1.187 10 0 EDAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@H]1CCCc2ccccc21 ZINC000181683450 234284219 /nfs/dbraw/zinc/28/42/19/234284219.db2.gz MVWWZJYQCCMRQJ-AWEZNQCLSA-N 0 0 327.388 1.516 10 0 EDAERN COC1(CNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CCC1 ZINC000181817112 234335706 /nfs/dbraw/zinc/33/57/06/234335706.db2.gz FEFXSFPQNQJQIO-CQSZACIVSA-N 0 0 333.436 1.656 10 0 EDAERN O=C(/C=C/c1ccncn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000181956736 234392446 /nfs/dbraw/zinc/39/24/46/234392446.db2.gz ADQLKKARRUYTOE-IPLHWJFFSA-N 0 0 338.411 1.368 10 0 EDAERN CCc1nc(-c2ccc(C(=O)N[C@@H]3CCCn4ncnc43)cc2)n[nH]1 ZINC000127613294 222863368 /nfs/dbraw/zinc/86/33/68/222863368.db2.gz BYFNJVRPQVDMOI-CYBMUJFWSA-N 0 0 337.387 1.891 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)o1 ZINC000183287661 234991136 /nfs/dbraw/zinc/99/11/36/234991136.db2.gz YDLKBOFUGRMAQA-SMDDNHRTSA-N 0 0 328.434 1.238 10 0 EDAERN CC(C)COc1ccc([C@@H](C)NC(=O)CCNS(C)(=O)=O)cc1 ZINC000177475076 540105164 /nfs/dbraw/zinc/10/51/64/540105164.db2.gz NPQWSFCKWWYCSG-CYBMUJFWSA-N 0 0 342.461 1.838 10 0 EDAERN CC[C@H](CO)N1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000179408832 540117589 /nfs/dbraw/zinc/11/75/89/540117589.db2.gz LSFLZXFUDCESIH-GOEBONIOSA-N 0 0 348.447 1.112 10 0 EDAERN Cc1ccccc1[C@@H](C)NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000180584298 540121773 /nfs/dbraw/zinc/12/17/73/540121773.db2.gz AWYWPMYEWWMHMJ-SNVBAGLBSA-N 0 0 338.389 1.805 10 0 EDAERN C[C@H](C(=O)Nc1nc2ccccn2n1)N1C(=O)c2ccccc2C1=O ZINC000182449933 540131948 /nfs/dbraw/zinc/13/19/48/540131948.db2.gz BDMRWFGPCBWQHE-SNVBAGLBSA-N 0 0 335.323 1.353 10 0 EDAERN C[C@@H](C(=O)NCC[C@@H]1CCCCO1)N1C(=O)c2ccccc2C1=O ZINC000182823453 540134129 /nfs/dbraw/zinc/13/41/29/540134129.db2.gz NAVYNSCBRXBAPY-STQMWFEESA-N 0 0 330.384 1.747 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000189024654 540162672 /nfs/dbraw/zinc/16/26/72/540162672.db2.gz IPAOYGUJPCZVRF-BZUAXINKSA-N 0 0 334.441 1.285 10 0 EDAERN CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041600867 138103392 /nfs/dbraw/zinc/10/33/92/138103392.db2.gz IIMTWIMGORHDLI-CQSZACIVSA-N 0 0 333.432 1.585 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1cnn(C)c1)C(C)C ZINC000042759317 138108598 /nfs/dbraw/zinc/10/85/98/138108598.db2.gz LSEJCDHVDUACJS-QGZVFWFLSA-N 0 0 342.443 1.842 10 0 EDAERN Cc1ccccc1CN1CCN(C(=O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000066404596 138177455 /nfs/dbraw/zinc/17/74/55/138177455.db2.gz YUYPZAABEDJIBD-QZTJIDSGSA-N 0 0 345.487 1.748 10 0 EDAERN COC(=O)Nc1cc(CN2C(=O)[C@H]3CCCN3C2=O)ccc1OC ZINC000020529628 202048053 /nfs/dbraw/zinc/04/80/53/202048053.db2.gz DTSDRGUSAXHTEW-GFCCVEGCSA-N 0 0 333.344 1.800 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N(C)CC(=O)N(C)C)C(C)C ZINC000072781163 138209769 /nfs/dbraw/zinc/20/97/69/138209769.db2.gz KEOCOQIWKDRMKR-INIZCTEOSA-N 0 0 333.432 1.296 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](CO)C1 ZINC000037929812 202065038 /nfs/dbraw/zinc/06/50/38/202065038.db2.gz DUWGXWSKWYCWEH-VIFPVBQESA-N 0 0 349.250 1.424 10 0 EDAERN Cc1sc2[nH]c(CNCCCS(C)(=O)=O)nc(=O)c2c1C ZINC000038048164 202092637 /nfs/dbraw/zinc/09/26/37/202092637.db2.gz SHYMSBPDTNNLLE-UHFFFAOYSA-N 0 0 329.447 1.126 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000077747379 138254506 /nfs/dbraw/zinc/25/45/06/138254506.db2.gz KLBPTDKAVFTTLI-ZANVPECISA-N 0 0 325.372 1.812 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCn3nc(CC)nc32)C1 ZINC000088197521 138272040 /nfs/dbraw/zinc/27/20/40/138272040.db2.gz MOOKJLAZUTUYMW-OLZOCXBDSA-N 0 0 349.435 1.660 10 0 EDAERN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091783998 138285002 /nfs/dbraw/zinc/28/50/02/138285002.db2.gz XLGNHOXCKGNKKK-HIFRSBDPSA-N 0 0 334.416 1.598 10 0 EDAERN CCOc1ccc(-c2nc(CN3CCOC[C@H]3C(N)=O)cs2)cc1 ZINC000092229763 138287005 /nfs/dbraw/zinc/28/70/05/138287005.db2.gz ZZRKWYXVIPVVDV-HNNXBMFYSA-N 0 0 347.440 1.895 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)NC1CCCCC1 ZINC000088280728 138272346 /nfs/dbraw/zinc/27/23/46/138272346.db2.gz ZBMXORAAYVVWHF-ZDUSSCGKSA-N 0 0 348.451 1.424 10 0 EDAERN CCOc1ncccc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810577 138301890 /nfs/dbraw/zinc/30/18/90/138301890.db2.gz MPWQOBUHKFNDLG-UHFFFAOYSA-N 0 0 327.388 1.623 10 0 EDAERN CN1CCN(C(=O)CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000093203882 138292615 /nfs/dbraw/zinc/29/26/15/138292615.db2.gz ORYVJIVTGZSOJJ-QGZVFWFLSA-N 0 0 347.434 1.637 10 0 EDAERN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@@H]1CNC(=O)C1 ZINC000108982546 138305442 /nfs/dbraw/zinc/30/54/42/138305442.db2.gz ZOVAUJVAYKZQHF-LBPRGKRZSA-N 0 0 325.372 1.356 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3c(C)nn(C)c3C)CC2)no1 ZINC000109922749 138306646 /nfs/dbraw/zinc/30/66/46/138306646.db2.gz RTDFCPAGQKCVRX-UHFFFAOYSA-N 0 0 346.435 1.005 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(CC)cc1)CC2 ZINC000114866341 138310636 /nfs/dbraw/zinc/31/06/36/138310636.db2.gz KQSWYRJDJBDHNX-AWEZNQCLSA-N 0 0 328.416 1.913 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NC(C3CC3)C3CC3)CC2)cn1 ZINC000115791987 138311376 /nfs/dbraw/zinc/31/13/76/138311376.db2.gz OYQHCVNFXDRVIZ-UHFFFAOYSA-N 0 0 331.464 1.826 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CN3CCCCC3=O)C2)n1 ZINC000116775826 138311984 /nfs/dbraw/zinc/31/19/84/138311984.db2.gz BCXIVFLGAIMURK-HNNXBMFYSA-N 0 0 333.436 1.146 10 0 EDAERN O=C(CS(=O)(=O)C1CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000125331358 138333269 /nfs/dbraw/zinc/33/32/69/138333269.db2.gz LDQOOAHFWNBMNS-UHFFFAOYSA-N 0 0 325.434 1.473 10 0 EDAERN O=C(Nc1cccc(-c2cnco2)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130661103 138344069 /nfs/dbraw/zinc/34/40/69/138344069.db2.gz APQDNQNSNJZBRZ-DZGCQCFKSA-N 0 0 343.383 1.947 10 0 EDAERN CS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000125840793 138336394 /nfs/dbraw/zinc/33/63/94/138336394.db2.gz HFJBXGIYXMDUAL-UHFFFAOYSA-N 0 0 333.413 1.833 10 0 EDAERN CC(C)CCn1cc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)nn1 ZINC000131972974 138369039 /nfs/dbraw/zinc/36/90/39/138369039.db2.gz PWHCJJVMPXVZKH-ZDUSSCGKSA-N 0 0 345.451 1.784 10 0 EDAERN CC(C)c1ccc([C@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000030899609 202200012 /nfs/dbraw/zinc/20/00/12/202200012.db2.gz WQXHZKSMUYRZIO-ZDUSSCGKSA-N 0 0 329.400 1.548 10 0 EDAERN CCCc1cc2c(s1)=N[C@H](C)N(C)C=2SCC(=O)NC1CC1 ZINC000038805650 202209738 /nfs/dbraw/zinc/20/97/38/202209738.db2.gz MSJKHIYFCIRXCD-JTQLQIEISA-N 0 0 337.514 1.689 10 0 EDAERN Cc1ccn2ncc(C(=O)N[C@@H]3CCc4nc(C(C)C)nn4C3)c2n1 ZINC000133554065 138395206 /nfs/dbraw/zinc/39/52/06/138395206.db2.gz LPMHIIYYJAMMJY-GFCCVEGCSA-N 0 0 339.403 1.497 10 0 EDAERN O=C(NC1CN(C(=O)Nc2cccnc2N2CCCC2)C1)C1CC1 ZINC000186772030 236013190 /nfs/dbraw/zinc/01/31/90/236013190.db2.gz OYVQIKGIAYERHY-UHFFFAOYSA-N 0 0 329.404 1.424 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cccc(C)c1 ZINC000155416685 138537059 /nfs/dbraw/zinc/53/70/59/138537059.db2.gz JHRAOBBRMYUMGP-CQSZACIVSA-N 0 0 330.388 1.763 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2coc(Br)c2)n1 ZINC000155463133 138537925 /nfs/dbraw/zinc/53/79/25/138537925.db2.gz OQEPCLBYBLPPHX-SECBINFHSA-N 0 0 342.149 1.947 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1Cl ZINC000187987965 236371624 /nfs/dbraw/zinc/37/16/24/236371624.db2.gz YQESLIFRLKJQOA-UHFFFAOYSA-N 0 0 335.791 1.324 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](Cn2ccnn2)C1)C(C)C ZINC000126927797 138613173 /nfs/dbraw/zinc/61/31/73/138613173.db2.gz QRYXUVRVPNBMFB-RDJZCZTQSA-N 0 0 349.479 1.704 10 0 EDAERN COc1ccc2c(c1)ncnc2NCc1ccc(S(N)(=O)=O)cc1 ZINC000032544452 202227795 /nfs/dbraw/zinc/22/77/95/202227795.db2.gz NTQQYZCOQXQSKX-UHFFFAOYSA-N 0 0 344.396 1.898 10 0 EDAERN C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 ZINC000032699470 202231075 /nfs/dbraw/zinc/23/10/75/202231075.db2.gz MEESXJAGWXWGKH-JTQLQIEISA-N 0 0 329.381 1.629 10 0 EDAERN COC(=O)c1oc(CN2CCCN(c3cccnn3)CC2)cc1C ZINC000171548475 138657710 /nfs/dbraw/zinc/65/77/10/138657710.db2.gz HKFWAERQHYMRSM-UHFFFAOYSA-N 0 0 330.388 1.877 10 0 EDAERN COc1cccc(O[C@@H](C)CNC(=O)NCCn2cc(C)cn2)c1 ZINC000173205086 138669585 /nfs/dbraw/zinc/66/95/85/138669585.db2.gz RIEIJKKPKMGFTF-AWEZNQCLSA-N 0 0 332.404 1.967 10 0 EDAERN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccon2)CC1 ZINC000173935852 138677319 /nfs/dbraw/zinc/67/73/19/138677319.db2.gz ZRZWBUUIQOICBX-OAHLLOKOSA-N 0 0 340.427 1.770 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000176626385 138711264 /nfs/dbraw/zinc/71/12/64/138711264.db2.gz PVMISDVBRZFANJ-KRWDZBQOSA-N 0 0 336.436 1.955 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cccc2ncccc21 ZINC000176750232 138712058 /nfs/dbraw/zinc/71/20/58/138712058.db2.gz BIPXBYLLAJMUQU-ZDUSSCGKSA-N 0 0 329.385 1.640 10 0 EDAERN Cn1ccnc1[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1cccs1 ZINC000069142663 202269976 /nfs/dbraw/zinc/26/99/76/202269976.db2.gz HCWCLCZYQNLOFC-YPMHNXCESA-N 0 0 325.459 1.738 10 0 EDAERN CCOC(=O)[C@](CSCCS(C)(=O)=O)(NC(C)C)C1CC1 ZINC000069191104 202271730 /nfs/dbraw/zinc/27/17/30/202271730.db2.gz XRWSDUKNPCGACF-CQSZACIVSA-N 0 0 337.507 1.474 10 0 EDAERN NC(=O)[C@H]1CCCN(CC(=O)c2ccccc2Br)C1 ZINC000035036837 202285067 /nfs/dbraw/zinc/28/50/67/202285067.db2.gz XLHPSTZPRWMHLB-JTQLQIEISA-N 0 0 325.206 1.829 10 0 EDAERN CCN(Cc1ccc(Br)s1)C(=O)C[NH2+]CC(=O)[O-] ZINC000035384991 202300523 /nfs/dbraw/zinc/30/05/23/202300523.db2.gz KIZMQHAQVPTVSA-UHFFFAOYSA-N 0 0 335.223 1.533 10 0 EDAERN C[C@@H](C1CC1)N(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C ZINC000070085730 202306404 /nfs/dbraw/zinc/30/64/04/202306404.db2.gz QBLBYGVHSRFFOF-ZETCQYMHSA-N 0 0 326.344 1.354 10 0 EDAERN COc1ccccc1[C@@H](CNC(=O)c1ccncc1)N1CCOCC1 ZINC000036092013 202314297 /nfs/dbraw/zinc/31/42/97/202314297.db2.gz IWFSBFOBQUZOGB-QGZVFWFLSA-N 0 0 341.411 1.894 10 0 EDAERN Nc1ccccc1SCCS(=O)(=O)NCc1cscn1 ZINC000070215869 202319075 /nfs/dbraw/zinc/31/90/75/202319075.db2.gz DUZSVEVRVPLUET-UHFFFAOYSA-N 0 0 329.472 1.937 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000070431469 202334970 /nfs/dbraw/zinc/33/49/70/202334970.db2.gz ALWVDOVCQUFOIW-WDEREUQCSA-N 0 0 328.459 1.427 10 0 EDAERN CCC[NH2+][C@H](CCn1cc(I)cn1)C(=O)[O-] ZINC000070678518 202337949 /nfs/dbraw/zinc/33/79/49/202337949.db2.gz YSHPCVMEMFHEED-SECBINFHSA-N 0 0 337.161 1.331 10 0 EDAERN CONS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000070283340 202329028 /nfs/dbraw/zinc/32/90/28/202329028.db2.gz HOKHNRPVAULQAL-UHFFFAOYSA-N 0 0 330.587 1.951 10 0 EDAERN CCC(=O)N1CCCN(S(=O)(=O)c2cnccc2Cl)CC1 ZINC000071204356 202340400 /nfs/dbraw/zinc/34/04/00/202340400.db2.gz ZMUJUUVRGNTYDQ-UHFFFAOYSA-N 0 0 331.825 1.368 10 0 EDAERN Nc1ccncc1S(=O)(=O)NCc1cccc(Br)c1 ZINC000071234760 202342660 /nfs/dbraw/zinc/34/26/60/202342660.db2.gz NFEKLDKASJTPIU-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN CCN(CC)C(=O)[C@@H](C)NC(=O)c1cc(Br)cn1C ZINC000037503597 202343730 /nfs/dbraw/zinc/34/37/30/202343730.db2.gz AZEVOQNZWYEGSZ-SECBINFHSA-N 0 0 330.226 1.774 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N(CC(N)=O)C(C)C ZINC000037895410 202372791 /nfs/dbraw/zinc/37/27/91/202372791.db2.gz SGYQHLQLEQCEFL-UHFFFAOYSA-N 0 0 330.226 1.997 10 0 EDAERN C[C@@](NC[C@@H]1CCCO1)(C(N)=O)c1ccccc1Br ZINC000037950524 202379747 /nfs/dbraw/zinc/37/97/47/202379747.db2.gz WTENRUUAEQWXFJ-HZMBPMFUSA-N 0 0 327.222 1.918 10 0 EDAERN CNS(=O)(=O)CCNC(=O)CCC(C)(C)c1ccc(C)cc1 ZINC000040677929 202458597 /nfs/dbraw/zinc/45/85/97/202458597.db2.gz FIHDLMZTBNQPIB-UHFFFAOYSA-N 0 0 326.462 1.718 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000184350014 138794098 /nfs/dbraw/zinc/79/40/98/138794098.db2.gz OYTOBDAAJPLWJP-KRWDZBQOSA-N 0 0 347.459 1.988 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c(Cl)c1 ZINC000186177808 138813549 /nfs/dbraw/zinc/81/35/49/138813549.db2.gz KBEVTHXSKXZXLY-UHFFFAOYSA-N 0 0 342.848 1.938 10 0 EDAERN C[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)C(=O)N1CCCCC1 ZINC000130456140 223154156 /nfs/dbraw/zinc/15/41/56/223154156.db2.gz LMAKJAGGZXPIDZ-ZDUSSCGKSA-N 0 0 342.403 1.790 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3)CCO2)cn1 ZINC000190519244 238554892 /nfs/dbraw/zinc/55/48/92/238554892.db2.gz DNRDZSCBQJKSLJ-OAHLLOKOSA-N 0 0 346.362 1.581 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(OC(F)F)c1)[C@@H]1CCCO1 ZINC000041917465 202489397 /nfs/dbraw/zinc/48/93/97/202489397.db2.gz BTBGUSTYIXNIQW-SKDRFNHKSA-N 0 0 328.315 1.910 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)N(C)C(C)C)C2)n1 ZINC000116899636 201076604 /nfs/dbraw/zinc/07/66/04/201076604.db2.gz UIUZYINPHKRTPP-AWEZNQCLSA-N 0 0 329.470 1.192 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1ccncc1OC)CC2 ZINC000187178951 138823954 /nfs/dbraw/zinc/82/39/54/138823954.db2.gz APCDXJXMGZRQGX-NWDGAFQWSA-N 0 0 344.419 1.619 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)N[C@H]1CCCCC[C@H]1O ZINC000136019097 201132152 /nfs/dbraw/zinc/13/21/52/201132152.db2.gz FPTCRPVEGLREMH-VHSXEESVSA-N 0 0 333.431 1.507 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc3n[nH]nc3c1)CC2 ZINC000136840272 201134515 /nfs/dbraw/zinc/13/45/15/201134515.db2.gz KELLLGNDWIZQME-NSHDSACASA-N 0 0 325.376 1.418 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(N(C)C)ccn1)CC2 ZINC000137121924 201135950 /nfs/dbraw/zinc/13/59/50/201135950.db2.gz AGKWLKVTBNKPLO-GFCCVEGCSA-N 0 0 328.420 1.607 10 0 EDAERN O=C(NC[C@H]1CCCOC1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000057161998 201139519 /nfs/dbraw/zinc/13/95/19/201139519.db2.gz JFSUJLZCYLMCQF-OCCSQVGLSA-N 0 0 338.429 1.631 10 0 EDAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N[C@H]1COc2ccccc21 ZINC000060731167 201144468 /nfs/dbraw/zinc/14/44/68/201144468.db2.gz SFJRHWNJNMEALW-AWEZNQCLSA-N 0 0 349.350 1.456 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C(N)=O)ccc2C)o1 ZINC000069122058 201165406 /nfs/dbraw/zinc/16/54/06/201165406.db2.gz NPDOLHDWCZLUFF-NSHDSACASA-N 0 0 329.356 1.811 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CC(=O)N(CC(C)C)CC(F)(F)F)C1 ZINC000077170261 201180682 /nfs/dbraw/zinc/18/06/82/201180682.db2.gz BOLHHPFPMLMXGQ-CYBMUJFWSA-N 0 0 337.386 1.634 10 0 EDAERN O=C(NC1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C1)C1CC1 ZINC000187932757 138829980 /nfs/dbraw/zinc/82/99/80/138829980.db2.gz ROMBZPJFEDYDHB-UHFFFAOYSA-N 0 0 346.811 1.519 10 0 EDAERN COC[C@@H](C)NC(=O)CNc1cccc(I)c1 ZINC000042222624 202492710 /nfs/dbraw/zinc/49/27/10/202492710.db2.gz VKDYDRPUTHFEGT-SECBINFHSA-N 0 0 348.184 1.854 10 0 EDAERN O=C(C1CCCC1)N1CC[C@@H](Nc2nn3c(nccc3=O)s2)C1 ZINC000132149922 223305198 /nfs/dbraw/zinc/30/51/98/223305198.db2.gz KXBCOJYUSQNIMN-LLVKDONJSA-N 0 0 333.417 1.354 10 0 EDAERN NC(=S)c1cc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)ccc1F ZINC000162000680 201403223 /nfs/dbraw/zinc/40/32/23/201403223.db2.gz UYEQQYFEMRTDQO-MKCWBWRRSA-N 0 0 330.406 1.058 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CC(NC(=O)C2CCC2)C1)C(C)C ZINC000188470971 138842183 /nfs/dbraw/zinc/84/21/83/138842183.db2.gz FTHNKMKWNKTLQX-MRXNPFEDSA-N 0 0 337.464 1.300 10 0 EDAERN CN(C)C(=O)C1CCN(c2nnc(-n3cccc3C=O)s2)CC1 ZINC000049455299 202622914 /nfs/dbraw/zinc/62/29/14/202622914.db2.gz SJOGIVBBRIKFEL-UHFFFAOYSA-N 0 0 333.417 1.446 10 0 EDAERN Ic1cccc(-n2nnnc2CNC2CC2)c1 ZINC000054744466 202674365 /nfs/dbraw/zinc/67/43/65/202674365.db2.gz KKUCULQGXJJGEK-UHFFFAOYSA-N 0 0 341.156 1.519 10 0 EDAERN NNc1ncc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000162835050 201416653 /nfs/dbraw/zinc/41/66/53/201416653.db2.gz OPNRAEYQPWUUHW-CABZTGNLSA-N 0 0 330.841 1.974 10 0 EDAERN CS(=O)(=O)[C@@H]1CCC[C@H](S(=O)(=O)c2cc(F)ccc2N)C1 ZINC000165920730 201421592 /nfs/dbraw/zinc/42/15/92/201421592.db2.gz MXUYMMGTOOJCFV-MNOVXSKESA-N 0 0 335.422 1.537 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188890332 138854975 /nfs/dbraw/zinc/85/49/75/138854975.db2.gz KKPWCANWDPNOQG-CQSZACIVSA-N 0 0 332.400 1.324 10 0 EDAERN CCOCCCNS(=O)(=O)c1ccc(NC(=O)COCC)cc1 ZINC000059244479 202776134 /nfs/dbraw/zinc/77/61/34/202776134.db2.gz MQKMOXYTAOSBSI-UHFFFAOYSA-N 0 0 344.433 1.367 10 0 EDAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CC[C@H](Oc2cccnc2)C1 ZINC000189433171 138873069 /nfs/dbraw/zinc/87/30/69/138873069.db2.gz BWDYDVFCYDWQFX-DOTOQJQBSA-N 0 0 338.367 1.650 10 0 EDAERN CCNS(=O)(=O)N1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000062221751 202795840 /nfs/dbraw/zinc/79/58/40/202795840.db2.gz HNVSMJRETPSLLM-UHFFFAOYSA-N 0 0 345.896 1.745 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000190669270 138895066 /nfs/dbraw/zinc/89/50/66/138895066.db2.gz PGZMIKISOBDGAV-SECBINFHSA-N 0 0 343.305 1.381 10 0 EDAERN CCn1cc([C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)cn1 ZINC000190769492 138896796 /nfs/dbraw/zinc/89/67/96/138896796.db2.gz RDKQZLNTZHWPFV-HOTGVXAUSA-N 0 0 332.379 1.642 10 0 EDAERN CC(C)NC(=O)[C@@H](NS(=O)(=O)NC1CCCC1)c1ccccc1 ZINC000062438502 202799354 /nfs/dbraw/zinc/79/93/54/202799354.db2.gz XBGSAUAETJKLNP-HNNXBMFYSA-N 0 0 339.461 1.619 10 0 EDAERN COc1cccc(OC)c1S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000191122244 138905474 /nfs/dbraw/zinc/90/54/74/138905474.db2.gz KOCCEYASTDQJNV-UHFFFAOYSA-N 0 0 339.417 1.930 10 0 EDAERN CCCC(=O)Nc1ccc(CNC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000191206196 138907518 /nfs/dbraw/zinc/90/75/18/138907518.db2.gz HHSYRIQDINRHRD-ZDUSSCGKSA-N 0 0 346.431 1.845 10 0 EDAERN COc1ccc(OC)c(NC(=O)C2CN(C(=O)c3cnccn3)C2)c1 ZINC000070808771 203081409 /nfs/dbraw/zinc/08/14/09/203081409.db2.gz HLTVGGFJTFEKBS-UHFFFAOYSA-N 0 0 342.355 1.205 10 0 EDAERN O=C(Nc1cccc2cccnc21)C1CN(C(=O)c2cnccn2)C1 ZINC000070809094 203081967 /nfs/dbraw/zinc/08/19/67/203081967.db2.gz NHBOFIQPTVGJFL-UHFFFAOYSA-N 0 0 333.351 1.736 10 0 EDAERN Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1Br ZINC000071384364 203093306 /nfs/dbraw/zinc/09/33/06/203093306.db2.gz ARZNHYHAANSIBD-UHFFFAOYSA-N 0 0 335.223 1.489 10 0 EDAERN CCc1c(C)nc(-c2cccnc2)nc1N1CC[NH+](CC(=O)[O-])CC1 ZINC000070456643 203077261 /nfs/dbraw/zinc/07/72/61/203077261.db2.gz BRQMBPKHOKTFAG-UHFFFAOYSA-N 0 0 341.415 1.616 10 0 EDAERN CCOC(=O)CCN(CCN1CCOCC1)C(=O)c1ccccc1C ZINC000071607220 203099643 /nfs/dbraw/zinc/09/96/43/203099643.db2.gz YARZRXFKCCFQOB-UHFFFAOYSA-N 0 0 348.443 1.723 10 0 EDAERN COC(=O)CCN(CCc1ccc(OC)cc1)C(=O)[C@@H]1CCCO1 ZINC000071605333 203099725 /nfs/dbraw/zinc/09/97/25/203099725.db2.gz CMXKLLMRXLRJTC-INIZCTEOSA-N 0 0 335.400 1.808 10 0 EDAERN CCOC(=O)CCN(CCNC(C)=O)C(=O)c1cccc(OC)c1 ZINC000071610282 203101335 /nfs/dbraw/zinc/10/13/35/203101335.db2.gz VUVKBMDCQQIDSR-UHFFFAOYSA-N 0 0 336.388 1.227 10 0 EDAERN CCOC(=O)CCN(CCCO)C(=O)COc1cccc(OC)c1 ZINC000071626943 203101480 /nfs/dbraw/zinc/10/14/80/203101480.db2.gz FNGGMDDSTOZEGH-UHFFFAOYSA-N 0 0 339.388 1.238 10 0 EDAERN C[NH+](C)CCNS(=O)(=O)c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000071709492 203103394 /nfs/dbraw/zinc/10/33/94/203103394.db2.gz ZHZRXUUEGYZRFC-UHFFFAOYSA-N 0 0 348.424 1.892 10 0 EDAERN CN(C(=O)Cc1ccc2cccc(N)c2n1)[C@H]1CCS(=O)(=O)C1 ZINC000071698695 203103677 /nfs/dbraw/zinc/10/36/77/203103677.db2.gz RGFFSDRBMMEBMG-ZDUSSCGKSA-N 0 0 333.413 1.005 10 0 EDAERN Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000072428648 203223351 /nfs/dbraw/zinc/22/33/51/203223351.db2.gz IYBRZYROCMNMLB-UHFFFAOYSA-N 0 0 338.379 1.696 10 0 EDAERN CC(C)NC(=O)C(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000073102430 203256539 /nfs/dbraw/zinc/25/65/39/203256539.db2.gz XMDLHJSGRHLMIY-UHFFFAOYSA-N 0 0 340.427 1.404 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000074773760 203293651 /nfs/dbraw/zinc/29/36/51/203293651.db2.gz KPGGJPICXKXTIF-AWEZNQCLSA-N 0 0 326.462 1.593 10 0 EDAERN O=C(NCCc1cc(Br)ccc1F)C1=NNC(=O)CC1 ZINC000075016435 203299036 /nfs/dbraw/zinc/29/90/36/203299036.db2.gz POUZRDIXRHVTGH-UHFFFAOYSA-N 0 0 342.168 1.513 10 0 EDAERN CN(C)S(=O)(=O)c1ccccc1-n1cc(Br)c(N)n1 ZINC000040517065 203299103 /nfs/dbraw/zinc/29/91/03/203299103.db2.gz ZEBIMGBDFLPVCY-UHFFFAOYSA-N 0 0 345.222 1.467 10 0 EDAERN CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1Cl ZINC000076098009 203338195 /nfs/dbraw/zinc/33/81/95/203338195.db2.gz JHPSHQAQMRDCCN-RNCFNFMXSA-N 0 0 337.807 1.943 10 0 EDAERN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076099928 203339127 /nfs/dbraw/zinc/33/91/27/203339127.db2.gz XYYOHJKNFPEWBV-JOYOIKCWSA-N 0 0 337.807 1.941 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000076097945 203339243 /nfs/dbraw/zinc/33/92/43/203339243.db2.gz PVWJJADSQINFEL-XJKSGUPXSA-N 0 0 331.416 1.024 10 0 EDAERN COc1ccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)cc1OC ZINC000081163382 203473855 /nfs/dbraw/zinc/47/38/55/203473855.db2.gz QWPQJQAVHQSPRO-ZDUSSCGKSA-N 0 0 345.403 1.938 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083754884 203519650 /nfs/dbraw/zinc/51/96/50/203519650.db2.gz DPJBKIIFUJCIOC-CQSZACIVSA-N 0 0 343.387 1.575 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(=O)c1ccco1 ZINC000088198561 203561203 /nfs/dbraw/zinc/56/12/03/203561203.db2.gz BHTFYNQBBMTEOX-NSHDSACASA-N 0 0 331.376 1.205 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(N)=S)cc1 ZINC000088296804 203563230 /nfs/dbraw/zinc/56/32/30/203563230.db2.gz BKMWERKRBHFICZ-LBPRGKRZSA-N 0 0 329.429 1.740 10 0 EDAERN C[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)c1ccc(Br)s1 ZINC000091778766 203651984 /nfs/dbraw/zinc/65/19/84/203651984.db2.gz MGWYPNYXXLJLMG-HTQZYQBOSA-N 0 0 347.234 1.327 10 0 EDAERN CCOC(=O)c1oc2ccccc2c1CN1CCOC[C@H]1C(N)=O ZINC000092421392 203672558 /nfs/dbraw/zinc/67/25/58/203672558.db2.gz QTXZJGMYYBWTOJ-ZDUSSCGKSA-N 0 0 332.356 1.296 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n(C)n1 ZINC000093223393 203691855 /nfs/dbraw/zinc/69/18/55/203691855.db2.gz FPVMLGIKTJCXHY-ACJLOTCBSA-N 0 0 348.447 1.465 10 0 EDAERN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)Cc2cccs2)cn1 ZINC000096092090 203832737 /nfs/dbraw/zinc/83/27/37/203832737.db2.gz SFGHUOMTPZWNMU-KGLIPLIRSA-N 0 0 330.413 1.431 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H]2Cc2ccncc2)cc1 ZINC000096200288 203861666 /nfs/dbraw/zinc/86/16/66/203861666.db2.gz QTUKKBZJVQMRRZ-DLBZAZTESA-N 0 0 348.424 1.457 10 0 EDAERN CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(=O)[nH]c1 ZINC000040829562 203913683 /nfs/dbraw/zinc/91/36/83/203913683.db2.gz JSPIIYRNVQQRQI-UHFFFAOYSA-N 0 0 327.793 1.895 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCn1ccnc1 ZINC000041118954 204004901 /nfs/dbraw/zinc/00/49/01/204004901.db2.gz JCZUKTGHUMYIOJ-UHFFFAOYSA-N 0 0 335.216 1.751 10 0 EDAERN COC(=O)[C@H](C)CNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000101895268 204025664 /nfs/dbraw/zinc/02/56/64/204025664.db2.gz GYUJYUSLJYDCNI-UKRRQHHQSA-N 0 0 334.416 1.675 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C(=O)N(CC)CC)C1 ZINC000151771627 204072370 /nfs/dbraw/zinc/07/23/70/204072370.db2.gz LFCHASPPYYKNRP-KGLIPLIRSA-N 0 0 338.452 1.040 10 0 EDAERN COC[C@@H](C)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000103362612 204075506 /nfs/dbraw/zinc/07/55/06/204075506.db2.gz DXMHFEYOLPWWBN-CYBMUJFWSA-N 0 0 342.461 1.413 10 0 EDAERN C[C@@H](COc1ccc(F)cc1F)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104791908 204120561 /nfs/dbraw/zinc/12/05/61/204120561.db2.gz GWOSCACBOONZEM-WCQYABFASA-N 0 0 343.374 1.362 10 0 EDAERN CCC(CC)N(CCO)S(=O)(=O)c1cccc2nsnc21 ZINC000042516072 204103404 /nfs/dbraw/zinc/10/34/04/204103404.db2.gz JLOWHXPZBRUTSQ-UHFFFAOYSA-N 0 0 329.447 1.863 10 0 EDAERN COCCN1CCN(Cc2nc(Cc3ccccc3)no2)C[C@H]1C ZINC000105833763 204169660 /nfs/dbraw/zinc/16/96/60/204169660.db2.gz IBBOSNHXYAHFLQ-OAHLLOKOSA-N 0 0 330.432 1.813 10 0 EDAERN O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCC[C@@H](n2cncn2)C1 ZINC000105854370 204170800 /nfs/dbraw/zinc/17/08/00/204170800.db2.gz NFEZMXNHSNFYSW-GDBMZVCRSA-N 0 0 343.362 1.774 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CCCN3C(=O)CN(C)C3=O)C2)c1 ZINC000105858149 204171464 /nfs/dbraw/zinc/17/14/64/204171464.db2.gz ZUFOADDAJGCHDM-AWEZNQCLSA-N 0 0 347.419 1.029 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3cccc(C)c3)CCO2)c1 ZINC000105891479 204175739 /nfs/dbraw/zinc/17/57/39/204175739.db2.gz JZLZDNMCPSIOHF-QGZVFWFLSA-N 0 0 328.416 1.839 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C[C@H](O)c3cc(F)ccc3F)CCO2)c1 ZINC000105892616 204176180 /nfs/dbraw/zinc/17/61/80/204176180.db2.gz QUIWHHVFFCGEOI-YOEHRIQHSA-N 0 0 337.370 1.904 10 0 EDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1cccc(Cl)c1 ZINC000105888560 204176364 /nfs/dbraw/zinc/17/63/64/204176364.db2.gz FURODAVKQBGDEO-INIZCTEOSA-N 0 0 348.834 1.554 10 0 EDAERN Cn1cccc1C(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145124 204188238 /nfs/dbraw/zinc/18/82/38/204188238.db2.gz VXIQGPSEEUOFMV-UHFFFAOYSA-N 0 0 343.475 1.977 10 0 EDAERN CCn1cnnc1C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000106368343 204191859 /nfs/dbraw/zinc/19/18/59/204191859.db2.gz CWQXBUWUYWXPOT-UHFFFAOYSA-N 0 0 339.421 1.471 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1 ZINC000106397443 204192730 /nfs/dbraw/zinc/19/27/30/204192730.db2.gz RQPBGQOJWOZWRQ-WBVHZDCISA-N 0 0 349.406 1.234 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 ZINC000106394077 204193027 /nfs/dbraw/zinc/19/30/27/204193027.db2.gz IFPFKIQBAQONNL-HNNXBMFYSA-N 0 0 329.400 1.870 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@H](NC(=O)OC)C(C)C)C1 ZINC000108278578 204257202 /nfs/dbraw/zinc/25/72/02/204257202.db2.gz DHQPOWFXJNFBIH-DZGCQCFKSA-N 0 0 336.436 1.990 10 0 EDAERN Cn1cc([C@H]2CCCN2c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cn1 ZINC000108946089 204274492 /nfs/dbraw/zinc/27/44/92/204274492.db2.gz IFSGXNHAOQUBPM-CYBMUJFWSA-N 0 0 341.419 1.950 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CCO[C@H](c2nccs2)C1 ZINC000110873343 204324650 /nfs/dbraw/zinc/32/46/50/204324650.db2.gz XFOXQGUDTWGIAP-ZDUSSCGKSA-N 0 0 345.428 1.747 10 0 EDAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111079348 204334562 /nfs/dbraw/zinc/33/45/62/204334562.db2.gz RYBLEPILRTZWBX-OAHLLOKOSA-N 0 0 338.371 1.005 10 0 EDAERN COc1ccc(CC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1F ZINC000111081982 204335193 /nfs/dbraw/zinc/33/51/93/204335193.db2.gz OUFDZONLAMRAMS-CQSZACIVSA-N 0 0 333.363 1.501 10 0 EDAERN COc1ccc(CCC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1F ZINC000111078046 204335280 /nfs/dbraw/zinc/33/52/80/204335280.db2.gz XSHRQQNHMWCKDL-OAHLLOKOSA-N 0 0 347.390 1.891 10 0 EDAERN CCCc1ccc(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111359883 204352509 /nfs/dbraw/zinc/35/25/09/204352509.db2.gz PKPMMFZLAQHJDY-MRXNPFEDSA-N 0 0 349.456 1.925 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCCN3CCCC3=O)C2)c1 ZINC000111787910 204372191 /nfs/dbraw/zinc/37/21/91/204372191.db2.gz VWRJIZBGFPLNIE-OAHLLOKOSA-N 0 0 333.436 1.551 10 0 EDAERN COC[C@@H](C)NC(=O)COc1c(Br)cccc1CO ZINC000049291493 204373439 /nfs/dbraw/zinc/37/34/39/204373439.db2.gz FGDGKDHHCRUNNW-SECBINFHSA-N 0 0 332.194 1.471 10 0 EDAERN O=C1[C@H](N2CCC(Nc3cccnn3)CC2)CCN1CC(F)(F)F ZINC000111227419 204341625 /nfs/dbraw/zinc/34/16/25/204341625.db2.gz BPICNCMCXUPPFJ-GFCCVEGCSA-N 0 0 343.353 1.516 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCCc3cccnc3)CCO2)c1 ZINC000112106497 204383094 /nfs/dbraw/zinc/38/30/94/204383094.db2.gz SHOGRFLXVCFREB-MRXNPFEDSA-N 0 0 329.404 1.240 10 0 EDAERN CCc1nnc(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C ZINC000195063858 139006149 /nfs/dbraw/zinc/00/61/49/139006149.db2.gz YKNLQTUAHPMWCI-LBPRGKRZSA-N 0 0 332.404 1.444 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000113211997 204435476 /nfs/dbraw/zinc/43/54/76/204435476.db2.gz VORXWRRJJMGEGH-GFCCVEGCSA-N 0 0 335.404 1.163 10 0 EDAERN CC(C)Cc1ccc([C@H](C)NC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000113403409 204442939 /nfs/dbraw/zinc/44/29/39/204442939.db2.gz ULGIQDFSBXFNII-ZDUSSCGKSA-N 0 0 346.431 1.797 10 0 EDAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113896653 204458975 /nfs/dbraw/zinc/45/89/75/204458975.db2.gz OQVVMHPYQWBFER-OAHLLOKOSA-N 0 0 337.387 1.817 10 0 EDAERN C[C@@H](CNC(=O)N1CCO[C@H](Cn2cccn2)C1)Oc1ccccc1 ZINC000114032928 204462350 /nfs/dbraw/zinc/46/23/50/204462350.db2.gz UOGHSFQJUOOSOQ-RDJZCZTQSA-N 0 0 344.415 1.761 10 0 EDAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195505921 139018418 /nfs/dbraw/zinc/01/84/18/139018418.db2.gz FLQBYEVAWSZYSQ-OAHLLOKOSA-N 0 0 336.436 1.293 10 0 EDAERN O=C(CN1CCO[C@@H](c2nccs2)C1)NCc1ccccc1F ZINC000195521491 139019895 /nfs/dbraw/zinc/01/98/95/139019895.db2.gz VTALGEUSYWVVSK-CQSZACIVSA-N 0 0 335.404 1.972 10 0 EDAERN O=S(=O)(Cc1cccc2cccnc21)N[C@H]1CCc2ncnn2C1 ZINC000117923137 204579346 /nfs/dbraw/zinc/57/93/46/204579346.db2.gz RISIXPKIJCLFAE-AWEZNQCLSA-N 0 0 343.412 1.261 10 0 EDAERN COC(=O)[C@H](c1ccccc1)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000117880223 204579948 /nfs/dbraw/zinc/57/99/48/204579948.db2.gz FCMMQPQPHQSMIF-CJNGLKHVSA-N 0 0 344.415 1.971 10 0 EDAERN Cc1ccc(N)c(C)c1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050350908 204594243 /nfs/dbraw/zinc/59/42/43/204594243.db2.gz HNYFEUOCPBUQFX-UHFFFAOYSA-N 0 0 332.447 1.205 10 0 EDAERN CN(C)C(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000118804552 204610244 /nfs/dbraw/zinc/61/02/44/204610244.db2.gz ZDDSNSJLQGNNCV-OAHLLOKOSA-N 0 0 346.431 1.402 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000120537186 204741642 /nfs/dbraw/zinc/74/16/42/204741642.db2.gz WLNJDWOHBSWQMS-CVEARBPZSA-N 0 0 348.443 1.963 10 0 EDAERN CNc1ncc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cn1 ZINC000050670500 204843602 /nfs/dbraw/zinc/84/36/02/204843602.db2.gz ONHCGLBNKFIEAX-UHFFFAOYSA-N 0 0 326.809 1.992 10 0 EDAERN COc1ccc([C@@H](CCO)NC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000123049334 204900193 /nfs/dbraw/zinc/90/01/93/204900193.db2.gz MAXVBUGXAURLTF-HUUCEWRRSA-N 0 0 345.403 1.545 10 0 EDAERN CCc1nc(C2(NC(=O)CNC(=O)c3cccnc3)CCCC2)no1 ZINC000123590317 204925851 /nfs/dbraw/zinc/92/58/51/204925851.db2.gz HOOXPDLIXMDSOA-UHFFFAOYSA-N 0 0 343.387 1.343 10 0 EDAERN COc1ccc(-c2cc(C(=O)N[C@@H]3CCCn4ncnc43)[nH]n2)cc1 ZINC000125109501 204994175 /nfs/dbraw/zinc/99/41/75/204994175.db2.gz BZJNJVDYKIZUFM-CYBMUJFWSA-N 0 0 338.371 1.942 10 0 EDAERN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C[C@H](O)C(C)C ZINC000126781471 205072735 /nfs/dbraw/zinc/07/27/35/205072735.db2.gz DPIYTVLVWGEOJY-HIFRSBDPSA-N 0 0 327.446 1.762 10 0 EDAERN O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126850269 205074521 /nfs/dbraw/zinc/07/45/21/205074521.db2.gz RMVBPMZOFULKGJ-CQSZACIVSA-N 0 0 337.387 1.411 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CCCCCC1 ZINC000157085576 205159611 /nfs/dbraw/zinc/15/96/11/205159611.db2.gz HOUMXTUACMJQNV-GFCCVEGCSA-N 0 0 327.454 1.386 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cnc1Cl ZINC000129453036 205197394 /nfs/dbraw/zinc/19/73/94/205197394.db2.gz PGKJSNWCPUHVGZ-NSHDSACASA-N 0 0 347.806 1.732 10 0 EDAERN Cc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)ccc1C(=O)N(C)C ZINC000132482852 205327563 /nfs/dbraw/zinc/32/75/63/205327563.db2.gz PDOVZQMGRJQYAL-CYBMUJFWSA-N 0 0 342.403 1.425 10 0 EDAERN C[S@@](=O)CCNc1cnn(CC2CC2)c(=O)c1Br ZINC000158653982 205356872 /nfs/dbraw/zinc/35/68/72/205356872.db2.gz DLCDZCYECVQMHE-SFHVURJKSA-N 0 0 334.239 1.206 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000158563535 205345858 /nfs/dbraw/zinc/34/58/58/205345858.db2.gz JECXVHZKISMYRP-LSDHHAIUSA-N 0 0 344.415 1.102 10 0 EDAERN COCCn1c(CO)nnc1-c1ccc(F)cc1Br ZINC000136212066 205495628 /nfs/dbraw/zinc/49/56/28/205495628.db2.gz UDJMDZUGBZXXBK-UHFFFAOYSA-N 0 0 330.157 1.985 10 0 EDAERN CN(C(=O)C(=O)Nc1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000136361252 205501688 /nfs/dbraw/zinc/50/16/88/205501688.db2.gz VGJVIKGYPNWIJY-HNNXBMFYSA-N 0 0 339.399 1.543 10 0 EDAERN Nc1cc2oc(=O)[nH]c2cc1-n1cc(I)cn1 ZINC000137386459 205531155 /nfs/dbraw/zinc/53/11/55/205531155.db2.gz RWTDPBVOZJLEKA-UHFFFAOYSA-N 0 0 342.096 1.494 10 0 EDAERN Cc1nc(-c2ccc(CCNC(=O)[C@@H]3COCCN3)cc2)cs1 ZINC000237801799 139060760 /nfs/dbraw/zinc/06/07/60/139060760.db2.gz KOMDJOORRAERLX-HNNXBMFYSA-N 0 0 331.441 1.766 10 0 EDAERN O=S1(=O)CC[C@@H](C[C@@H](O)Cc2cncc(Br)c2)C1 ZINC000139943072 205551922 /nfs/dbraw/zinc/55/19/22/205551922.db2.gz IZDWHTCTQRHJAC-JOYOIKCWSA-N 0 0 334.235 1.572 10 0 EDAERN COCCc1noc(CN(C)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000151032950 205605401 /nfs/dbraw/zinc/60/54/01/205605401.db2.gz PYEMWCZLVFOELS-UONOGXRCSA-N 0 0 346.431 1.956 10 0 EDAERN CCCCOCCNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000111843842 220205031 /nfs/dbraw/zinc/20/50/31/220205031.db2.gz HZJJHXWGVIKPMK-ZDUSSCGKSA-N 0 0 339.440 1.583 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000151274186 205627995 /nfs/dbraw/zinc/62/79/95/205627995.db2.gz MXBDKBIKOYQFRI-ZDUSSCGKSA-N 0 0 348.428 1.509 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)CCCC(=O)NC(C)C)CCO2)c1 ZINC000112117600 220245379 /nfs/dbraw/zinc/24/53/79/220245379.db2.gz PKRVDAYSCCYXHI-HNNXBMFYSA-N 0 0 336.436 1.114 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C(C)=O)cn1C ZINC000155429043 206005796 /nfs/dbraw/zinc/00/57/96/206005796.db2.gz TYQKSVGQQALZNA-LBPRGKRZSA-N 0 0 331.376 1.231 10 0 EDAERN CCCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000155903733 206043360 /nfs/dbraw/zinc/04/33/60/206043360.db2.gz MJJRGDYUBYGCGS-OAHLLOKOSA-N 0 0 346.431 1.246 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[S@@](C)=O ZINC000156150710 206057662 /nfs/dbraw/zinc/05/76/62/206057662.db2.gz MYHWANVHEJYUCB-PWJLMRLQSA-N 0 0 340.264 1.494 10 0 EDAERN C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)[S@](C)=O ZINC000156150591 206058772 /nfs/dbraw/zinc/05/87/72/206058772.db2.gz MYHWANVHEJYUCB-VPTHRUTESA-N 0 0 340.264 1.494 10 0 EDAERN Cn1cc(N2CC[C@H](NC(=O)[C@H]3C[C@@H]3C3CCCCC3)C2=O)cn1 ZINC000156444764 206078846 /nfs/dbraw/zinc/07/88/46/206078846.db2.gz DKOVRIVIBHDLCH-PMPSAXMXSA-N 0 0 330.432 1.858 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000156517035 206083688 /nfs/dbraw/zinc/08/36/88/206083688.db2.gz IJVMLTIYRFHWRM-LBPRGKRZSA-N 0 0 338.795 1.199 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CCS1 ZINC000156586556 206086552 /nfs/dbraw/zinc/08/65/52/206086552.db2.gz DOQNVWWKXQSYGL-QMMMGPOBSA-N 0 0 336.339 1.348 10 0 EDAERN CN[C@H](c1cnnn1C)c1ccccc1I ZINC000157048014 206113012 /nfs/dbraw/zinc/11/30/12/206113012.db2.gz PZNUKSNIOPZEKK-NSHDSACASA-N 0 0 328.157 1.729 10 0 EDAERN CCCn1c(C)nnc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000156989439 206111039 /nfs/dbraw/zinc/11/10/39/206111039.db2.gz DSPGAZSVTWZPJX-GOSISDBHSA-N 0 0 343.475 1.848 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000157429673 206134562 /nfs/dbraw/zinc/13/45/62/206134562.db2.gz WVGIXMYKPSWRDU-HZPDHXFCSA-N 0 0 334.416 1.827 10 0 EDAERN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)nn1 ZINC000157729826 206153521 /nfs/dbraw/zinc/15/35/21/206153521.db2.gz GNXBVDBGFFFPJM-AWEZNQCLSA-N 0 0 345.378 1.313 10 0 EDAERN Cc1cc(Oc2nc(N)nc(-n3cncn3)n2)ccc1Br ZINC000161747280 206148565 /nfs/dbraw/zinc/14/85/65/206148565.db2.gz PTWBWNLTSTVHLR-UHFFFAOYSA-N 0 0 348.164 1.898 10 0 EDAERN CC(=O)NCCCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000158555860 206198153 /nfs/dbraw/zinc/19/81/53/206198153.db2.gz TXYBNQXAGRSYQE-ZDUSSCGKSA-N 0 0 331.338 1.985 10 0 EDAERN Cc1csc([C@H]2CN([C@H](C)c3nc(N)nc(N(C)C)n3)CCO2)n1 ZINC000246071279 139093880 /nfs/dbraw/zinc/09/38/80/139093880.db2.gz BYUHMTLCPDEYHG-GHMZBOCLSA-N 0 0 349.464 1.419 10 0 EDAERN C[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1cccc2ccccc21 ZINC000246206672 139099312 /nfs/dbraw/zinc/09/93/12/139099312.db2.gz MFBKMQIHZVYEOG-GUYCJALGSA-N 0 0 341.411 1.203 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246286133 139102548 /nfs/dbraw/zinc/10/25/48/139102548.db2.gz BYSMFZSDPCXAEU-MLGOLLRUSA-N 0 0 331.416 1.673 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C1CCOCC1 ZINC000246379420 139106196 /nfs/dbraw/zinc/10/61/96/139106196.db2.gz NDBPWVLYUQXHSC-TZMCWYRMSA-N 0 0 332.466 1.122 10 0 EDAERN C[C@H]1CN(Cc2nc(Cc3ccccc3)no2)C[C@H]1N1CCOCC1 ZINC000246431835 139108172 /nfs/dbraw/zinc/10/81/72/139108172.db2.gz LKKVJFHYRUHANH-DOTOQJQBSA-N 0 0 342.443 1.813 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)s1 ZINC000246507516 139111280 /nfs/dbraw/zinc/11/12/80/139111280.db2.gz NNSUOCQCUHMHCB-GWCFXTLKSA-N 0 0 345.490 1.101 10 0 EDAERN COC(=O)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246625903 139115684 /nfs/dbraw/zinc/11/56/84/139115684.db2.gz UROIEIPAXVUSQW-XPKDYRNWSA-N 0 0 332.400 1.521 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)c2ccc(=O)[nH]n2)c2cccs2)CCO1 ZINC000246777330 139121148 /nfs/dbraw/zinc/12/11/48/139121148.db2.gz IVPFMWJJOHWYSV-DGCLKSJQSA-N 0 0 348.428 1.023 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1C ZINC000246834466 139123685 /nfs/dbraw/zinc/12/36/85/139123685.db2.gz UBOGHCRUXKSHKP-NEPJUHHUSA-N 0 0 328.815 1.935 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000247101914 139135445 /nfs/dbraw/zinc/13/54/45/139135445.db2.gz VCNPVDWGPFKCJJ-UTUOFQBUSA-N 0 0 338.354 1.954 10 0 EDAERN CCCn1ncc(Br)c1[C@H](NN)c1snnc1C ZINC000161444732 206348755 /nfs/dbraw/zinc/34/87/55/206348755.db2.gz BTWHNJPBSLENJA-QMMMGPOBSA-N 0 0 331.243 1.768 10 0 EDAERN Cc1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1Br ZINC000161677772 206362718 /nfs/dbraw/zinc/36/27/18/206362718.db2.gz SCFCZVWVFSTDKK-NSHDSACASA-N 0 0 327.222 1.818 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)c3cccnc3)C2)c1 ZINC000164354274 206491718 /nfs/dbraw/zinc/49/17/18/206491718.db2.gz LXGCFKJESZVJIH-HNNXBMFYSA-N 0 0 327.388 1.180 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3c(C)cccc3C)CCO2)[nH]1 ZINC000247220085 139141083 /nfs/dbraw/zinc/14/10/83/139141083.db2.gz VXKXBKSLPZMCCB-JKSUJKDBSA-N 0 0 346.431 1.543 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1C ZINC000247438393 139148693 /nfs/dbraw/zinc/14/86/93/139148693.db2.gz ZMXBTKMVYRMVAA-SJORKVTESA-N 0 0 327.513 1.922 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@@H](CC)C1 ZINC000247413027 139148096 /nfs/dbraw/zinc/14/80/96/139148096.db2.gz CRFSSDFVPOVDFS-MELADBBJSA-N 0 0 332.466 1.217 10 0 EDAERN COCCn1ncc(Br)c1[C@H](CC(F)(F)F)NN ZINC000167901635 206542529 /nfs/dbraw/zinc/54/25/29/206542529.db2.gz ASRZWSGYXWKKCW-ZETCQYMHSA-N 0 0 331.136 1.749 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000171194428 206670464 /nfs/dbraw/zinc/67/04/64/206670464.db2.gz INTMFMLNPKRMPW-GJZGRUSLSA-N 0 0 330.384 1.673 10 0 EDAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249524818 139194821 /nfs/dbraw/zinc/19/48/21/139194821.db2.gz XRPARCVUZRYWOW-NILFDRSVSA-N 0 0 348.424 1.694 10 0 EDAERN CCOCCO[C@H](C)C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249495061 139194182 /nfs/dbraw/zinc/19/41/82/139194182.db2.gz GJJSOTHIIZMSLX-BPLDGKMQSA-N 0 0 327.446 1.724 10 0 EDAERN CC(=O)N[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000249686150 139196867 /nfs/dbraw/zinc/19/68/67/139196867.db2.gz OEWOVZBYVCCFLG-PKOBYXMFSA-N 0 0 329.444 1.854 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C[C@@H](C)O1 ZINC000249746475 139198152 /nfs/dbraw/zinc/19/81/52/139198152.db2.gz MTFUJRRDAPIABZ-UMVBOHGHSA-N 0 0 336.457 1.917 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(N)nc(Cl)c2)C1 ZINC000171816672 206753744 /nfs/dbraw/zinc/75/37/44/206753744.db2.gz AXFNKKQUGFVRHP-SNVBAGLBSA-N 0 0 334.811 1.948 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H](C)Oc1cccnc1)CC2 ZINC000172067289 206784171 /nfs/dbraw/zinc/78/41/71/206784171.db2.gz DTUVWKWQJFKJRY-STQMWFEESA-N 0 0 329.404 1.695 10 0 EDAERN COCC[S@](=O)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000172144371 206794322 /nfs/dbraw/zinc/79/43/22/206794322.db2.gz PETFEMXOLDAPER-RPNIEQJPSA-N 0 0 338.429 1.045 10 0 EDAERN C[S@](=O)CCCNC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000173270101 206909848 /nfs/dbraw/zinc/90/98/48/206909848.db2.gz LAWLCWDBJPQKNH-ZSDNHXBWSA-N 0 0 332.466 1.565 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3coc(-c4ccccc4)n3)CCO2)[nH]1 ZINC000173519452 206934504 /nfs/dbraw/zinc/93/45/04/206934504.db2.gz MOLRXIAHQSANEG-AWEZNQCLSA-N 0 0 339.355 1.982 10 0 EDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)CCC(C)C)C2=O)n(C)n1 ZINC000174043337 206983004 /nfs/dbraw/zinc/98/30/04/206983004.db2.gz XYSPCFCPICBWAW-ZDUSSCGKSA-N 0 0 342.465 1.189 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCC(F)F)C(C)C)c1 ZINC000174567143 207031785 /nfs/dbraw/zinc/03/17/85/207031785.db2.gz UMRXEPAAWBIRSF-CQSZACIVSA-N 0 0 344.358 1.840 10 0 EDAERN CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000174815670 207061079 /nfs/dbraw/zinc/06/10/79/207061079.db2.gz KZAQFNGIPDUMDH-NSHDSACASA-N 0 0 344.444 1.721 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3ccco3)C2=O)n(C)n1 ZINC000174980022 207078505 /nfs/dbraw/zinc/07/85/05/207078505.db2.gz SIMBACQDAKCLFZ-HSBSLETESA-N 0 0 328.372 1.647 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000175421601 207125394 /nfs/dbraw/zinc/12/53/94/207125394.db2.gz JRVAUUZREGSWLX-AWEZNQCLSA-N 0 0 342.399 1.668 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccc2c(c1)OCO2 ZINC000175636221 207143241 /nfs/dbraw/zinc/14/32/41/207143241.db2.gz JBACPBHTZXSISK-CYBMUJFWSA-N 0 0 343.387 1.692 10 0 EDAERN C[C@H](CC(=O)N[C@H]1CCCn2ncnc21)NC(=O)c1ccccc1 ZINC000175710576 207152073 /nfs/dbraw/zinc/15/20/73/207152073.db2.gz ARBLSEJSVZPUTA-OCCSQVGLSA-N 0 0 327.388 1.438 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000175753881 207156900 /nfs/dbraw/zinc/15/69/00/207156900.db2.gz DCHFPBWJQSIJPG-GFCCVEGCSA-N 0 0 345.403 1.529 10 0 EDAERN O=C(Nc1ccc(-n2ccnn2)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000175952455 207177244 /nfs/dbraw/zinc/17/72/44/207177244.db2.gz GXIFBOHOVHDKOX-OAHLLOKOSA-N 0 0 338.375 1.728 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](n3cncn3)C1)CO2 ZINC000176279994 207211582 /nfs/dbraw/zinc/21/15/82/207211582.db2.gz SBXUZNFWPPHCBG-HNNXBMFYSA-N 0 0 340.383 1.926 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cnn(-c2ccccc2)c1 ZINC000176746042 207256365 /nfs/dbraw/zinc/25/63/65/207256365.db2.gz FGDCGLSJBUJJSW-CQSZACIVSA-N 0 0 344.400 1.277 10 0 EDAERN Cc1ccccc1CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177233501 207310967 /nfs/dbraw/zinc/31/09/67/207310967.db2.gz CHWOPURZUGNECQ-SJLPKXTDSA-N 0 0 331.460 1.900 10 0 EDAERN CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177354591 207325832 /nfs/dbraw/zinc/32/58/32/207325832.db2.gz YIGXVAFJAZTROJ-AWEZNQCLSA-N 0 0 342.403 1.362 10 0 EDAERN COc1ccccc1O[C@@H](C)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177359016 207327140 /nfs/dbraw/zinc/32/71/40/207327140.db2.gz GRIQCNKFPLPQEQ-QWHCGFSZSA-N 0 0 345.403 1.888 10 0 EDAERN O=C(Nc1ccc(F)cc1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177630355 207366274 /nfs/dbraw/zinc/36/62/74/207366274.db2.gz PXVXOZKZGQREJJ-SECBINFHSA-N 0 0 337.742 1.140 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000177652228 207369265 /nfs/dbraw/zinc/36/92/65/207369265.db2.gz RIZNJPLWNNLFJS-INIZCTEOSA-N 0 0 342.399 1.366 10 0 EDAERN O=S(=O)(Cc1csc(-c2ccccc2F)n1)C[C@@H](O)CO ZINC000177672271 207373664 /nfs/dbraw/zinc/37/36/64/207373664.db2.gz IAFNGXDZHMLQHN-JTQLQIEISA-N 0 0 331.390 1.217 10 0 EDAERN CCn1c(C)nnc1CSc1nnc(-c2n[nH]c3c2CCC3)n1N ZINC000178316181 207470416 /nfs/dbraw/zinc/47/04/16/207470416.db2.gz URZNEMPUJPYMOT-UHFFFAOYSA-N 0 0 345.436 1.083 10 0 EDAERN C[C@H](NC(=O)NCC1(C2CC2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000179015331 207564316 /nfs/dbraw/zinc/56/43/16/207564316.db2.gz SHYAGXKXZZSBBC-NSHDSACASA-N 0 0 337.445 1.884 10 0 EDAERN CSc1ccc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000177247840 532979693 /nfs/dbraw/zinc/97/96/93/532979693.db2.gz XJYNKDIFANQHLC-YOEHRIQHSA-N 0 0 349.500 2.000 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000181244257 207905731 /nfs/dbraw/zinc/90/57/31/207905731.db2.gz HUWHYHBPWJVRDX-MRXNPFEDSA-N 0 0 344.419 1.188 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCc1cccc(O)c1)CC2 ZINC000181550501 207955737 /nfs/dbraw/zinc/95/57/37/207955737.db2.gz UXDZXANPHWWSQG-CQSZACIVSA-N 0 0 343.431 1.964 10 0 EDAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)/C=C\c1cncc(O)c1 ZINC000492443654 255176811 /nfs/dbraw/zinc/17/68/11/255176811.db2.gz PWPYECMXIRMMOL-JTHGQSKGSA-N 0 0 342.395 1.837 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ncoc1[C@H]1CCCO1)CC2 ZINC000115387354 220841635 /nfs/dbraw/zinc/84/16/35/220841635.db2.gz UIGJQPNYUGGDDS-GHMZBOCLSA-N 0 0 331.376 1.425 10 0 EDAERN O=C1NCCc2ccc(S(=O)(=O)N[C@@H]3COc4ccccc43)cc21 ZINC000116336163 220953959 /nfs/dbraw/zinc/95/39/59/220953959.db2.gz GQNYVTUJPRCSCD-OAHLLOKOSA-N 0 0 344.392 1.385 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccccc2Cl)C[C@H]1C ZINC000117369907 221058975 /nfs/dbraw/zinc/05/89/75/221058975.db2.gz VFFWQUGKCGHOML-GFCCVEGCSA-N 0 0 332.853 1.681 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)CCN1CCOC ZINC000117371762 221059101 /nfs/dbraw/zinc/05/91/01/221059101.db2.gz JTPBORQGBDRGFI-AWEZNQCLSA-N 0 0 344.452 1.865 10 0 EDAERN CCOCCN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000117397827 221059774 /nfs/dbraw/zinc/05/97/74/221059774.db2.gz QPBPBCKZBXKFLE-ZDUSSCGKSA-N 0 0 344.415 1.106 10 0 EDAERN CCOCCN1CCN(C(=O)CCS(=O)(=O)CC(C)C)C[C@@H]1C ZINC000117276124 221042584 /nfs/dbraw/zinc/04/25/84/221042584.db2.gz IJESQEZFRJIBFQ-HNNXBMFYSA-N 0 0 348.509 1.017 10 0 EDAERN O=C(CNC(=O)OCC(F)(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119588116 221354309 /nfs/dbraw/zinc/35/43/09/221354309.db2.gz RAQZMTQCPFUFIN-MFKMUULPSA-N 0 0 338.326 1.429 10 0 EDAERN O=C(c1ccccn1)N1C[C@@H]2OC[C@@H](CNc3ncccn3)[C@@H]2C1 ZINC000247827015 257678213 /nfs/dbraw/zinc/67/82/13/257678213.db2.gz JHGXHGQXXGBRAG-IPYPFGDCSA-N 0 0 325.372 1.071 10 0 EDAERN CC(=O)O[C@@H]1[C@H](C)O[C@H](O)[C@H](OCc2ccccc2)[C@H]1OC(C)=O ZINC000504683871 257707702 /nfs/dbraw/zinc/70/77/02/257707702.db2.gz HBVDJQLPAKHZER-CTEYXQFRSA-N 0 0 338.356 1.172 10 0 EDAERN COc1c(C)cnc(CN(C)C(=O)NCC(=O)NCC2CC2)c1C ZINC000183776384 533408452 /nfs/dbraw/zinc/40/84/52/533408452.db2.gz FDVNICYILSCLOR-UHFFFAOYSA-N 0 0 334.420 1.375 10 0 EDAERN C[C@@H](NCc1nc(C(C)(C)C)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000181562481 533468949 /nfs/dbraw/zinc/46/89/49/533468949.db2.gz RWDJLAHABIOWLI-SNVBAGLBSA-N 0 0 338.433 1.865 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(Br)ccc1F ZINC000168861700 533548486 /nfs/dbraw/zinc/54/84/86/533548486.db2.gz GIBOQAUEJRYKRZ-GZMMTYOYSA-N 0 0 346.152 1.337 10 0 EDAERN Cc1nc(N2CCN(C)CC2)ncc1-c1ccnc(N2CCCC2)n1 ZINC000054202079 132190427 /nfs/dbraw/zinc/19/04/27/132190427.db2.gz OHRWVGQBWCDLSF-UHFFFAOYSA-N 0 0 339.447 1.594 10 0 EDAERN Cc1cccc(N2CCN(C(=O)c3nn4cnnc4s3)CC2)c1 ZINC000049659823 132432149 /nfs/dbraw/zinc/43/21/49/132432149.db2.gz YBDPZSKSFJCGOM-UHFFFAOYSA-N 0 0 328.401 1.457 10 0 EDAERN CC(C)CNC(=O)N[C@H]1CCN(S(C)(=O)=O)c2ccccc21 ZINC000062269957 132436092 /nfs/dbraw/zinc/43/60/92/132436092.db2.gz NZBAJRIZTXPTLD-ZDUSSCGKSA-N 0 0 325.434 1.853 10 0 EDAERN CN(CC1(O)CCC1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000328675752 140669367 /nfs/dbraw/zinc/66/93/67/140669367.db2.gz QZTKFLDICDFKHR-UHFFFAOYSA-N 0 0 325.430 1.936 10 0 EDAERN O=C(c1ncoc1[C@@H]1CCCO1)N1CCN(Cc2ccncc2)CC1 ZINC000329327249 140708424 /nfs/dbraw/zinc/70/84/24/140708424.db2.gz XCVRVXURACPAGD-HNNXBMFYSA-N 0 0 342.399 1.879 10 0 EDAERN O=C(c1nncn1C[C@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000330302269 140830762 /nfs/dbraw/zinc/83/07/62/140830762.db2.gz OFSAOOODZWOJAI-GFCCVEGCSA-N 0 0 325.434 1.866 10 0 EDAERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc(F)cc3n[nH]nc32)C1 ZINC000333477410 141323925 /nfs/dbraw/zinc/32/39/25/141323925.db2.gz RWRFBKQEHCAJRI-LLVKDONJSA-N 0 0 342.378 1.925 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CCN1CCOC ZINC000117308090 287149575 /nfs/dbraw/zinc/14/95/75/287149575.db2.gz JPQZAPPJNXGTHH-OAGGEKHMSA-N 0 0 328.453 1.140 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)NCCN2CCCS2(=O)=O)cc1 ZINC000061039873 287236071 /nfs/dbraw/zinc/23/60/71/287236071.db2.gz MDSYCCGUJKJEPM-CYBMUJFWSA-N 0 0 339.461 1.645 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)C[C@H]1N1CCOCC1 ZINC000246907694 296891075 /nfs/dbraw/zinc/89/10/75/296891075.db2.gz IDGTVUPQRQGEKC-ZTFGCOKTSA-N 0 0 343.427 1.359 10 0 EDAERN C[C@@H](NC(=O)N(CCO)CCOCC(F)(F)F)[C@@H]1CCCO1 ZINC000073720093 287263750 /nfs/dbraw/zinc/26/37/50/287263750.db2.gz IIPSEADYZRQFIA-MNOVXSKESA-N 0 0 328.331 1.137 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NC[C@H](C)Cn1ccnc1C ZINC000073949747 287266339 /nfs/dbraw/zinc/26/63/39/287266339.db2.gz DQCMPHQDQGXULO-GOEBONIOSA-N 0 0 349.479 1.870 10 0 EDAERN O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119570196 287354530 /nfs/dbraw/zinc/35/45/30/287354530.db2.gz HPTYNTJLEQYIFZ-SJORKVTESA-N 0 0 327.465 1.968 10 0 EDAERN O=C(NC1CC1)[C@H]1COCCN1Cc1ccc(Br)cn1 ZINC000168426697 226213017 /nfs/dbraw/zinc/21/30/17/226213017.db2.gz DJUFTBBSHMFYIS-CYBMUJFWSA-N 0 0 340.221 1.324 10 0 EDAERN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCOC[C@H]1CO ZINC000168677438 226221350 /nfs/dbraw/zinc/22/13/50/226221350.db2.gz MMTBZVNXFLBUJO-SECBINFHSA-N 0 0 326.201 1.375 10 0 EDAERN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(N)c2ccccc21 ZINC000169082455 226231680 /nfs/dbraw/zinc/23/16/80/226231680.db2.gz PKEISLOOASQZGH-SBKAZYGRSA-N 0 0 326.443 1.467 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000123227398 222239029 /nfs/dbraw/zinc/23/90/29/222239029.db2.gz GYNBPDYAOPDAHJ-UHFFFAOYSA-N 0 0 333.436 1.007 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CC(C)(C)C ZINC000129107127 287469269 /nfs/dbraw/zinc/46/92/69/287469269.db2.gz JVPPQHFMRYMHDS-STQMWFEESA-N 0 0 334.482 1.104 10 0 EDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1cccc2cnccc21 ZINC000172592021 227784598 /nfs/dbraw/zinc/78/45/98/227784598.db2.gz FJXRVWNPASEUIA-OAHLLOKOSA-N 0 0 347.440 1.376 10 0 EDAERN CCc1nc(C2(NCc3nnnn3CC(F)(F)F)CCCC2)no1 ZINC000190918064 272976707 /nfs/dbraw/zinc/97/67/07/272976707.db2.gz VFENLYWXJGBLJE-UHFFFAOYSA-N 0 0 345.329 1.740 10 0 EDAERN CCCNC(=O)c1cccc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178447775 267564773 /nfs/dbraw/zinc/56/47/73/267564773.db2.gz PCMKVACMVDLUCQ-OAHLLOKOSA-N 0 0 348.447 1.396 10 0 EDAERN CC(=O)NC1CN(C(=O)CCc2cccc(Br)c2)C1 ZINC000190512530 267798928 /nfs/dbraw/zinc/79/89/28/267798928.db2.gz ZPZKMUCYMXNRCC-UHFFFAOYSA-N 0 0 325.206 1.729 10 0 EDAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087867 272924488 /nfs/dbraw/zinc/92/44/88/272924488.db2.gz WMIFMFSTMUPZIW-UJAVWCLSSA-N 0 0 341.367 1.553 10 0 EDAERN CCOC(=O)C1(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)CCC1 ZINC000124812452 272925929 /nfs/dbraw/zinc/92/59/29/272925929.db2.gz ZKIKOAYFLVQDME-ZDUSSCGKSA-N 0 0 335.404 1.893 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000184974249 273753820 /nfs/dbraw/zinc/75/38/20/273753820.db2.gz SKDXPTBIUJHYCD-GVDBMIGSSA-N 0 0 335.423 1.780 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000247207941 287759686 /nfs/dbraw/zinc/75/96/86/287759686.db2.gz WUPNAICBUAJUEY-IPYPFGDCSA-N 0 0 325.453 1.334 10 0 EDAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112662518 275664424 /nfs/dbraw/zinc/66/44/24/275664424.db2.gz QFMXYKFGRHJAQL-GFCCVEGCSA-N 0 0 348.428 1.205 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000255914643 287853575 /nfs/dbraw/zinc/85/35/75/287853575.db2.gz IFTDMNXPLQRHIX-VGVVRCBHSA-N 0 0 326.356 1.980 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171988968 276415960 /nfs/dbraw/zinc/41/59/60/276415960.db2.gz SFPPVRGEAVORTJ-MAUKXSAKSA-N 0 0 345.443 1.581 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000253191853 276643193 /nfs/dbraw/zinc/64/31/93/276643193.db2.gz XWUVONAGPWPNRJ-BBWFWOEESA-N 0 0 341.496 1.678 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000153767139 277251477 /nfs/dbraw/zinc/25/14/77/277251477.db2.gz JETWFTARPWEUKC-CYBMUJFWSA-N 0 0 342.355 1.017 10 0 EDAERN CC(C)C[C@H](CO)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177901271 279171137 /nfs/dbraw/zinc/17/11/37/279171137.db2.gz KNIOLRQHKPZJNK-TZMCWYRMSA-N 0 0 342.461 1.857 10 0 EDAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000172830130 279557834 /nfs/dbraw/zinc/55/78/34/279557834.db2.gz CZQCDNNKSJCMSB-HOTGVXAUSA-N 0 0 349.475 1.398 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000106395704 280206876 /nfs/dbraw/zinc/20/68/76/280206876.db2.gz DVKZWNBPUKXBRR-QGZVFWFLSA-N 0 0 345.443 1.564 10 0 EDAERN Cc1ccc(N2CCC(N3C(=O)N[C@]4(CCOC4)C3=O)CC2)nc1 ZINC000330244159 280863461 /nfs/dbraw/zinc/86/34/61/280863461.db2.gz CXWSQEZJVLVGKL-KRWDZBQOSA-N 0 0 330.388 1.274 10 0 EDAERN CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)NC1CCCC1 ZINC000329421141 281159027 /nfs/dbraw/zinc/15/90/27/281159027.db2.gz HMGGJZGWGUDHQM-UHFFFAOYSA-N 0 0 329.466 1.096 10 0 EDAERN CN(CC(C)(CO)CO)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000182916270 289525727 /nfs/dbraw/zinc/52/57/27/289525727.db2.gz AZWQUURQCOVKAP-RDJZCZTQSA-N 0 0 348.443 1.045 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc(C)[nH]2)cn1 ZINC000328665803 295189434 /nfs/dbraw/zinc/18/94/34/295189434.db2.gz CGXVTEIZHCBQDL-LBPRGKRZSA-N 0 0 337.405 1.433 10 0 EDAERN O=C(CN1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1)NC1CC1 ZINC000158818663 303613326 /nfs/dbraw/zinc/61/33/26/303613326.db2.gz LBCXGWIPZBOGAK-IRXDYDNUSA-N 0 0 333.476 1.626 10 0 EDAERN O=C1CCN(Cc2nnnn2C[C@H]2CCCO2)c2ccccc2N1 ZINC000000414823 440820194 /nfs/dbraw/zinc/82/01/94/440820194.db2.gz ISAUMRMSZOJOOF-GFCCVEGCSA-N 0 0 328.376 1.201 10 0 EDAERN CCC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C ZINC000000428936 440823232 /nfs/dbraw/zinc/82/32/32/440823232.db2.gz UBAMLQXAEFZDMP-LBPRGKRZSA-N 0 0 338.429 1.395 10 0 EDAERN CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CC2)n1 ZINC000005433887 440955468 /nfs/dbraw/zinc/95/54/68/440955468.db2.gz CIQSSJRKABRXMW-DDHJSBNISA-N 0 0 346.431 1.247 10 0 EDAERN CN1CC(=O)N(CCCC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000007667436 441062135 /nfs/dbraw/zinc/06/21/35/441062135.db2.gz ARXMJDCHNZDFKW-OAHLLOKOSA-N 0 0 329.400 1.854 10 0 EDAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000048059975 441255128 /nfs/dbraw/zinc/25/51/28/441255128.db2.gz NXDAANDKNKFVJB-GFCCVEGCSA-N 0 0 343.449 1.762 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CC(=O)N[C@H](C)C(C)C)CC2)n1 ZINC000105865132 441295399 /nfs/dbraw/zinc/29/53/99/441295399.db2.gz AUBCOEBBZSNCMQ-ZIAGYGMSSA-N 0 0 337.468 1.471 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000061783392 441290141 /nfs/dbraw/zinc/29/01/41/441290141.db2.gz FABULDNFLSHIPV-VIFPVBQESA-N 0 0 348.371 1.782 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCCn3nc(C)nc32)c1C ZINC000081583494 441293939 /nfs/dbraw/zinc/29/39/39/441293939.db2.gz PKRWEALJQYPGDV-GFCCVEGCSA-N 0 0 345.403 1.973 10 0 EDAERN CN(C(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1)C1CC1 ZINC000105866214 441296658 /nfs/dbraw/zinc/29/66/58/441296658.db2.gz XUKOZRHUQJLYDR-UHFFFAOYSA-N 0 0 333.480 1.377 10 0 EDAERN O=C(Nc1cc(-n2cnnn2)ccc1F)N[C@@H]1CCCC[C@H]1CO ZINC000081624201 441297209 /nfs/dbraw/zinc/29/72/09/441297209.db2.gz QSRVCASQZBEDHY-GXFFZTMASA-N 0 0 334.355 1.474 10 0 EDAERN CCCCc1nc(CN2CCN(c3nccc(OCC)n3)CC2)no1 ZINC000105868626 441298998 /nfs/dbraw/zinc/29/89/98/441298998.db2.gz DSBSRPDCKXJDJV-UHFFFAOYSA-N 0 0 346.435 1.923 10 0 EDAERN C[C@H]1C[C@H](C)CN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)C1 ZINC000105869321 441300177 /nfs/dbraw/zinc/30/01/77/441300177.db2.gz GZKIKTZOQDUSOT-IRXDYDNUSA-N 0 0 347.507 1.432 10 0 EDAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)C1 ZINC000105869317 441300221 /nfs/dbraw/zinc/30/02/21/441300221.db2.gz GZKIKTZOQDUSOT-CALCHBBNSA-N 0 0 347.507 1.432 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000084302081 441392409 /nfs/dbraw/zinc/39/24/09/441392409.db2.gz ZOJQSQREHUQVIP-AAEUAGOBSA-N 0 0 344.408 1.015 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1nc2ccccc2n1C ZINC000083695789 441367159 /nfs/dbraw/zinc/36/71/59/441367159.db2.gz BMTLOIBWEDTYMH-CYBMUJFWSA-N 0 0 339.403 1.808 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccnc(OC)c1 ZINC000087034080 441477022 /nfs/dbraw/zinc/47/70/22/441477022.db2.gz HHTIMFVBMXXDLR-LBPRGKRZSA-N 0 0 330.392 1.578 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)NC[C@H](C)N1CCOCC1)CO2 ZINC000087087613 441479817 /nfs/dbraw/zinc/47/98/17/441479817.db2.gz RHLUMEUJCBKAMS-ZDUSSCGKSA-N 0 0 332.400 1.308 10 0 EDAERN CC[C@H]1CN(c2ncc(C(N)=O)cc2Cl)CCN1C[C@@H](C)O ZINC000109320136 441495299 /nfs/dbraw/zinc/49/52/99/441495299.db2.gz KVYNKSARNDLFFU-PWSUYJOCSA-N 0 0 326.828 1.115 10 0 EDAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000086334490 441461967 /nfs/dbraw/zinc/46/19/67/441461967.db2.gz CVXXORSWTZTFQL-ZANVPECISA-N 0 0 346.836 1.268 10 0 EDAERN Cc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1I ZINC000110343937 441516904 /nfs/dbraw/zinc/51/69/04/441516904.db2.gz LEUSAQBKKVNVCC-QMMMGPOBSA-N 0 0 344.152 1.674 10 0 EDAERN O=C(CSCC(=O)c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112654785 441552510 /nfs/dbraw/zinc/55/25/10/441552510.db2.gz MLKNKUJUBQWPIF-ZDUSSCGKSA-N 0 0 330.413 1.325 10 0 EDAERN CCCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112657880 441552707 /nfs/dbraw/zinc/55/27/07/441552707.db2.gz KJFIRRWLJUVQQG-LBPRGKRZSA-N 0 0 348.428 1.207 10 0 EDAERN CCc1c(C(=O)N[C@@H]2CCc3ncnn3C2)cnn1-c1ccccn1 ZINC000112660206 441554029 /nfs/dbraw/zinc/55/40/29/441554029.db2.gz XSINNZJJRVJKPL-GFCCVEGCSA-N 0 0 337.387 1.166 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cn(C)nc3C)CC2)cn1 ZINC000113173889 441585332 /nfs/dbraw/zinc/58/53/32/441585332.db2.gz ZYZOBRHWOUBULO-UHFFFAOYSA-N 0 0 330.436 1.293 10 0 EDAERN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2c[nH]c(=O)cn2)cc1 ZINC000076068325 441593115 /nfs/dbraw/zinc/59/31/15/441593115.db2.gz IBQZLWDRTFTQDU-YOEHRIQHSA-N 0 0 327.384 1.976 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccccc1OC(F)F ZINC000113298661 441600012 /nfs/dbraw/zinc/60/00/12/441600012.db2.gz GPRQDILHBXVFIO-VIFPVBQESA-N 0 0 344.343 1.173 10 0 EDAERN NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)NC1CCC1 ZINC000038782839 441616609 /nfs/dbraw/zinc/61/66/09/441616609.db2.gz VBLPJDOHLYPIQY-UHFFFAOYSA-N 0 0 327.793 1.751 10 0 EDAERN Cc1nc(N)nc2c1cc(Br)c(=O)n2[C@H]1CCOC1 ZINC000113726518 441623274 /nfs/dbraw/zinc/62/32/74/441623274.db2.gz GJKWUYAAJQCNPY-ZETCQYMHSA-N 0 0 325.166 1.406 10 0 EDAERN CNC(Nc1ccc(OC)c(OC)c1)=C1C(=O)OC(C)(C)OC1=O ZINC000113683954 441623363 /nfs/dbraw/zinc/62/33/63/441623363.db2.gz MVRXZBZWWMAWEE-UHFFFAOYSA-N 0 0 336.344 1.383 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000076802265 441686068 /nfs/dbraw/zinc/68/60/68/441686068.db2.gz ARSZMAFKQSHVME-NWDGAFQWSA-N 0 0 335.370 1.340 10 0 EDAERN Cn1cc([C@H]2[C@@H](C(=O)NCc3ccccc3F)CCC(=O)N2C)cn1 ZINC000115203918 441718017 /nfs/dbraw/zinc/71/80/17/441718017.db2.gz NZKLAKTUJWOVHS-YOEHRIQHSA-N 0 0 344.390 1.785 10 0 EDAERN CC(C)(C)c1ncc2c(n1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000067934166 441698176 /nfs/dbraw/zinc/69/81/76/441698176.db2.gz ZNBDVROHVQSURU-NSHDSACASA-N 0 0 337.445 1.441 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(COC)cc1)CC2 ZINC000114926117 441699379 /nfs/dbraw/zinc/69/93/79/441699379.db2.gz HWXMFWHQQMIIFN-OAHLLOKOSA-N 0 0 343.431 1.801 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](COC)c1ccccc1)CC2 ZINC000114954986 441704187 /nfs/dbraw/zinc/70/41/87/441704187.db2.gz VFKZFXRZFLPDES-CABCVRRESA-N 0 0 343.431 1.842 10 0 EDAERN C[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)c1ccc(F)c(Cl)c1 ZINC000056353878 441705810 /nfs/dbraw/zinc/70/58/10/441705810.db2.gz LAVAGTVYFDVZGX-WRWORJQWSA-N 0 0 327.743 1.645 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1)[C@@H]1CCCO1 ZINC000091194650 441672325 /nfs/dbraw/zinc/67/23/25/441672325.db2.gz MHHMCDAJVPSIMK-OXQQXRNKSA-N 0 0 342.392 1.185 10 0 EDAERN CCc1cnc(CNC(=O)N2CCN(CCOC)[C@@H](C)C2)s1 ZINC000173397726 441734044 /nfs/dbraw/zinc/73/40/44/441734044.db2.gz RTYSWPXCMHSIOG-LBPRGKRZSA-N 0 0 326.466 1.568 10 0 EDAERN C[C@@H](CNC(=O)NCC1([C@H](O)c2ccccc2)CC1)N1CCOCC1 ZINC000121632667 441746251 /nfs/dbraw/zinc/74/62/51/441746251.db2.gz NHUQOZLQZVQFPB-DOTOQJQBSA-N 0 0 347.459 1.520 10 0 EDAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173446855 441754141 /nfs/dbraw/zinc/75/41/41/441754141.db2.gz OWEITTXWWYUCDK-RYUDHWBXSA-N 0 0 338.433 1.778 10 0 EDAERN CCc1cccc(OC2CN(C(=O)C3CCN(CC(N)=O)CC3)C2)c1 ZINC000092004126 441760428 /nfs/dbraw/zinc/76/04/28/441760428.db2.gz GEEBDTRSDGQLTD-UHFFFAOYSA-N 0 0 345.443 1.036 10 0 EDAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000173653789 441815863 /nfs/dbraw/zinc/81/58/63/441815863.db2.gz QMXGBDAOVVCFTP-CYBMUJFWSA-N 0 0 349.387 1.499 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2ccccn2)CC1 ZINC000115778802 441775221 /nfs/dbraw/zinc/77/52/21/441775221.db2.gz RDQGKRPTTAAMNR-UHFFFAOYSA-N 0 0 342.447 1.459 10 0 EDAERN CCSc1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)ccn1 ZINC000173520714 441776191 /nfs/dbraw/zinc/77/61/91/441776191.db2.gz QJMKANWYLDTSQH-GFCCVEGCSA-N 0 0 333.417 1.834 10 0 EDAERN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCOC[C@H]1C(N)=O ZINC000092228685 441780405 /nfs/dbraw/zinc/78/04/05/441780405.db2.gz GDBZNEFWNGENTN-HNNXBMFYSA-N 0 0 348.834 1.579 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(F)c(F)c(F)c3F)CCO2)[nH]1 ZINC000173541954 441784491 /nfs/dbraw/zinc/78/44/91/441784491.db2.gz NMFKPNZUUXGNIP-VIFPVBQESA-N 0 0 344.268 1.883 10 0 EDAERN COCCN1CCN(C(=O)c2cn(Cc3cccs3)nn2)C[C@@H]1C ZINC000173548586 441787451 /nfs/dbraw/zinc/78/74/51/441787451.db2.gz FTVNDSBRDDHSIW-ZDUSSCGKSA-N 0 0 349.460 1.181 10 0 EDAERN C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1Br ZINC000042813416 441788354 /nfs/dbraw/zinc/78/83/54/441788354.db2.gz ROFTXXOMFPWQMC-XCBNKYQSSA-N 0 0 340.177 1.224 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116115798 441794365 /nfs/dbraw/zinc/79/43/65/441794365.db2.gz UNQUOBBKJJESDY-CYBMUJFWSA-N 0 0 347.440 1.843 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)cn1 ZINC000116118106 441795504 /nfs/dbraw/zinc/79/55/04/441795504.db2.gz WBRCEXGBNRFVTG-LBPRGKRZSA-N 0 0 338.367 1.032 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)CC3CCCCC3)C2)cn1 ZINC000116230144 441803237 /nfs/dbraw/zinc/80/32/37/441803237.db2.gz XNCZCFFUQNDPMJ-OAHLLOKOSA-N 0 0 332.448 1.823 10 0 EDAERN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173624266 441807323 /nfs/dbraw/zinc/80/73/23/441807323.db2.gz URTHGIDOMOCPPT-NEPJUHHUSA-N 0 0 336.440 1.135 10 0 EDAERN Cc1ccccc1CCNC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173930300 441863832 /nfs/dbraw/zinc/86/38/32/441863832.db2.gz RCCJCDPRIXHBAK-GOSISDBHSA-N 0 0 331.460 1.060 10 0 EDAERN COCCOc1ccccc1C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117289027 441867579 /nfs/dbraw/zinc/86/75/79/441867579.db2.gz GOGULGKQYAUTCR-HNNXBMFYSA-N 0 0 336.432 1.505 10 0 EDAERN COCCN1CCN(C(=O)COc2ccc(Cl)cc2)C[C@H]1C ZINC000117295494 441869598 /nfs/dbraw/zinc/86/95/98/441869598.db2.gz MQLJXXXUSXBDDM-CYBMUJFWSA-N 0 0 326.824 1.898 10 0 EDAERN Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cnc1Cl ZINC000117359542 441871150 /nfs/dbraw/zinc/87/11/50/441871150.db2.gz XAXQXEOFYHDIAW-LLVKDONJSA-N 0 0 333.841 1.042 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3nccn3CC(F)(F)F)CCO2)[nH]1 ZINC000173687895 441824238 /nfs/dbraw/zinc/82/42/38/441824238.db2.gz DBQJAABWCLBZPO-JTQLQIEISA-N 0 0 344.341 1.699 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Nc3ccn(C)n3)CC2)cs1 ZINC000116495344 441826340 /nfs/dbraw/zinc/82/63/40/441826340.db2.gz KNBKOWNEFMTMDN-UHFFFAOYSA-N 0 0 334.449 1.925 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NCCCN1CCCC1=O ZINC000173983963 441873579 /nfs/dbraw/zinc/87/35/79/441873579.db2.gz JVMIVGZQOFIDJT-HNNXBMFYSA-N 0 0 333.432 1.903 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000173814061 441844432 /nfs/dbraw/zinc/84/44/32/441844432.db2.gz UQKTVXSFCVLLSV-KDOFPFPSSA-N 0 0 345.443 1.115 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000117522498 441874208 /nfs/dbraw/zinc/87/42/08/441874208.db2.gz QDXYVYGLYOFRJO-OAHLLOKOSA-N 0 0 333.432 1.421 10 0 EDAERN CC(C)c1noc(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000173861958 441852726 /nfs/dbraw/zinc/85/27/26/441852726.db2.gz NDTKIDXXYWFPQO-UONOGXRCSA-N 0 0 336.436 1.305 10 0 EDAERN CN(C(=O)CCc1ccccn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122613437 441855553 /nfs/dbraw/zinc/85/55/53/441855553.db2.gz NCPVSAPKVUOHTO-INIZCTEOSA-N 0 0 325.416 1.932 10 0 EDAERN Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118673399 441901162 /nfs/dbraw/zinc/90/11/62/441901162.db2.gz CNECETKEDZGFET-AWEZNQCLSA-N 0 0 328.420 1.155 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Nc2nccs2)ncn1 ZINC000174245619 441906965 /nfs/dbraw/zinc/90/69/65/441906965.db2.gz URLIRMZHMYWNDC-JTQLQIEISA-N 0 0 333.421 1.765 10 0 EDAERN CSC(C)(C)CNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000174357098 441916313 /nfs/dbraw/zinc/91/63/13/441916313.db2.gz GLZFURVUDTZWGE-ZDUSSCGKSA-N 0 0 326.466 1.744 10 0 EDAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc2ccccc2c1 ZINC000124417792 441924627 /nfs/dbraw/zinc/92/46/27/441924627.db2.gz QODXJPVBMLFICC-LBPRGKRZSA-N 0 0 327.384 1.221 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccccn2)ncn1 ZINC000174000140 441876046 /nfs/dbraw/zinc/87/60/46/441876046.db2.gz QJRSICJOQWSMKF-CQSZACIVSA-N 0 0 341.419 1.382 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000118052226 441884389 /nfs/dbraw/zinc/88/43/89/441884389.db2.gz IQNKCKBJFYBMDY-XJKSGUPXSA-N 0 0 341.415 1.894 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000118081722 441885896 /nfs/dbraw/zinc/88/58/96/441885896.db2.gz RRUCDBKVHPQFCV-INIZCTEOSA-N 0 0 342.447 1.675 10 0 EDAERN CCOc1cc([C@@H]2NC(=O)[C@H]3COCCN32)cc(Cl)c1OC ZINC000093884532 441898182 /nfs/dbraw/zinc/89/81/82/441898182.db2.gz CKFJIEOKXRRPIG-BXUZGUMPSA-N 0 0 326.780 1.577 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cccnc1OCC(F)F ZINC000123786346 441899449 /nfs/dbraw/zinc/89/94/49/441899449.db2.gz YYSACAAHZPRIEY-SNVBAGLBSA-N 0 0 328.319 1.468 10 0 EDAERN Cc1cnc(S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc1 ZINC000119468674 441936346 /nfs/dbraw/zinc/93/63/46/441936346.db2.gz GUKYSTZMORDVNI-QWHCGFSZSA-N 0 0 333.413 1.825 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)[C@H](C)c3cccnc3)CC2)n1 ZINC000174653085 441949294 /nfs/dbraw/zinc/94/92/94/441949294.db2.gz SEAAZPFRMWILDN-CQSZACIVSA-N 0 0 341.415 1.723 10 0 EDAERN CC(=O)N1CC[C@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000150837882 441959910 /nfs/dbraw/zinc/95/99/10/441959910.db2.gz YFQFZDIWYCSEOM-INIZCTEOSA-N 0 0 345.447 1.279 10 0 EDAERN NC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2CO)nn1-c1ccccc1 ZINC000151029646 441993182 /nfs/dbraw/zinc/99/31/82/441993182.db2.gz GMGOLYMZINFKEV-GXTWGEPZSA-N 0 0 342.399 1.252 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC(CC)(CC)CCO)CC2 ZINC000174962109 441988185 /nfs/dbraw/zinc/98/81/85/441988185.db2.gz UPHPGIRBLSHGCK-CYBMUJFWSA-N 0 0 337.468 1.643 10 0 EDAERN C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)Oc1cccc(F)c1 ZINC000175113552 442006463 /nfs/dbraw/zinc/00/64/63/442006463.db2.gz LLYAMFDAJKRFIU-WCQYABFASA-N 0 0 333.367 1.499 10 0 EDAERN COc1cccc(O[C@@H](C)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000175121287 442007424 /nfs/dbraw/zinc/00/74/24/442007424.db2.gz YYBZYSALGRLOFZ-QWHCGFSZSA-N 0 0 345.403 1.368 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCO[C@]3(CCc4ccccc43)C2)C1 ZINC000120240571 442033793 /nfs/dbraw/zinc/03/37/93/442033793.db2.gz PTFRBNQSSNFCDH-VQIMIIECSA-N 0 0 345.443 1.201 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCc3ccc(F)cc3)CCO2)[nH]1 ZINC000175294454 442033827 /nfs/dbraw/zinc/03/38/27/442033827.db2.gz MCNZSCFCTVITPH-CQSZACIVSA-N 0 0 333.367 1.578 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(N2CCCC2=O)ccc1F ZINC000120276781 442040023 /nfs/dbraw/zinc/04/00/23/442040023.db2.gz LVTQBKLDYAKRBO-LLVKDONJSA-N 0 0 343.362 1.289 10 0 EDAERN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C[C@@H](O)C(C)C)C2)c1 ZINC000161890112 442040719 /nfs/dbraw/zinc/04/07/19/442040719.db2.gz HZBIXJQCKPVBPX-CXAGYDPISA-N 0 0 336.432 1.806 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1cccc(O)c1 ZINC000175331959 442043558 /nfs/dbraw/zinc/04/35/58/442043558.db2.gz CFQUVIGOUKMONC-OAHLLOKOSA-N 0 0 340.445 1.255 10 0 EDAERN Cc1cnn(-c2ccc(NC(=O)NC[C@H]3CN(C)CCO3)cc2F)c1 ZINC000151594539 442090337 /nfs/dbraw/zinc/09/03/37/442090337.db2.gz ZZYFFZMEFRDOTK-AWEZNQCLSA-N 0 0 347.394 1.772 10 0 EDAERN CC(C)[C@@H](CNC(=O)NC[C@@H](C)N1CCOCC1)c1cccnc1 ZINC000175345836 442045885 /nfs/dbraw/zinc/04/58/85/442045885.db2.gz URXRJBNHBXPGGX-NVXWUHKLSA-N 0 0 334.464 1.841 10 0 EDAERN C[C@@H](CNC(=O)[C@H]1SCCc2sccc21)N1CCOCC1 ZINC000079506403 442057060 /nfs/dbraw/zinc/05/70/60/442057060.db2.gz KFXZTEQOBZQUIV-FZMZJTMJSA-N 0 0 326.487 1.915 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](C)c2c(C)noc2C)C[C@H]1C ZINC000151451260 442064648 /nfs/dbraw/zinc/06/46/48/442064648.db2.gz WQTXYOSPOBFHGO-CHWSQXEVSA-N 0 0 338.452 1.757 10 0 EDAERN COc1ccc(C(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000151450119 442064881 /nfs/dbraw/zinc/06/48/81/442064881.db2.gz CQZCBSKGGCJAMB-KXBFYZLASA-N 0 0 346.427 1.579 10 0 EDAERN COC(=O)C[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCO1 ZINC000175477472 442070572 /nfs/dbraw/zinc/07/05/72/442070572.db2.gz WSQKSASQKLDBKD-CMPLNLGQSA-N 0 0 342.342 1.999 10 0 EDAERN COc1c(CN2CCN(Cc3cnc(C)s3)CC2)c(C)nn1C ZINC000120447095 442074336 /nfs/dbraw/zinc/07/43/36/442074336.db2.gz RFZSFFMMLVAGSQ-UHFFFAOYSA-N 0 0 335.477 1.820 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)COc3ccccc3O)CC2)cn1 ZINC000151553435 442083216 /nfs/dbraw/zinc/08/32/16/442083216.db2.gz UEFRNWWPVDXONB-UHFFFAOYSA-N 0 0 344.415 1.239 10 0 EDAERN CCCC[C@H](COC)NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175554925 442085732 /nfs/dbraw/zinc/08/57/32/442085732.db2.gz FEZXOYYWROHOBV-CHWSQXEVSA-N 0 0 325.413 1.401 10 0 EDAERN COC(=O)[C@@H](c1ccccc1C)N1CCO[C@H](Cn2cccn2)C1 ZINC000162957704 442134166 /nfs/dbraw/zinc/13/41/66/442134166.db2.gz XGAPVXFXYCGXTB-DOTOQJQBSA-N 0 0 329.400 1.807 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000175887535 442141152 /nfs/dbraw/zinc/14/11/52/442141152.db2.gz PBSHXDUZRFJTJH-GXTWGEPZSA-N 0 0 329.408 1.734 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1cc(C)ccc1F)CC2 ZINC000151670736 442104511 /nfs/dbraw/zinc/10/45/11/442104511.db2.gz SYUKACAIFHKSBW-LBPRGKRZSA-N 0 0 332.379 1.798 10 0 EDAERN O=C(c1c(F)cc(Br)cc1F)N1CCO[C@@H](CO)C1 ZINC000126366286 442104566 /nfs/dbraw/zinc/10/45/66/442104566.db2.gz WNGKSNVZKCJRRI-MRVPVSSYSA-N 0 0 336.132 1.561 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)O1 ZINC000151695139 442108326 /nfs/dbraw/zinc/10/83/26/442108326.db2.gz POZPFBGNZNOJGD-OLZOCXBDSA-N 0 0 335.408 1.187 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000163600027 442175397 /nfs/dbraw/zinc/17/53/97/442175397.db2.gz CQRVJTMCOSYPAN-CYBMUJFWSA-N 0 0 331.351 1.355 10 0 EDAERN O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121112299 442178737 /nfs/dbraw/zinc/17/87/37/442178737.db2.gz COXDQEKXCAMOTH-LLVKDONJSA-N 0 0 346.305 1.550 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(-c3ncon3)cc2)n1 ZINC000121146492 442182824 /nfs/dbraw/zinc/18/28/24/442182824.db2.gz CAIODKILRFFHPF-ZDUSSCGKSA-N 0 0 341.327 1.642 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000121267752 442197946 /nfs/dbraw/zinc/19/79/46/442197946.db2.gz PLFJSVLYRUVVSD-LLVKDONJSA-N 0 0 341.770 1.545 10 0 EDAERN CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000121296161 442200622 /nfs/dbraw/zinc/20/06/22/442200622.db2.gz GUYKAWDJEQLMIA-CABCVRRESA-N 0 0 336.432 1.437 10 0 EDAERN CSC[C@](C)(O)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121302172 442200941 /nfs/dbraw/zinc/20/09/41/442200941.db2.gz YPLRCIXZGYSDFH-QMTHXVAHSA-N 0 0 327.454 1.089 10 0 EDAERN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120913089 442151068 /nfs/dbraw/zinc/15/10/68/442151068.db2.gz BTIFGXHUMAPVDC-NSHDSACASA-N 0 0 330.306 1.936 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)C1 ZINC000097015716 442155420 /nfs/dbraw/zinc/15/54/20/442155420.db2.gz DAJVZWDGCONGEX-HIFRSBDPSA-N 0 0 325.434 1.511 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000127017768 442162419 /nfs/dbraw/zinc/16/24/19/442162419.db2.gz VOGYFQXTTZURPK-AWEZNQCLSA-N 0 0 327.388 1.464 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCN(C(=O)N[C@@H]3C[C@@H]3C)CC2)n1 ZINC000176343641 442212478 /nfs/dbraw/zinc/21/24/78/442212478.db2.gz SDKXFOJVSVLSRO-YNEHKIRRSA-N 0 0 337.424 1.403 10 0 EDAERN COCCN1CCN(C(=O)c2c(C)onc2-c2ccccn2)C[C@@H]1C ZINC000152475805 442217437 /nfs/dbraw/zinc/21/74/37/442217437.db2.gz YELSASDKMAQBLE-ZDUSSCGKSA-N 0 0 344.415 1.838 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000152555271 442225348 /nfs/dbraw/zinc/22/53/48/442225348.db2.gz ZIIGLAQGLAIEBD-CFVMTHIKSA-N 0 0 331.416 1.178 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cnn(C)c1 ZINC000176518339 442230248 /nfs/dbraw/zinc/23/02/48/442230248.db2.gz ZISDFDXNAWRKPX-AWEZNQCLSA-N 0 0 334.445 1.627 10 0 EDAERN C[C@H](C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1)n1cncn1 ZINC000176543850 442232708 /nfs/dbraw/zinc/23/27/08/442232708.db2.gz PYMZRVGOXIZMAN-KGLIPLIRSA-N 0 0 349.460 1.433 10 0 EDAERN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000152843629 442247278 /nfs/dbraw/zinc/24/72/78/442247278.db2.gz MNZNPGLIKQYFRR-RWMBFGLXSA-N 0 0 343.420 1.871 10 0 EDAERN CC[C@H](CCO)CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000176877508 442266158 /nfs/dbraw/zinc/26/61/58/442266158.db2.gz FPDCZLJQSWCZJU-OCCSQVGLSA-N 0 0 340.445 1.613 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)s1 ZINC000176950215 442276578 /nfs/dbraw/zinc/27/65/78/442276578.db2.gz UJWBIUGMZFPEJR-GFCCVEGCSA-N 0 0 326.447 1.810 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000153346135 442276984 /nfs/dbraw/zinc/27/69/84/442276984.db2.gz GZZRYCQXIFHLNK-LBPRGKRZSA-N 0 0 330.363 1.822 10 0 EDAERN COCc1cccc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000176999865 442282584 /nfs/dbraw/zinc/28/25/84/442282584.db2.gz PCDUUTFTWJEZHM-CQSZACIVSA-N 0 0 331.376 1.865 10 0 EDAERN COC(=O)Cn1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000177045906 442290025 /nfs/dbraw/zinc/29/00/25/442290025.db2.gz DBAVSTHKBGCAIV-CYBMUJFWSA-N 0 0 346.391 1.258 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@@H](C)C(=O)N[C@@H](C)CC)CC2)n1 ZINC000170943536 442292676 /nfs/dbraw/zinc/29/26/76/442292676.db2.gz XARIEACLESLXRT-ZFWWWQNUSA-N 0 0 349.479 1.609 10 0 EDAERN CC(C)CCC(=O)NCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000171197959 442325902 /nfs/dbraw/zinc/32/59/02/442325902.db2.gz ZSSVNAJVLLSUFF-ZDUSSCGKSA-N 0 0 335.452 1.385 10 0 EDAERN CN(CCN(C)c1ccccc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177360619 442331775 /nfs/dbraw/zinc/33/17/75/442331775.db2.gz KJBCIBRMEXKRSQ-HNNXBMFYSA-N 0 0 328.420 1.891 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCNC(=O)CC(C)C)C2)no1 ZINC000154374448 442336074 /nfs/dbraw/zinc/33/60/74/442336074.db2.gz GYBZVFWLFIPMRP-AWEZNQCLSA-N 0 0 336.436 1.712 10 0 EDAERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC(C)(O)CC1)C(=O)C2 ZINC000177523321 442353158 /nfs/dbraw/zinc/35/31/58/442353158.db2.gz KBBDOSMIVONMBP-LRDDRELGSA-N 0 0 329.462 1.558 10 0 EDAERN CSC[C@@H](C)NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000153889887 442309234 /nfs/dbraw/zinc/30/92/34/442309234.db2.gz UJCNLOQWUIVITE-GDBMZVCRSA-N 0 0 337.489 1.799 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](CO)CC(C)(C)C)CC2 ZINC000129468674 442317713 /nfs/dbraw/zinc/31/77/13/442317713.db2.gz ZVZGPSKEYUFIMM-CHWSQXEVSA-N 0 0 337.468 1.813 10 0 EDAERN CCc1nc(C2(NCc3csc(CC(=O)NC)n3)CCCC2)no1 ZINC000177657136 442367775 /nfs/dbraw/zinc/36/77/75/442367775.db2.gz URZKMGSHBKFGTI-UHFFFAOYSA-N 0 0 349.460 1.936 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CCS1 ZINC000171692273 442370668 /nfs/dbraw/zinc/37/06/68/442370668.db2.gz IPTJSFCOFXJQCB-AWEZNQCLSA-N 0 0 335.473 1.899 10 0 EDAERN CCC(CC)c1nnc(NC(=O)NC[C@H]2CN(C)CCO2)s1 ZINC000171706868 442372323 /nfs/dbraw/zinc/37/23/23/442372323.db2.gz VQLCZDCSBJAJGI-NSHDSACASA-N 0 0 327.454 1.894 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000177714821 442374831 /nfs/dbraw/zinc/37/48/31/442374831.db2.gz RNRVDAMBVRXGQT-CJNGLKHVSA-N 0 0 346.431 1.231 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CC(C)(C)CC(=O)OC)C1 ZINC000155135349 442377413 /nfs/dbraw/zinc/37/74/13/442377413.db2.gz OSIAFZZMCWSWLA-CYBMUJFWSA-N 0 0 336.436 1.983 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000155201938 442381174 /nfs/dbraw/zinc/38/11/74/442381174.db2.gz SQUYSHIJMSHVJE-ABAIWWIYSA-N 0 0 343.358 1.499 10 0 EDAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC[C@@H]1Cn1ccnc1 ZINC000177791524 442385467 /nfs/dbraw/zinc/38/54/67/442385467.db2.gz OSABGJAIHOPRGC-CYBMUJFWSA-N 0 0 326.356 1.519 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000171868487 442385975 /nfs/dbraw/zinc/38/59/75/442385975.db2.gz ALYIZXOAHSITDS-YPMHNXCESA-N 0 0 345.403 1.671 10 0 EDAERN O=C(c1ccc(-n2ccnc2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171882993 442387458 /nfs/dbraw/zinc/38/74/58/442387458.db2.gz PBNCDYNLZDQLOO-KRWDZBQOSA-N 0 0 337.383 1.610 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C(N)=O)ccc1C ZINC000177809922 442387660 /nfs/dbraw/zinc/38/76/60/442387660.db2.gz UMEMASUEZGEMQV-LBPRGKRZSA-N 0 0 328.376 1.650 10 0 EDAERN CCn1c(C)nnc1CN(CCO)Cc1ccc(OC)cc1OC ZINC000171978498 442395395 /nfs/dbraw/zinc/39/53/95/442395395.db2.gz HJMZHUMYDXYZQT-UHFFFAOYSA-N 0 0 334.420 1.618 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Nc3c(C)onc3CC)CCO2)[nH]1 ZINC000155434218 442398270 /nfs/dbraw/zinc/39/82/70/442398270.db2.gz QSXNFHMFWPYVRN-NSHDSACASA-N 0 0 334.380 1.831 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccccc3F)CCO2)[nH]1 ZINC000178012871 442401694 /nfs/dbraw/zinc/40/16/94/442401694.db2.gz GFPHNUWORBLNSJ-CYBMUJFWSA-N 0 0 333.367 1.789 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000171567751 442358111 /nfs/dbraw/zinc/35/81/11/442358111.db2.gz JZKVVNMJXGXQLH-AWEZNQCLSA-N 0 0 349.479 1.871 10 0 EDAERN C[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CCS1 ZINC000171572752 442358715 /nfs/dbraw/zinc/35/87/15/442358715.db2.gz PDFVTERFAJBAGN-SMDDNHRTSA-N 0 0 332.429 1.071 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)Cc3nc4ncccn4n3)C2)c1 ZINC000171583580 442359364 /nfs/dbraw/zinc/35/93/64/442359364.db2.gz ALPXDHRFKCVNPI-ZDUSSCGKSA-N 0 0 325.376 1.035 10 0 EDAERN CC[C@H](C)NC(=O)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000171598788 442361063 /nfs/dbraw/zinc/36/10/63/442361063.db2.gz KHNSXTMEKUVIST-GJZGRUSLSA-N 0 0 339.505 1.968 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(OCC(F)(F)F)nc1 ZINC000177613715 442363068 /nfs/dbraw/zinc/36/30/68/442363068.db2.gz UMRPZKYZQDAEBY-SNVBAGLBSA-N 0 0 341.293 1.879 10 0 EDAERN CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H](n3cncn3)C2)c1 ZINC000171615252 442363145 /nfs/dbraw/zinc/36/31/45/442363145.db2.gz DIYKZNFXSCGNRJ-HNNXBMFYSA-N 0 0 349.460 1.366 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCc1cnn(-c2ccccc2)c1)C(C)C ZINC000178422971 442432507 /nfs/dbraw/zinc/43/25/07/442432507.db2.gz RVJMJTZOAZYFBE-MRXNPFEDSA-N 0 0 343.431 1.485 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000172272200 442433439 /nfs/dbraw/zinc/43/34/39/442433439.db2.gz JIPWXUPTCNTQNG-ZDUSSCGKSA-N 0 0 334.420 1.360 10 0 EDAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000172256594 442431136 /nfs/dbraw/zinc/43/11/36/442431136.db2.gz OWGMDVWZIPSDKU-NSHDSACASA-N 0 0 332.809 1.760 10 0 EDAERN O=C(NCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000178489134 442438263 /nfs/dbraw/zinc/43/82/63/442438263.db2.gz VFBLPFNNXUEJKD-QFBILLFUSA-N 0 0 345.443 1.753 10 0 EDAERN COCCN1CCN(C(=O)NCCOc2cccc(F)c2)C[C@H]1C ZINC000172327420 442444532 /nfs/dbraw/zinc/44/45/32/442444532.db2.gz AUURRPAQQQMJAY-CQSZACIVSA-N 0 0 339.411 1.567 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCc2nccc(N)n2)[C@@H]1c1ccccc1 ZINC000178568094 442444570 /nfs/dbraw/zinc/44/45/70/442444570.db2.gz FVEQFMPJFYQSLL-GUYCJALGSA-N 0 0 339.399 1.285 10 0 EDAERN CCCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000178662414 442453591 /nfs/dbraw/zinc/45/35/91/442453591.db2.gz NLCASPTXSMQCMK-BZUAXINKSA-N 0 0 341.496 1.942 10 0 EDAERN COCCOc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000172398157 442454355 /nfs/dbraw/zinc/45/43/55/442454355.db2.gz MCIQOEFOBRIHQI-HNNXBMFYSA-N 0 0 344.415 1.856 10 0 EDAERN Cc1nc2ccccc2n1CCCNC(=O)N[C@H](C(N)=O)C(C)C ZINC000134476097 442486234 /nfs/dbraw/zinc/48/62/34/442486234.db2.gz SODRKUYEOPYCRL-HNNXBMFYSA-N 0 0 331.420 1.544 10 0 EDAERN CC(=O)NC1CN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000191731115 442500932 /nfs/dbraw/zinc/50/09/32/442500932.db2.gz DIZBAQAGMDXGFO-LJQANCHMSA-N 0 0 340.423 1.914 10 0 EDAERN CC(=O)NC1CN(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000191730646 442500985 /nfs/dbraw/zinc/50/09/85/442500985.db2.gz KVUUWDLRLXYKOI-UHFFFAOYSA-N 0 0 338.473 1.578 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000172604790 442502134 /nfs/dbraw/zinc/50/21/34/442502134.db2.gz XABWVTSIFASHGO-ZIAGYGMSSA-N 0 0 349.435 1.699 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)COc3c(C)nn(C)c3C)CCO2)cn1 ZINC000191777985 442508824 /nfs/dbraw/zinc/50/88/24/442508824.db2.gz CBTLSDZPWUWJPD-HNNXBMFYSA-N 0 0 347.419 1.232 10 0 EDAERN Cc1cc(NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n(C)n1 ZINC000172476042 442470736 /nfs/dbraw/zinc/47/07/36/442470736.db2.gz OFABOIGJSQYLEY-ZDUSSCGKSA-N 0 0 329.408 1.651 10 0 EDAERN O=C(NCCn1ccnc1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172505425 442476068 /nfs/dbraw/zinc/47/60/68/442476068.db2.gz HLFUDTKMUYPCPB-UHFFFAOYSA-N 0 0 340.387 1.556 10 0 EDAERN O=C(CCNC(=O)N1CCC(c2cc[nH]n2)CC1)N1CCCCC1 ZINC000172541339 442484810 /nfs/dbraw/zinc/48/48/10/442484810.db2.gz NJNBAIJAQVNQIY-UHFFFAOYSA-N 0 0 333.436 1.701 10 0 EDAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191911878 442538940 /nfs/dbraw/zinc/53/89/40/442538940.db2.gz NDUHXHFLPTYNOU-SRVKXCTJSA-N 0 0 328.434 1.874 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CCCC(=O)NC(C)C)C12CCOCC2 ZINC000186470409 442540778 /nfs/dbraw/zinc/54/07/78/442540778.db2.gz BRPUEJPHLVAVKC-CABCVRRESA-N 0 0 340.464 1.772 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1CC ZINC000180139892 442547760 /nfs/dbraw/zinc/54/77/60/442547760.db2.gz SAEOPQNQXTZMAF-OAHLLOKOSA-N 0 0 341.415 1.993 10 0 EDAERN CCc1nnc(CN2CCC(N(C)CC(=O)OC(C)(C)C)CC2)o1 ZINC000191982657 442553902 /nfs/dbraw/zinc/55/39/02/442553902.db2.gz VXCGDPNQDJGLRP-UHFFFAOYSA-N 0 0 338.452 1.870 10 0 EDAERN CCc1nnc(CN2CCC(N(C)CC(=O)OC(C)(C)C)CC2)[nH]1 ZINC000191985951 442555306 /nfs/dbraw/zinc/55/53/06/442555306.db2.gz YQIGDQVTDQMBBN-UHFFFAOYSA-N 0 0 337.468 1.605 10 0 EDAERN Cc1cccc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000157152625 442555313 /nfs/dbraw/zinc/55/53/13/442555313.db2.gz IFHOLQLCQREGGP-CQSZACIVSA-N 0 0 328.420 1.919 10 0 EDAERN Cc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1S(N)(=O)=O ZINC000172634696 442510951 /nfs/dbraw/zinc/51/09/51/442510951.db2.gz ZJWULOIHPBOKIO-ZIAGYGMSSA-N 0 0 338.429 1.426 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1cccnc1OCC(F)F)C(C)C ZINC000179944495 442521466 /nfs/dbraw/zinc/52/14/66/442521466.db2.gz MIQVXHKPDXOFLG-LLVKDONJSA-N 0 0 330.335 1.618 10 0 EDAERN COCCN1C[C@H](C(=O)N[C@H](C)COCc2ccccc2)CC1=O ZINC000172956899 442572701 /nfs/dbraw/zinc/57/27/01/442572701.db2.gz CBAIKOCKJKYVAH-GDBMZVCRSA-N 0 0 334.416 1.203 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135265170 442574314 /nfs/dbraw/zinc/57/43/14/442574314.db2.gz LADSPCRYHZBVSY-KBPBESRZSA-N 0 0 327.388 1.424 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000186623819 442576302 /nfs/dbraw/zinc/57/63/02/442576302.db2.gz SZRPSNALEJACAA-AWEZNQCLSA-N 0 0 343.383 1.671 10 0 EDAERN C[C@H](CCS(C)(=O)=O)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000135296209 442577206 /nfs/dbraw/zinc/57/72/06/442577206.db2.gz CROWYMFLIQVYGH-CYBMUJFWSA-N 0 0 342.465 1.128 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NOCc1ccc(F)cc1Br ZINC000186645344 442581323 /nfs/dbraw/zinc/58/13/23/442581323.db2.gz VCHOGIOQWFOIES-NXEZZACHSA-N 0 0 346.152 1.945 10 0 EDAERN COC(=O)c1ccc(-c2nnn(Cc3nnc(C(C)C)n3C)n2)cc1 ZINC000173036953 442591998 /nfs/dbraw/zinc/59/19/98/442591998.db2.gz COOJCNMXJGTVDZ-UHFFFAOYSA-N 0 0 341.375 1.427 10 0 EDAERN C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1nnc2n1CCCC2 ZINC000135404118 442592125 /nfs/dbraw/zinc/59/21/25/442592125.db2.gz BYLPEQXQYJRKQO-LLVKDONJSA-N 0 0 348.428 1.509 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000135417574 442593070 /nfs/dbraw/zinc/59/30/70/442593070.db2.gz KGDBQNNPUOYSCR-OLZOCXBDSA-N 0 0 328.420 1.847 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@](C)(OC)c1ccccc1F)CC2 ZINC000192119784 442596573 /nfs/dbraw/zinc/59/65/73/442596573.db2.gz PVGJDCQGXSVEIU-SGTLLEGYSA-N 0 0 346.406 1.972 10 0 EDAERN CC1(CNC(=O)N[C@@H]2CCc3ncnn3C2)Cc2ccccc2C1 ZINC000180458458 442605808 /nfs/dbraw/zinc/60/58/08/442605808.db2.gz CCTNFROTMPWGET-OAHLLOKOSA-N 0 0 325.416 1.697 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000186559447 442560804 /nfs/dbraw/zinc/56/08/04/442560804.db2.gz WITRAGYLPJHUIO-BBRMVZONSA-N 0 0 336.407 1.556 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCOC2CCCC2)C1 ZINC000192371740 442641903 /nfs/dbraw/zinc/64/19/03/442641903.db2.gz KUDLVKQPDBXXCT-UONOGXRCSA-N 0 0 338.408 1.809 10 0 EDAERN C[C@H](CCC(=O)N[C@@H]1CCc2ncnn2C1)NC(=O)OC(C)(C)C ZINC000192391344 442644425 /nfs/dbraw/zinc/64/44/25/442644425.db2.gz ZWPSCDJECGDNGO-VXGBXAGGSA-N 0 0 337.424 1.403 10 0 EDAERN CCOc1cc(/C=C/C(=O)NC[C@H](C)N2CCOCC2)ccc1O ZINC000179421929 442645784 /nfs/dbraw/zinc/64/57/84/442645784.db2.gz HUWXQEFNURIKLA-DYLGSBMWSA-N 0 0 334.416 1.641 10 0 EDAERN O=C(CNC(=O)c1cccc(F)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135715064 442626867 /nfs/dbraw/zinc/62/68/67/442626867.db2.gz VQDPAVRHUBOJEV-INIZCTEOSA-N 0 0 343.358 1.630 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)c1cccc(-n2ccnc2)c1 ZINC000173242447 442631340 /nfs/dbraw/zinc/63/13/40/442631340.db2.gz RYNHCKBOMDLUAO-ZFWWWQNUSA-N 0 0 341.415 1.853 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3ccc(C)c(O)c3)CC2)no1 ZINC000181064392 442678684 /nfs/dbraw/zinc/67/86/84/442678684.db2.gz ABVUCSVMORMMQU-UHFFFAOYSA-N 0 0 330.388 1.740 10 0 EDAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)c(C)n1-c1nccs1 ZINC000188063841 442706997 /nfs/dbraw/zinc/70/69/97/442706997.db2.gz OUGJMHZXJVEVHE-GFCCVEGCSA-N 0 0 332.429 1.901 10 0 EDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000187604915 442682251 /nfs/dbraw/zinc/68/22/51/442682251.db2.gz QILUDODRKKIYFJ-VHSXEESVSA-N 0 0 349.357 1.630 10 0 EDAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187593802 442682456 /nfs/dbraw/zinc/68/24/56/442682456.db2.gz ZLVGIDBAHHCLJE-UKMLZYKCSA-N 0 0 339.457 1.867 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000181207627 442684656 /nfs/dbraw/zinc/68/46/56/442684656.db2.gz KVBVBFSPXZXTRD-MRXNPFEDSA-N 0 0 343.431 1.997 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)[C@@H](C)C2 ZINC000181248036 442686211 /nfs/dbraw/zinc/68/62/11/442686211.db2.gz KMFRTFPFSUWBTF-BONVTDFDSA-N 0 0 334.397 1.899 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1ccc(C(N)=O)nc1)CC2 ZINC000181628028 442707380 /nfs/dbraw/zinc/70/73/80/442707380.db2.gz LDZLKHCWUIYGAS-NSHDSACASA-N 0 0 343.391 1.032 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC000187843324 442694817 /nfs/dbraw/zinc/69/48/17/442694817.db2.gz LONXYBTYIKZXLS-CHWSQXEVSA-N 0 0 329.400 1.055 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000188067449 442707433 /nfs/dbraw/zinc/70/74/33/442707433.db2.gz MBWGKTKXELBZQQ-ZDUSSCGKSA-N 0 0 345.443 1.451 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCCOCC1CC1)CC2 ZINC000181411701 442695829 /nfs/dbraw/zinc/69/58/29/442695829.db2.gz UZALDJHKEAWGPO-CQSZACIVSA-N 0 0 335.452 1.832 10 0 EDAERN Cc1cccc(CNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000181498084 442700636 /nfs/dbraw/zinc/70/06/36/442700636.db2.gz VZEAXMXKCIMXHT-AWEZNQCLSA-N 0 0 328.420 1.919 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000192967299 442702400 /nfs/dbraw/zinc/70/24/00/442702400.db2.gz XGNAMUFRHOJGFC-BPQIPLTHSA-N 0 0 328.412 1.647 10 0 EDAERN Cc1noc([C@@H](C)N2CCN([C@@H](C)c3nc(C)cc(=O)[nH]3)CC2)n1 ZINC000192576061 442665114 /nfs/dbraw/zinc/66/51/14/442665114.db2.gz ZQISFSPVYFHERR-NWDGAFQWSA-N 0 0 332.408 1.622 10 0 EDAERN OC[C@H]1C[C@H](O)CN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000187369893 442672623 /nfs/dbraw/zinc/67/26/23/442672623.db2.gz WVWAHFZSXSLNMM-ZJUUUORDSA-N 0 0 326.194 1.253 10 0 EDAERN CC(C)c1nnc(CN[C@H](CS(C)(=O)=O)c2ccccc2)n1C ZINC000181798434 442717403 /nfs/dbraw/zinc/71/74/03/442717403.db2.gz ITWHYEMGIMEYPG-CQSZACIVSA-N 0 0 336.461 1.814 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(F)c(F)cc1F ZINC000188199307 442723299 /nfs/dbraw/zinc/72/32/99/442723299.db2.gz TVOKEWQILYNFDI-CYBMUJFWSA-N 0 0 337.319 1.820 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2ccc[nH]2)ncn1 ZINC000188204452 442724083 /nfs/dbraw/zinc/72/40/83/442724083.db2.gz PYOFEOWTHBLXJV-UZYOAWRESA-N 0 0 326.404 1.645 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000193371814 442736650 /nfs/dbraw/zinc/73/66/50/442736650.db2.gz XAUSFRJTCBKKEP-SFHVURJKSA-N 0 0 334.460 1.551 10 0 EDAERN Cn1c(CN[C@H](CN2CCOCC2)c2ccccc2)nnc1C1CC1 ZINC000182116096 442736929 /nfs/dbraw/zinc/73/69/29/442736929.db2.gz FJTMOSRHURMKFJ-QGZVFWFLSA-N 0 0 341.459 1.856 10 0 EDAERN COc1ccccc1C[C@H](C)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193378925 442737554 /nfs/dbraw/zinc/73/75/54/442737554.db2.gz BBIIXMLFUULIFZ-APHBMKBZSA-N 0 0 334.416 1.066 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC2(c3ccc(F)cc3)CC2)C1 ZINC000188417145 442748175 /nfs/dbraw/zinc/74/81/75/442748175.db2.gz TYKAEXIKPYBPTL-UHFFFAOYSA-N 0 0 335.379 1.014 10 0 EDAERN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193503104 442749297 /nfs/dbraw/zinc/74/92/97/442749297.db2.gz RUALKGMNPIJDEG-KBRIMQKVSA-N 0 0 348.443 1.770 10 0 EDAERN CCS(=O)(=O)NCCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188089209 442709912 /nfs/dbraw/zinc/70/99/12/442709912.db2.gz PCZXWFGATWLXGB-KBPBESRZSA-N 0 0 332.491 1.085 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](O)CC(C)(C)C)CC2 ZINC000181709785 442711879 /nfs/dbraw/zinc/71/18/79/442711879.db2.gz WDZVFWMSDRKOAC-QWHCGFSZSA-N 0 0 337.468 1.813 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000193825360 442794095 /nfs/dbraw/zinc/79/40/95/442794095.db2.gz DIKHFWZEVOAJPF-DGCUDZEOSA-N 0 0 330.428 1.798 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C[C@H]1C ZINC000246617105 442796431 /nfs/dbraw/zinc/79/64/31/442796431.db2.gz CTEFVDKJECQEHB-KGLIPLIRSA-N 0 0 346.406 1.539 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@@H](C)C(C)C)ccc1N1CCOCC1 ZINC000182667179 442802884 /nfs/dbraw/zinc/80/28/84/442802884.db2.gz YUBDLFUAAILTAB-AWEZNQCLSA-N 0 0 333.432 1.931 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)N[C@H](C)C(C)C)n1C ZINC000182395314 442763251 /nfs/dbraw/zinc/76/32/51/442763251.db2.gz GFIJITVFTSEAQK-LLVKDONJSA-N 0 0 330.454 1.014 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000247056376 442832557 /nfs/dbraw/zinc/83/25/57/442832557.db2.gz NUUICPKILXZAPI-KBPBESRZSA-N 0 0 345.443 1.027 10 0 EDAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)Oc1ccccc1F ZINC000188876581 442833508 /nfs/dbraw/zinc/83/35/08/442833508.db2.gz AQJDSIGOFJVAHK-LBPRGKRZSA-N 0 0 349.406 1.903 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1cc(F)ccc1Br ZINC000188915505 442842037 /nfs/dbraw/zinc/84/20/37/442842037.db2.gz BQDUXHPQQCXCLZ-SECBINFHSA-N 0 0 343.196 1.868 10 0 EDAERN Cc1cnn(CCNC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)c1 ZINC000189047224 442866702 /nfs/dbraw/zinc/86/67/02/442866702.db2.gz CHYPTOZPRSMNCJ-GJZGRUSLSA-N 0 0 343.431 1.630 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000189078475 442872279 /nfs/dbraw/zinc/87/22/79/442872279.db2.gz DKANQVUUNGHNIG-SNVBAGLBSA-N 0 0 337.786 1.770 10 0 EDAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000183078515 442875216 /nfs/dbraw/zinc/87/52/16/442875216.db2.gz COQUVNXBXWFZNA-ZFWWWQNUSA-N 0 0 348.447 1.684 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1C ZINC000189107693 442879183 /nfs/dbraw/zinc/87/91/83/442879183.db2.gz DVGTUJUAOJQEIW-AWEZNQCLSA-N 0 0 344.419 1.381 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000180048296 318464548 /nfs/dbraw/zinc/46/45/48/318464548.db2.gz WUFGSFVJPYQMMU-UHFFFAOYSA-N 0 0 342.733 1.878 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000248410388 442890082 /nfs/dbraw/zinc/89/00/82/442890082.db2.gz GWVMUZZFYQPDHX-XJFOESAGSA-N 0 0 335.452 1.972 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](CCO)CC(C)C)CC1 ZINC000181881677 318491845 /nfs/dbraw/zinc/49/18/45/318491845.db2.gz ZKHCIKKYVURGJV-CVEARBPZSA-N 0 0 329.485 1.129 10 0 EDAERN O=C(CN1CCCCC1=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000194523130 442910440 /nfs/dbraw/zinc/91/04/40/442910440.db2.gz BXRZUUAXQBDXGY-ZDUSSCGKSA-N 0 0 336.413 1.034 10 0 EDAERN CCCN(CCC)C(=O)CS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182392211 318505166 /nfs/dbraw/zinc/50/51/66/318505166.db2.gz ZQWKVNMJQZQTKL-UHFFFAOYSA-N 0 0 344.481 1.502 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000189340018 442925277 /nfs/dbraw/zinc/92/52/77/442925277.db2.gz MXTNLVPBMICEFF-LLVKDONJSA-N 0 0 341.358 1.115 10 0 EDAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189377745 442933119 /nfs/dbraw/zinc/93/31/19/442933119.db2.gz AJCWPIOWGUMDKW-UHFFFAOYSA-N 0 0 341.415 1.671 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)n1C ZINC000194699602 442939599 /nfs/dbraw/zinc/93/95/99/442939599.db2.gz JTLJAMXDTYMBQJ-INIZCTEOSA-N 0 0 331.351 1.484 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000248947032 442939686 /nfs/dbraw/zinc/93/96/86/442939686.db2.gz AQENZIKBUCIQFC-ONCHEJIZSA-N 0 0 338.408 1.805 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCC2(CO)CCCC2)C12CCOCC2 ZINC000185668517 318546367 /nfs/dbraw/zinc/54/63/67/318546367.db2.gz CQOHMJRUUYOKAN-HUUCEWRRSA-N 0 0 340.464 1.813 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)[C@H](C)OCc2ccccc2)n1 ZINC000186602559 318551118 /nfs/dbraw/zinc/55/11/18/318551118.db2.gz YMBKEZOTJYUANL-WFASDCNBSA-N 0 0 331.372 1.883 10 0 EDAERN C[C@H](NC(=O)NCc1cccc(CS(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000194867083 442962861 /nfs/dbraw/zinc/96/28/61/442962861.db2.gz CXNGAOAWYXWVPO-SWLSCSKDSA-N 0 0 340.445 1.598 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000189474917 442963115 /nfs/dbraw/zinc/96/31/15/442963115.db2.gz IAXGRBVTGGKCIM-OAHLLOKOSA-N 0 0 333.432 1.157 10 0 EDAERN CSc1nc(C)c(CCC(=O)N2CC(NC(=O)C3CC3)C2)c(C)n1 ZINC000189475160 442963747 /nfs/dbraw/zinc/96/37/47/442963747.db2.gz NOKFBMDOJPSYGL-UHFFFAOYSA-N 0 0 348.472 1.485 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCC(=O)NCC1CC1 ZINC000183778858 442964189 /nfs/dbraw/zinc/96/41/89/442964189.db2.gz IUDMFIMNIWTIFM-AWEZNQCLSA-N 0 0 333.436 1.410 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(N3CCOCC3)cn2)c1 ZINC000194886131 442964970 /nfs/dbraw/zinc/96/49/70/442964970.db2.gz RESZDVDAQGTQNB-UHFFFAOYSA-N 0 0 330.392 1.245 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@H]1C ZINC000249555425 442987223 /nfs/dbraw/zinc/98/72/23/442987223.db2.gz JNIVYCBVGAYWMT-ZJUUUORDSA-N 0 0 332.326 1.023 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1C[C@@H](O)C1(C)C)C(C)C ZINC000250067354 443010559 /nfs/dbraw/zinc/01/05/59/443010559.db2.gz NPVYDSSLVLRLNL-XHSDSOJGSA-N 0 0 348.443 1.725 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000252442277 443023204 /nfs/dbraw/zinc/02/32/04/443023204.db2.gz RSXYDKWVBSKKHU-CABCVRRESA-N 0 0 347.463 1.125 10 0 EDAERN COc1ccccc1N1CC[C@H](CNC(=O)N2CC(NC(C)=O)C2)C1 ZINC000189966099 443039638 /nfs/dbraw/zinc/03/96/38/443039638.db2.gz CLZOHZUIHGEIAF-CQSZACIVSA-N 0 0 346.431 1.051 10 0 EDAERN COCCN1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000190331395 443086475 /nfs/dbraw/zinc/08/64/75/443086475.db2.gz ZEDCHDKOYWRBAZ-ZDUSSCGKSA-N 0 0 341.402 1.869 10 0 EDAERN CCc1ccc(CNC(=O)N2CCN(C[C@H](O)CC)CC2)s1 ZINC000184858471 443087277 /nfs/dbraw/zinc/08/72/77/443087277.db2.gz FZDMUIZTOCOGOO-CYBMUJFWSA-N 0 0 325.478 1.909 10 0 EDAERN CN1CCN(c2ncc(NC(=O)COc3ccccc3)cn2)CC1 ZINC000224253160 443097635 /nfs/dbraw/zinc/09/76/35/443097635.db2.gz NSDRYPIJKLYATE-UHFFFAOYSA-N 0 0 327.388 1.246 10 0 EDAERN NC(=O)c1cccc(-c2cc(O)c(=O)[nH]c2-c2cccc(C(N)=O)c2)c1 ZINC000210828192 443051960 /nfs/dbraw/zinc/05/19/60/443051960.db2.gz BLHXVKNYTSYRIV-UHFFFAOYSA-N 0 0 349.346 1.612 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000184670669 443056620 /nfs/dbraw/zinc/05/66/20/443056620.db2.gz YASVNTTZUUOSBN-ZIAGYGMSSA-N 0 0 343.387 1.414 10 0 EDAERN COc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000224265802 443098321 /nfs/dbraw/zinc/09/83/21/443098321.db2.gz KFERZTWHSHUTID-UHFFFAOYSA-N 0 0 342.403 1.881 10 0 EDAERN C[C@H](C(=O)Nc1ccccc1Br)N1C[C@H](O)C[C@@H]1CO ZINC000184734065 443069155 /nfs/dbraw/zinc/06/91/55/443069155.db2.gz WUZSUXWKXMSGLS-GMTAPVOTSA-N 0 0 343.221 1.204 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CO)Cc1ccccc1C ZINC000190242906 443075984 /nfs/dbraw/zinc/07/59/84/443075984.db2.gz CNYRRBMNPIAKSZ-HZPDHXFCSA-N 0 0 343.431 1.633 10 0 EDAERN C/C=C/C[C@H](CO)NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000185096178 443135581 /nfs/dbraw/zinc/13/55/81/443135581.db2.gz DHILEUJSQLDICB-SDEBIZQBSA-N 0 0 338.429 1.531 10 0 EDAERN CN1CCSC[C@H]1c1nsc(I)n1 ZINC000234365006 443138099 /nfs/dbraw/zinc/13/80/99/443138099.db2.gz XDSLRKXLYJKBHN-YFKPBYRVSA-N 0 0 327.216 1.862 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)s1 ZINC000190566250 443138410 /nfs/dbraw/zinc/13/84/10/443138410.db2.gz MNGMZXSNWWUPMC-NSHDSACASA-N 0 0 348.432 1.489 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)c1cn(CC2(C)COC2)nn1 ZINC000184979090 443110469 /nfs/dbraw/zinc/11/04/69/443110469.db2.gz LRVKNTWJHBVNIY-AWEZNQCLSA-N 0 0 344.415 1.650 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000190446673 443111095 /nfs/dbraw/zinc/11/10/95/443111095.db2.gz PUZLNSRBOHFZSY-ZETCQYMHSA-N 0 0 331.235 1.961 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccnc(OCc3ccccc3)c2)C1 ZINC000190508004 443123161 /nfs/dbraw/zinc/12/31/61/443123161.db2.gz OKRUUPHSRYKOGC-UHFFFAOYSA-N 0 0 325.368 1.621 10 0 EDAERN CC(C)Cc1nc(CO[C@H]2CCCN(C(=O)Cn3ccnc3)C2)no1 ZINC000257195045 443123550 /nfs/dbraw/zinc/12/35/50/443123550.db2.gz VGRMNBFAROKRFA-AWEZNQCLSA-N 0 0 347.419 1.672 10 0 EDAERN COc1ccnc(CN2CCC(N(C)c3cccnn3)CC2)c1OC ZINC000190521021 443126829 /nfs/dbraw/zinc/12/68/29/443126829.db2.gz MICSVQGNGZWYJZ-UHFFFAOYSA-N 0 0 343.431 1.990 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2sc3cccc(F)c3c2C)C1 ZINC000185227616 443165304 /nfs/dbraw/zinc/16/53/04/443165304.db2.gz OIMWMUBXYZODMA-UHFFFAOYSA-N 0 0 336.388 1.936 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2occc2COc2ccccc2)C1 ZINC000185269110 443173800 /nfs/dbraw/zinc/17/38/00/443173800.db2.gz QZFFXDUOZIXPKK-UHFFFAOYSA-N 0 0 344.367 1.446 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCOc2ccccc2C(C)C)C1 ZINC000185293048 443177554 /nfs/dbraw/zinc/17/75/54/443177554.db2.gz PNJRAWXYHHSYQB-UHFFFAOYSA-N 0 0 334.416 1.552 10 0 EDAERN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000191028898 443228171 /nfs/dbraw/zinc/22/81/71/443228171.db2.gz UYJCSGQLBATBLN-IBGZPJMESA-N 0 0 347.459 1.885 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(=O)OC)C2)CC[N@@H+]1CCOC ZINC000245456492 443229628 /nfs/dbraw/zinc/22/96/28/443229628.db2.gz IXXJGMWWVVAXNC-HRCADAONSA-N 0 0 340.464 1.535 10 0 EDAERN CCC[C@](C)(CO)NC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000185677471 443237421 /nfs/dbraw/zinc/23/74/21/443237421.db2.gz WALXLCUFPSVVLK-OFQRWUPVSA-N 0 0 328.453 1.811 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCCCSC)CC2 ZINC000185440529 443199730 /nfs/dbraw/zinc/19/97/30/443199730.db2.gz FGPIFLCPXFCWBW-LBPRGKRZSA-N 0 0 325.482 1.988 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000190868988 443200364 /nfs/dbraw/zinc/20/03/64/443200364.db2.gz WLZFADCUXLNXNJ-NSHDSACASA-N 0 0 336.816 1.229 10 0 EDAERN FC(F)(F)Cn1nnnc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000190904772 443206985 /nfs/dbraw/zinc/20/69/85/443206985.db2.gz NNOFIHWLLGOODQ-NSHDSACASA-N 0 0 341.341 1.564 10 0 EDAERN CCn1cc(C(=O)C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)cn1 ZINC000245681356 443243674 /nfs/dbraw/zinc/24/36/74/443243674.db2.gz VHTRWTVAKPPQPK-UBHSHLNASA-N 0 0 333.388 1.418 10 0 EDAERN CCN(C)c1ccc(CN[C@H]2CCCn3nc(COC)nc32)cn1 ZINC000191332448 443279682 /nfs/dbraw/zinc/27/96/82/443279682.db2.gz HVBWNKLNCWOURC-AWEZNQCLSA-N 0 0 330.436 1.900 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000191347578 443281851 /nfs/dbraw/zinc/28/18/51/443281851.db2.gz RXKKHLOMIQXTRD-UHFFFAOYSA-N 0 0 343.305 1.077 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(c3cccnc3)=NO2)cn1 ZINC000191244653 443264766 /nfs/dbraw/zinc/26/47/66/443264766.db2.gz GOSPWUMUNSIBRR-HOTGVXAUSA-N 0 0 325.372 1.672 10 0 EDAERN O=C(NCCc1cccc(C(F)(F)F)n1)N1C[C@H](F)C[C@H]1CO ZINC000458802087 320342040 /nfs/dbraw/zinc/34/20/40/320342040.db2.gz ORBGKHMSJOBJOY-KOLCDFICSA-N 0 0 335.301 1.757 10 0 EDAERN Cc1cccn(CC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c1=O ZINC000328612599 444393181 /nfs/dbraw/zinc/39/31/81/444393181.db2.gz PJENSTRFRBQJRV-ZDUSSCGKSA-N 0 0 346.387 1.263 10 0 EDAERN CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)Cc1ccc[nH]1)CC2 ZINC000356027656 445576884 /nfs/dbraw/zinc/57/68/84/445576884.db2.gz XIAUZZYUGUETMR-CYBMUJFWSA-N 0 0 343.431 1.271 10 0 EDAERN O=C(c1ccccc1Cc1ccccc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000372945425 445936476 /nfs/dbraw/zinc/93/64/76/445936476.db2.gz DGZFELBUWWSYSO-FQEVSTJZSA-N 0 0 349.390 1.702 10 0 EDAERN CCc1noc([C@]2(O)CCN(C(=O)c3cccc4c3OCO4)C2)n1 ZINC000373081374 446013994 /nfs/dbraw/zinc/01/39/94/446013994.db2.gz STRLQTWGYFQXGK-INIZCTEOSA-N 0 0 331.328 1.094 10 0 EDAERN COC(=O)Cc1cc([N+](=O)[O-])cc(I)c1N ZINC000575638599 447878811 /nfs/dbraw/zinc/87/88/11/447878811.db2.gz DAWVAFWGTUVRJN-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN O=S(=O)(c1cccc2ccccc21)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000583616290 448442703 /nfs/dbraw/zinc/44/27/03/448442703.db2.gz CDDLMIDWYVLZOM-MRXNPFEDSA-N 0 0 344.396 1.240 10 0 EDAERN Cn1cc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)cn1 ZINC000583616745 448443732 /nfs/dbraw/zinc/44/37/32/448443732.db2.gz MGPWJRBRZKJHAN-RBSFLKMASA-N 0 0 327.450 1.514 10 0 EDAERN O=C(CCc1cccc(F)c1F)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617786 448444701 /nfs/dbraw/zinc/44/47/01/448444701.db2.gz RXDPBXLVMCWDMC-INIZCTEOSA-N 0 0 336.342 1.526 10 0 EDAERN CO[C@@H](C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000583623113 448452652 /nfs/dbraw/zinc/45/26/52/448452652.db2.gz OMFGTDGECMFZHI-IHRRRGAJSA-N 0 0 326.416 1.216 10 0 EDAERN OC[C@@H]1O[C@@H](c2ccc(I)cc2)CO[C@H]1O ZINC000584608971 448585136 /nfs/dbraw/zinc/58/51/36/448585136.db2.gz MDZXDSVIIIMTSE-HBNTYKKESA-N 0 0 336.125 1.058 10 0 EDAERN CCOC[C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@H]1c1cnn(C)c1 ZINC000585655637 448737307 /nfs/dbraw/zinc/73/73/07/448737307.db2.gz PGFQTRIKQNBIQO-ZFWWWQNUSA-N 0 0 331.420 1.598 10 0 EDAERN CCn1c(C)nnc1Cn1cc(I)ccc1=O ZINC000596309168 449467294 /nfs/dbraw/zinc/46/72/94/449467294.db2.gz QRGKHYXJFKYONE-UHFFFAOYSA-N 0 0 344.156 1.421 10 0 EDAERN CN1C[C@@H](CNC(=O)c2cc(F)ccc2Br)CC1=O ZINC000619011482 450378743 /nfs/dbraw/zinc/37/87/43/450378743.db2.gz GREJRPPCTQOPGG-MRVPVSSYSA-N 0 0 329.169 1.796 10 0 EDAERN CN1C(=O)NC(=O)C[C@@H]1Cc1ccc(I)cc1 ZINC000616589356 450453761 /nfs/dbraw/zinc/45/37/61/450453761.db2.gz XJIJZCMZLGWKQW-JTQLQIEISA-N 0 0 344.152 1.774 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@@H]1c1cccc2ccnnc21 ZINC000616585443 450453912 /nfs/dbraw/zinc/45/39/12/450453912.db2.gz PWCNUMJVLBTCBK-QGZVFWFLSA-N 0 0 340.408 1.781 10 0 EDAERN CCOC(=O)c1cccc([C@@H]2CCCN(S(N)(=O)=O)CC2)c1 ZINC000616630442 450456259 /nfs/dbraw/zinc/45/62/59/450456259.db2.gz YHLGPYKLUABFOH-GFCCVEGCSA-N 0 0 326.418 1.636 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC000619315185 450457441 /nfs/dbraw/zinc/45/74/41/450457441.db2.gz NNKRSWAWFXRETI-SWLSCSKDSA-N 0 0 325.372 1.575 10 0 EDAERN Nc1cc([C@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)ccn1 ZINC000616657499 450457792 /nfs/dbraw/zinc/45/77/92/450457792.db2.gz BWNXFHPJKKFVBJ-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN CC(C)C[C@H](C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1)N1CCCCC1=O ZINC000616773515 450481687 /nfs/dbraw/zinc/48/16/87/450481687.db2.gz XZQDMCDJPSXWLP-AIANPOQGSA-N 0 0 348.447 1.101 10 0 EDAERN Cn1cc(O[C@@H]2CN(C(=O)c3c[nH]c(C(F)(F)F)c3)C[C@H]2O)cn1 ZINC000628263064 451200905 /nfs/dbraw/zinc/20/09/05/451200905.db2.gz KMUJFAKVSVDJJN-GHMZBOCLSA-N 0 0 344.293 1.031 10 0 EDAERN CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CCOC[C@@H]1O ZINC000629236002 451610131 /nfs/dbraw/zinc/61/01/31/451610131.db2.gz MCQYBYVUNIXMOX-PWSUYJOCSA-N 0 0 331.210 1.711 10 0 EDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cccc(Br)c1Cl ZINC000629245880 451616305 /nfs/dbraw/zinc/61/63/05/451616305.db2.gz QZCXDBYLZJKJOW-UWVGGRQHSA-N 0 0 334.597 1.982 10 0 EDAERN C[C@H](CNC(=O)c1cccc(OCC(F)F)n1)N1CCOCC1 ZINC000089707953 491197922 /nfs/dbraw/zinc/19/79/22/491197922.db2.gz QIBKYRJUKBRINF-LLVKDONJSA-N 0 0 329.347 1.176 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3nc(C)sc3C)CC2)no1 ZINC000123903126 491207822 /nfs/dbraw/zinc/20/78/22/491207822.db2.gz SQRHIAJLOMVJIU-UHFFFAOYSA-N 0 0 349.460 1.728 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)CC[C@@H]3CCCO3)CCCC2)no1 ZINC000123102700 491001839 /nfs/dbraw/zinc/00/18/39/491001839.db2.gz PZNZGICUMCFUBE-LBPRGKRZSA-N 0 0 343.449 1.890 10 0 EDAERN COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@@H](C)C(C)C ZINC000183387322 533842803 /nfs/dbraw/zinc/84/28/03/533842803.db2.gz RIIJOTFMXZAITH-QMMMGPOBSA-N 0 0 328.315 1.851 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC(O)(c3ccccc3)CC2)c1 ZINC000184947505 534743958 /nfs/dbraw/zinc/74/39/58/534743958.db2.gz LAPOOFBPBOKRLX-UHFFFAOYSA-N 0 0 328.416 1.885 10 0 EDAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CC[C@H](N2CCOCC2)C1 ZINC000173767788 534842656 /nfs/dbraw/zinc/84/26/56/534842656.db2.gz JGUVYFRTYFSAQL-HNNXBMFYSA-N 0 0 344.415 1.510 10 0 EDAERN O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173999074 534872799 /nfs/dbraw/zinc/87/27/99/534872799.db2.gz LSSJBBCRVLLPKL-SNVBAGLBSA-N 0 0 336.866 1.497 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000246193690 534895321 /nfs/dbraw/zinc/89/53/21/534895321.db2.gz WADUJSSTINXKIC-UPJWGTAASA-N 0 0 349.435 1.923 10 0 EDAERN CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000248011626 534895442 /nfs/dbraw/zinc/89/54/42/534895442.db2.gz PJGQBFBFPYLPKF-NVXWUHKLSA-N 0 0 334.416 1.182 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]21 ZINC000248514606 534896057 /nfs/dbraw/zinc/89/60/57/534896057.db2.gz NQIMGMLFBLHHQW-IACUBPJLSA-N 0 0 334.420 1.714 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCSCc2ccccc2F)C1 ZINC000189731052 526708756 /nfs/dbraw/zinc/70/87/56/526708756.db2.gz KHQVARZDCOCLKV-UHFFFAOYSA-N 0 0 325.409 1.589 10 0 EDAERN CC(=O)N[C@@H]1CCN(c2cccc(Br)c2C(N)=S)C1 ZINC000168792054 526863358 /nfs/dbraw/zinc/86/33/58/526863358.db2.gz LMDFHGIKSBPJNC-SECBINFHSA-N 0 0 342.262 1.798 10 0 EDAERN CCCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000184127101 527899794 /nfs/dbraw/zinc/89/97/94/527899794.db2.gz XXLZGZOAROCWQA-GFCCVEGCSA-N 0 0 338.404 1.978 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(=O)n(CC)c2)C12CCOCC2 ZINC000185936910 527924621 /nfs/dbraw/zinc/92/46/21/527924621.db2.gz DQDWZWJDUWGXJL-LSDHHAIUSA-N 0 0 349.431 1.964 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000184235301 528484470 /nfs/dbraw/zinc/48/44/70/528484470.db2.gz RWWJTDPMSSXACT-HNNXBMFYSA-N 0 0 329.404 1.707 10 0 EDAERN CCN(CCO)C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175053428 528525474 /nfs/dbraw/zinc/52/54/74/528525474.db2.gz UDDMRILGFJANMP-KGLIPLIRSA-N 0 0 341.477 1.534 10 0 EDAERN CCOc1cccc(CCNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187640098 528635968 /nfs/dbraw/zinc/63/59/68/528635968.db2.gz SMLLZTNCUZJOMU-UHFFFAOYSA-N 0 0 331.416 1.548 10 0 EDAERN CC(C)Cn1ncnc1Cn1cnc(Cl)c(Br)c1=O ZINC000164873714 528765022 /nfs/dbraw/zinc/76/50/22/528765022.db2.gz PSWYMXFTYREMKI-UHFFFAOYSA-N 0 0 346.616 1.955 10 0 EDAERN CCCNC(=O)CCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116778026 535017277 /nfs/dbraw/zinc/01/72/77/535017277.db2.gz MWQMOCJSSRNDRI-HNNXBMFYSA-N 0 0 335.452 1.440 10 0 EDAERN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000066403976 535773871 /nfs/dbraw/zinc/77/38/71/535773871.db2.gz RGOSKCHBVRPOPZ-BZUAXINKSA-N 0 0 348.443 1.784 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190675503 535878144 /nfs/dbraw/zinc/87/81/44/535878144.db2.gz SWDKFRCVCBDVQG-LBPRGKRZSA-N 0 0 331.416 1.487 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@](C)(O)c1ccsc1)CC2 ZINC000155179690 536164006 /nfs/dbraw/zinc/16/40/06/536164006.db2.gz WYFAWPDVZJEOOT-WBMJQRKESA-N 0 0 349.460 1.424 10 0 EDAERN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000245732576 536168866 /nfs/dbraw/zinc/16/88/66/536168866.db2.gz WGZWQNHUZKACDE-RYUDHWBXSA-N 0 0 342.486 1.850 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1nn(-c2ccccc2)c(C)cc1=O)C(C)C ZINC000178865982 536382088 /nfs/dbraw/zinc/38/20/88/536382088.db2.gz OEYDKPMOOXPIKX-OAHLLOKOSA-N 0 0 342.399 1.041 10 0 EDAERN CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O ZINC000004097940 560195089 /nfs/dbraw/zinc/19/50/89/560195089.db2.gz KDORDIOOUCRJPK-PAFIYYKWSA-N 0 0 346.379 1.130 10 0 biogenic,in-vitro EDAERN CCc1noc(CC)c1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093710 591023069 /nfs/dbraw/zinc/02/30/69/591023069.db2.gz PKGRELSMDYKSJM-GOEBONIOSA-N 0 0 348.403 1.038 10 0 EDAERN COC(=O)N[C@H](C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1)C(C)C ZINC000899079777 591670135 /nfs/dbraw/zinc/67/01/35/591670135.db2.gz YCKVTTJTTXEMKA-JSGCOSHPSA-N 0 0 335.408 1.310 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)CCN1C[C@@H](C)O ZINC000897303680 591822071 /nfs/dbraw/zinc/82/20/71/591822071.db2.gz ROJJFRXRLFFRLA-NEPJUHHUSA-N 0 0 334.395 1.619 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000115390019 595563289 /nfs/dbraw/zinc/56/32/89/595563289.db2.gz FAINRNZGDIJQMB-ZDUSSCGKSA-N 0 0 345.274 1.875 10 0 EDAERN Cn1cc([C@@H]2CCN(Cn3nc(-c4ccccc4)oc3=O)C2)cn1 ZINC000116258251 595862734 /nfs/dbraw/zinc/86/27/34/595862734.db2.gz GOKBTRMWEZCJGE-CQSZACIVSA-N 0 0 325.372 1.684 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3ncn(C4CC4)c3=S)CCO2)c1 ZINC000112072117 596016715 /nfs/dbraw/zinc/01/67/15/596016715.db2.gz MXJIMBRPPASNSL-AWEZNQCLSA-N 0 0 334.449 1.612 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3)CCO2)c1 ZINC000112093638 596021966 /nfs/dbraw/zinc/02/19/66/596021966.db2.gz JHSYKRDXZLXOAQ-PYUISTEWSA-N 0 0 347.440 1.893 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCC[S@@](=O)C(C)(C)C)C(C)C ZINC000112299319 596103074 /nfs/dbraw/zinc/10/30/74/596103074.db2.gz IZRYVYFREFKHGT-FPTDNZKUSA-N 0 0 332.510 1.837 10 0 EDAERN CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)/C=C/c1ccccc1 ZINC000112708321 596212193 /nfs/dbraw/zinc/21/21/93/596212193.db2.gz USUFAHSLFUAZMQ-NHAQELONSA-N 0 0 331.459 1.742 10 0 EDAERN O=C(NC[C@@H]1CCCS1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000127000838 597591764 /nfs/dbraw/zinc/59/17/64/597591764.db2.gz TZXFLUWYEKZVCW-DLBZAZTESA-N 0 0 349.500 1.943 10 0 EDAERN Cn1cc([C@H]2[C@H](C(=O)OCC(C)(C)CC#N)CCC(=O)N2C)cn1 ZINC000184764754 698185634 /nfs/dbraw/zinc/18/56/34/698185634.db2.gz DTNITAQQUINHRR-HIFRSBDPSA-N 0 0 332.404 1.813 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCC1(C)OCCO1)CC2 ZINC000185059896 698884779 /nfs/dbraw/zinc/88/47/79/698884779.db2.gz HPAWREDSIPEUTO-LBPRGKRZSA-N 0 0 337.424 1.169 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@](C)(O)c1ccccc1Cl)C(C)C ZINC000184246781 703082871 /nfs/dbraw/zinc/08/28/71/703082871.db2.gz XGOICSQEWKTCLI-CJNGLKHVSA-N 0 0 341.839 1.617 10 0 EDAERN CO[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(N)cc1Br ZINC000050368245 214054463 /nfs/dbraw/zinc/05/44/63/214054463.db2.gz USDARPBNFQCWHB-MNOVXSKESA-N 0 0 349.250 1.877 10 0 EDAERN Nc1ncc(S(=O)(=O)Nc2ccc(F)cc2Br)cn1 ZINC000050650189 214063265 /nfs/dbraw/zinc/06/32/65/214063265.db2.gz QOJRWZHTXVOOTA-UHFFFAOYSA-N 0 0 347.169 1.761 10 0 EDAERN CCCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NCC ZINC000050652649 214063629 /nfs/dbraw/zinc/06/36/29/214063629.db2.gz OCXQHTFTKJFBOE-UHFFFAOYSA-N 0 0 334.463 1.552 10 0 EDAERN CC(C)C[C@@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050653640 214064957 /nfs/dbraw/zinc/06/49/57/214064957.db2.gz RXGNFYQLHOKBAB-SNVBAGLBSA-N 0 0 334.463 1.385 10 0 EDAERN CCCNc1cc(C(=O)N2CCS(=O)(=O)CC2)cc(Cl)n1 ZINC000050755871 214069452 /nfs/dbraw/zinc/06/94/52/214069452.db2.gz SRJAQESGSMLNRP-UHFFFAOYSA-N 0 0 331.825 1.428 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1c[nH]nc1-c1c(F)cccc1F ZINC000125689836 222594966 /nfs/dbraw/zinc/59/49/66/222594966.db2.gz BRQYNQWPSQJQLO-SECBINFHSA-N 0 0 344.325 1.691 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC000052974637 214157334 /nfs/dbraw/zinc/15/73/34/214157334.db2.gz JNMZDIJNXOWAIZ-HOTGVXAUSA-N 0 0 332.400 1.666 10 0 EDAERN Cc1cc(N2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)no1 ZINC000062613112 214725280 /nfs/dbraw/zinc/72/52/80/214725280.db2.gz LDLPVJCQWHSTTQ-UHFFFAOYSA-N 0 0 335.429 1.943 10 0 EDAERN CC[N@H+](C)CCn1c(SCC(=O)[O-])nc2sccc2c1=O ZINC000054131221 214217720 /nfs/dbraw/zinc/21/77/20/214217720.db2.gz QZMBEZATEUDJKU-UHFFFAOYSA-N 0 0 327.431 1.586 10 0 EDAERN Cc1nnc(-c2cccc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)c2)o1 ZINC000173749842 231022020 /nfs/dbraw/zinc/02/20/20/231022020.db2.gz WMIFIXRYIXVOIB-CQSZACIVSA-N 0 0 328.372 1.738 10 0 EDAERN Cc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173875707 231057270 /nfs/dbraw/zinc/05/72/70/231057270.db2.gz RBQGPXGJORNUQP-ZYHUDNBSSA-N 0 0 326.828 1.175 10 0 EDAERN CCc1noc2ncc(C(=O)N3C[C@H](N4CCOCC4)[C@@H](C)C3)cc12 ZINC000173877562 231058513 /nfs/dbraw/zinc/05/85/13/231058513.db2.gz MAXATOJVVBVDIG-LRDDRELGSA-N 0 0 344.415 1.578 10 0 EDAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000173923826 231071968 /nfs/dbraw/zinc/07/19/68/231071968.db2.gz JDGWBBRTNHXQOD-GJZGRUSLSA-N 0 0 335.423 1.868 10 0 EDAERN Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174053204 231109618 /nfs/dbraw/zinc/10/96/18/231109618.db2.gz VEWSBGSFGFAMBV-CYBMUJFWSA-N 0 0 336.436 1.910 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000055997042 214352905 /nfs/dbraw/zinc/35/29/05/214352905.db2.gz NLIHSOXLWZSOQZ-SNVBAGLBSA-N 0 0 330.363 1.980 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Nc3nnc(C)s3)CC2)no1 ZINC000174545289 231237982 /nfs/dbraw/zinc/23/79/82/231237982.db2.gz NQYAWQAGWKDRQY-UHFFFAOYSA-N 0 0 337.409 1.278 10 0 EDAERN C[C@H](NC(=O)[C@H]1CN(C)CCO1)c1cccc(Br)c1 ZINC000174566890 231244131 /nfs/dbraw/zinc/24/41/31/231244131.db2.gz DAYDEVOSKGJJSW-GXFFZTMASA-N 0 0 327.222 1.957 10 0 EDAERN Cc1ccc([C@H](CNC(=O)N[C@H](C)CO)N2CCOCC2)s1 ZINC000174983955 231360422 /nfs/dbraw/zinc/36/04/22/231360422.db2.gz NIKGKSWCKQTWLZ-YPMHNXCESA-N 0 0 327.450 1.110 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)CCOC(C)C ZINC000175107376 231385287 /nfs/dbraw/zinc/38/52/87/231385287.db2.gz XSJWPPVZYVZXGD-AWEZNQCLSA-N 0 0 329.466 1.929 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000187390592 529605943 /nfs/dbraw/zinc/60/59/43/529605943.db2.gz ABWSUKSNVLQSOX-GDBMZVCRSA-N 0 0 338.473 1.590 10 0 EDAERN COc1cc(OC)cc(C(=O)NC[C@H]2Oc3ccccc3NC2=O)c1 ZINC000049738963 214030608 /nfs/dbraw/zinc/03/06/08/214030608.db2.gz GIGPKRNVNHEBOG-MRXNPFEDSA-N 0 0 342.351 1.833 10 0 EDAERN C[C@H](O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000098075714 219079144 /nfs/dbraw/zinc/07/91/44/219079144.db2.gz SZZIDJAAFZPJOP-GXTWGEPZSA-N 0 0 332.425 1.586 10 0 EDAERN CCN(CCO)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000098075312 219079524 /nfs/dbraw/zinc/07/95/24/219079524.db2.gz KRIQBLJMFRVQQB-CQSZACIVSA-N 0 0 326.824 1.935 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](C)c3ccccn3)CCO2)[nH]1 ZINC000177870343 529699228 /nfs/dbraw/zinc/69/92/28/529699228.db2.gz HGGDCJVNJWUIJO-AAEUAGOBSA-N 0 0 330.392 1.606 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccc(OC)cc3)CCO2)[nH]1 ZINC000130022038 529700956 /nfs/dbraw/zinc/70/09/56/529700956.db2.gz LXKGYUWOAXDBDL-CQSZACIVSA-N 0 0 345.403 1.659 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC)c2)C1 ZINC000130868793 529760096 /nfs/dbraw/zinc/76/00/96/529760096.db2.gz VVIJESNFMYZYMR-CQSZACIVSA-N 0 0 344.419 1.464 10 0 EDAERN CCc1nc2cc(NC(=O)C(=O)N3CCC[C@H]3C(=O)NC)ccc2o1 ZINC000166887386 529747936 /nfs/dbraw/zinc/74/79/36/529747936.db2.gz CAWFZCBZCIPAID-LBPRGKRZSA-N 0 0 344.371 1.066 10 0 EDAERN CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1ccccc1F)CC2 ZINC000174085381 529751065 /nfs/dbraw/zinc/75/10/65/529751065.db2.gz FWPAIDBZUAZCHP-MEDUHNTESA-N 0 0 332.379 1.798 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCOC3(CCCCC3)C1)CC2 ZINC000174969597 529751289 /nfs/dbraw/zinc/75/12/89/529751289.db2.gz OONHBGQMOXHITD-CQSZACIVSA-N 0 0 347.463 1.900 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)CC2 ZINC000159262119 529751291 /nfs/dbraw/zinc/75/12/91/529751291.db2.gz ZNABWIDZOLUTRP-ZWNOBZJWSA-N 0 0 330.436 1.805 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000153419743 529766925 /nfs/dbraw/zinc/76/69/25/529766925.db2.gz RLMZAHLOLOVJLE-NSHDSACASA-N 0 0 336.827 1.780 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000130285636 529789710 /nfs/dbraw/zinc/78/97/10/529789710.db2.gz MGSWJMJUOQDMTJ-LLVKDONJSA-N 0 0 334.807 1.791 10 0 EDAERN CN(CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000168727251 529837037 /nfs/dbraw/zinc/83/70/37/529837037.db2.gz QIFKIYYRYGMOLV-LLVKDONJSA-N 0 0 338.351 1.168 10 0 EDAERN O=C(NCc1cnn(-c2ccccc2)c1)N[C@@H]1CCCn2ncnc21 ZINC000177373876 231873569 /nfs/dbraw/zinc/87/35/69/231873569.db2.gz WQSDSVWVBSETEK-OAHLLOKOSA-N 0 0 337.387 1.798 10 0 EDAERN CCOC(=O)CNC(=O)N1CCc2nc(-c3ccccc3)ncc2C1 ZINC000065169010 214836366 /nfs/dbraw/zinc/83/63/66/214836366.db2.gz OSFFTMFWYSQRTJ-UHFFFAOYSA-N 0 0 340.383 1.774 10 0 EDAERN CN(Cc1cnccn1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179490909 530016669 /nfs/dbraw/zinc/01/66/69/530016669.db2.gz FZTSVXRXBLJOTD-NVXWUHKLSA-N 0 0 342.374 1.794 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCc2ccc(=O)[nH]c2)[C@@H]1c1ccc(F)cc1 ZINC000135141241 530044529 /nfs/dbraw/zinc/04/45/29/530044529.db2.gz LCUOQNKMQUJLEN-PBHICJAKSA-N 0 0 343.358 1.762 10 0 EDAERN COC[C@H](O)CN(C)S(=O)(=O)c1ccccc1Br ZINC000047952289 213878351 /nfs/dbraw/zinc/87/83/51/213878351.db2.gz NFVYGOPQDCHAPY-SECBINFHSA-N 0 0 338.223 1.077 10 0 EDAERN CN(Cc1csc(Br)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000042363259 213498866 /nfs/dbraw/zinc/49/88/66/213498866.db2.gz PRLGGYNARWMFLU-IUCAKERBSA-N 0 0 340.264 1.100 10 0 EDAERN CC(=O)Nc1ccc(-c2csc(CCNS(C)(=O)=O)n2)cc1 ZINC000041265455 213435995 /nfs/dbraw/zinc/43/59/95/213435995.db2.gz BWQUQLSWMGPQAU-UHFFFAOYSA-N 0 0 339.442 1.860 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)N1CCCCC1 ZINC000041247736 213435049 /nfs/dbraw/zinc/43/50/49/213435049.db2.gz PDEJHJKXEVMQEB-QWRGUYRKSA-N 0 0 349.353 1.057 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(F)ccc3O)C2=O)n(C)n1 ZINC000179658411 233285958 /nfs/dbraw/zinc/28/59/58/233285958.db2.gz XGMSSQTTXGTGIU-CYBMUJFWSA-N 0 0 346.362 1.499 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000127008418 222779650 /nfs/dbraw/zinc/77/96/50/222779650.db2.gz KXWNGFXVBLLCEF-QWRGUYRKSA-N 0 0 329.393 1.620 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2nnc(-c3ccncc3)o2)cc1 ZINC000041135007 213423320 /nfs/dbraw/zinc/42/33/20/213423320.db2.gz WDVRDPMFRWZJNM-UHFFFAOYSA-N 0 0 330.369 1.919 10 0 EDAERN O=S(=O)(N[C@@H]1CCC[C@H](OCC(F)(F)F)C1)c1cn[nH]c1 ZINC000040830398 213391436 /nfs/dbraw/zinc/39/14/36/213391436.db2.gz XWNJNKXSOPZISE-BDAKNGLRSA-N 0 0 327.328 1.578 10 0 EDAERN Cc1cc(C)n(CCCNS(=O)(=O)c2cnc(Cl)nc2)n1 ZINC000040691145 213369049 /nfs/dbraw/zinc/36/90/49/213369049.db2.gz ZKPLWZITQOKPBZ-UHFFFAOYSA-N 0 0 329.813 1.312 10 0 EDAERN CN1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2N)C1 ZINC000040672255 213367199 /nfs/dbraw/zinc/36/71/99/213367199.db2.gz MUULSPPJLQBGAL-JTQLQIEISA-N 0 0 348.266 1.404 10 0 EDAERN COCCS(=O)(=O)NC[C@H](c1ccco1)N1CCC(C)CC1 ZINC000040654240 213365643 /nfs/dbraw/zinc/36/56/43/213365643.db2.gz PDMKIMNFBKKKRN-CQSZACIVSA-N 0 0 330.450 1.618 10 0 EDAERN O=C(c1c(F)cccc1Cl)N1CCO[C@H]2CS(=O)(=O)C[C@H]21 ZINC000040624873 213361437 /nfs/dbraw/zinc/36/14/37/213361437.db2.gz DFQYGHRNIGTGKH-MNOVXSKESA-N 0 0 333.768 1.117 10 0 EDAERN COc1ccc([C@H](CNS(C)(=O)=O)N2CCCC2)cc1OC ZINC000040616579 213359466 /nfs/dbraw/zinc/35/94/66/213359466.db2.gz FVFQCPNKGFAKQC-ZDUSSCGKSA-N 0 0 328.434 1.390 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000180597324 233919639 /nfs/dbraw/zinc/91/96/39/233919639.db2.gz DKAMYILCWCGVQF-OCCSQVGLSA-N 0 0 328.372 1.435 10 0 EDAERN Cc1ccc([C@H]2CCCCN2C(=O)NCC(=O)N2CCOCC2)o1 ZINC000181859594 234355954 /nfs/dbraw/zinc/35/59/54/234355954.db2.gz AIODBYOYXDDJCN-CQSZACIVSA-N 0 0 335.404 1.683 10 0 EDAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)C1=NNC(=O)CC1 ZINC000040436924 213304064 /nfs/dbraw/zinc/30/40/64/213304064.db2.gz GDTCJTZXSMGFBV-SECBINFHSA-N 0 0 338.205 1.762 10 0 EDAERN C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cccs1 ZINC000183457828 235088094 /nfs/dbraw/zinc/08/80/94/235088094.db2.gz NROWZYHYOJCBMH-WDEREUQCSA-N 0 0 331.463 1.484 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000175691762 540097929 /nfs/dbraw/zinc/09/79/29/540097929.db2.gz IVWKXPMSPDGSRJ-NSHDSACASA-N 0 0 339.351 1.317 10 0 EDAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000177946743 540107484 /nfs/dbraw/zinc/10/74/84/540107484.db2.gz GSLXWDUAXPSSNE-UHFFFAOYSA-N 0 0 342.403 1.361 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@H](C)Cc1ccc(OC)cc1)C(C)C ZINC000179205252 540115728 /nfs/dbraw/zinc/11/57/28/540115728.db2.gz WQPONBZSQZQMHM-CZUORRHYSA-N 0 0 335.448 1.944 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185919446 540149811 /nfs/dbraw/zinc/14/98/11/540149811.db2.gz VBRCKRQBMAXILJ-JSGCOSHPSA-N 0 0 349.435 1.389 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000188008831 540156998 /nfs/dbraw/zinc/15/69/98/540156998.db2.gz VCUWFDMSVIQICB-CQSZACIVSA-N 0 0 328.372 1.103 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000184292899 235357897 /nfs/dbraw/zinc/35/78/97/235357897.db2.gz OWKSHFSPAJTURN-GFCCVEGCSA-N 0 0 334.420 1.603 10 0 EDAERN COCCOc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000105854922 219562063 /nfs/dbraw/zinc/56/20/63/219562063.db2.gz HRVGEMLJECAJBR-HNNXBMFYSA-N 0 0 330.388 1.781 10 0 EDAERN CC[S@@](=O)c1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105853788 219562383 /nfs/dbraw/zinc/56/23/83/219562383.db2.gz LAJKSEKVHHSFKL-ZLOXQWCVSA-N 0 0 332.429 1.883 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NC1CCCCC1 ZINC000058889657 138161326 /nfs/dbraw/zinc/16/13/26/138161326.db2.gz LAUFASHZPDYZTJ-CYBMUJFWSA-N 0 0 346.431 1.762 10 0 EDAERN CCO[C@@H](CCNC(=O)NC[C@@H](C)N1CCOCC1)C1CCCC1 ZINC000083178336 138268797 /nfs/dbraw/zinc/26/87/97/138268797.db2.gz SEJMIDSPILICDV-WBVHZDCISA-N 0 0 341.496 1.992 10 0 EDAERN COc1ccc(CCCNC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000079481120 138261523 /nfs/dbraw/zinc/26/15/23/138261523.db2.gz YKZVPXPCFZPBMI-INIZCTEOSA-N 0 0 333.432 1.938 10 0 EDAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1-c1ccccc1Cl ZINC000091780615 138284861 /nfs/dbraw/zinc/28/48/61/138284861.db2.gz KQPCAWZRGBOYAU-CQSZACIVSA-N 0 0 348.790 1.160 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)NC(C1CC1)C1CC1 ZINC000105799433 138301816 /nfs/dbraw/zinc/30/18/16/138301816.db2.gz SPPMARKPRGQENY-UHFFFAOYSA-N 0 0 329.448 1.294 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000120562276 138316150 /nfs/dbraw/zinc/31/61/50/138316150.db2.gz UFEJBIJTDUSCQD-CYBMUJFWSA-N 0 0 332.383 1.304 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000185817349 235758856 /nfs/dbraw/zinc/75/88/56/235758856.db2.gz TUZJVORKGSXBJE-UHFFFAOYSA-N 0 0 327.331 1.281 10 0 EDAERN C[C@H](NC(=O)CNC(=O)c1cccnc1)c1cccc(-n2ccnc2)c1 ZINC000123605389 138319657 /nfs/dbraw/zinc/31/96/57/138319657.db2.gz YNMOIFIRLZBCHI-AWEZNQCLSA-N 0 0 349.394 1.875 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1S(C)(=O)=O ZINC000123618932 138319955 /nfs/dbraw/zinc/31/99/55/138319955.db2.gz DBKWSOOFQLCZQS-NSHDSACASA-N 0 0 326.418 1.498 10 0 EDAERN C[C@H](CNC(=O)N1CCC(Cn2cccn2)CC1)Cn1cccn1 ZINC000124177419 138324387 /nfs/dbraw/zinc/32/43/87/138324387.db2.gz KIIRCINXDDXMEL-OAHLLOKOSA-N 0 0 330.436 1.838 10 0 EDAERN CCOCCS(=O)(=O)NCC(=O)N[C@H]1CCCc2ccccc21 ZINC000125184857 138332656 /nfs/dbraw/zinc/33/26/56/138332656.db2.gz CKCFSTDUIQBUHQ-HNNXBMFYSA-N 0 0 340.445 1.136 10 0 EDAERN CCS(=O)(=O)NCCCN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000132071247 138370627 /nfs/dbraw/zinc/37/06/27/138370627.db2.gz FNOZKGNLHIITPA-GFCCVEGCSA-N 0 0 330.454 1.659 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CSCCS1 ZINC000132561931 138379003 /nfs/dbraw/zinc/37/90/03/138379003.db2.gz HERZNBSXQXMGLU-MNOVXSKESA-N 0 0 341.506 1.823 10 0 EDAERN Cc1noc(CCCC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000133468471 138393958 /nfs/dbraw/zinc/39/39/58/138393958.db2.gz XZPUIPFEYCHFMP-GFCCVEGCSA-N 0 0 332.408 1.547 10 0 EDAERN COc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)c1 ZINC000036106916 213069232 /nfs/dbraw/zinc/06/92/32/213069232.db2.gz MVTVWQZHNHQXOA-KRWDZBQOSA-N 0 0 347.459 1.614 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)Cc2cccc(C)c2)C[C@@H]1C ZINC000036124296 213071956 /nfs/dbraw/zinc/07/19/56/213071956.db2.gz LRVUXPQMKBTKFC-IYBDPMFKSA-N 0 0 340.489 1.866 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CSCc1cccnc1 ZINC000155121565 138530562 /nfs/dbraw/zinc/53/05/62/138530562.db2.gz WGUOHJCGXKCRHO-ZDUSSCGKSA-N 0 0 347.444 1.704 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)CCOc2cccc(N)c2)C[C@H](C)S1 ZINC000070491926 215698942 /nfs/dbraw/zinc/69/89/42/215698942.db2.gz VAXZLRDCGYNRER-TXEJJXNPSA-N 0 0 330.475 1.803 10 0 EDAERN CC(C)N(CCO)S(=O)(=O)c1ccc(Br)cc1N ZINC000036131144 213071448 /nfs/dbraw/zinc/07/14/48/213071448.db2.gz BZBRRWCMGDYXKR-UHFFFAOYSA-N 0 0 337.239 1.423 10 0 EDAERN COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCO3)CCN2C)cc1OC ZINC000036132856 213071455 /nfs/dbraw/zinc/07/14/55/213071455.db2.gz YXFXBSWDJGAJST-HOCLYGCPSA-N 0 0 334.416 1.698 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)(C)CO1 ZINC000036102415 213067733 /nfs/dbraw/zinc/06/77/33/213067733.db2.gz JSHPPJLUKPGVDD-LBPRGKRZSA-N 0 0 340.445 1.576 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)CCCNC(=O)c2ccccc2)CC1 ZINC000106395693 219636721 /nfs/dbraw/zinc/63/67/21/219636721.db2.gz JEKRBACQWHBKCJ-QGZVFWFLSA-N 0 0 347.459 1.112 10 0 EDAERN Cn1nccc1C1CCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CC1 ZINC000187862804 236320358 /nfs/dbraw/zinc/32/03/58/236320358.db2.gz FVPPLSRUWAJABK-QGZVFWFLSA-N 0 0 339.399 1.714 10 0 EDAERN Cc1cc(NC(=O)CSC[C@@H]([NH3+])C(=O)[O-])ccc1Br ZINC000035082776 213006947 /nfs/dbraw/zinc/00/69/47/213006947.db2.gz NXVJXUUHPKCESP-SNVBAGLBSA-N 0 0 347.234 1.841 10 0 EDAERN O=C(NCCNC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccco1 ZINC000172535035 138665550 /nfs/dbraw/zinc/66/55/50/138665550.db2.gz PPATULHOAXXYEC-UHFFFAOYSA-N 0 0 331.376 1.322 10 0 EDAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000034959283 213002458 /nfs/dbraw/zinc/00/24/58/213002458.db2.gz BLBCLQBATORCJQ-HTRCEHHLSA-N 0 0 333.207 1.691 10 0 EDAERN CCOC(=O)CCN(Cc1ccc(S(N)(=O)=O)cc1)C(=O)CC ZINC000071602520 215788043 /nfs/dbraw/zinc/78/80/43/215788043.db2.gz QRGCXROMLLNDDY-UHFFFAOYSA-N 0 0 342.417 1.026 10 0 EDAERN COC(=O)CCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(C)C ZINC000071635748 215791694 /nfs/dbraw/zinc/79/16/94/215791694.db2.gz GXHURLVUKVIFOF-LBPRGKRZSA-N 0 0 346.383 1.471 10 0 EDAERN Cc1cc2c([nH]c(SCC(=O)N3CCOCC3)nc2=O)s1 ZINC000071514573 215783629 /nfs/dbraw/zinc/78/36/29/215783629.db2.gz QHPVJDLRQMTPOQ-UHFFFAOYSA-N 0 0 325.415 1.244 10 0 EDAERN C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1ccc(F)cc1 ZINC000175113438 138691678 /nfs/dbraw/zinc/69/16/78/138691678.db2.gz NYHZVHOUCROEPH-AAEUAGOBSA-N 0 0 333.367 1.499 10 0 EDAERN CC(C)(C)OC(=O)N(CC(=O)N[C@H]1CCCn2ncnc21)CC1CC1 ZINC000175716447 138699104 /nfs/dbraw/zinc/69/91/04/138699104.db2.gz UWUDHEHAXSEAHG-ZDUSSCGKSA-N 0 0 349.435 1.876 10 0 EDAERN CCOC(=O)NCCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176418695 138708688 /nfs/dbraw/zinc/70/86/88/138708688.db2.gz WGHIUQAFMIMKDD-CYBMUJFWSA-N 0 0 349.435 1.804 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1CSCCS1)CC2 ZINC000176520678 138710077 /nfs/dbraw/zinc/71/00/77/138710077.db2.gz INMZLPKAWCGLPG-WDEREUQCSA-N 0 0 341.506 1.303 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000177135788 138723660 /nfs/dbraw/zinc/72/36/60/138723660.db2.gz WVBXRYWLMUYKKP-CYBMUJFWSA-N 0 0 343.383 1.528 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)c1 ZINC000179364341 138751627 /nfs/dbraw/zinc/75/16/27/138751627.db2.gz UTKMDBGGDFDQPU-UHFFFAOYSA-N 0 0 339.808 1.700 10 0 EDAERN CCCCNc1nc(NC2CC2)nc(Oc2ccc(=O)n(C)n2)n1 ZINC000032604505 212816446 /nfs/dbraw/zinc/81/64/46/212816446.db2.gz XVABDSPSGQSISQ-UHFFFAOYSA-N 0 0 331.380 1.544 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccnn2-c2cc(C)ccn2)c1 ZINC000189859345 237323955 /nfs/dbraw/zinc/32/39/55/237323955.db2.gz PPCWREZJDCACMS-UHFFFAOYSA-N 0 0 325.376 1.902 10 0 EDAERN Cc1ccccc1CS(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176991145 237365530 /nfs/dbraw/zinc/36/55/30/237365530.db2.gz DFPNWCKLURNMJS-DOTOQJQBSA-N 0 0 338.473 1.477 10 0 EDAERN O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCOCC1 ZINC000000220569 209492653 /nfs/dbraw/zinc/49/26/53/209492653.db2.gz AECAMBLODDTRBL-SNVBAGLBSA-N 0 0 326.755 1.691 10 0 EDAERN CCOC(=O)c1cc2c(nc1N)n(Cc1ccccc1)c(=O)[nH]c2=O ZINC000072417090 216206786 /nfs/dbraw/zinc/20/67/86/216206786.db2.gz KDWMAJWVVOQUOU-UHFFFAOYSA-N 0 0 340.339 1.304 10 0 EDAERN C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1N ZINC000037929606 213173630 /nfs/dbraw/zinc/17/36/30/213173630.db2.gz CDLCALSDDOLKAP-MRVPVSSYSA-N 0 0 335.223 1.441 10 0 EDAERN O=c1c2nnc3nc(C(F)(F)F)nn3c2ccn1-c1ccccc1 ZINC000072452212 216239609 /nfs/dbraw/zinc/23/96/09/216239609.db2.gz DCPGDLGETCUVJU-UHFFFAOYSA-N 0 0 332.245 1.842 10 0 EDAERN CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000129971098 223108946 /nfs/dbraw/zinc/10/89/46/223108946.db2.gz LFKNVLLIYSNCIP-GHMZBOCLSA-N 0 0 349.460 1.609 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)COc3c(C)nn(C)c3C)C2)c1 ZINC000131353852 223225672 /nfs/dbraw/zinc/22/56/72/223225672.db2.gz IDDJKXFGCJBGEQ-OAHLLOKOSA-N 0 0 331.420 1.784 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1ccncc1OC)CC2 ZINC000187179009 138824020 /nfs/dbraw/zinc/82/40/20/138824020.db2.gz APCDXJXMGZRQGX-NEPJUHHUSA-N 0 0 344.419 1.619 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000190850068 238765481 /nfs/dbraw/zinc/76/54/81/238765481.db2.gz OFHPNSNCKSFXCJ-HOCLYGCPSA-N 0 0 334.416 1.481 10 0 EDAERN Cc1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)ccc1-n1cncn1 ZINC000188541144 138844435 /nfs/dbraw/zinc/84/44/35/138844435.db2.gz RCUVTHRHOUWFMD-UHFFFAOYSA-N 0 0 339.399 1.316 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000188925501 138856060 /nfs/dbraw/zinc/85/60/60/138856060.db2.gz JVYQFUGSMSLIIQ-GFCCVEGCSA-N 0 0 346.818 1.935 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCCNC(=O)[C@H]3C)cc2F)n1 ZINC000188887196 138854767 /nfs/dbraw/zinc/85/47/67/138854767.db2.gz SVYAWIFHZWWJKJ-CYBMUJFWSA-N 0 0 344.390 1.979 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000172370325 291320679 /nfs/dbraw/zinc/32/06/79/291320679.db2.gz NWWNSPRTPPIURZ-AWEZNQCLSA-N 0 0 332.331 1.835 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000189232196 138864769 /nfs/dbraw/zinc/86/47/69/138864769.db2.gz YHXAXNZICIAOHA-TZMCWYRMSA-N 0 0 329.356 1.625 10 0 EDAERN O=C(Cn1ncn2nc3c(c2c1=O)CCCC3)Nc1cccc(F)c1 ZINC000021718348 212243024 /nfs/dbraw/zinc/24/30/24/212243024.db2.gz RFOPQLHUOTZGHM-UHFFFAOYSA-N 0 0 341.346 1.548 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000076075938 216704654 /nfs/dbraw/zinc/70/46/54/216704654.db2.gz CPSLDNVHLXHMDN-BLLLJJGKSA-N 0 0 331.416 1.594 10 0 EDAERN Cc1cccc(OC[C@@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000190396166 138890384 /nfs/dbraw/zinc/89/03/84/138890384.db2.gz NAUVOBLYIHGBEL-CYBMUJFWSA-N 0 0 331.416 1.682 10 0 EDAERN CC(C)(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614071 212154523 /nfs/dbraw/zinc/15/45/23/212154523.db2.gz WHOWLFXSJTUQMS-AWEZNQCLSA-N 0 0 334.416 1.951 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cc(C(C)C)n(C)n3)CCO2)cn1 ZINC000191790016 138924265 /nfs/dbraw/zinc/92/42/65/138924265.db2.gz LOQFVHDWADRQCN-INIZCTEOSA-N 0 0 331.420 1.974 10 0 EDAERN O=C(c1ccoc1Cl)N1CCN(c2ccc3nncn3n2)CC1 ZINC000192392378 138943781 /nfs/dbraw/zinc/94/37/81/138943781.db2.gz SKEQFZFIVLKJER-UHFFFAOYSA-N 0 0 332.751 1.333 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cc(C)sn1 ZINC000193551895 138972093 /nfs/dbraw/zinc/97/20/93/138972093.db2.gz FNOIALOPNWVMSY-LBPRGKRZSA-N 0 0 332.447 1.699 10 0 EDAERN Cc1nnnn1-c1cccc(NC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077677730 216952930 /nfs/dbraw/zinc/95/29/30/216952930.db2.gz OFEDFFZVVZYHSH-IUODEOHRSA-N 0 0 330.392 1.643 10 0 EDAERN CC/C(=C\C(=O)N1CCO[C@@H]2CS(=O)(=O)C[C@H]21)c1ccccc1 ZINC000040666226 213367006 /nfs/dbraw/zinc/36/70/06/213367006.db2.gz BATXHRGZRXCFDW-ROCUKZSVSA-N 0 0 335.425 1.504 10 0 EDAERN COc1ccccc1-n1ncc(C(=O)NC[C@H]2CN(C)CCO2)c1C ZINC000195152950 139008002 /nfs/dbraw/zinc/00/80/02/139008002.db2.gz CENXNEDYRBSWHS-AWEZNQCLSA-N 0 0 344.415 1.250 10 0 EDAERN CSC1(CNC(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)CC1 ZINC000195159169 139008309 /nfs/dbraw/zinc/00/83/09/139008309.db2.gz AZAPAXBFXILZHR-AWEZNQCLSA-N 0 0 338.477 1.806 10 0 EDAERN CCCCOC[C@@H](O)CN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000195191731 139009583 /nfs/dbraw/zinc/00/95/83/139009583.db2.gz BKNHDDYSRFLMLE-GOEBONIOSA-N 0 0 328.840 1.808 10 0 EDAERN O=C(Nc1cc(Cl)ccc1F)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176106072 284277547 /nfs/dbraw/zinc/27/75/47/284277547.db2.gz WXZLVIAMXOUHGG-JTQLQIEISA-N 0 0 337.742 1.660 10 0 EDAERN CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000195296280 139012865 /nfs/dbraw/zinc/01/28/65/139012865.db2.gz YNHLDDKKBVWZEQ-UKRRQHHQSA-N 0 0 340.445 1.218 10 0 EDAERN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195505971 139018548 /nfs/dbraw/zinc/01/85/48/139018548.db2.gz VZCLCLURFNZAAG-INIZCTEOSA-N 0 0 348.447 1.533 10 0 EDAERN CN(C(=O)CS(=O)(=O)c1nc2ccc(N)cc2s1)C1CC1 ZINC000049306890 214000619 /nfs/dbraw/zinc/00/06/19/214000619.db2.gz FVMGPCOSTFYQQK-UHFFFAOYSA-N 0 0 325.415 1.273 10 0 EDAERN CC[C@@H](OC)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1 ZINC000049423724 214006955 /nfs/dbraw/zinc/00/69/55/214006955.db2.gz DXBGFFXDHUKWIZ-GFCCVEGCSA-N 0 0 343.221 1.688 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CCC(=O)Nc1ccc(F)cc1 ZINC000195519911 139019726 /nfs/dbraw/zinc/01/97/26/139019726.db2.gz WEVSPAXAJAWYRC-UHFFFAOYSA-N 0 0 339.392 1.986 10 0 EDAERN Cc1ccc(C)c(S(=O)(=O)NCCc2nn3cnnc3s2)c1 ZINC000049722324 214029127 /nfs/dbraw/zinc/02/91/27/214029127.db2.gz XRVYSAUUERSYJW-UHFFFAOYSA-N 0 0 337.430 1.324 10 0 EDAERN O=S(=O)(NCCc1nn2cnnc2s1)c1ccc(Cl)cc1 ZINC000049722319 214029245 /nfs/dbraw/zinc/02/92/45/214029245.db2.gz SXXOCCXOSPOWRN-UHFFFAOYSA-N 0 0 343.821 1.360 10 0 EDAERN CN(C(=O)c1sc2cnccc2c1N)[C@@H]1CCS(=O)(=O)C1 ZINC000135923629 223612671 /nfs/dbraw/zinc/61/26/71/223612671.db2.gz SIAWJOWCCLOZMC-MRVPVSSYSA-N 0 0 325.415 1.138 10 0 EDAERN COCCn1c(CO)nnc1-c1cc(F)cc(Br)c1 ZINC000136214943 223634253 /nfs/dbraw/zinc/63/42/53/223634253.db2.gz TZVPTMUCLOJGHF-UHFFFAOYSA-N 0 0 330.157 1.985 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)OCC(F)(F)F)C2)c1 ZINC000110728360 220061654 /nfs/dbraw/zinc/06/16/54/220061654.db2.gz DROBBGCSQJXWAX-LLVKDONJSA-N 0 0 348.325 1.644 10 0 EDAERN CC(C)(C)CC(=O)NCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110878177 220074188 /nfs/dbraw/zinc/07/41/88/220074188.db2.gz WDFXGMSZAOZFHE-NSHDSACASA-N 0 0 325.434 1.595 10 0 EDAERN CC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111360303 220145430 /nfs/dbraw/zinc/14/54/30/220145430.db2.gz YDWSYWHLLYKQPI-HNNXBMFYSA-N 0 0 349.412 1.175 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000081476461 217403568 /nfs/dbraw/zinc/40/35/68/217403568.db2.gz XINQMXSOTKGQRV-HOTGVXAUSA-N 0 0 333.432 1.787 10 0 EDAERN COC[C@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000111852411 220210066 /nfs/dbraw/zinc/21/00/66/220210066.db2.gz SDIJUCOHEHKECN-SJORKVTESA-N 0 0 344.415 1.681 10 0 EDAERN CO[C@H](C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)c1ccccc1 ZINC000112060968 220236041 /nfs/dbraw/zinc/23/60/41/220236041.db2.gz YLCJFYDEQMGUPS-IRXDYDNUSA-N 0 0 329.400 1.807 10 0 EDAERN COCCN1CCN([C@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1C ZINC000245718117 139084264 /nfs/dbraw/zinc/08/42/64/139084264.db2.gz ABROYDOSTPCAMF-QAPCUYQASA-N 0 0 349.450 1.974 10 0 EDAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@@H](n2cncn2)C1 ZINC000245827367 139087065 /nfs/dbraw/zinc/08/70/65/139087065.db2.gz PFGMSLLEMLCTNG-VXGBXAGGSA-N 0 0 334.811 1.991 10 0 EDAERN CN1CCc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3CO)cc21 ZINC000245966739 139091412 /nfs/dbraw/zinc/09/14/12/139091412.db2.gz ZDTDDBKCXZALSS-DZGCQCFKSA-N 0 0 331.416 1.285 10 0 EDAERN O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000246063291 139093548 /nfs/dbraw/zinc/09/35/48/139093548.db2.gz ZJOBCPFFPDFZOR-MJVIPROJSA-N 0 0 334.322 1.474 10 0 EDAERN C[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246145649 139096576 /nfs/dbraw/zinc/09/65/76/139096576.db2.gz DYQAQIMDUDDKTF-IUODEOHRSA-N 0 0 347.864 1.336 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246588228 139113925 /nfs/dbraw/zinc/11/39/25/139113925.db2.gz GMQHZJLYGQQWNA-HZMBPMFUSA-N 0 0 345.852 1.633 10 0 EDAERN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC[C@@H](N2CCOCC2)C1 ZINC000246922214 139127172 /nfs/dbraw/zinc/12/71/72/139127172.db2.gz JBTRFERVCYETNR-GOEBONIOSA-N 0 0 335.423 1.868 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)CN2CC[C@@H](N3CCOCC3)C2)cc1C ZINC000246897632 139125977 /nfs/dbraw/zinc/12/59/77/139125977.db2.gz HLEBCANTFZWMGF-PKOBYXMFSA-N 0 0 345.487 1.887 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1CC ZINC000246945353 139127905 /nfs/dbraw/zinc/12/79/05/139127905.db2.gz CNBMOSDGCFMETE-JKSUJKDBSA-N 0 0 348.509 1.318 10 0 EDAERN CN(C)C(=O)[C@@H](c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247010113 139131080 /nfs/dbraw/zinc/13/10/80/139131080.db2.gz CBEILCCARSGMNS-IAGOWNOFSA-N 0 0 328.416 1.413 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(C)ccc1F ZINC000088817043 217770644 /nfs/dbraw/zinc/77/06/44/217770644.db2.gz HMJFKCPKFKXXDW-LBPRGKRZSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CCCO1 ZINC000187707313 272951890 /nfs/dbraw/zinc/95/18/90/272951890.db2.gz BPBFDJGAYVYINQ-FRRDWIJNSA-N 0 0 330.400 1.971 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCCO2)C[C@@H]1C ZINC000247116163 139136187 /nfs/dbraw/zinc/13/61/87/139136187.db2.gz NPDGUJTWZVGEGZ-JYJNAYRXSA-N 0 0 328.453 1.140 10 0 EDAERN CCCCO[C@@H]1C[C@@H](NC(=O)NC[C@H](C)N2CCOCC2)C1(C)C ZINC000247341382 139145494 /nfs/dbraw/zinc/14/54/94/139145494.db2.gz NTXLIDLSNVQVOO-ARFHVFGLSA-N 0 0 341.496 1.990 10 0 EDAERN Cn1cc(CN2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)cn1 ZINC000247436794 139148338 /nfs/dbraw/zinc/14/83/38/139148338.db2.gz ZGMUUKPKODCPGA-QGZVFWFLSA-N 0 0 327.432 1.154 10 0 EDAERN CC(C)(C)C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000012313414 211342271 /nfs/dbraw/zinc/34/22/71/211342271.db2.gz JGQHMCJJPXWBFS-UHFFFAOYSA-N 0 0 329.335 1.838 10 0 EDAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCOC(=O)C12CCCCC2 ZINC000012194311 211315222 /nfs/dbraw/zinc/31/52/22/211315222.db2.gz WKZOHOFSVMFGKS-UHFFFAOYSA-N 0 0 327.406 1.277 10 0 EDAERN CN(CCO)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012203258 211320854 /nfs/dbraw/zinc/32/08/54/211320854.db2.gz CEYIXXAAKOJUPK-CQSZACIVSA-N 0 0 338.835 1.572 10 0 EDAERN O=C(c1nnc2n1CCCC2)N1CC[C@@H](Cc2ccc(CO)cc2)C1 ZINC000091593428 218028179 /nfs/dbraw/zinc/02/81/79/218028179.db2.gz FPROMQVPZXHECU-INIZCTEOSA-N 0 0 340.427 1.812 10 0 EDAERN CCCOC[C@@H]1CCN(C(=O)c2cnc(-c3cccnc3)[nH]c2=O)C1 ZINC000091746815 218058538 /nfs/dbraw/zinc/05/85/38/218058538.db2.gz SJRHXKRVHUUGHI-CYBMUJFWSA-N 0 0 342.399 1.721 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000248892904 139179609 /nfs/dbraw/zinc/17/96/09/139179609.db2.gz BEHOQFPOJOBWJJ-DGCLKSJQSA-N 0 0 346.349 1.656 10 0 EDAERN CNC(=O)CSc1nc2c(cnn2-c2ccc(OC)cc2)c(=O)[nH]1 ZINC000009522031 211096552 /nfs/dbraw/zinc/09/65/52/211096552.db2.gz DDPIINGNWPOKEH-UHFFFAOYSA-N 0 0 345.384 1.368 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CNC(=O)c1ccccc1 ZINC000249334002 139191299 /nfs/dbraw/zinc/19/12/99/139191299.db2.gz QELVDOUSHWSFGK-XHSDSOJGSA-N 0 0 344.411 1.749 10 0 EDAERN CCCCNC(=O)NC(=O)CN1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249527856 139194928 /nfs/dbraw/zinc/19/49/28/139194928.db2.gz AIKVAGRQLYVPDP-ZIAGYGMSSA-N 0 0 339.461 1.382 10 0 EDAERN CS(=O)(=O)c1ccc([C@H](O)CN2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249715302 139197288 /nfs/dbraw/zinc/19/72/88/139197288.db2.gz HZCIFNVHLZAVKT-ZACQAIPSSA-N 0 0 339.457 1.767 10 0 EDAERN Nc1cccc2c1CCCN2CC(=O)NC(=O)NCC(F)(F)F ZINC000261872689 139233097 /nfs/dbraw/zinc/23/30/97/139233097.db2.gz PGAPPUNQZGWUOO-UHFFFAOYSA-N 0 0 330.310 1.410 10 0 EDAERN COC(=O)Cc1cc(=O)[nH]c(Nc2nc(C)c3cc(C)ccc3n2)n1 ZINC000005906630 210557169 /nfs/dbraw/zinc/55/71/69/210557169.db2.gz FFHSLDNUAQEUKN-UHFFFAOYSA-N 0 0 339.355 1.789 10 0 EDAERN COCCNC(=O)CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000177972881 533000040 /nfs/dbraw/zinc/00/00/40/533000040.db2.gz BBQCMVWFIMFQRY-LBPRGKRZSA-N 0 0 347.337 1.222 10 0 EDAERN CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000263234210 139329968 /nfs/dbraw/zinc/32/99/68/139329968.db2.gz NTFIACQBJKUJQC-OAHLLOKOSA-N 0 0 337.383 1.872 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)c(Br)s1 ZINC000163674495 533040472 /nfs/dbraw/zinc/04/04/72/533040472.db2.gz IINPIXKZWSZWDI-SFYZADRCSA-N 0 0 348.218 1.567 10 0 EDAERN C[NH2+][C@](CCSCCS(C)(=O)=O)(C(=O)[O-])c1ccccc1 ZINC000168235312 533040615 /nfs/dbraw/zinc/04/06/15/533040615.db2.gz MGUCWBRKLMMHSN-AWEZNQCLSA-N 0 0 331.459 1.354 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-c2ncco2)cc1)[C@H]1CCCO1 ZINC000153423884 224101845 /nfs/dbraw/zinc/10/18/45/224101845.db2.gz BMZTVBSDWOYXKP-SMDDNHRTSA-N 0 0 329.356 1.964 10 0 EDAERN CO[C@H](C)COc1cc(F)c(S(N)(=O)=O)cc1Br ZINC000167241625 533098418 /nfs/dbraw/zinc/09/84/18/533098418.db2.gz MGJOIORHCXRKER-ZCFIWIBFSA-N 0 0 342.186 1.649 10 0 EDAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654237 220365657 /nfs/dbraw/zinc/36/56/57/220365657.db2.gz ZPYYQFKIXBKOLE-NEPJUHHUSA-N 0 0 337.424 1.403 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cccc(Oc3ccncc3)c2)C1 ZINC000112632535 220361148 /nfs/dbraw/zinc/36/11/48/220361148.db2.gz SJKDVXOKHYEZNM-QGZVFWFLSA-N 0 0 327.384 1.934 10 0 EDAERN CC(C)CS(=O)(=O)CC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112667519 220369488 /nfs/dbraw/zinc/36/94/88/220369488.db2.gz YZXMQICRRIOTTK-UHFFFAOYSA-N 0 0 341.477 1.499 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@@H](c3cnn(C)c3)C1)C2 ZINC000116122109 220932089 /nfs/dbraw/zinc/93/20/89/220932089.db2.gz JBCDLWKBQWFTLY-HUUCEWRRSA-N 0 0 341.411 1.996 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1CC ZINC000116899148 221008141 /nfs/dbraw/zinc/00/81/41/221008141.db2.gz CNBMOSDGCFMETE-HOTGVXAUSA-N 0 0 348.509 1.318 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(F)c(C)c2)C[C@H]1C ZINC000117369484 221058891 /nfs/dbraw/zinc/05/88/91/221058891.db2.gz PXGYBVRBVUXVOL-CYBMUJFWSA-N 0 0 330.425 1.475 10 0 EDAERN CCOCCN1CCN(C(=O)CCCNC(=O)C(C)(C)C)C[C@@H]1C ZINC000117277573 221041956 /nfs/dbraw/zinc/04/19/56/221041956.db2.gz ROPMTFFLMSMTKE-HNNXBMFYSA-N 0 0 341.496 1.498 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)CCN1CCOC ZINC000117309919 221050973 /nfs/dbraw/zinc/05/09/73/221050973.db2.gz BHLLLRZUWFKRHP-INIZCTEOSA-N 0 0 344.415 1.919 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2c(F)cccc2F)C[C@H]1C ZINC000117522983 221074079 /nfs/dbraw/zinc/07/40/79/221074079.db2.gz TVLJQBMAXLAAHS-LLVKDONJSA-N 0 0 341.358 1.082 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)c(F)c2)C[C@@H]1C ZINC000117522920 221074338 /nfs/dbraw/zinc/07/43/38/221074338.db2.gz QVAIQHDFBQVSRK-ZDUSSCGKSA-N 0 0 337.395 1.252 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2C(C)C)C[C@@H]1C ZINC000117522981 221074421 /nfs/dbraw/zinc/07/44/21/221074421.db2.gz QHWRVZALKMMJLP-HNNXBMFYSA-N 0 0 347.459 1.928 10 0 EDAERN COCCN1CCN(C(=O)NCCN(C)c2ccccc2)C[C@H]1C ZINC000117472895 221066952 /nfs/dbraw/zinc/06/69/52/221066952.db2.gz FHKYLBMONBUOSR-MRXNPFEDSA-N 0 0 334.464 1.485 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccccc2COC)C[C@@H]1C ZINC000117477322 221069176 /nfs/dbraw/zinc/06/91/76/221069176.db2.gz RJNKDGOIGDBDRK-HNNXBMFYSA-N 0 0 335.448 1.695 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 ZINC000117798796 221090704 /nfs/dbraw/zinc/09/07/04/221090704.db2.gz WZEVBQJQXCVLRU-WBVHZDCISA-N 0 0 344.415 1.590 10 0 EDAERN Cc1cnn(CCNC(=O)NCCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000118057680 221109682 /nfs/dbraw/zinc/10/96/82/221109682.db2.gz GUYQBJXBCHWIAM-UHFFFAOYSA-N 0 0 347.394 1.368 10 0 EDAERN CCc1ncc(NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000119335659 221297846 /nfs/dbraw/zinc/29/78/46/221297846.db2.gz WYGKWXGXROWPOR-NSHDSACASA-N 0 0 329.408 1.890 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)n(C)n1 ZINC000119507969 221335501 /nfs/dbraw/zinc/33/55/01/221335501.db2.gz ZGJNLTSKQBWSQL-UHFFFAOYSA-N 0 0 330.392 1.050 10 0 EDAERN Cc1ncoc1C(=O)N1CC2(C1)C[C@H](Oc1cncc(C)n1)CCO2 ZINC000253601795 257657416 /nfs/dbraw/zinc/65/74/16/257657416.db2.gz WVUJGLQJHVUAJE-CYBMUJFWSA-N 0 0 344.371 1.534 10 0 EDAERN COCCO[C@H]1CCN(C(=O)c2cccnc2)[C@@H]1Cc1cnn(C)c1 ZINC000248154525 257662997 /nfs/dbraw/zinc/66/29/97/257662997.db2.gz VEVWKSBKPGDZAG-SJORKVTESA-N 0 0 344.415 1.304 10 0 EDAERN CN(C)C(=O)COCc1cncc2c1CCN(c1ccccn1)C2 ZINC000096189386 257693145 /nfs/dbraw/zinc/69/31/45/257693145.db2.gz YZLFHJRXQJOOOZ-UHFFFAOYSA-N 0 0 326.400 1.644 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1)C2 ZINC000174296320 533284222 /nfs/dbraw/zinc/28/42/22/533284222.db2.gz ORHZMQCJJQDCIK-SQWLQELKSA-N 0 0 348.443 1.160 10 0 EDAERN COc1ncnc(OC)c1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000171810517 533289552 /nfs/dbraw/zinc/28/95/52/533289552.db2.gz FEMQNHOUJVTLIU-LBPRGKRZSA-N 0 0 331.376 1.476 10 0 EDAERN COCCCS(=O)(=O)NCCN1CCCC[C@@H]1c1nccs1 ZINC000175146547 533301862 /nfs/dbraw/zinc/30/18/62/533301862.db2.gz ZUTBSIIKKMZMDK-CYBMUJFWSA-N 0 0 347.506 1.626 10 0 EDAERN CS(=O)(=O)Cc1noc(-c2cc(N)cc(Br)c2)n1 ZINC000147264627 533375082 /nfs/dbraw/zinc/37/50/82/533375082.db2.gz WJQCIZXWMDPKIY-UHFFFAOYSA-N 0 0 332.179 1.626 10 0 EDAERN CSCCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000153503920 533569429 /nfs/dbraw/zinc/56/94/29/533569429.db2.gz YJMIALSGKVKQTQ-CQSZACIVSA-N 0 0 326.466 1.663 10 0 EDAERN C[C@@H](CC[S@@](C)=O)NC(=O)c1sc(NC(C)(C)C)nc1N ZINC000163720911 533651013 /nfs/dbraw/zinc/65/10/13/533651013.db2.gz XNEVEEWXEJAANW-PPRQPISWSA-N 0 0 332.495 1.823 10 0 EDAERN CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](NC(N)=O)[C@H](C)CC ZINC000271141208 140244790 /nfs/dbraw/zinc/24/47/90/140244790.db2.gz OZUAYZWYUKUHDZ-CJNGLKHVSA-N 0 0 349.431 1.661 10 0 EDAERN CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1nc(C2CC2)n2ccccc12 ZINC000329171982 140698698 /nfs/dbraw/zinc/69/86/98/140698698.db2.gz KUXADKLTCUIUBD-GFCCVEGCSA-N 0 0 347.440 1.718 10 0 EDAERN Cc1nc(CN2CCN(S(=O)(=O)NC3CCCC3)CC2)oc1C ZINC000329468340 140730064 /nfs/dbraw/zinc/73/00/64/140730064.db2.gz WUGLHHXAGYTFLT-UHFFFAOYSA-N 0 0 342.465 1.186 10 0 EDAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@]2(CCCOC2)C1 ZINC000330081221 140800694 /nfs/dbraw/zinc/80/06/94/140800694.db2.gz ADEMJFWISQCODK-GUYCJALGSA-N 0 0 332.404 1.182 10 0 EDAERN Cc1csc(N2CCC(C(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)n1 ZINC000330280516 140827214 /nfs/dbraw/zinc/82/72/14/140827214.db2.gz SNGGVLNCPZQZNR-CYBMUJFWSA-N 0 0 349.460 1.108 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(=O)n(C)c3ccccc23)CC[S@](=O)C1 ZINC000333207660 141281191 /nfs/dbraw/zinc/28/11/91/141281191.db2.gz CCBAHDBVPRGVPT-MYODQAERSA-N 0 0 332.425 1.379 10 0 EDAERN C[C@H](NC(=O)Nc1cccc(N2CCC2=O)c1)C(=O)N1CCCCC1 ZINC000333248146 141287395 /nfs/dbraw/zinc/28/73/95/141287395.db2.gz CPZOIFLRXAPPMR-ZDUSSCGKSA-N 0 0 344.415 1.946 10 0 EDAERN Cc1ccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000333255999 141288200 /nfs/dbraw/zinc/28/82/00/141288200.db2.gz LEYODRDQGBNOEL-CVEARBPZSA-N 0 0 330.432 1.980 10 0 EDAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC000333511335 141329207 /nfs/dbraw/zinc/32/92/07/141329207.db2.gz UKIXCAOXKXLOAU-LSDHHAIUSA-N 0 0 325.416 1.630 10 0 EDAERN CCc1nn(C)cc1CNC(=O)NC[C@H]1CC[C@@H](c2nc(C)no2)O1 ZINC000333615584 141345312 /nfs/dbraw/zinc/34/53/12/141345312.db2.gz HPDWBVDWZNTCFF-OCCSQVGLSA-N 0 0 348.407 1.393 10 0 EDAERN C[C@@H]1CN(c2ccnc(C(=O)N3CC[C@H](C)[C@@H](O)C3)c2)C[C@@H](C)O1 ZINC000333774894 141379031 /nfs/dbraw/zinc/37/90/31/141379031.db2.gz YXJGMJHXQARXOR-CFAJVAMVSA-N 0 0 333.432 1.538 10 0 EDAERN Cc1ccc(CS(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1F ZINC000184170827 292107295 /nfs/dbraw/zinc/10/72/95/292107295.db2.gz XEWYPMNNTKWCRB-ZIAGYGMSSA-N 0 0 344.452 1.351 10 0 EDAERN COc1ccc(Br)cc1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093885160 286270475 /nfs/dbraw/zinc/27/04/75/286270475.db2.gz SVQZPGYCIGALIK-ZYHUDNBSSA-N 0 0 327.178 1.287 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N2CCN(CC)CC2)C12CCOCC2 ZINC000185690687 286479233 /nfs/dbraw/zinc/47/92/33/286479233.db2.gz PYHPOZBWUVHYIW-CABCVRRESA-N 0 0 325.453 1.308 10 0 EDAERN O=S(=O)(C1CC1)N1CCOC[C@H]1c1nc(-c2cccs2)no1 ZINC000374414611 157282324 /nfs/dbraw/zinc/28/23/24/157282324.db2.gz ILXILRZRYHKSDN-JTQLQIEISA-N 0 0 341.414 1.664 10 0 EDAERN COCCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000246841113 292399762 /nfs/dbraw/zinc/39/97/62/292399762.db2.gz JYYOANUTNDEDCJ-HRCADAONSA-N 0 0 343.489 1.865 10 0 EDAERN Cc1cccc(C)c1OCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000049130830 287217686 /nfs/dbraw/zinc/21/76/86/287217686.db2.gz KSGIUKVVITWNTN-INIZCTEOSA-N 0 0 335.448 1.702 10 0 EDAERN Cc1ccc(S(=O)(=O)NCC2CC(O)C2)c(Br)c1 ZINC000091538317 287332479 /nfs/dbraw/zinc/33/24/79/287332479.db2.gz WUYJGRZACUXRPV-UHFFFAOYSA-N 0 0 334.235 1.807 10 0 EDAERN C[C@H]([C@H](O)Cc1cc(Br)cc2c1OCC2)S(C)(=O)=O ZINC000157683642 224868984 /nfs/dbraw/zinc/86/89/84/224868984.db2.gz SGTPJSHNVWQZJN-PRHODGIISA-N 0 0 349.246 1.721 10 0 EDAERN CCn1c(C)nnc1CN(C)CCN1C(=O)c2ccccc2C1=O ZINC000158980116 225119797 /nfs/dbraw/zinc/11/97/97/225119797.db2.gz PIKOKJBDAMNFQQ-UHFFFAOYSA-N 0 0 327.388 1.334 10 0 EDAERN Cn1cc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cn1 ZINC000159005010 225125748 /nfs/dbraw/zinc/12/57/48/225125748.db2.gz KQQQMCQETAEXQZ-HOCLYGCPSA-N 0 0 330.363 1.395 10 0 EDAERN Cc1ccccc1-n1nccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120966378 287366234 /nfs/dbraw/zinc/36/62/34/287366234.db2.gz DEXNEKLYBUWPCY-ZDUSSCGKSA-N 0 0 328.372 1.103 10 0 EDAERN Cc1nn(C)c(CC(=O)[C@@H]2CCCCS2(=O)=O)c1Br ZINC000167336117 226187256 /nfs/dbraw/zinc/18/72/56/226187256.db2.gz TUQWNPZOOAONSY-NSHDSACASA-N 0 0 349.250 1.570 10 0 EDAERN Cc1c(N)cnc(N2CCN(CC(C)(C)O)CC2)c1Br ZINC000165562920 226127728 /nfs/dbraw/zinc/12/77/28/226127728.db2.gz WLKLPXRVWUPSGK-UHFFFAOYSA-N 0 0 343.269 1.628 10 0 EDAERN Cc1c(N)cnc(N[C@H]2CCCS(=O)(=O)C2)c1Br ZINC000165558894 226127745 /nfs/dbraw/zinc/12/77/45/226127745.db2.gz VULQHVFWOLABPG-QMMMGPOBSA-N 0 0 334.239 1.724 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)CCN1CCOCC1 ZINC000165754161 226135365 /nfs/dbraw/zinc/13/53/65/226135365.db2.gz YBWQLUATUREPHP-UHFFFAOYSA-N 0 0 349.250 1.137 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)CCC(=O)NC1CC1 ZINC000166329190 226154993 /nfs/dbraw/zinc/15/49/93/226154993.db2.gz UMMWBMGDTXAIKK-UHFFFAOYSA-N 0 0 347.234 1.474 10 0 EDAERN O=C(/C=C/c1c(Cl)nc2sccn12)N1CCOC[C@H]1CO ZINC000168541137 226217888 /nfs/dbraw/zinc/21/78/88/226217888.db2.gz HPLVUISAOOTIFV-GPYPMJJRSA-N 0 0 327.793 1.282 10 0 EDAERN OC[C@H]1COCCN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000168872032 226224612 /nfs/dbraw/zinc/22/46/12/226224612.db2.gz BATWJRCEGPXTEH-QMMMGPOBSA-N 0 0 344.165 1.285 10 0 EDAERN O=C1CN(Cc2ccc(Br)cn2)C(=O)C2(CCCC2)N1 ZINC000168907725 226226140 /nfs/dbraw/zinc/22/61/40/226226140.db2.gz ZFZKQCRCDQGLIY-UHFFFAOYSA-N 0 0 338.205 1.615 10 0 EDAERN O=C(NCc1cc2c([nH]cnc2=O)s1)c1ccc2c(c1)OCO2 ZINC000169851187 226589324 /nfs/dbraw/zinc/58/93/24/226589324.db2.gz XUXTXCJHQIGQER-UHFFFAOYSA-N 0 0 329.337 1.643 10 0 EDAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)s1 ZINC000126287614 287419099 /nfs/dbraw/zinc/41/90/99/287419099.db2.gz KOJKAKQMQGPINR-GWCFXTLKSA-N 0 0 346.474 1.273 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000122198447 222034665 /nfs/dbraw/zinc/03/46/65/222034665.db2.gz OCMXSCPWUMXUEN-CYBMUJFWSA-N 0 0 339.465 1.330 10 0 EDAERN Cc1n[nH]cc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000122721299 222145345 /nfs/dbraw/zinc/14/53/45/222145345.db2.gz HLPIULFQUAIBAS-QGZVFWFLSA-N 0 0 330.432 1.276 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000122765528 222154287 /nfs/dbraw/zinc/15/42/87/222154287.db2.gz IYJZVIBXTSRFDM-CVEARBPZSA-N 0 0 332.400 1.595 10 0 EDAERN C[C@@H](NC(=O)NCCNc1nccc(C(F)(F)F)n1)[C@H]1CCCO1 ZINC000122817016 222163684 /nfs/dbraw/zinc/16/36/84/222163684.db2.gz XVYNRDHGHZNNTL-NXEZZACHSA-N 0 0 347.341 1.774 10 0 EDAERN Cc1cc(NC(=O)N[C@H](C)c2nnc3n2CCCC3)ccc1C(N)=O ZINC000123141271 222222641 /nfs/dbraw/zinc/22/26/41/222222641.db2.gz ACNWVIFAZWUEOP-LLVKDONJSA-N 0 0 342.403 1.904 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ncc(C)s2)C1 ZINC000123615071 222306972 /nfs/dbraw/zinc/30/69/72/222306972.db2.gz JHCWJRODLYZYJI-LLVKDONJSA-N 0 0 338.433 1.297 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)N[C@H](CC(=O)OC)c2ccccc2)C1 ZINC000123904483 222349894 /nfs/dbraw/zinc/34/98/94/222349894.db2.gz PIHOOHGUJFZQEX-HUUCEWRRSA-N 0 0 332.400 1.666 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)[C@H]1CCCO1 ZINC000124208840 222391575 /nfs/dbraw/zinc/39/15/75/222391575.db2.gz XYUXYUIJEJYUTQ-PSASIEDQSA-N 0 0 331.294 1.723 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3cccc(OC)n3)CC2)n1 ZINC000171828860 227304113 /nfs/dbraw/zinc/30/41/13/227304113.db2.gz LJQQPWNCUZVCQO-UHFFFAOYSA-N 0 0 329.404 1.601 10 0 EDAERN CCn1cc(C2CCN(C(=O)CNC(=O)c3ccccn3)CC2)cn1 ZINC000172554851 227759724 /nfs/dbraw/zinc/75/97/24/227759724.db2.gz JRAVYLFJKPXCGL-UHFFFAOYSA-N 0 0 341.415 1.434 10 0 EDAERN O=C(NCCNC(=O)c1ccc(F)cc1)NC[C@H]1CCCC[C@H]1O ZINC000172611152 227797772 /nfs/dbraw/zinc/79/77/72/227797772.db2.gz NIAJZDBPTGWWNA-UKRRQHHQSA-N 0 0 337.395 1.406 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCNC(C)=O ZINC000031241429 267383753 /nfs/dbraw/zinc/38/37/53/267383753.db2.gz RLLKZGZEQLDAPA-BBRMVZONSA-N 0 0 333.432 1.474 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000175751621 267553868 /nfs/dbraw/zinc/55/38/68/267553868.db2.gz BBCTVEYJKQREIF-ZIAGYGMSSA-N 0 0 337.464 1.986 10 0 EDAERN COc1ccc(CCNC(=O)N2CC(NC(C)=O)C2)c(Cl)c1 ZINC000190251460 267792345 /nfs/dbraw/zinc/79/23/45/267792345.db2.gz FCQVRLKZTMWKOA-UHFFFAOYSA-N 0 0 325.796 1.421 10 0 EDAERN COC(=O)NCCCC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091759323 272917043 /nfs/dbraw/zinc/91/70/43/272917043.db2.gz WQMLCTSAMCPKPD-RISCZKNCSA-N 0 0 342.342 1.735 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C1CCCC1 ZINC000175872896 272937359 /nfs/dbraw/zinc/93/73/59/272937359.db2.gz JLRACFHJQTVZDD-LLVKDONJSA-N 0 0 328.376 1.296 10 0 EDAERN CCNC(=O)C1CN(C(=O)[C@H](NC(=O)c2ccccc2)[C@H](C)CC)C1 ZINC000176424673 272938028 /nfs/dbraw/zinc/93/80/28/272938028.db2.gz NMAJORSRKVZWDF-CZUORRHYSA-N 0 0 345.443 1.426 10 0 EDAERN OC[C@H]1C[C@H](O)CN1Cc1cc2c(cc1Br)OCCO2 ZINC000179173307 275050016 /nfs/dbraw/zinc/05/00/16/275050016.db2.gz GGOXZWRVQVSNNB-MNOVXSKESA-N 0 0 344.205 1.148 10 0 EDAERN CC(C)[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000178991575 275718976 /nfs/dbraw/zinc/71/89/76/275718976.db2.gz BLSWELOXNXCXMN-YXJHDRRASA-N 0 0 336.407 1.868 10 0 EDAERN C[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)C[C@H]1N1CCOCC1 ZINC000255677266 287847557 /nfs/dbraw/zinc/84/75/57/287847557.db2.gz SDLJUSLANYQQHN-LDAMZSCKSA-N 0 0 344.411 1.608 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000182144662 276444173 /nfs/dbraw/zinc/44/41/73/276444173.db2.gz CRFBTWWIMHONSW-CQSZACIVSA-N 0 0 326.828 1.333 10 0 EDAERN COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H]1CCCn3nc(C)nc31)CO2 ZINC000081589083 277437807 /nfs/dbraw/zinc/43/78/07/277437807.db2.gz RJLPHKNZWWGBLE-UKRRQHHQSA-N 0 0 342.399 1.798 10 0 EDAERN CC(C)NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179358394 277650847 /nfs/dbraw/zinc/65/08/47/277650847.db2.gz NREBBXXQEUSBIQ-YOEHRIQHSA-N 0 0 349.406 1.328 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@H]1N1CCOCC1 ZINC000173832749 288021353 /nfs/dbraw/zinc/02/13/53/288021353.db2.gz OTUBTBKZYZUMAG-CXAGYDPISA-N 0 0 345.443 1.046 10 0 EDAERN Cc1nccn1-c1cncc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1 ZINC000328966120 279169749 /nfs/dbraw/zinc/16/97/49/279169749.db2.gz SMDXTCUQMMBEHC-HDMKZQKVSA-N 0 0 343.431 1.727 10 0 EDAERN Cc1cc(=O)nc2s/c(=C\c3ccc(Br)cc3)c(=O)n21 ZINC000005922125 280306171 /nfs/dbraw/zinc/30/61/71/280306171.db2.gz NXGWLQGTKULFKI-XFFZJAGNSA-N 0 0 349.209 1.735 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc(=O)[nH]1 ZINC000179783705 280354399 /nfs/dbraw/zinc/35/43/99/280354399.db2.gz KGMGTCDBWSBZBZ-CYBMUJFWSA-N 0 0 332.381 1.744 10 0 EDAERN CC1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000178231519 281807503 /nfs/dbraw/zinc/80/75/03/281807503.db2.gz XLZHYNKXPABKLA-OAHLLOKOSA-N 0 0 336.457 1.753 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2C)sc1C ZINC000193116730 281949189 /nfs/dbraw/zinc/94/91/89/281949189.db2.gz AJNFIDORMJFSSQ-ZDUSSCGKSA-N 0 0 347.444 1.895 10 0 EDAERN Cc1nc2c(cnn2C)c(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000179532388 282018056 /nfs/dbraw/zinc/01/80/56/282018056.db2.gz IOXHXRXLKTVGGB-IUODEOHRSA-N 0 0 340.431 1.651 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000054452209 289018035 /nfs/dbraw/zinc/01/80/35/289018035.db2.gz QPUDNEURESYORS-GXTWGEPZSA-N 0 0 336.819 1.970 10 0 EDAERN CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000120834989 289719768 /nfs/dbraw/zinc/71/97/68/289719768.db2.gz HUWTUVGJDWSXAA-XGWLTEMNSA-N 0 0 334.391 1.840 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC(F)(F)CO)[C@H]1c1ccc(F)cc1 ZINC000183844880 289820464 /nfs/dbraw/zinc/82/04/64/289820464.db2.gz GLPUVAFBWCOOMW-DGCLKSJQSA-N 0 0 330.306 1.089 10 0 EDAERN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000189924457 293685324 /nfs/dbraw/zinc/68/53/24/293685324.db2.gz JXBFLMAXTNDRQA-AWEZNQCLSA-N 0 0 328.372 1.103 10 0 EDAERN Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4cccn4C)C[C@@H]32)n1 ZINC000096043449 293963226 /nfs/dbraw/zinc/96/32/26/293963226.db2.gz USDDIUBWUPRASS-UMVBOHGHSA-N 0 0 330.388 1.751 10 0 EDAERN NC(=O)CN1CCC(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000092066700 295045509 /nfs/dbraw/zinc/04/55/09/295045509.db2.gz IRRGLVZNHWJZHU-MRXNPFEDSA-N 0 0 333.407 1.687 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000180276337 295119309 /nfs/dbraw/zinc/11/93/09/295119309.db2.gz QIBLXJDHQCREGK-JTQLQIEISA-N 0 0 342.182 1.801 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000091781433 295120122 /nfs/dbraw/zinc/12/01/22/295120122.db2.gz ATMGIGPQGADDBV-JTQLQIEISA-N 0 0 347.596 1.429 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000133908363 295158319 /nfs/dbraw/zinc/15/83/19/295158319.db2.gz SAXNMYQLNHORJB-SNVBAGLBSA-N 0 0 336.697 1.685 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)cc1Cl ZINC000091785570 295158565 /nfs/dbraw/zinc/15/85/65/295158565.db2.gz ZDTRLJBZASLCBF-SNVBAGLBSA-N 0 0 347.596 1.429 10 0 EDAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000176013862 301307784 /nfs/dbraw/zinc/30/77/84/301307784.db2.gz HKSAWBACJGCEOG-CQSZACIVSA-N 0 0 344.390 1.946 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(C)ccc2F)n1 ZINC000183748821 302852615 /nfs/dbraw/zinc/85/26/15/302852615.db2.gz IDRCGQQOEDAOFI-LBPRGKRZSA-N 0 0 341.364 1.588 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(C)c2)n1 ZINC000183746919 302856747 /nfs/dbraw/zinc/85/67/47/302856747.db2.gz JQEZTRKTLRFDFK-CYBMUJFWSA-N 0 0 341.364 1.588 10 0 EDAERN Cn1nncc1S(=O)(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000330156479 303110788 /nfs/dbraw/zinc/11/07/88/303110788.db2.gz PFQAQAFHVFJHEL-DGCLKSJQSA-N 0 0 342.808 1.277 10 0 EDAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)/C=C/c1ccc(Br)o1 ZINC000393500258 303852535 /nfs/dbraw/zinc/85/25/35/303852535.db2.gz JKKNGFCYWHWSEH-UMIKXGBZSA-N 0 0 327.178 1.839 10 0 EDAERN C[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1cncc(Br)c1 ZINC000399257546 303858085 /nfs/dbraw/zinc/85/80/85/303858085.db2.gz MVZUYRMBZMRTOH-WCBMZHEXSA-N 0 0 335.223 1.378 10 0 EDAERN CCOC(=O)c1ccc(NC(=O)Cn2c(N)nnc2SCC)cc1 ZINC000001922609 440853376 /nfs/dbraw/zinc/85/33/76/440853376.db2.gz VSFIGJCTTVNCKX-UHFFFAOYSA-N 0 0 349.416 1.788 10 0 EDAERN COc1ccc2c(cc3c(=O)n(CC(=O)NC4CC4)nc(C)n32)c1 ZINC000006749854 441011630 /nfs/dbraw/zinc/01/16/30/441011630.db2.gz LCDKHVKOQSENTJ-UHFFFAOYSA-N 0 0 326.356 1.245 10 0 EDAERN CNC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C(C)C)ccc1Cl ZINC000070689886 441115198 /nfs/dbraw/zinc/11/51/98/441115198.db2.gz ILFOYDQAFGZOJQ-VIFPVBQESA-N 0 0 325.796 1.799 10 0 EDAERN O=C(CN1CCO[C@H]2CCCC[C@H]21)NC1CCC2(CC1)OCCO2 ZINC000070693946 441115665 /nfs/dbraw/zinc/11/56/65/441115665.db2.gz GDMBZCKJYUNQKI-CVEARBPZSA-N 0 0 338.448 1.432 10 0 EDAERN COc1ccc(CN2CCN(Cc3nnc(C)n3C)CC2)cc1F ZINC000047541187 441202314 /nfs/dbraw/zinc/20/23/14/441202314.db2.gz ORGWSLGZJFAGIP-UHFFFAOYSA-N 0 0 333.411 1.589 10 0 EDAERN CN(Cc1ccccc1N1CCCC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104798337 441211367 /nfs/dbraw/zinc/21/13/67/441211367.db2.gz CPNPOXNDQWUJHR-KRWDZBQOSA-N 0 0 346.475 1.759 10 0 EDAERN COc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000016263335 441217878 /nfs/dbraw/zinc/21/78/78/441217878.db2.gz HDLYAEMCOKWYEG-LLVKDONJSA-N 0 0 334.397 1.985 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000105282226 441248347 /nfs/dbraw/zinc/24/83/47/441248347.db2.gz FDDASRTWBWPUMH-OAHLLOKOSA-N 0 0 332.404 1.487 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@@](C)(O)c3ccccc3)CC2)n1 ZINC000105864883 441295341 /nfs/dbraw/zinc/29/53/41/441295341.db2.gz LQUCWVTWKIQDOW-KBXCAEBGSA-N 0 0 330.432 1.964 10 0 EDAERN C[C@@H](C(=O)Nc1nccs1)N1CCCN(c2cccnn2)CC1 ZINC000105799426 441273018 /nfs/dbraw/zinc/27/30/18/441273018.db2.gz QGDLCJFRMUTGQR-LBPRGKRZSA-N 0 0 332.433 1.472 10 0 EDAERN Cc1ncc(CN2CCN(CC(=O)N3CCC(C)CC3)CC2)s1 ZINC000105813768 441276819 /nfs/dbraw/zinc/27/68/19/441276819.db2.gz MKSQIPKJRHHPQR-UHFFFAOYSA-N 0 0 336.505 1.828 10 0 EDAERN Fc1cccc(CN2CCN(c3ccc4nncn4n3)CC2)c1F ZINC000105816983 441277087 /nfs/dbraw/zinc/27/70/87/441277087.db2.gz NDFBWRANFLKKLV-UHFFFAOYSA-N 0 0 330.342 1.725 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3cc(Cl)ccn3)CC2)n1 ZINC000105819884 441277566 /nfs/dbraw/zinc/27/75/66/441277566.db2.gz RQDYULDJRHXRNP-UHFFFAOYSA-N 0 0 347.806 1.886 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000081586630 441293856 /nfs/dbraw/zinc/29/38/56/441293856.db2.gz XLUVGXWNRDOPER-BMIGLBTASA-N 0 0 330.436 1.767 10 0 EDAERN CC[C@H]1CN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CCN1C[C@@H](C)O ZINC000106104317 441326699 /nfs/dbraw/zinc/32/66/99/441326699.db2.gz MQKXZOXAIYJXGV-WBMJQRKESA-N 0 0 349.475 1.794 10 0 EDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN4CCCC[C@@H]4C3)ccc2O1 ZINC000106227720 441328743 /nfs/dbraw/zinc/32/87/43/441328743.db2.gz UWBSUHPHOFHKHZ-UKRRQHHQSA-N 0 0 336.457 1.869 10 0 EDAERN CCN(CC)C(=O)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874446 441302608 /nfs/dbraw/zinc/30/26/08/441302608.db2.gz QLVKOTBINUTPIL-HNNXBMFYSA-N 0 0 339.505 1.922 10 0 EDAERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccccc3C(N)=O)C2)c1 ZINC000105900872 441312082 /nfs/dbraw/zinc/31/20/82/441312082.db2.gz LKKLRJQBPIDAML-AWEZNQCLSA-N 0 0 341.415 1.566 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(CC(=O)Nc2cc(C)nn2C)C1 ZINC000105897116 441312245 /nfs/dbraw/zinc/31/22/45/441312245.db2.gz OKBCUHUOOLPLKI-CQSZACIVSA-N 0 0 330.436 1.763 10 0 EDAERN CNS(=O)(=O)CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000083067181 441349521 /nfs/dbraw/zinc/34/95/21/441349521.db2.gz SSNTUQZZPOYWRX-MRVPVSSYSA-N 0 0 335.223 1.176 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H](C)O1 ZINC000083582527 441364401 /nfs/dbraw/zinc/36/44/01/441364401.db2.gz HZHDJIQTHIGWDZ-RKDXNWHRSA-N 0 0 344.209 1.789 10 0 EDAERN CC(C)CCNC(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1 ZINC000065168416 441405955 /nfs/dbraw/zinc/40/59/55/441405955.db2.gz JKGNQFJYPKLAKM-UHFFFAOYSA-N 0 0 345.447 1.968 10 0 EDAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000084577684 441407252 /nfs/dbraw/zinc/40/72/52/441407252.db2.gz MYYJISFPZSGYQP-UWVGGRQHSA-N 0 0 330.406 1.088 10 0 EDAERN CC(C)CNC(=O)c1nc2c(cnn2C)c(N2CCC(C)CC2)n1 ZINC000065257048 441411677 /nfs/dbraw/zinc/41/16/77/441411677.db2.gz BHZXUCHMGHYTJZ-UHFFFAOYSA-N 0 0 330.436 1.985 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCc1ccccc1 ZINC000028274899 441429755 /nfs/dbraw/zinc/42/97/55/441429755.db2.gz AIHOORHCCSTSED-MRXNPFEDSA-N 0 0 338.473 1.940 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@H](O)c2ccc3ccccc3c2)C1 ZINC000109149430 441490540 /nfs/dbraw/zinc/49/05/40/441490540.db2.gz WKFRBRPBDNWVBA-MSOLQXFVSA-N 0 0 343.427 1.503 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1nc(C(C)C)no1 ZINC000088197686 441495574 /nfs/dbraw/zinc/49/55/74/441495574.db2.gz SHKAPMCZNBEMPG-NSHDSACASA-N 0 0 332.408 1.931 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000088196787 441495832 /nfs/dbraw/zinc/49/58/32/441495832.db2.gz OYPPWNMCCVBHCY-AWEZNQCLSA-N 0 0 337.383 1.947 10 0 EDAERN Cn1cnnc1C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000030596051 441497903 /nfs/dbraw/zinc/49/79/03/441497903.db2.gz QSIUHAFXEIHXDG-FMIVXFBMSA-N 0 0 332.429 1.995 10 0 EDAERN COC(=O)N[C@@H](C(=O)NC[C@H](O)c1ccc(Cl)cc1)C(C)C ZINC000108447528 441453440 /nfs/dbraw/zinc/45/34/40/441453440.db2.gz SHQRVTRLVOCTDU-QWHCGFSZSA-N 0 0 328.796 1.870 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000088787192 441522971 /nfs/dbraw/zinc/52/29/71/441522971.db2.gz IJGNBDWVEBDAID-CQSZACIVSA-N 0 0 348.428 1.857 10 0 EDAERN CC(C)C(=O)Nc1nc2c(ncn2CC(=O)OC(C)(C)C)c(=O)[nH]1 ZINC000034468637 441599517 /nfs/dbraw/zinc/59/95/17/441599517.db2.gz ZKEIBKIITOZQLJ-UHFFFAOYSA-N 0 0 335.364 1.056 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)N1CCOCC1 ZINC000041600934 441662619 /nfs/dbraw/zinc/66/26/19/441662619.db2.gz IIGWKLJTYONWQR-SNVBAGLBSA-N 0 0 343.786 1.255 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(C(N)=O)cs1 ZINC000056079557 441686907 /nfs/dbraw/zinc/68/69/07/441686907.db2.gz XECZPSMASZRHDD-USWWRNFRSA-N 0 0 336.413 1.793 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OC)ccc1OC)CC2 ZINC000114863310 441693213 /nfs/dbraw/zinc/69/32/13/441693213.db2.gz WWWRSWUKLQFOGH-NSHDSACASA-N 0 0 330.388 1.603 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)CC2 ZINC000114874333 441694647 /nfs/dbraw/zinc/69/46/47/441694647.db2.gz RWZNQAXPILOLCA-LLVKDONJSA-N 0 0 342.371 1.412 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1nnc(C(F)F)s1)CC2 ZINC000114904510 441696030 /nfs/dbraw/zinc/69/60/30/441696030.db2.gz UFWWRGSBLAXEOF-LURJTMIESA-N 0 0 343.363 1.766 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccnc1OC)CC2 ZINC000114924870 441698624 /nfs/dbraw/zinc/69/86/24/441698624.db2.gz GNNKIIFOCXJNMX-LBPRGKRZSA-N 0 0 330.392 1.058 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1Cc3ccccc31)CC2 ZINC000114940508 441701006 /nfs/dbraw/zinc/70/10/06/441701006.db2.gz UGEZNSOTGVGGOJ-UONOGXRCSA-N 0 0 325.416 1.794 10 0 EDAERN COC(=O)Cn1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)n1 ZINC000173286823 441704055 /nfs/dbraw/zinc/70/40/55/441704055.db2.gz ORSGGPWTAGKMSA-UHFFFAOYSA-N 0 0 346.391 1.197 10 0 EDAERN C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H]1CCCO1 ZINC000091212009 441676641 /nfs/dbraw/zinc/67/66/41/441676641.db2.gz CMFYJHFTVDEVMM-AEGPPILISA-N 0 0 340.445 1.639 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121563329 441733070 /nfs/dbraw/zinc/73/30/70/441733070.db2.gz QUXQSSXVAOJWEY-GDBMZVCRSA-N 0 0 331.478 1.601 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)cn2C)ncn1 ZINC000173409350 441739083 /nfs/dbraw/zinc/73/90/83/441739083.db2.gz ZHDLCJPIWSYFOR-GFCCVEGCSA-N 0 0 348.838 1.909 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc(C)nc2)ncn1 ZINC000173426827 441745393 /nfs/dbraw/zinc/74/53/93/441745393.db2.gz HPAOAEIVOOEUFF-HNNXBMFYSA-N 0 0 340.431 1.549 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)CCCS(C)(=O)=O)C2)n1 ZINC000173429862 441746719 /nfs/dbraw/zinc/74/67/19/441746719.db2.gz JEAKOPYXMADICQ-LBPRGKRZSA-N 0 0 330.475 1.982 10 0 EDAERN O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(O)cc2c1=O ZINC000077293473 441748852 /nfs/dbraw/zinc/74/88/52/441748852.db2.gz BHWPCJSQQBRNMN-UHFFFAOYSA-N 0 0 329.356 1.150 10 0 in-vitro EDAERN CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173453459 441756302 /nfs/dbraw/zinc/75/63/02/441756302.db2.gz NISVTZDOFVVMOK-LLVKDONJSA-N 0 0 329.422 1.681 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3c(C)noc3C)CCO2)[nH]1 ZINC000137404618 441767034 /nfs/dbraw/zinc/76/70/34/441767034.db2.gz RIWKGKMFSIZHOH-GFCCVEGCSA-N 0 0 334.380 1.255 10 0 EDAERN Cc1ccc(CCC(=O)NCC(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000077150484 441724023 /nfs/dbraw/zinc/72/40/23/441724023.db2.gz QDCSNDVMDUTUNK-IAGOWNOFSA-N 0 0 332.444 1.711 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1nnc2n1CCCC2 ZINC000121769875 441777466 /nfs/dbraw/zinc/77/74/66/441777466.db2.gz XGQQSXPMFBAMEZ-VIFPVBQESA-N 0 0 342.371 1.932 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc([S@@](C)=O)cc3)CCO2)[nH]1 ZINC000173541272 441784925 /nfs/dbraw/zinc/78/49/25/441784925.db2.gz IZASPQWXJQVUCX-JCQPUDPBSA-N 0 0 334.401 1.064 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCNC(=O)OC(C)(C)C)C2)cn1 ZINC000116428368 441820558 /nfs/dbraw/zinc/82/05/58/441820558.db2.gz VUNZASGMGPRWSS-GFCCVEGCSA-N 0 0 337.424 1.444 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCOC(C)(C)C3)C2=O)n(C)n1 ZINC000173556680 441790403 /nfs/dbraw/zinc/79/04/03/441790403.db2.gz DTDQVZDFWJYLPG-ZDUSSCGKSA-N 0 0 349.435 1.044 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)C2)cn1 ZINC000116115985 441793716 /nfs/dbraw/zinc/79/37/16/441793716.db2.gz YIWMPVOMEVXOJG-CJNGLKHVSA-N 0 0 325.368 1.518 10 0 EDAERN Cc1ccn2c(c1)ncc(C(=O)N1CC[C@H](c3cnn(C)c3)C1)c2=O ZINC000116230644 441803589 /nfs/dbraw/zinc/80/35/89/441803589.db2.gz UDIPLXVYSSCVGR-ZDUSSCGKSA-N 0 0 337.383 1.366 10 0 EDAERN Cc1ccc(CNC(=O)CN2CC[C@H](c3cnn(C)c3)C2)cc1F ZINC000116317718 441810427 /nfs/dbraw/zinc/81/04/27/441810427.db2.gz HKZQELFGUNGBCU-HNNXBMFYSA-N 0 0 330.407 1.973 10 0 EDAERN C[C@H](NC(=O)Cc1nc2ncccn2n1)c1cccc(-n2ccnc2)c1 ZINC000173940842 441865672 /nfs/dbraw/zinc/86/56/72/441865672.db2.gz RRRDNLXXWORXAT-ZDUSSCGKSA-N 0 0 347.382 1.730 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(C)(C)C(N)=O ZINC000077819295 441868942 /nfs/dbraw/zinc/86/89/42/441868942.db2.gz UXDIWELCFAWLLO-OCCSQVGLSA-N 0 0 333.432 1.459 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)c1nc(C)cs1 ZINC000077650883 441822721 /nfs/dbraw/zinc/82/27/21/441822721.db2.gz JQDYQDCNMGIAIL-LLVKDONJSA-N 0 0 331.463 1.619 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cccc4cccnc43)C2)cn1 ZINC000116586565 441831212 /nfs/dbraw/zinc/83/12/12/441831212.db2.gz WICTWXLQJXGORK-AWEZNQCLSA-N 0 0 349.394 1.923 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnn3ccc(C)nc23)C[C@@H]1CC ZINC000116766908 441840288 /nfs/dbraw/zinc/84/02/88/441840288.db2.gz LCHKGFWTLDYTAV-HNNXBMFYSA-N 0 0 345.447 1.611 10 0 EDAERN COc1ccc(C)cc1CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173791080 441840565 /nfs/dbraw/zinc/84/05/65/441840565.db2.gz AYRAXUTZFUDNLH-KRWDZBQOSA-N 0 0 347.459 1.662 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1CC ZINC000116771085 441841842 /nfs/dbraw/zinc/84/18/42/441841842.db2.gz BMOLEVYTANGXOS-HNNXBMFYSA-N 0 0 334.416 1.988 10 0 EDAERN C[C@@H]1CN(C(=O)CSCc2cccnc2)C[C@H]1N1CCOCC1 ZINC000173807231 441843018 /nfs/dbraw/zinc/84/30/18/441843018.db2.gz RDVRVLMDEWEJIB-GDBMZVCRSA-N 0 0 335.473 1.494 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)n1 ZINC000116778502 441843774 /nfs/dbraw/zinc/84/37/74/441843774.db2.gz DMCZXVZFKMDKSE-GJZGRUSLSA-N 0 0 333.436 1.002 10 0 EDAERN CCSc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000173832281 441847340 /nfs/dbraw/zinc/84/73/40/441847340.db2.gz SSZMJILTKKYFJB-HIFRSBDPSA-N 0 0 335.473 1.986 10 0 EDAERN CN1CCN(c2ncc(CN3CCCC[C@H]3c3cn[nH]c3)cn2)CC1 ZINC000093438293 441886901 /nfs/dbraw/zinc/88/69/01/441886901.db2.gz HNDKMVWHIMMKEG-KRWDZBQOSA-N 0 0 341.463 1.679 10 0 EDAERN Cn1nccc1C1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000124508754 441933029 /nfs/dbraw/zinc/93/30/29/441933029.db2.gz OMSCHUGQEMGSQV-UHFFFAOYSA-N 0 0 339.461 1.484 10 0 EDAERN CC[C@H]1CN(C(=O)c2cn(CCC(C)C)nn2)CCN1C[C@@H](C)O ZINC000174646690 441949316 /nfs/dbraw/zinc/94/93/16/441949316.db2.gz ZJNIHOLQIRWAAG-CABCVRRESA-N 0 0 337.468 1.241 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000119875641 441967990 /nfs/dbraw/zinc/96/79/90/441967990.db2.gz LKQJHHDAVPEXQU-ZIAGYGMSSA-N 0 0 335.429 1.729 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)COc3ccccc3)C2=O)n(C)n1 ZINC000175000929 441993316 /nfs/dbraw/zinc/99/33/16/441993316.db2.gz CWGFNNUMIVXKMM-OAHLLOKOSA-N 0 0 342.399 1.419 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CSc3n[nH]c(C)n3)C2)n1 ZINC000174921699 441983990 /nfs/dbraw/zinc/98/39/90/441983990.db2.gz OOMOJFDJYNXRCH-ZDUSSCGKSA-N 0 0 349.464 1.352 10 0 EDAERN COCCN(Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000161639845 442019059 /nfs/dbraw/zinc/01/90/59/442019059.db2.gz NEEJOOAWYVUSBU-INIZCTEOSA-N 0 0 334.441 1.870 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2O)ncn1 ZINC000175258698 442027664 /nfs/dbraw/zinc/02/76/64/442027664.db2.gz ZTWFZYKZZDONFM-LBPRGKRZSA-N 0 0 345.378 1.762 10 0 EDAERN COC(=O)CCCNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000120215848 442030602 /nfs/dbraw/zinc/03/06/02/442030602.db2.gz PJJMOLVSKMXGSE-FZMZJTMJSA-N 0 0 342.342 1.735 10 0 EDAERN C[C@H]1CN(C(=O)NCCCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000175613185 442093816 /nfs/dbraw/zinc/09/38/16/442093816.db2.gz VDIOQVKAFNHMMO-WMZOPIPTSA-N 0 0 331.460 1.981 10 0 EDAERN CC(C)Oc1cncc(N[C@H]2CCCN(c3ccn(C)n3)C2=O)n1 ZINC000125746847 442044212 /nfs/dbraw/zinc/04/42/12/442044212.db2.gz SCJDWDFZONYFGX-LBPRGKRZSA-N 0 0 330.392 1.605 10 0 EDAERN Cc1ccc(C(=O)N2CCOCC2)cc1NCc1nnnn1C(C)C ZINC000120302290 442045859 /nfs/dbraw/zinc/04/58/59/442045859.db2.gz LXJIYADQWFBOSV-UHFFFAOYSA-N 0 0 344.419 1.647 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCc3cccc(C)c3)CCO2)[nH]1 ZINC000175472153 442069229 /nfs/dbraw/zinc/06/92/29/442069229.db2.gz UEPIRRVNAWUFGY-HNNXBMFYSA-N 0 0 329.404 1.747 10 0 EDAERN COc1cc(C)ccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000126093864 442077711 /nfs/dbraw/zinc/07/77/11/442077711.db2.gz UXIYVXPWPBLJLQ-ZDUSSCGKSA-N 0 0 342.399 1.692 10 0 EDAERN C[C@H]1CN(C(=O)NCc2cc(F)ccc2F)C[C@H]1N1CCOCC1 ZINC000175762623 442117129 /nfs/dbraw/zinc/11/71/29/442117129.db2.gz GRRPXUSIWXTRPY-BLLLJJGKSA-N 0 0 339.386 1.827 10 0 EDAERN CCCc1cc(N2CCO[C@H](c3nnc(C)[nH]3)C2)n2ncnc2n1 ZINC000175776523 442120042 /nfs/dbraw/zinc/12/00/42/442120042.db2.gz AAPSDVPKJYTJHK-LBPRGKRZSA-N 0 0 328.380 1.081 10 0 EDAERN O=C(NCc1nnc2n1CCCC2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120714577 442121946 /nfs/dbraw/zinc/12/19/46/442121946.db2.gz GURWQGMQLDNRFB-SUMWQHHRSA-N 0 0 333.436 1.451 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(C)c(F)cc2F)C[C@H]1C ZINC000175798631 442124220 /nfs/dbraw/zinc/12/42/20/442124220.db2.gz ABXKMGURTPMYGT-GFCCVEGCSA-N 0 0 348.415 1.614 10 0 EDAERN O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000151856948 442130109 /nfs/dbraw/zinc/13/01/09/442130109.db2.gz MTKHWXGGFWJJQY-ZBFHGGJFSA-N 0 0 331.347 1.253 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000151872068 442132282 /nfs/dbraw/zinc/13/22/82/442132282.db2.gz ZWSKROUOVWWGDW-MRXNPFEDSA-N 0 0 336.399 1.774 10 0 EDAERN COCCN1CCN(C(=O)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000120828107 442139287 /nfs/dbraw/zinc/13/92/87/442139287.db2.gz XZPDFUOOTLRREO-AWEZNQCLSA-N 0 0 336.432 1.425 10 0 EDAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126789574 442143400 /nfs/dbraw/zinc/14/34/00/442143400.db2.gz VLRMHWJWCVMCFF-CHWSQXEVSA-N 0 0 337.424 1.430 10 0 EDAERN NC(=O)COc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120860137 442143467 /nfs/dbraw/zinc/14/34/67/442143467.db2.gz CMUNJPTYYCGFRB-SCLBCKFNSA-N 0 0 332.400 1.318 10 0 EDAERN COC(=O)c1ccc(F)c(NC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000175923232 442146308 /nfs/dbraw/zinc/14/63/08/442146308.db2.gz TZOMZFICPBUMIN-NSHDSACASA-N 0 0 333.323 1.860 10 0 EDAERN COc1cc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2C)ccn1 ZINC000175696525 442107105 /nfs/dbraw/zinc/10/71/05/442107105.db2.gz NEIQWEJLVQSLSM-OAHLLOKOSA-N 0 0 329.404 1.969 10 0 EDAERN C[C@H](CNC(=O)NC[C@H](C[C@H](C)O)c1ccccc1)N1CCOCC1 ZINC000152149115 442172787 /nfs/dbraw/zinc/17/27/87/442172787.db2.gz WCYIAHXUNPBUMI-RYRKJORJSA-N 0 0 349.475 1.561 10 0 EDAERN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c(C)c1 ZINC000176098016 442175688 /nfs/dbraw/zinc/17/56/88/442175688.db2.gz JCTSFCKXQQMTSY-ZDUSSCGKSA-N 0 0 327.388 1.793 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(OC)nc1 ZINC000152174230 442176396 /nfs/dbraw/zinc/17/63/96/442176396.db2.gz DCUHVWLPGGPHCE-LBPRGKRZSA-N 0 0 330.392 1.578 10 0 EDAERN CNC(=O)COc1cccc(CC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000121336532 442204822 /nfs/dbraw/zinc/20/48/22/442204822.db2.gz APIUTAASGRFBBX-MRXNPFEDSA-N 0 0 340.379 1.604 10 0 EDAERN COC[C@@H](C)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000176265387 442202279 /nfs/dbraw/zinc/20/22/79/442202279.db2.gz JRYCRNWUJKHMOF-MRXNPFEDSA-N 0 0 332.444 1.963 10 0 EDAERN O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097046835 442158779 /nfs/dbraw/zinc/15/87/79/442158779.db2.gz RWNVCBCAMCDYJG-CYBMUJFWSA-N 0 0 348.380 1.652 10 0 EDAERN CCOCCC1(CNC(=O)N[C@H]2CCc3nc(CC)nn3C2)CC1 ZINC000127020359 442162717 /nfs/dbraw/zinc/16/27/17/442162717.db2.gz JZNKFWIZYVRZTO-ZDUSSCGKSA-N 0 0 335.452 1.661 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000127550381 442210532 /nfs/dbraw/zinc/21/05/32/442210532.db2.gz XGYIXHZHBFGPOL-DLBZAZTESA-N 0 0 343.427 1.162 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N(C(C)C)C3CC3)C2=O)n(C)n1 ZINC000176385910 442216992 /nfs/dbraw/zinc/21/69/92/442216992.db2.gz OVZQDLTXWPQRRV-AWEZNQCLSA-N 0 0 333.436 1.806 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1csc(CS(C)(=O)=O)n1 ZINC000176419670 442220067 /nfs/dbraw/zinc/22/00/67/442220067.db2.gz GGOYQVIFOCPYFA-SNVBAGLBSA-N 0 0 348.490 1.850 10 0 EDAERN O=C(NCc1nccn1CCCc1ccccc1)[C@H]1CNC(=O)C1 ZINC000176513235 442229796 /nfs/dbraw/zinc/22/97/96/442229796.db2.gz IDMWZXNGHPICJB-OAHLLOKOSA-N 0 0 326.400 1.268 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cnccn1 ZINC000176532226 442231492 /nfs/dbraw/zinc/23/14/92/442231492.db2.gz BCAADMNEQUXCIM-CQSZACIVSA-N 0 0 332.429 1.684 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C[C@@H]1C ZINC000127938487 442234830 /nfs/dbraw/zinc/23/48/30/442234830.db2.gz ZPJIBMXWZCNCHP-NWDGAFQWSA-N 0 0 349.406 1.238 10 0 EDAERN Cc1ccc(NC(=O)C[S@](=O)Cc2nnnn2C(C)C)cc1C ZINC000176572870 442236352 /nfs/dbraw/zinc/23/63/52/442236352.db2.gz FBYGSPGDHPZLDF-HSZRJFAPSA-N 0 0 335.433 1.758 10 0 EDAERN CCCN(CC(F)F)C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000152767906 442242158 /nfs/dbraw/zinc/24/21/58/442242158.db2.gz REKQMLYEWVZGEZ-SNVBAGLBSA-N 0 0 331.367 1.946 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCN1CCOC ZINC000153091442 442260598 /nfs/dbraw/zinc/26/05/98/442260598.db2.gz XXCVPAKTEQNITC-MRXNPFEDSA-N 0 0 343.431 1.655 10 0 EDAERN CC(C)CSCCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000153290849 442273885 /nfs/dbraw/zinc/27/38/85/442273885.db2.gz FYMXTHCMLWGXOD-OAHLLOKOSA-N 0 0 329.510 1.882 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCc1ccnc(-n2ccnc2)c1)C(C)C ZINC000170979596 442295408 /nfs/dbraw/zinc/29/54/08/442295408.db2.gz CXROYSNWBLKCGV-CQSZACIVSA-N 0 0 331.376 1.264 10 0 EDAERN COc1c(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)c(C)nn1C ZINC000153786912 442303108 /nfs/dbraw/zinc/30/31/08/442303108.db2.gz OQEPKUDJPPTZMJ-CYBMUJFWSA-N 0 0 332.408 1.308 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000170758489 442258643 /nfs/dbraw/zinc/25/86/43/442258643.db2.gz DEQDSAYHYFKKKP-WMZOPIPTSA-N 0 0 347.459 1.337 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177528819 442353831 /nfs/dbraw/zinc/35/38/31/442353831.db2.gz XVLBJWUUQAWTQA-INIZCTEOSA-N 0 0 342.399 1.830 10 0 EDAERN O=C(NCCCn1cnc2ccccc21)N[C@@H]1CCCn2ncnc21 ZINC000177323868 442328656 /nfs/dbraw/zinc/32/86/56/442328656.db2.gz ULIOYRGEWLSIOU-CQSZACIVSA-N 0 0 339.403 1.852 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000177397496 442336266 /nfs/dbraw/zinc/33/62/66/442336266.db2.gz UIPORHDTKIHFFX-INIZCTEOSA-N 0 0 329.400 1.524 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000177403204 442336862 /nfs/dbraw/zinc/33/68/62/442336862.db2.gz WQMTYSQGPBKQRC-MRXNPFEDSA-N 0 0 344.415 1.280 10 0 EDAERN Cc1cc(NC(=O)CSC[C@@H](O)CO)n(-c2ccc(F)cc2)n1 ZINC000177411062 442338234 /nfs/dbraw/zinc/33/82/34/442338234.db2.gz JKPQUWKWRFAQFL-ZDUSSCGKSA-N 0 0 339.392 1.345 10 0 EDAERN C[C@@H](SC[C@H](O)CO)C(=O)Nc1ncc(Cl)cc1Cl ZINC000177438864 442341639 /nfs/dbraw/zinc/34/16/39/442341639.db2.gz OPHRWUYZPJGIEK-HTRCEHHLSA-N 0 0 325.217 1.802 10 0 EDAERN O=C(CSC[C@H](O)CO)Nc1ccnn1Cc1cccs1 ZINC000177448231 442342418 /nfs/dbraw/zinc/34/24/18/442342418.db2.gz WNMDJSSYOZTJSJ-SNVBAGLBSA-N 0 0 327.431 1.018 10 0 EDAERN Cc1cncc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000153864735 442308056 /nfs/dbraw/zinc/30/80/56/442308056.db2.gz JJUCMWAIFWFHBM-CQSZACIVSA-N 0 0 328.420 1.919 10 0 EDAERN C[C@H]1CN(Cc2nc3ccccc3c(=O)n2C)C[C@@H]1N1CCOCC1 ZINC000177227588 442316009 /nfs/dbraw/zinc/31/60/09/442316009.db2.gz MNPSKORLAZJTRV-YOEHRIQHSA-N 0 0 342.443 1.086 10 0 EDAERN COc1ccc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000177229639 442316865 /nfs/dbraw/zinc/31/68/65/442316865.db2.gz BPIAVAMNXQNTEB-YOEHRIQHSA-N 0 0 333.432 1.557 10 0 EDAERN O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)C[C@@H](O)CO ZINC000177671889 442368812 /nfs/dbraw/zinc/36/88/12/442368812.db2.gz BIVIAGJOQDJPTE-LBPRGKRZSA-N 0 0 331.390 1.217 10 0 EDAERN CCc1nnc(Cn2cnc3c(cnn3-c3ccccc3C)c2=O)n1C ZINC000172045300 442403917 /nfs/dbraw/zinc/40/39/17/442403917.db2.gz KUCHMIFUKMTAPM-UHFFFAOYSA-N 0 0 349.398 1.630 10 0 EDAERN C[C@H]1CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CCS1 ZINC000171695566 442370898 /nfs/dbraw/zinc/37/08/98/442370898.db2.gz HFBZBDWZFAXFMT-AWEZNQCLSA-N 0 0 335.473 1.328 10 0 EDAERN C[C@H]1CN(C(=O)Nc2nnc(C(F)F)s2)C[C@@H]1N1CCOCC1 ZINC000177802437 442386346 /nfs/dbraw/zinc/38/63/46/442386346.db2.gz BKUCTUUURXYMCJ-IUCAKERBSA-N 0 0 347.391 1.660 10 0 EDAERN CSCCCCNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000133014585 442405140 /nfs/dbraw/zinc/40/51/40/442405140.db2.gz AZBXUJUNARPCEW-AWEZNQCLSA-N 0 0 326.466 1.745 10 0 EDAERN CCOC(=O)[C@@H](Cc1ccccc1)N[C@H]1CCc2nc(CC)nn2C1 ZINC000154826827 442359045 /nfs/dbraw/zinc/35/90/45/442359045.db2.gz UESXXCQGBCDVOU-JKSUJKDBSA-N 0 0 342.443 1.919 10 0 EDAERN CC(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000130988273 442361704 /nfs/dbraw/zinc/36/17/04/442361704.db2.gz VNKLCLFVPWMHEE-WMZOPIPTSA-N 0 0 347.434 1.898 10 0 EDAERN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)cc1F ZINC000178110586 442408662 /nfs/dbraw/zinc/40/86/62/442408662.db2.gz HZAMKUHPGWENNW-CJNGLKHVSA-N 0 0 334.391 1.986 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(CCS(=O)(=O)C(C)C)C2)n1 ZINC000178223815 442416682 /nfs/dbraw/zinc/41/66/82/442416682.db2.gz RSFVPLVKSRNHSI-HNNXBMFYSA-N 0 0 328.482 1.430 10 0 EDAERN CCn1cc(C(=O)C(=O)N2CCN(Cc3cnc(C)s3)CC2)cn1 ZINC000133759816 442432510 /nfs/dbraw/zinc/43/25/10/442432510.db2.gz FILJVMQUZDPGTR-UHFFFAOYSA-N 0 0 347.444 1.195 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCCc3ccccn3)CCO2)[nH]1 ZINC000178428821 442432957 /nfs/dbraw/zinc/43/29/57/442432957.db2.gz YIIVUPGSLLMSMU-AWEZNQCLSA-N 0 0 330.392 1.224 10 0 EDAERN CCc1nnc(CN2CCN(c3ccc(F)cc3OC)CC2)n1C ZINC000172306453 442440928 /nfs/dbraw/zinc/44/09/28/442440928.db2.gz VCOLPAVGQHDWNV-UHFFFAOYSA-N 0 0 333.411 1.847 10 0 EDAERN COc1ccc(C[C@@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000134089954 442450134 /nfs/dbraw/zinc/45/01/34/442450134.db2.gz WUHUTDOCDQXOQK-HIFRSBDPSA-N 0 0 343.431 1.780 10 0 EDAERN O=C(c1ccc(-c2ncon2)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172396282 442454618 /nfs/dbraw/zinc/45/46/18/442454618.db2.gz HGRDNEPHDXMDMX-CYBMUJFWSA-N 0 0 338.371 1.881 10 0 EDAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000156537205 442491546 /nfs/dbraw/zinc/49/15/46/442491546.db2.gz PWNWWYVFPFZUBH-DVOMOZLQSA-N 0 0 334.464 1.699 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CCO2)cn1 ZINC000191719734 442497392 /nfs/dbraw/zinc/49/73/92/442497392.db2.gz YZLIVGZYDJMMPM-IAQYHMDHSA-N 0 0 331.420 1.947 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1)C(C)C ZINC000178842456 442500527 /nfs/dbraw/zinc/50/05/27/442500527.db2.gz ILJLNAQGNFOYQH-NVXWUHKLSA-N 0 0 345.443 1.373 10 0 EDAERN CC(=O)NC1CN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000191731099 442501086 /nfs/dbraw/zinc/50/10/86/442501086.db2.gz DIZBAQAGMDXGFO-IBGZPJMESA-N 0 0 340.423 1.914 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cccc(F)c2Br)C1 ZINC000156615837 442501534 /nfs/dbraw/zinc/50/15/34/442501534.db2.gz MZPBVIWZXCBREL-VIFPVBQESA-N 0 0 331.185 1.649 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cccc(F)c2Br)C1 ZINC000156615710 442502416 /nfs/dbraw/zinc/50/24/16/442502416.db2.gz MZPBVIWZXCBREL-SECBINFHSA-N 0 0 331.185 1.649 10 0 EDAERN CN(C(=O)c1ccc2nccn2c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172433501 442460216 /nfs/dbraw/zinc/46/02/16/442460216.db2.gz GMFDZZXXLMJLGB-OAHLLOKOSA-N 0 0 336.399 1.865 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000191538725 442460293 /nfs/dbraw/zinc/46/02/93/442460293.db2.gz OWBKTSUFEGKFLJ-NSHDSACASA-N 0 0 336.461 1.484 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2c(C)[nH]c3ccc(Cl)cc32)C1 ZINC000186309979 442509650 /nfs/dbraw/zinc/50/96/50/442509650.db2.gz BFJVDUWLNJRWFQ-UHFFFAOYSA-N 0 0 335.791 1.717 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)C12CCOCC2 ZINC000186455100 442537608 /nfs/dbraw/zinc/53/76/08/442537608.db2.gz XUELBXSQLPXJIL-CABCVRRESA-N 0 0 332.400 1.490 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cc(C(N)=O)cs2)C12CCOCC2 ZINC000186458571 442538794 /nfs/dbraw/zinc/53/87/94/442538794.db2.gz OHNCVFWBKDZBNJ-QWHCGFSZSA-N 0 0 338.429 1.551 10 0 EDAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191911897 442538935 /nfs/dbraw/zinc/53/89/35/442538935.db2.gz NDUHXHFLPTYNOU-TUAOUCFPSA-N 0 0 328.434 1.874 10 0 EDAERN COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000180195745 442556106 /nfs/dbraw/zinc/55/61/06/442556106.db2.gz QXPRWWUUTRPMPT-XVKPBYJWSA-N 0 0 344.289 1.955 10 0 EDAERN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CNC(=O)C1 ZINC000191811749 442515124 /nfs/dbraw/zinc/51/51/24/442515124.db2.gz FJCNMXGPGSGMGZ-VHSXEESVSA-N 0 0 326.780 1.828 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)C1 ZINC000172738439 442529351 /nfs/dbraw/zinc/52/93/51/442529351.db2.gz FSKGCSNYPZLVGT-QLFBSQMISA-N 0 0 338.448 1.873 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C(=O)OC)C2)C1 ZINC000172738449 442529594 /nfs/dbraw/zinc/52/95/94/442529594.db2.gz FSKGCSNYPZLVGT-SOUVJXGZSA-N 0 0 338.448 1.873 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172742082 442530361 /nfs/dbraw/zinc/53/03/61/442530361.db2.gz XRQRXCBRTPTPFA-ZBFHGGJFSA-N 0 0 346.431 1.130 10 0 EDAERN Cc1cc(OCC(=O)N2CC[C@H](N3CCOCC3)C2)ccc1Cl ZINC000172745519 442531251 /nfs/dbraw/zinc/53/12/51/442531251.db2.gz NQOXMGGDYDICGJ-AWEZNQCLSA-N 0 0 338.835 1.960 10 0 EDAERN CC(C)(C)c1nc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000172749640 442532522 /nfs/dbraw/zinc/53/25/22/442532522.db2.gz BMUWKMVIEYFRNC-CQSZACIVSA-N 0 0 337.489 1.916 10 0 EDAERN CCC[C@@H](C(=O)Nc1cn(C)cc(Br)c1=O)N(C)C ZINC000180287394 442574030 /nfs/dbraw/zinc/57/40/30/442574030.db2.gz YMCBJHCRHGSPLT-NSHDSACASA-N 0 0 330.226 1.817 10 0 EDAERN C[C@H]1CN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CCN1S(C)(=O)=O ZINC000180286701 442574108 /nfs/dbraw/zinc/57/41/08/442574108.db2.gz RMTAACQRSUVKHT-CFVMTHIKSA-N 0 0 328.478 1.695 10 0 EDAERN Cc1noc(Cl)c1CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135309590 442579114 /nfs/dbraw/zinc/57/91/14/442579114.db2.gz MOAOPSZRMPORIP-NSHDSACASA-N 0 0 335.795 1.754 10 0 EDAERN C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nnc2n1CCCC2 ZINC000135344218 442582989 /nfs/dbraw/zinc/58/29/89/442582989.db2.gz BEOJNKAVUPWFJY-NSHDSACASA-N 0 0 338.375 1.081 10 0 EDAERN O=C(NOCc1ccc(F)cc1Br)[C@H]1CNC(=O)C1 ZINC000186653186 442583592 /nfs/dbraw/zinc/58/35/92/442583592.db2.gz DLHZAJOVXWGVJH-MRVPVSSYSA-N 0 0 331.141 1.272 10 0 EDAERN COc1ccc(CN2C[C@H](O)C[C@@H]2CO)c(Br)c1OC ZINC000179172341 442588693 /nfs/dbraw/zinc/58/86/93/442588693.db2.gz VUJWNDOYLXDFGC-GHMZBOCLSA-N 0 0 346.221 1.394 10 0 EDAERN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1O)N1CCOCC1 ZINC000180385082 442591316 /nfs/dbraw/zinc/59/13/16/442591316.db2.gz YGKOUQRZGZUNRF-SNVBAGLBSA-N 0 0 332.322 1.862 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000192103437 442593150 /nfs/dbraw/zinc/59/31/50/442593150.db2.gz QXUSEBRFHUCKBM-OAHLLOKOSA-N 0 0 340.464 1.820 10 0 EDAERN COCCOc1ccc(CC(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000192148758 442603940 /nfs/dbraw/zinc/60/39/40/442603940.db2.gz GCCVYINMPMHINC-INIZCTEOSA-N 0 0 344.415 1.806 10 0 EDAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000180465685 442606659 /nfs/dbraw/zinc/60/66/59/442606659.db2.gz NGQDKBBUOIJPKM-JTQLQIEISA-N 0 0 339.321 1.852 10 0 EDAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)N[C@H]1CCc3ncnn3C1)O2 ZINC000180466728 442606794 /nfs/dbraw/zinc/60/67/94/442606794.db2.gz LYRLVEDUXGHKIM-YRTQGLMCSA-N 0 0 349.435 1.214 10 0 EDAERN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000172922110 442568586 /nfs/dbraw/zinc/56/85/86/442568586.db2.gz RJSHCURXTWRFTO-QGZVFWFLSA-N 0 0 345.443 1.329 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCCn2cccn2)C1 ZINC000192368154 442641050 /nfs/dbraw/zinc/64/10/50/442641050.db2.gz LPSFOIXMYBZVAW-QWHCGFSZSA-N 0 0 334.380 1.136 10 0 EDAERN CCCOc1cccc(CCNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000136193429 442654839 /nfs/dbraw/zinc/65/48/39/442654839.db2.gz WHXYQXZMLSGHDU-KRWDZBQOSA-N 0 0 335.448 1.648 10 0 EDAERN C[C@H](O)CNC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000192512541 442655994 /nfs/dbraw/zinc/65/59/94/442655994.db2.gz YXOVOIYOFCNGTF-WMLDXEAASA-N 0 0 335.448 1.112 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)C(=O)c2cnn(CC)c2)C12CCOCC2 ZINC000187147258 442656556 /nfs/dbraw/zinc/65/65/56/442656556.db2.gz JYVNVZHPTORUIQ-KBPBESRZSA-N 0 0 335.404 1.176 10 0 EDAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)CC3CCOCC3)C2)c1 ZINC000173139563 442610668 /nfs/dbraw/zinc/61/06/68/442610668.db2.gz XLBLCESTACGBAS-OAHLLOKOSA-N 0 0 327.450 1.585 10 0 EDAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]1C ZINC000173166150 442615677 /nfs/dbraw/zinc/61/56/77/442615677.db2.gz CWUJKRAMJDUFEI-DOMZBBRYSA-N 0 0 349.456 1.761 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCCC2)O1)N[C@H]1CCCn2ncnc21 ZINC000180761017 442657075 /nfs/dbraw/zinc/65/70/75/442657075.db2.gz BSNLSJDOACNUFQ-KGLIPLIRSA-N 0 0 349.435 1.878 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000192232194 442619497 /nfs/dbraw/zinc/61/94/97/442619497.db2.gz CUAYAMUMVFIHJF-CYBMUJFWSA-N 0 0 346.493 1.607 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192243926 442621598 /nfs/dbraw/zinc/62/15/98/442621598.db2.gz CRBNCJYIONKJCT-GXTWGEPZSA-N 0 0 325.453 1.842 10 0 EDAERN CNc1ncc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000179336705 442624998 /nfs/dbraw/zinc/62/49/98/442624998.db2.gz NQIGCSCCYGMUCN-JTQLQIEISA-N 0 0 337.426 1.833 10 0 EDAERN COC(=O)[C@H](C)CS(=O)(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180599984 442630528 /nfs/dbraw/zinc/63/05/28/442630528.db2.gz BNBOGIKKHPSTLW-ZOWXZIJZSA-N 0 0 325.430 1.957 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187477021 442678217 /nfs/dbraw/zinc/67/82/17/442678217.db2.gz GOEWACLEAQDGHA-GFCCVEGCSA-N 0 0 339.342 1.474 10 0 EDAERN O=C(N1C[C@@H](c2ccsc2)[C@H](CO)C1)C(F)(F)C1(O)CCC1 ZINC000187663315 442684844 /nfs/dbraw/zinc/68/48/44/442684844.db2.gz VKKGRESIWNRQEU-RYUDHWBXSA-N 0 0 331.384 1.833 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)C(F)(F)c2ncccc2C)n1 ZINC000192819899 442689143 /nfs/dbraw/zinc/68/91/43/442689143.db2.gz VRFVHBGLEIPNED-LLVKDONJSA-N 0 0 338.314 1.773 10 0 EDAERN Cc1nnc([C@@H]2CN(CCC(=O)OCc3ccccc3)CCO2)[nH]1 ZINC000181466018 442698766 /nfs/dbraw/zinc/69/87/66/442698766.db2.gz XQROLZRYVYUAEG-HNNXBMFYSA-N 0 0 330.388 1.620 10 0 EDAERN COC(=O)c1coc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000181570751 442704594 /nfs/dbraw/zinc/70/45/94/442704594.db2.gz QPXUTGGCRCGSJU-JTQLQIEISA-N 0 0 338.385 1.564 10 0 EDAERN Cc1noc(CCCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000136354154 442660959 /nfs/dbraw/zinc/66/09/59/442660959.db2.gz KSNMVUXQIFJAEE-AWEZNQCLSA-N 0 0 344.419 1.618 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCC(=O)C1CC1)C(C)C ZINC000180819830 442662433 /nfs/dbraw/zinc/66/24/33/442662433.db2.gz ZCIBVSLQPNVFTI-INIZCTEOSA-N 0 0 332.400 1.545 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2)C12CCOCC2 ZINC000187289419 442667826 /nfs/dbraw/zinc/66/78/26/442667826.db2.gz XRCALHBMXWRURU-GJZGRUSLSA-N 0 0 332.400 1.716 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000193212457 442722800 /nfs/dbraw/zinc/72/28/00/442722800.db2.gz LPFOGHBZFAICKM-SECBINFHSA-N 0 0 346.455 1.435 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O ZINC000193381459 442737611 /nfs/dbraw/zinc/73/76/11/442737611.db2.gz BXRNBEIVWBTGQK-GDBMZVCRSA-N 0 0 337.391 1.921 10 0 EDAERN O=C(CCc1nnc(C2CCCC2)o1)N1CC(NC(=O)C2CCC2)C1 ZINC000188469117 442753263 /nfs/dbraw/zinc/75/32/63/442753263.db2.gz KURAVGRXGYGPMV-UHFFFAOYSA-N 0 0 346.431 1.787 10 0 EDAERN O=C(CCC1CCCC1)NCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188479481 442755036 /nfs/dbraw/zinc/75/50/36/442755036.db2.gz QYFBGEYINFOOEM-UHFFFAOYSA-N 0 0 335.448 1.200 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000188084916 442709684 /nfs/dbraw/zinc/70/96/84/442709684.db2.gz JEOARGYMXYBHAF-QMMMGPOBSA-N 0 0 338.458 1.774 10 0 EDAERN Cc1c(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cnn1-c1ccccn1 ZINC000246732420 442808034 /nfs/dbraw/zinc/80/80/34/442808034.db2.gz MKCGXEHBJKUIDE-KBPBESRZSA-N 0 0 343.431 1.103 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000188716789 442795734 /nfs/dbraw/zinc/79/57/34/442795734.db2.gz UBSGWIAJFONYND-QNWHQSFQSA-N 0 0 330.400 1.970 10 0 EDAERN CC[C@H](CO)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000182344928 442758821 /nfs/dbraw/zinc/75/88/21/442758821.db2.gz ZGOPTMSIOMASSG-ZIAGYGMSSA-N 0 0 326.824 1.982 10 0 EDAERN COc1ccccc1CCCS(=O)(=O)Cc1nnnn1C(C)C ZINC000182362296 442760404 /nfs/dbraw/zinc/76/04/04/442760404.db2.gz HOOMLUKKUDARJJ-UHFFFAOYSA-N 0 0 338.433 1.810 10 0 EDAERN CCCCCNC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182396517 442763355 /nfs/dbraw/zinc/76/33/55/442763355.db2.gz FYTODSDVZQNXQO-LBPRGKRZSA-N 0 0 344.481 1.548 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000188564795 442763909 /nfs/dbraw/zinc/76/39/09/442763909.db2.gz ZYPASJSCXSEDFK-UHFFFAOYSA-N 0 0 338.307 1.094 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000188575105 442764794 /nfs/dbraw/zinc/76/47/94/442764794.db2.gz IYMYSGZTAYKVNM-DDHOLCJHSA-N 0 0 326.343 1.466 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000188598012 442767141 /nfs/dbraw/zinc/76/71/41/442767141.db2.gz PKUNOXOXAXJISF-CZUORRHYSA-N 0 0 348.424 1.852 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000188883341 442835128 /nfs/dbraw/zinc/83/51/28/442835128.db2.gz XTYVLDBDLCWTAL-IEBDPFPHSA-N 0 0 326.318 1.944 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188876545 442833505 /nfs/dbraw/zinc/83/35/05/442833505.db2.gz YNCLPCVDNHIPMI-STQMWFEESA-N 0 0 342.442 1.750 10 0 EDAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000188790263 442813995 /nfs/dbraw/zinc/81/39/95/442813995.db2.gz JYBKETCJETZBHO-ZLDLUXBVSA-N 0 0 334.420 1.460 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246918949 442821836 /nfs/dbraw/zinc/82/18/36/442821836.db2.gz GLADDJROGUAXQV-CABCVRRESA-N 0 0 333.432 1.155 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000182779534 442823091 /nfs/dbraw/zinc/82/30/91/442823091.db2.gz NRWPLAJTIBMOFD-GDBMZVCRSA-N 0 0 333.432 1.043 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000188839298 442824650 /nfs/dbraw/zinc/82/46/50/442824650.db2.gz ILIAYIIUCHNRNZ-IUDNXUCKSA-N 0 0 349.475 1.589 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C)CCN1C[C@H](C)O ZINC000246979964 442825810 /nfs/dbraw/zinc/82/58/10/442825810.db2.gz JRGOVPQXGLCPQE-JKSUJKDBSA-N 0 0 347.459 1.546 10 0 EDAERN CC(=O)N(CCC(=O)N1CCCNC(=O)[C@H]1C)Cc1ccccc1 ZINC000188888595 442836130 /nfs/dbraw/zinc/83/61/30/442836130.db2.gz HWZYXTZSIWTSKG-CQSZACIVSA-N 0 0 331.416 1.162 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC(c2nncn2C)CC1)C(C)C ZINC000194147794 442851484 /nfs/dbraw/zinc/85/14/84/442851484.db2.gz RKVHRIIBWHUFLP-INIZCTEOSA-N 0 0 349.479 1.708 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](C)N1CCCCC1=O ZINC000194266363 442868587 /nfs/dbraw/zinc/86/85/87/442868587.db2.gz UMGRYXVXFDCZEC-UONOGXRCSA-N 0 0 346.431 1.714 10 0 EDAERN CN(C)c1cccc(CCC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000194296803 442873424 /nfs/dbraw/zinc/87/34/24/442873424.db2.gz FJXMTYHBDUJLRX-GOSISDBHSA-N 0 0 342.443 1.809 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)CC[C@@H]3CCOC3)CC2)n1 ZINC000177352054 318444367 /nfs/dbraw/zinc/44/43/67/318444367.db2.gz BSEZXDAKXDWKHX-UONOGXRCSA-N 0 0 336.436 1.654 10 0 EDAERN COc1ccc([C@H](C)CCNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000189116046 442880834 /nfs/dbraw/zinc/88/08/34/442880834.db2.gz XKNVCBJOWQGEGP-SRCQZFHVSA-N 0 0 334.416 1.287 10 0 EDAERN CC(C)n1nnnc1CN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179568636 318460327 /nfs/dbraw/zinc/46/03/27/318460327.db2.gz OTFUUEWFMVLUKD-OAHLLOKOSA-N 0 0 328.420 1.707 10 0 EDAERN CN(CC1(CO)CC1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000189162333 442889232 /nfs/dbraw/zinc/88/92/32/442889232.db2.gz LWWHIUZLAQTHLL-GDBMZVCRSA-N 0 0 334.391 1.576 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)Cn2ccc(C)cc2=O)CC1 ZINC000194607361 442921148 /nfs/dbraw/zinc/92/11/48/442921148.db2.gz INHAQVNKQPWKQQ-UHFFFAOYSA-N 0 0 329.404 1.174 10 0 EDAERN CCOC(C)(C)CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000189361886 442929467 /nfs/dbraw/zinc/92/94/67/442929467.db2.gz BLFMCUASXHTWAR-LLVKDONJSA-N 0 0 325.413 1.374 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](COC)c1ccc(Cl)cc1 ZINC000194647355 442931129 /nfs/dbraw/zinc/93/11/29/442931129.db2.gz UCCKQYZRXBDZIF-ZIAGYGMSSA-N 0 0 339.823 1.948 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)n1C ZINC000194651220 442932376 /nfs/dbraw/zinc/93/23/76/442932376.db2.gz BVSKBGJLZUFMAK-MRXNPFEDSA-N 0 0 345.428 1.723 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194689094 442937239 /nfs/dbraw/zinc/93/72/39/442937239.db2.gz JELTWLJSDLHELT-INIZCTEOSA-N 0 0 331.416 1.645 10 0 EDAERN CC(=O)N[C@H](CC(=O)N1CC(NC(=O)C2CC2)C1)c1ccc(C)cc1 ZINC000189453566 442958319 /nfs/dbraw/zinc/95/83/19/442958319.db2.gz FSKPYWZGCFFULI-QGZVFWFLSA-N 0 0 343.427 1.299 10 0 EDAERN COc1cc(Br)c(NC(=O)[C@@H]2CNC(=O)C2)cc1OC ZINC000194821622 442958551 /nfs/dbraw/zinc/95/85/51/442958551.db2.gz XTWNOQZBYVDPSU-ZETCQYMHSA-N 0 0 343.177 1.541 10 0 EDAERN Cn1ccnc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1=O ZINC000183863288 442972011 /nfs/dbraw/zinc/97/20/11/442972011.db2.gz UZKHWEMXNHCUJS-CABCVRRESA-N 0 0 342.399 1.900 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000183908895 442974450 /nfs/dbraw/zinc/97/44/50/442974450.db2.gz CWYCJHIASAQULV-ZDUSSCGKSA-N 0 0 341.481 1.283 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000184022255 442983993 /nfs/dbraw/zinc/98/39/93/442983993.db2.gz OXDLPJIBNYKXQT-ZDUSSCGKSA-N 0 0 341.481 1.283 10 0 EDAERN O=S(=O)(CCc1cccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000189667082 442991312 /nfs/dbraw/zinc/99/13/12/442991312.db2.gz MBXQCFVDFYLFHM-ZDUSSCGKSA-N 0 0 330.475 1.027 10 0 EDAERN CC(C)OC(=O)C[C@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000184128350 442993960 /nfs/dbraw/zinc/99/39/60/442993960.db2.gz PTZUBXWBGZVGHF-ZIAGYGMSSA-N 0 0 349.435 1.876 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](O)C2(C)C)C1 ZINC000250144307 443011310 /nfs/dbraw/zinc/01/13/10/443011310.db2.gz ZNPXMCGTHTURJR-RWMBFGLXSA-N 0 0 326.437 1.909 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000189855065 443019891 /nfs/dbraw/zinc/01/98/91/443019891.db2.gz PTMWKRUBJORFPJ-CHWSQXEVSA-N 0 0 330.306 1.303 10 0 EDAERN CCn1c(-c2cc(OC)cc(OC)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512058 443025914 /nfs/dbraw/zinc/02/59/14/443025914.db2.gz AIHNONMMOMIEAT-UHFFFAOYSA-N 0 0 344.371 1.610 10 0 EDAERN O=C(CN1CCO[C@@H](c2nccs2)C1)NC(=O)NC1CCCC1 ZINC000195521197 443028594 /nfs/dbraw/zinc/02/85/94/443028594.db2.gz CUGPYEBCMREUBB-GFCCVEGCSA-N 0 0 338.433 1.285 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCOc1ncccc1Cl ZINC000184499317 443030262 /nfs/dbraw/zinc/03/02/62/443030262.db2.gz PNGQRMOPEGXSOL-CQSZACIVSA-N 0 0 341.839 1.731 10 0 EDAERN CCn1cc(CN(C)C(=O)c2nc3ccccc3[nH]c2=O)c(C)n1 ZINC000223337257 443088154 /nfs/dbraw/zinc/08/81/54/443088154.db2.gz SIJXBDNYZDFFBG-UHFFFAOYSA-N 0 0 325.372 1.720 10 0 EDAERN CCO[C@H]1CCN(c2c(N)cnn2C)CC[C@H]1NC(=O)C(F)(F)F ZINC000220548420 443066656 /nfs/dbraw/zinc/06/66/56/443066656.db2.gz AOJVPBXVECZIIP-MNOVXSKESA-N 0 0 349.357 1.055 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)C[C@H]1C ZINC000253548779 443072775 /nfs/dbraw/zinc/07/27/75/443072775.db2.gz DXPFRROBCUOPQO-HCCHORAYSA-N 0 0 328.456 1.804 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000190231318 443073701 /nfs/dbraw/zinc/07/37/01/443073701.db2.gz JWLXBTXBFPNCOF-GFCCVEGCSA-N 0 0 327.388 1.463 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)C12CCOCC2 ZINC000185078431 443131915 /nfs/dbraw/zinc/13/19/15/443131915.db2.gz JYRTWBNZTPLZNS-ZIAGYGMSSA-N 0 0 340.464 1.629 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NC3Cc4ccccc4C3)CCO2)[nH]1 ZINC000184934435 443101628 /nfs/dbraw/zinc/10/16/28/443101628.db2.gz KKXZRDMROPRDLX-OAHLLOKOSA-N 0 0 341.415 1.617 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3c(C)cccc3F)CCO2)[nH]1 ZINC000184965940 443107600 /nfs/dbraw/zinc/10/76/00/443107600.db2.gz XZJGGRMXBKBKFX-GFCCVEGCSA-N 0 0 340.380 1.323 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000184974286 443109606 /nfs/dbraw/zinc/10/96/06/443109606.db2.gz SKDXPTBIUJHYCD-BBWFWOEESA-N 0 0 335.423 1.780 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cc3cc(-c4cnn(C)c4)no3)CCO2)c1 ZINC000184999799 443115545 /nfs/dbraw/zinc/11/55/45/443115545.db2.gz QAADNKIDPMZQFS-MRXNPFEDSA-N 0 0 342.403 1.481 10 0 EDAERN CCc1nnc([C@@H]2CC(F)(F)CN2S(=O)(=O)c2cn(C)cn2)o1 ZINC000257188013 443120738 /nfs/dbraw/zinc/12/07/38/443120738.db2.gz CZQCMXPCWCWJRF-QMMMGPOBSA-N 0 0 347.347 1.137 10 0 EDAERN COCC(=O)N[C@@H]1CCC12CCN(C(=O)c1ccc(C)nc1)CC2 ZINC000257190171 443120909 /nfs/dbraw/zinc/12/09/09/443120909.db2.gz OLOCEROKPVDOQS-OAHLLOKOSA-N 0 0 331.416 1.537 10 0 EDAERN COCCn1ccc(C(=O)N[C@H](CC(=O)OC)c2ccccc2)n1 ZINC000190511578 443123705 /nfs/dbraw/zinc/12/37/05/443123705.db2.gz FUSUOWQMZGWEFF-OAHLLOKOSA-N 0 0 331.372 1.564 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3snnc3C)CC2)cn1 ZINC000190514454 443124387 /nfs/dbraw/zinc/12/43/87/443124387.db2.gz UNCVYXNAVHIRBV-UHFFFAOYSA-N 0 0 334.449 1.411 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 ZINC000190528580 443129100 /nfs/dbraw/zinc/12/91/00/443129100.db2.gz CGXHLBQYTDQHIV-UHFFFAOYSA-N 0 0 349.284 1.321 10 0 EDAERN CC[C@H](COC)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190716475 443169520 /nfs/dbraw/zinc/16/95/20/443169520.db2.gz ZUEOIZJBQFOIPE-DLBZAZTESA-N 0 0 334.464 1.970 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000185296582 443177807 /nfs/dbraw/zinc/17/78/07/443177807.db2.gz WZQYDRKKVUZUTO-UHFFFAOYSA-N 0 0 332.278 1.172 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](c2ccccc2)C2CCC2)C1 ZINC000185371088 443190029 /nfs/dbraw/zinc/19/00/29/443190029.db2.gz AXSPJHYBLNECDC-KRWDZBQOSA-N 0 0 331.416 1.684 10 0 EDAERN CO[C@@H](C)CNC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000190668977 443160073 /nfs/dbraw/zinc/16/00/73/443160073.db2.gz YFXGSWJJJSTEMK-JSGCOSHPSA-N 0 0 341.477 1.764 10 0 EDAERN CCCCN(CCO)C(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185668999 443236556 /nfs/dbraw/zinc/23/65/56/443236556.db2.gz ICJRZKAJVJUJLI-LSDHHAIUSA-N 0 0 328.453 1.765 10 0 EDAERN COCC1=CCN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000185475002 443206067 /nfs/dbraw/zinc/20/60/67/443206067.db2.gz FQVJNIYHUGJXQN-CQSZACIVSA-N 0 0 333.436 1.704 10 0 EDAERN Cc1csc(C(=O)NC[C@H]2CN(C)CCO2)c1Br ZINC000190908816 443207636 /nfs/dbraw/zinc/20/76/36/443207636.db2.gz VIFNGUFAYXXQPX-VIFPVBQESA-N 0 0 333.251 1.879 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2cc(C)c(O)c(C)c2)CC1 ZINC000190914323 443208664 /nfs/dbraw/zinc/20/86/64/443208664.db2.gz KZICKSAEYHYWCQ-KRWDZBQOSA-N 0 0 349.475 1.650 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccccc1Br ZINC000191315199 443277217 /nfs/dbraw/zinc/27/72/17/443277217.db2.gz BETOAINHSNKLOL-SNVBAGLBSA-N 0 0 340.221 1.869 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C[C@H](O)c3ccccc3)CC2)nn1 ZINC000191335532 443280293 /nfs/dbraw/zinc/28/02/93/443280293.db2.gz YIWPISRANPIZIT-SFHVURJKSA-N 0 0 343.475 1.884 10 0 EDAERN Cc1ccc(N2CCCN(Cc3cn(C(C)(C)C)nn3)CC2)nn1 ZINC000191333658 443280339 /nfs/dbraw/zinc/28/03/39/443280339.db2.gz OYQFGJIHRLGXBZ-UHFFFAOYSA-N 0 0 329.452 1.844 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(=O)[nH]c(C4CC4)c3)CCO2)[nH]1 ZINC000185928986 443285884 /nfs/dbraw/zinc/28/58/84/443285884.db2.gz MPZZGOGKNYNXCE-ZDUSSCGKSA-N 0 0 343.387 1.147 10 0 EDAERN C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)c1nccs1 ZINC000185965535 443291812 /nfs/dbraw/zinc/29/18/12/443291812.db2.gz VBGQNPGCJIABAT-WCQYABFASA-N 0 0 332.429 1.642 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC000191487961 443301375 /nfs/dbraw/zinc/30/13/75/443301375.db2.gz FNSVRUHGGVLLAD-UHFFFAOYSA-N 0 0 343.408 1.961 10 0 EDAERN CN(Cc1nc(C2CC2)no1)C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328629215 444402726 /nfs/dbraw/zinc/40/27/26/444402726.db2.gz HYZIRPVVHOVMMT-STQMWFEESA-N 0 0 332.383 1.786 10 0 EDAERN CC(=O)N1CCCC[C@H]1c1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)n1C ZINC000328625975 444400534 /nfs/dbraw/zinc/40/05/34/444400534.db2.gz LGNRNTQXJPYCOU-UXLLHSPISA-N 0 0 345.443 1.765 10 0 EDAERN CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N1CC(NC(=O)COC)C1 ZINC000492688881 448257602 /nfs/dbraw/zinc/25/76/02/448257602.db2.gz LFGRVSWEAUHKAR-CFYYFVFUSA-N 0 0 346.427 1.851 10 0 EDAERN O=C(NCC(C1CCC1)C1CCC1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000528101406 448432442 /nfs/dbraw/zinc/43/24/42/448432442.db2.gz CNZOGKDLGQJDQR-QGZVFWFLSA-N 0 0 333.436 1.624 10 0 EDAERN COc1cc(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)ccc1Cl ZINC000583617844 448445672 /nfs/dbraw/zinc/44/56/72/448445672.db2.gz YYJOQSJWQDSHRC-HNNXBMFYSA-N 0 0 336.779 1.591 10 0 EDAERN CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618941 448448199 /nfs/dbraw/zinc/44/81/99/448448199.db2.gz KZKIYLVQQCGVLU-QGZVFWFLSA-N 0 0 346.435 1.795 10 0 EDAERN C/C(=C/c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)o1)C(C)(C)C ZINC000583622845 448453755 /nfs/dbraw/zinc/45/37/55/448453755.db2.gz VZAVLXBNTSDBQY-IEHMKBBKSA-N 0 0 329.422 1.852 10 0 EDAERN CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](Cc1ccccc1)C(N)=O ZINC000584602380 448584146 /nfs/dbraw/zinc/58/41/46/448584146.db2.gz XAEUFPMMLDCWKV-HZPDHXFCSA-N 0 0 333.432 1.092 10 0 EDAERN O=C(NCc1ccc(C2CC2)cc1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000567218618 448640264 /nfs/dbraw/zinc/64/02/64/448640264.db2.gz JCJSYHQAUMHYRV-OAHLLOKOSA-N 0 0 327.388 1.965 10 0 EDAERN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CS(=O)(=O)NCc2ccco2)C1 ZINC000521396678 448979991 /nfs/dbraw/zinc/97/99/91/448979991.db2.gz ODHSMVJCJNNOAD-IPYPFGDCSA-N 0 0 340.445 1.594 10 0 EDAERN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NCc2ccco2)C1 ZINC000521396679 448980245 /nfs/dbraw/zinc/98/02/45/448980245.db2.gz ODHSMVJCJNNOAD-NFAWXSAZSA-N 0 0 340.445 1.594 10 0 EDAERN O=C(NC1CC(CO)C1)c1ccc(F)cc1I ZINC000598531708 449448010 /nfs/dbraw/zinc/44/80/10/449448010.db2.gz VOIJYDVZYWDUCJ-UHFFFAOYSA-N 0 0 349.143 1.931 10 0 EDAERN COC(=O)C1=CC=C2NC(c3ccc(S(C)(=O)=O)cc3)=CN2C1 ZINC000616217876 450357589 /nfs/dbraw/zinc/35/75/89/450357589.db2.gz GUQIFWFUWPVGGR-UHFFFAOYSA-N 0 0 332.381 1.248 10 0 EDAERN CCOC(=O)c1ccccc1[C@@H]1CN(S(C)(=O)=O)CCCO1 ZINC000616650903 450457711 /nfs/dbraw/zinc/45/77/11/450457711.db2.gz LWQKQGFOFGXYNR-AWEZNQCLSA-N 0 0 327.402 1.586 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1cccnc1N ZINC000616649682 450458167 /nfs/dbraw/zinc/45/81/67/450458167.db2.gz WBRIYWFAZLGBJB-AWEZNQCLSA-N 0 0 336.436 1.952 10 0 EDAERN CS(=O)(=O)N1C[C@H](c2cccc(C(N)=O)c2)Cc2ccccc21 ZINC000616672614 450458494 /nfs/dbraw/zinc/45/84/94/450458494.db2.gz HIKZYTKGNARGMT-OAHLLOKOSA-N 0 0 330.409 1.891 10 0 EDAERN Nc1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)cn1 ZINC000616665418 450458702 /nfs/dbraw/zinc/45/87/02/450458702.db2.gz WJTFWDXUACMLKU-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2cccc3ccnnc32)Nc2ccccc21 ZINC000616681547 450459935 /nfs/dbraw/zinc/45/99/35/450459935.db2.gz XNTKADJHTLPXNJ-AWEZNQCLSA-N 0 0 341.396 1.807 10 0 EDAERN NC(=O)C[C@@]1(O)CCCN(C(=O)CCc2ccc3ccccc3n2)C1 ZINC000643994755 452903765 /nfs/dbraw/zinc/90/37/65/452903765.db2.gz NPZFPYOBJCCJDK-IBGZPJMESA-N 0 0 341.411 1.396 10 0 EDAERN O=C(CCn1ccc2ccccc21)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671603205 486662296 /nfs/dbraw/zinc/66/22/96/486662296.db2.gz LEIRRQKNUMLEKA-SFHVURJKSA-N 0 0 339.399 1.287 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)cc1 ZINC000074775097 486798832 /nfs/dbraw/zinc/79/88/32/486798832.db2.gz SXWONJCSUUOSLX-OAHLLOKOSA-N 0 0 342.461 1.425 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccccc1Br ZINC000074774592 486019796 /nfs/dbraw/zinc/01/97/96/486019796.db2.gz BYCLNLIBUZMGCI-LLVKDONJSA-N 0 0 327.222 1.852 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)cc1 ZINC000074863439 491015342 /nfs/dbraw/zinc/01/53/42/491015342.db2.gz ZZWLWRAFMGYYPW-GFCCVEGCSA-N 0 0 326.418 1.230 10 0 EDAERN C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)C(=O)N1CCOCC1 ZINC000130137384 533746149 /nfs/dbraw/zinc/74/61/49/533746149.db2.gz RPDFZWPSOGBIFO-QMMMGPOBSA-N 0 0 332.187 1.366 10 0 EDAERN COc1cc(CNC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)ccn1 ZINC000170888763 533842535 /nfs/dbraw/zinc/84/25/35/533842535.db2.gz JVSNSEVMYKUJMI-AWEZNQCLSA-N 0 0 345.403 1.946 10 0 EDAERN C[C@H](NS(=O)(=O)Cc1ccccc1C(N)=S)[C@H]1CCOC1 ZINC000166237514 533957311 /nfs/dbraw/zinc/95/73/11/533957311.db2.gz RKIHYCXUSQAFBW-QWRGUYRKSA-N 0 0 328.459 1.165 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(F)c(Cl)c(CO)c1)[C@H]1CCOC1 ZINC000167039764 533965163 /nfs/dbraw/zinc/96/51/63/533965163.db2.gz JWLQPXKLUJAVBZ-IUCAKERBSA-N 0 0 337.800 1.675 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)CC(C)=O)C(C)C ZINC000129379869 533976065 /nfs/dbraw/zinc/97/60/65/533976065.db2.gz FPGNXMOQHHARTD-LRDDRELGSA-N 0 0 334.416 1.933 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)n1 ZINC000190139424 534031392 /nfs/dbraw/zinc/03/13/92/534031392.db2.gz BBUJCGHPBBMLAW-CQSZACIVSA-N 0 0 343.387 1.814 10 0 EDAERN C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000159100176 534173782 /nfs/dbraw/zinc/17/37/82/534173782.db2.gz IVZPKQXQZFMWTJ-YUMQZZPRSA-N 0 0 335.838 1.847 10 0 EDAERN C[C@]1(NS(=O)(=O)c2ccc(Br)cc2N)CCOC1 ZINC000161595205 534182136 /nfs/dbraw/zinc/18/21/36/534182136.db2.gz NMZMUWAMLOQIKH-NSHDSACASA-N 0 0 335.223 1.489 10 0 EDAERN COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164727078 534212499 /nfs/dbraw/zinc/21/24/99/534212499.db2.gz RXLLNRSKBAUBFE-VIFPVBQESA-N 0 0 334.825 1.660 10 0 EDAERN Cc1ccoc1C(=O)NCCCNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000133216662 534436804 /nfs/dbraw/zinc/43/68/04/534436804.db2.gz WOZSNQNHIFMPGX-GFCCVEGCSA-N 0 0 347.371 1.236 10 0 EDAERN O=C(CN1CCC[C@H](n2cncn2)C1)NCc1ccc(Cl)cc1 ZINC000171704320 534535009 /nfs/dbraw/zinc/53/50/09/534535009.db2.gz YPAPFXWVOFOAEX-HNNXBMFYSA-N 0 0 333.823 1.885 10 0 EDAERN Cc1cccc(C)c1OCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171868400 534684595 /nfs/dbraw/zinc/68/45/95/534684595.db2.gz ZEFUDKLXCIDTFS-CQSZACIVSA-N 0 0 329.404 1.588 10 0 EDAERN CC(C)(C)NC(=O)NC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000195521232 534708168 /nfs/dbraw/zinc/70/81/68/534708168.db2.gz VCIJZUMJRSYUOX-SNVBAGLBSA-N 0 0 326.422 1.141 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)C1(c2ccccc2)CCOCC1 ZINC000177577374 534806701 /nfs/dbraw/zinc/80/67/01/534806701.db2.gz BBYAJBWICIKFJC-HNNXBMFYSA-N 0 0 326.400 1.978 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3nnc(C)s3)C2)n1 ZINC000172046191 534886204 /nfs/dbraw/zinc/88/62/04/534886204.db2.gz HLVFXKPSJAIONB-LBPRGKRZSA-N 0 0 335.437 1.999 10 0 EDAERN O=c1[n-]cnc(OCC[C@@H]2CCC[NH2+]C2)c1I ZINC000165283564 534889965 /nfs/dbraw/zinc/88/99/65/534889965.db2.gz BRBNSAPOCFFBGC-QMMMGPOBSA-N 0 0 349.172 1.143 10 0 EDAERN CC(=O)NC1(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CCCCC1 ZINC000135279258 526694074 /nfs/dbraw/zinc/69/40/74/526694074.db2.gz DKIIUOUUFGTHGE-OAHLLOKOSA-N 0 0 345.447 1.401 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000189731778 526708606 /nfs/dbraw/zinc/70/86/06/526708606.db2.gz YKRAEUSLKPEWQJ-UHFFFAOYSA-N 0 0 327.837 1.962 10 0 EDAERN CC(C)(C)c1nc(N)cc(N2CCSC[C@@H]2S(C)(=O)=O)n1 ZINC000163875833 526867988 /nfs/dbraw/zinc/86/79/88/526867988.db2.gz GPUBJYCONWOSDP-NSHDSACASA-N 0 0 330.479 1.280 10 0 EDAERN CCN(C)c1cnn(Cc2c(Br)c(C)nn2C)c(=O)c1 ZINC000165321367 527871492 /nfs/dbraw/zinc/87/14/92/527871492.db2.gz AXUBRNSMEITPSM-UHFFFAOYSA-N 0 0 340.225 1.552 10 0 EDAERN CCCN(CC(=O)NC)C(=O)c1cc(N)cc(Br)c1 ZINC000165728229 527890043 /nfs/dbraw/zinc/89/00/43/527890043.db2.gz OAZGSQIIHJXIOE-UHFFFAOYSA-N 0 0 328.210 1.630 10 0 EDAERN CC(C)OCCN1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000174215627 527959571 /nfs/dbraw/zinc/95/95/71/527959571.db2.gz WBMIASMNDUUYFY-MRXNPFEDSA-N 0 0 333.432 1.872 10 0 EDAERN CCOC(=O)c1cn(C)nc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000184008237 528281594 /nfs/dbraw/zinc/28/15/94/528281594.db2.gz DFHRKIJZBFLUKU-CYBMUJFWSA-N 0 0 346.391 1.699 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1O)CC2 ZINC000152722264 528334109 /nfs/dbraw/zinc/33/41/09/528334109.db2.gz MOZUTZCEWUGYKB-LBPRGKRZSA-N 0 0 330.388 1.617 10 0 EDAERN CCCNC(=O)[C@@H]1COCCN1c1cc(Br)ccc1N ZINC000159257513 528434258 /nfs/dbraw/zinc/43/42/58/528434258.db2.gz GRABHMSRSUCACP-ZDUSSCGKSA-N 0 0 342.237 1.763 10 0 EDAERN CCCNC(=O)[C@H](C)S(=O)(=O)c1cc(Br)ccc1N ZINC000167149516 528435055 /nfs/dbraw/zinc/43/50/55/528435055.db2.gz NLSZZEOFTPYUOW-QMMMGPOBSA-N 0 0 349.250 1.720 10 0 EDAERN CCNc1ncc(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)s1 ZINC000129368535 528445038 /nfs/dbraw/zinc/44/50/38/528445038.db2.gz UJZJVXCMKGJAHB-VIFPVBQESA-N 0 0 336.421 1.469 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000184231779 528477253 /nfs/dbraw/zinc/47/72/53/528477253.db2.gz PMAYPEWTZVPRSW-UONOGXRCSA-N 0 0 331.420 1.407 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H](C)Oc1cccnc1)CC2 ZINC000172067276 528480161 /nfs/dbraw/zinc/48/01/61/528480161.db2.gz DTUVWKWQJFKJRY-CHWSQXEVSA-N 0 0 329.404 1.695 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1cccnc1-n1ccnc1 ZINC000184235731 528483108 /nfs/dbraw/zinc/48/31/08/528483108.db2.gz ODWSNEJPBLKQDU-INIZCTEOSA-N 0 0 343.431 1.384 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173997891 528579227 /nfs/dbraw/zinc/57/92/27/528579227.db2.gz DDTLKXPOSDYHJW-AWEZNQCLSA-N 0 0 340.445 1.181 10 0 EDAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)cn1 ZINC000181363109 528588080 /nfs/dbraw/zinc/58/80/80/528588080.db2.gz UHLHXHGPHZOQHX-LBPRGKRZSA-N 0 0 337.405 1.194 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190135624 528678855 /nfs/dbraw/zinc/67/88/55/528678855.db2.gz SJPNZXUBYSWTNF-ZDUSSCGKSA-N 0 0 330.392 1.879 10 0 EDAERN CC(C)n1nnnc1CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000174024541 528699429 /nfs/dbraw/zinc/69/94/29/528699429.db2.gz OVYSCEYZYDEGCI-LBPRGKRZSA-N 0 0 331.351 1.511 10 0 EDAERN CCOCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165104631 528711179 /nfs/dbraw/zinc/71/11/79/528711179.db2.gz JFVNWTWDHGPTFQ-UHFFFAOYSA-N 0 0 338.788 1.235 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000175034382 528737787 /nfs/dbraw/zinc/73/77/87/528737787.db2.gz JWYKXJFCCAUTLO-CYBMUJFWSA-N 0 0 338.437 1.156 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000159284195 528739587 /nfs/dbraw/zinc/73/95/87/528739587.db2.gz SDMWXMALGYFQHQ-UHFFFAOYSA-N 0 0 343.449 1.365 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173720714 528740308 /nfs/dbraw/zinc/74/03/08/528740308.db2.gz LMAGMTZDGXXTHX-GFCCVEGCSA-N 0 0 346.474 1.914 10 0 EDAERN CC(C)NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179358375 529126382 /nfs/dbraw/zinc/12/63/82/529126382.db2.gz NREBBXXQEUSBIQ-WMLDXEAASA-N 0 0 349.406 1.328 10 0 EDAERN CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000190039167 529156011 /nfs/dbraw/zinc/15/60/11/529156011.db2.gz KBRVTSXIYKLMOE-IUODEOHRSA-N 0 0 325.430 1.912 10 0 EDAERN CCSC[C@@H](C)Nc1cnn(CCO)c(=O)c1Br ZINC000158857162 529195772 /nfs/dbraw/zinc/19/57/72/529195772.db2.gz YSBGSMKIUAAFFD-MRVPVSSYSA-N 0 0 336.255 1.552 10 0 EDAERN CC1(CNC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)COC1 ZINC000182865929 535135694 /nfs/dbraw/zinc/13/56/94/535135694.db2.gz GQAGTBFOFWZPEK-ZDUSSCGKSA-N 0 0 333.436 1.888 10 0 EDAERN CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105849999 535293332 /nfs/dbraw/zinc/29/33/32/535293332.db2.gz DELZCJHUKDKFLO-CYBMUJFWSA-N 0 0 327.450 1.525 10 0 EDAERN CCC1CCC(NC(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 ZINC000075561076 535319769 /nfs/dbraw/zinc/31/97/69/535319769.db2.gz ULDVBRQXTOESJR-UHFFFAOYSA-N 0 0 339.461 1.787 10 0 EDAERN CC(C)CCOCCNC(=O)CN1CCC(c2ccnn2C)CC1 ZINC000195504087 535385822 /nfs/dbraw/zinc/38/58/22/535385822.db2.gz BOLFKIUAGPEWGN-UHFFFAOYSA-N 0 0 336.480 1.778 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000246126439 535401630 /nfs/dbraw/zinc/40/16/30/535401630.db2.gz BSWGRPZKLNJUNX-ILXRZTDVSA-N 0 0 338.448 1.968 10 0 EDAERN CCOc1ncccc1CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083699821 535596023 /nfs/dbraw/zinc/59/60/23/535596023.db2.gz XKERHYGUJCYEFM-CYBMUJFWSA-N 0 0 330.392 1.715 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)C[C@H]1CC ZINC000246962011 535598852 /nfs/dbraw/zinc/59/88/52/535598852.db2.gz JTWFWRVQQNBDQX-GVDBMIGSSA-N 0 0 342.480 1.530 10 0 EDAERN CCO[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000195184048 535614706 /nfs/dbraw/zinc/61/47/06/535614706.db2.gz FNGANVZIVGBBLR-MRXNPFEDSA-N 0 0 331.416 1.684 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC[C@@H](O)COC ZINC000245771727 535865715 /nfs/dbraw/zinc/86/57/15/535865715.db2.gz SKAOXNODZDCQPE-NUEKZKHPSA-N 0 0 336.432 1.345 10 0 EDAERN CCn1cc(C2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000195499766 536034708 /nfs/dbraw/zinc/03/47/08/536034708.db2.gz JAIRHWKRZYHNGV-GJZGRUSLSA-N 0 0 334.464 1.718 10 0 EDAERN CCn1cc(C2CCN(CC(=O)Nc3cc(C)nn3C)CC2)cn1 ZINC000195499300 536035701 /nfs/dbraw/zinc/03/57/01/536035701.db2.gz SLHZDPZPHHRUCU-UHFFFAOYSA-N 0 0 330.436 1.763 10 0 EDAERN CCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)c(F)c2)ccc1=O ZINC000077685557 536076566 /nfs/dbraw/zinc/07/65/66/536076566.db2.gz IDKCJJMZNCAPDO-JTQLQIEISA-N 0 0 349.337 1.962 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@H](CC(C)C)NC(C)=O)CCO2)cn1 ZINC000191806328 536090197 /nfs/dbraw/zinc/09/01/97/536090197.db2.gz WBKOEKHCHATDSJ-HOTGVXAUSA-N 0 0 336.436 1.354 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1)CC2 ZINC000114978302 536164285 /nfs/dbraw/zinc/16/42/85/536164285.db2.gz SCXXCIMTBVBNSJ-RDTXWAMCSA-N 0 0 343.431 1.362 10 0 EDAERN CNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2cccs2)nc1 ZINC000190632693 536319343 /nfs/dbraw/zinc/31/93/43/536319343.db2.gz UKIYYQKNCJCTHR-SECBINFHSA-N 0 0 340.430 1.934 10 0 EDAERN COc1cc(C)c(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1C ZINC000190989764 536607453 /nfs/dbraw/zinc/60/74/53/536607453.db2.gz YUIOWNIMSOTFAP-GFCCVEGCSA-N 0 0 326.418 1.211 10 0 EDAERN COc1ccccc1CCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175626256 537037340 /nfs/dbraw/zinc/03/73/40/537037340.db2.gz BNIJEERHZKFVNL-WBVHZDCISA-N 0 0 347.459 1.600 10 0 EDAERN CCCN(CCC)S(=O)(=O)C[C@@H](N)C(F)(F)C(F)(F)F ZINC000757151032 579965168 /nfs/dbraw/zinc/96/51/68/579965168.db2.gz MXNBYZOODKWKIY-MRVPVSSYSA-N 0 0 326.331 1.963 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1ccc(=O)n(C)c1 ZINC000888078614 590934865 /nfs/dbraw/zinc/93/48/65/590934865.db2.gz BIXLZHKFYQWMDM-DYVFJYSZSA-N 0 0 344.415 1.243 10 0 EDAERN CCc1ncnc(N2CC(N3CCOC[C@@H]3c3nc(C)no3)C2)c1F ZINC000888098132 591027339 /nfs/dbraw/zinc/02/73/39/591027339.db2.gz AJPBXLODZFRROZ-CYBMUJFWSA-N 0 0 348.382 1.132 10 0 EDAERN CC(=O)N1NC(=O)C[C@@]12CCCN(Cc1ncc(Cl)s1)C2 ZINC000888103287 591031388 /nfs/dbraw/zinc/03/13/88/591031388.db2.gz BXJJNPAFXLSTKN-CYBMUJFWSA-N 0 0 328.825 1.415 10 0 EDAERN Cc1ncoc1CN1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000894750072 591406570 /nfs/dbraw/zinc/40/65/70/591406570.db2.gz RIDZLYQPSWARLN-MWLCHTKSSA-N 0 0 341.355 1.237 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1cc(=O)[nH][nH]1 ZINC000898867936 591574174 /nfs/dbraw/zinc/57/41/74/591574174.db2.gz CNMJARANHAECFL-MWLCHTKSSA-N 0 0 340.449 1.630 10 0 EDAERN COC(=O)N[C@H](C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1)C(C)C ZINC000899079778 591669931 /nfs/dbraw/zinc/66/99/31/591669931.db2.gz YCKVTTJTTXEMKA-OCCSQVGLSA-N 0 0 335.408 1.310 10 0 EDAERN COCc1cncc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1 ZINC000899082915 591671239 /nfs/dbraw/zinc/67/12/39/591671239.db2.gz LPDSFQGBMWSYKX-OAHLLOKOSA-N 0 0 327.388 1.784 10 0 EDAERN CCn1ccnc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c1=O ZINC000818144144 593674430 /nfs/dbraw/zinc/67/44/30/593674430.db2.gz AAQBCRYSCVNWJH-QGZVFWFLSA-N 0 0 345.403 1.098 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)C1 ZINC000101538883 595166420 /nfs/dbraw/zinc/16/64/20/595166420.db2.gz SWCZLQSBJJIPBE-KGLIPLIRSA-N 0 0 338.452 1.291 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000101538874 595166427 /nfs/dbraw/zinc/16/64/27/595166427.db2.gz IEQQURWECXCJJK-CXAGYDPISA-N 0 0 336.436 1.045 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1C ZINC000117277324 595605443 /nfs/dbraw/zinc/60/54/43/595605443.db2.gz RLGBEKARTVECBH-OAHLLOKOSA-N 0 0 343.431 1.450 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCC[S@](=O)C(C)(C)C)C(C)C ZINC000112299322 596103228 /nfs/dbraw/zinc/10/32/28/596103228.db2.gz IZRYVYFREFKHGT-JLCFBVMHSA-N 0 0 332.510 1.837 10 0 EDAERN Cc1nc(C(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)no1 ZINC000124191481 597014142 /nfs/dbraw/zinc/01/41/42/597014142.db2.gz NBEFZJMWWBCPBX-PWSUYJOCSA-N 0 0 336.417 1.631 10 0 EDAERN CC(C)N(C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CC1 ZINC000125742866 597079491 /nfs/dbraw/zinc/07/94/91/597079491.db2.gz YFFMGEQPYJGNAO-LLVKDONJSA-N 0 0 335.429 1.513 10 0 EDAERN C[C@H](O)c1ccn(CC(=O)NCc2ccc(N3CCCC3=O)cc2)n1 ZINC000128849055 598095696 /nfs/dbraw/zinc/09/56/96/598095696.db2.gz YWJZPTSCGFJNTN-ZDUSSCGKSA-N 0 0 342.399 1.380 10 0 EDAERN C[C@@H](O)c1ccn(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000128924504 598124051 /nfs/dbraw/zinc/12/40/51/598124051.db2.gz UXQGWHKPAWONHN-WBMJQRKESA-N 0 0 333.363 1.676 10 0 EDAERN Cc1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc(=O)[nH]1 ZINC000180281187 698727875 /nfs/dbraw/zinc/72/78/75/698727875.db2.gz XYQDQKBTDSUJSQ-KRWDZBQOSA-N 0 0 341.411 1.587 10 0 EDAERN O=C(Nc1cccc(C(F)(F)F)n1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000186680700 712147745 /nfs/dbraw/zinc/14/77/45/712147745.db2.gz XNUDSCPHTRDSMG-VHSXEESVSA-N 0 0 345.321 1.706 10 0 EDAERN CO[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(C(N)=S)cc1 ZINC000050375052 214054605 /nfs/dbraw/zinc/05/46/05/214054605.db2.gz OEUIGXXFXICVMZ-QWHCGFSZSA-N 0 0 328.459 1.308 10 0 EDAERN CNS(=O)(=O)c1ccccc1NC(=O)c1cccc(Cl)n1 ZINC000051073298 214076970 /nfs/dbraw/zinc/07/69/70/214076970.db2.gz GVBLZCUGPYACEC-UHFFFAOYSA-N 0 0 325.777 1.895 10 0 EDAERN CCNS(=O)(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000062519988 214721264 /nfs/dbraw/zinc/72/12/64/214721264.db2.gz SPNSGZQTTNOQTH-UHFFFAOYSA-N 0 0 325.434 1.508 10 0 EDAERN COCCSc1ccccc1C(=O)NCCc1nnc(N)s1 ZINC000020202194 212110845 /nfs/dbraw/zinc/11/08/45/212110845.db2.gz NJXJOMUYCPBOHI-UHFFFAOYSA-N 0 0 338.458 1.831 10 0 EDAERN Cc1cc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)[nH]1 ZINC000062576974 214723073 /nfs/dbraw/zinc/72/30/73/214723073.db2.gz LAJMFOVNYFIHDD-UHFFFAOYSA-N 0 0 335.429 1.812 10 0 EDAERN NC(=O)COc1ccccc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000053067885 214161972 /nfs/dbraw/zinc/16/19/72/214161972.db2.gz HLQJSFCUWFFTMQ-AWEZNQCLSA-N 0 0 326.352 1.804 10 0 EDAERN CN(CCNc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000053386060 214179720 /nfs/dbraw/zinc/17/97/20/214179720.db2.gz GMPWYWNIIWYMTO-CYBMUJFWSA-N 0 0 347.278 1.980 10 0 EDAERN C[C@@H](CNC(=O)c1cccc(I)c1)C(N)=S ZINC000054153968 214220317 /nfs/dbraw/zinc/22/03/17/214220317.db2.gz BUSDCUCBPWAUJP-ZETCQYMHSA-N 0 0 348.209 1.943 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1sccc1Br)C(N)=S ZINC000054154303 214220677 /nfs/dbraw/zinc/22/06/77/214220677.db2.gz KFDYDHSPXZRXAZ-YFKPBYRVSA-N 0 0 343.293 1.711 10 0 EDAERN Cc1ccc(NC(=O)c2nonc2N)cc1I ZINC000054421086 214237116 /nfs/dbraw/zinc/23/71/16/214237116.db2.gz HKYLTINDHNEBLL-UHFFFAOYSA-N 0 0 344.112 1.817 10 0 EDAERN Nc1nonc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000054430928 214238657 /nfs/dbraw/zinc/23/86/57/214238657.db2.gz WTPBONCAUFSPIT-UHFFFAOYSA-N 0 0 327.797 1.325 10 0 EDAERN CCOC(=O)CN(CCOC)c1cc(Cl)ccc1C(N)=S ZINC000062788319 214732015 /nfs/dbraw/zinc/73/20/15/214732015.db2.gz DGXPVCJCGUIAFB-UHFFFAOYSA-N 0 0 330.837 1.990 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)N(c3ccccc3)C(C)C)CCO2)[nH]1 ZINC000173673406 231002170 /nfs/dbraw/zinc/00/21/70/231002170.db2.gz VGJSJBZDYHVZHL-MRXNPFEDSA-N 0 0 343.431 1.928 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(OCCO)cc2)CCS1 ZINC000158374043 529400309 /nfs/dbraw/zinc/40/03/09/529400309.db2.gz CSABXKJPJADZKY-CYBMUJFWSA-N 0 0 331.459 1.574 10 0 EDAERN O=S(=O)(c1cccc2ncccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173996998 231094796 /nfs/dbraw/zinc/09/47/96/231094796.db2.gz NZLYOLYXUOWCIN-CQSZACIVSA-N 0 0 347.440 1.330 10 0 EDAERN O=S(=O)(Cc1ccccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000174000220 231095280 /nfs/dbraw/zinc/09/52/80/231095280.db2.gz ACTFEGFQMSVGEP-CQSZACIVSA-N 0 0 328.409 1.062 10 0 EDAERN Cc1n[nH]c(C)c1N1CCN(C(=O)CCc2c(C)noc2C)CC1 ZINC000056935188 214396762 /nfs/dbraw/zinc/39/67/62/214396762.db2.gz WHOQLQMYRJJKKA-UHFFFAOYSA-N 0 0 331.420 1.913 10 0 EDAERN Cc1ccc(C)c(S(=O)(=O)NC[C@H]2Oc3ccccc3NC2=O)c1 ZINC000049739125 214030647 /nfs/dbraw/zinc/03/06/47/214030647.db2.gz SJDIXWJFQABRCS-OAHLLOKOSA-N 0 0 346.408 1.981 10 0 EDAERN COc1ccc(C(=O)NCc2nn3c(C)nnc3s2)cc1OC ZINC000049721803 214028846 /nfs/dbraw/zinc/02/88/46/214028846.db2.gz DGHYNMCPLCRTJK-UHFFFAOYSA-N 0 0 333.373 1.441 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000175888134 231530121 /nfs/dbraw/zinc/53/01/21/231530121.db2.gz ATWVPJZBMLLBDE-STQMWFEESA-N 0 0 335.408 1.216 10 0 EDAERN C[C@@H]1CN(Cc2nnnn2-c2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC000060459875 214637566 /nfs/dbraw/zinc/63/75/66/214637566.db2.gz CXQZRBAKONWTKS-GHMZBOCLSA-N 0 0 339.346 1.873 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)N[C@H]3CCCn4ncnc43)ccc2o1 ZINC000176744694 231722243 /nfs/dbraw/zinc/72/22/43/231722243.db2.gz AMSISPRAEGEPKJ-LBPRGKRZSA-N 0 0 346.368 1.198 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1ccccc1 ZINC000133026904 529750452 /nfs/dbraw/zinc/75/04/52/529750452.db2.gz YZRPDIFPNVOZTQ-KGLIPLIRSA-N 0 0 329.404 1.708 10 0 EDAERN CC(C)N(CCO)C(=O)CN1CCN(c2ccc(F)c(F)c2)C1=O ZINC000049383020 214003460 /nfs/dbraw/zinc/00/34/60/214003460.db2.gz TXAIPMNJRVEFKZ-UHFFFAOYSA-N 0 0 341.358 1.436 10 0 EDAERN CN(CC(F)(F)F)C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165094401 529850485 /nfs/dbraw/zinc/85/04/85/529850485.db2.gz NKDDLEKMQFEHLK-UHFFFAOYSA-N 0 0 348.705 1.761 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000173565569 529944740 /nfs/dbraw/zinc/94/47/40/529944740.db2.gz NXIAXJBTKJADHK-UHFFFAOYSA-N 0 0 339.399 1.189 10 0 EDAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H](C)COCc1ccccc1 ZINC000177558130 231927616 /nfs/dbraw/zinc/92/76/16/231927616.db2.gz OVFRQAUTHFZUQF-CYBMUJFWSA-N 0 0 330.384 1.584 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1C ZINC000177651494 231949175 /nfs/dbraw/zinc/94/91/75/231949175.db2.gz WSBWWNDHBCHZKA-INIZCTEOSA-N 0 0 342.399 1.366 10 0 EDAERN CCCS(=O)(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725271360 539402789 /nfs/dbraw/zinc/40/27/89/539402789.db2.gz FVHJIGMIWUJKTI-JQWIXIFHSA-N 0 0 332.495 1.265 10 0 EDAERN C[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000091781288 295739099 /nfs/dbraw/zinc/73/90/99/295739099.db2.gz AQQMXWJHGMFZPM-BXKDBHETSA-N 0 0 341.205 1.265 10 0 EDAERN C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C(=O)N(C)C ZINC000178563417 232259085 /nfs/dbraw/zinc/25/90/85/232259085.db2.gz OQBCWOYRLOEPHZ-CMPLNLGQSA-N 0 0 331.338 1.936 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccnc(OC)c2)C1 ZINC000101780821 219164929 /nfs/dbraw/zinc/16/49/29/219164929.db2.gz JKOWRHQBYQNPAC-CQSZACIVSA-N 0 0 334.420 1.681 10 0 EDAERN Cc1ccc(C(=O)O[C@@H]2OC(=O)C(Cl)=C2N2CCOCC2)cc1 ZINC000003903560 210088445 /nfs/dbraw/zinc/08/84/45/210088445.db2.gz STEVGAKWFUYITK-MRXNPFEDSA-N 0 0 337.759 1.817 10 0 EDAERN CCc1nc(CCNC(=O)NC[C@@H](C)N2CCOCC2)cs1 ZINC000102443666 219203996 /nfs/dbraw/zinc/20/39/96/219203996.db2.gz AWZGHNCVIKHWER-GFCCVEGCSA-N 0 0 326.466 1.268 10 0 EDAERN CCCC(CCC)(C(N)=S)C(=O)NC1CCS(=O)(=O)CC1 ZINC000044839775 213650120 /nfs/dbraw/zinc/65/01/20/213650120.db2.gz KXWFITOTYMOXJI-UHFFFAOYSA-N 0 0 334.507 1.553 10 0 EDAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246270114 539611016 /nfs/dbraw/zinc/61/10/16/539611016.db2.gz RXXYKMKLJFYXMU-SJORKVTESA-N 0 0 348.491 1.657 10 0 EDAERN NC(=O)C1(Nc2ccccc2Br)CCS(=O)(=O)CC1 ZINC000042332722 213495188 /nfs/dbraw/zinc/49/51/88/213495188.db2.gz LHQMPZVTFJWHIP-UHFFFAOYSA-N 0 0 347.234 1.294 10 0 EDAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC(C)(C)C1 ZINC000248531609 539688078 /nfs/dbraw/zinc/68/80/78/539688078.db2.gz FHNOQAAAJHSVRT-HZSPNIEDSA-N 0 0 330.494 1.989 10 0 EDAERN COC[C@@H](C)NC(=O)CNc1ccccc1I ZINC000042221909 213487146 /nfs/dbraw/zinc/48/71/46/213487146.db2.gz FLEVXTWQUXCSLQ-SECBINFHSA-N 0 0 348.184 1.854 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000103356887 219293417 /nfs/dbraw/zinc/29/34/17/219293417.db2.gz RMGMXABRONZQPJ-VIFPVBQESA-N 0 0 334.825 1.811 10 0 EDAERN CN(CC(=O)Nc1ccc(C(N)=O)cc1)c1ncnc2ccccc21 ZINC000041506482 213450841 /nfs/dbraw/zinc/45/08/41/213450841.db2.gz HAUFVFNCNGCAET-UHFFFAOYSA-N 0 0 335.367 1.804 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CCN(C(C)=O)CC3)nn2C)cc1 ZINC000041211419 213431038 /nfs/dbraw/zinc/43/10/38/213431038.db2.gz FONVKJUYLVSIKY-UHFFFAOYSA-N 0 0 342.399 1.400 10 0 EDAERN CCOC(=O)[C@](C)(C[C@H](C)SCCS(C)(=O)=O)NC1CC1 ZINC000068643589 215324999 /nfs/dbraw/zinc/32/49/99/215324999.db2.gz WEAOXHMLFHMEEJ-FZMZJTMJSA-N 0 0 337.507 1.617 10 0 EDAERN C[C@H]1C(=O)NCCN1C(=O)c1cc(Br)cn1C1CC1 ZINC000104349554 219377394 /nfs/dbraw/zinc/37/73/94/219377394.db2.gz LHWJZYXBMJUQGA-QMMMGPOBSA-N 0 0 326.194 1.546 10 0 EDAERN C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000069126540 215362285 /nfs/dbraw/zinc/36/22/85/215362285.db2.gz XPDVRGLJUCUCAJ-JTQLQIEISA-N 0 0 334.335 1.608 10 0 EDAERN Nc1cccc(Cl)c1-c1nnnn1[C@H]1CCCS(=O)(=O)C1 ZINC000069146057 215364804 /nfs/dbraw/zinc/36/48/04/215364804.db2.gz ICCUZLSIGDOJLS-QMMMGPOBSA-N 0 0 327.797 1.325 10 0 EDAERN CCN[C@@](Cn1cc(Br)cn1)(C(=O)OCC)C1CC1 ZINC000069192733 215369099 /nfs/dbraw/zinc/36/90/99/215369099.db2.gz LLTFCGUMKAJVBW-CYBMUJFWSA-N 0 0 330.226 1.967 10 0 EDAERN O=C(N1CCO[C@@H]2CS(=O)(=O)C[C@H]21)C12CC3CC(CC(C3)C1)C2 ZINC000040625102 213361075 /nfs/dbraw/zinc/36/10/75/213361075.db2.gz LCWFKXYAPHJSMH-QUDLODQRSA-N 0 0 339.457 1.227 10 0 EDAERN CS(=O)(=O)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 ZINC000040562712 213351006 /nfs/dbraw/zinc/35/10/06/213351006.db2.gz FWEMEASBNKMGFA-UHFFFAOYSA-N 0 0 328.703 1.451 10 0 EDAERN CCn1cc(S(=O)(=O)N[C@H](C)c2sc(C)nc2C)c(N)n1 ZINC000040517925 213331632 /nfs/dbraw/zinc/33/16/32/213331632.db2.gz SRXBSYUMMZQCQK-MRVPVSSYSA-N 0 0 329.451 1.598 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181622732 234255520 /nfs/dbraw/zinc/25/55/20/234255520.db2.gz RRWAFOCBSCRGGU-LBPRGKRZSA-N 0 0 344.419 1.545 10 0 EDAERN CCC(CC)C(=O)Nc1cc(C(=O)N2CCOCC2)cn(C)c1=O ZINC000038492807 213211360 /nfs/dbraw/zinc/21/13/60/213211360.db2.gz KVIOTGODYSDOQS-UHFFFAOYSA-N 0 0 335.404 1.232 10 0 EDAERN CC(C)(C)NC(=O)CSc1nc(=O)n(CCCO)c2c1CCC2 ZINC000038479718 213210287 /nfs/dbraw/zinc/21/02/87/213210287.db2.gz YDEUBJKPQJMUGJ-UHFFFAOYSA-N 0 0 339.461 1.121 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1F ZINC000180635906 540121856 /nfs/dbraw/zinc/12/18/56/540121856.db2.gz IQNOBCUCOHZTGE-CYBMUJFWSA-N 0 0 335.379 1.006 10 0 EDAERN Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000183665509 235188163 /nfs/dbraw/zinc/18/81/63/235188163.db2.gz PQOCHWSUZBGKPO-HNNXBMFYSA-N 0 0 329.404 1.633 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)CC2 ZINC000181730295 540128168 /nfs/dbraw/zinc/12/81/68/540128168.db2.gz DIVLBGZMZRJGOP-QWHCGFSZSA-N 0 0 342.465 1.205 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cnn(C(C)C)c3)CC2)no1 ZINC000191524431 540174831 /nfs/dbraw/zinc/17/48/31/540174831.db2.gz IAQAIJYGVBXPNR-UHFFFAOYSA-N 0 0 332.408 1.504 10 0 EDAERN C[C@@](O)(CNC(=O)N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000184211293 235333727 /nfs/dbraw/zinc/33/37/27/235333727.db2.gz OEQPYGKYGODJGI-XJKSGUPXSA-N 0 0 349.822 1.973 10 0 EDAERN O=C(c1ccc(F)cn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000184267943 235351398 /nfs/dbraw/zinc/35/13/98/235351398.db2.gz VTICTWWDWJOOTC-KRWDZBQOSA-N 0 0 329.375 1.712 10 0 EDAERN O=C(CN1CCO[C@H]2CCCC[C@@H]21)NCCN1CCc2ccccc21 ZINC000051997480 138137158 /nfs/dbraw/zinc/13/71/58/138137158.db2.gz HFTQUBYNRKFGCI-OALUTQOASA-N 0 0 343.471 1.809 10 0 EDAERN Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3CCCC[C@@H]3O)n2)cc1 ZINC000077160685 138251538 /nfs/dbraw/zinc/25/15/38/138251538.db2.gz BNLAMSNPKHHECY-GJZGRUSLSA-N 0 0 329.404 1.316 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC[S@](=O)C(C)(C)C ZINC000087106827 138271520 /nfs/dbraw/zinc/27/15/20/138271520.db2.gz HWWQCOSOBQELPF-QVQLBTGDSA-N 0 0 341.481 1.522 10 0 EDAERN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N[C@@H]1CCCC[C@@H]1O ZINC000089237675 138273689 /nfs/dbraw/zinc/27/36/89/138273689.db2.gz KGXBPFXOQRUHMO-ZACQAIPSSA-N 0 0 345.443 1.780 10 0 EDAERN O=C(CCOC[C@H]1CCCO1)N1CCCN(c2cccnn2)CC1 ZINC000105811035 138301939 /nfs/dbraw/zinc/30/19/39/138301939.db2.gz QFKSXWSRJLKXQI-OAHLLOKOSA-N 0 0 334.420 1.101 10 0 EDAERN O=C(CNC(=O)c1cccc(Br)c1)NCc1cn[nH]c1 ZINC000037983285 213182334 /nfs/dbraw/zinc/18/23/34/213182334.db2.gz AUQONWWHRLAFJL-UHFFFAOYSA-N 0 0 337.177 1.218 10 0 EDAERN NC(=O)c1cccc(CNC(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000111819964 138308829 /nfs/dbraw/zinc/30/88/29/138308829.db2.gz UZULLKOBFNJAEN-ZDUSSCGKSA-N 0 0 346.412 1.525 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(C)c(C)c1)CC2 ZINC000114867710 138310683 /nfs/dbraw/zinc/31/06/83/138310683.db2.gz WKAVXKRFJHLJOY-AWEZNQCLSA-N 0 0 328.416 1.967 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CSC[C@H]1CCCCO1)CC2 ZINC000114871522 138310769 /nfs/dbraw/zinc/31/07/69/138310769.db2.gz RHLLHXQASWJWJW-CHWSQXEVSA-N 0 0 338.477 1.574 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)CC2 ZINC000123939539 138322397 /nfs/dbraw/zinc/32/23/97/138322397.db2.gz APURHIBCCBGOQZ-LLVKDONJSA-N 0 0 349.435 1.329 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CS(=O)(=O)C(C)(C)C)C2)no1 ZINC000125014630 138331449 /nfs/dbraw/zinc/33/14/49/138331449.db2.gz KOKZOXLXFYHMEN-GFCCVEGCSA-N 0 0 343.449 1.372 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1nc(-c2nccn2C)cs1)[C@@H]1CCCO1 ZINC000125501604 138334545 /nfs/dbraw/zinc/33/45/45/138334545.db2.gz WPXNVBQBGAZZKN-ONGXEEELSA-N 0 0 349.416 1.166 10 0 EDAERN Cn1cc(Br)cc1C(=O)N(CCO)CC(F)(F)F ZINC000037846469 213170569 /nfs/dbraw/zinc/17/05/69/213170569.db2.gz XBIDLFHQAURHTC-UHFFFAOYSA-N 0 0 329.116 1.784 10 0 EDAERN C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1nnc2n1CCCC2 ZINC000131479208 138360161 /nfs/dbraw/zinc/36/01/61/138360161.db2.gz DQHFNWXZASJIRM-LBPRGKRZSA-N 0 0 337.387 1.686 10 0 EDAERN CCOC(=O)CS(=O)(=O)Cc1ccc(N)cc1Br ZINC000037515924 213152973 /nfs/dbraw/zinc/15/29/73/213152973.db2.gz CGMQGPZGVSSYMY-UHFFFAOYSA-N 0 0 336.207 1.509 10 0 EDAERN CCN1CCN(Cc2c(N)cccc2Br)C(=O)C1=O ZINC000037401984 213144625 /nfs/dbraw/zinc/14/46/25/213144625.db2.gz ZPAVYNAYEKTFGV-UHFFFAOYSA-N 0 0 326.194 1.222 10 0 EDAERN NC(=O)[C@@H]1CCCN1C(=O)c1cc(Br)cn1C1CC1 ZINC000036860176 213124727 /nfs/dbraw/zinc/12/47/27/213124727.db2.gz SCSFCLTZGYEIAJ-JTQLQIEISA-N 0 0 326.194 1.675 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C(=O)[O-] ZINC000036838983 213122887 /nfs/dbraw/zinc/12/28/87/213122887.db2.gz PABGFMKGVNFMKM-SECBINFHSA-N 0 0 330.182 1.626 10 0 EDAERN O=S(=O)(c1ccccc1Br)N1CCCC[C@@H]1CO ZINC000036796824 213118590 /nfs/dbraw/zinc/11/85/90/213118590.db2.gz WNMXHQKGPCSALE-SNVBAGLBSA-N 0 0 334.235 1.985 10 0 EDAERN CC[C@H](CC1CC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000070108459 215675028 /nfs/dbraw/zinc/67/50/28/215675028.db2.gz KVKVEBZUXDAKNA-LLVKDONJSA-N 0 0 332.447 1.191 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1)C1CC1 ZINC000187180487 236138916 /nfs/dbraw/zinc/13/89/16/236138916.db2.gz NTDBASNGEQFPRP-KRWDZBQOSA-N 0 0 327.428 1.928 10 0 EDAERN O=C(Cc1ccccc1)N[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000036109760 213070218 /nfs/dbraw/zinc/07/02/18/213070218.db2.gz MZVSUJJHWQUYAG-IBGZPJMESA-N 0 0 338.407 1.945 10 0 EDAERN O=C(NC1CN(C[C@H](O)COCc2ccccc2Cl)C1)C1CC1 ZINC000187980505 236368952 /nfs/dbraw/zinc/36/89/52/236368952.db2.gz YEGQOELLOWTALL-HNNXBMFYSA-N 0 0 338.835 1.428 10 0 EDAERN NC(=S)c1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)ccc1F ZINC000071248074 215746331 /nfs/dbraw/zinc/74/63/31/215746331.db2.gz HIQCZDXAJMGBJW-NWDGAFQWSA-N 0 0 332.422 1.042 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CC1(O)CCCC1)CC2 ZINC000127701896 138617242 /nfs/dbraw/zinc/61/72/42/138617242.db2.gz XCQWYIWYOYSEBI-ZDUSSCGKSA-N 0 0 335.452 1.663 10 0 EDAERN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnccc1Cl ZINC000071203642 215743308 /nfs/dbraw/zinc/74/33/08/215743308.db2.gz SPJZWBVNZDOKDX-NSHDSACASA-N 0 0 332.809 1.841 10 0 EDAERN NC(=S)c1cc(S(=O)(=O)NC[C@@H]2CCCOC2)ccc1F ZINC000071247757 215745872 /nfs/dbraw/zinc/74/58/72/215745872.db2.gz AHGCLOGQSJULOS-VIFPVBQESA-N 0 0 332.422 1.165 10 0 EDAERN Cc1noc(C)c1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000157743978 138629953 /nfs/dbraw/zinc/62/99/53/138629953.db2.gz SEYFAKPPMDMRHY-GFCCVEGCSA-N 0 0 332.408 1.821 10 0 EDAERN COc1cccc(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000158211122 138631783 /nfs/dbraw/zinc/63/17/83/138631783.db2.gz RPHBZAQBHZCHPL-ZDUSSCGKSA-N 0 0 344.419 1.619 10 0 EDAERN COC(=O)c1sccc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000035163774 213011884 /nfs/dbraw/zinc/01/18/84/213011884.db2.gz PRBZMNGUQGSVGW-MRVPVSSYSA-N 0 0 349.455 1.394 10 0 EDAERN CCOc1ncnc2sc(C(=O)NCC(OC)OC)c(C)c21 ZINC000071566150 215787322 /nfs/dbraw/zinc/78/73/22/215787322.db2.gz MLOXFJJCBRRCRT-UHFFFAOYSA-N 0 0 325.390 1.747 10 0 EDAERN CCc1ccccc1N1C[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)CC1=O ZINC000178729807 138745123 /nfs/dbraw/zinc/74/51/23/138745123.db2.gz OYFGTOWRGGKTCU-WMLDXEAASA-N 0 0 345.443 1.489 10 0 EDAERN Cc1c(NC(=O)c2ccc(=O)[nH]n2)c(=O)n(-c2ccccc2)n1C ZINC000028646468 212629904 /nfs/dbraw/zinc/62/99/04/212629904.db2.gz UURAAOPGXNMWLK-UHFFFAOYSA-N 0 0 325.328 1.232 10 0 EDAERN CCN(CCO)S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000037897471 213172630 /nfs/dbraw/zinc/17/26/30/213172630.db2.gz PNGKQSRDAXZVTL-UHFFFAOYSA-N 0 0 344.177 1.730 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cccc(-c3nc(C)cs3)c2)C1 ZINC000185242033 138803223 /nfs/dbraw/zinc/80/32/23/138803223.db2.gz KSLOOIUSKGNUPX-UHFFFAOYSA-N 0 0 345.424 1.706 10 0 EDAERN CCCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000028002096 212593795 /nfs/dbraw/zinc/59/37/95/212593795.db2.gz ZEOOHOYBACLRFT-BBRMVZONSA-N 0 0 333.432 1.474 10 0 EDAERN CCc1c(C)nc2n(c1=O)CN(CCO)CN2c1ccc(OC)cc1 ZINC000072442285 216235497 /nfs/dbraw/zinc/23/54/97/216235497.db2.gz IMVCRAJCVFEKPM-UHFFFAOYSA-N 0 0 344.415 1.484 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCCn2cc(C)cn2)C12CCOCC2 ZINC000185735551 138808105 /nfs/dbraw/zinc/80/81/05/138808105.db2.gz JWCLPLCXWNZEEX-CABCVRRESA-N 0 0 336.436 1.465 10 0 EDAERN COC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(O)cc3)ccc12 ZINC000072465952 216247966 /nfs/dbraw/zinc/24/79/66/216247966.db2.gz QENVPTYQZTUPAV-UHFFFAOYSA-N 0 0 336.307 1.526 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000130209375 223133071 /nfs/dbraw/zinc/13/30/71/223133071.db2.gz IWWGNCUSQZOCMD-QAPCUYQASA-N 0 0 341.415 1.555 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2cnn(C)c2)C12CCOCC2 ZINC000185959536 138811335 /nfs/dbraw/zinc/81/13/35/138811335.db2.gz CVQRPMLXFVKUFD-HUUCEWRRSA-N 0 0 336.436 1.536 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000072493639 216262816 /nfs/dbraw/zinc/26/28/16/216262816.db2.gz HCBQRIWCRLNNTQ-SNVBAGLBSA-N 0 0 326.316 1.012 10 0 EDAERN CSCCCCCNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000186170199 138813528 /nfs/dbraw/zinc/81/35/28/138813528.db2.gz VXCPVNIKAISFPS-LBPRGKRZSA-N 0 0 327.454 1.729 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000130776079 223175989 /nfs/dbraw/zinc/17/59/89/223175989.db2.gz JFYODEAGLGJZPL-UHFFFAOYSA-N 0 0 345.403 1.624 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cnc1Cl ZINC000130878314 223184157 /nfs/dbraw/zinc/18/41/57/223184157.db2.gz ASNODUQRVFQRGZ-ZDUSSCGKSA-N 0 0 336.823 1.679 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)c(C)c1 ZINC000072538525 216270411 /nfs/dbraw/zinc/27/04/11/216270411.db2.gz CAWOAXMYXOAYMZ-MRXNPFEDSA-N 0 0 338.473 1.789 10 0 EDAERN COc1ccccc1CC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000072678887 216291660 /nfs/dbraw/zinc/29/16/60/216291660.db2.gz FDOOVSBNWPNISG-UHFFFAOYSA-N 0 0 325.324 1.819 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)Nc1ccsc1)CC2 ZINC000188303361 138837367 /nfs/dbraw/zinc/83/73/67/138837367.db2.gz JPRRZKQWDFBCIB-JTQLQIEISA-N 0 0 333.417 1.533 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000132290926 223316920 /nfs/dbraw/zinc/31/69/20/223316920.db2.gz AFVCFPKCPMDWEA-GFCCVEGCSA-N 0 0 336.417 1.472 10 0 EDAERN COc1cccc(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188789889 138851943 /nfs/dbraw/zinc/85/19/43/138851943.db2.gz UUFWWUSIHLJYDN-UHFFFAOYSA-N 0 0 331.416 1.548 10 0 EDAERN COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109100482 219948165 /nfs/dbraw/zinc/94/81/65/219948165.db2.gz GXZRJPDIOSPLKY-CHWSQXEVSA-N 0 0 340.370 1.632 10 0 EDAERN CN(C)Cc1cn(C2CCN(Cc3nn(C)cc3Cl)CC2)nn1 ZINC000023159475 212356719 /nfs/dbraw/zinc/35/67/19/212356719.db2.gz SIHBPDPPRKKWDM-UHFFFAOYSA-N 0 0 337.859 1.564 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)NCCN1CCc2ccccc21 ZINC000079927870 291324904 /nfs/dbraw/zinc/32/49/04/291324904.db2.gz FIGSHVRADFPTOS-KRWDZBQOSA-N 0 0 345.443 1.193 10 0 EDAERN Cc1ccc(Cn2cccc(NC(=O)[C@H]3CNC(=O)C3)c2=O)cc1 ZINC000132509714 223338041 /nfs/dbraw/zinc/33/80/41/223338041.db2.gz FXCBOSGLUDVTEE-CQSZACIVSA-N 0 0 325.368 1.280 10 0 EDAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000330189331 296084387 /nfs/dbraw/zinc/08/43/87/296084387.db2.gz LQUQFTUFTBJLPC-PQEBFOHHSA-N 0 0 334.391 1.350 10 0 EDAERN CN(CC(=O)NCc1ccccc1-n1cncn1)Cc1cccnc1 ZINC000219338552 241382990 /nfs/dbraw/zinc/38/29/90/241382990.db2.gz LPRQHJNCNNXTPF-UHFFFAOYSA-N 0 0 336.399 1.411 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCCCSC)CC2)cn1 ZINC000132713376 223356680 /nfs/dbraw/zinc/35/66/80/223356680.db2.gz BITNQJYKRKSQRC-UHFFFAOYSA-N 0 0 339.509 1.873 10 0 EDAERN Nc1cc(Cl)ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000021009096 212199683 /nfs/dbraw/zinc/19/96/83/212199683.db2.gz PFXRAYDFYSLJAS-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)N[C@H]1CCSC1=O ZINC000020613327 212155317 /nfs/dbraw/zinc/15/53/17/212155317.db2.gz LTNYDLSWHCXVQX-NSHDSACASA-N 0 0 347.845 1.403 10 0 EDAERN CN1CCN(C(=O)COc2ccc(Br)cc2C=O)CC1 ZINC000020302743 212118209 /nfs/dbraw/zinc/11/82/09/212118209.db2.gz ZQEJHDNTBMBFJI-UHFFFAOYSA-N 0 0 341.205 1.414 10 0 EDAERN COc1ccc(CCNC(=S)N2CCC[C@@H](CO)C2)c(OC)c1 ZINC000020247356 212114990 /nfs/dbraw/zinc/11/49/90/212114990.db2.gz GLVCBBWAEWPEBJ-CYBMUJFWSA-N 0 0 338.473 1.825 10 0 EDAERN O=S(=O)(CCc1ccc2c(c1)CCO2)N[C@@H]1CCCn2ncnc21 ZINC000192024973 138933151 /nfs/dbraw/zinc/93/31/51/138933151.db2.gz NQKCECGFAUFPBP-CQSZACIVSA-N 0 0 348.428 1.210 10 0 EDAERN CCCOC(=O)[C@H](CC)n1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000019990881 212092487 /nfs/dbraw/zinc/09/24/87/212092487.db2.gz CROHJKWBYCJGCA-VIFPVBQESA-N 0 0 337.401 1.770 10 0 EDAERN O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194878496 139001815 /nfs/dbraw/zinc/00/18/15/139001815.db2.gz MCJKNZPKJMSQHY-CYBMUJFWSA-N 0 0 349.818 1.151 10 0 EDAERN CCc1[nH]c(C(=O)N2CCN3CCCC[C@H]3C2)c(C)c1C(=O)OC ZINC000195079344 139006517 /nfs/dbraw/zinc/00/65/17/139006517.db2.gz YHFULGGFDODFLO-ZDUSSCGKSA-N 0 0 333.432 1.982 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1nncs1 ZINC000195511811 139018716 /nfs/dbraw/zinc/01/87/16/139018716.db2.gz WLOGJGNFKBEMLZ-LLVKDONJSA-N 0 0 347.448 1.632 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)Cc1ccccc1C ZINC000195519887 139019659 /nfs/dbraw/zinc/01/96/59/139019659.db2.gz YMIILFODZSIRRY-UHFFFAOYSA-N 0 0 349.456 1.785 10 0 EDAERN Cc1nc(C[C@@H]2CCCN([C@H](C(N)=O)c3ccc(F)cc3)C2)no1 ZINC000195518076 139019320 /nfs/dbraw/zinc/01/93/20/139019320.db2.gz UVBCNFSRYAKBPA-LRDDRELGSA-N 0 0 332.379 1.998 10 0 EDAERN CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000236872573 139033952 /nfs/dbraw/zinc/03/39/52/139033952.db2.gz LJRDPCAEDSUOEG-SNVBAGLBSA-N 0 0 334.463 1.384 10 0 EDAERN CN(CC(=O)N1CCCc2c(N)cccc21)c1ncnc2nc[nH]c21 ZINC000237044414 139038997 /nfs/dbraw/zinc/03/89/97/139038997.db2.gz FXKVENSEOFDHDB-UHFFFAOYSA-N 0 0 337.387 1.351 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H](NC(=O)OC)C(C)C)C1 ZINC000110751473 220063686 /nfs/dbraw/zinc/06/36/86/220063686.db2.gz LQHFEYFOOGUUQS-CHWSQXEVSA-N 0 0 337.424 1.385 10 0 EDAERN CC(C)(C)CC(=O)NCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110878179 220073972 /nfs/dbraw/zinc/07/39/72/220073972.db2.gz WDFXGMSZAOZFHE-LLVKDONJSA-N 0 0 325.434 1.595 10 0 EDAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCc3c(N)cccc32)C1=O ZINC000237391947 139049836 /nfs/dbraw/zinc/04/98/36/139049836.db2.gz KFNMROBAQCTUOL-SFHVURJKSA-N 0 0 342.399 1.269 10 0 EDAERN CCCc1noc(CCCC(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000111075768 220096113 /nfs/dbraw/zinc/09/61/13/220096113.db2.gz HFUAXOPSWGUGLI-CQSZACIVSA-N 0 0 347.419 1.469 10 0 EDAERN CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000079981746 217268984 /nfs/dbraw/zinc/26/89/84/217268984.db2.gz TVPAKBBNVGKBBQ-OAHLLOKOSA-N 0 0 335.448 1.947 10 0 EDAERN CC(C)n1ccnc1CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000111233280 220120305 /nfs/dbraw/zinc/12/03/05/220120305.db2.gz UJJHDLAOHAUQLY-HUUCEWRRSA-N 0 0 341.477 1.632 10 0 EDAERN COc1ccccc1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111426080 220154090 /nfs/dbraw/zinc/15/40/90/220154090.db2.gz WYHFEIBGTOCVJZ-HNNXBMFYSA-N 0 0 330.388 1.502 10 0 EDAERN COCc1ccccc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111723822 220185187 /nfs/dbraw/zinc/18/51/87/220185187.db2.gz GMZMBYMMNWXFLI-HNNXBMFYSA-N 0 0 330.388 1.962 10 0 EDAERN COc1ccc(CCNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111791294 220189689 /nfs/dbraw/zinc/18/96/89/220189689.db2.gz HNMMSUMBEQAAGY-KRWDZBQOSA-N 0 0 344.415 1.545 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCCc3cnn(C)c3)C2)c1 ZINC000111851960 220206800 /nfs/dbraw/zinc/20/68/00/220206800.db2.gz FIFBWZJOOBREFV-INIZCTEOSA-N 0 0 330.436 1.904 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cc(C)nn3C)CC2)n1 ZINC000112036121 220232674 /nfs/dbraw/zinc/23/26/74/220232674.db2.gz OFYCOFXKEDKUQA-GFCCVEGCSA-N 0 0 332.408 1.193 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000112049161 220234115 /nfs/dbraw/zinc/23/41/15/220234115.db2.gz JKZBZDXMCFNWNY-NEPJUHHUSA-N 0 0 329.356 1.541 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(C)cc3C)CCO2)c1 ZINC000112094567 220243469 /nfs/dbraw/zinc/24/34/69/220243469.db2.gz PYGLQRVLERRTFE-INIZCTEOSA-N 0 0 349.456 1.898 10 0 EDAERN COC(=O)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245682431 139082994 /nfs/dbraw/zinc/08/29/94/139082994.db2.gz VPIKJTAWPUVZIU-DGFSRKRXSA-N 0 0 336.363 1.270 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCC2)O1)NC[C@H]1CCCC[C@H]1O ZINC000245891839 139088775 /nfs/dbraw/zinc/08/87/75/139088775.db2.gz MILZBCBGTQZXEX-RBSFLKMASA-N 0 0 326.437 1.913 10 0 EDAERN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000246199504 139098887 /nfs/dbraw/zinc/09/88/87/139098887.db2.gz LEDJMDMYMXWQOA-IOASZLSFSA-N 0 0 348.422 1.888 10 0 EDAERN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)N[C@H]1CCCC[C@H]1CO ZINC000246268152 139101808 /nfs/dbraw/zinc/10/18/08/139101808.db2.gz VNNDVVRLDIMMGF-AEGPPILISA-N 0 0 349.406 1.781 10 0 EDAERN C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246286244 139102576 /nfs/dbraw/zinc/10/25/76/139102576.db2.gz ASGVJRYZPGCITR-IIDMSEBBSA-N 0 0 349.450 1.483 10 0 EDAERN CC(C)(C)[S@](=O)CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246824212 139123318 /nfs/dbraw/zinc/12/33/18/139123318.db2.gz ACICISREMULTBL-JWCWZOIMSA-N 0 0 330.494 1.870 10 0 EDAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H](C)NC(=O)c3ccco3)[C@@H]2C1 ZINC000246884275 139125561 /nfs/dbraw/zinc/12/55/61/139125561.db2.gz REKPJCGDHQNLTN-SYQHCUMBSA-N 0 0 336.388 1.193 10 0 EDAERN Cc1n[nH]cc1C(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000247051422 139133330 /nfs/dbraw/zinc/13/33/30/139133330.db2.gz TYYRNTATYLJBES-FZMZJTMJSA-N 0 0 334.445 1.971 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cc1Cl ZINC000091785573 295120116 /nfs/dbraw/zinc/12/01/16/295120116.db2.gz ZDTRLJBZASLCBF-JTQLQIEISA-N 0 0 347.596 1.429 10 0 EDAERN COc1ccccc1[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccn1 ZINC000089848168 217860206 /nfs/dbraw/zinc/86/02/06/217860206.db2.gz OMDRWVHARWHXMJ-YVEFUNNKSA-N 0 0 325.368 1.432 10 0 EDAERN O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)C1CC1 ZINC000012313297 211341436 /nfs/dbraw/zinc/34/14/36/211341436.db2.gz JEYQEGRXKQITGC-UHFFFAOYSA-N 0 0 329.747 1.716 10 0 EDAERN CN(C[C@H]1COCCO1)c1nc2nonc2nc1N1CCCCCC1 ZINC000012298501 211337673 /nfs/dbraw/zinc/33/76/73/211337673.db2.gz FCABLEZYRQXLGG-LBPRGKRZSA-N 0 0 348.407 1.245 10 0 EDAERN C[C@@H]1CN([C@H](CNS(=O)(=O)C2CC2)c2cccs2)CCO1 ZINC000248341396 139160435 /nfs/dbraw/zinc/16/04/35/139160435.db2.gz JAROZMYJAJGBNY-DGCLKSJQSA-N 0 0 330.475 1.592 10 0 EDAERN Cc1cc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)no1 ZINC000012022274 211279670 /nfs/dbraw/zinc/27/96/70/211279670.db2.gz PGJNKHSIPNZBBY-SECBINFHSA-N 0 0 349.368 1.548 10 0 EDAERN Cc1cc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)no1 ZINC000012020910 211279335 /nfs/dbraw/zinc/27/93/35/211279335.db2.gz DZNBRVWLVFPFJF-UHFFFAOYSA-N 0 0 335.341 1.302 10 0 EDAERN CC(C)(C)NC(=O)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 ZINC000012003453 211279504 /nfs/dbraw/zinc/27/95/04/211279504.db2.gz PINITUJKRXKOAJ-UHFFFAOYSA-N 0 0 344.820 1.935 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)c1nccs1 ZINC000248595990 139168366 /nfs/dbraw/zinc/16/83/66/139168366.db2.gz MLHREDFTPOVWLK-NWDGAFQWSA-N 0 0 345.490 1.567 10 0 EDAERN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784797 218065860 /nfs/dbraw/zinc/06/58/60/218065860.db2.gz ONPWENVYCIPPLM-MWLCHTKSSA-N 0 0 328.821 1.533 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000091782555 218066193 /nfs/dbraw/zinc/06/61/93/218066193.db2.gz SWLJEKTZQSBZEG-SNVBAGLBSA-N 0 0 333.171 1.085 10 0 EDAERN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 ZINC000011099426 211203914 /nfs/dbraw/zinc/20/39/14/211203914.db2.gz QYGABIVAGIHKDB-GFCCVEGCSA-N 0 0 342.355 1.933 10 0 EDAERN C[C@H]1CCCN1S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248713338 139172735 /nfs/dbraw/zinc/17/27/35/139172735.db2.gz NELSTPFJCFQHJX-KBPBESRZSA-N 0 0 339.465 1.106 10 0 EDAERN CCCCN(C)S(=O)(=O)N1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000248786089 139175395 /nfs/dbraw/zinc/17/53/95/139175395.db2.gz YLAPJUPQQQVKDI-RDBSUJKOSA-N 0 0 332.466 1.769 10 0 EDAERN NC(=O)[C@@H]1COCCN1CCOc1cccc(Br)c1 ZINC000092230583 218127632 /nfs/dbraw/zinc/12/76/32/218127632.db2.gz GHIRXYGGVYCLJZ-LBPRGKRZSA-N 0 0 329.194 1.014 10 0 EDAERN COc1ccc(-c2nc(CN3CCOC[C@@H]3C(N)=O)cs2)cc1 ZINC000092229085 218127872 /nfs/dbraw/zinc/12/78/72/218127872.db2.gz IVAOCVSWVBGADH-CQSZACIVSA-N 0 0 333.413 1.505 10 0 EDAERN NC(=O)[C@H]1COCCN1Cc1ccc(OCc2ccccn2)cc1 ZINC000092230103 218128124 /nfs/dbraw/zinc/12/81/24/218128124.db2.gz XMDGQJRMDYJNHJ-QGZVFWFLSA-N 0 0 327.384 1.347 10 0 EDAERN COc1ccc(Br)cc1C(=O)NC(=S)NC[C@H](C)O ZINC000009270945 211062036 /nfs/dbraw/zinc/06/20/36/211062036.db2.gz CNVPWYFUZUTAMO-ZETCQYMHSA-N 0 0 347.234 1.443 10 0 EDAERN O=C1C=CC(=O)N1CCc1ccc(I)cc1 ZINC000034250686 296314099 /nfs/dbraw/zinc/31/40/99/296314099.db2.gz BBHWVOAAMFIUKX-UHFFFAOYSA-N 0 0 327.121 1.759 10 0 EDAERN COc1ccc(CN2C(=O)C(=O)N(C)C2=O)cc1Br ZINC000007177110 210765605 /nfs/dbraw/zinc/76/56/05/210765605.db2.gz ZTGOIZSVLDBOTP-UHFFFAOYSA-N 0 0 327.134 1.378 10 0 EDAERN CCS(=O)(=O)N1CC[C@H]2C(=O)N(c3ccsc3)CCO[C@H]2C1 ZINC000096110841 218607034 /nfs/dbraw/zinc/60/70/34/218607034.db2.gz IUWSRRKNLZXDLS-OLZOCXBDSA-N 0 0 344.458 1.152 10 0 EDAERN CCOC(=O)C1C(COC)=Nc2ncnn2[C@@H]1c1cccc(OC)c1 ZINC000006349592 210623118 /nfs/dbraw/zinc/62/31/18/210623118.db2.gz KTNWDPUIJBSWHU-OAHLLOKOSA-N 0 0 344.371 1.765 10 0 EDAERN C[C@@H](O)C(=O)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000152759848 224008570 /nfs/dbraw/zinc/00/85/70/224008570.db2.gz ASOPNMCDEJUTAF-LLVKDONJSA-N 0 0 340.807 1.232 10 0 EDAERN O=C([C@@H]1CC(F)(F)CN1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000263179988 139326842 /nfs/dbraw/zinc/32/68/42/139326842.db2.gz GRBLOTPLFFOCCE-STQMWFEESA-N 0 0 332.297 1.862 10 0 EDAERN O=C([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000185011252 304249872 /nfs/dbraw/zinc/24/98/72/304249872.db2.gz SPSBOJZVKGFAOD-SNVBAGLBSA-N 0 0 344.820 1.507 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1F)c1nnc2n1CCCC2 ZINC000165553889 533034788 /nfs/dbraw/zinc/03/47/88/533034788.db2.gz MYEPUFVXGNDYOR-SECBINFHSA-N 0 0 349.341 1.709 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCC(F)F)C(C)C)c1 ZINC000174567129 533066993 /nfs/dbraw/zinc/06/69/93/533066993.db2.gz UMRXEPAAWBIRSF-AWEZNQCLSA-N 0 0 344.358 1.840 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000112296008 220289609 /nfs/dbraw/zinc/28/96/09/220289609.db2.gz XZLPLQJLGLFQPK-CQSZACIVSA-N 0 0 335.452 1.701 10 0 EDAERN COc1ccc(Br)c(NC(=O)C2=NNC(=O)CC2)c1 ZINC000112465860 220333759 /nfs/dbraw/zinc/33/37/59/220333759.db2.gz AAXVCQHFUXJIJZ-UHFFFAOYSA-N 0 0 326.150 1.662 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000112473076 220333887 /nfs/dbraw/zinc/33/38/87/220333887.db2.gz XKQWWIWGMZOUIF-UHFFFAOYSA-N 0 0 338.795 1.677 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CO)cc1 ZINC000097204226 218995603 /nfs/dbraw/zinc/99/56/03/218995603.db2.gz WIAIBPZZIZIXSP-DZGCQCFKSA-N 0 0 342.461 1.185 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)N3CCS(=O)(=O)[C@H](C)C3)c2)n[nH]1 ZINC000153589076 224126420 /nfs/dbraw/zinc/12/64/20/224126420.db2.gz VHDFJDUOWBYOOU-SNVBAGLBSA-N 0 0 349.416 1.431 10 0 EDAERN COCCOCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171800722 533083245 /nfs/dbraw/zinc/08/32/45/533083245.db2.gz DZQMZVKZVMZWAI-WBVHZDCISA-N 0 0 334.416 1.375 10 0 EDAERN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112649593 220364481 /nfs/dbraw/zinc/36/44/81/220364481.db2.gz MREGGQOJBCMJLG-NSHDSACASA-N 0 0 340.412 1.850 10 0 EDAERN C[C@H]1CN(C(=O)NCCNC(=O)c2c(F)cccc2F)CCS1 ZINC000112720787 220385780 /nfs/dbraw/zinc/38/57/80/220385780.db2.gz KPHHQXRDNVVJRY-JTQLQIEISA-N 0 0 343.399 1.842 10 0 EDAERN Cc1nc2ccccc2n1CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112741098 220392248 /nfs/dbraw/zinc/39/22/48/220392248.db2.gz MHWMPYSAUTZWSZ-ZDUSSCGKSA-N 0 0 339.403 1.250 10 0 EDAERN CC(C)COC[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccco1 ZINC000112747481 220397184 /nfs/dbraw/zinc/39/71/84/220397184.db2.gz HBESDMYWYQFGCB-KGLIPLIRSA-N 0 0 347.419 1.899 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@H]1c3ccccc3NC1=O)CC2 ZINC000114866810 220771152 /nfs/dbraw/zinc/77/11/52/220771152.db2.gz QWYIMFSZHLXFBF-AAEUAGOBSA-N 0 0 339.399 1.398 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1C)c1cccc(-n2ccnc2)c1 ZINC000154029205 224192652 /nfs/dbraw/zinc/19/26/52/224192652.db2.gz LLFZJFJVFOWGLF-GFCCVEGCSA-N 0 0 338.371 1.422 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000154038833 224193597 /nfs/dbraw/zinc/19/35/97/224193597.db2.gz FUYFRGRZIVNJEC-HUUCEWRRSA-N 0 0 329.404 1.763 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CCO2)c1 ZINC000154258939 224227609 /nfs/dbraw/zinc/22/76/09/224227609.db2.gz UVDGOOZDKWYSDI-CQSZACIVSA-N 0 0 335.354 1.940 10 0 EDAERN CCOCCN1CCN(C(=O)CCc2nc(C(C)C)no2)C[C@H]1C ZINC000117282235 221040951 /nfs/dbraw/zinc/04/09/51/221040951.db2.gz VEYWZGJJTQFVFT-CQSZACIVSA-N 0 0 338.452 1.695 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(OC)cc2OC)C[C@H]1C ZINC000117281450 221040999 /nfs/dbraw/zinc/04/09/99/221040999.db2.gz VPHNTPFKANJPHM-CQSZACIVSA-N 0 0 336.432 1.887 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCN1CCOC ZINC000117372569 221058290 /nfs/dbraw/zinc/05/82/90/221058290.db2.gz QFAQGWKQMZKESZ-HNNXBMFYSA-N 0 0 326.462 1.726 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)Cc2ccccc2)CCN1CCOC ZINC000117371537 221059334 /nfs/dbraw/zinc/05/93/34/221059334.db2.gz OIGTXHSWXIYTPW-INIZCTEOSA-N 0 0 326.462 1.559 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(OC)cc2OC)CCN1CCOC ZINC000117306866 221051249 /nfs/dbraw/zinc/05/12/49/221051249.db2.gz QOMISDUVCFNHMP-AWEZNQCLSA-N 0 0 336.432 1.887 10 0 EDAERN COCCN1CCN(C(=O)NCc2nccn2C(F)F)C[C@H]1C ZINC000117489738 221070804 /nfs/dbraw/zinc/07/08/04/221070804.db2.gz SIOOIPSFYFXCHO-LLVKDONJSA-N 0 0 331.367 1.140 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117522452 221074699 /nfs/dbraw/zinc/07/46/99/221074699.db2.gz LLTNCXLFCUBOOS-CQSZACIVSA-N 0 0 333.432 1.367 10 0 EDAERN O=C(NCC1CC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000117474174 221068832 /nfs/dbraw/zinc/06/88/32/221068832.db2.gz MJGFKNQLBUZYQU-MRXNPFEDSA-N 0 0 333.432 1.164 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c1 ZINC000117816801 221093086 /nfs/dbraw/zinc/09/30/86/221093086.db2.gz MTOXTVURLWOPKB-CQSZACIVSA-N 0 0 334.445 1.824 10 0 EDAERN CSCc1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1 ZINC000118133509 221128399 /nfs/dbraw/zinc/12/83/99/221128399.db2.gz MJVNMKFKPRAMMQ-UHFFFAOYSA-N 0 0 332.429 1.809 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)c(C)c1 ZINC000118808271 221187373 /nfs/dbraw/zinc/18/73/73/221187373.db2.gz SKRUVPAJOZSUSV-OAHLLOKOSA-N 0 0 346.431 1.829 10 0 EDAERN C[C@@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000173502336 533223048 /nfs/dbraw/zinc/22/30/48/533223048.db2.gz KRZNLMBECWSCCB-LLVKDONJSA-N 0 0 349.412 1.672 10 0 EDAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000119260379 221279192 /nfs/dbraw/zinc/27/91/92/221279192.db2.gz GICJPSYNUFZZIO-NWDGAFQWSA-N 0 0 337.424 1.706 10 0 EDAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3cccnc3)CC2)cn1 ZINC000119261204 221280226 /nfs/dbraw/zinc/28/02/26/221280226.db2.gz BRFYMUXKJZGKLY-UHFFFAOYSA-N 0 0 327.388 1.643 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](C)CC(C)(C)OC)CCO2)[nH]1 ZINC000119314781 221292214 /nfs/dbraw/zinc/29/22/14/221292214.db2.gz WAPIWONXZQMQGO-VXGBXAGGSA-N 0 0 339.440 1.654 10 0 EDAERN COCCC1(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CCC1 ZINC000119471904 221328573 /nfs/dbraw/zinc/32/85/73/221328573.db2.gz PITKVYYZAGVFAE-HZPDHXFCSA-N 0 0 339.480 1.555 10 0 EDAERN CO[C@H]1Cn2cccc2CN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000248010248 257670176 /nfs/dbraw/zinc/67/01/76/257670176.db2.gz DJNUMNNRGWUXIP-AWEZNQCLSA-N 0 0 338.433 1.058 10 0 EDAERN Fc1cnc(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1 ZINC000503717869 257831169 /nfs/dbraw/zinc/83/11/69/257831169.db2.gz QGYYSDCBMMGSAA-JYJNAYRXSA-N 0 0 347.394 1.655 10 0 EDAERN CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)cc1 ZINC000027028590 258005534 /nfs/dbraw/zinc/00/55/34/258005534.db2.gz JCSXTBDMLNQDJJ-QWHCGFSZSA-N 0 0 334.401 1.917 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccccc1F ZINC000154956611 533283842 /nfs/dbraw/zinc/28/38/42/533283842.db2.gz JIOOYFKOCVDVEH-LBPRGKRZSA-N 0 0 334.351 1.594 10 0 EDAERN COC(=O)CCn1cc(Br)cc(Br)c1=O ZINC000163969314 533464210 /nfs/dbraw/zinc/46/42/10/533464210.db2.gz QDYJYLPRPDLWBO-UHFFFAOYSA-N 0 0 338.983 1.936 10 0 EDAERN O=S(=O)(c1ccccc1N1CCO[C@@H](CO)C1)C(F)(F)F ZINC000094267382 296472197 /nfs/dbraw/zinc/47/21/97/296472197.db2.gz UUWADIMYASENJV-SECBINFHSA-N 0 0 325.308 1.178 10 0 EDAERN COC(=O)C[C@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000131249111 533672490 /nfs/dbraw/zinc/67/24/90/533672490.db2.gz LGNXFRCRWLPBRC-HOCLYGCPSA-N 0 0 334.416 1.063 10 0 EDAERN C[C@H](CC(=O)N1CC[C@@H](Oc2ccccn2)C1)N1CCCCC1=O ZINC000328739305 140672967 /nfs/dbraw/zinc/67/29/67/140672967.db2.gz LEPRRHHKOPTZQO-HUUCEWRRSA-N 0 0 331.416 1.852 10 0 EDAERN C[C@@H]1CN(c2ccnc(C(=O)N3CCC[C@@H]3C(N)=O)c2)C[C@@H](C)O1 ZINC000330091829 140801801 /nfs/dbraw/zinc/80/18/01/140801801.db2.gz QGMQVYAFTYMSOL-LALPHHSUSA-N 0 0 332.404 1.835 10 0 EDAERN O=C(Cc1cn2ccsc2n1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333018706 141250740 /nfs/dbraw/zinc/25/07/40/141250740.db2.gz CVAZHWIDWGTYHN-OLZOCXBDSA-N 0 0 346.456 1.846 10 0 EDAERN Cc1nccn1-c1cncc(N2CCC(C)(C)S(=O)(=O)CC2)n1 ZINC000333265894 141289943 /nfs/dbraw/zinc/28/99/43/141289943.db2.gz GUSQURRBFVKTNO-UHFFFAOYSA-N 0 0 335.433 1.374 10 0 EDAERN Cc1nc(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)sc1C ZINC000333295369 141294361 /nfs/dbraw/zinc/29/43/61/141294361.db2.gz RZXJOQYRSWNVNO-JTQLQIEISA-N 0 0 327.435 1.446 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H](COC)C2CC2)C12CCOCC2 ZINC000248713490 286269248 /nfs/dbraw/zinc/26/92/48/286269248.db2.gz NFDGYQNJRANJMA-RBSFLKMASA-N 0 0 326.437 1.685 10 0 EDAERN O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000371812361 156117680 /nfs/dbraw/zinc/11/76/80/156117680.db2.gz FLGCRMKZFSMWEO-SFHVURJKSA-N 0 0 340.427 1.478 10 0 EDAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330154072 304413882 /nfs/dbraw/zinc/41/38/82/304413882.db2.gz XPSQLIYVIQHYSI-CMPLNLGQSA-N 0 0 328.328 1.365 10 0 EDAERN CC[C@@H](O)CN1CCN([C@@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000118857413 286943566 /nfs/dbraw/zinc/94/35/66/286943566.db2.gz VDJOXLUYHSKRHN-RTBURBONSA-N 0 0 347.503 1.985 10 0 EDAERN CC(C)[C@H](C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)N1CCCC1=O ZINC000081449529 287312929 /nfs/dbraw/zinc/31/29/29/287312929.db2.gz GOGQPUXOWMBESX-TZMCWYRMSA-N 0 0 326.437 1.822 10 0 EDAERN CCn1ncc(Br)c1[C@H](O)C(C)(C)S(C)(=O)=O ZINC000158776425 225081956 /nfs/dbraw/zinc/08/19/56/225081956.db2.gz ULRZFWRFTADCGY-VIFPVBQESA-N 0 0 325.228 1.522 10 0 EDAERN CCC1CCC(NC(=O)N2CCC([C@@H](O)C(=O)OC)CC2)CC1 ZINC000120889905 287365695 /nfs/dbraw/zinc/36/56/95/287365695.db2.gz PNEJQPRUNPZYMN-PESDSKBTSA-N 0 0 326.437 1.911 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N1CC[C@H](CO)C1 ZINC000161485319 225636298 /nfs/dbraw/zinc/63/62/98/225636298.db2.gz JRZJSTVITSXVJG-QMMMGPOBSA-N 0 0 335.223 1.034 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1cccc(Cl)c1 ZINC000123476695 287388118 /nfs/dbraw/zinc/38/81/18/287388118.db2.gz JPYLRICRYGOHEN-JTQLQIEISA-N 0 0 333.775 1.855 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)N2C[C@H]3CC[C@@H]2C3)c1 ZINC000165096898 226109698 /nfs/dbraw/zinc/10/96/98/226109698.db2.gz DJKAKWOQGJYAHG-JGVFFNPUSA-N 0 0 332.784 1.751 10 0 EDAERN Cc1ccc([S@](=O)C[C@H]2CCCN(S(C)(=O)=O)C2)c(N)c1 ZINC000165304900 226119664 /nfs/dbraw/zinc/11/96/64/226119664.db2.gz CJLQLXKGYCEYQN-YUNKPMOVSA-N 0 0 330.475 1.356 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000165498013 226127071 /nfs/dbraw/zinc/12/70/71/226127071.db2.gz PEKUEHRLWQEPGL-LBPRGKRZSA-N 0 0 327.388 1.739 10 0 EDAERN Nc1cc(Br)ccc1[S@](=O)[C@H]1CCS(=O)(=O)C1 ZINC000165726826 226133727 /nfs/dbraw/zinc/13/37/27/226133727.db2.gz ALSCLRNCVLEGBE-PWJLMRLQSA-N 0 0 338.248 1.326 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N2CCC[C@H]2CO)c1Cl ZINC000165918246 226140609 /nfs/dbraw/zinc/14/06/09/226140609.db2.gz XMAWKHXPXNABOZ-ZETCQYMHSA-N 0 0 325.217 1.721 10 0 EDAERN COCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000167992020 226206162 /nfs/dbraw/zinc/20/61/62/226206162.db2.gz WYWPMKOFZPYUDT-UHFFFAOYSA-N 0 0 338.788 1.281 10 0 EDAERN O=C1CC[C@H]2CN(c3nc(Cl)ncc3Br)CCN12 ZINC000168696384 226221357 /nfs/dbraw/zinc/22/13/57/226221357.db2.gz HDIORLBVJOGDCH-ZETCQYMHSA-N 0 0 331.601 1.704 10 0 EDAERN C[C@@]1(C2CC2)C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168904726 226226124 /nfs/dbraw/zinc/22/61/24/226226124.db2.gz POWIMXWUOJOMRX-CQSZACIVSA-N 0 0 338.205 1.471 10 0 EDAERN NC(=O)c1cccc(CNC(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000122756441 222151763 /nfs/dbraw/zinc/15/17/63/222151763.db2.gz YAEWVPBNHVWNKW-UHFFFAOYSA-N 0 0 341.415 1.604 10 0 EDAERN CN1CCO[C@H]2CN(C(=O)c3cccc(Nc4cnccn4)c3)C[C@@H]21 ZINC000123969511 222359802 /nfs/dbraw/zinc/35/98/02/222359802.db2.gz YDYKAQUVFLBLIE-HOTGVXAUSA-N 0 0 339.399 1.375 10 0 EDAERN CCn1cc(C2CCN(C(=O)c3c(OC)ncnc3OC)CC2)cn1 ZINC000172377628 227661889 /nfs/dbraw/zinc/66/18/89/227661889.db2.gz MGBYDPDOQOVWNA-UHFFFAOYSA-N 0 0 345.403 1.730 10 0 EDAERN CNC(=O)CCCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000154098878 287637885 /nfs/dbraw/zinc/63/78/85/287637885.db2.gz BTWZNKFNTUZHLE-UHFFFAOYSA-N 0 0 330.388 1.393 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC[C@H](C)O2)s1 ZINC000154129164 287638839 /nfs/dbraw/zinc/63/88/39/287638839.db2.gz VQYXFAIAHFQPHM-ONGXEEELSA-N 0 0 332.447 1.019 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cc(-c3cccs3)on2)C[C@H]1C ZINC000174337213 533684481 /nfs/dbraw/zinc/68/44/81/533684481.db2.gz BXVNNBGOMKBLFE-VXGBXAGGSA-N 0 0 335.429 1.930 10 0 EDAERN CC(C)(C)c1nnsc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000191955856 272983027 /nfs/dbraw/zinc/98/30/27/272983027.db2.gz CFDBAVRBKDBTJN-LLVKDONJSA-N 0 0 335.433 1.573 10 0 EDAERN O=C(c1ccoc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000193575372 272996012 /nfs/dbraw/zinc/99/60/12/272996012.db2.gz BKIDNNDDUYTAQD-SNVBAGLBSA-N 0 0 340.177 1.780 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000193577348 272996139 /nfs/dbraw/zinc/99/61/39/272996139.db2.gz QKVOHLRAPPWYEP-OAHLLOKOSA-N 0 0 332.400 1.518 10 0 EDAERN O=C(CNC(=O)c1ccccc1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000074905496 267395573 /nfs/dbraw/zinc/39/55/73/267395573.db2.gz DPIMGBZLMGUZCZ-SFHVURJKSA-N 0 0 338.407 1.887 10 0 EDAERN COC(=O)C1CCC(C(=O)NCCC(=O)NCc2ccccc2)CC1 ZINC000179919139 267632568 /nfs/dbraw/zinc/63/25/68/267632568.db2.gz XQQHBOXRGLGQGR-UHFFFAOYSA-N 0 0 346.427 1.789 10 0 EDAERN C[C@H](O)CNC(=O)c1cccc(OCc2nnc(C3CC3)n2C)c1 ZINC000181886463 267648761 /nfs/dbraw/zinc/64/87/61/267648761.db2.gz LHUCOJWTJFJDNL-NSHDSACASA-N 0 0 330.388 1.382 10 0 EDAERN COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000046262297 272912330 /nfs/dbraw/zinc/91/23/30/272912330.db2.gz KVVOFFYUCRVEGY-STQMWFEESA-N 0 0 339.411 1.915 10 0 EDAERN O=C(NCCCOC1CCOCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119132693 272925070 /nfs/dbraw/zinc/92/50/70/272925070.db2.gz FBDMAYPMMPDXIT-QAPCUYQASA-N 0 0 340.464 1.909 10 0 EDAERN COc1cccc(CC(=O)N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)c1 ZINC000157575149 287685537 /nfs/dbraw/zinc/68/55/37/287685537.db2.gz VABFTLRBUMDBPN-QGZVFWFLSA-N 0 0 348.443 1.316 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000189474900 273753835 /nfs/dbraw/zinc/75/38/35/273753835.db2.gz IAXGRBVTGGKCIM-HNNXBMFYSA-N 0 0 333.432 1.157 10 0 EDAERN C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248420191 287770448 /nfs/dbraw/zinc/77/04/48/287770448.db2.gz WHVPWTRAJHAPQO-MJBXVCDLSA-N 0 0 326.437 1.863 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1CO ZINC000248980396 287785844 /nfs/dbraw/zinc/78/58/44/287785844.db2.gz VGITUAQBHQLPBN-AAVRWANBSA-N 0 0 326.437 1.909 10 0 EDAERN COCCN1CCN(C(=O)c2c(Cl)n(C)nc2C(C)C)C[C@H]1C ZINC000121408385 277224964 /nfs/dbraw/zinc/22/49/64/277224964.db2.gz OGFBTHGXZQUCDH-GFCCVEGCSA-N 0 0 342.871 1.990 10 0 EDAERN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000180974242 278798231 /nfs/dbraw/zinc/79/82/31/278798231.db2.gz VBYCGUKRTZRBFB-HNNXBMFYSA-N 0 0 334.445 1.996 10 0 EDAERN CC(C)NC(=O)CN(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249120965 279572778 /nfs/dbraw/zinc/57/27/78/279572778.db2.gz WHNXMPRLMZQWQM-LRDDRELGSA-N 0 0 344.477 1.168 10 0 EDAERN CC(C)[C@@H]1N(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C[C@@]12CCCO2 ZINC000329347621 280041620 /nfs/dbraw/zinc/04/16/20/280041620.db2.gz VQJDSNNWMWSHQS-MVWRLGRASA-N 0 0 348.443 1.578 10 0 EDAERN O=C1N[C@@H](c2cc(Br)ccc2Cl)N2CCOC[C@@H]12 ZINC000093883096 280296843 /nfs/dbraw/zinc/29/68/43/280296843.db2.gz AZASVZNNWNGNBF-WDEREUQCSA-N 0 0 331.597 1.932 10 0 EDAERN CC(C)[C@H]1N(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@]12CCCO2 ZINC000329327861 280445746 /nfs/dbraw/zinc/44/57/46/280445746.db2.gz KCJQUSVLTZHTDD-UKRRQHHQSA-N 0 0 329.462 1.760 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000248454905 289741397 /nfs/dbraw/zinc/74/13/97/289741397.db2.gz MDAHNUPDEJXUNQ-MKJWYEAFSA-N 0 0 340.420 1.228 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N[C@H]2CCCCNC2=O)[C@@H]1c1ccc(F)cc1 ZINC000245664183 289837525 /nfs/dbraw/zinc/83/75/25/289837525.db2.gz QMALMGZRYHVFAN-DZKIICNBSA-N 0 0 347.390 1.130 10 0 EDAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000029874251 290241876 /nfs/dbraw/zinc/24/18/76/290241876.db2.gz PYQOLJKSJKEEEI-LLVKDONJSA-N 0 0 344.392 1.703 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000081588658 293523134 /nfs/dbraw/zinc/52/31/34/293523134.db2.gz DJNVDJVCOWWGPO-CYBMUJFWSA-N 0 0 339.355 1.077 10 0 EDAERN COc1ccc([C@@H](NC(=O)CN2CCCNC(=O)[C@H]2C)C(C)C)cc1 ZINC000249064400 295214301 /nfs/dbraw/zinc/21/43/01/295214301.db2.gz QBAGJXVVLSJLLN-KDOFPFPSSA-N 0 0 347.459 1.719 10 0 EDAERN Nc1nccn2c(Br)nc(I)c12 ZINC000095643036 295372101 /nfs/dbraw/zinc/37/21/01/295372101.db2.gz MITPLXDCNLKKEZ-UHFFFAOYSA-N 0 0 338.934 1.679 10 0 EDAERN CCOc1cc(/C=C\C(=O)N[C@@H]2CCc3ncnn3C2)ccc1O ZINC000492524478 305594373 /nfs/dbraw/zinc/59/43/73/305594373.db2.gz XHKFUIVVYUDBQO-IBSXUBTNSA-N 0 0 328.372 1.527 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)/C=C\c3ccc(O)cc3)CCO2)c1 ZINC000493783088 447394624 /nfs/dbraw/zinc/39/46/24/447394624.db2.gz GNROUXPQFMNLJB-DANOYGIBSA-N 0 0 327.384 1.838 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)/C=C\c3cncc(O)c3)CCO2)cn1 ZINC000493852186 447410581 /nfs/dbraw/zinc/41/05/81/447410581.db2.gz VEEYMEFLOAXBTH-MJSXRHKHSA-N 0 0 328.372 1.617 10 0 EDAERN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1 ZINC000000262412 440811297 /nfs/dbraw/zinc/81/12/97/440811297.db2.gz OXQXFEMIIZXMEJ-ZDUSSCGKSA-N 0 0 349.431 1.714 10 0 EDAERN CCn1c(SCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C ZINC000005586172 440960287 /nfs/dbraw/zinc/96/02/87/440960287.db2.gz CNPOGEJGIQCGLQ-UHFFFAOYSA-N 0 0 331.401 1.141 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)NC(=O)NCCNS(C)(=O)=O)cc1 ZINC000045653400 441014165 /nfs/dbraw/zinc/01/41/65/441014165.db2.gz GFSLMDAIHJRAPB-CYBMUJFWSA-N 0 0 341.477 1.795 10 0 EDAERN CCCNC(=O)c1cccc(NC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000045739838 441025837 /nfs/dbraw/zinc/02/58/37/441025837.db2.gz QPAOMEWDCBPBOV-AWEZNQCLSA-N 0 0 348.447 1.669 10 0 EDAERN Cn1c2cncnc2n([C@H]2CCCN(C(=O)c3ccncc3)C2)c1=O ZINC000097940700 441146115 /nfs/dbraw/zinc/14/61/15/441146115.db2.gz QUMKALIXRPLHPG-ZDUSSCGKSA-N 0 0 338.371 1.002 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000080403762 441167901 /nfs/dbraw/zinc/16/79/01/441167901.db2.gz PGJTXADQRVGGRV-CYBMUJFWSA-N 0 0 343.383 1.173 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc([S@@](C)=O)cc2)C1 ZINC000080198286 441149365 /nfs/dbraw/zinc/14/93/65/441149365.db2.gz MTCXQZGNOCKURS-FATZIPQQSA-N 0 0 337.445 1.234 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1COc2ccccc21 ZINC000058506952 441200025 /nfs/dbraw/zinc/20/00/25/441200025.db2.gz RLGOGKAALBPQNE-SNVBAGLBSA-N 0 0 327.793 1.794 10 0 EDAERN CCNC(=O)c1ccc(NCCNc2cc(C)nc3ncnn32)nc1 ZINC000080985284 441217267 /nfs/dbraw/zinc/21/72/67/441217267.db2.gz VQKPJSXUAPKXPC-UHFFFAOYSA-N 0 0 340.391 1.101 10 0 EDAERN C[C@H](NC(=O)CCc1ccccc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000017852620 441246154 /nfs/dbraw/zinc/24/61/54/441246154.db2.gz BJCKCDXHCXBTQJ-LBPRGKRZSA-N 0 0 348.424 1.850 10 0 EDAERN CN(c1cccnn1)C1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000105806266 441274655 /nfs/dbraw/zinc/27/46/55/441274655.db2.gz HBZPESQRNCSARH-UHFFFAOYSA-N 0 0 331.464 1.780 10 0 EDAERN COCCN1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)C[C@H]1C ZINC000105832137 441285262 /nfs/dbraw/zinc/28/52/62/441285262.db2.gz QUUGZAPTFKDGGZ-JKSUJKDBSA-N 0 0 331.460 1.617 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C[C@H]1C ZINC000105831911 441286389 /nfs/dbraw/zinc/28/63/89/441286389.db2.gz GOVJDUOXVBYLEJ-CABCVRRESA-N 0 0 347.459 1.869 10 0 EDAERN COCCN1CCN(CC(=O)NCc2sccc2C)C[C@H]1C ZINC000105833915 441286821 /nfs/dbraw/zinc/28/68/21/441286821.db2.gz TZEMOVBEHMOFHD-CQSZACIVSA-N 0 0 325.478 1.325 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)OC)CC2)cn1 ZINC000105834901 441287580 /nfs/dbraw/zinc/28/75/80/441287580.db2.gz MSVYTBWNUPCVQB-HOTGVXAUSA-N 0 0 348.447 1.137 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CCCN3C(=O)CN(C)C3=O)C2)c1 ZINC000105858146 441293069 /nfs/dbraw/zinc/29/30/69/441293069.db2.gz ZUFOADDAJGCHDM-CQSZACIVSA-N 0 0 347.419 1.029 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1Cn1cncn1 ZINC000081584994 441293562 /nfs/dbraw/zinc/29/35/62/441293562.db2.gz DADUGSCUSFBFAC-OAHLLOKOSA-N 0 0 337.387 1.491 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@H](n3cncn3)C2)c1C ZINC000106219382 441327468 /nfs/dbraw/zinc/32/74/68/441327468.db2.gz XTRFGYDACPYESP-AWEZNQCLSA-N 0 0 329.404 1.945 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 ZINC000106397999 441339608 /nfs/dbraw/zinc/33/96/08/441339608.db2.gz JKGUEIOWLMUHGL-OAHLLOKOSA-N 0 0 343.427 1.772 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C)o2)c(C)o1 ZINC000081665509 441300059 /nfs/dbraw/zinc/30/00/59/441300059.db2.gz FMYNWLQNHQQCHP-VIFPVBQESA-N 0 0 326.374 1.889 10 0 EDAERN C[C@H](CNC(=O)NCc1ccccc1OC(F)F)N1CCOCC1 ZINC000048410325 441303641 /nfs/dbraw/zinc/30/36/41/441303641.db2.gz WJDBAQCNEBJBDU-GFCCVEGCSA-N 0 0 343.374 1.808 10 0 EDAERN Cc1ccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)cc1C ZINC000105888607 441307749 /nfs/dbraw/zinc/30/77/49/441307749.db2.gz NQXIPQMOLKXUGO-KRWDZBQOSA-N 0 0 328.416 1.839 10 0 EDAERN CSc1cccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105889003 441307983 /nfs/dbraw/zinc/30/79/83/441307983.db2.gz ZUEANXSIYMOPEQ-OAHLLOKOSA-N 0 0 346.456 1.945 10 0 EDAERN COc1ccccc1OCCN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892745 441310251 /nfs/dbraw/zinc/31/02/51/441310251.db2.gz YYSYWQWYXSKRED-MRXNPFEDSA-N 0 0 331.416 1.980 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000105891531 441310339 /nfs/dbraw/zinc/31/03/39/441310339.db2.gz HHRULUDMIRXNOU-QGZVFWFLSA-N 0 0 329.400 1.879 10 0 EDAERN Cc1ncc(CN2CCN(C[C@H](O)COC(C)(C)C)CC2)s1 ZINC000105894286 441311139 /nfs/dbraw/zinc/31/11/39/441311139.db2.gz QELNNRUSDGFVDC-AWEZNQCLSA-N 0 0 327.494 1.745 10 0 EDAERN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926160 441317513 /nfs/dbraw/zinc/31/75/13/441317513.db2.gz DRXVXBDJFZXQQV-MSOLQXFVSA-N 0 0 333.476 1.859 10 0 EDAERN COc1ccc(-c2noc(CN3CCO[C@@H](C[NH+](C)C)C3)n2)cc1 ZINC000105927459 441318032 /nfs/dbraw/zinc/31/80/32/441318032.db2.gz ZVEJAKUPLKIVPO-HNNXBMFYSA-N 0 0 332.404 1.508 10 0 EDAERN COc1ccc(CN(C)C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1O ZINC000083750046 441373807 /nfs/dbraw/zinc/37/38/07/441373807.db2.gz NKZPDHRHJXLPMV-CYBMUJFWSA-N 0 0 345.403 1.977 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000083741780 441374140 /nfs/dbraw/zinc/37/41/40/441374140.db2.gz CFPYCKPEIUUHGY-ZDUSSCGKSA-N 0 0 343.387 1.992 10 0 EDAERN O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CNC(=O)C1 ZINC000106829556 441377056 /nfs/dbraw/zinc/37/70/56/441377056.db2.gz RZXIWVZSUKKLTP-HNNXBMFYSA-N 0 0 349.862 1.804 10 0 EDAERN CC(C)CNC(=O)Cn1ncc2c1ncnc2N1CCCCCC1 ZINC000065295314 441415174 /nfs/dbraw/zinc/41/51/74/441415174.db2.gz APLWFKYUEMWTKM-UHFFFAOYSA-N 0 0 330.436 1.979 10 0 EDAERN Cc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@@H]3O)C2=O)cc1 ZINC000074608407 441449020 /nfs/dbraw/zinc/44/90/20/441449020.db2.gz HVDSNEKTMUMOIC-XIRDDKMYSA-N 0 0 345.443 1.951 10 0 EDAERN O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(F)cc3)CCN12 ZINC000085436214 441440821 /nfs/dbraw/zinc/44/08/21/441440821.db2.gz FXAZOZCVQKJTJD-QGZVFWFLSA-N 0 0 333.407 1.927 10 0 EDAERN CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H](C)N1CCOCC1 ZINC000108624873 441470401 /nfs/dbraw/zinc/47/04/01/441470401.db2.gz FKQSCZMPWDSEDH-AWEZNQCLSA-N 0 0 348.447 1.667 10 0 EDAERN NC(=O)C1(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000109086461 441487633 /nfs/dbraw/zinc/48/76/33/441487633.db2.gz NTEVHAMBNTUKFO-RYUDHWBXSA-N 0 0 338.354 1.467 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C(=O)OC)c1 ZINC000087563485 441494166 /nfs/dbraw/zinc/49/41/66/441494166.db2.gz TVVFBIWSBSYFNL-CYBMUJFWSA-N 0 0 328.372 1.892 10 0 EDAERN CC[C@@H]1CN(c2ncc(C(N)=O)cc2Cl)CCN1CCOC ZINC000109320230 441495080 /nfs/dbraw/zinc/49/50/80/441495080.db2.gz CUJDFGLIOKNCAS-GFCCVEGCSA-N 0 0 326.828 1.381 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1c(C)nn(C)c1C ZINC000088197138 441495337 /nfs/dbraw/zinc/49/53/37/441495337.db2.gz LAAJNAFZQVWJIL-AWEZNQCLSA-N 0 0 330.436 1.775 10 0 EDAERN COc1c(C)cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1C ZINC000113298532 441599917 /nfs/dbraw/zinc/59/99/17/441599917.db2.gz GQDXXSCQDNALQV-GFCCVEGCSA-N 0 0 336.417 1.197 10 0 EDAERN C/C(=C\C(=O)NC(C)(C)C)OC(=O)c1nc(Cl)c(N)nc1N ZINC000039206658 441616970 /nfs/dbraw/zinc/61/69/70/441616970.db2.gz KWEKFYKKCAGWAL-AATRIKPKSA-N 0 0 327.772 1.270 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)c1ncc(-c2ccccc2)n1C ZINC000113634771 441621332 /nfs/dbraw/zinc/62/13/32/441621332.db2.gz SCTNCWILSISHAU-UHFFFAOYSA-N 0 0 346.416 1.628 10 0 EDAERN O=C(NCC(=O)N1CCCC[C@@H]1c1cn[nH]c1)NCc1ccco1 ZINC000113887372 441626663 /nfs/dbraw/zinc/62/66/63/441626663.db2.gz GBSYKWBULDFXFP-CQSZACIVSA-N 0 0 331.376 1.556 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCO[C@H]4CCCC[C@@H]43)cc2[nH]1 ZINC000055257433 441635133 /nfs/dbraw/zinc/63/51/33/441635133.db2.gz ONDFUDPAJODGQY-KBPBESRZSA-N 0 0 337.401 1.188 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1[S@@](=O)CC)CC2 ZINC000114863194 441693053 /nfs/dbraw/zinc/69/30/53/441693053.db2.gz OHYGATLFERTUNB-OIRASMEMSA-N 0 0 346.456 1.713 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1OC)CC2 ZINC000114874441 441694347 /nfs/dbraw/zinc/69/43/47/441694347.db2.gz VESINFANLSMRPR-NSHDSACASA-N 0 0 336.417 1.142 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCc3cccc(F)c3)CCO2)[nH]1 ZINC000136554561 441703231 /nfs/dbraw/zinc/70/32/31/441703231.db2.gz IDKFPMRATKBTPB-AWEZNQCLSA-N 0 0 347.394 1.832 10 0 EDAERN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091780684 441740858 /nfs/dbraw/zinc/74/08/58/441740858.db2.gz GOBYYEUCEDSSIW-GWCFXTLKSA-N 0 0 344.333 1.597 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(CC)(CO)CC1)CC2 ZINC000121520954 441724569 /nfs/dbraw/zinc/72/45/69/441724569.db2.gz TWEOROYSZNWZME-CYBMUJFWSA-N 0 0 335.452 1.349 10 0 EDAERN CCCNC(=O)CCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000136836016 441727724 /nfs/dbraw/zinc/72/77/24/441727724.db2.gz SLHHSYKZXDSLLB-CYBMUJFWSA-N 0 0 335.452 1.529 10 0 EDAERN Cc1nc(SCC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n[nH]1 ZINC000136869972 441729207 /nfs/dbraw/zinc/72/92/07/441729207.db2.gz YKLFVIOIKUEQAA-JTQLQIEISA-N 0 0 335.437 1.051 10 0 EDAERN CCOCCS(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000116351210 441815361 /nfs/dbraw/zinc/81/53/61/441815361.db2.gz FBQXHXXNBBKKQW-UHFFFAOYSA-N 0 0 347.506 1.326 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000173511313 441773516 /nfs/dbraw/zinc/77/35/16/441773516.db2.gz LYFAPHRMDHCXGN-ZDUSSCGKSA-N 0 0 331.482 1.079 10 0 EDAERN CC(C)(C)OC(=O)CC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000137824155 441780518 /nfs/dbraw/zinc/78/05/18/441780518.db2.gz MAPMSAVDQMPFSC-MNOVXSKESA-N 0 0 329.393 1.658 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H]3COc4ccccc43)CCO2)[nH]1 ZINC000137985030 441782217 /nfs/dbraw/zinc/78/22/17/441782217.db2.gz UPUBIIPYKUSIFY-TZMCWYRMSA-N 0 0 343.387 1.584 10 0 EDAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)nn1 ZINC000121856059 441796192 /nfs/dbraw/zinc/79/61/92/441796192.db2.gz OCAQUZUUZWXASD-ACJLOTCBSA-N 0 0 348.447 1.661 10 0 EDAERN CCc1c(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)[nH]c(C)c1C(C)=O ZINC000173603270 441802104 /nfs/dbraw/zinc/80/21/04/441802104.db2.gz INKTZGCBJIUFTI-CYBMUJFWSA-N 0 0 345.403 1.728 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2ccco2)cc1 ZINC000116291041 441808905 /nfs/dbraw/zinc/80/89/05/441808905.db2.gz CDSJGJKRGPTOAE-CQSZACIVSA-N 0 0 349.412 1.703 10 0 EDAERN CS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077776172 441858431 /nfs/dbraw/zinc/85/84/31/441858431.db2.gz KUFDWYJJIZCRDN-ZFWWWQNUSA-N 0 0 340.445 1.440 10 0 EDAERN Cc1ccc(CNC(=O)CN2CC[C@H](N3CCOCC3)C2)cc1F ZINC000173932602 441864325 /nfs/dbraw/zinc/86/43/25/441864325.db2.gz VWQNKZHVXBQYBC-INIZCTEOSA-N 0 0 335.423 1.157 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000077827741 441872018 /nfs/dbraw/zinc/87/20/18/441872018.db2.gz XKAOORCGAWLUQL-BJJXKVORSA-N 0 0 349.406 1.781 10 0 EDAERN CCOC(=O)CCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000173685534 441823948 /nfs/dbraw/zinc/82/39/48/441823948.db2.gz CAFFRWWKVYSZHR-UHFFFAOYSA-N 0 0 342.443 1.943 10 0 EDAERN COc1cccc(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173778048 441839221 /nfs/dbraw/zinc/83/92/21/441839221.db2.gz GFVBKMCVGJPOKM-MRXNPFEDSA-N 0 0 333.432 1.354 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000173809807 441843666 /nfs/dbraw/zinc/84/36/66/441843666.db2.gz BGIKGLCAXCLWNS-KRWDZBQOSA-N 0 0 346.406 1.520 10 0 EDAERN CC(C)COc1ncccc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173832506 441846883 /nfs/dbraw/zinc/84/68/83/441846883.db2.gz VCOKZOMRKVXRCN-WBVHZDCISA-N 0 0 347.459 1.909 10 0 EDAERN C[C@@H]1CN(C(=O)CSCc2ccncc2)C[C@@H]1N1CCOCC1 ZINC000173830432 441847249 /nfs/dbraw/zinc/84/72/49/441847249.db2.gz MIHWHMCDAQZGKW-ZBFHGGJFSA-N 0 0 335.473 1.494 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCC3CCOCC3)CC2)no1 ZINC000174489293 441930176 /nfs/dbraw/zinc/93/01/76/441930176.db2.gz CTSDSCQCDGAVMV-UHFFFAOYSA-N 0 0 337.424 1.022 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCCCO[C@@H]1CCOC1)C(C)C ZINC000150813062 441956292 /nfs/dbraw/zinc/95/62/92/441956292.db2.gz GTYKYDOYHJJSPU-ZBFHGGJFSA-N 0 0 328.453 1.485 10 0 EDAERN CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCCN(C(C)C)C2=O)ncn1 ZINC000175016480 441995162 /nfs/dbraw/zinc/99/51/62/441995162.db2.gz ZRGNHHPVBQAQBE-HUUCEWRRSA-N 0 0 346.479 1.476 10 0 EDAERN COc1ccccc1CCNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175311899 442039592 /nfs/dbraw/zinc/03/95/92/442039592.db2.gz FYZRFXHDGDAFPZ-OAHLLOKOSA-N 0 0 345.403 1.447 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCCNc3ccccn3)CCO2)[nH]1 ZINC000175393478 442055268 /nfs/dbraw/zinc/05/52/68/442055268.db2.gz SHMLDSFGPUIGCB-CYBMUJFWSA-N 0 0 345.407 1.093 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCOCCC(C)C)CCO2)[nH]1 ZINC000175457913 442066769 /nfs/dbraw/zinc/06/67/69/442066769.db2.gz YCZAKTBNLJVOPZ-CYBMUJFWSA-N 0 0 325.413 1.259 10 0 EDAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC(Cn3cccn3)CC1)CS2 ZINC000126278557 442095300 /nfs/dbraw/zinc/09/53/00/442095300.db2.gz RNGDQEATIPWQFW-PBHICJAKSA-N 0 0 348.472 1.576 10 0 EDAERN CC(C)N(CCS(C)(=O)=O)C[C@H](O)COCc1ccccc1 ZINC000120433946 442071770 /nfs/dbraw/zinc/07/17/70/442071770.db2.gz RWBFQUPWIJDZGW-INIZCTEOSA-N 0 0 329.462 1.319 10 0 EDAERN CCc1nc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cs1 ZINC000175769910 442119546 /nfs/dbraw/zinc/11/95/46/442119546.db2.gz PVALUMKSOXDTRA-JSGCOSHPSA-N 0 0 338.477 1.568 10 0 EDAERN Cc1nnc([C@H]2CN(c3cnc4cc(F)c(F)cc4n3)CCO2)[nH]1 ZINC000175777696 442120335 /nfs/dbraw/zinc/12/03/35/442120335.db2.gz BTIRWPSNMPRUQM-CYBMUJFWSA-N 0 0 332.314 1.912 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC(C2OCCO2)CC1 ZINC000175869387 442137276 /nfs/dbraw/zinc/13/72/76/442137276.db2.gz YOPONKXIZYHUMZ-ZDUSSCGKSA-N 0 0 335.408 1.216 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C1CCCC1 ZINC000175872879 442137875 /nfs/dbraw/zinc/13/78/75/442137875.db2.gz JLRACFHJQTVZDD-NSHDSACASA-N 0 0 328.376 1.296 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ncccc1OC(C)C)CC2 ZINC000176056804 442168909 /nfs/dbraw/zinc/16/89/09/442168909.db2.gz MASODVGZMJCXAO-GFCCVEGCSA-N 0 0 329.404 1.768 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ncccc3OC(C)C)CCO2)[nH]1 ZINC000176071745 442170913 /nfs/dbraw/zinc/17/09/13/442170913.db2.gz KXUPLNFVIJZXGV-ZDUSSCGKSA-N 0 0 331.376 1.509 10 0 EDAERN O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176281551 442204374 /nfs/dbraw/zinc/20/43/74/442204374.db2.gz MWWNQUIHDBYUDB-AWEZNQCLSA-N 0 0 330.363 1.637 10 0 EDAERN CCCc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000176103545 442176192 /nfs/dbraw/zinc/17/61/92/442176192.db2.gz HJCKRAVZXGPVBI-CQSZACIVSA-N 0 0 327.388 1.820 10 0 EDAERN CC(C)OCCCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000152266143 442190807 /nfs/dbraw/zinc/19/08/07/442190807.db2.gz OXJUUCOAEJZQDJ-HOCLYGCPSA-N 0 0 340.464 1.724 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000176213830 442192141 /nfs/dbraw/zinc/19/21/41/442192141.db2.gz LJYIBOCKVLELFO-MRXNPFEDSA-N 0 0 327.384 1.306 10 0 EDAERN COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccccc1 ZINC000127350297 442195509 /nfs/dbraw/zinc/19/55/09/442195509.db2.gz MHACDJUCKHNHAH-UKPHBRMFSA-N 0 0 334.416 1.110 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cc[nH]c(=O)c1 ZINC000152316903 442196564 /nfs/dbraw/zinc/19/65/64/442196564.db2.gz ODNPRNWJJOVIJR-AWEZNQCLSA-N 0 0 347.440 1.582 10 0 EDAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)NCC1CCCCC1 ZINC000126902609 442151917 /nfs/dbraw/zinc/15/19/17/442151917.db2.gz QQRARDPFXJREQQ-KBPBESRZSA-N 0 0 330.494 1.580 10 0 EDAERN O=C(NCc1nncn1-c1ccccc1)N[C@H]1CCCC[C@H]1CO ZINC000175957056 442153096 /nfs/dbraw/zinc/15/30/96/442153096.db2.gz PRBNMMRMOINNSV-ZFWWWQNUSA-N 0 0 329.404 1.618 10 0 EDAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]2CO)c1 ZINC000120935011 442153798 /nfs/dbraw/zinc/15/37/98/442153798.db2.gz HBIYIXDEZJLPFG-JTQLQIEISA-N 0 0 341.205 1.679 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H](CC)COC)CC2)n1 ZINC000163249454 442154350 /nfs/dbraw/zinc/15/43/50/442154350.db2.gz VMYFPQMZSGESGV-STQMWFEESA-N 0 0 339.440 1.445 10 0 EDAERN Cn1cc(N2CCC[C@H](N3CC[C@H](Oc4cccnc4)C3)C2=O)cn1 ZINC000152399470 442208272 /nfs/dbraw/zinc/20/82/72/442208272.db2.gz MQCWGTTXKBWWGM-IRXDYDNUSA-N 0 0 341.415 1.464 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(OC)c1 ZINC000152449748 442214410 /nfs/dbraw/zinc/21/44/10/442214410.db2.gz IYPFKKZZNNLTGI-CQSZACIVSA-N 0 0 345.403 1.767 10 0 EDAERN Cc1nc2ccccc2n1CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000176363904 442214619 /nfs/dbraw/zinc/21/46/19/442214619.db2.gz KFWRNPYEBMXJSU-AWEZNQCLSA-N 0 0 339.403 1.771 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c(CC)nn(C)c1Cl)CC2 ZINC000152494173 442219524 /nfs/dbraw/zinc/21/95/24/442219524.db2.gz UEVHWERTUKIMEH-SECBINFHSA-N 0 0 336.827 1.535 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)CC1(O)CCCC1)CC2 ZINC000127701676 442221020 /nfs/dbraw/zinc/22/10/20/442221020.db2.gz XCQWYIWYOYSEBI-CYBMUJFWSA-N 0 0 335.452 1.663 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@H](C)N1CCSCC1)C2 ZINC000152537231 442223530 /nfs/dbraw/zinc/22/35/30/442223530.db2.gz CVRVFQNDLUTBAQ-ZDUSSCGKSA-N 0 0 336.505 1.866 10 0 EDAERN Cc1cc(C(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)[nH]n1 ZINC000176544647 442232866 /nfs/dbraw/zinc/23/28/66/442232866.db2.gz PFUNJSRWODZKLI-CQSZACIVSA-N 0 0 334.445 1.925 10 0 EDAERN Cc1cccc(OC[C@H](O)CNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176604365 442239437 /nfs/dbraw/zinc/23/94/37/442239437.db2.gz SUAAWOXKNOYYSU-HIFRSBDPSA-N 0 0 345.403 1.161 10 0 EDAERN CS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)o1 ZINC000176647015 442243481 /nfs/dbraw/zinc/24/34/81/442243481.db2.gz FLBHEQVBIQXJNO-GFCCVEGCSA-N 0 0 338.385 1.899 10 0 EDAERN COCCCNC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176924771 442274236 /nfs/dbraw/zinc/27/42/36/442274236.db2.gz LQZJBHUYWHMJHA-AWEZNQCLSA-N 0 0 341.477 1.799 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCc3c2cccc3Cl)C1 ZINC000128619674 442278081 /nfs/dbraw/zinc/27/80/81/442278081.db2.gz VEGOCHQFXBGODZ-LBPRGKRZSA-N 0 0 349.818 1.356 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NC2CCC3(CC2)OCCO3)cn1 ZINC000170891257 442284080 /nfs/dbraw/zinc/28/40/80/442284080.db2.gz HYEYOCSWHSYPID-OAHLLOKOSA-N 0 0 334.420 1.952 10 0 EDAERN C[C@@H](NC(=O)NC[C@H](O)C1CCCCC1)c1nnc2n1CCCC2 ZINC000153521657 442287618 /nfs/dbraw/zinc/28/76/18/442287618.db2.gz KTOSRWJIPXTRQS-OCCSQVGLSA-N 0 0 335.452 1.916 10 0 EDAERN Nc1ccc(F)c(NC(=O)CCN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000177057546 442291766 /nfs/dbraw/zinc/29/17/66/442291766.db2.gz USWBNSINWOYLLQ-AWEZNQCLSA-N 0 0 347.394 1.334 10 0 EDAERN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)C(N)=O ZINC000170960972 442294915 /nfs/dbraw/zinc/29/49/15/442294915.db2.gz HOEKKMBCSUJVCH-QMMMGPOBSA-N 0 0 326.205 1.177 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(OCC(N)=O)cc1 ZINC000177153595 442305856 /nfs/dbraw/zinc/30/58/56/442305856.db2.gz PVZIBIIUSROXQP-HNNXBMFYSA-N 0 0 342.399 1.360 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000177138061 442303394 /nfs/dbraw/zinc/30/33/94/442303394.db2.gz MSYJJICSFGQXNF-LLVKDONJSA-N 0 0 338.791 1.999 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cc3ccc(-n4ccnc4)nc3)CCO2)c1 ZINC000177140855 442303694 /nfs/dbraw/zinc/30/36/94/442303694.db2.gz ZEAGFTIECAMZQS-KRWDZBQOSA-N 0 0 338.415 1.673 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000153080284 442260276 /nfs/dbraw/zinc/26/02/76/442260276.db2.gz NENAKRBAKXDKOX-HOCLYGCPSA-N 0 0 330.363 1.358 10 0 EDAERN CCCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCn2ncnc21 ZINC000177526706 442353682 /nfs/dbraw/zinc/35/36/82/442353682.db2.gz SCAVZPHNFOINFJ-ZDUSSCGKSA-N 0 0 348.428 1.727 10 0 EDAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)N[C@H]1CCCn2ncnc21 ZINC000177360756 442332001 /nfs/dbraw/zinc/33/20/01/442332001.db2.gz PJHWQCBEWXLYHZ-KBPBESRZSA-N 0 0 340.387 1.218 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c(C)c1 ZINC000177386705 442334646 /nfs/dbraw/zinc/33/46/46/442334646.db2.gz CFLOABNNDKHASN-AWEZNQCLSA-N 0 0 331.416 1.639 10 0 EDAERN CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@H]1CCCn2ncnc21 ZINC000177530885 442354378 /nfs/dbraw/zinc/35/43/78/442354378.db2.gz IHZIBSFBCMXBSH-NSHDSACASA-N 0 0 337.424 1.923 10 0 EDAERN Cn1cc(C[N@@H+]2CCCN(CCNC(=O)OC(C)(C)C)CC2)cn1 ZINC000177502787 442349949 /nfs/dbraw/zinc/34/99/49/442349949.db2.gz YISTVVDQHKUVEZ-UHFFFAOYSA-N 0 0 337.468 1.453 10 0 EDAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCN2CCCC[C@@H]2C1 ZINC000171476798 442351731 /nfs/dbraw/zinc/35/17/31/442351731.db2.gz JYZCIESOMYVUGA-CYBMUJFWSA-N 0 0 346.822 1.626 10 0 EDAERN COc1ccc(CCNC(=O)NC[C@@H](C)N2CCOCC2)cc1F ZINC000171100149 442311626 /nfs/dbraw/zinc/31/16/26/442311626.db2.gz ZQQXDVGUVUUHEE-CYBMUJFWSA-N 0 0 339.411 1.397 10 0 EDAERN O=C(Nc1cccc(C(F)F)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633979 442364759 /nfs/dbraw/zinc/36/47/59/442364759.db2.gz UCPMCZXBBDGUTM-NSHDSACASA-N 0 0 335.314 1.285 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c(Cl)c1 ZINC000177631649 442364997 /nfs/dbraw/zinc/36/49/97/442364997.db2.gz WWGSZETZKIOZGP-SNVBAGLBSA-N 0 0 333.779 1.310 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1F)CC2 ZINC000177639209 442365596 /nfs/dbraw/zinc/36/55/96/442365596.db2.gz RRWMSRXEYDBSGS-VIFPVBQESA-N 0 0 349.341 1.188 10 0 EDAERN C[C@@H](NC(=O)CC[C@@H]1CCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000177637282 442365695 /nfs/dbraw/zinc/36/56/95/442365695.db2.gz ZTTYLUAIMDCQFI-VXGBXAGGSA-N 0 0 326.418 1.328 10 0 EDAERN C[C@@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000177727432 442376769 /nfs/dbraw/zinc/37/67/69/442376769.db2.gz HKUCDHVRLPLUFS-LLVKDONJSA-N 0 0 345.490 1.875 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccccc2N(C)C)C[C@@H]1N1CCOCC1 ZINC000177733147 442376956 /nfs/dbraw/zinc/37/69/56/442376956.db2.gz ABOTWXSNIGUASJ-PBHICJAKSA-N 0 0 332.448 1.937 10 0 EDAERN Cc1sc(=O)n(CCC(=O)N2CCC[C@@H]2Cn2ccnc2)c1C ZINC000177741570 442378361 /nfs/dbraw/zinc/37/83/61/442378361.db2.gz LSMCNIGPSDYFJH-CQSZACIVSA-N 0 0 334.445 1.804 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)N1CCC(c2cc[nH]n2)CC1 ZINC000131940775 442383944 /nfs/dbraw/zinc/38/39/44/442383944.db2.gz JNZBLOFIKFEZGJ-UHFFFAOYSA-N 0 0 348.353 1.824 10 0 EDAERN COc1ccc(C(=O)N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)cc1 ZINC000155397269 442395058 /nfs/dbraw/zinc/39/50/58/442395058.db2.gz PGDQSHYSQSPPAQ-MRXNPFEDSA-N 0 0 334.416 1.387 10 0 EDAERN CCNC(=O)c1ccc(N[C@H]2CCc3nnc(C(C)C)n3C2)nc1 ZINC000171986235 442396035 /nfs/dbraw/zinc/39/60/35/442396035.db2.gz FXEMTSZSZHSJFN-ZDUSSCGKSA-N 0 0 328.420 1.973 10 0 EDAERN Cc1noc(CCNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000171995422 442397097 /nfs/dbraw/zinc/39/70/97/442397097.db2.gz IACUPMCZKLVNJB-WMLDXEAASA-N 0 0 342.399 1.646 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCOc1ccc(F)cc1 ZINC000155435971 442398386 /nfs/dbraw/zinc/39/83/86/442398386.db2.gz ULFSAYVMJGDOPT-AWEZNQCLSA-N 0 0 348.378 1.984 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cnccc3C)C2)no1 ZINC000177592168 442360713 /nfs/dbraw/zinc/36/07/13/442360713.db2.gz CGLWCTBLDLDRAG-ZDUSSCGKSA-N 0 0 343.387 1.501 10 0 EDAERN CC(C)OCCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172124214 442411884 /nfs/dbraw/zinc/41/18/84/442411884.db2.gz XPSXDTXWGFWJOI-UHFFFAOYSA-N 0 0 337.468 1.453 10 0 EDAERN C[C@H](NC(=O)NCCc1ccccc1O)c1nnc2n1CCCC2 ZINC000178197034 442415002 /nfs/dbraw/zinc/41/50/02/442415002.db2.gz JRHRNPMEHBXWIS-LBPRGKRZSA-N 0 0 329.404 1.923 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000172219065 442425070 /nfs/dbraw/zinc/42/50/70/442425070.db2.gz GKUIRWKAYFKSGY-PSLXWICFSA-N 0 0 338.473 1.607 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)C(C)C ZINC000178400415 442430239 /nfs/dbraw/zinc/43/02/39/442430239.db2.gz KOFXEYMETORIMN-LSDHHAIUSA-N 0 0 337.395 1.679 10 0 EDAERN O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1CCc2ncnn2C1 ZINC000133757601 442432849 /nfs/dbraw/zinc/43/28/49/442432849.db2.gz IALGNYGCUBYCCC-NSHDSACASA-N 0 0 346.460 1.470 10 0 EDAERN CC(=O)NC[C@H]1CN(C(=O)N[C@@H]2CCCc3ccccc32)CCO1 ZINC000172266681 442433101 /nfs/dbraw/zinc/43/31/01/442433101.db2.gz OBFGKJUHSPCKBO-DOTOQJQBSA-N 0 0 331.416 1.611 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1c(C)nc3ccccc31)CC2 ZINC000172255840 442431067 /nfs/dbraw/zinc/43/10/67/442431067.db2.gz JQUIFQZDVSPNQF-CYBMUJFWSA-N 0 0 338.415 1.630 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)C(C)C ZINC000178413482 442431431 /nfs/dbraw/zinc/43/14/31/442431431.db2.gz GPPPSIKCUQMMBW-DGCLKSJQSA-N 0 0 325.434 1.602 10 0 EDAERN Cc1cccc([C@H](CNC(=O)C[C@@H](O)C(C)C)N2CCOCC2)c1 ZINC000155900395 442434884 /nfs/dbraw/zinc/43/48/84/442434884.db2.gz BNVADQOYGSBGKM-ZWKOTPCHSA-N 0 0 334.460 1.892 10 0 EDAERN COC(=O)c1cccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000134088761 442450042 /nfs/dbraw/zinc/45/00/42/442450042.db2.gz WJEPIQIOMUOYAY-AWEZNQCLSA-N 0 0 342.399 1.933 10 0 EDAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000172395908 442454553 /nfs/dbraw/zinc/45/45/53/442454553.db2.gz MPBBRBFKDCEUCN-NSHDSACASA-N 0 0 326.360 1.000 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000186276649 442503108 /nfs/dbraw/zinc/50/31/08/442503108.db2.gz HVCKZLVVSISORN-JSGCOSHPSA-N 0 0 348.428 1.138 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCc1c(C)nc2cc(C)nn2c1C)C(C)C ZINC000178865966 442507790 /nfs/dbraw/zinc/50/77/90/442507790.db2.gz ASNUTSSEKVURGA-QGZVFWFLSA-N 0 0 345.447 1.474 10 0 EDAERN O=C(c1n[nH]c2c1CCCCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000191595334 442472120 /nfs/dbraw/zinc/47/21/20/442472120.db2.gz BRYCPHABQSZTID-CYBMUJFWSA-N 0 0 329.404 1.416 10 0 EDAERN C[C@H](CNC(=O)NCC[C@](C)(O)c1ccccc1)N1CCOCC1 ZINC000186164756 442475238 /nfs/dbraw/zinc/47/52/38/442475238.db2.gz NEMLOJHWYDGYOR-QAPCUYQASA-N 0 0 335.448 1.304 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000191618769 442477569 /nfs/dbraw/zinc/47/75/69/442477569.db2.gz OCBVNCUMSDKZLD-IAQYHMDHSA-N 0 0 338.429 1.881 10 0 EDAERN COC[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](C)COC ZINC000179634091 442482503 /nfs/dbraw/zinc/48/25/03/442482503.db2.gz PKPBRXLTIVVCET-TUVASFSCSA-N 0 0 328.453 1.200 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000191645612 442482758 /nfs/dbraw/zinc/48/27/58/442482758.db2.gz UEFVVSXJNYKVCR-MNOVXSKESA-N 0 0 326.343 1.626 10 0 EDAERN CCc1[nH]c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)c1C(=O)OC ZINC000172754436 442534891 /nfs/dbraw/zinc/53/48/91/442534891.db2.gz YXSYYDHUPSJIPV-CYBMUJFWSA-N 0 0 349.431 1.219 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C12CCOCC2 ZINC000186452689 442537913 /nfs/dbraw/zinc/53/79/13/442537913.db2.gz MGJDCZZXTFBBGK-LSDHHAIUSA-N 0 0 333.432 1.993 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC000157133539 442552844 /nfs/dbraw/zinc/55/28/44/442552844.db2.gz KFICJJRDSCHAOF-ZDUSSCGKSA-N 0 0 344.419 1.262 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cncc(-c3cccc(C)c3)c2)C1 ZINC000186320890 442511448 /nfs/dbraw/zinc/51/14/48/442511448.db2.gz DRPGSQGAYQHSHQ-UHFFFAOYSA-N 0 0 339.395 1.644 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2ccc(Br)cn2)C1 ZINC000134690064 442512097 /nfs/dbraw/zinc/51/20/97/442512097.db2.gz RUHUZRPCCLSLGG-NSHDSACASA-N 0 0 328.210 1.295 10 0 EDAERN CN(C)c1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c2ccccc2n1 ZINC000186333231 442514005 /nfs/dbraw/zinc/51/40/05/442514005.db2.gz QSVGVIQXHYWSEX-GFCCVEGCSA-N 0 0 336.399 1.637 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000172960118 442573878 /nfs/dbraw/zinc/57/38/78/442573878.db2.gz ZRPAYLHVPWXROS-LBPRGKRZSA-N 0 0 329.400 1.941 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc4c(c3)N(C)CC4)CCO2)[nH]1 ZINC000180299972 442576732 /nfs/dbraw/zinc/57/67/32/442576732.db2.gz BQSDHZOBNAVOOF-OAHLLOKOSA-N 0 0 342.403 1.711 10 0 EDAERN O=C(CCOCC(F)(F)F)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135304989 442577944 /nfs/dbraw/zinc/57/79/44/442577944.db2.gz NFSCEYZPRSUGTI-NSHDSACASA-N 0 0 332.326 1.531 10 0 EDAERN C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135308178 442577982 /nfs/dbraw/zinc/57/79/82/442577982.db2.gz RDPGYIYXOGAKHA-QWRGUYRKSA-N 0 0 347.444 1.672 10 0 EDAERN CN(Cc1ccc(Cl)c(F)c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000135341309 442583457 /nfs/dbraw/zinc/58/34/57/442583457.db2.gz CJMCKKPDRSOHBK-GFCCVEGCSA-N 0 0 329.803 1.951 10 0 EDAERN O=C(c1ccncc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000157449429 442585823 /nfs/dbraw/zinc/58/58/23/442585823.db2.gz DQONQGKHUMAALP-LLVKDONJSA-N 0 0 340.221 1.391 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000135396823 442590786 /nfs/dbraw/zinc/59/07/86/442590786.db2.gz LLBIVIGSVZACCJ-CYBMUJFWSA-N 0 0 328.420 1.847 10 0 EDAERN Cc1ccn2ncc(C(=O)N[C@@H](C)c3nnc4n3CCCC4)c2n1 ZINC000135417207 442593778 /nfs/dbraw/zinc/59/37/78/442593778.db2.gz YYLNPVOVQHKPND-NSHDSACASA-N 0 0 325.376 1.457 10 0 EDAERN C[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1nnc2n1CCCC2 ZINC000135429698 442595949 /nfs/dbraw/zinc/59/59/49/442595949.db2.gz QHAMAENCBLCADL-LLVKDONJSA-N 0 0 347.444 1.673 10 0 EDAERN Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CCCC[C@H]2CO)CC1 ZINC000179216580 442599177 /nfs/dbraw/zinc/59/91/77/442599177.db2.gz CGTNLBGDYLAPCV-JKSUJKDBSA-N 0 0 334.464 1.299 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000180429646 442601266 /nfs/dbraw/zinc/60/12/66/442601266.db2.gz YTEFSVKUKFIGLE-CQSZACIVSA-N 0 0 341.415 1.616 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000180451056 442604206 /nfs/dbraw/zinc/60/42/06/442604206.db2.gz TVEQPSISLUOOQN-SNVBAGLBSA-N 0 0 330.816 1.803 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)C(C)(Cl)Cl)ncn1 ZINC000180485974 442609641 /nfs/dbraw/zinc/60/96/41/442609641.db2.gz DYSPTZXWKHCRMQ-VIFPVBQESA-N 0 0 332.235 1.797 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cn(Cc2cccc(F)c2)nn1 ZINC000179251400 442605622 /nfs/dbraw/zinc/60/56/22/442605622.db2.gz HFJDZDDFAMUBRM-UKRRQHHQSA-N 0 0 332.379 1.746 10 0 EDAERN CCC1(CC)CN(CN2CCO[C@@H](Cn3cc(C)cn3)C2)C(=O)O1 ZINC000180244523 442565296 /nfs/dbraw/zinc/56/52/96/442565296.db2.gz GBZKBWRGZRNKFK-OAHLLOKOSA-N 0 0 336.436 1.861 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@H]1CCO)CC2 ZINC000180621016 442636270 /nfs/dbraw/zinc/63/62/70/442636270.db2.gz SPUIPNUWQHNELC-KBPBESRZSA-N 0 0 335.452 1.663 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)C1 ZINC000158060001 442642154 /nfs/dbraw/zinc/64/21/54/442642154.db2.gz UTXXEOWOXNBMSX-OCCSQVGLSA-N 0 0 335.452 1.739 10 0 EDAERN C[C@@H](O)CCNC(=O)CC1(CC(=O)NCC[C@H](C)O)CCCC1 ZINC000136031617 442647307 /nfs/dbraw/zinc/64/73/07/442647307.db2.gz BHJFYFWPSSSFAF-OKILXGFUSA-N 0 0 328.453 1.101 10 0 EDAERN COC(=O)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc2ccccc2c1 ZINC000180561085 442622328 /nfs/dbraw/zinc/62/23/28/442622328.db2.gz HOMQXHSASMKOMG-ZBFHGGJFSA-N 0 0 326.352 1.306 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)C(F)(F)C1(O)CCC1 ZINC000179336608 442624605 /nfs/dbraw/zinc/62/46/05/442624605.db2.gz QKVTUESWQOPASO-LLVKDONJSA-N 0 0 345.367 1.572 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3)C2)n1 ZINC000157894291 442625540 /nfs/dbraw/zinc/62/55/40/442625540.db2.gz XYOHDXKKQZUJNO-NSHDSACASA-N 0 0 333.417 1.530 10 0 EDAERN O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@H](Oc2cccnc2)C1 ZINC000135733743 442629535 /nfs/dbraw/zinc/62/95/35/442629535.db2.gz FOLMWIMICPGBSO-ZDUSSCGKSA-N 0 0 336.351 1.612 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC[C@@]13CCOC3=O)CC2 ZINC000187782764 442692062 /nfs/dbraw/zinc/69/20/62/442692062.db2.gz AKHXQACRZQBHMW-SJCJKPOMSA-N 0 0 347.419 1.207 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCC1(O)CCCC1 ZINC000187953426 442699897 /nfs/dbraw/zinc/69/98/97/442699897.db2.gz OPNFFZSXOGCFKN-NWDGAFQWSA-N 0 0 330.400 1.755 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CCCc4cccnc43)CCO2)c1 ZINC000192560922 442662475 /nfs/dbraw/zinc/66/24/75/442662475.db2.gz FRLUXVPLKPHCAN-DLBZAZTESA-N 0 0 340.427 1.934 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2ncc(C)s2)CC1 ZINC000181927203 442722098 /nfs/dbraw/zinc/72/20/98/442722098.db2.gz VOKUFHKFKUYXGA-QWHCGFSZSA-N 0 0 326.466 1.611 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)/C=C/c1cncc(O)c1)CC2 ZINC000181951688 442723270 /nfs/dbraw/zinc/72/32/70/442723270.db2.gz VKJOXBSTBIZCIT-VUUYWXRKSA-N 0 0 327.388 1.647 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000182047734 442731419 /nfs/dbraw/zinc/73/14/19/442731419.db2.gz ILUBWISBNGPQRA-ZOBUZTSGSA-N 0 0 347.459 1.649 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2csnc2C)ncn1 ZINC000182085658 442734450 /nfs/dbraw/zinc/73/44/50/442734450.db2.gz SICQNRAISWAICE-NSHDSACASA-N 0 0 332.433 1.682 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000193384412 442738052 /nfs/dbraw/zinc/73/80/52/442738052.db2.gz QDFVYCDHEYZCMY-CHWSQXEVSA-N 0 0 330.306 1.712 10 0 EDAERN C[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)c2)CCCN1C(=O)OC(C)(C)C ZINC000188319919 442738396 /nfs/dbraw/zinc/73/83/96/442738396.db2.gz NGBGEIZHWDFYMJ-OCCSQVGLSA-N 0 0 349.431 1.903 10 0 EDAERN COc1cc(NC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)ncn1 ZINC000182207427 442745778 /nfs/dbraw/zinc/74/57/78/442745778.db2.gz DXTNDKATFOOEQH-CYBMUJFWSA-N 0 0 345.407 1.638 10 0 EDAERN O=C(NC1CN(C(=O)c2cc3c(c(Cl)c2)OCO3)C1)C1CCC1 ZINC000188467914 442753405 /nfs/dbraw/zinc/75/34/05/442753405.db2.gz ICOJQIKNXPGEIK-UHFFFAOYSA-N 0 0 336.775 1.809 10 0 EDAERN COc1ccc2[nH]cc(CC(=O)N3CC(NC(=O)C4CCC4)C3)c2c1 ZINC000188472358 442753726 /nfs/dbraw/zinc/75/37/26/442753726.db2.gz CYCZFPWQDHNPSU-UHFFFAOYSA-N 0 0 341.411 1.846 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000188082265 442709060 /nfs/dbraw/zinc/70/90/60/442709060.db2.gz JOLRNEZCZIKUFC-QPUJVOFHSA-N 0 0 331.199 1.764 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@@]3(CCOC3)C1)CC2 ZINC000181742127 442714129 /nfs/dbraw/zinc/71/41/29/442714129.db2.gz MNVZXZHNFUKCEM-CXAGYDPISA-N 0 0 333.436 1.538 10 0 EDAERN Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(OCC(N)=O)cc2)o1 ZINC000182587607 442791176 /nfs/dbraw/zinc/79/11/76/442791176.db2.gz MIEJGPPVGNGFJB-CYBMUJFWSA-N 0 0 345.399 1.419 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000193825402 442794383 /nfs/dbraw/zinc/79/43/83/442794383.db2.gz DIKHFWZEVOAJPF-XFHKCVFHSA-N 0 0 330.428 1.798 10 0 EDAERN CCCn1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000182615550 442795148 /nfs/dbraw/zinc/79/51/48/442795148.db2.gz HYJXQSWCGRVRIZ-LLVKDONJSA-N 0 0 336.417 1.432 10 0 EDAERN CCOC(=O)[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc(Cl)cc1 ZINC000193863658 442801631 /nfs/dbraw/zinc/80/16/31/442801631.db2.gz AMUJHWNCTRRNRR-GXFFZTMASA-N 0 0 336.779 1.913 10 0 EDAERN COCCOc1cccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188538821 442761243 /nfs/dbraw/zinc/76/12/43/442761243.db2.gz FRHQXADBOHGNMA-UHFFFAOYSA-N 0 0 332.400 1.453 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(CC(C)C)C(=O)C1)C(C)C ZINC000188648101 442778461 /nfs/dbraw/zinc/77/84/61/442778461.db2.gz QJNARIYXJXFZIX-KRWDZBQOSA-N 0 0 339.480 1.500 10 0 EDAERN C[C@H]1CN(c2cc(N3CCC[C@@H](C)C3)ncn2)C[C@@H]1N1CCOCC1 ZINC000246401862 442778654 /nfs/dbraw/zinc/77/86/54/442778654.db2.gz DKJKHUMBBIVBCY-IKGGRYGDSA-N 0 0 345.491 1.870 10 0 EDAERN O=S(=O)(N1C[C@H](CO)[C@@H](c2ccsc2)C1)N1CCCCCC1 ZINC000188878526 442833059 /nfs/dbraw/zinc/83/30/59/442833059.db2.gz ZTPRGUDDGOXIPT-HUUCEWRRSA-N 0 0 344.502 1.877 10 0 EDAERN C[C@@H](C[S@@](C)=O)NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188770375 442809459 /nfs/dbraw/zinc/80/94/59/442809459.db2.gz SVAQDOQRBFZLQK-ABAZMQGTSA-N 0 0 336.429 1.217 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)CCOC(C)C)CCO2)n1 ZINC000193945892 442816651 /nfs/dbraw/zinc/81/66/51/442816651.db2.gz NUBIIJJJCXFPMW-GFCCVEGCSA-N 0 0 334.463 1.580 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000188840394 442824917 /nfs/dbraw/zinc/82/49/17/442824917.db2.gz KBYXHROWNHQRJH-LLVKDONJSA-N 0 0 332.791 1.876 10 0 EDAERN CCc1cc(=O)[nH]c(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182859100 442836867 /nfs/dbraw/zinc/83/68/67/442836867.db2.gz WYTHRZNZUABYOE-SNVBAGLBSA-N 0 0 336.417 1.243 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000247124770 442837392 /nfs/dbraw/zinc/83/73/92/442837392.db2.gz RXOFHORJZLDYEB-WFASDCNBSA-N 0 0 337.395 1.068 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000188920250 442842076 /nfs/dbraw/zinc/84/20/76/442842076.db2.gz FCUYJCMUTXBQPG-BRWVUGGUSA-N 0 0 334.391 1.765 10 0 EDAERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000247380092 442850730 /nfs/dbraw/zinc/85/07/30/442850730.db2.gz LIZXFRXULZWYKC-QLFBSQMISA-N 0 0 328.478 1.743 10 0 EDAERN COCC(=O)NC1CN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)C1 ZINC000189186500 442893605 /nfs/dbraw/zinc/89/36/05/442893605.db2.gz BLULFXRCDOJDJW-AATRIKPKSA-N 0 0 337.445 1.427 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C)c1F)CC2 ZINC000180682250 318472107 /nfs/dbraw/zinc/47/21/07/318472107.db2.gz HGITWPVLANIUAO-NSHDSACASA-N 0 0 345.378 1.358 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)c(C)s1 ZINC000189197947 442895756 /nfs/dbraw/zinc/89/57/56/442895756.db2.gz HYADIUGVAJXYQE-GXTWGEPZSA-N 0 0 341.458 1.907 10 0 EDAERN CC(C)[C@@H](CNC(=O)CN1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189262625 442907242 /nfs/dbraw/zinc/90/72/42/442907242.db2.gz KDBGZDCJOVHKJW-NVXWUHKLSA-N 0 0 331.460 1.753 10 0 EDAERN CC(C)(C)[C@H](NC(=O)[C@H]1CNC(=O)C1)C(=O)OCc1ccccc1 ZINC000183237762 442908689 /nfs/dbraw/zinc/90/86/89/442908689.db2.gz PLGUJRFPSPJFOL-UKRRQHHQSA-N 0 0 332.400 1.397 10 0 EDAERN Cc1ccn(CC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(=O)c1 ZINC000194514064 442909700 /nfs/dbraw/zinc/90/97/00/442909700.db2.gz UPFDKDGPGKGHBN-ZDUSSCGKSA-N 0 0 329.404 1.003 10 0 EDAERN Cn1cc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cn1 ZINC000183278976 442916300 /nfs/dbraw/zinc/91/63/00/442916300.db2.gz XOEASNOCAPSCPU-UBHSHLNASA-N 0 0 334.420 1.795 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCNC(=O)OC(C)(C)C)C1 ZINC000189340698 442925594 /nfs/dbraw/zinc/92/55/94/442925594.db2.gz DBAACYOGJGERAO-NWDGAFQWSA-N 0 0 326.397 1.665 10 0 EDAERN CC(C)(C)OC(=O)c1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189362832 442929406 /nfs/dbraw/zinc/92/94/06/442929406.db2.gz MJCDZCPJFVCJIQ-UHFFFAOYSA-N 0 0 344.411 1.993 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)n1C ZINC000194643865 442929616 /nfs/dbraw/zinc/92/96/16/442929616.db2.gz XWNFNQNMLZTXKH-SFHVURJKSA-N 0 0 339.399 1.357 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H]1CN(C)CCO1 ZINC000194725514 442943566 /nfs/dbraw/zinc/94/35/66/442943566.db2.gz VNBRYYWSYLFJJM-INIZCTEOSA-N 0 0 328.416 1.550 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NC3C[C@@H](C)O[C@H](C)C3)CCO2)cn1 ZINC000189742437 318566290 /nfs/dbraw/zinc/56/62/90/318566290.db2.gz QBERYAYXDUCJKZ-IOASZLSFSA-N 0 0 336.436 1.942 10 0 EDAERN O=S(=O)(N1C[C@@H](CO)[C@@H](c2ccsc2)C1)N1CCCCCC1 ZINC000249495900 442978326 /nfs/dbraw/zinc/97/83/26/442978326.db2.gz ZTPRGUDDGOXIPT-LSDHHAIUSA-N 0 0 344.502 1.877 10 0 EDAERN COc1ccc2ccccc2c1CNC(=O)N1CC(NC(C)=O)C1 ZINC000189775863 443007784 /nfs/dbraw/zinc/00/77/84/443007784.db2.gz CZJNWKDTRPJUDA-UHFFFAOYSA-N 0 0 327.384 1.878 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)Nc2cn(C)c(=O)cc2C)C12CCOCC2 ZINC000184471906 443025716 /nfs/dbraw/zinc/02/57/16/443025716.db2.gz PQDSIWIFLBHWCP-CABCVRRESA-N 0 0 349.431 1.789 10 0 EDAERN CCSCc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)no1 ZINC000184482291 443027365 /nfs/dbraw/zinc/02/73/65/443027365.db2.gz XFKKAOGDHRMRGF-ZDUSSCGKSA-N 0 0 336.417 1.665 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N(C)Cc1ccc(OC)c(O)c1 ZINC000184498073 443029914 /nfs/dbraw/zinc/02/99/14/443029914.db2.gz FPSLBZNZOQBLJC-HNNXBMFYSA-N 0 0 336.432 1.860 10 0 EDAERN Cc1cccc(NC(=O)NCc2nccc(N3CCOCC3)n2)c1 ZINC000224171506 443097198 /nfs/dbraw/zinc/09/71/98/443097198.db2.gz TYNPCEQVGZDZNE-UHFFFAOYSA-N 0 0 327.388 1.943 10 0 EDAERN COc1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1OC ZINC000224348562 443097893 /nfs/dbraw/zinc/09/78/93/443097893.db2.gz BEIWDMISPSCNSZ-UHFFFAOYSA-N 0 0 345.403 1.878 10 0 EDAERN Cc1cccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 ZINC000224224387 443098198 /nfs/dbraw/zinc/09/81/98/443098198.db2.gz LPLLWFAMTMLXOT-UHFFFAOYSA-N 0 0 326.400 1.860 10 0 EDAERN C[C@@H]1CN(C[C@H](O)COc2ccc3ccccc3c2)C[C@H](CO)O1 ZINC000190151194 443065107 /nfs/dbraw/zinc/06/51/07/443065107.db2.gz ODUDWQDNJLOGEJ-DKSSEZFCSA-N 0 0 331.412 1.661 10 0 EDAERN COc1cc(CN=Nc2ccc3nnc(C)n3n2)cc(OC)c1OC ZINC000254818875 443077290 /nfs/dbraw/zinc/07/72/90/443077290.db2.gz LTCSRJRJYQTUAR-UHFFFAOYSA-N 0 0 342.359 1.905 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCCCOCC3CC3)CCO2)cn1 ZINC000190584679 443142649 /nfs/dbraw/zinc/14/26/49/443142649.db2.gz OOLRZQLIUOWLCL-INIZCTEOSA-N 0 0 336.436 1.803 10 0 EDAERN O=C(CCc1cccc2c1OCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000184936488 443101694 /nfs/dbraw/zinc/10/16/94/443101694.db2.gz BBCUJQJCFAAGDB-OAHLLOKOSA-N 0 0 332.400 1.281 10 0 EDAERN CN1CCO[C@@H](CNc2ccc3nnnn3n2)[C@@H]1c1ccccc1 ZINC000225475495 443105913 /nfs/dbraw/zinc/10/59/13/443105913.db2.gz SBJQHJJPAGYEAZ-BBRMVZONSA-N 0 0 325.376 1.003 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cn1 ZINC000225684950 443118419 /nfs/dbraw/zinc/11/84/19/443118419.db2.gz YPSDWFIDMPUKKK-ZNMIVQPWSA-N 0 0 340.445 1.794 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000185249047 443169340 /nfs/dbraw/zinc/16/93/40/443169340.db2.gz SKYCHNDODWMHMV-UHFFFAOYSA-N 0 0 335.162 1.720 10 0 EDAERN CC[C@H](C)n1ncc(C(=O)N2CC(NC(=O)COC)C2)c1C1CC1 ZINC000185305620 443179937 /nfs/dbraw/zinc/17/99/37/443179937.db2.gz JJWSFHGXIUFTIP-NSHDSACASA-N 0 0 334.420 1.319 10 0 EDAERN CCn1cc([C@@H]2CN(C[C@H](O)COCc3ccco3)CCO2)cn1 ZINC000190777259 443181832 /nfs/dbraw/zinc/18/18/32/443181832.db2.gz BFWCERQMCMKJAP-RDJZCZTQSA-N 0 0 335.404 1.447 10 0 EDAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)N3CCC(C)CC3)CCO2)cn1 ZINC000190787517 443184204 /nfs/dbraw/zinc/18/42/04/443184204.db2.gz DGVKPPGLJKUOOW-DOTOQJQBSA-N 0 0 334.464 1.923 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000190791292 443184449 /nfs/dbraw/zinc/18/44/49/443184449.db2.gz FHLJZJHSBXNDPB-INIZCTEOSA-N 0 0 349.475 1.907 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000185196241 443158767 /nfs/dbraw/zinc/15/87/67/443158767.db2.gz LJNUJPJCOZCMFA-HNNXBMFYSA-N 0 0 341.415 1.993 10 0 EDAERN C[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1cn(C)c2ccccc12 ZINC000185576972 443222065 /nfs/dbraw/zinc/22/20/65/443222065.db2.gz ZQYMZVQVMJMPGY-LSDHHAIUSA-N 0 0 345.443 1.091 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H](C)COC)CC1 ZINC000191018144 443226636 /nfs/dbraw/zinc/22/66/36/443226636.db2.gz LRGYSSBUPSATSS-AWEZNQCLSA-N 0 0 342.480 1.924 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)C[C@@H]1C ZINC000245462422 443229555 /nfs/dbraw/zinc/22/95/55/443229555.db2.gz NTFYSJJDLIUUSQ-RRFJBIMHSA-N 0 0 326.437 1.145 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N(C)CC2(O)CCCC2)C12CCOCC2 ZINC000185677965 443236863 /nfs/dbraw/zinc/23/68/63/443236863.db2.gz ZKMCVNJTKMKWCJ-LSDHHAIUSA-N 0 0 340.464 1.907 10 0 EDAERN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000245696132 443244891 /nfs/dbraw/zinc/24/48/91/443244891.db2.gz RZSBLUDQSXLXKT-ARFHVFGLSA-N 0 0 347.394 1.324 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000245655448 443242213 /nfs/dbraw/zinc/24/22/13/443242213.db2.gz OCEWHENWVYJMFH-KEYYUXOJSA-N 0 0 347.390 1.082 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1 ZINC000185531273 443214242 /nfs/dbraw/zinc/21/42/42/443214242.db2.gz LFGBNTQGHAYDGA-CYBMUJFWSA-N 0 0 338.433 1.059 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1C ZINC000185757974 443251791 /nfs/dbraw/zinc/25/17/91/443251791.db2.gz DLXNQAOIJZWSBI-ZDUSSCGKSA-N 0 0 329.404 1.264 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)Nc3cccnc3OC)CCO2)cn1 ZINC000191400900 443291133 /nfs/dbraw/zinc/29/11/33/443291133.db2.gz UKFYGZJZPRGHMB-CQSZACIVSA-N 0 0 331.376 1.912 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CSCCS2)cn1 ZINC000275397399 443626630 /nfs/dbraw/zinc/62/66/30/443626630.db2.gz RUUWWAJIRCZBSW-RWMBFGLXSA-N 0 0 327.475 1.698 10 0 EDAERN Cn1cnnc1[C@H]1CN(c2nc(C3CC3)nc3c2CCC3)CCO1 ZINC000328644811 444412219 /nfs/dbraw/zinc/41/22/19/444412219.db2.gz ZJOYGMHPGVBUEJ-CQSZACIVSA-N 0 0 326.404 1.549 10 0 EDAERN CSCCC(=O)N1CCC[C@H](N(C)Cc2nccc(N)n2)CC1 ZINC000328652682 444416441 /nfs/dbraw/zinc/41/64/41/444416441.db2.gz WPFPNBDPUCDHQS-ZDUSSCGKSA-N 0 0 337.493 1.625 10 0 EDAERN CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)Cc1cc[nH]n1 ZINC000328618545 444395454 /nfs/dbraw/zinc/39/54/54/444395454.db2.gz DVGMLKOAOIBQTJ-SNVBAGLBSA-N 0 0 341.337 1.889 10 0 EDAERN CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)[C@@H](C)CSC)cn1 ZINC000328620908 444397298 /nfs/dbraw/zinc/39/72/98/444397298.db2.gz HKEKPATYEHMGLA-WCQYABFASA-N 0 0 345.490 1.200 10 0 EDAERN C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173621 450433803 /nfs/dbraw/zinc/43/38/03/450433803.db2.gz XSOPEXMXPSLCBT-BXUZGUMPSA-N 0 0 345.403 1.602 10 0 EDAERN COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](CO)C3)CC3(CCC3)C2)cc1 ZINC000575603392 447866179 /nfs/dbraw/zinc/86/61/79/447866179.db2.gz DWFNTSUSXUMATJ-WMLDXEAASA-N 0 0 345.439 1.709 10 0 EDAERN COc1ccc(S(N)(=O)=O)c(I)c1F ZINC000575705169 447881458 /nfs/dbraw/zinc/88/14/58/447881458.db2.gz JFRKHUUPRRKKHC-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN CSc1c(F)cc(S(N)(=O)=O)cc1I ZINC000575706397 447882151 /nfs/dbraw/zinc/88/21/51/447882151.db2.gz ZIRPCCZUVUJBQY-UHFFFAOYSA-N 0 0 347.174 1.800 10 0 EDAERN CCOC(=O)Cc1cc(N)c(OC)cc1I ZINC000575725597 447883321 /nfs/dbraw/zinc/88/33/21/447883321.db2.gz SJLBDNRHRZVAIX-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN Cc1ccc(CCC(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c(C)c1 ZINC000583617805 448444652 /nfs/dbraw/zinc/44/46/52/448444652.db2.gz TWZANWBJPPWLMU-SFHVURJKSA-N 0 0 328.416 1.864 10 0 EDAERN COc1cc(Cl)ccc1C(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617778 448445282 /nfs/dbraw/zinc/44/52/82/448445282.db2.gz QZWKPFAFZPVTPD-HNNXBMFYSA-N 0 0 336.779 1.591 10 0 EDAERN O=C(CCOc1ccccc1F)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617783 448445740 /nfs/dbraw/zinc/44/57/40/448445740.db2.gz ROPNQRDZUYXPEA-MRXNPFEDSA-N 0 0 334.351 1.223 10 0 EDAERN O=C(CN1CCC[C@](O)(c2cn[nH]n2)C1)N(C1CC1)C1CCCC1 ZINC000583617936 448447093 /nfs/dbraw/zinc/44/70/93/448447093.db2.gz LTVSHMVQLJLWQY-QGZVFWFLSA-N 0 0 333.436 1.022 10 0 EDAERN CCOc1c(F)cccc1C(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618896 448448633 /nfs/dbraw/zinc/44/86/33/448448633.db2.gz BVDXJWXOOXUZBG-INIZCTEOSA-N 0 0 334.351 1.466 10 0 EDAERN Cc1ccc(Cn2nnc(CO)c2I)cc1 ZINC000584613409 448584739 /nfs/dbraw/zinc/58/47/39/448584739.db2.gz IWLSPBHUKVLNKP-UHFFFAOYSA-N 0 0 329.141 1.732 10 0 EDAERN Cc1cn2nc(N[C@@H]3CCN(C(=O)C[C@H]4CCCCO4)C3)ccc2n1 ZINC000578921325 448670111 /nfs/dbraw/zinc/67/01/11/448670111.db2.gz BNDUPZKNNVNTHW-HUUCEWRRSA-N 0 0 343.431 2.010 10 0 EDAERN Nc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)n1 ZINC000616597978 450454684 /nfs/dbraw/zinc/45/46/84/450454684.db2.gz KHVBUUBOEPMQOG-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN CCOC(=O)c1ccc([C@H]2CCCCCN2S(N)(=O)=O)cc1 ZINC000616604475 450455423 /nfs/dbraw/zinc/45/54/23/450455423.db2.gz DIZVXYHEKQXDIK-CQSZACIVSA-N 0 0 326.418 1.984 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616645445 450457575 /nfs/dbraw/zinc/45/75/75/450457575.db2.gz CLBUSELKNQAEQX-OAHLLOKOSA-N 0 0 349.431 1.684 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2ccc(N)nc2)C1 ZINC000616663920 450458578 /nfs/dbraw/zinc/45/85/78/450458578.db2.gz PUYOOZPPGXTDNT-AWEZNQCLSA-N 0 0 336.436 1.604 10 0 EDAERN CS(=O)(=O)N1c2ccccc2NC[C@H]1c1cccc(C(N)=O)c1 ZINC000616686087 450460138 /nfs/dbraw/zinc/46/01/38/450460138.db2.gz IDLVWNVSGAEPMU-HNNXBMFYSA-N 0 0 331.397 1.718 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@@H]1c1ccc2nnccc2c1 ZINC000616681266 450460227 /nfs/dbraw/zinc/46/02/27/450460227.db2.gz YBDQCHXAAPRGBE-KRWDZBQOSA-N 0 0 340.408 1.781 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)C1(c2cccnc2)CCCC1 ZINC000616777308 450482901 /nfs/dbraw/zinc/48/29/01/450482901.db2.gz ZWALTHOOUUXITL-ARFHVFGLSA-N 0 0 326.400 1.581 10 0 EDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Br)ccc1Cl ZINC000629218803 451600471 /nfs/dbraw/zinc/60/04/71/451600471.db2.gz VBLJZKMXRVITGY-QWRGUYRKSA-N 0 0 334.597 1.982 10 0 EDAERN NC(=O)c1cn([C@H]2CCN(c3cc(C(F)(F)F)ccn3)C2)nn1 ZINC000643758781 452593887 /nfs/dbraw/zinc/59/38/87/452593887.db2.gz GULNXYKCEHTDMW-VIFPVBQESA-N 0 0 326.282 1.242 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(C)cc1Br ZINC000664274226 452957254 /nfs/dbraw/zinc/95/72/54/452957254.db2.gz XTVRDDDIQSWBTM-ZJUUUORDSA-N 0 0 335.223 1.376 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000644239931 453181279 /nfs/dbraw/zinc/18/12/79/453181279.db2.gz YHJGPKZIZNIEQS-SFHVURJKSA-N 0 0 344.455 1.841 10 0 EDAERN Cc1nnc2n1C[C@H](C(=O)Nc1cnn(C3CCCC3)c1C)N(C)C2 ZINC000644448155 453469916 /nfs/dbraw/zinc/46/99/16/453469916.db2.gz VDDSZLAPBJPJFS-OAHLLOKOSA-N 0 0 343.435 1.659 10 0 EDAERN Cc1nnc2n1C[C@H](C(=O)N1CCC=C(c3ccco3)C1)N(C)C2 ZINC000644462903 453487784 /nfs/dbraw/zinc/48/77/84/453487784.db2.gz NRCFKPWYEUSTNA-CQSZACIVSA-N 0 0 327.388 1.309 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccnc1 ZINC000657145270 453704443 /nfs/dbraw/zinc/70/44/43/453704443.db2.gz FUEHGGYHWSJRRT-GXTWGEPZSA-N 0 0 336.417 1.354 10 0 EDAERN CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCCO2)cc1 ZINC000074850304 486804391 /nfs/dbraw/zinc/80/43/91/486804391.db2.gz YEDDYSGWRHXMBI-ZDUSSCGKSA-N 0 0 326.418 1.236 10 0 EDAERN Cn1ncnc1CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000076790971 486987918 /nfs/dbraw/zinc/98/79/18/486987918.db2.gz VTPOZRKTUACQAQ-ZDUSSCGKSA-N 0 0 337.330 1.376 10 0 EDAERN Cc1c(N(C)[N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000196269339 485505517 /nfs/dbraw/zinc/50/55/17/485505517.db2.gz KIWYLAWUWRHWRT-UHFFFAOYSA-N 0 0 346.168 1.256 10 0 EDAERN Cn1ncc2cc([C@H]3C(=O)NCCN3C(=O)OC(C)(C)C)ccc21 ZINC000216103137 485715072 /nfs/dbraw/zinc/71/50/72/485715072.db2.gz QBOXPHMZRSZXSD-AWEZNQCLSA-N 0 0 330.388 1.981 10 0 EDAERN CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](C(N)=O)C1 ZINC000202412094 485900205 /nfs/dbraw/zinc/90/02/05/485900205.db2.gz QTZALVSZHPYNBJ-KGLIPLIRSA-N 0 0 334.372 1.452 10 0 EDAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1=O ZINC000135294615 500672872 /nfs/dbraw/zinc/67/28/72/500672872.db2.gz GTRMZCYIOFOSLJ-IHRRRGAJSA-N 0 0 347.463 1.829 10 0 EDAERN C[C@@H]1C[C@H](C)N(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)C1 ZINC000165606253 533814267 /nfs/dbraw/zinc/81/42/67/533814267.db2.gz ODMPSGDTVLHZFU-SFYZADRCSA-N 0 0 334.800 1.997 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@H]1N1CCOCC1 ZINC000173814250 533873594 /nfs/dbraw/zinc/87/35/94/533873594.db2.gz MKQJKMBTQXCIIX-GXFFZTMASA-N 0 0 342.237 1.570 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(OCCCO)cc2)CCS1 ZINC000137511138 533969025 /nfs/dbraw/zinc/96/90/25/533969025.db2.gz VRGCRRGQBXFMLT-LBPRGKRZSA-N 0 0 331.459 1.574 10 0 EDAERN C[C@H]1OCC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000157098671 534124032 /nfs/dbraw/zinc/12/40/32/534124032.db2.gz JZIJKWPVWQKRHR-LDWIPMOCSA-N 0 0 336.772 1.034 10 0 EDAERN C[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nc2ccccc2[nH]1 ZINC000190017124 534210023 /nfs/dbraw/zinc/21/00/23/534210023.db2.gz WGIBPRMTPCUTRG-JTQLQIEISA-N 0 0 327.388 1.544 10 0 EDAERN C[C@H](NC(=O)N1CC(CO)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000189634042 534210185 /nfs/dbraw/zinc/21/01/85/534210185.db2.gz TVOHZCYVBZFZHN-KSSFIOAISA-N 0 0 348.443 1.946 10 0 EDAERN Cc1ccn2ncc(C(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)c2n1 ZINC000187753916 534369728 /nfs/dbraw/zinc/36/97/28/534369728.db2.gz SUICRNPNLIGVCF-ZFWWWQNUSA-N 0 0 342.424 1.947 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)C[C@@H]1N1CCOCC1 ZINC000173836445 534397798 /nfs/dbraw/zinc/39/77/98/534397798.db2.gz FSDNUIWBVQHOBF-CJNGLKHVSA-N 0 0 342.399 1.529 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[C@H]1CCCCO1 ZINC000183574056 534403495 /nfs/dbraw/zinc/40/34/95/534403495.db2.gz RBGFDTJVRBOIAX-CVEARBPZSA-N 0 0 333.432 1.732 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000152860706 534406712 /nfs/dbraw/zinc/40/67/12/534406712.db2.gz YJHIHBFAWNNQAM-XHSDSOJGSA-N 0 0 331.416 1.340 10 0 EDAERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ncnn2C(C)C)C1 ZINC000333080839 534677666 /nfs/dbraw/zinc/67/76/66/534677666.db2.gz XCHWDYJPHPBVAF-CYBMUJFWSA-N 0 0 331.424 1.920 10 0 EDAERN NS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cncc(F)c2)c1 ZINC000165329891 534702360 /nfs/dbraw/zinc/70/23/60/534702360.db2.gz CGUDRKCAIOMWRM-UHFFFAOYSA-N 0 0 329.740 1.774 10 0 EDAERN O=C(Cn1cnc(Cl)c(Br)c1=O)NCC(F)(F)F ZINC000164883708 534758569 /nfs/dbraw/zinc/75/85/69/534758569.db2.gz XCUYPCKZGLJSHA-UHFFFAOYSA-N 0 0 348.506 1.338 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000183934401 534779002 /nfs/dbraw/zinc/77/90/02/534779002.db2.gz IMIJONYMVJLSKX-LLVKDONJSA-N 0 0 344.325 1.487 10 0 EDAERN C[C@@H](NS(=O)(=O)Cc1cccc(C(N)=S)c1)[C@H]1CCCO1 ZINC000038005306 525570831 /nfs/dbraw/zinc/57/08/31/525570831.db2.gz XYOBBRVYPVLHBK-ZWNOBZJWSA-N 0 0 328.459 1.308 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116586639 534890058 /nfs/dbraw/zinc/89/00/58/534890058.db2.gz FKCUDMXYHWQHIJ-CQSZACIVSA-N 0 0 340.383 1.577 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C1 ZINC000190516071 526712261 /nfs/dbraw/zinc/71/22/61/526712261.db2.gz UBJWBEJISDMBDP-GOEBONIOSA-N 0 0 349.818 1.206 10 0 EDAERN CC(=O)Nc1sc(NC(=O)[C@H]2CNC(=O)C2)nc1-c1ccccc1 ZINC000187012242 527106099 /nfs/dbraw/zinc/10/60/99/527106099.db2.gz QXBSLRJRXUNIEB-LLVKDONJSA-N 0 0 344.396 1.843 10 0 EDAERN CC(C)NC(=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000132215391 527721575 /nfs/dbraw/zinc/72/15/75/527721575.db2.gz NFABRKAYSOROOB-AWEZNQCLSA-N 0 0 327.388 1.161 10 0 EDAERN CC(C)NS(=O)(=O)c1ccc(NC2CCS(=O)CC2)cc1 ZINC000158457039 527756792 /nfs/dbraw/zinc/75/67/92/527756792.db2.gz APBSQVWVUGTUHX-UHFFFAOYSA-N 0 0 330.475 1.696 10 0 EDAERN CC1(C)[C@@H](O)C[C@@H]1Nc1ccc(S(N)(=O)=O)cc1Br ZINC000163976595 527840257 /nfs/dbraw/zinc/84/02/57/527840257.db2.gz RUYCZOUEJDYBAH-QWRGUYRKSA-N 0 0 349.250 1.668 10 0 EDAERN CC(C)CCn1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000163399893 527882304 /nfs/dbraw/zinc/88/23/04/527882304.db2.gz WAGAQUKHVABUMZ-HNNXBMFYSA-N 0 0 347.463 1.564 10 0 EDAERN CCN(CC)C(=O)[C@H](C)n1ncc(I)cc1=O ZINC000158601583 528059408 /nfs/dbraw/zinc/05/94/08/528059408.db2.gz LZACPUPYMPEWMX-QMMMGPOBSA-N 0 0 349.172 1.277 10 0 EDAERN CCCNC(=O)[C@@H]1COCCN1c1ccc(N)cc1Br ZINC000159259210 528433522 /nfs/dbraw/zinc/43/35/22/528433522.db2.gz ONRVJGVZYONLHW-ZDUSSCGKSA-N 0 0 342.237 1.763 10 0 EDAERN CCC[C@H]1N[C@H](c2cccs2)N(CCCS(C)(=O)=O)C1=O ZINC000143503576 528440219 /nfs/dbraw/zinc/44/02/19/528440219.db2.gz SOYAIFPRAWLSKM-YPMHNXCESA-N 0 0 330.475 1.782 10 0 EDAERN CCCc1cc(NC(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)n(C)n1 ZINC000179670066 528606019 /nfs/dbraw/zinc/60/60/19/528606019.db2.gz CHGACAXOWHTPDC-GFCCVEGCSA-N 0 0 347.423 1.659 10 0 EDAERN CC(C)Cc1ccc(CC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154155854 528646052 /nfs/dbraw/zinc/64/60/52/528646052.db2.gz YNIRSSLHISNFIX-SFHVURJKSA-N 0 0 334.460 1.237 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000176575512 528703556 /nfs/dbraw/zinc/70/35/56/528703556.db2.gz XACLZKDDPUDWEW-DAOPMYJZSA-N 0 0 341.481 1.588 10 0 EDAERN CCOC(=O)CCN(C)S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164746802 528726234 /nfs/dbraw/zinc/72/62/34/528726234.db2.gz TXCITMMWINPQRS-UHFFFAOYSA-N 0 0 334.825 1.804 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(CCOC)CC1 ZINC000164124934 528808567 /nfs/dbraw/zinc/80/85/67/528808567.db2.gz IIACTZYRMRTYTE-ZDUSSCGKSA-N 0 0 332.466 1.124 10 0 EDAERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000177919107 528822580 /nfs/dbraw/zinc/82/25/80/528822580.db2.gz NPAOHNQTMLNAAL-ZACQAIPSSA-N 0 0 347.459 1.833 10 0 EDAERN CCOC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)C1 ZINC000186050856 528999376 /nfs/dbraw/zinc/99/93/76/528999376.db2.gz JIEOSBRDODWKGA-KGLIPLIRSA-N 0 0 335.408 1.497 10 0 EDAERN CC[C@H](C)NC(=O)[C@H](C)n1ncc(I)cc1=O ZINC000158582530 529176022 /nfs/dbraw/zinc/17/60/22/529176022.db2.gz MHMHFFXUVWWCJJ-YUMQZZPRSA-N 0 0 349.172 1.324 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC(C(=O)NC)C1 ZINC000186171689 529255466 /nfs/dbraw/zinc/25/54/66/529255466.db2.gz VPRWWNBEPGJVSX-WFASDCNBSA-N 0 0 331.416 1.036 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CCN1CCOC ZINC000185601605 529281305 /nfs/dbraw/zinc/28/13/05/529281305.db2.gz FJTNSDRVNYLXRN-NSHDSACASA-N 0 0 346.378 1.204 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CNC(=O)c1cccs1)CC2 ZINC000195405671 535022263 /nfs/dbraw/zinc/02/22/63/535022263.db2.gz BSBZSYGMEZISSI-NSHDSACASA-N 0 0 347.444 1.324 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCCNC(=O)C1CC1)CC2 ZINC000195287625 535027489 /nfs/dbraw/zinc/02/74/89/535027489.db2.gz XCDAHVLTQQONEA-CYBMUJFWSA-N 0 0 333.436 1.139 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)CC2 ZINC000188275018 535027554 /nfs/dbraw/zinc/02/75/54/535027554.db2.gz YAYJDHOQPOTDJF-CYBMUJFWSA-N 0 0 345.378 1.610 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000247174893 535608352 /nfs/dbraw/zinc/60/83/52/535608352.db2.gz NCCKRAUYPIUNBN-IAGOWNOFSA-N 0 0 325.497 1.676 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)[C@H]2CCCCO2)C1 ZINC000263299492 535779297 /nfs/dbraw/zinc/77/92/97/535779297.db2.gz WPWCZBWEHJSBMY-GFJIZPEISA-N 0 0 327.425 1.181 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccco3)CC2)n1 ZINC000188685009 535896287 /nfs/dbraw/zinc/89/62/87/535896287.db2.gz URJBSWRQAILHKL-LLVKDONJSA-N 0 0 340.405 1.293 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@H](C)NC(=O)c3ccoc3)CCO2)cn1 ZINC000191786029 536090366 /nfs/dbraw/zinc/09/03/66/536090366.db2.gz LSIMXZGZPZGAPI-WFASDCNBSA-N 0 0 346.387 1.214 10 0 EDAERN CCCCN(CCO)S(=O)(=O)Cc1ccccc1C(N)=S ZINC000049014516 537708796 /nfs/dbraw/zinc/70/87/96/537708796.db2.gz URUSHLCTPWOZLV-UHFFFAOYSA-N 0 0 330.475 1.245 10 0 EDAERN COc1cc2c(c3oc(=O)c4c(c13)[C@H](O)CC4=O)[C@@H]1C=CO[C@H]1O2 ZINC000014442547 574413398 /nfs/dbraw/zinc/41/33/98/574413398.db2.gz GYNOTJLCULOEIM-KITDARMDSA-N 0 0 328.276 1.767 10 0 endogenous,in-man EDAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)/C=C\c3ccccc3)C2)n1 ZINC000779875283 580500562 /nfs/dbraw/zinc/50/05/62/580500562.db2.gz CUUCQKKSVRFWQZ-XMELGKRDSA-N 0 0 335.385 1.272 10 0 EDAERN O=S(=O)(Cc1cccc(F)c1)[N-]c1ccc([C@H]2CCC[NH2+]2)nn1 ZINC000888076052 590929982 /nfs/dbraw/zinc/92/99/82/590929982.db2.gz SPPHQAAWKGUTGV-CYBMUJFWSA-N 0 0 336.392 1.982 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC000888077516 590933406 /nfs/dbraw/zinc/93/34/06/590933406.db2.gz GFVFSQCSYHZZFT-HUUCEWRRSA-N 0 0 338.371 1.593 10 0 EDAERN CO[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H]1c1cn(C)nn1 ZINC000888078208 590934910 /nfs/dbraw/zinc/93/49/10/590934910.db2.gz YXGYTKBFYGYASK-SWLSCSKDSA-N 0 0 344.419 1.062 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2cccc(Br)n2)C1 ZINC000220196372 591016990 /nfs/dbraw/zinc/01/69/90/591016990.db2.gz OUZXVJIFYOJHCI-SNVBAGLBSA-N 0 0 328.210 1.295 10 0 EDAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ncccc1-n1ncc2ccccc21 ZINC000888092942 591022643 /nfs/dbraw/zinc/02/26/43/591022643.db2.gz ZJSBERUUBZSWNN-TZMCWYRMSA-N 0 0 349.394 1.817 10 0 EDAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)n1C ZINC000888094943 591024938 /nfs/dbraw/zinc/02/49/38/591024938.db2.gz MUZDDJDNTQQANV-ZIAGYGMSSA-N 0 0 345.447 1.297 10 0 EDAERN CN1C(=O)CC[C@@H](c2nc(Cn3ccnn3)no2)[C@@H]1c1ccccc1 ZINC000896693335 591583327 /nfs/dbraw/zinc/58/33/27/591583327.db2.gz LCENPCCYBAZSOV-CJNGLKHVSA-N 0 0 338.371 1.787 10 0 EDAERN Cn1cc(CC2CN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)cn1 ZINC000899004667 591636296 /nfs/dbraw/zinc/63/62/96/591636296.db2.gz IYIWYUHTVKFCHP-AWEZNQCLSA-N 0 0 334.420 1.430 10 0 EDAERN Cc1[nH]nc(I)c1C(=O)N1CC[C@@H](CCO)C1 ZINC000897234894 591781283 /nfs/dbraw/zinc/78/12/83/591781283.db2.gz MMQFYVTYTRSZEE-QMMMGPOBSA-N 0 0 349.172 1.167 10 0 EDAERN CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)C1CC(C(C)(C)C)C1 ZINC000818371612 593695059 /nfs/dbraw/zinc/69/50/59/593695059.db2.gz YUXPYBQQDJPBGD-BPCQOVAHSA-N 0 0 333.436 1.116 10 0 EDAERN CCn1cc(C(=O)N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)cn1 ZINC000818493287 593700985 /nfs/dbraw/zinc/70/09/85/593700985.db2.gz JLNLCPOZOQYIRG-QGZVFWFLSA-N 0 0 345.403 1.373 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccnc(Cl)c1 ZINC000101963655 595282101 /nfs/dbraw/zinc/28/21/01/595282101.db2.gz YBVLJUSNMPSOQD-GFCCVEGCSA-N 0 0 346.836 1.982 10 0 EDAERN Cc1occc1COC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000121656529 596411199 /nfs/dbraw/zinc/41/11/99/596411199.db2.gz MONGBIHXUZNIFR-GOEBONIOSA-N 0 0 331.372 1.974 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(F)cc3[nH]cnc32)cn1 ZINC000862925090 596452096 /nfs/dbraw/zinc/45/20/96/596452096.db2.gz CEOANLNTOHHOKN-UONOGXRCSA-N 0 0 345.334 1.012 10 0 EDAERN Cc1noc([C@@H]2CC(=O)N(C3CN(Cc4cc(C5CC5)no4)C3)C2)n1 ZINC000864313411 596831816 /nfs/dbraw/zinc/83/18/16/596831816.db2.gz UNNNWDYKYOLFLK-GFCCVEGCSA-N 0 0 343.387 1.444 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ncccn2)CC1 ZINC000888697343 597083413 /nfs/dbraw/zinc/08/34/13/597083413.db2.gz WNYPWVRSWQZQBT-UHFFFAOYSA-N 0 0 349.435 1.746 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(CO)c(F)c1 ZINC000170855034 698271871 /nfs/dbraw/zinc/27/18/71/698271871.db2.gz KOCWWGCPXQGEBI-CQSZACIVSA-N 0 0 326.368 1.705 10 0 EDAERN COC(=O)Cn1cc(CCOC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)nn1 ZINC000182057304 700364285 /nfs/dbraw/zinc/36/42/85/700364285.db2.gz UTLSOEKOURKTSS-STQMWFEESA-N 0 0 337.420 1.999 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)OC1CCN(CC(F)F)CC1 ZINC000183965950 702886055 /nfs/dbraw/zinc/88/60/55/702886055.db2.gz NGYDRJGFULXCCD-SNVBAGLBSA-N 0 0 330.331 1.671 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)[C@H](C)N2CCc3ccccc32)n1 ZINC000186603677 711844897 /nfs/dbraw/zinc/84/48/97/711844897.db2.gz FEAILTJTVKQCMN-LRDDRELGSA-N 0 0 342.399 1.729 10 0 EDAERN COC[C@@H](O)CN(C)[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000050157846 214048111 /nfs/dbraw/zinc/04/81/11/214048111.db2.gz MMXPMBVJHCZHIS-GWCFXTLKSA-N 0 0 330.222 1.959 10 0 EDAERN CNC(=O)[C@H]1CCCN1CC(=O)c1ccc(Br)cc1 ZINC000050154413 214048483 /nfs/dbraw/zinc/04/84/83/214048483.db2.gz KUFMZHMNMHMNON-GFCCVEGCSA-N 0 0 325.206 1.842 10 0 EDAERN CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC000050202209 214049385 /nfs/dbraw/zinc/04/93/85/214049385.db2.gz RMTAZPUYUQDKKE-LDYMZIIASA-N 0 0 343.177 1.463 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)C(C)C ZINC000178860343 290604484 /nfs/dbraw/zinc/60/44/84/290604484.db2.gz FIQZWDJEPLVAHB-TZMCWYRMSA-N 0 0 335.404 1.161 10 0 EDAERN NS(=O)(=O)c1cc(Br)ccc1OC[C@@H]1CCCO1 ZINC000050428413 214057333 /nfs/dbraw/zinc/05/73/33/214057333.db2.gz YMNQFBFQIXBJHS-VIFPVBQESA-N 0 0 336.207 1.654 10 0 EDAERN CCCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000050632011 214061890 /nfs/dbraw/zinc/06/18/90/214061890.db2.gz UHIZBHOJYMKOPR-UHFFFAOYSA-N 0 0 334.463 1.600 10 0 EDAERN Nc1ncc(Br)cc1C(=O)N1CCCC[C@@H]1CCO ZINC000050700044 214067072 /nfs/dbraw/zinc/06/70/72/214067072.db2.gz LUHHIKHOSRPLFN-SNVBAGLBSA-N 0 0 328.210 1.803 10 0 EDAERN C[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000051639478 214100133 /nfs/dbraw/zinc/10/01/33/214100133.db2.gz ZWLHOSHUIRFADT-MRVPVSSYSA-N 0 0 347.234 1.742 10 0 EDAERN COCC[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000052810386 214146464 /nfs/dbraw/zinc/14/64/64/214146464.db2.gz MGMPCMLVKKSJEO-VIFPVBQESA-N 0 0 331.166 1.450 10 0 EDAERN CCN1CCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000052929817 214155227 /nfs/dbraw/zinc/15/52/27/214155227.db2.gz FMSBPKYNCZFLTN-AWEZNQCLSA-N 0 0 325.453 1.798 10 0 EDAERN COCCN[C@H](C(=O)OC)c1cc2c(c(Br)c1)OCO2 ZINC000053258791 214173806 /nfs/dbraw/zinc/17/38/06/214173806.db2.gz KAHWXJMWLUMLOV-NSHDSACASA-N 0 0 346.177 1.628 10 0 EDAERN CCS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000053645290 214193013 /nfs/dbraw/zinc/19/30/13/214193013.db2.gz DBXCLJXENSKEPL-UHFFFAOYSA-N 0 0 346.474 1.041 10 0 EDAERN CCN(C(=O)N[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000053961927 214207979 /nfs/dbraw/zinc/20/79/79/214207979.db2.gz IRLZVZCURPYSTC-OCCSQVGLSA-N 0 0 338.429 1.729 10 0 EDAERN C[C@@H](C(=O)N1CCc2sccc2C1)n1nnc2ccccc2c1=O ZINC000054914524 214260133 /nfs/dbraw/zinc/26/01/33/214260133.db2.gz MFKWTVDAZJWXQF-NSHDSACASA-N 0 0 340.408 1.999 10 0 EDAERN CCn1nnnc1-c1cccc(NC(=O)NCCn2cc(C)cn2)c1 ZINC000173440971 230942477 /nfs/dbraw/zinc/94/24/77/230942477.db2.gz OQQKMMXZULLVLC-UHFFFAOYSA-N 0 0 340.391 1.687 10 0 EDAERN COc1cc(Br)c([C@H](O)[C@@H]2COCCO2)cc1OC ZINC000055303327 214304275 /nfs/dbraw/zinc/30/42/75/214304275.db2.gz KTQVJIZRQULHLB-STQMWFEESA-N 0 0 333.178 1.915 10 0 EDAERN Cc1noc2nc(C)cc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)c12 ZINC000173881013 231058486 /nfs/dbraw/zinc/05/84/86/231058486.db2.gz BEIPXTJKEJTWTH-XHDPSFHLSA-N 0 0 344.415 1.632 10 0 EDAERN Cc1cc(C)n(CCC(=O)NCCCNc2cccnc2)c(=O)n1 ZINC000055404362 214320452 /nfs/dbraw/zinc/32/04/52/214320452.db2.gz ZASHLZPRPVQMJN-UHFFFAOYSA-N 0 0 329.404 1.264 10 0 EDAERN Cc1ccc(O[C@H](C)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173814497 231042071 /nfs/dbraw/zinc/04/20/71/231042071.db2.gz HFCOKORUIGKJMG-LZLYRXPVSA-N 0 0 332.444 1.941 10 0 EDAERN Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174002346 231095338 /nfs/dbraw/zinc/09/53/38/231095338.db2.gz XYOWUDWSUFXMLN-CYBMUJFWSA-N 0 0 328.409 1.229 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1C ZINC000173999723 231095549 /nfs/dbraw/zinc/09/55/49/231095549.db2.gz KQQNOCJPKMVXKB-CQSZACIVSA-N 0 0 340.445 1.099 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3nnc(C)s3)C2=O)n(C)n1 ZINC000174543810 231236572 /nfs/dbraw/zinc/23/65/72/231236572.db2.gz GEHWQIIRTUHCGC-SNVBAGLBSA-N 0 0 349.420 1.206 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H](O)c3ccccc3)CCO2)n1 ZINC000174771852 231305685 /nfs/dbraw/zinc/30/56/85/231305685.db2.gz WLERWQYKZLUIQG-SJORKVTESA-N 0 0 329.400 1.461 10 0 EDAERN CCc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1S(C)(=O)=O ZINC000154620956 529607082 /nfs/dbraw/zinc/60/70/82/529607082.db2.gz VQVLJGNKTDBIMA-CYBMUJFWSA-N 0 0 348.428 1.509 10 0 EDAERN Cc1cc(C(=O)Nc2cccc(F)c2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049683290 214026776 /nfs/dbraw/zinc/02/67/76/214026776.db2.gz SHTZZNBCGXFBAS-CYBMUJFWSA-N 0 0 337.376 1.943 10 0 EDAERN Cc1nnc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)o1 ZINC000049686721 214026169 /nfs/dbraw/zinc/02/61/69/214026169.db2.gz AHMFZKHEAQVVSP-UHFFFAOYSA-N 0 0 330.344 1.065 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@@H](C)C2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049683006 214026316 /nfs/dbraw/zinc/02/63/16/214026316.db2.gz VIKYNWZWIVCYKN-DGCLKSJQSA-N 0 0 325.434 1.423 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC(=O)N1S(C)(=O)=O ZINC000049676802 214026053 /nfs/dbraw/zinc/02/60/53/214026053.db2.gz XVZPXDHSFBLRLQ-NSHDSACASA-N 0 0 330.793 1.538 10 0 EDAERN O=C(CCOc1ccc(Br)cc1)N1CCNC(=O)CC1 ZINC000059883752 214624855 /nfs/dbraw/zinc/62/48/55/214624855.db2.gz XFLBUZIOBNUYHW-UHFFFAOYSA-N 0 0 341.205 1.567 10 0 EDAERN CCc1nc(-c2ncc(C)cn2)nc(N)c1I ZINC000167432508 529705116 /nfs/dbraw/zinc/70/51/16/529705116.db2.gz VJPLTWXZQWCIFS-UHFFFAOYSA-N 0 0 341.156 1.991 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)Cc2nnc(NC)s2)C1 ZINC000183563091 529760451 /nfs/dbraw/zinc/76/04/51/529760451.db2.gz DNGNXPZBOMUDPR-LLVKDONJSA-N 0 0 334.449 1.745 10 0 EDAERN CCc1nn(C)c(CN2C[C@H](CO)OC[C@@H]2C)c1Br ZINC000167793480 529766791 /nfs/dbraw/zinc/76/67/91/529766791.db2.gz UORNITUFTQXWQK-VHSXEESVSA-N 0 0 332.242 1.327 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000130285822 529784041 /nfs/dbraw/zinc/78/40/41/529784041.db2.gz MGSWJMJUOQDMTJ-NSHDSACASA-N 0 0 334.807 1.791 10 0 EDAERN CN1CCOc2ccc(NC(=O)N3CCC[C@@H](n4cncn4)C3)cc21 ZINC000175085558 529791705 /nfs/dbraw/zinc/79/17/05/529791705.db2.gz XOAQRRHHZMIIBH-CQSZACIVSA-N 0 0 342.403 1.976 10 0 EDAERN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cc21 ZINC000174564496 529877344 /nfs/dbraw/zinc/87/73/44/529877344.db2.gz PWGRMNASSFNAFS-GFCCVEGCSA-N 0 0 344.415 1.487 10 0 EDAERN C[C@H](C[C@@H]1C[C@@H](C)OC1=O)C(=O)NC(=S)Nc1nncs1 ZINC000004351294 210177622 /nfs/dbraw/zinc/17/76/22/210177622.db2.gz PNPOILZDLHVBFL-BWZBUEFSSA-N 0 0 328.419 1.329 10 0 EDAERN COc1nccnc1N1CC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000065268713 214858022 /nfs/dbraw/zinc/85/80/22/214858022.db2.gz MKKCCWCJRAQHNJ-GFCCVEGCSA-N 0 0 334.401 1.042 10 0 EDAERN COCCCOc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cn1 ZINC000177616678 231940725 /nfs/dbraw/zinc/94/07/25/231940725.db2.gz UUXQGEAZIDGCJO-ZDUSSCGKSA-N 0 0 331.376 1.353 10 0 EDAERN COCCS(=O)(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000101570815 219140169 /nfs/dbraw/zinc/14/01/69/219140169.db2.gz JIYYZLIRGHREPK-LLVKDONJSA-N 0 0 341.408 1.947 10 0 EDAERN CN(c1nc[n-]c(=O)c1I)[C@H]1CCCC[C@@H]1[NH3+] ZINC000158545489 530038184 /nfs/dbraw/zinc/03/81/84/530038184.db2.gz ZWWMASOCHQWCRM-YUMQZZPRSA-N 0 0 348.188 1.081 10 0 EDAERN C[C@H](NC(=O)[C@H](C)[S@@](=O)CCCC(=O)N(C)C)c1ccccc1 ZINC000177939320 232038317 /nfs/dbraw/zinc/03/83/17/232038317.db2.gz PGLNFKXAUSTEBJ-QIPPXTIRSA-N 0 0 338.473 1.869 10 0 EDAERN O=C(NCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccco1 ZINC000178493917 232197146 /nfs/dbraw/zinc/19/71/46/232197146.db2.gz BLUSPPKSFBBKQU-GUYCJALGSA-N 0 0 335.404 1.346 10 0 EDAERN Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 ZINC000004076024 210113525 /nfs/dbraw/zinc/11/35/25/210113525.db2.gz RZXMQAUOJUDTRO-UHFFFAOYSA-N 0 0 349.393 1.983 10 0 aggregator EDAERN CCCC(=O)O[C@@H](C)CC1([C@@H](C)CCC)C(=O)NC(=O)NC1=O ZINC000003608715 210064330 /nfs/dbraw/zinc/06/43/30/210064330.db2.gz OHVQIMOCFGIEID-QWRGUYRKSA-N 0 0 326.393 1.897 10 0 EDAERN C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000261713895 297249971 /nfs/dbraw/zinc/24/99/71/297249971.db2.gz DRDOCISIIFKIDM-ZJUUUORDSA-N 0 0 345.852 1.521 10 0 EDAERN C[C@@H](CO)[C@@H](C)NC(=O)C1CCC(C(=O)N[C@@H](C)[C@H](C)CO)CC1 ZINC000245654151 539594929 /nfs/dbraw/zinc/59/49/29/539594929.db2.gz KTGZPZWLTGMFNE-GZROQKPMSA-N 0 0 342.480 1.059 10 0 EDAERN CC(C)Cc1ncc2c(n1)CN(C(=O)C1CCS(=O)(=O)CC1)C2 ZINC000067696856 215189110 /nfs/dbraw/zinc/18/91/10/215189110.db2.gz CWRWGVHXOPIVNC-UHFFFAOYSA-N 0 0 337.445 1.342 10 0 EDAERN CCCS(=O)(=O)NC[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000067894215 215242320 /nfs/dbraw/zinc/24/23/20/215242320.db2.gz AUFJVPILOPOESL-CYBMUJFWSA-N 0 0 336.461 1.714 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C)c2)C1 ZINC000103324480 219291705 /nfs/dbraw/zinc/29/17/05/219291705.db2.gz JUDSYFQBHGUPAA-AWEZNQCLSA-N 0 0 349.406 1.980 10 0 EDAERN COC[C@@H](C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000103359496 219293452 /nfs/dbraw/zinc/29/34/52/219293452.db2.gz WOQDSHMKTOEABV-RHSMWYFYSA-N 0 0 336.432 1.467 10 0 EDAERN CC(C)NC(=O)COc1cc2ccccc2cc1C(=O)NCCCO ZINC000041293918 213437926 /nfs/dbraw/zinc/43/79/26/213437926.db2.gz YWDSNHHTKQUNLX-UHFFFAOYSA-N 0 0 344.411 1.855 10 0 EDAERN CCCS(=O)(=O)NCc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000041159360 213428122 /nfs/dbraw/zinc/42/81/22/213428122.db2.gz JSSXOBDJVCALDT-UHFFFAOYSA-N 0 0 338.385 1.129 10 0 EDAERN CCCCS(=O)(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O ZINC000041170081 213429111 /nfs/dbraw/zinc/42/91/11/213429111.db2.gz KXIBYPWFCRNCAA-UHFFFAOYSA-N 0 0 338.429 1.799 10 0 EDAERN Nc1cc(C(=O)O[C@@H]2CCCCNC2=O)ccc1Br ZINC000041093423 213415076 /nfs/dbraw/zinc/41/50/76/213415076.db2.gz TVZOVOJYMDCWJN-LLVKDONJSA-N 0 0 327.178 1.857 10 0 EDAERN COC(=O)[C@](C)(C[C@@H](C)SCCS(C)(=O)=O)NC(C)C ZINC000068643622 215324919 /nfs/dbraw/zinc/32/49/19/215324919.db2.gz XBOHXULWYRASLZ-YPMHNXCESA-N 0 0 325.496 1.473 10 0 EDAERN COCC[S@@](=O)[C@H](C)C(=O)Nc1nc2ccc(N)cc2s1 ZINC000040970527 213404599 /nfs/dbraw/zinc/40/45/99/213404599.db2.gz IXDGMLHEPILEDY-ZEDNOMKYSA-N 0 0 327.431 1.601 10 0 EDAERN Cc1cnc(CCN(C)C(=O)[C@H](Cc2ccccc2)NC(N)=O)s1 ZINC000152417298 539811405 /nfs/dbraw/zinc/81/14/05/539811405.db2.gz CJLZHQJEGIURRB-AWEZNQCLSA-N 0 0 346.456 1.732 10 0 EDAERN CCOc1ncnc(Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1N ZINC000040705838 213371479 /nfs/dbraw/zinc/37/14/79/213371479.db2.gz VMWWUICXSAQOGM-UHFFFAOYSA-N 0 0 346.343 1.774 10 0 EDAERN CCc1nc([C@]2(NCCOC)CCCS(=O)(=O)C2)sc1C ZINC000069139710 215363193 /nfs/dbraw/zinc/36/31/93/215363193.db2.gz XHEJBPUHAPQLMD-AWEZNQCLSA-N 0 0 332.491 1.654 10 0 EDAERN CCCN[C@@](Cn1cc(Br)cn1)(C(=O)OC)C1CC1 ZINC000069192677 215369385 /nfs/dbraw/zinc/36/93/85/215369385.db2.gz ZSLJHNMSKNITAA-CYBMUJFWSA-N 0 0 330.226 1.967 10 0 EDAERN COCCNC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000040655074 213365236 /nfs/dbraw/zinc/36/52/36/213365236.db2.gz YKOFSVYGVAHGFK-UHFFFAOYSA-N 0 0 347.824 1.648 10 0 EDAERN COCCNC(=O)Nc1ccc(N2CCCS2(=O)=O)c(OC)c1 ZINC000040655011 213365418 /nfs/dbraw/zinc/36/54/18/213365418.db2.gz YOBJDGQLIUXEGI-UHFFFAOYSA-N 0 0 343.405 1.003 10 0 EDAERN O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000040624928 213361558 /nfs/dbraw/zinc/36/15/58/213361558.db2.gz XRKIZYUFZVEKTD-NWDGAFQWSA-N 0 0 349.330 1.343 10 0 EDAERN CC(=O)Nc1sc2c(c1C(=O)N(CCO)CCO)CC[C@H](C)C2 ZINC000001933828 209806905 /nfs/dbraw/zinc/80/69/05/209806905.db2.gz VWJKFINQRFXINX-JTQLQIEISA-N 0 0 340.445 1.258 10 0 EDAERN C[C@H]1CN(C(=O)NCc2ccc(Cl)cn2)C[C@H]1N1CCOCC1 ZINC000180827283 234001439 /nfs/dbraw/zinc/00/14/39/234001439.db2.gz CMHKSMWSFSFSJG-SWLSCSKDSA-N 0 0 338.839 1.597 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cnn(C(C)(C)C)c3)C2)cn1 ZINC000153154035 539856951 /nfs/dbraw/zinc/85/69/51/539856951.db2.gz PNFJEAHFIDQBJY-GFCCVEGCSA-N 0 0 344.419 1.326 10 0 EDAERN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000181200630 234116849 /nfs/dbraw/zinc/11/68/49/234116849.db2.gz WOEKTVKSGSTLEB-SGIREYDYSA-N 0 0 346.427 1.681 10 0 EDAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)OCc1ccccc1 ZINC000181461624 234194706 /nfs/dbraw/zinc/19/47/06/234194706.db2.gz AVUSDQHVXUPKBS-ZIAGYGMSSA-N 0 0 325.430 1.627 10 0 EDAERN CC(C)(NS(=O)(=O)c1cccc(Br)c1)C(N)=S ZINC000040350079 213292589 /nfs/dbraw/zinc/29/25/89/213292589.db2.gz DCUMJZJLPWGTPQ-UHFFFAOYSA-N 0 0 337.264 1.792 10 0 EDAERN O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000127883788 222893123 /nfs/dbraw/zinc/89/31/23/222893123.db2.gz VAFSGGBGUSZQOP-XJKSGUPXSA-N 0 0 342.399 1.478 10 0 EDAERN O=C(NCCc1c[nH]cn1)c1cccc(I)c1 ZINC000038962113 213230740 /nfs/dbraw/zinc/23/07/40/213230740.db2.gz YXCAQVWBWFTAHC-UHFFFAOYSA-N 0 0 341.152 1.987 10 0 EDAERN CC(CO)(CO)NC(=O)c1csc(-c2cc3ccccc3[nH]2)n1 ZINC000038909661 213229384 /nfs/dbraw/zinc/22/93/84/213229384.db2.gz LFMLBKBRFMBIBF-UHFFFAOYSA-N 0 0 331.397 1.765 10 0 EDAERN COc1nn(C)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 ZINC000038708337 213221856 /nfs/dbraw/zinc/22/18/56/213221856.db2.gz UNSJOOWSXCBVER-UHFFFAOYSA-N 0 0 330.344 1.145 10 0 EDAERN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc(C)on2)n1 ZINC000038741172 213222903 /nfs/dbraw/zinc/22/29/03/213222903.db2.gz GQBXCSKKOPBUJO-UHFFFAOYSA-N 0 0 328.332 1.787 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H](C)O1 ZINC000177295207 540104529 /nfs/dbraw/zinc/10/45/29/540104529.db2.gz UOBORXDFOAILBJ-KBPBESRZSA-N 0 0 342.399 1.506 10 0 EDAERN CC(C)COc1ccc([C@H](C)NC(=O)CCNS(C)(=O)=O)cc1 ZINC000177475094 540105086 /nfs/dbraw/zinc/10/50/86/540105086.db2.gz NPQWSFCKWWYCSG-ZDUSSCGKSA-N 0 0 342.461 1.838 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(C)nc(=O)[nH]1 ZINC000182686850 540133286 /nfs/dbraw/zinc/13/32/86/540133286.db2.gz SQMRWILRDJYTQF-ABAIWWIYSA-N 0 0 342.399 1.862 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)CCc3ccc(O)cc3)CCO2)c1 ZINC000183763784 235220096 /nfs/dbraw/zinc/22/00/96/235220096.db2.gz FDTLRLRSBQDIFD-QGZVFWFLSA-N 0 0 329.400 1.757 10 0 EDAERN CCOc1ccc(-c2noc(CN[C@@H](C(=O)NC)C(C)C)n2)cc1 ZINC000183640453 540139334 /nfs/dbraw/zinc/13/93/34/540139334.db2.gz HDLWNSWQJMGHOU-OAHLLOKOSA-N 0 0 332.404 1.996 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 ZINC000105868583 219568797 /nfs/dbraw/zinc/56/87/97/219568797.db2.gz TTYRYOBEYVUEGQ-UHFFFAOYSA-N 0 0 346.435 1.878 10 0 EDAERN CCOc1ccccc1C(F)(F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000128726535 222981457 /nfs/dbraw/zinc/98/14/57/222981457.db2.gz PGJIOVFBOCCOJS-LLVKDONJSA-N 0 0 336.342 1.900 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000047639814 138123152 /nfs/dbraw/zinc/12/31/52/138123152.db2.gz PXBWJVOFRQTVRG-UONOGXRCSA-N 0 0 334.420 1.034 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)[C@H]1CCCO1 ZINC000077707784 138254010 /nfs/dbraw/zinc/25/40/10/138254010.db2.gz ISKIXDMFRNQZOU-WCQYABFASA-N 0 0 336.436 1.631 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000083740977 138269414 /nfs/dbraw/zinc/26/94/14/138269414.db2.gz UJBYIGYAKJLRAS-UONOGXRCSA-N 0 0 348.451 1.512 10 0 EDAERN COC(=O)c1ccc(CCNC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000081475198 138266691 /nfs/dbraw/zinc/26/66/91/138266691.db2.gz FQGICECNLQRODG-CVEARBPZSA-N 0 0 334.416 1.866 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000081581252 138267170 /nfs/dbraw/zinc/26/71/70/138267170.db2.gz SHEKJGMZMHAGKZ-STQMWFEESA-N 0 0 349.435 1.795 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(-n2cncn2)c1 ZINC000088198296 138272009 /nfs/dbraw/zinc/27/20/09/138272009.db2.gz COCMWKPNXZOUFK-CQSZACIVSA-N 0 0 337.387 1.686 10 0 EDAERN CNC(=O)[C@H]1CCCN1Cc1ccccc1OCC(=O)N1CCCC1 ZINC000092099626 138286573 /nfs/dbraw/zinc/28/65/73/138286573.db2.gz KTKLRJDQHUJFBT-MRXNPFEDSA-N 0 0 345.443 1.398 10 0 EDAERN CCc1nnc(CS(=O)(=O)CCCOc2ccc(F)cc2)n1C ZINC000091047713 138281403 /nfs/dbraw/zinc/28/14/03/138281403.db2.gz DTPZJHFYDRIVEV-UHFFFAOYSA-N 0 0 341.408 1.901 10 0 EDAERN CN(CCO)C(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000098098156 138297585 /nfs/dbraw/zinc/29/75/85/138297585.db2.gz PBNVGRLUSODSCI-CQSZACIVSA-N 0 0 333.413 1.134 10 0 EDAERN NC(=O)[C@@H]1COCCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000092229371 138287136 /nfs/dbraw/zinc/28/71/36/138287136.db2.gz AQOZHRHDTNJMNW-NSHDSACASA-N 0 0 346.214 1.508 10 0 EDAERN Cc1nnc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)n1C ZINC000092617329 138289945 /nfs/dbraw/zinc/28/99/45/138289945.db2.gz LGNIISCRQXWLRJ-UHFFFAOYSA-N 0 0 325.420 1.318 10 0 EDAERN COc1ccc(COCCNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000093004628 138291149 /nfs/dbraw/zinc/29/11/49/138291149.db2.gz NDDCCYGXNHFZJV-CYBMUJFWSA-N 0 0 346.383 1.740 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1O ZINC000093909593 138295038 /nfs/dbraw/zinc/29/50/38/138295038.db2.gz NXMZKNNLOFJBSL-LLVKDONJSA-N 0 0 341.205 1.848 10 0 EDAERN C[C@@H]1CN(C(=O)/C=C/c2ccnc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000120569773 138316146 /nfs/dbraw/zinc/31/61/46/138316146.db2.gz IWOROTYAQWUEDS-DQNOIUNYSA-N 0 0 335.835 1.927 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000109219345 138305681 /nfs/dbraw/zinc/30/56/81/138305681.db2.gz RYQCQIFGFOEHQF-VXGBXAGGSA-N 0 0 349.774 1.858 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(C)cc1C)CC2 ZINC000114863387 138310632 /nfs/dbraw/zinc/31/06/32/138310632.db2.gz FXUCHDJBLRADSQ-CQSZACIVSA-N 0 0 328.416 1.967 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC(=O)N(C(CC)CC)C1)CC2 ZINC000114865676 138310732 /nfs/dbraw/zinc/31/07/32/138310732.db2.gz LKVFDYMGSSHQCG-CHWSQXEVSA-N 0 0 347.463 1.309 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000185785917 235750121 /nfs/dbraw/zinc/75/01/21/235750121.db2.gz GTVUNUVZKXRIJH-SJCJKPOMSA-N 0 0 331.416 1.385 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2ncn(-c3ccccc3)n2)n1 ZINC000121129119 138317253 /nfs/dbraw/zinc/31/72/53/138317253.db2.gz CWQNLOXMGGLOJN-ZDUSSCGKSA-N 0 0 340.343 1.172 10 0 EDAERN CN(C(=O)c1cccc2c1OCO2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122032523 138317948 /nfs/dbraw/zinc/31/79/48/138317948.db2.gz RSTUNJSHVVXHIJ-CYBMUJFWSA-N 0 0 340.383 1.946 10 0 EDAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000130273241 138340657 /nfs/dbraw/zinc/34/06/57/138340657.db2.gz JTANBCPBJYFPRE-IJLUTSLNSA-N 0 0 335.433 1.986 10 0 EDAERN CC(=O)C1(c2ccccc2)CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000037600456 213159858 /nfs/dbraw/zinc/15/98/58/213159858.db2.gz CPVSZVPLJUSGRB-INIZCTEOSA-N 0 0 344.455 1.857 10 0 EDAERN CS(=O)(=O)CCNc1cccc(I)c1 ZINC000037491568 213149424 /nfs/dbraw/zinc/14/94/24/213149424.db2.gz MWFWNWRTAHHODF-UHFFFAOYSA-N 0 0 325.171 1.748 10 0 EDAERN C[C@H](NC(=O)COCCOc1ccccc1)c1nnc2n1CCCC2 ZINC000135426708 138424411 /nfs/dbraw/zinc/42/44/11/138424411.db2.gz GQJSQLNHBQHOCS-AWEZNQCLSA-N 0 0 344.415 1.887 10 0 EDAERN CCOCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC000036721909 213113737 /nfs/dbraw/zinc/11/37/37/213113737.db2.gz VUDYJSRQSPOLQV-UHFFFAOYSA-N 0 0 327.189 1.616 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCNC(=O)C(C)C ZINC000036656249 213107188 /nfs/dbraw/zinc/10/71/88/213107188.db2.gz FMYRWMQNFJMGDW-HOCLYGCPSA-N 0 0 347.459 1.720 10 0 EDAERN CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1c(N)ncn1C ZINC000070085586 215674787 /nfs/dbraw/zinc/67/47/87/215674787.db2.gz BIQNJWUCECZHHI-JTQLQIEISA-N 0 0 326.447 1.762 10 0 EDAERN CC(C)C(=O)N1CCN([C@@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255770 213079265 /nfs/dbraw/zinc/07/92/65/213079265.db2.gz XKBLALAOARSFGY-QGZVFWFLSA-N 0 0 335.492 1.968 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)NC[C@@H]1CCCCO1 ZINC000070431606 215689932 /nfs/dbraw/zinc/68/99/32/215689932.db2.gz WNSBTEXHGVTFQJ-LBPRGKRZSA-N 0 0 328.459 1.477 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C)[nH]c(=O)n2)cc1 ZINC000036236763 213078367 /nfs/dbraw/zinc/07/83/67/213078367.db2.gz YAUPWSPATMQWII-LLVKDONJSA-N 0 0 329.356 1.306 10 0 EDAERN Cc1ccccc1C(=O)N1CCc2ccc(S(N)(=O)=O)cc2C1 ZINC000036135566 213073219 /nfs/dbraw/zinc/07/32/19/213073219.db2.gz HEZMDTLYVXJAEA-UHFFFAOYSA-N 0 0 330.409 1.841 10 0 EDAERN COCCN1[C@H](C)CN(C(=O)c2cc(OC)cc(OC)c2)C[C@H]1C ZINC000036123327 213070233 /nfs/dbraw/zinc/07/02/33/213070233.db2.gz ZZBSFKVXLFGJHC-ZIAGYGMSSA-N 0 0 336.432 1.885 10 0 EDAERN COc1cccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)c1 ZINC000036135587 213072649 /nfs/dbraw/zinc/07/26/49/213072649.db2.gz QBSNXQUTUKDRJT-UHFFFAOYSA-N 0 0 346.408 1.541 10 0 EDAERN Cc1cc(F)c(S(=O)(=O)N(CCO)CC(F)(F)F)cc1N ZINC000070485249 215699095 /nfs/dbraw/zinc/69/90/95/215699095.db2.gz UMKAFSLRLOYVPB-UHFFFAOYSA-N 0 0 330.303 1.262 10 0 EDAERN COc1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)ccc1F ZINC000187453347 236214858 /nfs/dbraw/zinc/21/48/58/236214858.db2.gz HUZKMVYDICGEFR-CYBMUJFWSA-N 0 0 335.379 1.470 10 0 EDAERN CCOc1ccc([C@H](CNS(=O)(=O)N(C)C)N2CCCC2)cc1 ZINC000036090483 213061431 /nfs/dbraw/zinc/06/14/31/213061431.db2.gz YJVFGIUPPQWHIV-INIZCTEOSA-N 0 0 341.477 1.618 10 0 EDAERN O=C([O-])C[NH+]1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000035680789 213046507 /nfs/dbraw/zinc/04/65/07/213046507.db2.gz XMNHAVCAEQEMGQ-UHFFFAOYSA-N 0 0 331.185 1.790 10 0 EDAERN Nc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)c(Br)c1 ZINC000035612011 213042958 /nfs/dbraw/zinc/04/29/58/213042958.db2.gz COYFYABRCPBCNX-VIFPVBQESA-N 0 0 335.223 1.177 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171462708 138657052 /nfs/dbraw/zinc/65/70/52/138657052.db2.gz KHIGIOPFKQPREB-HNNXBMFYSA-N 0 0 335.452 1.915 10 0 EDAERN CCO[C@H](CCNC(=O)N[C@@H]1CCc2ncnn2C1)C1CCCC1 ZINC000176381759 138708199 /nfs/dbraw/zinc/70/81/99/138708199.db2.gz SAUQUXOBIFAIPK-HUUCEWRRSA-N 0 0 335.452 1.878 10 0 EDAERN COCC(=O)N1CCc2c(c(COCc3ccc(C)cc3)nn2C)C1 ZINC000033282700 212916340 /nfs/dbraw/zinc/91/63/40/212916340.db2.gz ZKPCPEHIHDTKHI-UHFFFAOYSA-N 0 0 343.427 1.976 10 0 EDAERN O=C(NC[C@H]1COC2(CCCCCC2)O1)N[C@@H]1CCCn2ncnc21 ZINC000180761073 138761836 /nfs/dbraw/zinc/76/18/36/138761836.db2.gz BSNLSJDOACNUFQ-UONOGXRCSA-N 0 0 349.435 1.878 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(C)C ZINC000181250454 138765916 /nfs/dbraw/zinc/76/59/16/138765916.db2.gz DILPPVVIADCXCB-SUMWQHHRSA-N 0 0 337.464 1.300 10 0 EDAERN COC(=O)c1cccc(Oc2nc[nH]c(=O)c2[C@H]2CC(C)=NN2)c1 ZINC000072175868 216064801 /nfs/dbraw/zinc/06/48/01/216064801.db2.gz BNPMHXSUWQBONJ-GFCCVEGCSA-N 0 0 328.328 1.759 10 0 EDAERN CC(C)(NC(=O)[C@@H](N)CC(N)=O)c1ccc(Br)cc1 ZINC000037626844 213161383 /nfs/dbraw/zinc/16/13/83/213161383.db2.gz ZCISOVBVMJGPGU-JTQLQIEISA-N 0 0 328.210 1.003 10 0 EDAERN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N1CC(NC(C)=O)C1 ZINC000190152626 238253712 /nfs/dbraw/zinc/25/37/12/238253712.db2.gz XVDPIIMXCPRANN-BMIGLBTASA-N 0 0 339.823 1.946 10 0 EDAERN COCCc1nccc(-c2nnc3nc(-c4ccco4)nn3c2C)n1 ZINC000072452691 216240007 /nfs/dbraw/zinc/24/00/07/216240007.db2.gz FFTQZIWRGQZGPR-UHFFFAOYSA-N 0 0 337.343 1.734 10 0 EDAERN Cc1nc2ncnn2c2ccn(Cc3ccc4c(c3)OCCO4)c(=O)c12 ZINC000072472738 216249919 /nfs/dbraw/zinc/24/99/19/216249919.db2.gz WQKXLAOZQKMPSQ-UHFFFAOYSA-N 0 0 349.350 1.567 10 0 EDAERN COC(=O)c1cnn2c1nnc1c(=O)n(-c3ccc(F)cc3)ccc12 ZINC000072466083 216247972 /nfs/dbraw/zinc/24/79/72/216247972.db2.gz JOHDXILCBLEDMF-UHFFFAOYSA-N 0 0 339.286 1.354 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)N1CCc2c1cccc2Cl ZINC000130077551 223119702 /nfs/dbraw/zinc/11/97/02/223119702.db2.gz AWKJMVMKYXSJKV-NHYWBVRUSA-N 0 0 336.819 1.896 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCC(=O)N(C)CC)C12CCCC2 ZINC000186198380 138814156 /nfs/dbraw/zinc/81/41/56/138814156.db2.gz DDMCMNBTCUPURB-ZIAGYGMSSA-N 0 0 325.453 1.844 10 0 EDAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)NCC(F)(F)F)CCO2)cn1 ZINC000190728713 238699654 /nfs/dbraw/zinc/69/96/54/238699654.db2.gz RVHTYQJNJPQEPY-CMPLNLGQSA-N 0 0 334.342 1.343 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCC(C)(C)O1)CC2 ZINC000187191743 138824121 /nfs/dbraw/zinc/82/41/21/138824121.db2.gz WWWJQBSOACVQFI-CHWSQXEVSA-N 0 0 335.452 1.973 10 0 EDAERN Cc1cc2cc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)ccc2[nH]1 ZINC000187983915 138830433 /nfs/dbraw/zinc/83/04/33/138830433.db2.gz PPIXIXGDCHZUMI-UHFFFAOYSA-N 0 0 340.383 1.152 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000188436470 138841330 /nfs/dbraw/zinc/84/13/30/138841330.db2.gz CKTNYANVJAYESA-ZIAGYGMSSA-N 0 0 344.333 1.646 10 0 EDAERN O=C(CCCc1nc(C2CC2)no1)N1CC(NC(=O)C2CCC2)C1 ZINC000188558258 138844766 /nfs/dbraw/zinc/84/47/66/138844766.db2.gz JMELGZGKSIUCMQ-UHFFFAOYSA-N 0 0 332.404 1.397 10 0 EDAERN Cn1cnc(-c2ccc(C(=O)N3CC(NC(=O)C4CCC4)C3)cc2)n1 ZINC000188556661 138844861 /nfs/dbraw/zinc/84/48/61/138844861.db2.gz WHOFUTXZHXVXLB-UHFFFAOYSA-N 0 0 339.399 1.223 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](C)N1CCCCC1=O)C(C)C ZINC000188750049 138850477 /nfs/dbraw/zinc/85/04/77/138850477.db2.gz LQGZZVIDMNVXGB-WMLDXEAASA-N 0 0 339.480 1.691 10 0 EDAERN CNC(=O)c1ccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)cc1 ZINC000109005540 219939326 /nfs/dbraw/zinc/93/93/26/219939326.db2.gz VTPFIFQUMNVKNJ-CYBMUJFWSA-N 0 0 343.431 1.616 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000109089681 219946514 /nfs/dbraw/zinc/94/65/14/219946514.db2.gz XDZFRPRZQQSETN-RYUDHWBXSA-N 0 0 334.326 1.650 10 0 EDAERN Cc1nc2cc(F)cc(C(=O)N3CCCNC(=O)[C@@H]3C)c2nc1C ZINC000189252506 138865308 /nfs/dbraw/zinc/86/53/08/138865308.db2.gz LAWYGYGDVFDQMQ-NSHDSACASA-N 0 0 330.363 1.736 10 0 EDAERN COc1cc(Cl)c(C)cc1NC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189296544 138866683 /nfs/dbraw/zinc/86/66/83/138866683.db2.gz IZOALEOYZBVWGR-LLVKDONJSA-N 0 0 339.823 1.806 10 0 EDAERN COc1ccc(NC(=O)CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000189330469 138868201 /nfs/dbraw/zinc/86/82/01/138868201.db2.gz UKMNZXUSROCEJA-LSDHHAIUSA-N 0 0 346.387 1.787 10 0 EDAERN Cc1cccc(CNC(=O)Cn2c3ccccc3n(C)c(=O)c2=O)c1 ZINC000021943652 212265000 /nfs/dbraw/zinc/26/50/00/212265000.db2.gz SLGKLRSBWJHIJM-UHFFFAOYSA-N 0 0 337.379 1.325 10 0 EDAERN Cc1noc([C@H]2COCCN2CCOCC(F)(F)C(F)(F)F)n1 ZINC000189920906 138882985 /nfs/dbraw/zinc/88/29/85/138882985.db2.gz RLYMSCOLLMEFIK-SECBINFHSA-N 0 0 345.268 1.966 10 0 EDAERN CC(C)(C)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614070 212154468 /nfs/dbraw/zinc/15/44/68/212154468.db2.gz WHOWLFXSJTUQMS-CQSZACIVSA-N 0 0 334.416 1.951 10 0 EDAERN Cc1ccc2nc(NCCCN3CCOCC3)c3nnnn3c2c1 ZINC000020560446 212147945 /nfs/dbraw/zinc/14/79/45/212147945.db2.gz HMKKTZPEKVXKOD-UHFFFAOYSA-N 0 0 327.392 1.115 10 0 EDAERN COC(=O)Nc1cc(CN2C(=O)[C@@H]3CCCN3C2=O)ccc1OC ZINC000020529626 212143228 /nfs/dbraw/zinc/14/32/28/212143228.db2.gz DTSDRGUSAXHTEW-LBPRGKRZSA-N 0 0 333.344 1.800 10 0 EDAERN Nc1nnc(CNS(=O)(=O)c2ccc(Br)cc2)s1 ZINC000020201397 212110598 /nfs/dbraw/zinc/11/05/98/212110598.db2.gz MLIWUQCOVHYSPY-UHFFFAOYSA-N 0 0 349.235 1.361 10 0 EDAERN CCS(=O)(=O)C1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000193241821 138964395 /nfs/dbraw/zinc/96/43/95/138964395.db2.gz VNNRYMZGUHECIG-MRXNPFEDSA-N 0 0 341.473 1.463 10 0 EDAERN CN(C(=O)c1ccnc(F)c1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000193562212 138972413 /nfs/dbraw/zinc/97/24/13/138972413.db2.gz SJAIZFXMVRXKHJ-NSHDSACASA-N 0 0 333.342 1.891 10 0 EDAERN Cc1csc([C@@H]2CN(S(=O)(=O)N3CCC[C@@H]3C)CCO2)n1 ZINC000193946870 138982417 /nfs/dbraw/zinc/98/24/17/138982417.db2.gz QUJUDWTUTNSXOZ-RYUDHWBXSA-N 0 0 331.463 1.554 10 0 EDAERN COc1cc(Br)c(CNC(C)(C)C(N)=O)cc1OC ZINC000040674563 213366932 /nfs/dbraw/zinc/36/69/32/213366932.db2.gz MFYPCWQUUNQCIL-UHFFFAOYSA-N 0 0 331.210 1.820 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc2ncccc2c1 ZINC000077938490 217003736 /nfs/dbraw/zinc/00/37/36/217003736.db2.gz XWPPNNJVBPTKRB-BBRMVZONSA-N 0 0 327.384 1.841 10 0 EDAERN CN(CC(=O)N[C@H]1COc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000194875620 139001809 /nfs/dbraw/zinc/00/18/09/139001809.db2.gz RXQPYVNIZXEWJD-HNNXBMFYSA-N 0 0 346.408 1.557 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3ccc4c(c3)sc(=O)n4C)CCO2)[nH]1 ZINC000195039578 139005364 /nfs/dbraw/zinc/00/53/64/139005364.db2.gz GCEVDLKBQITHQG-ZDUSSCGKSA-N 0 0 345.428 1.600 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000195274688 139012151 /nfs/dbraw/zinc/01/21/51/139012151.db2.gz FYTLMDFXZRLAHZ-HNNXBMFYSA-N 0 0 325.368 1.941 10 0 EDAERN CNC(=O)NC(=O)[C@H](C)Oc1c(Br)cccc1CO ZINC000048797219 213965558 /nfs/dbraw/zinc/96/55/58/213965558.db2.gz YROYYPLTUOVHTD-ZETCQYMHSA-N 0 0 331.166 1.164 10 0 EDAERN CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccccc1C(N)=S ZINC000048966592 213974136 /nfs/dbraw/zinc/97/41/36/213974136.db2.gz DBDIMOHPJOZBSQ-LLVKDONJSA-N 0 0 328.459 1.510 10 0 EDAERN O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1ccccn1 ZINC000049389027 214005033 /nfs/dbraw/zinc/00/50/33/214005033.db2.gz VQGZUPHBAOFQSM-UHFFFAOYSA-N 0 0 340.339 1.691 10 0 EDAERN Cn1c2ccccc2n(CCNS(=O)(=O)c2ccccc2)c1=O ZINC000049705645 214028206 /nfs/dbraw/zinc/02/82/06/214028206.db2.gz CXHSSDYICSUNSI-UHFFFAOYSA-N 0 0 331.397 1.319 10 0 EDAERN CCN1CCN(C(=O)[C@@H](C)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000195521409 139019983 /nfs/dbraw/zinc/01/99/83/139019983.db2.gz PBSNCGRQLVGHQX-KGLIPLIRSA-N 0 0 338.477 1.069 10 0 EDAERN CCN(CC(=O)Nc1cccc(Br)c1)CC(=O)OC ZINC000049947869 214037787 /nfs/dbraw/zinc/03/77/87/214037787.db2.gz IYWQIZXITHMSCD-UHFFFAOYSA-N 0 0 329.194 1.883 10 0 EDAERN COc1c(F)cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cc1F ZINC000078995135 217168411 /nfs/dbraw/zinc/16/84/11/217168411.db2.gz ZOQXZXHLLCMVAD-TVQRCGJNSA-N 0 0 342.342 1.579 10 0 EDAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCO[C@H](c2nccs2)C1 ZINC000110877179 220073393 /nfs/dbraw/zinc/07/33/93/220073393.db2.gz FMUPSRZLAXGLGO-ZDUSSCGKSA-N 0 0 341.396 1.938 10 0 EDAERN O=C(c1cnn(-c2ccccc2)n1)N1CCO[C@H](c2nccs2)C1 ZINC000110879041 220073828 /nfs/dbraw/zinc/07/38/28/220073828.db2.gz KPUSWLFFQWVSTG-AWEZNQCLSA-N 0 0 341.396 1.938 10 0 EDAERN O=C(CS(=O)(=O)C1CCCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000110885551 220075929 /nfs/dbraw/zinc/07/59/29/220075929.db2.gz PAJJAQDXUAOIKP-GFCCVEGCSA-N 0 0 344.458 1.400 10 0 EDAERN Cc1ccc(O[C@H](C)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111086215 220098691 /nfs/dbraw/zinc/09/86/91/220098691.db2.gz XVYBPCOEFIGIPB-NVXWUHKLSA-N 0 0 329.400 1.886 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111077468 220096596 /nfs/dbraw/zinc/09/65/96/220096596.db2.gz AWRPJOGOMPLTGG-INIZCTEOSA-N 0 0 342.399 1.773 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111077471 220096843 /nfs/dbraw/zinc/09/68/43/220096843.db2.gz AWRPJOGOMPLTGG-MRXNPFEDSA-N 0 0 342.399 1.773 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2cccc(C)c2)C[C@@H]1C ZINC000111228093 220116342 /nfs/dbraw/zinc/11/63/42/220116342.db2.gz WMTFKQZXSITLLO-KRWDZBQOSA-N 0 0 333.476 1.654 10 0 EDAERN COCCN(C)S(=O)(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000111338649 220141100 /nfs/dbraw/zinc/14/11/00/220141100.db2.gz UJGPKMABHQQXQY-HNNXBMFYSA-N 0 0 342.461 1.662 10 0 EDAERN Cc1ccccc1/C=C1\NC(=O)N(CC(=O)Nc2nccs2)C1=O ZINC000015052583 211792267 /nfs/dbraw/zinc/79/22/67/211792267.db2.gz ZGJWVVDYCPNZBM-WQLSENKSSA-N 0 0 342.380 1.983 10 0 EDAERN O=C(CN1C(=O)N/C(=C\c2ccccc2O)C1=O)N1CCCCC1 ZINC000015052481 211791787 /nfs/dbraw/zinc/79/17/87/211791787.db2.gz FWRNIMPDKNGOMM-RAXLEYEMSA-N 0 0 329.356 1.297 10 0 EDAERN O=C(NCCc1cccc(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111807070 220194004 /nfs/dbraw/zinc/19/40/04/220194004.db2.gz DTKYRMWIPXTFPO-MRXNPFEDSA-N 0 0 332.379 1.675 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1sccc1-n1cnnn1 ZINC000081450638 217399905 /nfs/dbraw/zinc/39/99/05/217399905.db2.gz IKOPFOJUMRMMNU-SECBINFHSA-N 0 0 337.405 1.526 10 0 EDAERN C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111838362 220204111 /nfs/dbraw/zinc/20/41/11/220204111.db2.gz UWODSURIKCFGQB-PBHICJAKSA-N 0 0 344.415 1.630 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3ncccc3C)CCO2)n1 ZINC000111857657 220211100 /nfs/dbraw/zinc/21/11/00/220211100.db2.gz RVMFORLKHVSOQG-MRXNPFEDSA-N 0 0 343.431 1.814 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(Br)cc2O)C1 ZINC000112022856 220230520 /nfs/dbraw/zinc/23/05/20/220230520.db2.gz PLXAYQCGCIWLMQ-SNVBAGLBSA-N 0 0 329.194 1.215 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)CSCc3ccncc3)CCO2)c1 ZINC000112061882 220235742 /nfs/dbraw/zinc/23/57/42/220235742.db2.gz WGOZTLRVLZIYOL-MRXNPFEDSA-N 0 0 346.456 1.747 10 0 EDAERN CC[C@@H]1CN(C(=O)c2c(OC)cccc2OC)CCN1C[C@H](C)O ZINC000245602892 139080660 /nfs/dbraw/zinc/08/06/60/139080660.db2.gz WLUSCIZQFSHOGW-UONOGXRCSA-N 0 0 336.432 1.621 10 0 EDAERN COc1ccc(CN2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)CC2=O)cc1 ZINC000245706927 139083719 /nfs/dbraw/zinc/08/37/19/139083719.db2.gz XWHFMJHTTVUDGU-HYVNUMGLSA-N 0 0 346.427 1.463 10 0 EDAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000246122388 139095733 /nfs/dbraw/zinc/09/57/33/139095733.db2.gz NUAWMJVHBFVLPK-RGCMKSIDSA-N 0 0 331.416 1.763 10 0 EDAERN O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NC1CC1 ZINC000013959636 211661980 /nfs/dbraw/zinc/66/19/80/211661980.db2.gz IFOIEHOYGNVPNW-UHFFFAOYSA-N 0 0 345.380 1.945 10 0 EDAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246176806 139097708 /nfs/dbraw/zinc/09/77/08/139097708.db2.gz UFONXYPEVLIJRI-OLZOCXBDSA-N 0 0 342.451 1.410 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)oc1C ZINC000246447404 139108843 /nfs/dbraw/zinc/10/88/43/139108843.db2.gz IIODDJIJINHZGG-LBPRGKRZSA-N 0 0 342.417 1.233 10 0 EDAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000246606613 139114911 /nfs/dbraw/zinc/11/49/11/139114911.db2.gz PIWRWFGLFDTQOQ-RDBSUJKOSA-N 0 0 341.477 1.580 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000246675846 139117235 /nfs/dbraw/zinc/11/72/35/139117235.db2.gz AHJDOTOXUXREAH-OWCLPIDISA-N 0 0 344.411 1.688 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)c2nnc3ccccn32)C[C@H]1C ZINC000247082176 139135029 /nfs/dbraw/zinc/13/50/29/139135029.db2.gz LKUVBEUJQVHDEN-ZIAGYGMSSA-N 0 0 346.435 1.152 10 0 EDAERN C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247089597 139135357 /nfs/dbraw/zinc/13/53/57/139135357.db2.gz ICVPQRFYXVPJJX-BBBLOLIVSA-N 0 0 330.372 1.840 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2Cl)C[C@@H]1C ZINC000247116137 139136202 /nfs/dbraw/zinc/13/62/02/139136202.db2.gz JFBIKJBFQQXDBM-SOUVJXGZSA-N 0 0 342.867 1.467 10 0 EDAERN COCCN1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)C[C@H]1C ZINC000247144200 139137392 /nfs/dbraw/zinc/13/73/92/139137392.db2.gz LEBLAEVRDCXCHL-CRAIPNDOSA-N 0 0 331.460 1.659 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)NCc2ccc(C)cc2)C[C@@H]1C ZINC000247254474 139142686 /nfs/dbraw/zinc/14/26/86/139142686.db2.gz UHHIYJQLUSZGJZ-DLBZAZTESA-N 0 0 333.476 1.652 10 0 EDAERN C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H](n2cncn2)C1 ZINC000247395449 139147282 /nfs/dbraw/zinc/14/72/82/139147282.db2.gz XRKOCBCIPVMAMZ-ZIAGYGMSSA-N 0 0 333.461 1.724 10 0 EDAERN Cc1cccc([C@@H]2CCCN(C(=O)C3CCN(CC(N)=O)CC3)C2)c1 ZINC000091474969 218011740 /nfs/dbraw/zinc/01/17/40/218011740.db2.gz WKBKHUVVUJAEDT-GOSISDBHSA-N 0 0 343.471 1.898 10 0 EDAERN COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(C(C)=O)CC1 ZINC000011657383 211230692 /nfs/dbraw/zinc/23/06/92/211230692.db2.gz DOCASCKBIGPJMR-UHFFFAOYSA-N 0 0 333.388 1.851 10 0 EDAERN Cc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@@H]3C(N)=O)s2)o1 ZINC000091778917 218064382 /nfs/dbraw/zinc/06/43/82/218064382.db2.gz XTBFFRYCOASSBF-SNVBAGLBSA-N 0 0 335.385 1.346 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000091782333 218064976 /nfs/dbraw/zinc/06/49/76/218064976.db2.gz RBMMVHHCTUPOQU-INIZCTEOSA-N 0 0 344.411 1.241 10 0 EDAERN Cc1cc(OCCCC(=O)N2CCOC[C@@H]2C(N)=O)ccc1Cl ZINC000091781313 218065577 /nfs/dbraw/zinc/06/55/77/218065577.db2.gz AEBTVMQOSWLBHN-CQSZACIVSA-N 0 0 340.807 1.520 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000091782885 218065827 /nfs/dbraw/zinc/06/58/27/218065827.db2.gz WEYGAIGXHGTPAY-ZWNOBZJWSA-N 0 0 344.333 1.912 10 0 EDAERN O=C(Cn1cnnn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091788827 218066642 /nfs/dbraw/zinc/06/66/42/218066642.db2.gz DCXBMELNPHREGY-ZDUSSCGKSA-N 0 0 325.294 1.959 10 0 EDAERN CCN(c1ccc(NC(=O)CN2CCOC[C@@H]2C(N)=O)cc1)C(C)C ZINC000092229479 218127519 /nfs/dbraw/zinc/12/75/19/218127519.db2.gz DCOGOGWFQNXISX-MRXNPFEDSA-N 0 0 348.447 1.046 10 0 EDAERN NC(=O)[C@H]1COCCN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000092229903 218127629 /nfs/dbraw/zinc/12/76/29/218127629.db2.gz DVHZTMOEAXJHBU-QGZVFWFLSA-N 0 0 344.390 1.186 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)N[C@H](C)c1ccccc1OC ZINC000248919218 139180686 /nfs/dbraw/zinc/18/06/86/139180686.db2.gz WLDIFTVLVVJAAH-HIFRSBDPSA-N 0 0 334.416 1.900 10 0 EDAERN Cc1cnc(=O)[nH]c1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009808876 211124129 /nfs/dbraw/zinc/12/41/29/211124129.db2.gz IZZFGTPBIFGILI-UHFFFAOYSA-N 0 0 333.369 1.580 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000249063315 139184313 /nfs/dbraw/zinc/18/43/13/139184313.db2.gz YWSKWTLUDUFMAW-AWEZNQCLSA-N 0 0 344.452 1.616 10 0 EDAERN CNC(=O)CSc1nc2c(cnn2-c2cccc(C)c2C)c(=O)[nH]1 ZINC000009521724 211097263 /nfs/dbraw/zinc/09/72/63/211097263.db2.gz LRTNYKCRJLGWPZ-UHFFFAOYSA-N 0 0 343.412 1.976 10 0 EDAERN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@@H](O)C[C@@H]1CO ZINC000249370441 139191832 /nfs/dbraw/zinc/19/18/32/139191832.db2.gz WLZAYOXPDKYYMJ-XYPHTWIQSA-N 0 0 333.432 1.041 10 0 EDAERN C[C@H](C(=O)NCC(F)(F)F)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249543350 139195285 /nfs/dbraw/zinc/19/52/85/139195285.db2.gz FNSJBACLJDRVNO-YUSALJHKSA-N 0 0 336.379 1.823 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)COc1ccc(F)cc1)[C@H]1CCCO1 ZINC000249750675 139198120 /nfs/dbraw/zinc/19/81/20/139198120.db2.gz ARQZMUUARXNPMH-NJZAAPMLSA-N 0 0 326.368 1.432 10 0 EDAERN Cc1ccnc(S(=O)(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000095090376 218280288 /nfs/dbraw/zinc/28/02/88/218280288.db2.gz XTFJTAULORXWCT-LBPRGKRZSA-N 0 0 341.433 1.958 10 0 EDAERN COCCn1ccc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)n1 ZINC000251630809 139202002 /nfs/dbraw/zinc/20/20/02/139202002.db2.gz GWRJVNFEJJEEFC-SNPRPXQTSA-N 0 0 335.404 1.476 10 0 EDAERN C[C@H](C(=O)N[C@@H]1COc2ccccc21)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000250208327 139200863 /nfs/dbraw/zinc/20/08/63/139200863.db2.gz LJEJGPNHYKICJL-RGCMKSIDSA-N 0 0 342.395 1.800 10 0 EDAERN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000252321391 139204290 /nfs/dbraw/zinc/20/42/90/139204290.db2.gz ANAQDDFZMQQKPD-ZACQAIPSSA-N 0 0 349.479 1.627 10 0 EDAERN C[C@H](NC(=O)Cn1ncn2nccc2c1=O)c1ccc2ccccc2c1 ZINC000112229642 220269800 /nfs/dbraw/zinc/26/98/00/220269800.db2.gz OKZKVTZFCSOYCG-ZDUSSCGKSA-N 0 0 347.378 1.922 10 0 EDAERN COCc1cc(=O)n(Cc2cn3cc(Br)ccc3n2)cn1 ZINC000095449301 218394037 /nfs/dbraw/zinc/39/40/37/218394037.db2.gz YKJCSHSTZXOCKV-UHFFFAOYSA-N 0 0 349.188 1.848 10 0 EDAERN O=C(c1ccnnc1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096048385 218535642 /nfs/dbraw/zinc/53/56/42/218535642.db2.gz MSAQJSFZEMYHAI-WMLDXEAASA-N 0 0 340.387 1.142 10 0 EDAERN C[C@H]1CN(c2ccccn2)C[C@@]12COCCN(Cc1nccn1C)C2 ZINC000096070410 218568172 /nfs/dbraw/zinc/56/81/72/218568172.db2.gz COCLFINQGHKOLN-LPHOPBHVSA-N 0 0 341.459 1.790 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(N)=O ZINC000006762928 210705559 /nfs/dbraw/zinc/70/55/59/210705559.db2.gz HKCORYUHMSHZMT-JOYOIKCWSA-N 0 0 326.780 1.511 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@H]2C[C@H]2C)ccc1Br ZINC000175997267 532971746 /nfs/dbraw/zinc/97/17/46/532971746.db2.gz NRZNBPCQJWCUJK-XCBNKYQSSA-N 0 0 327.178 1.921 10 0 EDAERN CSc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000145471546 532997007 /nfs/dbraw/zinc/99/70/07/532997007.db2.gz VGHOBTGYJWEJTL-GFCCVEGCSA-N 0 0 330.475 1.408 10 0 EDAERN COc1cc(NCC(=O)N2CCN(C)CC2)ccc1Br ZINC000169073966 533025511 /nfs/dbraw/zinc/02/55/11/533025511.db2.gz PGRYUYRPLCKESQ-UHFFFAOYSA-N 0 0 342.237 1.644 10 0 EDAERN O=C(NCC1CCS(=O)(=O)CC1)N1CCC[C@H]1c1ccco1 ZINC000153399928 224098871 /nfs/dbraw/zinc/09/88/71/224098871.db2.gz ZHWGGCHILVXLOH-ZDUSSCGKSA-N 0 0 326.418 1.951 10 0 EDAERN CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000174392341 533077697 /nfs/dbraw/zinc/07/76/97/533077697.db2.gz ZFOQGFVKBYIBSV-GFCCVEGCSA-N 0 0 336.461 1.445 10 0 EDAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112654242 220365743 /nfs/dbraw/zinc/36/57/43/220365743.db2.gz ZPYYQFKIXBKOLE-NWDGAFQWSA-N 0 0 337.424 1.403 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1sccc1Br ZINC000112650925 220364172 /nfs/dbraw/zinc/36/41/72/220364172.db2.gz DCIUSMNGVNMFNM-ZETCQYMHSA-N 0 0 327.207 1.847 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(F)ccc1Br ZINC000112653662 220366027 /nfs/dbraw/zinc/36/60/27/220366027.db2.gz WJXWAEASEHVQPN-SECBINFHSA-N 0 0 339.168 1.925 10 0 EDAERN O=C(CSc1nc2ccccc2o1)N[C@@H]1CCc2ncnn2C1 ZINC000112658204 220366321 /nfs/dbraw/zinc/36/63/21/220366321.db2.gz XSQLVTCSJHZOCY-SNVBAGLBSA-N 0 0 329.385 1.643 10 0 EDAERN O=C(CCc1cnn(-c2ccccc2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112663057 220368179 /nfs/dbraw/zinc/36/81/79/220368179.db2.gz ZGIRVAWZVIVHRJ-OAHLLOKOSA-N 0 0 336.399 1.528 10 0 EDAERN CCOC(=O)CCCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112743749 220394351 /nfs/dbraw/zinc/39/43/51/220394351.db2.gz DZYUJYQXPKHPTB-UHFFFAOYSA-N 0 0 336.436 1.955 10 0 EDAERN CCO[C@@H]1CCN(C(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)C[C@@H]1C ZINC000263488978 139344788 /nfs/dbraw/zinc/34/47/88/139344788.db2.gz QKXQIEATRDNSMJ-VXGQWTEUSA-N 0 0 341.452 1.380 10 0 EDAERN CSCC[C@H](NC(=O)C(=O)NC1CC1)c1nc2ccccc2[nH]1 ZINC000115374269 220837528 /nfs/dbraw/zinc/83/75/28/220837528.db2.gz ZQDJIALSTBTSES-ZDUSSCGKSA-N 0 0 332.429 1.752 10 0 EDAERN COCCCCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117040788 221026220 /nfs/dbraw/zinc/02/62/20/221026220.db2.gz VNXZFFOBHODCJA-SFHVURJKSA-N 0 0 349.475 1.864 10 0 EDAERN CCOCCN1CCN(C(=O)CCS(=O)(=O)CC(C)C)C[C@H]1C ZINC000117276128 221041039 /nfs/dbraw/zinc/04/10/39/221041039.db2.gz IJESQEZFRJIBFQ-OAHLLOKOSA-N 0 0 348.509 1.017 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccccc2Cl)C[C@@H]1C ZINC000117369909 221058413 /nfs/dbraw/zinc/05/84/13/221058413.db2.gz VFFWQUGKCGHOML-LBPRGKRZSA-N 0 0 332.853 1.681 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CCN1CCOC ZINC000117372580 221058438 /nfs/dbraw/zinc/05/84/38/221058438.db2.gz FPBIEGSEHBNBAJ-CQSZACIVSA-N 0 0 330.425 1.557 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCN1CCOC ZINC000117371700 221058823 /nfs/dbraw/zinc/05/88/23/221058823.db2.gz SQIAPOSUHFOBJT-CYBMUJFWSA-N 0 0 348.415 1.696 10 0 EDAERN COCCN1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000117288309 221045557 /nfs/dbraw/zinc/04/55/57/221045557.db2.gz CWTDCTFLBUSJTP-VFADXPBXSA-N 0 0 348.443 1.896 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(Br)o2)C[C@H]1C ZINC000117294261 221046962 /nfs/dbraw/zinc/04/69/62/221046962.db2.gz LVIIYDDTVLZKRQ-SNVBAGLBSA-N 0 0 331.210 1.835 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)C[C@@H]1C ZINC000117522148 221074429 /nfs/dbraw/zinc/07/44/29/221074429.db2.gz OVBXXOSWEBHMBP-HNNXBMFYSA-N 0 0 347.459 1.928 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000118061286 221110459 /nfs/dbraw/zinc/11/04/59/221110459.db2.gz VDXYWSVVVACCHZ-GFCCVEGCSA-N 0 0 333.358 1.375 10 0 EDAERN C[C@H](CNC(=O)Cc1ccccc1OC(F)F)N1CCOCC1 ZINC000118312233 221138684 /nfs/dbraw/zinc/13/86/84/221138684.db2.gz XAAHOHLTDXTHPS-GFCCVEGCSA-N 0 0 328.359 1.667 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(-n2ccnc2)nc1 ZINC000118672593 221167875 /nfs/dbraw/zinc/16/78/75/221167875.db2.gz WPSCFNKWKOJFSK-OAHLLOKOSA-N 0 0 349.398 1.456 10 0 EDAERN COc1ccc(C[C@H](C)CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000118983345 221217541 /nfs/dbraw/zinc/21/75/41/221217541.db2.gz JWKHDFCBQZPTSF-YOEHRIQHSA-N 0 0 335.448 1.504 10 0 EDAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Cc3nccn3C)C2)C1 ZINC000119169789 221258363 /nfs/dbraw/zinc/25/83/63/221258363.db2.gz OFPIMDXMLFGUAG-HZPDHXFCSA-N 0 0 346.475 1.850 10 0 EDAERN O=C(N[C@@H]1COc2ccccc21)N1CCC(Cn2ccnn2)CC1 ZINC000119507717 221335321 /nfs/dbraw/zinc/33/53/21/221335321.db2.gz ZPMWIBMPVVZSOK-OAHLLOKOSA-N 0 0 327.388 1.833 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2nnc(/C=C/c3ccco3)s2)C1 ZINC000119467087 221327698 /nfs/dbraw/zinc/32/76/98/221327698.db2.gz ZEPFYYWVMSJMSN-ZYOFXKKJSA-N 0 0 349.416 1.754 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000119765459 221394846 /nfs/dbraw/zinc/39/48/46/221394846.db2.gz JPOKGVHRBRJKFD-OLZOCXBDSA-N 0 0 349.435 1.275 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000155132471 224364183 /nfs/dbraw/zinc/36/41/83/224364183.db2.gz DNHDHNDZQSDUQD-CQSZACIVSA-N 0 0 329.408 1.744 10 0 EDAERN Cc1ccnc(OC[C@]23CCO[C@H]2CCN(c2ncccn2)C3)n1 ZINC000253480888 257659342 /nfs/dbraw/zinc/65/93/42/257659342.db2.gz ZLHDQGVUEZSVTI-WMLDXEAASA-N 0 0 327.388 1.639 10 0 EDAERN C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000155606406 224442585 /nfs/dbraw/zinc/44/25/85/224442585.db2.gz IPTNPLIQKJLAGG-NUEKZKHPSA-N 0 0 334.416 1.969 10 0 EDAERN COCCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccc(C)c1 ZINC000248000804 257669891 /nfs/dbraw/zinc/66/98/91/257669891.db2.gz CZHJANJKASYYOQ-LSDHHAIUSA-N 0 0 338.429 1.005 10 0 EDAERN C[C@@H](NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCOC1 ZINC000166729141 533277499 /nfs/dbraw/zinc/27/74/99/533277499.db2.gz IUWZIHFYKHFYOD-RKDXNWHRSA-N 0 0 332.809 1.142 10 0 EDAERN CS(=O)(=O)CCNC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174664547 533359021 /nfs/dbraw/zinc/35/90/21/533359021.db2.gz RTKZPGURFLOLHU-GJZGRUSLSA-N 0 0 340.445 1.329 10 0 EDAERN COc1cc(Br)c(N)cc1S(=O)(=O)NC[C@@H]1C[C@@H]1C ZINC000158854245 533487974 /nfs/dbraw/zinc/48/79/74/533487974.db2.gz WOSSXEYQXDKJIN-YUMQZZPRSA-N 0 0 349.250 1.974 10 0 EDAERN CSCCN(C)S(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000167532303 533580264 /nfs/dbraw/zinc/58/02/64/533580264.db2.gz OJGCWMVCFGULBF-UHFFFAOYSA-N 0 0 338.907 1.958 10 0 EDAERN C[C@@H](N[C@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Br)cc1 ZINC000160045130 533547868 /nfs/dbraw/zinc/54/78/68/533547868.db2.gz LRUXMLNGUXCHPZ-JFUSQASVSA-N 0 0 334.235 1.258 10 0 EDAERN C[C@H](CC(=O)N[C@@H]1CCCn2ncnc21)NC(=O)c1ccccc1 ZINC000175710537 533672088 /nfs/dbraw/zinc/67/20/88/533672088.db2.gz ARBLSEJSVZPUTA-TZMCWYRMSA-N 0 0 327.388 1.438 10 0 EDAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC[C@H](N3CCOCC3)C1)C2 ZINC000173764165 292003670 /nfs/dbraw/zinc/00/36/70/292003670.db2.gz NVIMMNLJDIAPSV-FUHWJXTLSA-N 0 0 330.428 1.540 10 0 EDAERN CN1CCN(c2ncnc(Nc3ccc4c(c3)OCCO4)c2N)CC1 ZINC000040726248 132405842 /nfs/dbraw/zinc/40/58/42/132405842.db2.gz HCUMMRPUNYEEMW-UHFFFAOYSA-N 0 0 342.403 1.325 10 0 EDAERN Cc1nc(C)n(C2CN(S(=O)(=O)C[C@H](C)c3ccccc3)C2)n1 ZINC000328823175 140677475 /nfs/dbraw/zinc/67/74/75/140677475.db2.gz RBGQUSRKTHDTSM-LBPRGKRZSA-N 0 0 334.445 1.885 10 0 EDAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)C[C@H]2CCCCC(=O)N2)n1 ZINC000328976906 140687899 /nfs/dbraw/zinc/68/78/99/140687899.db2.gz DBSCPWZBSATAIH-HCKVZZMMSA-N 0 0 336.392 1.956 10 0 EDAERN O=S(=O)(NC[C@@]1(O)CCSC1)c1cnc2ccc(F)cc2c1 ZINC000329269506 140703985 /nfs/dbraw/zinc/70/39/85/140703985.db2.gz IMCDOXGBUNFAKM-AWEZNQCLSA-N 0 0 342.417 1.520 10 0 EDAERN O=C([C@H]1CC=CC[C@@H]1c1nc(-c2ncon2)no1)N1CCOCC1 ZINC000329584285 140742009 /nfs/dbraw/zinc/74/20/09/140742009.db2.gz LWVDZIZOUMTNPY-QWRGUYRKSA-N 0 0 331.332 1.028 10 0 EDAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329851697 140771287 /nfs/dbraw/zinc/77/12/87/140771287.db2.gz TYSJLACWEUGXJX-JHJVBQTASA-N 0 0 336.392 1.813 10 0 EDAERN CC(C)(C)N1CCN(C(=O)Cn2cccnc2=O)c2ccccc21 ZINC000330039297 140796976 /nfs/dbraw/zinc/79/69/76/140796976.db2.gz FHXIHYJJEXJCMO-UHFFFAOYSA-N 0 0 326.400 1.895 10 0 EDAERN COc1cccc(C(=O)N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)c1 ZINC000330160723 140809022 /nfs/dbraw/zinc/80/90/22/140809022.db2.gz SHOMAZVQEXMNPE-KRWDZBQOSA-N 0 0 343.427 1.216 10 0 EDAERN O=C(NC1CC1)[C@H](O)C1CCN(Cc2nc3cccnc3s2)CC1 ZINC000333147408 141271927 /nfs/dbraw/zinc/27/19/27/141271927.db2.gz LKPQRSNHAYFISD-OAHLLOKOSA-N 0 0 346.456 1.543 10 0 EDAERN O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)N1CC(O)(C2CC2)C1 ZINC000333183845 141277403 /nfs/dbraw/zinc/27/74/03/141277403.db2.gz SXKNUGVWKJBDAN-BPUTZDHNSA-N 0 0 342.443 1.597 10 0 EDAERN C[C@H]1CN(C(=O)NCCC2CCOCC2)C[C@H]1N1CCOCC1 ZINC000333304112 141295979 /nfs/dbraw/zinc/29/59/79/141295979.db2.gz UCNHODZNEWZMND-GOEBONIOSA-N 0 0 325.453 1.165 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(C[C@H](O)CC)CC2)C12CCC2 ZINC000248500780 286261421 /nfs/dbraw/zinc/26/14/21/286261421.db2.gz STGWZJMIJYHMHK-BZUAXINKSA-N 0 0 339.480 1.432 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2nnc(C)s2)C12CCOCC2 ZINC000185935000 286269905 /nfs/dbraw/zinc/26/99/05/286269905.db2.gz AKAQWSFRINFPRQ-GHMZBOCLSA-N 0 0 326.422 1.942 10 0 EDAERN Cc1nc(CN(C)[C@H]2CCN(C(=O)c3cc(C4CC4)no3)C2)no1 ZINC000374228126 157203815 /nfs/dbraw/zinc/20/38/15/157203815.db2.gz GSSPSVDMSHCHIR-LBPRGKRZSA-N 0 0 331.376 1.590 10 0 EDAERN CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3conc3C3CC3)C2)C1=O ZINC000377993532 158050487 /nfs/dbraw/zinc/05/04/87/158050487.db2.gz WERBTQISGJJKKM-INIZCTEOSA-N 0 0 332.360 1.097 10 0 EDAERN CCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3cncn3C)C2)o1 ZINC000378036990 158062264 /nfs/dbraw/zinc/06/22/64/158062264.db2.gz CBRQURQIAFBSST-CQSZACIVSA-N 0 0 331.420 1.594 10 0 EDAERN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000176823947 286815447 /nfs/dbraw/zinc/81/54/47/286815447.db2.gz LJIOUEXAWGQVDR-RYUDHWBXSA-N 0 0 337.424 1.212 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCO1 ZINC000179438607 287151432 /nfs/dbraw/zinc/15/14/32/287151432.db2.gz QXOVFSBSKAHBRC-BFYDXBDKSA-N 0 0 334.391 1.983 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000080622602 287308270 /nfs/dbraw/zinc/30/82/70/287308270.db2.gz VCQHIDRFRBEONS-SNVBAGLBSA-N 0 0 346.309 1.765 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(=O)c1ccsc1 ZINC000081587106 287314207 /nfs/dbraw/zinc/31/42/07/287314207.db2.gz SMBBLSDBKODBGP-LBPRGKRZSA-N 0 0 333.417 1.419 10 0 EDAERN O=S(=O)(NCC1CC(O)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000091538321 287332411 /nfs/dbraw/zinc/33/24/11/287332411.db2.gz FTBKHGVXOBGOHB-UHFFFAOYSA-N 0 0 341.763 1.991 10 0 EDAERN O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cccc(F)c1Br ZINC000156613069 224680329 /nfs/dbraw/zinc/68/03/29/224680329.db2.gz PFWJMXGHVXAOIH-SSDOTTSWSA-N 0 0 334.166 1.629 10 0 EDAERN NN[C@H](Cc1ccc(I)cc1)c1cnsn1 ZINC000156936036 224743206 /nfs/dbraw/zinc/74/32/06/224743206.db2.gz PUSMMNKYZRBYED-SECBINFHSA-N 0 0 346.197 1.890 10 0 EDAERN NN[C@H](Cc1ccc(I)cc1)c1ccnnc1 ZINC000156943870 224745292 /nfs/dbraw/zinc/74/52/92/224745292.db2.gz LIIPJDADCIHJPN-GFCCVEGCSA-N 0 0 340.168 1.828 10 0 EDAERN Cc1ncc(Cn2ncc(I)cc2=O)s1 ZINC000158587543 225048701 /nfs/dbraw/zinc/04/87/01/225048701.db2.gz VFXPONRWYXRMKM-UHFFFAOYSA-N 0 0 333.154 1.661 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)CCCN2C(=O)CN(C)C2=O)cc1F ZINC000119416997 287353017 /nfs/dbraw/zinc/35/30/17/287353017.db2.gz ORJVAAUONGFTEI-LBPRGKRZSA-N 0 0 335.379 1.986 10 0 EDAERN C[C@H]([C@H](Cc1cccc(F)c1Br)NN)S(C)(=O)=O ZINC000160053446 225328810 /nfs/dbraw/zinc/32/88/10/225328810.db2.gz DHJHHGGXTBGIQK-XCBNKYQSSA-N 0 0 339.230 1.396 10 0 EDAERN O=C(Nc1ccccc1OC(F)(F)F)C(=O)N1CCC[C@H]1CO ZINC000120941200 287366433 /nfs/dbraw/zinc/36/64/33/287366433.db2.gz PEFCQKUBOZVNRB-VIFPVBQESA-N 0 0 332.278 1.507 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)nc3)C2)c1 ZINC000163486155 225979463 /nfs/dbraw/zinc/97/94/63/225979463.db2.gz BEBGXIPIPGOZAT-ZDUSSCGKSA-N 0 0 331.351 1.528 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164045982 226040061 /nfs/dbraw/zinc/04/00/61/226040061.db2.gz RQCZNKUNCTZFIJ-WCQYABFASA-N 0 0 341.198 1.750 10 0 EDAERN Cc1cc(NC(=O)[C@@H]2C[C@H]2C)c(Br)cc1S(N)(=O)=O ZINC000164108418 226043837 /nfs/dbraw/zinc/04/38/37/226043837.db2.gz ORUGCUFOSXJJQY-HTRCEHHLSA-N 0 0 347.234 1.999 10 0 EDAERN C[C@@H](C(=O)Nc1cc(Br)cc(C(=O)[O-])c1)C1C[NH2+]C1 ZINC000164696676 226093460 /nfs/dbraw/zinc/09/34/60/226093460.db2.gz IZANGIAKRHCAKE-SSDOTTSWSA-N 0 0 327.178 1.941 10 0 EDAERN CS(=O)(=O)CC[C@H](N)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000167105012 226179970 /nfs/dbraw/zinc/17/99/70/226179970.db2.gz DUCUJBUVRHJCAU-LBPRGKRZSA-N 0 0 331.821 1.149 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2Br)CC[C@@H]1O ZINC000165992514 226144523 /nfs/dbraw/zinc/14/45/23/226144523.db2.gz MXGBEITVBPTNAO-KCJUWKMLSA-N 0 0 349.250 1.423 10 0 EDAERN O=C1CCN(Cc2ccc(Br)cc2Cl)C(=O)CN1 ZINC000168908039 226226205 /nfs/dbraw/zinc/22/62/05/226226205.db2.gz RYCHFOLKWJLIMP-UHFFFAOYSA-N 0 0 331.597 1.951 10 0 EDAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000170706705 226706772 /nfs/dbraw/zinc/70/67/72/226706772.db2.gz HMMZJPLDTSPKJJ-OAHLLOKOSA-N 0 0 349.350 1.456 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171432272 227078037 /nfs/dbraw/zinc/07/80/37/227078037.db2.gz LGYJVVZVZOOAOO-LLVKDONJSA-N 0 0 343.840 1.641 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCC(C)(C)N2CCOCC2)cn1 ZINC000171449863 227085380 /nfs/dbraw/zinc/08/53/80/227085380.db2.gz OUXSKUGFWVCFMK-OAHLLOKOSA-N 0 0 335.452 1.377 10 0 EDAERN CCOCCN(CC)C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122510655 222103234 /nfs/dbraw/zinc/10/32/34/222103234.db2.gz OOTMMEAVBGFOAD-GFCCVEGCSA-N 0 0 325.413 1.327 10 0 EDAERN CCC[C@@H](CCO)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000122549448 222111444 /nfs/dbraw/zinc/11/14/44/222111444.db2.gz BOQOUNOMSWJFFP-STQMWFEESA-N 0 0 339.440 1.357 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000123033630 222204035 /nfs/dbraw/zinc/20/40/35/222204035.db2.gz VPIIGSZJOMHKOF-IUODEOHRSA-N 0 0 334.445 1.873 10 0 EDAERN COCC(=O)N(C)CC(=O)N[C@@H](C)c1ccccc1Br ZINC000123346599 222260434 /nfs/dbraw/zinc/26/04/34/222260434.db2.gz JJSPMARKZCFBJD-JTQLQIEISA-N 0 0 343.221 1.731 10 0 EDAERN COc1ccsc1S(=O)(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000123451853 222279303 /nfs/dbraw/zinc/27/93/03/222279303.db2.gz GQZVVJHQJLNPCM-SECBINFHSA-N 0 0 328.419 1.470 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000123889649 222347480 /nfs/dbraw/zinc/34/74/80/222347480.db2.gz OCAAMPOLWWMQLQ-CYBMUJFWSA-N 0 0 332.404 1.115 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCc3cccnc3)CC2)cn1 ZINC000171595537 227164336 /nfs/dbraw/zinc/16/43/36/227164336.db2.gz IMENVJPQLAIBBR-UHFFFAOYSA-N 0 0 328.420 1.233 10 0 EDAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H](n2cncn2)C1 ZINC000171665503 227204709 /nfs/dbraw/zinc/20/47/09/227204709.db2.gz PNGGODVESKAEIP-YVZNUBBCSA-N 0 0 326.356 1.884 10 0 EDAERN Cc1cc(NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)no1 ZINC000171665031 227205577 /nfs/dbraw/zinc/20/55/77/227205577.db2.gz SQLAABQUKJTMDB-HNNXBMFYSA-N 0 0 344.415 1.553 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCCN(C)S(=O)(=O)c2cccs2)O1 ZINC000130509359 287494085 /nfs/dbraw/zinc/49/40/85/287494085.db2.gz UCRUTPUXXRFJSZ-QWRGUYRKSA-N 0 0 332.447 1.052 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2C)CC1 ZINC000189469944 272965566 /nfs/dbraw/zinc/96/55/66/272965566.db2.gz XLNQALPNBCEBQV-HNNXBMFYSA-N 0 0 333.432 1.157 10 0 EDAERN Cc1cccc(C[C@@H](CO)NC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000191152931 272979105 /nfs/dbraw/zinc/97/91/05/272979105.db2.gz ACGFAUKDSPRMHN-HIFRSBDPSA-N 0 0 330.384 1.426 10 0 EDAERN COc1ccccc1-c1nn(C)cc1C(=O)N1CC(NC(C)=O)C1 ZINC000191496758 272979990 /nfs/dbraw/zinc/97/99/90/272979990.db2.gz DYCWVXNBMJBUFM-UHFFFAOYSA-N 0 0 328.372 1.056 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000189190683 267772706 /nfs/dbraw/zinc/77/27/06/267772706.db2.gz FGDDUZIOVYJEDK-ZDUSSCGKSA-N 0 0 334.386 1.468 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)C1 ZINC000190220907 267790595 /nfs/dbraw/zinc/79/05/95/267790595.db2.gz DJCLTGKERBXFLQ-SNVBAGLBSA-N 0 0 325.796 1.637 10 0 EDAERN COc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1OCC(F)(F)F ZINC000194798926 267864527 /nfs/dbraw/zinc/86/45/27/267864527.db2.gz MFXFQBYFRUHRPP-QMMMGPOBSA-N 0 0 332.278 1.711 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)C1CCCC1 ZINC000276967527 268500917 /nfs/dbraw/zinc/50/09/17/268500917.db2.gz VDIORXHUDXJQAY-XFJVYGCCSA-N 0 0 333.436 1.618 10 0 EDAERN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246382634 287738641 /nfs/dbraw/zinc/73/86/41/287738641.db2.gz UPNLETHXVRLUIW-NFAWXSAZSA-N 0 0 325.430 1.923 10 0 EDAERN Cc1cc2c(c(C)c1)=NC(=O)C=2N/N=c1\sc2ccccc2n1C ZINC000012488091 274725513 /nfs/dbraw/zinc/72/55/13/274725513.db2.gz PBBUFRWYHOVFPJ-UZYVYHOESA-N 0 0 336.420 1.230 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000177195462 274862424 /nfs/dbraw/zinc/86/24/24/274862424.db2.gz DFPWDELOERYYPF-SWLSCSKDSA-N 0 0 330.388 1.594 10 0 EDAERN C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173950664 278192436 /nfs/dbraw/zinc/19/24/36/278192436.db2.gz FMSOHCGQSFLPAX-WMZOPIPTSA-N 0 0 343.471 1.761 10 0 EDAERN CC(=O)Nc1cccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000188581308 278207119 /nfs/dbraw/zinc/20/71/19/278207119.db2.gz MYEDQWJRBYJEAN-FZKQIMNGSA-N 0 0 345.443 1.746 10 0 EDAERN Cc1cc(C(=O)N2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)no1 ZINC000096042597 278642089 /nfs/dbraw/zinc/64/20/89/278642089.db2.gz DGODVWGQZCWYCS-FMKPAKJESA-N 0 0 329.356 1.829 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc2ccc(C)cn2c1=O ZINC000081582129 279135010 /nfs/dbraw/zinc/13/50/10/279135010.db2.gz AADYNUIWKKATCM-ZDUSSCGKSA-N 0 0 338.371 1.168 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000162264505 280342832 /nfs/dbraw/zinc/34/28/32/280342832.db2.gz DRRIBNDZMFPFOK-MJBXVCDLSA-N 0 0 327.446 1.806 10 0 EDAERN CC1=C(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)[C@@H](C)n2ncnc2N1C ZINC000192536442 281643211 /nfs/dbraw/zinc/64/32/11/281643211.db2.gz UVGBCCYQQUMASA-HBUWYVDXSA-N 0 0 345.447 1.717 10 0 EDAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000248598258 288785096 /nfs/dbraw/zinc/78/50/96/288785096.db2.gz IPGFABUMGGDXBG-VHDGCEQUSA-N 0 0 326.404 1.781 10 0 EDAERN C[NH+](C)C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCO1 ZINC000176298238 289201065 /nfs/dbraw/zinc/20/10/65/289201065.db2.gz GIYSKZMDGCRXFJ-CQSZACIVSA-N 0 0 348.378 1.120 10 0 EDAERN C[C@H](NC(=O)NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCO1 ZINC000048522506 289862131 /nfs/dbraw/zinc/86/21/31/289862131.db2.gz OVQJAFOHEPSXHY-SWLSCSKDSA-N 0 0 335.404 1.751 10 0 EDAERN COC[C@H](NC(=O)N1C[C@]2(CCCO2)[C@@H]1C(C)C)[C@@H]1CCCO1 ZINC000333696425 293132783 /nfs/dbraw/zinc/13/27/83/293132783.db2.gz BLVIIPTUIXPLJL-QBYUYEEZSA-N 0 0 326.437 1.779 10 0 EDAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000329359906 293156336 /nfs/dbraw/zinc/15/63/36/293156336.db2.gz HZIMERZLHIGFMN-CQSZACIVSA-N 0 0 327.388 1.792 10 0 EDAERN COC[C@H](O)CCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000245765547 293171205 /nfs/dbraw/zinc/17/12/05/293171205.db2.gz QZVLDUPEFSKIQX-BFYDXBDKSA-N 0 0 334.416 1.110 10 0 EDAERN C[C@@H]1CN(CCN2CCCC[C@H]2c2nnc3n2CCCC3)CCO1 ZINC000249272936 297001446 /nfs/dbraw/zinc/00/14/46/297001446.db2.gz JYFWGUAIOPAXSN-CVEARBPZSA-N 0 0 333.480 1.862 10 0 EDAERN CO[C@@H]1CN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)C[C@H]1OC ZINC000330218384 293821289 /nfs/dbraw/zinc/82/12/89/293821289.db2.gz OQUWFKUZZOQADZ-XNJGSVPQSA-N 0 0 348.424 1.488 10 0 EDAERN NS(=O)(=O)c1cccc(OC2CC2)c1I ZINC000095719694 295290241 /nfs/dbraw/zinc/29/02/41/295290241.db2.gz MMWGGCAWUVHHLE-UHFFFAOYSA-N 0 0 339.154 1.480 10 0 EDAERN O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174034165 304748378 /nfs/dbraw/zinc/74/83/78/304748378.db2.gz BBCMZUUHGWENKT-PVAVHDDUSA-N 0 0 339.457 1.941 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCC(=O)N1CCCCC1 ZINC000172068515 302775101 /nfs/dbraw/zinc/77/51/01/302775101.db2.gz PCYMBBAUDPGGBO-OAHLLOKOSA-N 0 0 347.463 1.896 10 0 EDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cn1 ZINC000194775345 302936273 /nfs/dbraw/zinc/93/62/73/302936273.db2.gz GZIBOXZLVFIDGI-GFCCVEGCSA-N 0 0 349.441 1.951 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)o1 ZINC000043724460 440794791 /nfs/dbraw/zinc/79/47/91/440794791.db2.gz OQUWDSAEZDWYQY-HNNXBMFYSA-N 0 0 348.447 1.599 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(N)=O)C(C)C ZINC000070690044 441115361 /nfs/dbraw/zinc/11/53/61/441115361.db2.gz HBGAGUFFPNBTQX-CJNGLKHVSA-N 0 0 333.432 1.553 10 0 EDAERN C[C@@H](CNC(=O)N(C)CCCOc1ccccc1)N1CCOCC1 ZINC000046262539 441096577 /nfs/dbraw/zinc/09/65/77/441096577.db2.gz RWNFIVGXPQVLEH-INIZCTEOSA-N 0 0 335.448 1.818 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000103386693 441180416 /nfs/dbraw/zinc/18/04/16/441180416.db2.gz JLCFCHPQSGVZQC-LBPRGKRZSA-N 0 0 342.461 1.662 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C)Cc2ccccc21 ZINC000103447244 441181255 /nfs/dbraw/zinc/18/12/55/441181255.db2.gz NAVDKYPWNLGPPY-CYBMUJFWSA-N 0 0 327.384 1.877 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccnc(N3CCCCC3)c2)C1 ZINC000104784327 441208282 /nfs/dbraw/zinc/20/82/82/441208282.db2.gz WIPLUFMPUPZWKO-INIZCTEOSA-N 0 0 347.463 1.202 10 0 EDAERN O=C(NCCc1ccccn1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000047634914 441213029 /nfs/dbraw/zinc/21/30/29/441213029.db2.gz RVNIJXVWWDLPQL-OAHLLOKOSA-N 0 0 345.424 1.842 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000105282641 441248215 /nfs/dbraw/zinc/24/82/15/441248215.db2.gz NJZYHSNQUJYEOF-HNNXBMFYSA-N 0 0 332.404 1.487 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(S(N)(=O)=O)s2)o1 ZINC000048004862 441250029 /nfs/dbraw/zinc/25/00/29/441250029.db2.gz CINJBKIOFBNGEY-SECBINFHSA-N 0 0 343.430 1.857 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000060916764 441261964 /nfs/dbraw/zinc/26/19/64/441261964.db2.gz YZTFVQDSJNHRGW-AWEZNQCLSA-N 0 0 325.434 1.303 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000105815692 441276771 /nfs/dbraw/zinc/27/67/71/441276771.db2.gz BNBZVGSPAYWCJE-UHFFFAOYSA-N 0 0 326.400 1.983 10 0 EDAERN CCOc1ccccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105816879 441276959 /nfs/dbraw/zinc/27/69/59/441276959.db2.gz XPFTYJXFFHDFAR-UHFFFAOYSA-N 0 0 338.415 1.845 10 0 EDAERN Cc1ncc(CN2CCN(CC(=O)Nc3nncs3)CC2)s1 ZINC000105814611 441277063 /nfs/dbraw/zinc/27/70/63/441277063.db2.gz PWNCUQYXIQVDFG-UHFFFAOYSA-N 0 0 338.462 1.059 10 0 EDAERN CCCCCNC(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864345 441295846 /nfs/dbraw/zinc/29/58/46/441295846.db2.gz RWSGYKLGVCOZPU-KGLIPLIRSA-N 0 0 337.468 1.752 10 0 EDAERN C[C@@H]1CCCN(C(=O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000105820441 441279110 /nfs/dbraw/zinc/27/91/10/441279110.db2.gz OUVIXYWQYHIIHO-IEBWSBKVSA-N 0 0 345.487 1.596 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)c3ccnc(F)c3)CC2)n1 ZINC000105820313 441279243 /nfs/dbraw/zinc/27/92/43/441279243.db2.gz VMRAVESPNREQMB-UHFFFAOYSA-N 0 0 345.378 1.680 10 0 EDAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105823076 441280262 /nfs/dbraw/zinc/28/02/62/441280262.db2.gz SKKBTVZMRHOJEI-ZNMIVQPWSA-N 0 0 347.459 1.603 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3ccnn3C)CC2)cn1 ZINC000105834589 441287501 /nfs/dbraw/zinc/28/75/01/441287501.db2.gz IWWYYPIKSQMCCM-UHFFFAOYSA-N 0 0 330.436 1.375 10 0 EDAERN CCOCCN1CCN(CC(=O)NCCc2ccccc2C)C[C@@H]1C ZINC000105834950 441287620 /nfs/dbraw/zinc/28/76/20/441287620.db2.gz YIWSUXDJJYTTLQ-SFHVURJKSA-N 0 0 347.503 1.696 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105853785 441292466 /nfs/dbraw/zinc/29/24/66/441292466.db2.gz LAJKSEKVHHSFKL-ZAMGYDSWSA-N 0 0 332.429 1.883 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)CC1 ZINC000106395228 441338388 /nfs/dbraw/zinc/33/83/88/441338388.db2.gz AXHYVLHTUCQYMX-DNVCBOLYSA-N 0 0 346.427 1.073 10 0 EDAERN CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000048986371 441340293 /nfs/dbraw/zinc/34/02/93/441340293.db2.gz IFXZVQIHKPDIDE-NSHDSACASA-N 0 0 329.356 1.764 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000105865731 441296758 /nfs/dbraw/zinc/29/67/58/441296758.db2.gz VTNLXOYZJMYFJR-OAHLLOKOSA-N 0 0 347.507 1.413 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(Cc2nnc(C)o2)CC1 ZINC000105870355 441300345 /nfs/dbraw/zinc/30/03/45/441300345.db2.gz RYJVIMUKFJHSTM-UHFFFAOYSA-N 0 0 338.843 1.645 10 0 EDAERN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889555 441308706 /nfs/dbraw/zinc/30/87/06/441308706.db2.gz KOCUGYLNLARXLL-YOEHRIQHSA-N 0 0 346.406 1.428 10 0 EDAERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1ccc(F)cc1 ZINC000105890328 441309135 /nfs/dbraw/zinc/30/91/35/441309135.db2.gz YTIPAMZBGPHBRD-INIZCTEOSA-N 0 0 332.379 1.752 10 0 EDAERN C[NH+](C)C[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CCO1 ZINC000105924818 441317222 /nfs/dbraw/zinc/31/72/22/441317222.db2.gz ORNCXKALNDZMNG-HNNXBMFYSA-N 0 0 325.840 1.931 10 0 EDAERN O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1[O-])N1CCOCC1 ZINC000106903520 441386298 /nfs/dbraw/zinc/38/62/98/441386298.db2.gz OENHMYODRRWIOL-UHFFFAOYSA-N 0 0 347.198 1.678 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)c1ccccc1 ZINC000083698624 441368708 /nfs/dbraw/zinc/36/87/08/441368708.db2.gz LILNJVJLTFTKFF-CQSZACIVSA-N 0 0 342.403 1.151 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cn2c(cccc2C)n1 ZINC000083721943 441371201 /nfs/dbraw/zinc/37/12/01/441371201.db2.gz HORRQURPNBIWJK-AWEZNQCLSA-N 0 0 339.403 1.877 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@](C)(O)c1ccccc1 ZINC000083749634 441374326 /nfs/dbraw/zinc/37/43/26/441374326.db2.gz YAXIVHYQMCQFPK-YOEHRIQHSA-N 0 0 329.404 1.628 10 0 EDAERN CSc1nc(C)c(CCc2nc(-c3cnccn3)no2)c(=O)[nH]1 ZINC000084511236 441405862 /nfs/dbraw/zinc/40/58/62/441405862.db2.gz XHIYIYQUZXNLRV-UHFFFAOYSA-N 0 0 330.373 1.425 10 0 EDAERN CC(C)NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226609 441408799 /nfs/dbraw/zinc/40/87/99/441408799.db2.gz TTZSLWKRWVJLMO-UHFFFAOYSA-N 0 0 333.436 1.054 10 0 EDAERN C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCO1 ZINC000027879991 441417111 /nfs/dbraw/zinc/41/71/11/441417111.db2.gz XAMVKEAQXQJPSJ-CJNGLKHVSA-N 0 0 332.400 1.876 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1F ZINC000028410307 441432053 /nfs/dbraw/zinc/43/20/53/441432053.db2.gz ZAEITWRYHPVDBA-AWEZNQCLSA-N 0 0 328.409 1.646 10 0 EDAERN CN(CC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ncnc2nc[nH]c21 ZINC000108344815 441447549 /nfs/dbraw/zinc/44/75/49/441447549.db2.gz YXVBLHUZAJYDGK-OLZOCXBDSA-N 0 0 328.420 1.828 10 0 EDAERN O=C1NC(=O)[C@H](Cc2ccc(OCCNc3ncccn3)cc2)S1 ZINC000027319030 441399380 /nfs/dbraw/zinc/39/93/80/441399380.db2.gz BZYJVHSYHURRND-ZDUSSCGKSA-N 0 0 344.396 1.862 10 0 EDAERN CC(C)CCNS(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1 ZINC000065128904 441403825 /nfs/dbraw/zinc/40/38/25/441403825.db2.gz UWPVAGMMYQNISF-UHFFFAOYSA-N 0 0 341.458 1.833 10 0 EDAERN NC(=O)C1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000109086466 441487690 /nfs/dbraw/zinc/48/76/90/441487690.db2.gz NTEVHAMBNTUKFO-VXGBXAGGSA-N 0 0 338.354 1.467 10 0 EDAERN CCc1nc(S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)n[nH]1 ZINC000086170446 441459741 /nfs/dbraw/zinc/45/97/41/441459741.db2.gz JNYWXIIPXKYJOA-MNOVXSKESA-N 0 0 336.417 1.407 10 0 EDAERN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cc(C2CC2)on1 ZINC000065565460 441461233 /nfs/dbraw/zinc/46/12/33/441461233.db2.gz GJFHZGHONLWPHW-UKRRQHHQSA-N 0 0 335.404 1.019 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(OCC(F)F)n1 ZINC000089823557 441582984 /nfs/dbraw/zinc/58/29/84/441582984.db2.gz HUDVMDVMNVEQIX-JTQLQIEISA-N 0 0 337.330 1.890 10 0 EDAERN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2c[nH]c(=O)cn2)cc1 ZINC000076068331 441593056 /nfs/dbraw/zinc/59/30/56/441593056.db2.gz IBQZLWDRTFTQDU-PBHICJAKSA-N 0 0 327.384 1.976 10 0 EDAERN O=C(CNC(=O)OCC(F)(F)F)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113894064 441626639 /nfs/dbraw/zinc/62/66/39/441626639.db2.gz ALXXBMPFKPTAPL-SNVBAGLBSA-N 0 0 334.298 1.752 10 0 EDAERN COCc1nn2c(nc(COC(=O)c3cccs3)cc2=O)s1 ZINC000041077299 441631529 /nfs/dbraw/zinc/63/15/29/441631529.db2.gz CNGNVLIKZCAVEK-UHFFFAOYSA-N 0 0 337.382 1.716 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000114503918 441665649 /nfs/dbraw/zinc/66/56/49/441665649.db2.gz CMXBVXJSFDXHTE-KBPBESRZSA-N 0 0 336.388 1.893 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3cnn(CC)c3)CC2)n1 ZINC000114330911 441646186 /nfs/dbraw/zinc/64/61/86/441646186.db2.gz HHMOJRPAZFHOCK-UHFFFAOYSA-N 0 0 330.392 1.054 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC2 ZINC000114869789 441693747 /nfs/dbraw/zinc/69/37/47/441693747.db2.gz NWFSIFQXGABDAN-CXAGYDPISA-N 0 0 349.479 1.458 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccn(-c3ccccc3)n1)CC2 ZINC000114867080 441693817 /nfs/dbraw/zinc/69/38/17/441693817.db2.gz JNWKHMTXQGRBQU-CYBMUJFWSA-N 0 0 336.399 1.771 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)c1ccc3c(c1)CCC3)CC2 ZINC000114872851 441694603 /nfs/dbraw/zinc/69/46/03/441694603.db2.gz KNYUKGSUCMZSNR-HNNXBMFYSA-N 0 0 338.411 1.643 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)OCc1ccccc1)CC2 ZINC000114872594 441694642 /nfs/dbraw/zinc/69/46/42/441694642.db2.gz YVLDPMPIEYEKTP-DZGCQCFKSA-N 0 0 328.416 1.877 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)CC2 ZINC000114950052 441702626 /nfs/dbraw/zinc/70/26/26/441702626.db2.gz OLNRZBUNVUHELA-AWEZNQCLSA-N 0 0 349.385 1.975 10 0 EDAERN CC(=O)N[C@H]1CCCN(CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000136592304 441706606 /nfs/dbraw/zinc/70/66/06/441706606.db2.gz CBGZMJGAWSGGRZ-NSHDSACASA-N 0 0 325.438 1.201 10 0 EDAERN CC(C)(C)C(=O)NCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121565470 441732566 /nfs/dbraw/zinc/73/25/66/441732566.db2.gz POAYLVSPLCMXLJ-DYVFJYSZSA-N 0 0 325.453 1.485 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cn(CC(N)=O)nn2)o1 ZINC000173404288 441735596 /nfs/dbraw/zinc/73/55/96/441735596.db2.gz GCUHBKPAYVWXJD-CYBMUJFWSA-N 0 0 331.376 1.286 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)CN1CCCC[C@@H]1c1cn[nH]c1)C(=O)OC ZINC000173400810 441736094 /nfs/dbraw/zinc/73/60/94/441736094.db2.gz ODJKNJIKLTYEJJ-JGGQBBKZSA-N 0 0 336.436 1.641 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)n1 ZINC000173497285 441769385 /nfs/dbraw/zinc/76/93/85/441769385.db2.gz FECQPVGWUFTWIV-STQMWFEESA-N 0 0 346.460 1.947 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCc1cnn(C)c1)CC2 ZINC000158682569 441755317 /nfs/dbraw/zinc/75/53/17/441755317.db2.gz CWMZBVPPRYWYOC-CQSZACIVSA-N 0 0 345.451 1.382 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C2)cn1 ZINC000116432530 441821721 /nfs/dbraw/zinc/82/17/21/441821721.db2.gz MNNHRKFWRXOFAV-LBPRGKRZSA-N 0 0 342.465 1.132 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCc3cccc(C(N)=O)c3)C2)cn1 ZINC000116417696 441820371 /nfs/dbraw/zinc/82/03/71/441820371.db2.gz ZOFXJRNPNZJODT-AWEZNQCLSA-N 0 0 327.388 1.218 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc(OC(F)F)c3)CCO2)[nH]1 ZINC000173551261 441788263 /nfs/dbraw/zinc/78/82/63/441788263.db2.gz XFXJNUNPVCNNIB-LBPRGKRZSA-N 0 0 338.314 1.928 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](c2ccccc2F)N2CCOCC2)c1 ZINC000173554234 441789192 /nfs/dbraw/zinc/78/91/92/441789192.db2.gz KBWYVAXCASADJZ-KRWDZBQOSA-N 0 0 346.406 1.520 10 0 EDAERN CN(CC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(=O)c1cccs1 ZINC000116124258 441795196 /nfs/dbraw/zinc/79/51/96/441795196.db2.gz WWEXSBYRVAUFPR-LBPRGKRZSA-N 0 0 332.429 1.570 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)ccc1C ZINC000173600044 441802653 /nfs/dbraw/zinc/80/26/53/441802653.db2.gz WHMVMNAWEIMMSQ-HNNXBMFYSA-N 0 0 343.387 1.594 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116228746 441803515 /nfs/dbraw/zinc/80/35/15/441803515.db2.gz JEOGFYOYTVYJOR-UONOGXRCSA-N 0 0 341.415 1.946 10 0 EDAERN C[C@@H](N[C@H](C)c1nnc2n1CCCC2)C(=O)NCc1ccccc1 ZINC000173630014 441808736 /nfs/dbraw/zinc/80/87/36/441808736.db2.gz TXPZXJOWQAZZBJ-ZIAGYGMSSA-N 0 0 327.432 1.970 10 0 EDAERN CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC[C@@H]1c1ccco1 ZINC000116297703 441809020 /nfs/dbraw/zinc/80/90/20/441809020.db2.gz KIMNFNGLPQKTIB-CYBMUJFWSA-N 0 0 346.387 1.965 10 0 EDAERN COc1cccc(CNC(=O)CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116314699 441811315 /nfs/dbraw/zinc/81/13/15/441811315.db2.gz XHKUWLKTVMSRFR-HNNXBMFYSA-N 0 0 328.416 1.534 10 0 EDAERN COC[C@@H](C)CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000139346558 441813689 /nfs/dbraw/zinc/81/36/89/441813689.db2.gz FFNXUMGHBLBUDZ-AAEUAGOBSA-N 0 0 326.418 1.487 10 0 EDAERN COCCN(C)S(=O)(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173966130 441870239 /nfs/dbraw/zinc/87/02/39/441870239.db2.gz JBDWOFFUFQGOSO-CYBMUJFWSA-N 0 0 338.433 1.346 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)N(C)Cc3ccccc3C)CCO2)[nH]1 ZINC000173679930 441822068 /nfs/dbraw/zinc/82/20/68/441822068.db2.gz DTNKSMFHCKTXEG-MRXNPFEDSA-N 0 0 343.431 1.453 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Nc3cnn(C)c3)CC2)cs1 ZINC000116479321 441825935 /nfs/dbraw/zinc/82/59/35/441825935.db2.gz XPSKOSQQFOVFQS-UHFFFAOYSA-N 0 0 334.449 1.925 10 0 EDAERN COCCN(C)S(=O)(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173724515 441830837 /nfs/dbraw/zinc/83/08/37/441830837.db2.gz ONDHGOLBHBOGCI-LLVKDONJSA-N 0 0 332.426 1.153 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000116751917 441838967 /nfs/dbraw/zinc/83/89/67/441838967.db2.gz HGTWSDGHMQEINC-ZDUSSCGKSA-N 0 0 329.360 1.089 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3nncn3c2)C[C@H]1CC ZINC000116769913 441841929 /nfs/dbraw/zinc/84/19/29/441841929.db2.gz IHXUDUSZKVNOND-OAHLLOKOSA-N 0 0 331.420 1.302 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1N1CCOCC1 ZINC000173827228 441846996 /nfs/dbraw/zinc/84/69/96/441846996.db2.gz GOBSRBDZFQUZRJ-AAEUAGOBSA-N 0 0 343.349 1.893 10 0 EDAERN C[C@H]1CN(C(=O)CSCc2ccccn2)C[C@H]1N1CCOCC1 ZINC000173843602 441848985 /nfs/dbraw/zinc/84/89/85/441848985.db2.gz GNPWHKYIAQORHP-GOEBONIOSA-N 0 0 335.473 1.494 10 0 EDAERN Cc1nc(C)c(CCNC(=O)N2CC[C@H](N3CCOCC3)C2)s1 ZINC000173848480 441850262 /nfs/dbraw/zinc/85/02/62/441850262.db2.gz SELJDMPHTXMFOC-AWEZNQCLSA-N 0 0 338.477 1.419 10 0 EDAERN Cc1ccc(OCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)c1 ZINC000173860292 441851272 /nfs/dbraw/zinc/85/12/72/441851272.db2.gz ZNKOWOCEQDIBEY-DLBZAZTESA-N 0 0 332.444 1.861 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000124374076 441922329 /nfs/dbraw/zinc/92/23/29/441922329.db2.gz XWXGOENDWRPKBQ-SWLSCSKDSA-N 0 0 334.395 1.500 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccccc3)C2=O)n(C)n1 ZINC000174474895 441928956 /nfs/dbraw/zinc/92/89/56/441928956.db2.gz LSLDDZKTBJHBBE-OAHLLOKOSA-N 0 0 341.415 1.723 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nnc(C)s2)ncn1 ZINC000174545316 441937131 /nfs/dbraw/zinc/93/71/31/441937131.db2.gz ODLZAQFFSXRVDL-SNVBAGLBSA-N 0 0 348.436 1.469 10 0 EDAERN Cc1nnc(-c2cccc(C(=O)NC[C@@H](C)N3CCOCC3)c2)o1 ZINC000174590695 441941789 /nfs/dbraw/zinc/94/17/89/441941789.db2.gz BHRDHUOJKDPGLQ-GFCCVEGCSA-N 0 0 330.388 1.496 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC000124687691 441944942 /nfs/dbraw/zinc/94/49/42/441944942.db2.gz FROSSTPUKYHWMS-UHFFFAOYSA-N 0 0 340.431 1.830 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000174697274 441954879 /nfs/dbraw/zinc/95/48/79/441954879.db2.gz XRQHBBNCBGVLHY-NXEZZACHSA-N 0 0 334.376 1.956 10 0 EDAERN CC(=O)NC1(C(=O)N2CCC(c3ccnn3C)CC2)CCCCC1 ZINC000124806574 441955894 /nfs/dbraw/zinc/95/58/94/441955894.db2.gz UZAKDJCKZFVBFV-UHFFFAOYSA-N 0 0 332.448 1.965 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)c1cccs1)c1nnc2n1CCCC2 ZINC000150973213 441984792 /nfs/dbraw/zinc/98/47/92/441984792.db2.gz MRHFLQGBPGVJTH-SNVBAGLBSA-N 0 0 333.417 1.283 10 0 EDAERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125130957 441988316 /nfs/dbraw/zinc/98/83/16/441988316.db2.gz SKJAZHZSCWOGRA-KGLIPLIRSA-N 0 0 335.452 1.608 10 0 EDAERN CCC[C@@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)C(=O)OC(C)(C)C ZINC000161549937 442010350 /nfs/dbraw/zinc/01/03/50/442010350.db2.gz KMBWAXDOZDHFSU-CHWSQXEVSA-N 0 0 326.437 1.872 10 0 EDAERN Cc1nc(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)sc1C ZINC000151164126 442018243 /nfs/dbraw/zinc/01/82/43/442018243.db2.gz IZGIPJXRUYQKES-CQSZACIVSA-N 0 0 338.477 1.419 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CCCn1ccnc1 ZINC000161656052 442019986 /nfs/dbraw/zinc/01/99/86/442019986.db2.gz OWLTZAABKLKJEQ-CQSZACIVSA-N 0 0 329.404 1.942 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccnn2C)ncn1 ZINC000125651379 442039762 /nfs/dbraw/zinc/03/97/62/442039762.db2.gz GHMZEXDRHVQRTK-NSHDSACASA-N 0 0 330.396 1.042 10 0 EDAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000125681924 442040476 /nfs/dbraw/zinc/04/04/76/442040476.db2.gz JAPYASMKBJERAF-JHJVBQTASA-N 0 0 327.450 1.190 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000175336853 442044227 /nfs/dbraw/zinc/04/42/27/442044227.db2.gz GPHFDYPITMQNLG-CQSZACIVSA-N 0 0 333.367 1.844 10 0 EDAERN CCOc1ccccc1C(F)(F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000126001691 442068002 /nfs/dbraw/zinc/06/80/02/442068002.db2.gz LYQNOBQPYBANGP-LBPRGKRZSA-N 0 0 328.359 1.624 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCCN1CCCC1=O ZINC000175495466 442074025 /nfs/dbraw/zinc/07/40/25/442074025.db2.gz RVEMBDGWHHBIQU-HNNXBMFYSA-N 0 0 333.436 1.378 10 0 EDAERN COCCOc1cccc(CC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000126283983 442095550 /nfs/dbraw/zinc/09/55/50/442095550.db2.gz XZRGFGRGWXBUSZ-OAHLLOKOSA-N 0 0 330.388 1.497 10 0 EDAERN CCOc1cccc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000120464164 442076650 /nfs/dbraw/zinc/07/66/50/442076650.db2.gz AEFBCWDFNJBMNZ-UHFFFAOYSA-N 0 0 338.415 1.845 10 0 EDAERN COc1ccc2cccc(CC(=O)NC[C@@H]3CN(C)CCO3)c2c1 ZINC000151519349 442077614 /nfs/dbraw/zinc/07/76/14/442077614.db2.gz WXNSCKDXUIXTAA-QGZVFWFLSA-N 0 0 328.412 1.838 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCc3ccc(C)cc3)CCO2)[nH]1 ZINC000175545082 442082913 /nfs/dbraw/zinc/08/29/13/442082913.db2.gz SQJMULJIXSJPDA-OAHLLOKOSA-N 0 0 329.404 1.747 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)c2cn(CCC(C)C)nn2)CC1 ZINC000151709384 442109723 /nfs/dbraw/zinc/10/97/23/442109723.db2.gz MGTDLHXMJLXBOW-UHFFFAOYSA-N 0 0 345.451 1.955 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000175706227 442109778 /nfs/dbraw/zinc/10/97/78/442109778.db2.gz XTJOWOQTRYACHK-MRXNPFEDSA-N 0 0 340.399 1.657 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)nc1 ZINC000120667227 442114146 /nfs/dbraw/zinc/11/41/46/442114146.db2.gz KVXXVDHIZJOFHK-OAHLLOKOSA-N 0 0 327.388 1.525 10 0 EDAERN Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCn3ncnc32)cc1C ZINC000175821886 442128820 /nfs/dbraw/zinc/12/88/20/442128820.db2.gz XCRKVGIOPYBAEH-AWEZNQCLSA-N 0 0 327.388 1.276 10 0 EDAERN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000120814879 442137727 /nfs/dbraw/zinc/13/77/27/442137727.db2.gz KGNXMTUUCYYQRJ-QWRGUYRKSA-N 0 0 348.382 1.158 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCC(=O)NCC(F)(F)F ZINC000175923693 442146481 /nfs/dbraw/zinc/14/64/81/442146481.db2.gz SCTSFNWOIHLSAH-LLVKDONJSA-N 0 0 347.341 1.044 10 0 EDAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000162515204 442099698 /nfs/dbraw/zinc/09/96/98/442099698.db2.gz DXGMBFIYORUJAF-HOCLYGCPSA-N 0 0 344.415 1.477 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCNc1ccc(C)cn1 ZINC000175676174 442103945 /nfs/dbraw/zinc/10/39/45/442103945.db2.gz TVEKVZOHPDZFKW-AWEZNQCLSA-N 0 0 343.435 1.926 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CCN1CCOC ZINC000127454962 442204153 /nfs/dbraw/zinc/20/41/53/442204153.db2.gz CGCAFOBIHIMASP-CQSZACIVSA-N 0 0 336.480 1.900 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1c(C)nn(C)c1C ZINC000176281320 442204232 /nfs/dbraw/zinc/20/42/32/442204232.db2.gz KBMIEMKWHFOPDS-CQSZACIVSA-N 0 0 345.451 1.568 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176099824 442176641 /nfs/dbraw/zinc/17/66/41/442176641.db2.gz RVJJULZZRPINSY-CQSZACIVSA-N 0 0 341.415 1.993 10 0 EDAERN O=C(CSCC(=O)c1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000176129905 442180976 /nfs/dbraw/zinc/18/09/76/442180976.db2.gz FKJDZFCRMBDXRK-ZDUSSCGKSA-N 0 0 330.413 1.845 10 0 EDAERN Cc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)cnn1C1CCOCC1 ZINC000163785206 442181828 /nfs/dbraw/zinc/18/18/28/442181828.db2.gz TTYBOTLWUHJXNR-INIZCTEOSA-N 0 0 348.447 1.090 10 0 EDAERN CN(C)C(=O)c1cccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000127244675 442185081 /nfs/dbraw/zinc/18/50/81/442185081.db2.gz DHKZKAFGOWAYPV-AWEZNQCLSA-N 0 0 341.415 1.532 10 0 EDAERN COc1cc(NCCNC(=O)NCCn2cc(C)cn2)cc(OC)c1 ZINC000127339922 442195023 /nfs/dbraw/zinc/19/50/23/442195023.db2.gz JQFOMQXBFVIZPU-UHFFFAOYSA-N 0 0 347.419 1.620 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)CC2 ZINC000127427332 442201355 /nfs/dbraw/zinc/20/13/55/442201355.db2.gz AJXYBGYUZGTHKD-LLVKDONJSA-N 0 0 330.436 1.616 10 0 EDAERN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H]3CNC(=O)C3)cc2)n1 ZINC000175938586 442150537 /nfs/dbraw/zinc/15/05/37/442150537.db2.gz ALQAPCHACMZELA-UKRRQHHQSA-N 0 0 326.400 1.802 10 0 EDAERN CCSCc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000097001029 442154452 /nfs/dbraw/zinc/15/44/52/442154452.db2.gz LNSPEAJPRWBGQN-MRXNPFEDSA-N 0 0 338.473 1.363 10 0 EDAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000097015663 442155484 /nfs/dbraw/zinc/15/54/84/442155484.db2.gz QNWVFPMXMFLTGZ-CQSZACIVSA-N 0 0 347.396 1.023 10 0 EDAERN COc1ccc(C)nc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000128211521 442252421 /nfs/dbraw/zinc/25/24/21/442252421.db2.gz VQJRCVFSUNHXKQ-OCCSQVGLSA-N 0 0 334.420 1.583 10 0 EDAERN O=C(N1CCCN(Cc2noc(C3CC3)n2)CC1)C1(O)CCCCC1 ZINC000128242259 442254584 /nfs/dbraw/zinc/25/45/84/442254584.db2.gz OXHSLTXRJGRRHZ-UHFFFAOYSA-N 0 0 348.447 1.677 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)ccn1 ZINC000176353931 442213569 /nfs/dbraw/zinc/21/35/69/442213569.db2.gz VGLAYQOTLCMMSB-CQSZACIVSA-N 0 0 342.403 1.676 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000176373788 442215022 /nfs/dbraw/zinc/21/50/22/442215022.db2.gz WJIQJMOQOOYUKO-ZFWWWQNUSA-N 0 0 336.436 1.953 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1cccc(-n2ccnc2)c1 ZINC000176433018 442221052 /nfs/dbraw/zinc/22/10/52/442221052.db2.gz GWGSJVHYHMUUAO-PBHICJAKSA-N 0 0 343.431 1.563 10 0 EDAERN C[C@@H](C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1)n1cncn1 ZINC000176543869 442232369 /nfs/dbraw/zinc/23/23/69/442232369.db2.gz PYMZRVGOXIZMAN-UONOGXRCSA-N 0 0 349.460 1.433 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(c2cccc(O)c2)CC1 ZINC000176587509 442237593 /nfs/dbraw/zinc/23/75/93/442237593.db2.gz ASHBHLXSLJSFED-OAHLLOKOSA-N 0 0 342.403 1.350 10 0 EDAERN COc1ccc(CN(C)C(=O)N[C@@H]2CCCn3ncnc32)cc1O ZINC000176607483 442239368 /nfs/dbraw/zinc/23/93/68/442239368.db2.gz GFRKNFRQGYENPY-GFCCVEGCSA-N 0 0 331.376 1.669 10 0 EDAERN CC(C)C(=O)NCCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000152730109 442240639 /nfs/dbraw/zinc/24/06/39/442240639.db2.gz USIUQNFXLBZDIE-WMLDXEAASA-N 0 0 325.453 1.485 10 0 EDAERN O=C(/C=C/c1ccnc2ccccc12)NC[C@H](O)CN1CCOCC1 ZINC000128058421 442242143 /nfs/dbraw/zinc/24/21/43/442242143.db2.gz BHVXBYPFHAKUCS-JFDDCEBESA-N 0 0 341.411 1.057 10 0 EDAERN CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000153121230 442262384 /nfs/dbraw/zinc/26/23/84/442262384.db2.gz IWIKAPLHKYSXLP-JKSUJKDBSA-N 0 0 342.505 1.991 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000170807371 442267297 /nfs/dbraw/zinc/26/72/97/442267297.db2.gz JIQIOLZCSHNOFF-YOEHRIQHSA-N 0 0 333.432 1.605 10 0 EDAERN CC(C)n1nnnc1CSCCn1cnc2ccccc2c1=O ZINC000176903618 442270702 /nfs/dbraw/zinc/27/07/02/442270702.db2.gz MCSMTJQUXKYMTJ-UHFFFAOYSA-N 0 0 330.417 1.897 10 0 EDAERN CC(C)Cn1ncc(C(=O)NC[C@H](C)N2CCOCC2)c1C1CC1 ZINC000153262342 442271963 /nfs/dbraw/zinc/27/19/63/442271963.db2.gz UAYIWIDFWYJPMD-AWEZNQCLSA-N 0 0 334.464 1.867 10 0 EDAERN COc1ccc(CCNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1F ZINC000170860093 442277207 /nfs/dbraw/zinc/27/72/07/442277207.db2.gz KHQRCUZEQRYHEQ-LLVKDONJSA-N 0 0 334.347 1.905 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000177035328 442288353 /nfs/dbraw/zinc/28/83/53/442288353.db2.gz VBONLTQCEIKHHJ-HUUCEWRRSA-N 0 0 333.432 1.571 10 0 EDAERN CCc1nc(C2(NC(=O)[C@H](CC)N3CCCC3=O)CCCC2)no1 ZINC000177071137 442293829 /nfs/dbraw/zinc/29/38/29/442293829.db2.gz MURNBSUFYABHDO-LBPRGKRZSA-N 0 0 334.420 1.919 10 0 EDAERN C[C@@H](CNC(=O)N1CCOC2(C1)CCCCCC2)N1CCOCC1 ZINC000129017850 442298508 /nfs/dbraw/zinc/29/85/08/442298508.db2.gz LXIIZNADHDASMO-INIZCTEOSA-N 0 0 339.480 1.842 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CSCCS2)C1 ZINC000177266431 442322609 /nfs/dbraw/zinc/32/26/09/442322609.db2.gz UYBUDNMGZFTHAZ-NWDGAFQWSA-N 0 0 326.491 1.853 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CSCCS3)CCO2)c1 ZINC000177281542 442324488 /nfs/dbraw/zinc/32/44/88/442324488.db2.gz PXXJPEKOGOZBPJ-STQMWFEESA-N 0 0 327.475 1.268 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177528811 442353863 /nfs/dbraw/zinc/35/38/63/442353863.db2.gz XVLBJWUUQAWTQA-MRXNPFEDSA-N 0 0 342.399 1.830 10 0 EDAERN COc1cccc([C@@H](O)CNC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177308017 442326747 /nfs/dbraw/zinc/32/67/47/442326747.db2.gz HVRBRTMDBHBTQI-KGLIPLIRSA-N 0 0 331.376 1.154 10 0 EDAERN O=C(NC1CCN(c2ccccn2)CC1)N[C@H]1CCCn2ncnc21 ZINC000177313058 442327625 /nfs/dbraw/zinc/32/76/25/442327625.db2.gz WGJGPRFABZISPW-AWEZNQCLSA-N 0 0 341.419 1.476 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 ZINC000171233446 442331215 /nfs/dbraw/zinc/33/12/15/442331215.db2.gz LHRYAUVLPKVYAT-GJZGRUSLSA-N 0 0 342.399 1.312 10 0 EDAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000171236299 442331853 /nfs/dbraw/zinc/33/18/53/442331853.db2.gz SHRZNOHOYPTBRW-LSDHHAIUSA-N 0 0 348.447 1.808 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000171286410 442338526 /nfs/dbraw/zinc/33/85/26/442338526.db2.gz CUYUGPSPRIMOED-CQSZACIVSA-N 0 0 334.807 1.586 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000171288401 442339112 /nfs/dbraw/zinc/33/91/12/442339112.db2.gz WKTDUYTYWHVUPC-ZDUSSCGKSA-N 0 0 334.807 1.791 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)CC[C@@H](C)O)C(C)C ZINC000177464716 442344472 /nfs/dbraw/zinc/34/44/72/442344472.db2.gz IXBWUYNVDCTXDX-CJNGLKHVSA-N 0 0 336.432 1.679 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000171413422 442346154 /nfs/dbraw/zinc/34/61/54/442346154.db2.gz LSVQYJXEEBKCDZ-GFCCVEGCSA-N 0 0 330.413 1.946 10 0 EDAERN CC1(C)COCCN1CCNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000171095598 442311187 /nfs/dbraw/zinc/31/11/87/442311187.db2.gz YEUMUTSDOWMXTI-OAHLLOKOSA-N 0 0 333.432 1.920 10 0 EDAERN COc1cc2[nH]c(CCCNC(=O)[C@@H]3CNC(=O)C3)cc2c(OC)c1 ZINC000177229387 442316831 /nfs/dbraw/zinc/31/68/31/442316831.db2.gz DZYWKEWCIRALST-NSHDSACASA-N 0 0 345.399 1.370 10 0 EDAERN CCOc1ncccc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177234391 442317599 /nfs/dbraw/zinc/31/75/99/442317599.db2.gz AMFRIVDDQZCDPR-UKRRQHHQSA-N 0 0 334.420 1.665 10 0 EDAERN CC(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177625895 442364094 /nfs/dbraw/zinc/36/40/94/442364094.db2.gz IYMMLZCBEJWZCM-GFCCVEGCSA-N 0 0 327.388 1.471 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCCN3CCOCC3)CC2)cn1 ZINC000154980767 442368439 /nfs/dbraw/zinc/36/84/39/442368439.db2.gz JPHDGOPBTCIYLJ-UHFFFAOYSA-N 0 0 349.479 1.514 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COCc1ccccc1 ZINC000177700888 442372756 /nfs/dbraw/zinc/37/27/56/442372756.db2.gz UADQWPHTEYFINR-CQSZACIVSA-N 0 0 330.388 1.592 10 0 EDAERN C[C@@H](CC(=O)N1CCC[C@@H]1Cn1ccnc1)NC(=O)C1CCCC1 ZINC000177739422 442377890 /nfs/dbraw/zinc/37/78/90/442377890.db2.gz MAJOTWFPESKPPW-GOEBONIOSA-N 0 0 332.448 1.959 10 0 EDAERN O=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1CCc2ncnn2C1 ZINC000155352230 442390072 /nfs/dbraw/zinc/39/00/72/442390072.db2.gz VTASWOBWLRUACB-SSDOTTSWSA-N 0 0 346.338 1.568 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000177866782 442392496 /nfs/dbraw/zinc/39/24/96/442392496.db2.gz WSFWRIORYPBUAQ-CYBMUJFWSA-N 0 0 339.442 1.997 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1 ZINC000155421270 442397467 /nfs/dbraw/zinc/39/74/67/442397467.db2.gz ORFXXOBGBCMCTM-AWEZNQCLSA-N 0 0 344.371 1.940 10 0 EDAERN CC[C@H](C)NC(=O)CCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000132924700 442403183 /nfs/dbraw/zinc/40/31/83/442403183.db2.gz CQUXWXOKECGTKP-QWHCGFSZSA-N 0 0 334.420 1.618 10 0 EDAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCS[C@@H](C)C2)c1 ZINC000171574786 442358808 /nfs/dbraw/zinc/35/88/08/442358808.db2.gz QWUSZMBWIPKCOG-NSHDSACASA-N 0 0 328.459 1.481 10 0 EDAERN O=C(NCCOCc1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000177570408 442358862 /nfs/dbraw/zinc/35/88/62/442358862.db2.gz ONCYKPKCJOQOCP-KRWDZBQOSA-N 0 0 333.432 1.319 10 0 EDAERN CCOC(=O)[C@@H](Cc1ccccc1)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000154826724 442358925 /nfs/dbraw/zinc/35/89/25/442358925.db2.gz UESXXCQGBCDVOU-HZPDHXFCSA-N 0 0 342.443 1.919 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(F)c3)C2)no1 ZINC000177590984 442360214 /nfs/dbraw/zinc/36/02/14/442360214.db2.gz HOKBZVROQZTXQJ-LBPRGKRZSA-N 0 0 346.362 1.937 10 0 EDAERN CCc1[nH]c(C(=O)N[C@@H]2CCCn3ncnc32)c(C)c1C(=O)OC ZINC000177601623 442360921 /nfs/dbraw/zinc/36/09/21/442360921.db2.gz DKLHLKHICDDRRX-LLVKDONJSA-N 0 0 331.376 1.529 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C)CCN1C[C@@H](C)O ZINC000177614334 442362862 /nfs/dbraw/zinc/36/28/62/442362862.db2.gz QMTOYOPBXITNMR-HUUCEWRRSA-N 0 0 333.432 1.237 10 0 EDAERN CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000133219313 442408772 /nfs/dbraw/zinc/40/87/72/442408772.db2.gz HRHRVGVMEFUXMM-IRXDYDNUSA-N 0 0 340.489 1.904 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3cncc(O)c3)CC2)cn1 ZINC000172200971 442422691 /nfs/dbraw/zinc/42/26/91/442422691.db2.gz RBWFMZBIDHPICP-UHFFFAOYSA-N 0 0 343.431 1.697 10 0 EDAERN COc1ccc(F)c(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000155746712 442424066 /nfs/dbraw/zinc/42/40/66/442424066.db2.gz DQGQGIPLMJXKKL-UHFFFAOYSA-N 0 0 346.362 1.902 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCN(Cc2cccc(C)c2)CC1)C(C)C ZINC000178413952 442431246 /nfs/dbraw/zinc/43/12/46/442431246.db2.gz ZNNCSFSZDVRRMT-QGZVFWFLSA-N 0 0 346.475 1.593 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCC(=O)N1CCCc2ccccc21)C(C)C ZINC000178439371 442433679 /nfs/dbraw/zinc/43/36/79/442433679.db2.gz QHGZOKTYUJBQIU-MRXNPFEDSA-N 0 0 346.431 1.036 10 0 EDAERN CC(C)c1noc(CCC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000134133768 442452341 /nfs/dbraw/zinc/45/23/41/442452341.db2.gz VSMMFXWCTXTIAD-LBPRGKRZSA-N 0 0 346.435 1.972 10 0 EDAERN CCCCOc1ncccc1CNC(=O)N1CCC[C@H]1C(=O)NC ZINC000156627420 442503266 /nfs/dbraw/zinc/50/32/66/442503266.db2.gz YZHHOETYHUUHNO-AWEZNQCLSA-N 0 0 334.420 1.681 10 0 EDAERN COc1ccc(-n2ccc(C(=O)N3CCCNC(=O)[C@@H]3C)n2)cc1 ZINC000191763238 442507377 /nfs/dbraw/zinc/50/73/77/442507377.db2.gz OWRAVERRAXUCGZ-LBPRGKRZSA-N 0 0 328.372 1.232 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)COc3cccc(C=O)c3)CCO2)cn1 ZINC000191775895 442508948 /nfs/dbraw/zinc/50/89/48/442508948.db2.gz MFMLXDPPZHEUFE-QGZVFWFLSA-N 0 0 343.383 1.694 10 0 EDAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C[C@H](O)CN1CCCC1=O ZINC000172451181 442464694 /nfs/dbraw/zinc/46/46/94/442464694.db2.gz OBSVVZBHYBVULQ-DLBZAZTESA-N 0 0 348.443 1.076 10 0 EDAERN CS(=O)(=O)CCN(C(=O)N[C@H]1CCOc2ccccc21)C1CC1 ZINC000178775474 442481808 /nfs/dbraw/zinc/48/18/08/442481808.db2.gz VZHKYCVFJPCNNV-AWEZNQCLSA-N 0 0 338.429 1.729 10 0 EDAERN O=C(c1ccc2c(c1)OCCCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000172761822 442537055 /nfs/dbraw/zinc/53/70/55/442537055.db2.gz ZDPPGMLZCQKSTI-HNNXBMFYSA-N 0 0 332.400 1.395 10 0 EDAERN O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172762214 442537191 /nfs/dbraw/zinc/53/71/91/442537191.db2.gz RWDWFRJNTMBUHF-QGZVFWFLSA-N 0 0 343.427 1.360 10 0 EDAERN O=C(c1cc(-c2cccs2)on1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760625 442537208 /nfs/dbraw/zinc/53/72/08/442537208.db2.gz NSKABIXHOYHBIW-GFCCVEGCSA-N 0 0 333.413 1.950 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cccc(C(N)=O)c2)C12CCOCC2 ZINC000186455069 442537555 /nfs/dbraw/zinc/53/75/55/442537555.db2.gz XUELBXSQLPXJIL-GJZGRUSLSA-N 0 0 332.400 1.490 10 0 EDAERN COCCOc1ccccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767976 442539290 /nfs/dbraw/zinc/53/92/90/442539290.db2.gz WUKPGHVLHFOCNY-OAHLLOKOSA-N 0 0 334.416 1.259 10 0 EDAERN CCOCCC(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191912536 442539335 /nfs/dbraw/zinc/53/93/35/442539335.db2.gz RGNJXNKMVBNZAJ-UHFFFAOYSA-N 0 0 328.453 1.678 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3cn(C)nc3-c3cccnc3)CCO2)[nH]1 ZINC000180108725 442542972 /nfs/dbraw/zinc/54/29/72/442542972.db2.gz SWTPOQNOGXFLKE-HNNXBMFYSA-N 0 0 339.403 1.482 10 0 EDAERN CC(C)(C)OC(=O)[C@H](NCC(=O)NC1CCOCC1)c1ccccc1 ZINC000180140123 442547564 /nfs/dbraw/zinc/54/75/64/442547564.db2.gz CDYJHSXUYQQMMU-QGZVFWFLSA-N 0 0 348.443 1.954 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCOC1)c1cccs1 ZINC000179018693 442553104 /nfs/dbraw/zinc/55/31/04/442553104.db2.gz FNDCQPWGEPAUBF-LSDHHAIUSA-N 0 0 344.436 1.994 10 0 EDAERN COCCN1CCN(C(=O)c2ccnc(OCC(F)F)c2)C[C@@H]1C ZINC000135096953 442554375 /nfs/dbraw/zinc/55/43/75/442554375.db2.gz IZJMEAKJEGPRFR-LBPRGKRZSA-N 0 0 343.374 1.518 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000186341796 442516168 /nfs/dbraw/zinc/51/61/68/442516168.db2.gz RQIZHZSKQDUYPH-HNNXBMFYSA-N 0 0 333.363 1.501 10 0 EDAERN CCC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[NH+](C)C ZINC000156789580 442521037 /nfs/dbraw/zinc/52/10/37/442521037.db2.gz MVFFLHXNROGTFK-AWEZNQCLSA-N 0 0 341.477 1.914 10 0 EDAERN COCCN1CCN(C(=O)c2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000180014194 442529303 /nfs/dbraw/zinc/52/93/03/442529303.db2.gz HNWCDRGWWOPVSY-OAHLLOKOSA-N 0 0 342.443 1.880 10 0 EDAERN C[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nnc2n1CCCC2 ZINC000135253243 442573181 /nfs/dbraw/zinc/57/31/81/442573181.db2.gz WFKJIMINHHKCKV-BXUZGUMPSA-N 0 0 340.383 1.573 10 0 EDAERN Cc1[nH]nc2ncc(C(=O)N[C@H]3CCCN(c4cccnn4)C3)cc12 ZINC000135286172 442576565 /nfs/dbraw/zinc/57/65/65/442576565.db2.gz LPSXECVITKCXAE-ZDUSSCGKSA-N 0 0 337.387 1.455 10 0 EDAERN COc1cccc(OCC(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000135297987 442576940 /nfs/dbraw/zinc/57/69/40/442576940.db2.gz VECVASLKCZROOG-AWEZNQCLSA-N 0 0 342.399 1.649 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cnn(C(C)C)c3C)CCO2)[nH]1 ZINC000180323010 442581504 /nfs/dbraw/zinc/58/15/04/442581504.db2.gz CMQKVTIOFKDZIJ-CYBMUJFWSA-N 0 0 332.408 1.667 10 0 EDAERN CCN(C[C@H](O)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157427504 442582391 /nfs/dbraw/zinc/58/23/91/442582391.db2.gz GGSOJQPUHDXLFF-CVEARBPZSA-N 0 0 327.446 1.073 10 0 EDAERN CC(C)CCn1cc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)nn1 ZINC000135363076 442586324 /nfs/dbraw/zinc/58/63/24/442586324.db2.gz VZVPIJAXVXXPHK-LBPRGKRZSA-N 0 0 331.424 1.743 10 0 EDAERN COCCCOCC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000180457555 442605855 /nfs/dbraw/zinc/60/58/55/442605855.db2.gz CNHUEPUJYRYSOA-UHFFFAOYSA-N 0 0 341.477 1.539 10 0 EDAERN COC(=O)c1ccccc1CS(=O)(=O)NCCn1cc(C)cn1 ZINC000157706497 442606287 /nfs/dbraw/zinc/60/62/87/442606287.db2.gz VZUJBQWKPPRXEG-UHFFFAOYSA-N 0 0 337.401 1.098 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)N[C@@H]2CCOC2)c2cccs2)CCO1 ZINC000179072849 442565654 /nfs/dbraw/zinc/56/56/54/442565654.db2.gz DYZSBXWCRJWMGW-MCIONIFRSA-N 0 0 339.461 1.598 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C)C(C)C ZINC000179077284 442567277 /nfs/dbraw/zinc/56/72/77/442567277.db2.gz RSRBRGWSVBVSNP-GFCCVEGCSA-N 0 0 325.796 1.474 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C)c2ncccc12)C(C)C ZINC000179080762 442567846 /nfs/dbraw/zinc/56/78/46/442567846.db2.gz ZKIXTWFHHBFSEC-CQSZACIVSA-N 0 0 342.399 1.369 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000180260885 442568188 /nfs/dbraw/zinc/56/81/88/442568188.db2.gz NODIUVBQBBYQEX-NRXISQOPSA-N 0 0 348.447 1.485 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cncc(Cl)n2)ncn1 ZINC000192358658 442639509 /nfs/dbraw/zinc/63/95/09/442639509.db2.gz WUTVDCKIKOEQIP-JTQLQIEISA-N 0 0 347.810 1.361 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1O ZINC000136019060 442646579 /nfs/dbraw/zinc/64/65/79/442646579.db2.gz FPTCRPVEGLREMH-NXEZZACHSA-N 0 0 333.431 1.507 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C)c1F ZINC000180697950 442650057 /nfs/dbraw/zinc/65/00/57/442650057.db2.gz PEPJWCXAVOOBBY-GFCCVEGCSA-N 0 0 331.351 1.624 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)COc1c(C)cccc1C ZINC000192186473 442610310 /nfs/dbraw/zinc/61/03/10/442610310.db2.gz WCVQUUDASBNLLA-NUEKZKHPSA-N 0 0 334.416 1.169 10 0 EDAERN COCCN1C[C@@H](C(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1=O ZINC000157769464 442611972 /nfs/dbraw/zinc/61/19/72/442611972.db2.gz ZYDCWAPLRFMGQC-XJKSGUPXSA-N 0 0 334.391 1.814 10 0 EDAERN O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000157771967 442613202 /nfs/dbraw/zinc/61/32/02/442613202.db2.gz VCVYDEHBSVAMGW-RCLKMUNOSA-N 0 0 332.429 1.991 10 0 EDAERN CCCC[C@H](N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OC ZINC000179335956 442625162 /nfs/dbraw/zinc/62/51/62/442625162.db2.gz XFPMPOKNUOUYGG-KBPBESRZSA-N 0 0 336.436 1.545 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(OCC(F)F)c1 ZINC000157941447 442630926 /nfs/dbraw/zinc/63/09/26/442630926.db2.gz JJUZMBXFUXVENH-ZDUSSCGKSA-N 0 0 341.358 1.751 10 0 EDAERN CCCOCc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000192770316 442685114 /nfs/dbraw/zinc/68/51/14/442685114.db2.gz LYPHXCFANHCZLF-IAGOWNOFSA-N 0 0 334.416 1.211 10 0 EDAERN CO[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C1 ZINC000187737386 442689894 /nfs/dbraw/zinc/68/98/94/442689894.db2.gz PBTRBTQXFKWYSQ-RWMBFGLXSA-N 0 0 330.400 1.971 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC(=O)N1CCCCC1)CC2 ZINC000181473188 442699479 /nfs/dbraw/zinc/69/94/79/442699479.db2.gz CRUPIRRERGDQRD-ZDUSSCGKSA-N 0 0 348.451 1.028 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](CCO)c1ccco1)CC2 ZINC000187311259 442669209 /nfs/dbraw/zinc/66/92/09/442669209.db2.gz SSRYIOGOMAKYHX-STQMWFEESA-N 0 0 347.419 1.732 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NCc1cc(C(N)=O)co1 ZINC000187337557 442670697 /nfs/dbraw/zinc/67/06/97/442670697.db2.gz BEBXFHOPDGWNKP-LBPRGKRZSA-N 0 0 331.372 1.783 10 0 EDAERN CCc1nnc(CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)n1C ZINC000181913292 442721466 /nfs/dbraw/zinc/72/14/66/442721466.db2.gz QZEJHSBPMAYZFB-LLVKDONJSA-N 0 0 337.449 1.136 10 0 EDAERN CC[C@@H]1CN(C(=O)NCc2ccc(C)cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000181974990 442724264 /nfs/dbraw/zinc/72/42/64/442724264.db2.gz AYQOQIVCHGCDOY-NVXWUHKLSA-N 0 0 349.475 1.990 10 0 EDAERN C[C@@H](NC(=O)c1ccc(N(C)C)nc1)c1ccc(S(N)(=O)=O)cc1 ZINC000193326313 442733349 /nfs/dbraw/zinc/73/33/49/442733349.db2.gz IZQNNAQMAHFBAT-LLVKDONJSA-N 0 0 348.428 1.286 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000188291521 442734339 /nfs/dbraw/zinc/73/43/39/442734339.db2.gz DHMRGWJKVVYNPI-VHSXEESVSA-N 0 0 337.342 1.264 10 0 EDAERN Cc1cnc(NC(=O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000188293739 442734592 /nfs/dbraw/zinc/73/45/92/442734592.db2.gz PRACIGYCGGHQBJ-JTQLQIEISA-N 0 0 348.432 1.236 10 0 EDAERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193373941 442737072 /nfs/dbraw/zinc/73/70/72/442737072.db2.gz JXSOYVLOEHPJIB-KZNAEPCWSA-N 0 0 332.444 1.756 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCC2(C)Cc3ccccc3C2)CC1 ZINC000182137081 442739183 /nfs/dbraw/zinc/73/91/83/442739183.db2.gz SOBOOAHPMYRNAA-SFHVURJKSA-N 0 0 345.487 1.890 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000188487683 442755540 /nfs/dbraw/zinc/75/55/40/442755540.db2.gz ZYHIDNLKZNXCSU-KWCYVHTRSA-N 0 0 338.404 1.461 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000188092497 442710653 /nfs/dbraw/zinc/71/06/53/442710653.db2.gz LLOHGEVUQGRYCG-CYBMUJFWSA-N 0 0 349.394 1.771 10 0 EDAERN CCc1nc([C@H](C)NC(=O)N2CCN(C[C@H](O)CC)CC2)cs1 ZINC000181746947 442714568 /nfs/dbraw/zinc/71/45/68/442714568.db2.gz LCJUGSKSSCGDCV-QWHCGFSZSA-N 0 0 340.493 1.865 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccnc(OCCOC)c1 ZINC000181760441 442714908 /nfs/dbraw/zinc/71/49/08/442714908.db2.gz JKFZONNXTVFVAP-CYBMUJFWSA-N 0 0 345.403 1.526 10 0 EDAERN CNC(=O)[C@@H](NC(=O)CN[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000182564150 442788016 /nfs/dbraw/zinc/78/80/16/442788016.db2.gz XZYUIBIVAPKIHP-GUYCJALGSA-N 0 0 329.400 1.842 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCc3c(nc(C(C)C)n3C)C2)n1 ZINC000193794709 442788317 /nfs/dbraw/zinc/78/83/17/442788317.db2.gz UPQIRJIGASCFEJ-UHFFFAOYSA-N 0 0 341.415 1.770 10 0 EDAERN CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000246632502 442798693 /nfs/dbraw/zinc/79/86/93/442798693.db2.gz NDFGKDNJQVHMOT-IVMMDQJWSA-N 0 0 334.416 2.000 10 0 EDAERN CS(=O)(=O)N1CC(CNC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000188567569 442764541 /nfs/dbraw/zinc/76/45/41/442764541.db2.gz JPWNGQYJTIPYAI-GFCCVEGCSA-N 0 0 327.406 1.018 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)nc1F ZINC000193705480 442770050 /nfs/dbraw/zinc/77/00/50/442770050.db2.gz GYQGZTWQBMIHKT-JTQLQIEISA-N 0 0 333.360 1.503 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(O)c2)ncn1 ZINC000182524642 442780885 /nfs/dbraw/zinc/78/08/85/442780885.db2.gz FRGXMTBPPKWPHP-CYBMUJFWSA-N 0 0 327.388 1.623 10 0 EDAERN O=S(=O)(C[C@@H]1CCOC1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188872952 442832770 /nfs/dbraw/zinc/83/27/70/442832770.db2.gz CQVLIZVHBHFZKI-BNOWGMLFSA-N 0 0 331.459 1.122 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H]2SCCc3sccc32)C[C@H]1C ZINC000246776401 442813153 /nfs/dbraw/zinc/81/31/53/442813153.db2.gz IMUPRMCVVRWUFH-XUJVJEKNSA-N 0 0 340.514 1.992 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188890353 442836355 /nfs/dbraw/zinc/83/63/55/442836355.db2.gz KKPWCANWDPNOQG-AWEZNQCLSA-N 0 0 332.400 1.324 10 0 EDAERN COCCN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@H]1C ZINC000247185871 442839624 /nfs/dbraw/zinc/83/96/24/442839624.db2.gz NWNIYQDKBPIAMJ-LUKYLMHMSA-N 0 0 325.497 1.580 10 0 EDAERN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000188928625 442843728 /nfs/dbraw/zinc/84/37/28/442843728.db2.gz XUDGZGPNZMXNCD-LLVKDONJSA-N 0 0 348.353 1.810 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1c(F)cc(Cl)cc1F ZINC000182899582 442845372 /nfs/dbraw/zinc/84/53/72/442845372.db2.gz PKHUWUJPESFYSQ-JTQLQIEISA-N 0 0 349.765 1.433 10 0 EDAERN Cn1cc([C@H]2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)cn1 ZINC000247573532 442862860 /nfs/dbraw/zinc/86/28/60/442862860.db2.gz XBXOSLRADTXETP-RDJZCZTQSA-N 0 0 338.411 1.537 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC000176085987 318440676 /nfs/dbraw/zinc/44/06/76/318440676.db2.gz MFWLTOZGYVNUQS-INIZCTEOSA-N 0 0 334.464 1.498 10 0 EDAERN CC[C@@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC[N@@H+]1C[C@H](C)O ZINC000248450251 442893580 /nfs/dbraw/zinc/89/35/80/442893580.db2.gz FMANWHYIQKDACI-DVOMOZLQSA-N 0 0 336.480 1.824 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCC2(CCOC)CCC2)CC1 ZINC000181990525 318495031 /nfs/dbraw/zinc/49/50/31/318495031.db2.gz LSFKLRYJRACJDT-OAHLLOKOSA-N 0 0 327.469 1.291 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(Br)c[nH]2)n1 ZINC000182085485 318497208 /nfs/dbraw/zinc/49/72/08/318497208.db2.gz FCMGNNPIAMLGJP-JTQLQIEISA-N 0 0 341.165 1.682 10 0 EDAERN CCCCOC[C@@H](O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000248656547 442913636 /nfs/dbraw/zinc/91/36/36/442913636.db2.gz RQNWISFAXINNJX-DLBZAZTESA-N 0 0 325.453 1.378 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)Cn3ccc(C)cc3=O)C2)no1 ZINC000194588230 442918213 /nfs/dbraw/zinc/91/82/13/442918213.db2.gz JTFUQRAXZVXXDC-CQSZACIVSA-N 0 0 330.388 1.329 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000189318033 442920062 /nfs/dbraw/zinc/92/00/62/442920062.db2.gz WKWLRUIHTKRCBJ-OAHLLOKOSA-N 0 0 345.487 1.853 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000189333674 442923411 /nfs/dbraw/zinc/92/34/11/442923411.db2.gz XKUNCVKXAFOEPH-GFCCVEGCSA-N 0 0 339.823 1.045 10 0 EDAERN O=C(NC1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1)C1CC1 ZINC000189373642 442931963 /nfs/dbraw/zinc/93/19/63/442931963.db2.gz HFTQZOODAJWCRU-UHFFFAOYSA-N 0 0 344.802 1.876 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@]1(O)C[C@@H](OCC)C1(C)C ZINC000248876452 442932614 /nfs/dbraw/zinc/93/26/14/442932614.db2.gz CQUGRGQETKFQHZ-IIDMSEBBSA-N 0 0 342.480 1.170 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1N1CCCCC1 ZINC000189394042 442938842 /nfs/dbraw/zinc/93/88/42/442938842.db2.gz JERQRNFCHJBLMR-SJLPKXTDSA-N 0 0 345.443 1.275 10 0 EDAERN O=C(c1cc(=O)[nH]c(C2CC2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000186129595 318548913 /nfs/dbraw/zinc/54/89/13/318548913.db2.gz UVUDDTWBTATYTI-HNNXBMFYSA-N 0 0 325.368 1.941 10 0 EDAERN CCc1cc(NC(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)n(C)n1 ZINC000190129876 318569027 /nfs/dbraw/zinc/56/90/27/318569027.db2.gz NCJPSJLAPKSELP-RYUDHWBXSA-N 0 0 334.380 1.668 10 0 EDAERN Cn1c2ccc(CN3CCO[C@@H](Cn4cccn4)C3)cc2sc1=O ZINC000195013761 442976135 /nfs/dbraw/zinc/97/61/35/442976135.db2.gz ZLAOMUZBXXHBFX-CQSZACIVSA-N 0 0 344.440 1.698 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249594299 442992650 /nfs/dbraw/zinc/99/26/50/442992650.db2.gz WIVBOSBYOQKHQU-BXUZGUMPSA-N 0 0 336.354 1.815 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3cccc(C)n3)C2=O)n(C)n1 ZINC000184159318 442997998 /nfs/dbraw/zinc/99/79/98/442997998.db2.gz PZMLRJDONZPQCN-CYBMUJFWSA-N 0 0 342.403 1.749 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2nc3ccccn3n2)C[C@H]1C ZINC000184354885 443015483 /nfs/dbraw/zinc/01/54/83/443015483.db2.gz LTWTUFJKXBKFJH-CYBMUJFWSA-N 0 0 332.408 1.304 10 0 EDAERN COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189915238 443027843 /nfs/dbraw/zinc/02/78/43/443027843.db2.gz GCLQJKPBNSGLEE-CHWSQXEVSA-N 0 0 330.388 1.201 10 0 EDAERN Cc1noc([C@@H]2COCCN2CCOCC(F)(F)C(F)(F)F)n1 ZINC000189920885 443029275 /nfs/dbraw/zinc/02/92/75/443029275.db2.gz RLYMSCOLLMEFIK-VIFPVBQESA-N 0 0 345.268 1.966 10 0 EDAERN COCCN1CCN(C(=O)c2nn(-c3ccccc3)cc2C)C[C@H]1C ZINC000184564772 443040487 /nfs/dbraw/zinc/04/04/87/443040487.db2.gz CDCABODIDLMQHF-MRXNPFEDSA-N 0 0 342.443 1.973 10 0 EDAERN CC(C)C[C@@H](C)NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000190331376 443086656 /nfs/dbraw/zinc/08/66/56/443086656.db2.gz DEJFLPDIGGVKQB-OCCSQVGLSA-N 0 0 342.465 1.336 10 0 EDAERN O=C(Nc1cnccn1)[C@H]1CCC[C@H](C(=O)Nc2cnccn2)C1 ZINC000184892557 443093802 /nfs/dbraw/zinc/09/38/02/443093802.db2.gz IPUAHEXQAHIUFE-RYUDHWBXSA-N 0 0 326.360 1.650 10 0 EDAERN N#CC1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000218964183 443059664 /nfs/dbraw/zinc/05/96/64/443059664.db2.gz ZZKOVAZJMWWZOQ-UHFFFAOYSA-N 0 0 346.162 1.692 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCN(C)c2ccccc2)CC1 ZINC000184764349 443073786 /nfs/dbraw/zinc/07/37/86/443073786.db2.gz ORLNQPFXXNHWCD-QGZVFWFLSA-N 0 0 334.464 1.221 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCCn3ccnc3)CCO2)cn1 ZINC000190257465 443077763 /nfs/dbraw/zinc/07/77/63/443077763.db2.gz VIRPDEQAWXRVEE-OAHLLOKOSA-N 0 0 332.408 1.273 10 0 EDAERN CC(C)(C)OC(=O)CC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000222882712 443082527 /nfs/dbraw/zinc/08/25/27/443082527.db2.gz MAPMSAVDQMPFSC-QWRGUYRKSA-N 0 0 329.393 1.658 10 0 EDAERN Cc1ccccc1C[C@@H](CO)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000190552543 443135285 /nfs/dbraw/zinc/13/52/85/443135285.db2.gz ZWNNXKZTSIUQCI-HIFRSBDPSA-N 0 0 330.384 1.426 10 0 EDAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000255524599 443101728 /nfs/dbraw/zinc/10/17/28/443101728.db2.gz WXEJFJIAHWVLMX-MWWKQMNYSA-N 0 0 349.394 1.767 10 0 EDAERN CCO[C@H]1C[C@H](NS(=O)(=O)N2CCCCCC2)C12CCOCC2 ZINC000185153501 443148716 /nfs/dbraw/zinc/14/87/16/443148716.db2.gz OWSDIUKUXMNZMY-GJZGRUSLSA-N 0 0 346.493 1.671 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000190494517 443120121 /nfs/dbraw/zinc/12/01/21/443120121.db2.gz UTSXXTOGNKXEPJ-UHFFFAOYSA-N 0 0 336.189 1.891 10 0 EDAERN C[C@@H]1CC[C@@H](C[NH+]2CCN(C[C@H](O)COc3ccccc3)CC2)O1 ZINC000190527121 443128249 /nfs/dbraw/zinc/12/82/49/443128249.db2.gz OBSJZMUPKLNTTM-AOIWGVFYSA-N 0 0 334.460 1.611 10 0 EDAERN CCn1cnnc1C1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000185240343 443167980 /nfs/dbraw/zinc/16/79/80/443167980.db2.gz QPGADENLDOHEHR-GFCCVEGCSA-N 0 0 327.454 1.207 10 0 EDAERN COc1cc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)ccc1F ZINC000190761675 443178860 /nfs/dbraw/zinc/17/88/60/443178860.db2.gz QWGRBBZHWIQNCF-GFCCVEGCSA-N 0 0 340.380 1.548 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1 ZINC000185304205 443179795 /nfs/dbraw/zinc/17/97/95/443179795.db2.gz GTYPTTZJTSSPLD-UHFFFAOYSA-N 0 0 347.198 1.589 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000190798147 443185437 /nfs/dbraw/zinc/18/54/37/443185437.db2.gz DRCCUFQHMINZPT-CYBMUJFWSA-N 0 0 331.424 1.693 10 0 EDAERN CCOC[C@H](NC(=O)N[C@@H]1CCCn2nc(COC)nc21)C(C)C ZINC000191107296 443242494 /nfs/dbraw/zinc/24/24/94/443242494.db2.gz XLMGVVZREKYJSW-OLZOCXBDSA-N 0 0 339.440 1.620 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)CCC2CCCCC2)C1 ZINC000185443828 443201160 /nfs/dbraw/zinc/20/11/60/443201160.db2.gz PUCQNVUGTLGSPG-CYBMUJFWSA-N 0 0 325.453 1.892 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000191312784 443276394 /nfs/dbraw/zinc/27/63/94/443276394.db2.gz UEWDSKVFHZJSCU-JQHSSLGASA-N 0 0 332.444 1.679 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cc(Br)cs1 ZINC000191259018 443268150 /nfs/dbraw/zinc/26/81/50/443268150.db2.gz IKBNLUDFDIYYPP-MRVPVSSYSA-N 0 0 346.250 1.931 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCCN(C)c1ccccc1 ZINC000191273855 443269996 /nfs/dbraw/zinc/26/99/96/443269996.db2.gz AKRYPMQCGAMOMM-OAHLLOKOSA-N 0 0 332.448 1.823 10 0 EDAERN CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)CC[C@H]1CCCO1 ZINC000328631058 444403748 /nfs/dbraw/zinc/40/37/48/444403748.db2.gz QNMGNAYTCOXMQO-CQSZACIVSA-N 0 0 327.450 1.550 10 0 EDAERN Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4nncn4C)C3)c2c1 ZINC000328633315 444404199 /nfs/dbraw/zinc/40/41/99/444404199.db2.gz SLIQZICVBJEKBA-CYBMUJFWSA-N 0 0 326.360 1.214 10 0 EDAERN CO[C@@H](C)c1nc(CN2CCC[C@H]2c2nc(C(N)=O)no2)cs1 ZINC000328636295 444406590 /nfs/dbraw/zinc/40/65/90/444406590.db2.gz NZRALPDGRVBEFI-WPRPVWTQSA-N 0 0 337.405 1.670 10 0 EDAERN NC(=O)c1noc([C@@H]2CCCN2Cc2nc3c(cccc3F)[nH]2)n1 ZINC000328639460 444408803 /nfs/dbraw/zinc/40/88/03/444408803.db2.gz PNOZYUORKFFIKH-JTQLQIEISA-N 0 0 330.323 1.521 10 0 EDAERN Cc1nnc2n1CCN(C1CN(C(=O)[C@@H](C)c3cccs3)C1)C2 ZINC000328622054 444397197 /nfs/dbraw/zinc/39/71/97/444397197.db2.gz AXRLNJNKMUVFKT-NSHDSACASA-N 0 0 331.445 1.478 10 0 EDAERN COc1ccnc(N(C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)n1 ZINC000328624542 444399713 /nfs/dbraw/zinc/39/97/13/444399713.db2.gz CMNFILACUSMFAP-KBPBESRZSA-N 0 0 332.383 1.324 10 0 EDAERN O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CCC(Oc2cnccn2)CC1 ZINC000375743220 447015995 /nfs/dbraw/zinc/01/59/95/447015995.db2.gz NUROPVFCPRVEDK-GFCCVEGCSA-N 0 0 343.387 1.387 10 0 EDAERN C[NH+](C)C[C@H](O)CC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000382031127 447462570 /nfs/dbraw/zinc/46/25/70/447462570.db2.gz DMBYXBKQLCQMAL-GFCCVEGCSA-N 0 0 330.425 1.401 10 0 EDAERN COc1ccc(Br)cc1C(=O)N1CC(NC(C)=O)C1 ZINC000388126768 447477563 /nfs/dbraw/zinc/47/75/63/447477563.db2.gz ASAZSBJGOGKWRS-UHFFFAOYSA-N 0 0 327.178 1.418 10 0 EDAERN CCOC(=O)Cc1c(N)cc(I)cc1OC ZINC000575724333 447883057 /nfs/dbraw/zinc/88/30/57/447883057.db2.gz BHGOJAADFSNNMI-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000583616389 448442229 /nfs/dbraw/zinc/44/22/29/448442229.db2.gz MUWZFSGNVWCPMV-UWVGGRQHSA-N 0 0 337.800 1.904 10 0 EDAERN CCc1nnc(C)cc1C(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583618298 448447436 /nfs/dbraw/zinc/44/74/36/448447436.db2.gz LFEVHMMOORPUHZ-KRWDZBQOSA-N 0 0 344.419 1.254 10 0 EDAERN CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2nnnn2C2CC2)nn1 ZINC000583621895 448453544 /nfs/dbraw/zinc/45/35/44/448453544.db2.gz MVWALDLSPRMCLX-QWHCGFSZSA-N 0 0 346.439 1.100 10 0 EDAERN O=C1CC(=O)N[C@@](c2ccsc2)(c2ccc(OCCO)cc2)C1 ZINC000584624102 448586143 /nfs/dbraw/zinc/58/61/43/448586143.db2.gz TVSHOGIOFQEQBN-QGZVFWFLSA-N 0 0 331.393 1.842 10 0 EDAERN COc1cc(C(=O)N2CC[C@@H](n3ccnn3)C2)cc(OC)c1OC ZINC000585321230 448737419 /nfs/dbraw/zinc/73/74/19/448737419.db2.gz LKFGOYUZOCOQLL-GFCCVEGCSA-N 0 0 332.360 1.391 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)Nc2ccnnc2C)[C@H]1c1cnn(C)c1C ZINC000622840711 450314559 /nfs/dbraw/zinc/31/45/59/450314559.db2.gz SXVIFBDMIDAPIU-LRDDRELGSA-N 0 0 342.403 1.375 10 0 EDAERN COc1ccc(C(=O)NC[C@H]2CC(=O)N(C)C2)cc1Br ZINC000619011655 450378549 /nfs/dbraw/zinc/37/85/49/450378549.db2.gz HHNIIFDIFDIQFF-SECBINFHSA-N 0 0 341.205 1.666 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2ccnc(N)c2)C1 ZINC000616599486 450454539 /nfs/dbraw/zinc/45/45/39/450454539.db2.gz ZBZDQWAIGNQSML-AWEZNQCLSA-N 0 0 336.436 1.604 10 0 EDAERN CCOC(=O)c1ccc([C@@H]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000616627887 450456170 /nfs/dbraw/zinc/45/61/70/450456170.db2.gz KJIHEHCCHOVIGL-GFCCVEGCSA-N 0 0 326.418 1.636 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616636958 450457045 /nfs/dbraw/zinc/45/70/45/450457045.db2.gz RLRXXLBZNHSYOE-OAHLLOKOSA-N 0 0 349.431 1.856 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1cccc(N)n1 ZINC000616657300 450457719 /nfs/dbraw/zinc/45/77/19/450457719.db2.gz VOJRQYQYNXQYIR-AWEZNQCLSA-N 0 0 336.436 1.952 10 0 EDAERN Cc1cc(S(=O)(=O)NC2CC(CO)C2)ccc1Br ZINC000660147663 453078364 /nfs/dbraw/zinc/07/83/64/453078364.db2.gz DKGBIBBQBCTOSB-UHFFFAOYSA-N 0 0 334.235 1.807 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNc1cc(C)nc2ncnn21 ZINC000664376889 453046048 /nfs/dbraw/zinc/04/60/48/453046048.db2.gz BPDNGOCCBSCEMN-GXTWGEPZSA-N 0 0 327.392 1.839 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000644117369 453054198 /nfs/dbraw/zinc/05/41/98/453054198.db2.gz UNOVOMXRDSCNDE-CVEARBPZSA-N 0 0 342.399 1.648 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000644119685 453057007 /nfs/dbraw/zinc/05/70/07/453057007.db2.gz ABRLTFRUZQBVJK-CABCVRRESA-N 0 0 338.371 1.593 10 0 EDAERN Cc1nnc([C@H]2CN(c3ncncc3Br)C[C@@H](C)O2)o1 ZINC000664500790 453144951 /nfs/dbraw/zinc/14/49/51/453144951.db2.gz HHMQMIXQNPNVRY-GMSGAONNSA-N 0 0 340.181 1.897 10 0 EDAERN CCCN1CCN(Cc2nnc([C@H]3CCCOC3)o2)C(C)(C)C1=O ZINC000644267496 453218930 /nfs/dbraw/zinc/21/89/30/453218930.db2.gz BILCJLJECCCOSJ-ZDUSSCGKSA-N 0 0 336.436 1.796 10 0 EDAERN Cc1nn(C)c2ncc(NC(=O)NC[C@H](C)N3CCOCC3)cc12 ZINC000078589157 487129721 /nfs/dbraw/zinc/12/97/21/487129721.db2.gz PPTQCBIRCBLYJV-NSHDSACASA-N 0 0 332.408 1.119 10 0 EDAERN O=S(=O)(CCCOCc1ccccc1)N[C@H]1CCC[C@@H](O)C1 ZINC000685491855 487282376 /nfs/dbraw/zinc/28/23/76/487282376.db2.gz CVWOXBVRDHOYTA-JKSUJKDBSA-N 0 0 327.446 1.816 10 0 EDAERN CNS(=O)(=O)Nc1ccc2c(c1)CC(=O)N2Cc1ccccc1 ZINC000584647986 485900168 /nfs/dbraw/zinc/90/01/68/485900168.db2.gz OFQAHNVFYFGJMF-UHFFFAOYSA-N 0 0 331.397 1.652 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000208076994 486111356 /nfs/dbraw/zinc/11/13/56/486111356.db2.gz QRCGEBSWBJPHLY-OAHLLOKOSA-N 0 0 341.411 1.742 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000088198488 491193575 /nfs/dbraw/zinc/19/35/75/491193575.db2.gz SKCUPJIPQWXVFX-GXTWGEPZSA-N 0 0 330.363 1.934 10 0 EDAERN CCC1CCC(NC(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000120411925 490997597 /nfs/dbraw/zinc/99/75/97/490997597.db2.gz HUDKGELWHDWDFR-UHFFFAOYSA-N 0 0 330.410 1.705 10 0 EDAERN Cc1nc2c([nH]1)C[C@@H](C(=O)NCc1nnnn1-c1ccccc1)CC2 ZINC000220627594 490998084 /nfs/dbraw/zinc/99/80/84/490998084.db2.gz HPKQIJIWEGYPSX-LBPRGKRZSA-N 0 0 337.387 1.115 10 0 EDAERN C[C@@H](O)[C@@H]1CCN(c2cc3c(cc2Br)C(=O)C(=O)N3)C1 ZINC000167813996 533808423 /nfs/dbraw/zinc/80/84/23/533808423.db2.gz GLEBLESKLNPCCB-HTQZYQBOSA-N 0 0 339.189 1.791 10 0 EDAERN C[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)C[C@H]1N1CCOCC1 ZINC000173966641 533888283 /nfs/dbraw/zinc/88/82/83/533888283.db2.gz ZVIHAAGJVNPTPZ-MAUKXSAKSA-N 0 0 340.427 1.665 10 0 EDAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1ccc(F)cc1 ZINC000187329258 533914165 /nfs/dbraw/zinc/91/41/65/533914165.db2.gz JUUQVBWJMZMYMQ-NSHDSACASA-N 0 0 335.379 1.513 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)c1cnc2c(c1)nnn2C ZINC000184314080 534157840 /nfs/dbraw/zinc/15/78/40/534157840.db2.gz KULWPNDTUIGVAH-LBPRGKRZSA-N 0 0 325.372 1.698 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)no1 ZINC000171335708 534414766 /nfs/dbraw/zinc/41/47/66/534414766.db2.gz MYOSOBQGQMMJOZ-GFCCVEGCSA-N 0 0 328.372 1.572 10 0 EDAERN O=C([O-])C1([NH2+]CC(=O)Nc2ccccc2Br)CCC1 ZINC000165258695 534484577 /nfs/dbraw/zinc/48/45/77/534484577.db2.gz XLWWPEOTSWYJON-UHFFFAOYSA-N 0 0 327.178 1.985 10 0 EDAERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000333443944 534675541 /nfs/dbraw/zinc/67/55/41/534675541.db2.gz QFTVKNRGHGUYLC-OLZOCXBDSA-N 0 0 347.419 1.133 10 0 EDAERN COCc1cccc(CNS(=O)(=O)c2sc(=O)[nH]c2C)c1 ZINC000038011055 523056442 /nfs/dbraw/zinc/05/64/42/523056442.db2.gz ABNJBIAKIDMFGF-UHFFFAOYSA-N 0 0 328.415 1.370 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000175041304 534743869 /nfs/dbraw/zinc/74/38/69/534743869.db2.gz HRZBNRVATURJSD-MRXNPFEDSA-N 0 0 335.452 1.088 10 0 EDAERN Cn1cnc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000179740091 534806777 /nfs/dbraw/zinc/80/67/77/534806777.db2.gz VZUIKIJFKVASCF-CJNGLKHVSA-N 0 0 327.388 1.041 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000131223710 526470079 /nfs/dbraw/zinc/47/00/79/526470079.db2.gz QZLCTHOQZNEHRQ-QWHCGFSZSA-N 0 0 335.404 1.798 10 0 EDAERN CC(C)(C)[C@@H]1C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168903270 526648546 /nfs/dbraw/zinc/64/85/46/526648546.db2.gz VJMFDTKUEJYHTA-LBPRGKRZSA-N 0 0 340.221 1.717 10 0 EDAERN CC(C)(C)[C@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168903171 526718558 /nfs/dbraw/zinc/71/85/58/526718558.db2.gz WJKQXYZXYUNAPH-GFCCVEGCSA-N 0 0 340.221 1.717 10 0 EDAERN CC(C)(C)c1cc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)on1 ZINC000173941360 526758006 /nfs/dbraw/zinc/75/80/06/526758006.db2.gz WAPFZJAFFKCEDT-ZDUSSCGKSA-N 0 0 336.436 1.317 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)COc2ccccc2)CC1 ZINC000027927729 527630734 /nfs/dbraw/zinc/63/07/34/527630734.db2.gz UCUANQXZBGLGHX-UHFFFAOYSA-N 0 0 342.443 1.760 10 0 EDAERN CCO[C@@H](CCNC(=O)N[C@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000174264030 527726094 /nfs/dbraw/zinc/72/60/94/527726094.db2.gz JGEJKALUXATJGX-KBPBESRZSA-N 0 0 337.468 1.906 10 0 EDAERN CCN1CCO[C@@H](CNc2nc(Br)cn3ccnc23)C1 ZINC000166212308 527731950 /nfs/dbraw/zinc/73/19/50/527731950.db2.gz RGNNPUBVQRMWEE-JTQLQIEISA-N 0 0 340.225 1.624 10 0 EDAERN CCN1CCO[C@H](Cn2cc(N)c(C)c(Br)c2=O)C1 ZINC000165396801 527739438 /nfs/dbraw/zinc/73/94/38/527739438.db2.gz RNAGMBSKCLVSGK-JTQLQIEISA-N 0 0 330.226 1.222 10 0 EDAERN CC(C)c1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187979369 528109964 /nfs/dbraw/zinc/10/99/64/528109964.db2.gz SRTHPHYJCXGVEY-UHFFFAOYSA-N 0 0 329.400 1.486 10 0 EDAERN CC(C)Oc1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cn1 ZINC000177334690 528158666 /nfs/dbraw/zinc/15/86/66/528158666.db2.gz PFWXWWQDMPAEQL-ZDUSSCGKSA-N 0 0 330.392 1.795 10 0 EDAERN CCNC(=O)[C@H](C)S(=O)(=O)c1cc(Br)ccc1N ZINC000167149864 528222111 /nfs/dbraw/zinc/22/21/11/528222111.db2.gz ULLDWOJHYGCTAZ-ZETCQYMHSA-N 0 0 335.223 1.330 10 0 EDAERN CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000176743701 528438530 /nfs/dbraw/zinc/43/85/30/528438530.db2.gz SPZKQYQBLNLQNB-CYBMUJFWSA-N 0 0 349.416 1.440 10 0 EDAERN CCOCCCn1c2ccccc2nc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000171072113 528701002 /nfs/dbraw/zinc/70/10/02/528701002.db2.gz XPAIUMZKVOPJNP-LBPRGKRZSA-N 0 0 330.388 1.538 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)Cc1nc(-c2ccccc2)no1 ZINC000176499609 528703994 /nfs/dbraw/zinc/70/39/94/528703994.db2.gz ZHBIANOIOXPVMR-HSZRJFAPSA-N 0 0 332.389 1.753 10 0 EDAERN CC1(C)CN(c2ncncc2I)C[C@H](CO)O1 ZINC000163707200 529129658 /nfs/dbraw/zinc/12/96/58/529129658.db2.gz HEKQYBWZWIUFBA-MRVPVSSYSA-N 0 0 349.172 1.057 10 0 EDAERN CC[C@H](C)[C@@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168901692 529227676 /nfs/dbraw/zinc/22/76/76/529227676.db2.gz RRKNFNILJYFTEN-TVQRCGJNSA-N 0 0 340.221 1.717 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCCC(=O)NC ZINC000153834479 529255475 /nfs/dbraw/zinc/25/54/75/529255475.db2.gz ZJSUOLJYBISIMP-YOEHRIQHSA-N 0 0 347.459 1.816 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(CO)c2F)CCS1 ZINC000158373873 529300390 /nfs/dbraw/zinc/30/03/90/529300390.db2.gz BWUWYUNSACGJBS-VIFPVBQESA-N 0 0 337.413 1.973 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)COc1cccc(C=O)c1)CC2 ZINC000172016948 535021504 /nfs/dbraw/zinc/02/15/04/535021504.db2.gz MAQZKKCTLJSACN-AWEZNQCLSA-N 0 0 342.399 1.724 10 0 EDAERN CC(C)[C@H](NC(=O)[C@H]1CCc2cccnc21)C(=O)N1CCOCC1 ZINC000333437562 535105877 /nfs/dbraw/zinc/10/58/77/535105877.db2.gz VRTNJYDDCIGDOO-GJZGRUSLSA-N 0 0 331.416 1.111 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000131382214 535171407 /nfs/dbraw/zinc/17/14/07/535171407.db2.gz SZGRKVCQZVPAIM-HEWAKGLMSA-N 0 0 341.481 1.540 10 0 EDAERN CC(C)n1nnnc1CSc1nnc(N2CCOCC2)s1 ZINC000195517551 535171965 /nfs/dbraw/zinc/17/19/65/535171965.db2.gz INAYWZUGZNWEGZ-UHFFFAOYSA-N 0 0 327.439 1.234 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000248435615 535391371 /nfs/dbraw/zinc/39/13/71/535391371.db2.gz FRVCIBWUHXMCDQ-ZDUSSCGKSA-N 0 0 325.434 1.339 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)NCc2cccs2)C[C@@H]1C ZINC000247190617 535607728 /nfs/dbraw/zinc/60/77/28/535607728.db2.gz OCLJSLDGVKSTAW-LSDHHAIUSA-N 0 0 339.505 1.795 10 0 EDAERN CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](COCC2CC2)C1 ZINC000253489986 535628980 /nfs/dbraw/zinc/62/89/80/535628980.db2.gz HATONOUSEBGXBK-OAHLLOKOSA-N 0 0 327.450 1.101 10 0 EDAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H]2CCCn3nc(CC)nc32)CC1=O ZINC000087563360 535636609 /nfs/dbraw/zinc/63/66/09/535636609.db2.gz CROOHLICKFQEIV-MELADBBJSA-N 0 0 347.463 1.829 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000249513437 535972644 /nfs/dbraw/zinc/97/26/44/535972644.db2.gz IPQGRIGPQGWXFN-XRGAULLZSA-N 0 0 345.443 1.472 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1)CC2 ZINC000246857531 536163882 /nfs/dbraw/zinc/16/38/82/536163882.db2.gz ASXXLCXKOAMLIB-YNEHKIRRSA-N 0 0 347.419 1.560 10 0 EDAERN CN[C@@H](C(=O)NC[C@H](O)c1ccc(Cl)s1)c1cnn(C)c1 ZINC000262533486 536335396 /nfs/dbraw/zinc/33/53/96/536335396.db2.gz MIGNSCZRUBDJMY-JOYOIKCWSA-N 0 0 328.825 1.245 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2C)c1C)C(C)C ZINC000178679016 536382136 /nfs/dbraw/zinc/38/21/36/536382136.db2.gz OTZBCNIWBMZKLU-MRXNPFEDSA-N 0 0 328.416 1.990 10 0 EDAERN CN[C@H](C(=O)N[C@H](C)c1nc2ccccc2n1C)c1cnn(C)c1 ZINC000262362580 536386047 /nfs/dbraw/zinc/38/60/47/536386047.db2.gz KQCPEDVSHWDOLP-ABAIWWIYSA-N 0 0 326.404 1.445 10 0 EDAERN COCCS(=O)(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193954722 536751465 /nfs/dbraw/zinc/75/14/65/536751465.db2.gz QXMRWHHUWHKLQQ-LLVKDONJSA-N 0 0 348.490 1.790 10 0 EDAERN COCc1ccccc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000109922794 536810043 /nfs/dbraw/zinc/81/00/43/536810043.db2.gz KPELHMGJECEGEO-UHFFFAOYSA-N 0 0 344.415 1.873 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC000247233991 536868577 /nfs/dbraw/zinc/86/85/77/536868577.db2.gz WMYKUTRLIADXLU-IRXDYDNUSA-N 0 0 348.491 1.873 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCn1c(C)c(C)sc1=O)CC2 ZINC000115387391 538128629 /nfs/dbraw/zinc/12/86/29/538128629.db2.gz KTJSYLSWSYRNJY-GFCCVEGCSA-N 0 0 349.460 1.202 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cncc(SC)c1 ZINC000891874204 590665338 /nfs/dbraw/zinc/66/53/38/590665338.db2.gz IDOBHOQVYLFOHX-CYBMUJFWSA-N 0 0 343.474 1.946 10 0 EDAERN COc1cccc2c1CCN(C(=O)CN1CCCC[C@H](OC)C1=O)C2 ZINC000888075979 590929556 /nfs/dbraw/zinc/92/95/56/590929556.db2.gz KSYYGWBZUWHSOC-KRWDZBQOSA-N 0 0 346.427 1.607 10 0 EDAERN CO[C@H]1CCCCN(CC(=O)N(CCO)Cc2ccccc2)C1=O ZINC000888076082 590929812 /nfs/dbraw/zinc/92/98/12/590929812.db2.gz WRAJFEJZFVCADV-INIZCTEOSA-N 0 0 334.416 1.035 10 0 EDAERN COc1ccccc1CN(C)C(=O)CN1CCCC[C@H](OC)C1=O ZINC000888078703 590934659 /nfs/dbraw/zinc/93/46/59/590934659.db2.gz NNOCWLOCOXLPQM-INIZCTEOSA-N 0 0 334.416 1.681 10 0 EDAERN COc1ccc(C)c(S(=O)(=O)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000888093064 591022567 /nfs/dbraw/zinc/02/25/67/591022567.db2.gz FYOGCWCUXMPLJV-AWEZNQCLSA-N 0 0 338.429 1.483 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c(F)cc1F ZINC000888095551 591025739 /nfs/dbraw/zinc/02/57/39/591025739.db2.gz QFVIGXDILZZDAB-LZWOXQAQSA-N 0 0 338.354 1.829 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2cc3nncn3c(C)n2)C1 ZINC000888102796 591030937 /nfs/dbraw/zinc/03/09/37/591030937.db2.gz NESWPBAYWGREEO-OLZOCXBDSA-N 0 0 327.392 1.739 10 0 EDAERN CN(C)C(=O)c1cc(N[C@H]2CCO[C@@H](c3cccnc3)C2)ccn1 ZINC000894080668 591188549 /nfs/dbraw/zinc/18/85/49/591188549.db2.gz NDKVQBCCQUMZGS-DOTOQJQBSA-N 0 0 326.400 1.933 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000895048684 591543784 /nfs/dbraw/zinc/54/37/84/591543784.db2.gz HKUKADJPOBNDMN-RFGFWPKPSA-N 0 0 325.384 1.805 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC000858008739 595684797 /nfs/dbraw/zinc/68/47/97/595684797.db2.gz WZJHCOHIRBMFLZ-SMDDNHRTSA-N 0 0 340.387 1.589 10 0 EDAERN CCNC(=O)c1ccc(OC(=O)[C@H](C)NC(=O)c2ccco2)cc1 ZINC000116204559 595847394 /nfs/dbraw/zinc/84/73/94/595847394.db2.gz ALLFDVDQXHLFCH-NSHDSACASA-N 0 0 330.340 1.753 10 0 EDAERN O=C(OCCCOc1cccc(Br)c1)[C@H]1CNC(=O)C1 ZINC000114986727 596190164 /nfs/dbraw/zinc/19/01/64/596190164.db2.gz MWWBPSPLFZBDAZ-SNVBAGLBSA-N 0 0 342.189 1.897 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccn(-c2ccccc2Cl)n1 ZINC000112646924 596204149 /nfs/dbraw/zinc/20/41/49/596204149.db2.gz OGIXZONEUQJMMV-LLVKDONJSA-N 0 0 342.790 1.862 10 0 EDAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](CCO)C1 ZINC000122832502 596670907 /nfs/dbraw/zinc/67/09/07/596670907.db2.gz RVHGACVOZUDBKG-QMMMGPOBSA-N 0 0 325.217 1.781 10 0 EDAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N[C@H]1CCCc2sccc21 ZINC000126744437 597560998 /nfs/dbraw/zinc/56/09/98/597560998.db2.gz UABKOVWAEZRFMH-PWSUYJOCSA-N 0 0 328.459 1.018 10 0 EDAERN COCC(=O)N(C)CC(=O)O[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000132532256 597860642 /nfs/dbraw/zinc/86/06/42/597860642.db2.gz ZIWRUIRJERPOGX-JTQLQIEISA-N 0 0 340.323 1.703 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(Cn3cc(C)cnc3=S)CC2)n1 ZINC000133034254 597923264 /nfs/dbraw/zinc/92/32/64/597923264.db2.gz KAVWVXPGBGKAFX-GFCCVEGCSA-N 0 0 334.449 1.949 10 0 EDAERN CCCn1cc(NC(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)cn1 ZINC000134028406 598036593 /nfs/dbraw/zinc/03/65/93/598036593.db2.gz UDBBSRMVLPBUTP-LBPRGKRZSA-N 0 0 333.396 1.579 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)C(F)(F)C3(O)CCC3)CC2)s1 ZINC000154819697 697211828 /nfs/dbraw/zinc/21/18/28/697211828.db2.gz VAACAUHFBDDELR-UHFFFAOYSA-N 0 0 345.415 1.646 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(Cn3cc([N+](=O)[O-])c(C)n3)CC2)n1 ZINC000183344997 701594004 /nfs/dbraw/zinc/59/40/04/701594004.db2.gz YZMDSIOXTYRVPP-LLVKDONJSA-N 0 0 335.368 1.127 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(Cn3cc([N+](=O)[O-])c(C)n3)C2)n1 ZINC000183345215 701594062 /nfs/dbraw/zinc/59/40/62/701594062.db2.gz FKCHBPMVMHRGSM-AWEZNQCLSA-N 0 0 333.396 1.678 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ccnn1C ZINC000185801613 705208091 /nfs/dbraw/zinc/20/80/91/705208091.db2.gz RMNOBDIWBOHOBH-PBHICJAKSA-N 0 0 342.443 1.924 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1ccnn1C ZINC000185801656 705211012 /nfs/dbraw/zinc/21/10/12/705211012.db2.gz RMNOBDIWBOHOBH-RHSMWYFYSA-N 0 0 342.443 1.924 10 0 EDAERN Cc1nc([C@@H]2CCCN2Cn2nnc3c(cnn3C)c2=O)cs1 ZINC000186845748 707194342 /nfs/dbraw/zinc/19/43/42/707194342.db2.gz WFJWLDDBROVPFO-LBPRGKRZSA-N 0 0 331.405 1.085 10 0 EDAERN O=C(CN(CCO)C1CC1)c1ccc(I)cc1 ZINC000050158206 214047473 /nfs/dbraw/zinc/04/74/73/214047473.db2.gz NXUZDQFGBVWEOU-UHFFFAOYSA-N 0 0 345.180 1.931 10 0 EDAERN NS(=O)(=O)c1cc(Cl)ccc1OCCOCC(F)(F)F ZINC000050428597 214056882 /nfs/dbraw/zinc/05/68/82/214056882.db2.gz RCYIHYKYDYTERL-UHFFFAOYSA-N 0 0 333.715 1.945 10 0 EDAERN COC(=O)[C@](C)(Cn1nc(C)c(Br)c1C)NC1CC1 ZINC000050594989 214060384 /nfs/dbraw/zinc/06/03/84/214060384.db2.gz SDVBDDAPTQRFHT-ZDUSSCGKSA-N 0 0 330.226 1.946 10 0 EDAERN CN(c1ccccn1)S(=O)(=O)c1cc(Br)cnc1N ZINC000050634838 214062142 /nfs/dbraw/zinc/06/21/42/214062142.db2.gz JFMASABVADCMLT-UHFFFAOYSA-N 0 0 343.206 1.646 10 0 EDAERN CCNc1ncc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000050769649 214069653 /nfs/dbraw/zinc/06/96/53/214069653.db2.gz IAVCJOVYAYUFOU-JTQLQIEISA-N 0 0 331.825 1.426 10 0 EDAERN CN(Cc1csc(Br)c1)C(=O)c1ccc(NN)nn1 ZINC000051120804 214078337 /nfs/dbraw/zinc/07/83/37/214078337.db2.gz VKDGMHSNWUVJCP-UHFFFAOYSA-N 0 0 342.222 1.858 10 0 EDAERN CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NN)nn1 ZINC000051125854 214079615 /nfs/dbraw/zinc/07/96/15/214079615.db2.gz JAWFOYGMIUQBON-UHFFFAOYSA-N 0 0 336.193 1.797 10 0 EDAERN COCCCN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000051232672 214083555 /nfs/dbraw/zinc/08/35/55/214083555.db2.gz MVAASJCPWZFIPB-UHFFFAOYSA-N 0 0 326.462 1.646 10 0 EDAERN Cn1c2cc(Br)c([C@@H](O)[C@H]3CCCO3)cc2n(C)c1=O ZINC000051952110 214109521 /nfs/dbraw/zinc/10/95/21/214109521.db2.gz ZRKDJADCPSETNZ-CHWSQXEVSA-N 0 0 341.205 1.852 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051994554 214110812 /nfs/dbraw/zinc/11/08/12/214110812.db2.gz OBPGQXHFXRRMBA-MNOVXSKESA-N 0 0 349.250 1.613 10 0 EDAERN COCCN[C@@H](C(N)=O)c1cc(OC)c(OC)cc1Br ZINC000053256992 214173032 /nfs/dbraw/zinc/17/30/32/214173032.db2.gz POQFWEGYZXMXCR-GFCCVEGCSA-N 0 0 347.209 1.229 10 0 EDAERN Nc1ccc(=O)n(CCCS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000054185691 214222811 /nfs/dbraw/zinc/22/28/11/214222811.db2.gz CLJRDEGUWMHXKX-UHFFFAOYSA-N 0 0 326.805 1.948 10 0 EDAERN COc1ccc([C@H](C)NC(=O)c2nonc2N)cc1Br ZINC000054430696 214238770 /nfs/dbraw/zinc/23/87/70/214238770.db2.gz IHZFJURZWFBCBQ-LURJTMIESA-N 0 0 341.165 1.914 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)[nH]1 ZINC000173680649 231003121 /nfs/dbraw/zinc/00/31/21/231003121.db2.gz KHVYGHIQBOEXKU-ZDUSSCGKSA-N 0 0 326.360 1.737 10 0 EDAERN CCn1cc(NC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000174034567 231103904 /nfs/dbraw/zinc/10/39/04/231103904.db2.gz ZITHQLVWUPKWHG-ZDUSSCGKSA-N 0 0 345.407 1.262 10 0 EDAERN COCc1cccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173983337 231089256 /nfs/dbraw/zinc/08/92/56/231089256.db2.gz WDIIHVMNDWTFMB-AWEZNQCLSA-N 0 0 336.417 1.450 10 0 EDAERN Cc1n[nH]c(C)c1N1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000056937340 214396322 /nfs/dbraw/zinc/39/63/22/214396322.db2.gz OFEBGQZTDGXQSM-UHFFFAOYSA-N 0 0 348.472 1.987 10 0 EDAERN Cc1n[nH]c(C)c1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000056937840 214396330 /nfs/dbraw/zinc/39/63/30/214396330.db2.gz JFPXTILQDBBZMH-UHFFFAOYSA-N 0 0 331.395 1.926 10 0 EDAERN CC[C@]1(C)NC(=O)[C@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168895585 529416011 /nfs/dbraw/zinc/41/60/11/529416011.db2.gz PBBVKTBDNVSGSD-XPTSAGLGSA-N 0 0 340.221 1.860 10 0 EDAERN COc1ncccc1NC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000175139072 231391393 /nfs/dbraw/zinc/39/13/93/231391393.db2.gz BMBSIVMSJYJEHP-UHFFFAOYSA-N 0 0 346.391 1.521 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3cc(OC)cc(OC)c3)CCO2)[nH]1 ZINC000129152816 529699893 /nfs/dbraw/zinc/69/98/93/529699893.db2.gz HUSWLXLQPJVDAN-HNNXBMFYSA-N 0 0 332.404 1.958 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3)CCO2)[nH]1 ZINC000180229926 529700903 /nfs/dbraw/zinc/70/09/03/529700903.db2.gz MDRDMOFSCUJODL-GFCCVEGCSA-N 0 0 347.350 1.045 10 0 EDAERN Cc1ccc(CNC(=O)[C@@H](C)[S@@](=O)Cc2nnnn2C(C)C)cc1 ZINC000176574390 231685852 /nfs/dbraw/zinc/68/58/52/231685852.db2.gz URNBMEHBLGTFQC-OZAJXLCCSA-N 0 0 349.460 1.516 10 0 EDAERN CCc1nc(C2(NC(=O)c3ccn(CCOC)n3)CCCC2)no1 ZINC000187822138 529731197 /nfs/dbraw/zinc/73/11/97/529731197.db2.gz PAVGHXMQZSMXPN-UHFFFAOYSA-N 0 0 333.392 1.674 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ncn(-c3ccccc3)n1)CC2 ZINC000156924850 529751047 /nfs/dbraw/zinc/75/10/47/529751047.db2.gz OUSCOWRZFHJWDF-LBPRGKRZSA-N 0 0 337.387 1.166 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)CC2 ZINC000155175464 529751375 /nfs/dbraw/zinc/75/13/75/529751375.db2.gz KKSVFIOBWJTLCG-BGJPBQGDSA-N 0 0 341.481 1.002 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000131627999 529766952 /nfs/dbraw/zinc/76/69/52/529766952.db2.gz IPELFIGNHFXCRM-NSHDSACASA-N 0 0 337.811 1.374 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000154577074 529767009 /nfs/dbraw/zinc/76/70/09/529767009.db2.gz XZKVWYSFPMDILS-YPMHNXCESA-N 0 0 340.855 1.429 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000154438724 529767052 /nfs/dbraw/zinc/76/70/52/529767052.db2.gz UICKZKCQTNUIIA-NSHDSACASA-N 0 0 326.828 1.183 10 0 EDAERN CCc1nn(C)cc1-c1nc(C)c(I)c(N)n1 ZINC000168968147 529768368 /nfs/dbraw/zinc/76/83/68/529768368.db2.gz FZOXJVRMMIOQMM-UHFFFAOYSA-N 0 0 343.172 1.935 10 0 EDAERN CN1CCO[C@@H](Cn2nc(Br)cc2Br)C1 ZINC000169198628 529784731 /nfs/dbraw/zinc/78/47/31/529784731.db2.gz NQLKHSCEVAQWMP-SSDOTTSWSA-N 0 0 339.031 1.739 10 0 EDAERN CN(C)c1cnn(CC(=O)c2ccccc2Br)c(=O)c1 ZINC000165216428 529801499 /nfs/dbraw/zinc/80/14/99/529801499.db2.gz AJIYKVBPCOJWKE-UHFFFAOYSA-N 0 0 336.189 1.955 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000158563385 529903016 /nfs/dbraw/zinc/90/30/16/529903016.db2.gz JECXVHZKISMYRP-GJZGRUSLSA-N 0 0 344.415 1.102 10 0 EDAERN CC(C)N(C(=O)c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000227124490 534955248 /nfs/dbraw/zinc/95/52/48/534955248.db2.gz KFEHAXIKPZCLMW-STQMWFEESA-N 0 0 331.821 1.349 10 0 EDAERN COC(=O)c1nn(C)c(N)c1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000725254375 539390993 /nfs/dbraw/zinc/39/09/93/539390993.db2.gz KYYDDGKCOZOIHL-SNVBAGLBSA-N 0 0 338.408 1.903 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000048194637 213895047 /nfs/dbraw/zinc/89/50/47/213895047.db2.gz YMYICZYUFFRCKM-GFCCVEGCSA-N 0 0 326.194 1.585 10 0 EDAERN CSCC[C@H](NC(=O)[C@@H]1COCCO1)c1nc2ccccc2[nH]1 ZINC000048077883 213886724 /nfs/dbraw/zinc/88/67/24/213886724.db2.gz GRZSHMLLFWLILS-KBPBESRZSA-N 0 0 335.429 1.889 10 0 EDAERN CNC(=O)C(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000043942419 213603736 /nfs/dbraw/zinc/60/37/36/213603736.db2.gz YHBPVOFWUZFFCN-UHFFFAOYSA-N 0 0 343.383 1.147 10 0 EDAERN CCNC(=O)[C@@H](C)NCC(=O)Nc1cccc(Br)c1 ZINC000042314423 213494041 /nfs/dbraw/zinc/49/40/41/213494041.db2.gz KKMNUEWQTPHYME-SECBINFHSA-N 0 0 328.210 1.502 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(N)=O)CC1 ZINC000068093970 215277344 /nfs/dbraw/zinc/27/73/44/215277344.db2.gz PAKRPDZNBJKLBA-YPMHNXCESA-N 0 0 341.452 1.650 10 0 EDAERN CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])COC12CC[NH+](C1CC1)CC2 ZINC000669380003 539741886 /nfs/dbraw/zinc/74/18/86/539741886.db2.gz JHWADZXDWXTHBS-LBPRGKRZSA-N 0 0 326.393 1.661 10 0 EDAERN COc1ccc(N2C[C@H](CNC(=O)c3cccnc3)OC2=O)cc1 ZINC000041176876 213429133 /nfs/dbraw/zinc/42/91/33/213429133.db2.gz VWUFUJSWYPFZOZ-HNNXBMFYSA-N 0 0 327.340 1.845 10 0 EDAERN C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000104205186 219360997 /nfs/dbraw/zinc/36/09/97/219360997.db2.gz WZAUVUYBMAXENY-IONNQARKSA-N 0 0 327.178 1.941 10 0 EDAERN COCCN(CCOC)c1ncnc(Oc2ccc(OC)cc2)c1N ZINC000040752080 213381819 /nfs/dbraw/zinc/38/18/19/213381819.db2.gz RJFREQWBOXLWFE-UHFFFAOYSA-N 0 0 348.403 1.959 10 0 EDAERN CC(C)CC[C@H](C)NS(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000069235685 215372282 /nfs/dbraw/zinc/37/22/82/215372282.db2.gz OFVAKMYMZHYBNQ-NSHDSACASA-N 0 0 334.463 1.437 10 0 EDAERN Cc1ccc(C(=O)N2CCOC[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000040634112 213362674 /nfs/dbraw/zinc/36/26/74/213362674.db2.gz VRZPBBGIYMQZJL-LBPRGKRZSA-N 0 0 326.418 1.106 10 0 EDAERN CC(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000040623695 213360093 /nfs/dbraw/zinc/36/00/93/213360093.db2.gz DYJGBJVOWUBUKG-SNVBAGLBSA-N 0 0 332.447 1.455 10 0 EDAERN Cc1nc(NC(=O)c2ccc(C)nc2C)sc1S(N)(=O)=O ZINC000069367586 215389105 /nfs/dbraw/zinc/38/91/05/215389105.db2.gz BOWMTGCQGSEAMC-UHFFFAOYSA-N 0 0 326.403 1.363 10 0 EDAERN C[C@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccc2c(c1)OCCO2 ZINC000181451160 234191394 /nfs/dbraw/zinc/19/13/94/234191394.db2.gz ALLSLHZUXNTCJM-JTQLQIEISA-N 0 0 339.355 1.626 10 0 EDAERN CCOCCCNC(=O)Cn1c(CNC(=O)CC)nc2ccccc21 ZINC000040296186 213290262 /nfs/dbraw/zinc/29/02/62/213290262.db2.gz IPCSYLZSKNIARU-UHFFFAOYSA-N 0 0 346.431 1.605 10 0 EDAERN NS(=O)(=O)c1ccc(NCc2nnc(-c3ccccc3)o2)cc1 ZINC000039891504 213243595 /nfs/dbraw/zinc/24/35/95/213243595.db2.gz ODHPVXJCACZCPO-UHFFFAOYSA-N 0 0 330.369 1.996 10 0 EDAERN CN1CCN(S(=O)(=O)c2ccc(Nc3ccccc3)nc2)CC1 ZINC000039771381 213242300 /nfs/dbraw/zinc/24/23/00/213242300.db2.gz NHQMIERUUTTXME-UHFFFAOYSA-N 0 0 332.429 1.761 10 0 EDAERN Cc1cc(C)cc(C(=O)Nc2cc(C(=O)N(C)C)cn(C)c2=O)c1 ZINC000038491951 213211180 /nfs/dbraw/zinc/21/11/80/213211180.db2.gz KAXJKSIQETWNHT-UHFFFAOYSA-N 0 0 327.384 1.956 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccn(-c2cccc(F)c2)n1 ZINC000177555387 540105250 /nfs/dbraw/zinc/10/52/50/540105250.db2.gz NDNHQNDIIUQMCJ-CYBMUJFWSA-N 0 0 326.335 1.868 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000175691743 540098285 /nfs/dbraw/zinc/09/82/85/540098285.db2.gz IVWKXPMSPDGSRJ-LLVKDONJSA-N 0 0 339.351 1.317 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(C)C ZINC000182159114 540130149 /nfs/dbraw/zinc/13/01/49/540130149.db2.gz QXOAUOQRAATJAG-MRXNPFEDSA-N 0 0 328.416 1.990 10 0 EDAERN O=S(=O)(CCc1ccc2c(c1)CCO2)NC[C@H]1CCCC[C@H]1O ZINC000189657430 540165714 /nfs/dbraw/zinc/16/57/14/540165714.db2.gz SZPPZGOLDWGJCZ-HZPDHXFCSA-N 0 0 339.457 1.635 10 0 EDAERN COCCN1CCN(C(=O)c2ncc(Br)s2)C[C@@H]1C ZINC000192425351 540178420 /nfs/dbraw/zinc/17/84/20/540178420.db2.gz MNPQHYJSOGARLB-VIFPVBQESA-N 0 0 348.266 1.698 10 0 EDAERN COCCOc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000184279457 235354287 /nfs/dbraw/zinc/35/42/87/235354287.db2.gz GWJNZGHYIMVCGT-CYBMUJFWSA-N 0 0 342.823 1.426 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1C ZINC000105835459 219553539 /nfs/dbraw/zinc/55/35/39/219553539.db2.gz ITTLJHPTUNFOAJ-INIZCTEOSA-N 0 0 337.508 1.963 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)Cn3c(C)cc(O)cc3=O)C2)c1 ZINC000128725440 222981879 /nfs/dbraw/zinc/98/18/79/222981879.db2.gz XWTNGIVOBGYRLJ-CQSZACIVSA-N 0 0 330.388 1.231 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCSc2ccccc2F)C1 ZINC000185225841 235618631 /nfs/dbraw/zinc/61/86/31/235618631.db2.gz DBOCZWBCVIFOGQ-UHFFFAOYSA-N 0 0 326.393 1.281 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1ccccc1C ZINC000083740710 138269340 /nfs/dbraw/zinc/26/93/40/138269340.db2.gz FKEUTFABYMPCOG-LSDHHAIUSA-N 0 0 329.404 1.763 10 0 EDAERN COc1ccc([C@H](O)CNC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083750359 138269477 /nfs/dbraw/zinc/26/94/77/138269477.db2.gz HDDCBTRVNDGSHI-HUUCEWRRSA-N 0 0 345.403 1.463 10 0 EDAERN C[C@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1cccc(Cl)c1 ZINC000185542062 235690390 /nfs/dbraw/zinc/69/03/90/235690390.db2.gz YXWZIEVICUTHKR-BBRMVZONSA-N 0 0 349.822 1.453 10 0 EDAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1C1CCCCC1 ZINC000091785849 138285051 /nfs/dbraw/zinc/28/50/51/138285051.db2.gz VNAMPYJHNGHSID-INIZCTEOSA-N 0 0 333.432 1.936 10 0 EDAERN C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)c1ccc(Cl)s1 ZINC000093124720 138291640 /nfs/dbraw/zinc/29/16/40/138291640.db2.gz HPGNYKRJOIRORG-MRVPVSSYSA-N 0 0 344.824 1.704 10 0 EDAERN Cc1ccccc1CNC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105889267 219582013 /nfs/dbraw/zinc/58/20/13/219582013.db2.gz PVSNLOPJQDGMAW-QGZVFWFLSA-N 0 0 328.416 1.209 10 0 EDAERN O=C(NCc1cn[nH]c1)c1ccc(I)cc1 ZINC000037983142 213182161 /nfs/dbraw/zinc/18/21/61/213182161.db2.gz BOGORRNDAPIJKT-UHFFFAOYSA-N 0 0 327.125 1.944 10 0 EDAERN O=C(c1cccc(-n2cnnn2)c1)N1CCO[C@H](c2nccs2)C1 ZINC000110882897 138307317 /nfs/dbraw/zinc/30/73/17/138307317.db2.gz KXLOKMJXZYINAN-ZDUSSCGKSA-N 0 0 342.384 1.333 10 0 EDAERN O=C(c1cccc(-n2cncn2)c1)N1CCC(Nc2cccnn2)CC1 ZINC000115372151 138311180 /nfs/dbraw/zinc/31/11/80/138311180.db2.gz YFYLIQCDYZYGPP-UHFFFAOYSA-N 0 0 349.398 1.774 10 0 EDAERN CCCN(CC(=O)N(C)C)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000124123103 138323948 /nfs/dbraw/zinc/32/39/48/138323948.db2.gz OPVSWXNRYUNQDK-CYBMUJFWSA-N 0 0 334.420 1.523 10 0 EDAERN CC(C)N(CCO)S(=O)(=O)c1cc(Br)ccc1N ZINC000037929763 213174061 /nfs/dbraw/zinc/17/40/61/213174061.db2.gz BQPGBZFEHVCQOV-UHFFFAOYSA-N 0 0 337.239 1.423 10 0 EDAERN CCOCc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000130588963 138342726 /nfs/dbraw/zinc/34/27/26/138342726.db2.gz FONPQDQVHSSIOG-HOCLYGCPSA-N 0 0 334.416 1.829 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N[C@H](C)C(=O)NCC ZINC000037843974 213169521 /nfs/dbraw/zinc/16/95/21/213169521.db2.gz SOHIAVLVXMXHDI-SECBINFHSA-N 0 0 330.226 1.915 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000037856304 213171773 /nfs/dbraw/zinc/17/17/73/213171773.db2.gz LQXCYXXDTSJXSK-UHFFFAOYSA-N 0 0 348.427 1.361 10 0 EDAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000131935810 138368332 /nfs/dbraw/zinc/36/83/32/138368332.db2.gz UJHGFLYTGZRSPQ-UHFFFAOYSA-N 0 0 348.353 1.824 10 0 EDAERN Cn1c2ccc(Br)cc2nc1[C@H](N)CCS(C)(=O)=O ZINC000037441294 213147207 /nfs/dbraw/zinc/14/72/07/213147207.db2.gz CSBFMEFYJDJHBD-SECBINFHSA-N 0 0 346.250 1.770 10 0 EDAERN Cn1c(N)c(NCCc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O ZINC000037487640 213149548 /nfs/dbraw/zinc/14/95/48/213149548.db2.gz PAXNWUYQMISGGE-UHFFFAOYSA-N 0 0 329.187 1.617 10 0 EDAERN O=S1(=O)C[C@H](Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](O)C1 ZINC000037491858 213149553 /nfs/dbraw/zinc/14/95/53/213149553.db2.gz UJYCFDUVAHTUFF-VHSXEESVSA-N 0 0 329.727 1.929 10 0 EDAERN C[C@H](O)CNC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 ZINC000036585099 213100772 /nfs/dbraw/zinc/10/07/72/213100772.db2.gz RODKJVDKRIGQIW-VIFPVBQESA-N 0 0 346.343 1.293 10 0 EDAERN COCCC1(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000152765992 138481573 /nfs/dbraw/zinc/48/15/73/138481573.db2.gz HAKSYBHBNXJREA-ZDUSSCGKSA-N 0 0 335.452 1.832 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1C ZINC000036214906 213076896 /nfs/dbraw/zinc/07/68/96/213076896.db2.gz CNDIKFMCRAADES-TXEJJXNPSA-N 0 0 347.868 1.465 10 0 EDAERN CN(C)[C@H](CNS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000036217172 213077406 /nfs/dbraw/zinc/07/74/06/213077406.db2.gz BRRMQYJDFZUDDT-CQSZACIVSA-N 0 0 340.445 1.880 10 0 EDAERN CC(C)c1nc(-c2ccccn2)cc(N2CC[NH+](CC(=O)[O-])CC2)n1 ZINC000070456659 215695020 /nfs/dbraw/zinc/69/50/20/215695020.db2.gz OXLPHVRGKCSDOO-UHFFFAOYSA-N 0 0 341.415 1.869 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@](C)(O)c1ccsc1)CC2 ZINC000155179801 138531427 /nfs/dbraw/zinc/53/14/27/138531427.db2.gz WYFAWPDVZJEOOT-LRDDRELGSA-N 0 0 349.460 1.424 10 0 EDAERN O=C(c1nc(Br)cs1)N1CCC[C@@H](n2cncn2)C1 ZINC000187491719 236225052 /nfs/dbraw/zinc/22/50/52/236225052.db2.gz SKVSXVUGBNCDEE-MRVPVSSYSA-N 0 0 342.222 1.974 10 0 EDAERN CCc1ccc([C@H](CNS(=O)(=O)N(C)C)N2CCOCC2)cc1 ZINC000036098158 213065397 /nfs/dbraw/zinc/06/53/97/213065397.db2.gz AWKGCYMITGTZIR-INIZCTEOSA-N 0 0 341.477 1.018 10 0 EDAERN CCc1ccc([C@@H](CNS(=O)(=O)N(C)C)N2CCOCC2)cc1 ZINC000036098156 213064602 /nfs/dbraw/zinc/06/46/02/213064602.db2.gz AWKGCYMITGTZIR-MRXNPFEDSA-N 0 0 341.477 1.018 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000156262447 138555124 /nfs/dbraw/zinc/55/51/24/138555124.db2.gz IEPKOWUZCKNCNQ-KBPBESRZSA-N 0 0 341.477 1.855 10 0 EDAERN COCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2cc(C)ccc2C)on1 ZINC000036016182 213057197 /nfs/dbraw/zinc/05/71/97/213057197.db2.gz UFLDYMOHASFHAO-CYBMUJFWSA-N 0 0 345.399 1.839 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979260 236368198 /nfs/dbraw/zinc/36/81/98/236368198.db2.gz DLUWPGVVIXPFLP-UHFFFAOYSA-N 0 0 335.791 1.324 10 0 EDAERN NC(=S)c1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1F ZINC000071245349 215745757 /nfs/dbraw/zinc/74/57/57/215745757.db2.gz XYBYNHJGPXCYDT-UHFFFAOYSA-N 0 0 332.422 1.042 10 0 EDAERN COC(=O)[C@@H](NS(=O)(=O)c1sc(Cl)nc1C)C(C)C ZINC000035357278 213023480 /nfs/dbraw/zinc/02/34/80/213023480.db2.gz JPJNFUFSQWILQI-ZETCQYMHSA-N 0 0 326.827 1.581 10 0 EDAERN O=C(c1cccc(-n2ccnn2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000157479906 138629164 /nfs/dbraw/zinc/62/91/64/138629164.db2.gz QROPGYMJGQQKLU-QGZVFWFLSA-N 0 0 335.367 1.956 10 0 EDAERN CCN1C(=O)C[C@@H](Nc2ccc(I)cc2)C1=O ZINC000035180847 213013269 /nfs/dbraw/zinc/01/32/69/213013269.db2.gz RMRGLPGPCUUNKH-SNVBAGLBSA-N 0 0 344.152 1.851 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)CSc1nnnn1C1CC1 ZINC000172970670 138668286 /nfs/dbraw/zinc/66/82/86/138668286.db2.gz ACUGHBICILIJPA-GFCCVEGCSA-N 0 0 347.444 1.822 10 0 EDAERN Cc1ccc(NC(=O)CSC[C@@H]([NH3+])C(=O)[O-])c(Br)c1 ZINC000035082846 213007026 /nfs/dbraw/zinc/00/70/26/213007026.db2.gz VKXYFORHITUFCI-SECBINFHSA-N 0 0 347.234 1.841 10 0 EDAERN Cc1c(C(=O)NCCc2nc3cc(F)ccc3[nH]2)sc(=O)n1C ZINC000071555833 215787025 /nfs/dbraw/zinc/78/70/25/215787025.db2.gz ZRQAQCRQZOCIDJ-UHFFFAOYSA-N 0 0 334.376 1.743 10 0 EDAERN Cc1ccc(-n2c(=O)c3sccc3n(CC(N)=O)c2=O)cc1F ZINC000000426827 209591002 /nfs/dbraw/zinc/59/10/02/209591002.db2.gz TWQDYWFVPALPBS-UHFFFAOYSA-N 0 0 333.344 1.147 10 0 EDAERN COc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177634209 138732096 /nfs/dbraw/zinc/73/20/96/138732096.db2.gz ZUQAZXCJESKCRV-VIFPVBQESA-N 0 0 349.778 1.010 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCOc2ccc(F)cc2F)C1 ZINC000106564109 219668008 /nfs/dbraw/zinc/66/80/08/219668008.db2.gz RFGFNJCQDYQALI-CYBMUJFWSA-N 0 0 341.358 1.654 10 0 EDAERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@H]3CCc4ncnn4C3)c2c1 ZINC000181851352 138772171 /nfs/dbraw/zinc/77/21/71/138772171.db2.gz ZONMEJBRISCZGN-SNVBAGLBSA-N 0 0 341.346 1.724 10 0 EDAERN CCCNC(=O)CNC(=O)c1cc(Br)cn1CCC ZINC000036860645 213125011 /nfs/dbraw/zinc/12/50/11/213125011.db2.gz OQILGKCWLVYGNJ-UHFFFAOYSA-N 0 0 330.226 1.917 10 0 EDAERN Cc1n[nH]c(C)c1CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000129359528 223048055 /nfs/dbraw/zinc/04/80/55/223048055.db2.gz LFYLNTYRSMUIDG-CQSZACIVSA-N 0 0 328.420 1.486 10 0 EDAERN COCCCCS(=O)(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000184567125 138795997 /nfs/dbraw/zinc/79/59/97/138795997.db2.gz RXBTYXQYSPIFMF-UHFFFAOYSA-N 0 0 347.506 1.326 10 0 EDAERN COc1cc(CO)cc(Br)c1OCCC(=O)N(C)C ZINC000037898161 213172844 /nfs/dbraw/zinc/17/28/44/213172844.db2.gz LIFRIUDQTHKINJ-UHFFFAOYSA-N 0 0 332.194 1.807 10 0 EDAERN O=C(NCCOCC(F)F)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000190112764 238224561 /nfs/dbraw/zinc/22/45/61/238224561.db2.gz RKWZVGSTDKTSGV-LLVKDONJSA-N 0 0 348.371 1.486 10 0 EDAERN CCOc1ccc(N2CN(CCO)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000072442371 216235500 /nfs/dbraw/zinc/23/55/00/216235500.db2.gz RQFDEGBRRSFHPY-UHFFFAOYSA-N 0 0 344.415 1.620 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1=O ZINC000190135433 238243362 /nfs/dbraw/zinc/24/33/62/238243362.db2.gz LAPLZDRJTTUMMO-AWEZNQCLSA-N 0 0 343.387 1.284 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@]1(O)CCc2ccccc21 ZINC000130208931 223133231 /nfs/dbraw/zinc/13/32/31/223133231.db2.gz IWWGNCUSQZOCMD-CRAIPNDOSA-N 0 0 341.415 1.555 10 0 EDAERN C[C@H]1[C@H]([NH3+])CN1c1nc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 ZINC000027409007 212556212 /nfs/dbraw/zinc/55/62/12/212556212.db2.gz AUJKWLGOXRSXRX-JVXZTZIISA-N 0 0 332.335 1.105 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1)C1CC1 ZINC000187703838 138828554 /nfs/dbraw/zinc/82/85/54/138828554.db2.gz MDEJWMJTYNYIMJ-ZNMIVQPWSA-N 0 0 333.432 1.254 10 0 EDAERN C[C@H](NC(=O)NCCN1C(=O)CCC1=O)c1ccc(F)c(F)c1 ZINC000073032437 216341105 /nfs/dbraw/zinc/34/11/05/216341105.db2.gz PPUJWTBMMQTAAM-VIFPVBQESA-N 0 0 325.315 1.474 10 0 EDAERN COc1ccccc1OCCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188746448 138850284 /nfs/dbraw/zinc/85/02/84/138850284.db2.gz FIOTXDRQMUKTHQ-UHFFFAOYSA-N 0 0 332.400 1.591 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCOCC(F)(F)C(F)F ZINC000189067631 138860003 /nfs/dbraw/zinc/86/00/03/138860003.db2.gz DHMBLOYIVXCAND-SECBINFHSA-N 0 0 338.305 1.845 10 0 EDAERN COc1ccc(CCc2nc3ccccc3c(=O)n2N)c(OC)c1 ZINC000196747890 241035362 /nfs/dbraw/zinc/03/53/62/241035362.db2.gz RYCHTJPYVXTDCZ-UHFFFAOYSA-N 0 0 325.368 1.913 10 0 EDAERN CN(C)S(=O)(=O)OCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000226859571 242117608 /nfs/dbraw/zinc/11/76/08/242117608.db2.gz LOLPPFVTMFBBTI-UHFFFAOYSA-N 0 0 348.380 1.259 10 0 EDAERN CC(C)CNC(=O)NCCn1cnc2cc(C(=O)N(C)C)ccc21 ZINC000021653580 212237109 /nfs/dbraw/zinc/23/71/09/212237109.db2.gz JFOXNZORVDAUBV-UHFFFAOYSA-N 0 0 331.420 1.693 10 0 EDAERN COc1ccc(NC(=O)C2CC2)cc1CN1C(=O)[C@@H]2CCCN2C1=O ZINC000020529823 212143870 /nfs/dbraw/zinc/14/38/70/212143870.db2.gz FQCNMGWDSCJIED-AWEZNQCLSA-N 0 0 343.383 1.970 10 0 EDAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000191927676 138928747 /nfs/dbraw/zinc/92/87/47/138928747.db2.gz FIFISCULJMJAFE-CZUORRHYSA-N 0 0 342.399 1.803 10 0 EDAERN CCN(CC)C(=O)CN1c2cc(Br)ccc2C(=O)C1=O ZINC000019967160 212091181 /nfs/dbraw/zinc/09/11/81/212091181.db2.gz KIZBPKGDLXXDGN-UHFFFAOYSA-N 0 0 339.189 1.847 10 0 EDAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168885805 296142567 /nfs/dbraw/zinc/14/25/67/296142567.db2.gz DVBCFLRXOVOGLC-MWLCHTKSSA-N 0 0 338.351 1.214 10 0 EDAERN CN(C(=O)c1cnc(Cl)cn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000192768114 138953349 /nfs/dbraw/zinc/95/33/49/138953349.db2.gz DJCFBLOJODPDCM-LLVKDONJSA-N 0 0 332.795 1.661 10 0 EDAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3ccc(F)cn3)CC2)cn1 ZINC000193320922 138966647 /nfs/dbraw/zinc/96/66/47/138966647.db2.gz PJGAKVBJWNJIQL-UHFFFAOYSA-N 0 0 345.378 1.782 10 0 EDAERN Cc1csc([C@H]2CN(C(=O)NCCCC(=O)N(C)C)CCO2)n1 ZINC000194086251 138985565 /nfs/dbraw/zinc/98/55/65/138985565.db2.gz DSAAFGXKBIQPAQ-GFCCVEGCSA-N 0 0 340.449 1.403 10 0 EDAERN CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000077938333 217002819 /nfs/dbraw/zinc/00/28/19/217002819.db2.gz ZIEUZRLCSMJIOB-BXUZGUMPSA-N 0 0 338.379 1.830 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000077938364 217004031 /nfs/dbraw/zinc/00/40/31/217004031.db2.gz NFRXHSJXNQRNCK-BBRMVZONSA-N 0 0 342.399 1.478 10 0 EDAERN O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)[C@H]1CNC(=O)C1 ZINC000194731965 138999283 /nfs/dbraw/zinc/99/92/83/138999283.db2.gz CYHNKELVBBEVGT-OAHLLOKOSA-N 0 0 349.390 1.964 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnc(-c2ccccn2)s1 ZINC000112648283 284241495 /nfs/dbraw/zinc/24/14/95/284241495.db2.gz QDMVIUKVGCLBAW-JTQLQIEISA-N 0 0 326.385 1.541 10 0 EDAERN O=C(c1cccc(Cl)c1)N1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194878541 139001796 /nfs/dbraw/zinc/00/17/96/139001796.db2.gz PPAFQYGHEPAFAY-ZDUSSCGKSA-N 0 0 349.818 1.151 10 0 EDAERN CSc1nc(C)c(CCC(=O)N[C@H]2COc3ccccc32)c(=O)[nH]1 ZINC000194884904 139001853 /nfs/dbraw/zinc/00/18/53/139001853.db2.gz LEGUUXXSIZUOLB-ZDUSSCGKSA-N 0 0 345.424 1.983 10 0 EDAERN O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@@H]1COc2ccccc21 ZINC000195193509 139009778 /nfs/dbraw/zinc/00/97/78/139009778.db2.gz ZIEUZNPXNLKNNG-XJKSGUPXSA-N 0 0 346.358 1.998 10 0 EDAERN CNC(=O)NC(=O)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195401139 139015859 /nfs/dbraw/zinc/01/58/59/139015859.db2.gz ZDDDHQUJZCCSOV-JTQLQIEISA-N 0 0 340.449 1.270 10 0 EDAERN Nc1cc(Cl)c(NC(=O)CN2CCS(=O)CC2)c(Cl)c1 ZINC000049691248 214028201 /nfs/dbraw/zinc/02/82/01/214028201.db2.gz OVMMADBOFMHJMU-UHFFFAOYSA-N 0 0 336.244 1.578 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)CCCN(C)C(=O)OC)C1 ZINC000110755650 220065232 /nfs/dbraw/zinc/06/52/32/220065232.db2.gz XWSNJEDNNOBKAU-ZDUSSCGKSA-N 0 0 337.424 1.482 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)/C=C/c3cncc(F)c3)CCO2)n1 ZINC000110898505 220076590 /nfs/dbraw/zinc/07/65/90/220076590.db2.gz XOKYWIOKHPMBAB-IDOMTICXSA-N 0 0 344.390 1.975 10 0 EDAERN COc1cccc(OC)c1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111650251 220174436 /nfs/dbraw/zinc/17/44/36/220174436.db2.gz PSDSLSDDJDRPMF-CYBMUJFWSA-N 0 0 331.372 1.442 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCCN3CCCC3=O)C2)c1 ZINC000111787912 220189497 /nfs/dbraw/zinc/18/94/97/220189497.db2.gz VWRJIZBGFPLNIE-HNNXBMFYSA-N 0 0 333.436 1.551 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCNC(=O)c3ccco3)C2)c1 ZINC000111812597 220196670 /nfs/dbraw/zinc/19/66/70/220196670.db2.gz WHHRSGCSXWGDTR-AWEZNQCLSA-N 0 0 345.403 1.561 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000081580345 217421988 /nfs/dbraw/zinc/42/19/88/217421988.db2.gz IQRQZUDIOVQSPH-HNNXBMFYSA-N 0 0 327.388 1.488 10 0 EDAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)c1ncon1 ZINC000245553037 139079160 /nfs/dbraw/zinc/07/91/60/139079160.db2.gz QXQCYWZQXXVEKD-WFBYXXMGSA-N 0 0 332.335 1.606 10 0 EDAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000245695076 139083407 /nfs/dbraw/zinc/08/34/07/139083407.db2.gz KYPQROWJHKBVRN-HNHYXYPQSA-N 0 0 334.391 1.595 10 0 EDAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000245875885 139088328 /nfs/dbraw/zinc/08/83/28/139088328.db2.gz YFACFQGOJVVJRA-GJZGRUSLSA-N 0 0 336.436 1.261 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000083750361 217554864 /nfs/dbraw/zinc/55/48/64/217554864.db2.gz MTKWNAYAYKVBHL-KGLIPLIRSA-N 0 0 333.367 1.593 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COc1c(C)nn(C)c1C ZINC000246127328 139095952 /nfs/dbraw/zinc/09/59/52/139095952.db2.gz UHZQMNOPECQHTO-ZNMIVQPWSA-N 0 0 349.431 1.748 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1[C@H]3CCO[C@H]3C13CCC3)CC2 ZINC000246215639 139099636 /nfs/dbraw/zinc/09/96/36/139099636.db2.gz VNOVMYFWVZIANQ-CZPYZCIJSA-N 0 0 345.447 1.412 10 0 EDAERN C[C@H](NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)[C@H]1CCCO1 ZINC000246281908 139102300 /nfs/dbraw/zinc/10/23/00/139102300.db2.gz NTADFOTYOOHCQL-NWANDNLSSA-N 0 0 336.436 1.443 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(F)c1 ZINC000246400424 139107029 /nfs/dbraw/zinc/10/70/29/139107029.db2.gz DBYKUWYBRVMEPV-ZFWWWQNUSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2F)C[C@H]1C ZINC000246581924 139113620 /nfs/dbraw/zinc/11/36/20/139113620.db2.gz ADXKRFWQKCKBPS-BDAKNGLRSA-N 0 0 334.313 1.770 10 0 EDAERN COCCOc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246787145 139121564 /nfs/dbraw/zinc/12/15/64/139121564.db2.gz QLCXNSPFMBCFJU-CABCVRRESA-N 0 0 336.432 1.239 10 0 EDAERN C[C@H](C(=O)Nc1cccc(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246998302 139130457 /nfs/dbraw/zinc/13/04/57/139130457.db2.gz BHLQGQKMTQCIPF-CZUORRHYSA-N 0 0 332.379 1.750 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000247061816 139133888 /nfs/dbraw/zinc/13/38/88/139133888.db2.gz GZOUNTNVMAHENA-OAGGEKHMSA-N 0 0 335.375 1.907 10 0 EDAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000182692738 296244569 /nfs/dbraw/zinc/24/45/69/296244569.db2.gz OXUCPCAQJNADGS-GJZGRUSLSA-N 0 0 347.463 1.867 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2COc3ccccc3C2)C[C@@H]1C ZINC000247212764 139140666 /nfs/dbraw/zinc/14/06/66/139140666.db2.gz UUUJUDRQOQUCIG-HOCLYGCPSA-N 0 0 333.432 1.352 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)C(C)C ZINC000247520067 139151320 /nfs/dbraw/zinc/15/13/20/139151320.db2.gz ZBHAMTLHYVQJRN-VYDXJSESSA-N 0 0 340.464 1.580 10 0 EDAERN CCOC(=O)C[C@@H](C)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000089929295 217885531 /nfs/dbraw/zinc/88/55/31/217885531.db2.gz BVORERJUVWCDSE-CYBMUJFWSA-N 0 0 336.436 1.898 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C)C1 ZINC000248650531 139170192 /nfs/dbraw/zinc/17/01/92/139170192.db2.gz WSGAESCQNBFTNZ-OLZOCXBDSA-N 0 0 327.454 1.207 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1nnc2n1CCCC2 ZINC000248931694 139180987 /nfs/dbraw/zinc/18/09/87/139180987.db2.gz XWYFWWIXWURKRO-FPMFFAJLSA-N 0 0 333.436 1.932 10 0 EDAERN CC[C@@H](CO)NC(=S)NC(=O)c1ccccc1Br ZINC000009865726 211128953 /nfs/dbraw/zinc/12/89/53/211128953.db2.gz DTXIFYWWPLDNBT-QMMMGPOBSA-N 0 0 331.235 1.824 10 0 EDAERN CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000093170407 218199348 /nfs/dbraw/zinc/19/93/48/218199348.db2.gz DZHNDEJHQKYOLA-INIZCTEOSA-N 0 0 333.432 1.615 10 0 EDAERN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H](O)C[C@@H]1CO ZINC000249273684 139190277 /nfs/dbraw/zinc/19/02/77/139190277.db2.gz CAAMMBXEBCAVRJ-WQAKAFBOSA-N 0 0 332.322 1.460 10 0 EDAERN Cn1nc(-c2ccccc2)c([C@H]2NC(=O)[C@H]3COCCN32)c1Cl ZINC000093884703 218255657 /nfs/dbraw/zinc/25/56/57/218255657.db2.gz NWROWXSIFTZXMI-ABAIWWIYSA-N 0 0 332.791 1.570 10 0 EDAERN CCOCCOc1ccc(C(=O)NC(=S)NC[C@H](C)O)cc1 ZINC000009270948 211061006 /nfs/dbraw/zinc/06/10/06/211061006.db2.gz COHYAXXDUAVMSV-NSHDSACASA-N 0 0 326.418 1.087 10 0 EDAERN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ncc(F)cn2)CC1 ZINC000095083618 218275864 /nfs/dbraw/zinc/27/58/64/218275864.db2.gz NATVUQQKZXVHHM-UHFFFAOYSA-N 0 0 345.396 1.789 10 0 EDAERN COCCCNC(=O)[C@@H](C)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000249907615 139199929 /nfs/dbraw/zinc/19/99/29/139199929.db2.gz VFHADNNKRHVHLS-OLZOCXBDSA-N 0 0 327.450 1.366 10 0 EDAERN Cc1ccc(S(=O)(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000095090160 218280315 /nfs/dbraw/zinc/28/03/15/218280315.db2.gz GXSGDMCFOJJJSP-GFCCVEGCSA-N 0 0 341.433 1.816 10 0 EDAERN O=C(c1cccc2c1OCC(=O)N2)N1CCNC[C@@H]1c1cccnc1 ZINC000261670634 139216128 /nfs/dbraw/zinc/21/61/28/139216128.db2.gz BHTJXKJQMKCINP-OAHLLOKOSA-N 0 0 338.367 1.199 10 0 EDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCCc3c(N)cccc32)o1 ZINC000261909130 139236000 /nfs/dbraw/zinc/23/60/00/139236000.db2.gz XQQDPCSAPLRNJC-UHFFFAOYSA-N 0 0 334.397 1.999 10 0 EDAERN CN(CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ncnc2nc[nH]c21 ZINC000095955473 218462689 /nfs/dbraw/zinc/46/26/89/218462689.db2.gz YXVBLHUZAJYDGK-QWHCGFSZSA-N 0 0 328.420 1.828 10 0 EDAERN Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(C(=O)c3cnc(C)cn3)C2)o1 ZINC000096064972 218559356 /nfs/dbraw/zinc/55/93/56/218559356.db2.gz MDPHBRRELWVAJW-MRVWCRGKSA-N 0 0 329.360 1.264 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N(C)CC1(O)CCOCC1)C(C)C ZINC000188048371 272954457 /nfs/dbraw/zinc/95/44/57/272954457.db2.gz YYYFBOXLPGGMRG-OAHLLOKOSA-N 0 0 328.453 1.173 10 0 EDAERN Cc1nc(C[C@H]2CCCN([C@@H]3CCN(CC(F)(F)F)C3=O)C2)no1 ZINC000171923060 227366114 /nfs/dbraw/zinc/36/61/14/227366114.db2.gz SRDOTSSUHQKNJD-VXGBXAGGSA-N 0 0 346.353 1.796 10 0 EDAERN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000262928647 139313394 /nfs/dbraw/zinc/31/33/94/139313394.db2.gz HRHGHYBCICZWNH-AWEZNQCLSA-N 0 0 338.333 1.933 10 0 EDAERN C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166673448 533039269 /nfs/dbraw/zinc/03/92/69/533039269.db2.gz VBXFUJVRXYAXFC-QWRGUYRKSA-N 0 0 343.177 1.320 10 0 EDAERN C[C@H](NC(=O)N(C)C[C@H](O)COCc1ccccc1)[C@H]1CCCO1 ZINC000112441142 220328424 /nfs/dbraw/zinc/32/84/24/220328424.db2.gz URLYJZITHSHFHJ-BHYGNILZSA-N 0 0 336.432 1.773 10 0 EDAERN Cc1sc2[nH]c([C@H](C)NC[C@@H]3CN(C)CCO3)nc(=O)c2c1C ZINC000112548505 220346761 /nfs/dbraw/zinc/34/67/61/220346761.db2.gz DFRVFZFJVPJACV-CMPLNLGQSA-N 0 0 336.461 1.583 10 0 EDAERN COc1cc(CCC(=O)N[C@@H]2CCc3ncnn3C2)cc(OC)c1 ZINC000112662995 220368546 /nfs/dbraw/zinc/36/85/46/220368546.db2.gz CDYHLAOQUZSBAT-CYBMUJFWSA-N 0 0 330.388 1.359 10 0 EDAERN O=c1/c(=C\c2ccccc2)sc2nc(=O)c(Cc3ccccc3)nn12 ZINC000005683559 285193043 /nfs/dbraw/zinc/19/30/43/285193043.db2.gz IGZGJDDQGLGXQH-FOWTUZBSSA-N 0 0 347.399 1.650 10 0 EDAERN CCOc1ccc(OCC(=O)N[C@@H]2CCc3nc(CC)nn3C2)cc1 ZINC000114864849 220769546 /nfs/dbraw/zinc/76/95/46/220769546.db2.gz KJHFYDHLEFTNTD-CYBMUJFWSA-N 0 0 344.415 1.749 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(N3CCCC3)nc1)CC2 ZINC000114869440 220770381 /nfs/dbraw/zinc/77/03/81/220770381.db2.gz VKVJYCHGFKYTCL-AWEZNQCLSA-N 0 0 340.431 1.581 10 0 EDAERN Cn1nccc1NC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000154092097 224201234 /nfs/dbraw/zinc/20/12/34/224201234.db2.gz ZAAYGVAROPCIBK-CABCVRRESA-N 0 0 342.399 1.473 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)/C=C\c3ccc[nH]3)CC2)n1 ZINC000491981904 255157345 /nfs/dbraw/zinc/15/73/45/255157345.db2.gz XIEZEANXYVUAJT-FMFIFOJESA-N 0 0 329.404 1.879 10 0 EDAERN O=C(/C=C\c1ccncn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000492333858 255171051 /nfs/dbraw/zinc/17/10/51/255171051.db2.gz ADQLKKARRUYTOE-HPFMTEOYSA-N 0 0 338.411 1.368 10 0 EDAERN CCOCCN1CCN(C(=O)CS(=O)(=O)CC(C)C)C[C@H]1CC ZINC000116768516 220987342 /nfs/dbraw/zinc/98/73/42/220987342.db2.gz WSFORSNVCCHLGL-OAHLLOKOSA-N 0 0 348.509 1.017 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3ccnn3C)C2)n1 ZINC000117033556 221024979 /nfs/dbraw/zinc/02/49/79/221024979.db2.gz ULUGRWNAJCVFBS-CQSZACIVSA-N 0 0 331.424 1.250 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)n1 ZINC000116988852 221021105 /nfs/dbraw/zinc/02/11/05/221021105.db2.gz UCNYBJMRIHGCKX-OAHLLOKOSA-N 0 0 330.436 1.716 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000117276709 221041460 /nfs/dbraw/zinc/04/14/60/221041460.db2.gz UDYMAZAMKNMSKH-AWEZNQCLSA-N 0 0 334.416 1.641 10 0 EDAERN COCCN1CCN(C(=O)c2cnn(-c3ccccc3)c2C)C[C@H]1C ZINC000117287692 221046169 /nfs/dbraw/zinc/04/61/69/221046169.db2.gz JIOQKPXJFPSZTF-OAHLLOKOSA-N 0 0 342.443 1.973 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000117369196 221057520 /nfs/dbraw/zinc/05/75/20/221057520.db2.gz XQBMJSFHFQTUFC-HNNXBMFYSA-N 0 0 326.462 1.726 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2ccccc2C)C[C@H]1C ZINC000117369358 221057601 /nfs/dbraw/zinc/05/76/01/221057601.db2.gz RYMZQOZLSYDOJO-OAHLLOKOSA-N 0 0 326.462 1.477 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000117522593 221074806 /nfs/dbraw/zinc/07/48/06/221074806.db2.gz HEIPLLYTGFXENS-HNNXBMFYSA-N 0 0 333.432 1.421 10 0 EDAERN NC(=O)CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000117701168 221082965 /nfs/dbraw/zinc/08/29/65/221082965.db2.gz UMNKBEQIXDRIQU-WDEREUQCSA-N 0 0 334.326 1.779 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1 ZINC000118019524 221106728 /nfs/dbraw/zinc/10/67/28/221106728.db2.gz TXFOLQDQROLGSH-UHFFFAOYSA-N 0 0 344.354 1.436 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115735 221122072 /nfs/dbraw/zinc/12/20/72/221122072.db2.gz NYGUZRLPJBJODT-HNNXBMFYSA-N 0 0 333.432 1.197 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc2c1OCCO2 ZINC000118669733 221166913 /nfs/dbraw/zinc/16/69/13/221166913.db2.gz ABHZTTHMFPWYIC-CYBMUJFWSA-N 0 0 340.383 1.647 10 0 EDAERN COc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1OC ZINC000118671359 221168043 /nfs/dbraw/zinc/16/80/43/221168043.db2.gz VSCWUGUSBWCPPW-AWEZNQCLSA-N 0 0 342.399 1.893 10 0 EDAERN COc1cccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1OC ZINC000118673730 221168154 /nfs/dbraw/zinc/16/81/54/221168154.db2.gz RRNIQSLNUJIMQQ-CYBMUJFWSA-N 0 0 342.399 1.893 10 0 EDAERN Cc1ncc(CN2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)s1 ZINC000118974160 221215354 /nfs/dbraw/zinc/21/53/54/221215354.db2.gz IOWYCBNZUXZGDO-GFCCVEGCSA-N 0 0 331.507 1.250 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1N ZINC000119147543 221253295 /nfs/dbraw/zinc/25/32/95/221253295.db2.gz LQPYYBQNFHMMQE-VIFPVBQESA-N 0 0 338.389 1.179 10 0 EDAERN Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000119765294 221394823 /nfs/dbraw/zinc/39/48/23/221394823.db2.gz JPOKGVHRBRJKFD-CHWSQXEVSA-N 0 0 349.435 1.275 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCOCc1ccccc1 ZINC000154990468 224338448 /nfs/dbraw/zinc/33/84/48/224338448.db2.gz YKCQBRNARPFQEH-OAHLLOKOSA-N 0 0 344.415 1.983 10 0 EDAERN Cc1nnc([C@@H]2CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@H]32)o1 ZINC000248045557 257667564 /nfs/dbraw/zinc/66/75/64/257667564.db2.gz WUFKLBWFOPMZJU-ZNMIVQPWSA-N 0 0 349.412 1.490 10 0 EDAERN CS(=O)(=O)NC[C@@H]1CCC[C@@]2(CCN(Cc3nccs3)C2)O1 ZINC000247510527 257682390 /nfs/dbraw/zinc/68/23/90/257682390.db2.gz IGCDNVGNPQUBDQ-JSGCOSHPSA-N 0 0 345.490 1.206 10 0 EDAERN O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2ccccn2)O1 ZINC000247490559 257683235 /nfs/dbraw/zinc/68/32/35/257683235.db2.gz MHOVAKQYWFWHOY-OAGGEKHMSA-N 0 0 331.416 1.361 10 0 EDAERN Fc1cnc(N2CCO[C@@H]3[C@H](OCC4CCOCC4)CC[C@H]32)nc1 ZINC000503717885 257831054 /nfs/dbraw/zinc/83/10/54/257831054.db2.gz QKRRTLIJINNXLJ-OAGGEKHMSA-N 0 0 337.395 1.795 10 0 EDAERN COc1ccc(C(C)(C)C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000164053120 533356357 /nfs/dbraw/zinc/35/63/57/533356357.db2.gz LVVWNWLBAXNYED-HNNXBMFYSA-N 0 0 344.415 1.999 10 0 EDAERN COC(=O)[C@H]1CCC[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000174648170 533401710 /nfs/dbraw/zinc/40/17/10/533401710.db2.gz YITRDIZIYGTUSY-GJZGRUSLSA-N 0 0 346.431 1.495 10 0 EDAERN CS(=O)(=O)[C@@H]1CSCCN1Cc1cc(F)cc(C(N)=S)c1 ZINC000163118810 533431295 /nfs/dbraw/zinc/43/12/95/533431295.db2.gz RXBSUUASDKJCES-GFCCVEGCSA-N 0 0 348.490 1.379 10 0 EDAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168885597 533492586 /nfs/dbraw/zinc/49/25/86/533492586.db2.gz DVBCFLRXOVOGLC-KOLCDFICSA-N 0 0 338.351 1.214 10 0 EDAERN CN1c2ccccc2O[C@H](CNC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000049739471 132431725 /nfs/dbraw/zinc/43/17/25/132431725.db2.gz AXTQOLKJJMWYGB-MRXNPFEDSA-N 0 0 340.335 1.569 10 0 EDAERN CCNS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)CC ZINC000062368728 132435970 /nfs/dbraw/zinc/43/59/70/132435970.db2.gz KTOPCIQQCJWRHD-UHFFFAOYSA-N 0 0 347.462 1.055 10 0 EDAERN O=C(Cc1ccc(N2CCCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000062631692 132805554 /nfs/dbraw/zinc/80/55/54/132805554.db2.gz XONJQOAWTRKFMO-OAHLLOKOSA-N 0 0 336.457 1.523 10 0 EDAERN Cc1csc([C@@H]2CN(C(=O)c3cnn4ccncc34)CCO2)n1 ZINC000328676920 140669529 /nfs/dbraw/zinc/66/95/29/140669529.db2.gz LTMRVNCYLZAKGX-ZDUSSCGKSA-N 0 0 329.385 1.708 10 0 EDAERN O=C([C@H]1CCCC(=O)N1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000333067252 141258361 /nfs/dbraw/zinc/25/83/61/141258361.db2.gz JOLUJLCRKYJRFI-NVXWUHKLSA-N 0 0 341.411 1.630 10 0 EDAERN Cc1nc2c(nccc2C(=O)N[C@H]2CCCO[C@@H]2c2nccn2C)[nH]1 ZINC000333157812 141273547 /nfs/dbraw/zinc/27/35/47/141273547.db2.gz MVLZNCXIXNEPJF-JSGCOSHPSA-N 0 0 340.387 1.650 10 0 EDAERN CO[C@@H]1CN(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)C[C@H]1OC ZINC000333285013 141292887 /nfs/dbraw/zinc/29/28/87/141292887.db2.gz KGORTEDTTFAUON-IACUBPJLSA-N 0 0 338.408 1.192 10 0 EDAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000333572337 141339084 /nfs/dbraw/zinc/33/90/84/141339084.db2.gz IUBLBTCUHGCHFK-JJXSEGSLSA-N 0 0 349.475 1.890 10 0 EDAERN Cc1nnc(CN2CCN(C(=O)CCCc3ccccc3)CC2)n1C ZINC000130784653 148932738 /nfs/dbraw/zinc/93/27/38/148932738.db2.gz DUPJSEHEWZDWCQ-UHFFFAOYSA-N 0 0 341.459 1.791 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cnn1C1CCCC1 ZINC000192957213 148957382 /nfs/dbraw/zinc/95/73/82/148957382.db2.gz LPYBOVJXFYPTOF-ABAIWWIYSA-N 0 0 334.420 1.929 10 0 EDAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)N2CCCCCC2)C12CCOCC2 ZINC000185153518 286286265 /nfs/dbraw/zinc/28/62/65/286286265.db2.gz OWSDIUKUXMNZMY-HUUCEWRRSA-N 0 0 346.493 1.671 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CCC(=O)N(CC)CC)C12CCOCC2 ZINC000187057319 286343572 /nfs/dbraw/zinc/34/35/72/286343572.db2.gz RFAAWTHNGWYQRO-LSDHHAIUSA-N 0 0 340.464 1.725 10 0 EDAERN CCOc1ncccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171399002 286588384 /nfs/dbraw/zinc/58/83/84/286588384.db2.gz NKQUMKJZPQMMNI-AWEZNQCLSA-N 0 0 343.387 1.516 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)Oc2cccc(F)c2)C1 ZINC000075109903 287275105 /nfs/dbraw/zinc/27/51/05/287275105.db2.gz MENZZWOOVJPMHI-WFASDCNBSA-N 0 0 337.395 1.903 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCNC(=O)c1ccco1 ZINC000078774838 287295323 /nfs/dbraw/zinc/29/53/23/287295323.db2.gz SQOKQEWUPSHDKZ-GFCCVEGCSA-N 0 0 344.371 1.336 10 0 EDAERN CC(=O)N[C@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)C1CCCC1 ZINC000081450306 287313121 /nfs/dbraw/zinc/31/31/21/287313121.db2.gz YYEDPWIMJYIMEE-FZMZJTMJSA-N 0 0 326.437 1.870 10 0 EDAERN NS(=O)(=O)c1cn(CCOc2ccc(Br)cc2)cn1 ZINC000159382968 225206760 /nfs/dbraw/zinc/20/67/60/225206760.db2.gz UDBMAVUMQZJGGF-UHFFFAOYSA-N 0 0 346.206 1.372 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)nc3)C2)c1 ZINC000163486035 225978907 /nfs/dbraw/zinc/97/89/07/225978907.db2.gz BEBGXIPIPGOZAT-CYBMUJFWSA-N 0 0 331.351 1.528 10 0 EDAERN C[C@H](Nc1nc[n-]c(=O)c1I)[C@H]1CCC[NH2+]C1 ZINC000164268080 226059162 /nfs/dbraw/zinc/05/91/62/226059162.db2.gz QVJFPZUUSOVTQG-YUMQZZPRSA-N 0 0 348.188 1.175 10 0 EDAERN O=c1c(I)c(Cl)ncn1[C@@H]1CCOC1 ZINC000166336902 226155078 /nfs/dbraw/zinc/15/50/78/226155078.db2.gz SXSLVWNXUGCVAJ-RXMQYKEDSA-N 0 0 326.521 1.463 10 0 EDAERN Cc1cc(N2CCOC[C@@H]2C(=O)NC2CC2)ncc1Br ZINC000166328624 226155720 /nfs/dbraw/zinc/15/57/20/226155720.db2.gz QHIFFHSTDQYSHZ-GFCCVEGCSA-N 0 0 340.221 1.636 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1CC(=O)c1ccc(Br)s1 ZINC000168204947 226209446 /nfs/dbraw/zinc/20/94/46/226209446.db2.gz FYYIXVXBNUSPOX-RKDXNWHRSA-N 0 0 334.235 1.775 10 0 EDAERN O=C(c1ncc(Cl)c(Cl)c1Cl)N1CCO[C@H](CO)C1 ZINC000168351094 226213403 /nfs/dbraw/zinc/21/34/03/226213403.db2.gz FDFOQGFYWFFLGE-LURJTMIESA-N 0 0 325.579 1.875 10 0 EDAERN O=C(c1ncc(Cl)c(Cl)c1Cl)N1CCO[C@@H](CO)C1 ZINC000168351198 226213764 /nfs/dbraw/zinc/21/37/64/226213764.db2.gz FDFOQGFYWFFLGE-ZCFIWIBFSA-N 0 0 325.579 1.875 10 0 EDAERN CN(C(=O)[C@@H]1CCCCS1(=O)=O)c1cccc(C(N)=S)c1 ZINC000168477491 226215095 /nfs/dbraw/zinc/21/50/95/226215095.db2.gz UHTHQEDPWKXDSK-LBPRGKRZSA-N 0 0 326.443 1.251 10 0 EDAERN Nc1cc(Br)ccc1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000168495555 226215552 /nfs/dbraw/zinc/21/55/52/226215552.db2.gz IXEAGFDLBHBKSM-SNVBAGLBSA-N 0 0 338.205 1.478 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@@H](C)C[S@](C)=O)c2c1NCCC2 ZINC000168994611 226229382 /nfs/dbraw/zinc/22/93/82/226229382.db2.gz HVOFGEBQKIWCFP-PRWKNARSSA-N 0 0 330.475 1.398 10 0 EDAERN O=S(=O)(NCc1cncs1)c1cncc(Br)c1 ZINC000169034001 226229746 /nfs/dbraw/zinc/22/97/46/226229746.db2.gz FZRLCSVSVASAAB-UHFFFAOYSA-N 0 0 334.220 1.779 10 0 EDAERN COCCOCC(=O)NC1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000125962853 287413846 /nfs/dbraw/zinc/41/38/46/287413846.db2.gz BTXZTWQUWRTHIR-WLYUNCDWSA-N 0 0 328.453 1.485 10 0 EDAERN CCOCCO[C@@H](C)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122120193 222018925 /nfs/dbraw/zinc/01/89/25/222018925.db2.gz SLGBIMQSMZTANQ-GJZGRUSLSA-N 0 0 336.436 1.345 10 0 EDAERN Cc1cc(C[C@@H](C)NC(=O)N[C@H](C)c2nnc3n2CCCC3)[nH]n1 ZINC000122133625 222021570 /nfs/dbraw/zinc/02/15/70/222021570.db2.gz RIJIJPDSTKEJJU-ZYHUDNBSSA-N 0 0 331.424 1.637 10 0 EDAERN CCOC(=O)c1ccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)o1 ZINC000122493722 222099421 /nfs/dbraw/zinc/09/94/21/222099421.db2.gz ZDPDXYCWVXLKSK-HNNXBMFYSA-N 0 0 333.388 1.862 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CO)c1ccccc1 ZINC000122559001 222112142 /nfs/dbraw/zinc/11/21/42/222112142.db2.gz JUUQEDZZHPTHLZ-KGLIPLIRSA-N 0 0 345.403 1.292 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000122373479 222074998 /nfs/dbraw/zinc/07/49/98/222074998.db2.gz AQSXMNHCYPQQIL-ZWNOBZJWSA-N 0 0 346.435 1.801 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccc(F)cn2)CC1 ZINC000123388311 222269293 /nfs/dbraw/zinc/26/92/93/222269293.db2.gz MSDHJYWOHYZAER-UHFFFAOYSA-N 0 0 346.410 1.921 10 0 EDAERN C[C@@H](Nc1ccn(CCC(N)=O)n1)C(=O)N[C@H](C)c1ccccc1 ZINC000124953585 222500031 /nfs/dbraw/zinc/50/00/31/222500031.db2.gz NMEBLUXNESTKNX-CHWSQXEVSA-N 0 0 329.404 1.436 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(N)nc(Cl)c3)CCO2)n1 ZINC000171858914 227320195 /nfs/dbraw/zinc/32/01/95/227320195.db2.gz FXFDTYVTIJXWOW-CYBMUJFWSA-N 0 0 349.822 1.672 10 0 EDAERN O=C(Nc1nc2c(s1)COCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000172259175 227578177 /nfs/dbraw/zinc/57/81/77/227578177.db2.gz LQLPYSRRZMPXDY-NSHDSACASA-N 0 0 349.416 1.345 10 0 EDAERN COC(=O)C[C@@H](NC(=O)COCc1cc(C)no1)c1ccccc1 ZINC000193296086 272990609 /nfs/dbraw/zinc/99/06/09/272990609.db2.gz CMHYNBDCQSBCTH-OAHLLOKOSA-N 0 0 332.356 1.920 10 0 EDAERN COCCN1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)C[C@@H]1C ZINC000247226537 273016001 /nfs/dbraw/zinc/01/60/01/273016001.db2.gz QUUGZAPTFKDGGZ-HOTGVXAUSA-N 0 0 331.460 1.617 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCC(C)(C)CO)C1 ZINC000086404743 267422401 /nfs/dbraw/zinc/42/24/01/267422401.db2.gz ATWOJKJOQFGYJG-AWEZNQCLSA-N 0 0 327.469 1.875 10 0 EDAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000193814360 267849043 /nfs/dbraw/zinc/84/90/43/267849043.db2.gz UOHXZNIHIBXVPB-JTQLQIEISA-N 0 0 336.335 1.393 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cccnc3NC(C)C)CCO2)c1 ZINC000173418759 272933954 /nfs/dbraw/zinc/93/39/54/272933954.db2.gz CYEMCXGGKDCNGS-HNNXBMFYSA-N 0 0 343.431 1.948 10 0 EDAERN CCOC(C)(C)CNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000187568016 272950769 /nfs/dbraw/zinc/95/07/69/272950769.db2.gz UQNAEPRFQMPNEN-OAHLLOKOSA-N 0 0 338.452 1.725 10 0 EDAERN CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc2c(c1)OCO2 ZINC000004279674 276294993 /nfs/dbraw/zinc/29/49/93/276294993.db2.gz QCYFMHFFTPGYOH-OLZOCXBDSA-N 0 0 348.384 1.637 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)CC1 ZINC000181226236 276444373 /nfs/dbraw/zinc/44/43/73/276444373.db2.gz BAEKXWCFLJKETR-OAHLLOKOSA-N 0 0 348.447 1.436 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cn(CC(N)=O)nn2)o1 ZINC000173404278 276670653 /nfs/dbraw/zinc/67/06/53/276670653.db2.gz GCUHBKPAYVWXJD-ZDUSSCGKSA-N 0 0 331.376 1.286 10 0 EDAERN CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 ZINC000096113026 277006626 /nfs/dbraw/zinc/00/66/26/277006626.db2.gz KATBRIPEBWKPLG-DLBZAZTESA-N 0 0 329.444 1.431 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1F ZINC000173961261 278185075 /nfs/dbraw/zinc/18/50/75/278185075.db2.gz APMKPKIJEJAUBH-SJKOYZFVSA-N 0 0 349.406 1.577 10 0 EDAERN CC(C)C[C@H](C)NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000190331394 279106888 /nfs/dbraw/zinc/10/68/88/279106888.db2.gz DEJFLPDIGGVKQB-JSGCOSHPSA-N 0 0 342.465 1.336 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000081580211 279136871 /nfs/dbraw/zinc/13/68/71/279136871.db2.gz QQCGXZWAVRBTRY-LLVKDONJSA-N 0 0 343.412 1.896 10 0 EDAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000333433975 288108949 /nfs/dbraw/zinc/10/89/49/288108949.db2.gz UYVLXWDIMCSGSC-TZMCWYRMSA-N 0 0 344.415 1.184 10 0 EDAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330068401 288110833 /nfs/dbraw/zinc/11/08/33/288110833.db2.gz VHTTZPMPUMOCKY-UKRRQHHQSA-N 0 0 341.415 1.720 10 0 EDAERN CCOC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000119187997 279550613 /nfs/dbraw/zinc/55/06/13/279550613.db2.gz MLMWVNGIFBDUMK-XJKSGUPXSA-N 0 0 336.363 1.367 10 0 EDAERN C[C@H]1CN(C(=O)NC2Cc3ccccc3C2)C[C@@H]1N1CCOCC1 ZINC000184935072 279795521 /nfs/dbraw/zinc/79/55/21/279795521.db2.gz FVNXXMKLEUCZDX-KSSFIOAISA-N 0 0 329.444 1.516 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C[C@@]12CCCO2 ZINC000334063149 280049900 /nfs/dbraw/zinc/04/99/00/280049900.db2.gz BXGQHWYNIACMQA-XFMPKHEZSA-N 0 0 330.450 1.019 10 0 EDAERN CC[C@@H]1CCCC[C@H]1CN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O ZINC000333557892 280268613 /nfs/dbraw/zinc/26/86/13/280268613.db2.gz QEGWDOJEQBTNKC-FRRDWIJNSA-N 0 0 328.434 1.264 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccnc1C(F)(F)F)CC2 ZINC000188385484 281529218 /nfs/dbraw/zinc/52/92/18/281529218.db2.gz VFURJKDTPGQEPZ-SECBINFHSA-N 0 0 339.321 1.999 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCS(=O)CC2)[C@@H]1c1ccccc1 ZINC000171804274 289801388 /nfs/dbraw/zinc/80/13/88/289801388.db2.gz XWXQFEVSOJGLCE-HOCLYGCPSA-N 0 0 334.441 1.187 10 0 EDAERN Cc1ccccc1[C@H](CC(=O)N1CCC[C@@H]1C(=O)N(C)C)NC(N)=O ZINC000121724938 302181110 /nfs/dbraw/zinc/18/11/10/302181110.db2.gz BLOVYZGLISPSNZ-LSDHHAIUSA-N 0 0 346.431 1.174 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccc(OCC(F)(F)F)nc1 ZINC000170756242 302939616 /nfs/dbraw/zinc/93/96/16/302939616.db2.gz MFIIBXCRZPBPMN-UWVGGRQHSA-N 0 0 332.278 1.448 10 0 EDAERN NC(=O)[C@H]1COCCN1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000092229023 303334209 /nfs/dbraw/zinc/33/42/09/303334209.db2.gz DVXDOWRDXHWNEA-SJLPKXTDSA-N 0 0 345.443 1.220 10 0 EDAERN Cc1ccccc1CN1CCN(CC(=O)NC[C@H]2CCCO2)C1=O ZINC000000428382 440823160 /nfs/dbraw/zinc/82/31/60/440823160.db2.gz BKFSWNXYDMGART-MRXNPFEDSA-N 0 0 331.416 1.528 10 0 EDAERN Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c2cc3ccccc3n21 ZINC000006803298 441016583 /nfs/dbraw/zinc/01/65/83/441016583.db2.gz VVEBJLHXQWLNAO-AWEZNQCLSA-N 0 0 340.383 1.253 10 0 EDAERN Cc1cnn(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000080212249 441151184 /nfs/dbraw/zinc/15/11/84/441151184.db2.gz XZOZRIQRLZGYKD-CYBMUJFWSA-N 0 0 335.429 1.863 10 0 EDAERN COCCCCN(Cc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104797284 441210917 /nfs/dbraw/zinc/21/09/17/441210917.db2.gz LBDAKTFESBQSAM-SFHVURJKSA-N 0 0 349.475 1.955 10 0 EDAERN CC(C)C(=O)N[C@@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1 ZINC000080975879 441215148 /nfs/dbraw/zinc/21/51/48/441215148.db2.gz XRHVKALRTBEMJI-CYBMUJFWSA-N 0 0 328.420 1.743 10 0 EDAERN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105281802 441247988 /nfs/dbraw/zinc/24/79/88/441247988.db2.gz LAJJGMSBPAJKJD-MRXNPFEDSA-N 0 0 348.447 1.284 10 0 EDAERN CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000048061455 441255551 /nfs/dbraw/zinc/25/55/51/441255551.db2.gz AGCWZYCDJJDCIB-LBPRGKRZSA-N 0 0 331.438 1.620 10 0 EDAERN CCC(C)(C)NC(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801377 441273823 /nfs/dbraw/zinc/27/38/23/441273823.db2.gz RBHKMZDIEALWEY-OAHLLOKOSA-N 0 0 333.480 1.990 10 0 EDAERN CC(C)CNC(=O)[C@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820465 441278778 /nfs/dbraw/zinc/27/87/78/441278778.db2.gz NOBZJWONHZTCBI-FUHWJXTLSA-N 0 0 333.476 1.498 10 0 EDAERN COCCN1CCN(CC(=O)N(C)C2CCC(C)CC2)C[C@H]1C ZINC000105832453 441285978 /nfs/dbraw/zinc/28/59/78/441285978.db2.gz WSDXECBWOHAKJP-AQFXKWCLSA-N 0 0 325.497 1.676 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cc(C)n[nH]3)CC2)cn1 ZINC000105834292 441287098 /nfs/dbraw/zinc/28/70/98/441287098.db2.gz CYPXYBNGZMZOJM-UHFFFAOYSA-N 0 0 330.436 1.673 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000081589030 441293866 /nfs/dbraw/zinc/29/38/66/441293866.db2.gz UNXRFPYHGLRAML-CHWSQXEVSA-N 0 0 335.408 1.406 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000106397199 441338198 /nfs/dbraw/zinc/33/81/98/441338198.db2.gz YTZPLSCRTPMSGW-GOSISDBHSA-N 0 0 342.443 1.460 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000106395076 441338559 /nfs/dbraw/zinc/33/85/59/441338559.db2.gz QVEQZLLCYJUWGE-DOTOQJQBSA-N 0 0 347.459 1.110 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CC1 ZINC000049086031 441345400 /nfs/dbraw/zinc/34/54/00/441345400.db2.gz FCTAXBHBKLNDFG-QMMMGPOBSA-N 0 0 344.820 1.597 10 0 EDAERN CC(=O)c1ccc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105883179 441305512 /nfs/dbraw/zinc/30/55/12/441305512.db2.gz MQAMCCQJKHQGOH-OAHLLOKOSA-N 0 0 341.415 1.831 10 0 EDAERN CC(=O)c1ccc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105883177 441306103 /nfs/dbraw/zinc/30/61/03/441306103.db2.gz MQAMCCQJKHQGOH-HNNXBMFYSA-N 0 0 341.415 1.831 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3ccccc3)CCO2)n1 ZINC000105893214 441310345 /nfs/dbraw/zinc/31/03/45/441310345.db2.gz KKFPPIICKMITSR-QGZVFWFLSA-N 0 0 328.416 1.839 10 0 EDAERN CCc1cc(N2CCN([C@@H](C)C(N)=O)CC2)nc(-c2ccncc2)n1 ZINC000085704808 441447916 /nfs/dbraw/zinc/44/79/16/441447916.db2.gz MUFFKNHJDXOHGF-ZDUSSCGKSA-N 0 0 340.431 1.097 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000109089679 441487606 /nfs/dbraw/zinc/48/76/06/441487606.db2.gz XDZFRPRZQQSETN-NWDGAFQWSA-N 0 0 334.326 1.650 10 0 EDAERN CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109095586 441488524 /nfs/dbraw/zinc/48/85/24/441488524.db2.gz BWEBVBSUOLAMAU-NWDGAFQWSA-N 0 0 346.399 1.514 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000087563463 441493432 /nfs/dbraw/zinc/49/34/32/441493432.db2.gz SICHWFXTYAHGAC-KGLIPLIRSA-N 0 0 340.383 1.573 10 0 EDAERN C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000087896374 441495056 /nfs/dbraw/zinc/49/50/56/441495056.db2.gz KMXGBPMUXYRREA-GZMMTYOYSA-N 0 0 332.809 1.285 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000088200074 441495674 /nfs/dbraw/zinc/49/56/74/441495674.db2.gz WPSZNMBSAQRNQV-LBPRGKRZSA-N 0 0 340.387 1.135 10 0 EDAERN NS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000089202550 441528155 /nfs/dbraw/zinc/52/81/55/441528155.db2.gz KLAHDQXVMSLYOW-UHFFFAOYSA-N 0 0 342.380 1.976 10 0 EDAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111075354 441528746 /nfs/dbraw/zinc/52/87/46/441528746.db2.gz UNVZJVOOZBUNOG-OKZBNKHCSA-N 0 0 341.411 1.923 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000109856956 441511022 /nfs/dbraw/zinc/51/10/22/441511022.db2.gz GPDPRGSKPPMJFY-LBPRGKRZSA-N 0 0 325.376 1.589 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000076033875 441580533 /nfs/dbraw/zinc/58/05/33/441580533.db2.gz HMRCADVPKSMHNS-DOMZBBRYSA-N 0 0 332.404 1.487 10 0 EDAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076098185 441597369 /nfs/dbraw/zinc/59/73/69/441597369.db2.gz VVIHWMDGFXEHQQ-OIBJUYFYSA-N 0 0 327.178 1.921 10 0 EDAERN CC(C)[NH2+]C[C@H](O)COc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000034646783 441600924 /nfs/dbraw/zinc/60/09/24/441600924.db2.gz SUNTVDCSRSRSTG-LBPRGKRZSA-N 0 0 339.413 1.824 10 0 EDAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113888148 441626867 /nfs/dbraw/zinc/62/68/67/441626867.db2.gz VWLPBWJJLZGOHB-STQMWFEESA-N 0 0 343.474 1.384 10 0 EDAERN O=C(NCCN1C(=O)CCC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000113967128 441629163 /nfs/dbraw/zinc/62/91/63/441629163.db2.gz FCIWQVTUJFSXJC-NXEZZACHSA-N 0 0 335.326 1.556 10 0 EDAERN CCOC(=O)C1CCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000114483954 441663141 /nfs/dbraw/zinc/66/31/41/441663141.db2.gz ZONGAPJMQAFQSI-MRXNPFEDSA-N 0 0 348.447 1.738 10 0 EDAERN Cc1cc(=O)n2nc(CN3CCCC[C@H]3c3cn[nH]c3)sc2n1 ZINC000114483909 441663371 /nfs/dbraw/zinc/66/33/71/441663371.db2.gz SYVHAJQBFZPSLY-LBPRGKRZSA-N 0 0 330.417 1.910 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1cn[nH]c1)N1CCN(C(=O)C2CC2)CC1 ZINC000114482057 441663836 /nfs/dbraw/zinc/66/38/36/441663836.db2.gz UIMFUHJPGQGYKL-MRXNPFEDSA-N 0 0 345.447 1.018 10 0 EDAERN CCOc1ccc(C(=O)N[C@H]2CCc3nc(CC)nn3C2)cc1OC ZINC000114867609 441693736 /nfs/dbraw/zinc/69/37/36/441693736.db2.gz VBCSKOKPIPJEBE-ZDUSSCGKSA-N 0 0 344.415 1.993 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)CC2 ZINC000114867529 441693846 /nfs/dbraw/zinc/69/38/46/441693846.db2.gz PNGXKCPHENFTRX-AWEZNQCLSA-N 0 0 336.399 1.771 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)CC2 ZINC000114874910 441694287 /nfs/dbraw/zinc/69/42/87/441694287.db2.gz GGZAXTYUPQDICJ-CYBMUJFWSA-N 0 0 348.428 1.336 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCOc1ccc(C)cc1)CC2 ZINC000114911018 441696364 /nfs/dbraw/zinc/69/63/64/441696364.db2.gz IWLJQSAVWUTLIA-AWEZNQCLSA-N 0 0 343.431 1.842 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccccn2)ncn1 ZINC000173289719 441703938 /nfs/dbraw/zinc/70/39/38/441703938.db2.gz ZSUGBYHDDYJQEZ-LBPRGKRZSA-N 0 0 327.392 1.704 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1csc(CC)n1)CC2 ZINC000114962761 441705545 /nfs/dbraw/zinc/70/55/45/441705545.db2.gz DQUAGKWUGDLJPZ-SNVBAGLBSA-N 0 0 334.449 1.674 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(n3ccnc3)CC1)CC2 ZINC000114977224 441707361 /nfs/dbraw/zinc/70/73/61/441707361.db2.gz IWFJDLWARVVYLV-CYBMUJFWSA-N 0 0 343.435 1.399 10 0 EDAERN COC(=O)[C@H](c1cccnc1)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000158240026 441711529 /nfs/dbraw/zinc/71/15/29/441711529.db2.gz KRCLPQRAIOXMNF-BBRMVZONSA-N 0 0 330.388 1.942 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)n1 ZINC000173421459 441743891 /nfs/dbraw/zinc/74/38/91/441743891.db2.gz MGYZMOZFOSAVOY-LLVKDONJSA-N 0 0 325.459 1.690 10 0 EDAERN CCn1cc(CN2CCCN(Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000121647010 441749750 /nfs/dbraw/zinc/74/97/50/441749750.db2.gz MLDCDRXWJRBMLU-UHFFFAOYSA-N 0 0 347.488 1.771 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1nnc2n1CCCC2 ZINC000121721885 441764562 /nfs/dbraw/zinc/76/45/62/441764562.db2.gz JOYDKLFWNNZOEZ-SECBINFHSA-N 0 0 342.371 1.932 10 0 EDAERN COc1ccc(NC(=O)[C@H](C)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173353386 441721885 /nfs/dbraw/zinc/72/18/85/441721885.db2.gz UTSSWCYFLCFWIP-XHDPSFHLSA-N 0 0 345.403 1.522 10 0 EDAERN CC(C)n1ncc2cc(C=CC(=O)N3[C@H](C)COC[C@H]3C)c(=O)[nH]c21 ZINC000077139033 441722437 /nfs/dbraw/zinc/72/24/37/441722437.db2.gz QELBGYLWPNMLOP-FBVTZJDUSA-N 0 0 344.415 1.955 10 0 EDAERN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077148547 441723534 /nfs/dbraw/zinc/72/35/34/441723534.db2.gz VKDISOAIJPNFLX-WFASDCNBSA-N 0 0 330.384 1.340 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000173653038 441816501 /nfs/dbraw/zinc/81/65/01/441816501.db2.gz WGXDAXHZXYFINO-CYBMUJFWSA-N 0 0 331.397 1.716 10 0 EDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cn1 ZINC000116371526 441816955 /nfs/dbraw/zinc/81/69/55/441816955.db2.gz IQPBLKLXPVMVJH-LBPRGKRZSA-N 0 0 349.412 1.370 10 0 EDAERN CCSc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)ccn1 ZINC000173520700 441776066 /nfs/dbraw/zinc/77/60/66/441776066.db2.gz QJMKANWYLDTSQH-LBPRGKRZSA-N 0 0 333.417 1.834 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1nnc2n1CCCC2 ZINC000121785277 441779688 /nfs/dbraw/zinc/77/96/88/441779688.db2.gz ACSXXUWEQWUQOC-SECBINFHSA-N 0 0 341.824 1.702 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)CC3CCCCC3)CCO2)[nH]1 ZINC000173540347 441784855 /nfs/dbraw/zinc/78/48/55/441784855.db2.gz KLFIICYXTADXBQ-AWEZNQCLSA-N 0 0 349.435 1.100 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cc4c(s3)CCOC4)CCO2)[nH]1 ZINC000173560914 441791589 /nfs/dbraw/zinc/79/15/89/441791589.db2.gz ZVYFWYCRLCTPSL-NSHDSACASA-N 0 0 348.428 1.715 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)[nH]1 ZINC000138593853 441793591 /nfs/dbraw/zinc/79/35/91/441793591.db2.gz SIUQPHZWWBXOEO-CQSZACIVSA-N 0 0 345.403 1.398 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)CCC3CCCC3)C2)cn1 ZINC000116228432 441803280 /nfs/dbraw/zinc/80/32/80/441803280.db2.gz OFNFLIFMXWHTAV-HNNXBMFYSA-N 0 0 332.448 1.823 10 0 EDAERN C[C@@H](CC(=O)N1CC[C@@H](c2cnn(C)c2)C1)NC(=O)c1ccccc1 ZINC000116228732 441803287 /nfs/dbraw/zinc/80/32/87/441803287.db2.gz BQYPDDLESDDBQT-GOEBONIOSA-N 0 0 340.427 1.945 10 0 EDAERN N#CC1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000116884849 441857289 /nfs/dbraw/zinc/85/72/89/441857289.db2.gz UBZBVFWUXRILDW-UHFFFAOYSA-N 0 0 342.808 1.755 10 0 EDAERN Cc1ccc(NCCCNC(=O)N2CCC[C@H](n3cncn3)C2)nc1 ZINC000173925169 441863938 /nfs/dbraw/zinc/86/39/38/441863938.db2.gz SUVRDOJOTNWQDQ-HNNXBMFYSA-N 0 0 343.435 1.830 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000117283137 441866601 /nfs/dbraw/zinc/86/66/01/441866601.db2.gz IDYUQZFMFGVIQJ-PBHICJAKSA-N 0 0 346.427 1.337 10 0 EDAERN Cc1cccc(C)c1NCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173972160 441871822 /nfs/dbraw/zinc/87/18/22/441871822.db2.gz FBITWTYXUUJCPW-IAGOWNOFSA-N 0 0 331.460 1.894 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2Cl)CN1 ZINC000116576504 441831711 /nfs/dbraw/zinc/83/17/11/441831711.db2.gz NLXZWFXAQKBCRM-SKDRFNHKSA-N 0 0 337.763 1.574 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000173760586 441834532 /nfs/dbraw/zinc/83/45/32/441834532.db2.gz WZUSCMJHGUCQHZ-RDJZCZTQSA-N 0 0 346.431 1.543 10 0 EDAERN CCC(=O)Nc1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173800558 441842192 /nfs/dbraw/zinc/84/21/92/441842192.db2.gz VSOXYGNKNCTCLQ-INIZCTEOSA-N 0 0 346.431 1.974 10 0 EDAERN C[C@H]1CCN(c2ncnc3c2c(Br)nn3C)C[C@@H]1O ZINC000092978120 441845403 /nfs/dbraw/zinc/84/54/03/441845403.db2.gz ZHPOWJKGURSTID-YUMQZZPRSA-N 0 0 326.198 1.333 10 0 EDAERN Cc1nc(C)c(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)s1 ZINC000173848496 441850431 /nfs/dbraw/zinc/85/04/31/441850431.db2.gz SELJDMPHTXMFOC-CQSZACIVSA-N 0 0 338.477 1.419 10 0 EDAERN Cn1cc([C@H](O)CNc2cnn(-c3ccccc3)c(=O)c2Cl)cn1 ZINC000078375349 441926166 /nfs/dbraw/zinc/92/61/66/441926166.db2.gz JNNIZGRJUPSHTP-CQSZACIVSA-N 0 0 345.790 1.765 10 0 EDAERN Cn1cc(-n2ccc(=O)c(C(=O)c3ccc4ncccc4c3)n2)cn1 ZINC000118475538 441895710 /nfs/dbraw/zinc/89/57/10/441895710.db2.gz BZWBVUVHFKRVCJ-UHFFFAOYSA-N 0 0 331.335 1.745 10 0 EDAERN Cc1ccc(-n2[n-]c(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc2=O)cc1 ZINC000174849107 441975200 /nfs/dbraw/zinc/97/52/00/441975200.db2.gz FBDFCLOCHZODRC-GOEBONIOSA-N 0 0 340.427 1.783 10 0 EDAERN CC[C@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)CC[N@@H+]1CCOC ZINC000174484879 441929857 /nfs/dbraw/zinc/92/98/57/441929857.db2.gz NHRXMBRNAVOBPA-INIZCTEOSA-N 0 0 335.452 1.868 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000119933944 441978666 /nfs/dbraw/zinc/97/86/66/441978666.db2.gz KUBLWJDAQUCBRO-AWEZNQCLSA-N 0 0 336.436 1.723 10 0 EDAERN NS(=O)(=O)C[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000095829522 441953825 /nfs/dbraw/zinc/95/38/25/441953825.db2.gz CHYAVYRZFLNQAJ-QMMMGPOBSA-N 0 0 333.207 1.091 10 0 EDAERN COCCn1ccc(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)n1 ZINC000150822537 441956976 /nfs/dbraw/zinc/95/69/76/441956976.db2.gz VURQFTSYSUPLTQ-AWEZNQCLSA-N 0 0 332.408 1.903 10 0 EDAERN COC(=O)c1cccc(NC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000175014864 441995477 /nfs/dbraw/zinc/99/54/77/441995477.db2.gz NPIPKOVXWIXYOP-AWEZNQCLSA-N 0 0 329.360 1.934 10 0 EDAERN Cn1nnc2cc(C(=O)N[C@@H]3CCCN(c4cccnn4)C3)ccc21 ZINC000125073283 441980996 /nfs/dbraw/zinc/98/09/96/441980996.db2.gz ONTBLHXJZIGQHL-CYBMUJFWSA-N 0 0 337.387 1.157 10 0 EDAERN CCOCCO[C@@H](C)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000175130331 442008302 /nfs/dbraw/zinc/00/83/02/442008302.db2.gz CYGDCPXDNAMUMU-LBPRGKRZSA-N 0 0 325.409 1.959 10 0 EDAERN CCOCCC1(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000161628045 442017820 /nfs/dbraw/zinc/01/78/20/442017820.db2.gz HYVMIDOKJAASRR-OAHLLOKOSA-N 0 0 325.453 1.309 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 ZINC000161726421 442028191 /nfs/dbraw/zinc/02/81/91/442028191.db2.gz LOHDYQIYRZWZOA-HNNXBMFYSA-N 0 0 342.403 1.615 10 0 EDAERN COc1ccc(CCNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000175611108 442093781 /nfs/dbraw/zinc/09/37/81/442093781.db2.gz FINSPRJAXFZXNO-MAUKXSAKSA-N 0 0 347.459 1.600 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NC[C@@H](C)Oc3ccccc3)CCO2)[nH]1 ZINC000175536471 442081622 /nfs/dbraw/zinc/08/16/22/442081622.db2.gz WQFWWSINRXSCBX-DOMZBBRYSA-N 0 0 345.403 1.664 10 0 EDAERN CCn1cc(CN2CCCN(S(=O)(=O)CCCF)CC2)cn1 ZINC000175572355 442087562 /nfs/dbraw/zinc/08/75/62/442087562.db2.gz AAMPIRCZMRKMBZ-UHFFFAOYSA-N 0 0 332.445 1.100 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cn(CCC(C)C)nn2)C1 ZINC000151745260 442114170 /nfs/dbraw/zinc/11/41/70/442114170.db2.gz VXAHZNHSMBMCDS-CQSZACIVSA-N 0 0 345.451 1.955 10 0 EDAERN Cc1ccccc1Cc1noc(CN2CC[C@H](N3CCOCC3)C2)n1 ZINC000175740167 442114830 /nfs/dbraw/zinc/11/48/30/442114830.db2.gz YBSLVPQTFHGMBG-KRWDZBQOSA-N 0 0 342.443 1.875 10 0 EDAERN CN(C)c1nc2ccc(NC(=O)NCCN3CCOCC3)cc2o1 ZINC000162712779 442117158 /nfs/dbraw/zinc/11/71/58/442117158.db2.gz BUQJWGYVJDHQFA-UHFFFAOYSA-N 0 0 333.392 1.348 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000120718444 442123040 /nfs/dbraw/zinc/12/30/40/442123040.db2.gz CMDPHRSUWWAUGO-HIFRSBDPSA-N 0 0 348.447 1.791 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1cccc(C(N)=O)c1 ZINC000175796138 442124536 /nfs/dbraw/zinc/12/45/36/442124536.db2.gz MQCZZSVIARTCGL-MRXNPFEDSA-N 0 0 341.415 1.665 10 0 EDAERN Cc1cnn(Cc2cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)no2)c1 ZINC000151815910 442124600 /nfs/dbraw/zinc/12/46/00/442124600.db2.gz SWTGYGIJGUQJJM-UONOGXRCSA-N 0 0 329.404 1.537 10 0 EDAERN Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175821138 442128957 /nfs/dbraw/zinc/12/89/57/442128957.db2.gz SJKWZEFVHNEJOU-OAHLLOKOSA-N 0 0 341.415 1.287 10 0 EDAERN Cc1cc(S(=O)(=O)NCCNC(=O)C[C@@H](O)C(C)C)c(C)s1 ZINC000162917457 442131056 /nfs/dbraw/zinc/13/10/56/442131056.db2.gz VYYCREZYNRPCQL-GFCCVEGCSA-N 0 0 348.490 1.166 10 0 EDAERN COc1ccccc1[C@H](O)CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000175863749 442137492 /nfs/dbraw/zinc/13/74/92/442137492.db2.gz YZHQURPQNXZKRO-UONOGXRCSA-N 0 0 345.403 1.463 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2COc3ccccc32)c(C)o1 ZINC000175903373 442142845 /nfs/dbraw/zinc/14/28/45/442142845.db2.gz WISHAIVFUGUNTN-LBPRGKRZSA-N 0 0 336.369 1.360 10 0 EDAERN COCCOCCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000175916191 442146036 /nfs/dbraw/zinc/14/60/36/442146036.db2.gz LVUKQQVCEFBXOX-AWEZNQCLSA-N 0 0 332.404 1.896 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)N1CC[C@@H](N3CCOCC3)C1)CO2 ZINC000120882597 442146653 /nfs/dbraw/zinc/14/66/53/442146653.db2.gz UIMCMSWJIILVPA-MRXNPFEDSA-N 0 0 344.411 1.404 10 0 EDAERN COc1cc(C)c(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1OC ZINC000120890844 442148101 /nfs/dbraw/zinc/14/81/01/442148101.db2.gz SVNNTSUSJFKDHN-AWEZNQCLSA-N 0 0 334.416 1.559 10 0 EDAERN C[C@H]1CN(C(=O)NCCc2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000175638462 442098266 /nfs/dbraw/zinc/09/82/66/442098266.db2.gz SWFCKARDFLOYPD-YOEHRIQHSA-N 0 0 335.423 1.730 10 0 EDAERN CCOc1cccc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000175660382 442100390 /nfs/dbraw/zinc/10/03/90/442100390.db2.gz ZIYCEDNQUAXCOL-YJBOKZPZSA-N 0 0 347.459 1.947 10 0 EDAERN CCCCNC(=O)C1CCN(C(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000121334960 442204518 /nfs/dbraw/zinc/20/45/18/442204518.db2.gz JHXWQOZVPLFUHA-UKRRQHHQSA-N 0 0 325.453 1.892 10 0 EDAERN Cc1conc1NC(=O)C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000127264314 442187011 /nfs/dbraw/zinc/18/70/11/442187011.db2.gz JWLVGKLAMNLGKM-JTQLQIEISA-N 0 0 333.348 1.792 10 0 EDAERN Cc1cccc2c(O)c(C(=O)N3CC[C@@H](N4CCOCC4)C3)cnc12 ZINC000164148222 442191554 /nfs/dbraw/zinc/19/15/54/442191554.db2.gz IGUNTFDHZAGWNV-CQSZACIVSA-N 0 0 341.411 1.796 10 0 EDAERN CC[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000176213694 442192520 /nfs/dbraw/zinc/19/25/20/442192520.db2.gz YZYNPXNNCYPHHF-TZMCWYRMSA-N 0 0 326.824 1.944 10 0 EDAERN C[C@@H](CNC(=O)N1CCO[C@@](C)(c2ccccc2)C1)N1CCOCC1 ZINC000164356409 442195141 /nfs/dbraw/zinc/19/51/41/442195141.db2.gz NUDQZHHJLAWVNZ-QFBILLFUSA-N 0 0 347.459 1.664 10 0 EDAERN Cc1ccnc(-c2ccc(NC(=O)C(=O)N3CCC[C@H]3CO)cc2)n1 ZINC000120910594 442151347 /nfs/dbraw/zinc/15/13/47/442151347.db2.gz USOCAQDVKAPLAP-HNNXBMFYSA-N 0 0 340.383 1.374 10 0 EDAERN CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000175963998 442154852 /nfs/dbraw/zinc/15/48/52/442154852.db2.gz INIHZALVUPRYIX-GDBMZVCRSA-N 0 0 336.407 1.916 10 0 EDAERN O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@H](Oc2cccnc2)C1 ZINC000097046836 442159024 /nfs/dbraw/zinc/15/90/24/442159024.db2.gz RWNVCBCAMCDYJG-ZDUSSCGKSA-N 0 0 348.380 1.652 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)cn1 ZINC000121009095 442165081 /nfs/dbraw/zinc/16/50/81/442165081.db2.gz BZWBJBOVDIPVSS-AWEZNQCLSA-N 0 0 348.447 1.236 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc2ncccc21 ZINC000176750213 442252833 /nfs/dbraw/zinc/25/28/33/442252833.db2.gz BIPXBYLLAJMUQU-CYBMUJFWSA-N 0 0 329.385 1.640 10 0 EDAERN C[C@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000127513280 442208792 /nfs/dbraw/zinc/20/87/92/442208792.db2.gz MSFAKLOKFVNYOC-DZGCQCFKSA-N 0 0 334.464 1.510 10 0 EDAERN C[C@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000127512849 442208877 /nfs/dbraw/zinc/20/88/77/442208877.db2.gz MSFAKLOKFVNYOC-ZFWWWQNUSA-N 0 0 334.464 1.510 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000176352207 442212844 /nfs/dbraw/zinc/21/28/44/442212844.db2.gz XOCDIRNDWQPWIY-ZDUSSCGKSA-N 0 0 340.449 1.282 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000176397411 442217854 /nfs/dbraw/zinc/21/78/54/442217854.db2.gz WCXUPKVAPAAZAU-CHWSQXEVSA-N 0 0 344.415 1.186 10 0 EDAERN COC(=O)NCCCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176411633 442219522 /nfs/dbraw/zinc/21/95/22/442219522.db2.gz BGOJBVRAAMMERP-CYBMUJFWSA-N 0 0 349.435 1.804 10 0 EDAERN Cc1nc2c(N3CCOCC3)nccn2c1I ZINC000168024629 442222779 /nfs/dbraw/zinc/22/27/79/442222779.db2.gz UKBZNPQJHZXUBP-UHFFFAOYSA-N 0 0 344.156 1.479 10 0 EDAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176468563 442226325 /nfs/dbraw/zinc/22/63/25/442226325.db2.gz CEDBSHVDXYEQDN-GZBFAFLISA-N 0 0 335.452 1.669 10 0 EDAERN Cc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c(O)c1 ZINC000127838272 442228532 /nfs/dbraw/zinc/22/85/32/442228532.db2.gz WLKRLXVIQGKNEG-UHFFFAOYSA-N 0 0 338.371 1.101 10 0 EDAERN COC[C@@H](C)C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176549212 442233331 /nfs/dbraw/zinc/23/33/31/442233331.db2.gz PBDYQCKSJSFZEG-OCCSQVGLSA-N 0 0 326.462 1.829 10 0 EDAERN CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176609301 442239125 /nfs/dbraw/zinc/23/91/25/442239125.db2.gz YPRFYXLCHODZMR-GFCCVEGCSA-N 0 0 329.360 1.683 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3C)C2)c1 ZINC000176662142 442244663 /nfs/dbraw/zinc/24/46/63/442244663.db2.gz XSQBVEPVUQPNRR-ZDUSSCGKSA-N 0 0 330.392 1.036 10 0 EDAERN CC[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128411262 442264501 /nfs/dbraw/zinc/26/45/01/442264501.db2.gz INGBRTFBHBGXSD-UONOGXRCSA-N 0 0 326.466 1.753 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCCOC[C@H]2CCCO2)cn1 ZINC000170886545 442283779 /nfs/dbraw/zinc/28/37/79/442283779.db2.gz HKNGGGJZPPVRJS-CVEARBPZSA-N 0 0 336.436 1.852 10 0 EDAERN C[C@@H]1COC[C@H](C)N1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000177125137 442300611 /nfs/dbraw/zinc/30/06/11/442300611.db2.gz VCEYRUXTEOAPFJ-PHIMTYICSA-N 0 0 332.383 1.946 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000177137010 442303078 /nfs/dbraw/zinc/30/30/78/442303078.db2.gz FLLVZADFAHBDDY-LLVKDONJSA-N 0 0 338.791 1.999 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC000176778580 442256709 /nfs/dbraw/zinc/25/67/09/442256709.db2.gz QKHYHANMDQWABQ-CHWSQXEVSA-N 0 0 327.450 1.290 10 0 EDAERN O=C(Cc1cccc(O)c1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000171241125 442332904 /nfs/dbraw/zinc/33/29/04/442332904.db2.gz NJIUJQTUDJOBGL-HNNXBMFYSA-N 0 0 331.393 1.970 10 0 EDAERN Cc1cc(C)cc(N2CC[C@@H](C(=O)NC[C@H]3CN(C)CCO3)C2=O)c1 ZINC000171286362 442338054 /nfs/dbraw/zinc/33/80/54/442338054.db2.gz LQNZPTMDCDGSCR-IRXDYDNUSA-N 0 0 345.443 1.103 10 0 EDAERN NC(=O)[C@H](SC[C@H](O)CO)c1ccc(Br)cc1F ZINC000177416548 442338907 /nfs/dbraw/zinc/33/89/07/442338907.db2.gz RTGRPYKNPKGXFR-GMSGAONNSA-N 0 0 338.198 1.201 10 0 EDAERN Cc1cc(-c2noc(CN3CCO[C@@H](C[NH+](C)C)C3)n2)ccc1F ZINC000130367061 442345211 /nfs/dbraw/zinc/34/52/11/442345211.db2.gz UFSFSTZMTUXVQW-AWEZNQCLSA-N 0 0 334.395 1.947 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)CCc1nnc[nH]1 ZINC000177181232 442310954 /nfs/dbraw/zinc/31/09/54/442310954.db2.gz XTKFKXVAOMSGIU-GFCCVEGCSA-N 0 0 337.424 1.643 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000177205378 442313607 /nfs/dbraw/zinc/31/36/07/442313607.db2.gz OZXAGIMKJJZCGI-CQSZACIVSA-N 0 0 339.461 1.540 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C)c1)CC2 ZINC000177640797 442365437 /nfs/dbraw/zinc/36/54/37/442365437.db2.gz ISBXVOMDLBWWCQ-GFCCVEGCSA-N 0 0 345.378 1.358 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccnc3)C2)n1 ZINC000177649192 442366748 /nfs/dbraw/zinc/36/67/48/442366748.db2.gz FCBZZVUXBVJOMD-CQSZACIVSA-N 0 0 342.403 1.167 10 0 EDAERN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@H]2CNC(=O)C2)n1 ZINC000177657228 442367873 /nfs/dbraw/zinc/36/78/73/442367873.db2.gz PYBYTHQHXRMFMT-OAHLLOKOSA-N 0 0 338.411 1.758 10 0 EDAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177775610 442382811 /nfs/dbraw/zinc/38/28/11/442382811.db2.gz FRXGOLJGLHLCSN-OAHLLOKOSA-N 0 0 330.363 1.330 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCN3CCOCC3)CC2)cn1 ZINC000154818408 442358575 /nfs/dbraw/zinc/35/85/75/442358575.db2.gz HRCDZFVYSJPMHS-UHFFFAOYSA-N 0 0 335.452 1.124 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C)CCN1C[C@@H](C)O ZINC000177611726 442362993 /nfs/dbraw/zinc/36/29/93/442362993.db2.gz JRGOVPQXGLCPQE-HZPDHXFCSA-N 0 0 347.459 1.546 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCc3nnc4n3CCCCC4)C2)cn1 ZINC000172111899 442409886 /nfs/dbraw/zinc/40/98/86/442409886.db2.gz VZYWZCXEHWYLPN-ZDUSSCGKSA-N 0 0 343.435 1.437 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1c(C)cc(O)cc1=O ZINC000133929474 442441134 /nfs/dbraw/zinc/44/11/34/442441134.db2.gz RAKCSMGPLRIKIA-AWEZNQCLSA-N 0 0 330.388 1.058 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)C(C)C ZINC000178699050 442458330 /nfs/dbraw/zinc/45/83/30/442458330.db2.gz DBMPJMATBLVNAI-GFCCVEGCSA-N 0 0 330.331 1.797 10 0 EDAERN COCCN1CCN(C(=O)NCCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000172337682 442446362 /nfs/dbraw/zinc/44/63/62/442446362.db2.gz SVGWZEJXVVWYJT-OAHLLOKOSA-N 0 0 347.459 1.526 10 0 EDAERN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000178662664 442453635 /nfs/dbraw/zinc/45/36/35/442453635.db2.gz YIHLGJSNLOPYPF-IRXDYDNUSA-N 0 0 335.448 1.391 10 0 EDAERN COc1cccc(Cl)c1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000134169920 442454606 /nfs/dbraw/zinc/45/46/06/442454606.db2.gz VQDGLIDCZCFPNS-CYBMUJFWSA-N 0 0 338.835 1.824 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3nc(C)sc3C)C2=O)n(C)n1 ZINC000178791100 442486875 /nfs/dbraw/zinc/48/68/75/442486875.db2.gz ATWCFPGSNSKRBU-GFCCVEGCSA-N 0 0 347.444 1.727 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CCO2)cn1 ZINC000191719717 442497490 /nfs/dbraw/zinc/49/74/90/442497490.db2.gz YZLIVGZYDJMMPM-ABAIWWIYSA-N 0 0 331.420 1.947 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CCS1 ZINC000178831338 442497622 /nfs/dbraw/zinc/49/76/22/442497622.db2.gz ARGYWTQTTUOARX-LBPRGKRZSA-N 0 0 345.428 1.229 10 0 EDAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000179840272 442510535 /nfs/dbraw/zinc/51/05/35/442510535.db2.gz NCBFTOPIFDUDIA-HZPDHXFCSA-N 0 0 349.818 1.888 10 0 EDAERN CCOC1CCN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000172606200 442501517 /nfs/dbraw/zinc/50/15/17/442501517.db2.gz YWNNAJMBDAPDCN-CYBMUJFWSA-N 0 0 335.452 1.927 10 0 EDAERN Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000179809039 442505749 /nfs/dbraw/zinc/50/57/49/442505749.db2.gz AGYMEVORBQTFGQ-OAHLLOKOSA-N 0 0 344.463 1.288 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000156262551 442460251 /nfs/dbraw/zinc/46/02/51/442460251.db2.gz IEPKOWUZCKNCNQ-ZIAGYGMSSA-N 0 0 341.477 1.855 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)CC1CCCCC1 ZINC000156263111 442460504 /nfs/dbraw/zinc/46/05/04/442460504.db2.gz KAWCHTVBZUFMKC-UHFFFAOYSA-N 0 0 341.477 1.857 10 0 EDAERN COC[C@@H](NC(=O)N1CCCNC(=O)[C@H]1C)c1ccc(F)c(F)c1 ZINC000191546305 442461026 /nfs/dbraw/zinc/46/10/26/442461026.db2.gz FOSRCGOWMODYNN-QMTHXVAHSA-N 0 0 341.358 1.572 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2cccc3ccccc32)C1 ZINC000186311868 442508945 /nfs/dbraw/zinc/50/89/45/442508945.db2.gz POXMYOCFGHHHAE-UHFFFAOYSA-N 0 0 328.368 1.192 10 0 EDAERN COc1ccc(-n2nnc(C(=O)NC[C@H]3CCCC[C@H]3O)c2C)cc1 ZINC000172628750 442508981 /nfs/dbraw/zinc/50/89/81/442508981.db2.gz HWYAWGXWFNWWQJ-CZUORRHYSA-N 0 0 344.415 1.865 10 0 EDAERN CO[C@H](C)CNC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000191654339 442484596 /nfs/dbraw/zinc/48/45/96/442484596.db2.gz OJOCPGIZJIVMJC-LLVKDONJSA-N 0 0 331.347 1.977 10 0 EDAERN Cc1cccc(-n2cc(C(=O)N3CC[C@H](N4CCOCC4)C3)nn2)c1 ZINC000172755901 442534986 /nfs/dbraw/zinc/53/49/86/442534986.db2.gz KFZZQZWVAKJUCJ-INIZCTEOSA-N 0 0 341.415 1.122 10 0 EDAERN CC(C)C(=O)Nc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172760430 442537065 /nfs/dbraw/zinc/53/70/65/442537065.db2.gz XCLDCHMTKZIQRZ-KRWDZBQOSA-N 0 0 345.443 1.828 10 0 EDAERN Cc1nc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000178954860 442537819 /nfs/dbraw/zinc/53/78/19/442537819.db2.gz RHRMTMYJTPRRBQ-QMMMGPOBSA-N 0 0 339.442 1.898 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CNC(=O)CCC(C)C)C12CCOCC2 ZINC000186465019 442540209 /nfs/dbraw/zinc/54/02/09/442540209.db2.gz VKWNHDAYTPGVLR-LSDHHAIUSA-N 0 0 340.464 1.629 10 0 EDAERN Nc1c(Cl)cc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000156999461 442541376 /nfs/dbraw/zinc/54/13/76/442541376.db2.gz LAXVAUPVWHGWKX-MRVPVSSYSA-N 0 0 326.187 1.912 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2nc3cccnc3[nH]2)C1 ZINC000191966460 442548926 /nfs/dbraw/zinc/54/89/26/442548926.db2.gz BVJYFUCRNXMOBU-NSHDSACASA-N 0 0 345.403 1.831 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)CCCCCNC(C)=O)C1 ZINC000157126778 442552850 /nfs/dbraw/zinc/55/28/50/442552850.db2.gz YPWOFARWSTZYKU-HNNXBMFYSA-N 0 0 325.453 1.590 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2ccc(Br)cc2)C1 ZINC000134689853 442511991 /nfs/dbraw/zinc/51/19/91/442511991.db2.gz AVLIJJYVMAIJGY-CYBMUJFWSA-N 0 0 327.222 1.900 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)Nc1nnc(C(C)C)s1 ZINC000186363036 442520500 /nfs/dbraw/zinc/52/05/00/442520500.db2.gz ITVJTJGAPMDBPL-CQSZACIVSA-N 0 0 326.422 1.628 10 0 EDAERN Cc1ccc(C(=O)CCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172742443 442530085 /nfs/dbraw/zinc/53/00/85/442530085.db2.gz ZQTSOOCNAPJGSW-KRWDZBQOSA-N 0 0 330.428 1.891 10 0 EDAERN O=C(CSCC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000172749879 442532494 /nfs/dbraw/zinc/53/24/94/442532494.db2.gz AREOILHKCLZCIB-MRXNPFEDSA-N 0 0 348.468 1.536 10 0 EDAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172749796 442532546 /nfs/dbraw/zinc/53/25/46/442532546.db2.gz KGTCYUKAYDSGRP-ZFWWWQNUSA-N 0 0 329.400 1.046 10 0 EDAERN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180269723 442570354 /nfs/dbraw/zinc/57/03/54/442570354.db2.gz MTBUHQIYYLHJBW-QJXJPNQISA-N 0 0 332.400 1.590 10 0 EDAERN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180276479 442572541 /nfs/dbraw/zinc/57/25/41/442572541.db2.gz NLMBNZXPCQLFIM-CQSZACIVSA-N 0 0 331.397 1.445 10 0 EDAERN O=C(CNC(=O)c1cccs1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135288164 442575912 /nfs/dbraw/zinc/57/59/12/442575912.db2.gz YOAPUSVZCISUCM-LBPRGKRZSA-N 0 0 345.428 1.053 10 0 EDAERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135308156 442577861 /nfs/dbraw/zinc/57/78/61/442577861.db2.gz RDPGYIYXOGAKHA-GHMZBOCLSA-N 0 0 347.444 1.672 10 0 EDAERN Cc1ccn2ncc(C(=O)N[C@@H]3CCCN(c4cccnn4)C3)c2n1 ZINC000135303196 442578228 /nfs/dbraw/zinc/57/82/28/442578228.db2.gz RMYIBALZYUOYPY-CYBMUJFWSA-N 0 0 337.387 1.227 10 0 EDAERN CCC(CC)N1C[C@@H](C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1=O ZINC000135320125 442580340 /nfs/dbraw/zinc/58/03/40/442580340.db2.gz LYOCDAOPBPDJRO-STQMWFEESA-N 0 0 347.463 1.829 10 0 EDAERN C[C@H](NC(=O)CCNC(=O)OC(C)(C)C)c1nnc2n1CCCC2 ZINC000135430037 442595578 /nfs/dbraw/zinc/59/55/78/442595578.db2.gz HAFPJCKLVSAAQT-NSHDSACASA-N 0 0 337.424 1.706 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000179239632 442603388 /nfs/dbraw/zinc/60/33/88/442603388.db2.gz ITRZUYMFKKMEHU-HNNXBMFYSA-N 0 0 327.388 1.292 10 0 EDAERN COc1ccc(CN(C)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1O ZINC000135526887 442607233 /nfs/dbraw/zinc/60/72/33/442607233.db2.gz ZUONDQNPQNAUPL-LLVKDONJSA-N 0 0 332.356 1.771 10 0 EDAERN CN(C)C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC000157719825 442607574 /nfs/dbraw/zinc/60/75/74/442607574.db2.gz ZXLBJKGQIMNBLJ-AWEZNQCLSA-N 0 0 326.462 1.619 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C)CCO2)[nH]1 ZINC000180225667 442562135 /nfs/dbraw/zinc/56/21/35/442562135.db2.gz MOMJMAYLNAGHNF-ZDUSSCGKSA-N 0 0 347.350 1.099 10 0 EDAERN C[C@H]1C(=O)N(C)CCN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000186988835 442641211 /nfs/dbraw/zinc/64/12/11/442641211.db2.gz DZFSVJHYRMBMIQ-WFASDCNBSA-N 0 0 326.824 1.380 10 0 EDAERN CC1=C(C(=O)N[C@H]2COc3ccccc32)[C@H](C)n2ncnc2N1C ZINC000192196061 442611466 /nfs/dbraw/zinc/61/14/66/442611466.db2.gz NWZOPCHXVUYTGQ-AAEUAGOBSA-N 0 0 325.372 1.813 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000173174502 442616281 /nfs/dbraw/zinc/61/62/81/442616281.db2.gz IROPPSHFZQXMSG-GFCCVEGCSA-N 0 0 330.363 1.822 10 0 EDAERN Cn1ccnc1COC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000187620717 442682812 /nfs/dbraw/zinc/68/28/12/442682812.db2.gz NLTLPQAPDZMINA-WDEREUQCSA-N 0 0 327.356 1.811 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000181241642 442685691 /nfs/dbraw/zinc/68/56/91/442685691.db2.gz BLQNXIHHIMWRCD-HNNXBMFYSA-N 0 0 337.468 1.850 10 0 EDAERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000181394114 442694591 /nfs/dbraw/zinc/69/45/91/442694591.db2.gz LSEHJYYVAIWSMV-IUODEOHRSA-N 0 0 329.400 1.820 10 0 EDAERN COc1ccc(F)cc1CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000187893331 442697035 /nfs/dbraw/zinc/69/70/35/442697035.db2.gz NQLZJRYACQAUGS-CQSZACIVSA-N 0 0 333.367 1.973 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CC3(CCCC3)OC(C)(C)C2)C1 ZINC000187987954 442702232 /nfs/dbraw/zinc/70/22/32/442702232.db2.gz NMDNSKROVXSGTH-AWEZNQCLSA-N 0 0 325.453 1.450 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000193008630 442704929 /nfs/dbraw/zinc/70/49/29/442704929.db2.gz YSHMKCBMCDHLBS-BXUZGUMPSA-N 0 0 336.819 1.946 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187188125 442659274 /nfs/dbraw/zinc/65/92/74/442659274.db2.gz VIJDBBXGBIAJJH-MCIONIFRSA-N 0 0 347.444 1.072 10 0 EDAERN O=C(CC(=O)N1CC[C@H](Oc2cccnc2)C1)NCC(F)(F)F ZINC000182116695 442736992 /nfs/dbraw/zinc/73/69/92/442736992.db2.gz NMEAUXTXRQDMMS-NSHDSACASA-N 0 0 331.294 1.130 10 0 EDAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1cc[nH]n1 ZINC000193406933 442739850 /nfs/dbraw/zinc/73/98/50/442739850.db2.gz RLKBQYHJDCCNLR-CQSZACIVSA-N 0 0 336.342 1.759 10 0 EDAERN COCCN1CCN(C(=O)c2c(F)ccc(OC)c2OC)C[C@@H]1C ZINC000188470406 442753671 /nfs/dbraw/zinc/75/36/71/442753671.db2.gz QXDBGDIKEZZGIX-LBPRGKRZSA-N 0 0 340.395 1.636 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)C1CCC(CO)CC1)CC2 ZINC000181760514 442714937 /nfs/dbraw/zinc/71/49/37/442714937.db2.gz KQRDJEYSRBDUAS-SHARSMKWSA-N 0 0 349.479 1.909 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000193803041 442788796 /nfs/dbraw/zinc/78/87/96/442788796.db2.gz GKBOFNHJTNUKEO-CABCVRRESA-N 0 0 340.445 1.210 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1N1CCOCC1 ZINC000246619091 442797682 /nfs/dbraw/zinc/79/76/82/442797682.db2.gz XQRKEHSLDAELJI-IAQYHMDHSA-N 0 0 346.399 1.306 10 0 EDAERN COCCC[C@H](C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000182721733 442814238 /nfs/dbraw/zinc/81/42/38/442814238.db2.gz OXRJPZHUUIGEPH-FUHWJXTLSA-N 0 0 334.460 1.927 10 0 EDAERN CCC1CCC(NS(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000193964638 442820650 /nfs/dbraw/zinc/82/06/50/442820650.db2.gz VYCJAYTZBRZTDU-UHFFFAOYSA-N 0 0 332.466 1.675 10 0 EDAERN Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000193995057 442825368 /nfs/dbraw/zinc/82/53/68/442825368.db2.gz GKMAXTDVHKUKHG-RYUDHWBXSA-N 0 0 326.418 1.389 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3nc4cccnc4s3)CCO2)[nH]1 ZINC000193990911 442825705 /nfs/dbraw/zinc/82/57/05/442825705.db2.gz IPVKRHSKASBOPP-JTQLQIEISA-N 0 0 344.400 1.586 10 0 EDAERN Cc1ncsc1/C=C/C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000188892195 442835816 /nfs/dbraw/zinc/83/58/16/442835816.db2.gz UZOVZUWSQKIZAJ-SNAWJCMRSA-N 0 0 345.472 1.933 10 0 EDAERN Cc1cnc([C@H](C)CNC(=O)N2CC(NC(=O)C3CCC3)C2)s1 ZINC000188922749 442843070 /nfs/dbraw/zinc/84/30/70/442843070.db2.gz PHRYBRLCXSADHD-SNVBAGLBSA-N 0 0 336.461 1.865 10 0 EDAERN COc1ccc(Cn2cc(C(=O)N3CCCNC(=O)[C@H]3C)cn2)cc1 ZINC000188935478 442845039 /nfs/dbraw/zinc/84/50/39/442845039.db2.gz QJUBCGMHAJTPTM-CYBMUJFWSA-N 0 0 342.399 1.291 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000188944219 442847132 /nfs/dbraw/zinc/84/71/32/442847132.db2.gz OASUBWAQIWLAPZ-LLVKDONJSA-N 0 0 349.818 1.817 10 0 EDAERN CC(C)(C)Oc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000183023683 442865918 /nfs/dbraw/zinc/86/59/18/442865918.db2.gz ICCAYCZAEZEBLK-CYBMUJFWSA-N 0 0 344.419 1.665 10 0 EDAERN COc1cccc2c1CCN(C(=O)[C@@H](C)NC(=O)c1ccco1)C2 ZINC000183088528 442877198 /nfs/dbraw/zinc/87/71/98/442877198.db2.gz XHZQESVRQDHUNU-GFCCVEGCSA-N 0 0 328.368 1.991 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N(CCO)CC(F)F)C(C)C ZINC000194363684 442883103 /nfs/dbraw/zinc/88/31/03/442883103.db2.gz LQUYKYQXLYKNNO-HNNXBMFYSA-N 0 0 342.386 1.835 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000189211644 442898325 /nfs/dbraw/zinc/89/83/25/442898325.db2.gz ALMIYMMPEWZAEP-IUODEOHRSA-N 0 0 336.363 1.677 10 0 EDAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC2C3CC4CC(C3)CC2C4)O1 ZINC000183214012 442904248 /nfs/dbraw/zinc/90/42/48/442904248.db2.gz KOKMAYWSEOHWRO-VDJFIIDHSA-N 0 0 349.475 1.746 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1[nH]nnc1-c1ccccc1 ZINC000189254893 442906047 /nfs/dbraw/zinc/90/60/47/442906047.db2.gz OMTIDOIHDOQANZ-LBPRGKRZSA-N 0 0 337.387 1.891 10 0 EDAERN COCc1cccc(CC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000189421073 442948866 /nfs/dbraw/zinc/94/88/66/442948866.db2.gz LJHPMJZGYTZTME-QGZVFWFLSA-N 0 0 329.400 1.500 10 0 EDAERN CCCCCc1nnc(NC(=O)CN2CCCNC(=O)[C@H]2C)s1 ZINC000189334632 442923173 /nfs/dbraw/zinc/92/31/73/442923173.db2.gz KUWBFTAVKNCVCV-LLVKDONJSA-N 0 0 339.465 1.420 10 0 EDAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000248823559 442927065 /nfs/dbraw/zinc/92/70/65/442927065.db2.gz FORUHLLXFHOAFR-NXEZZACHSA-N 0 0 346.836 1.734 10 0 EDAERN CCCN(CC)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000189369571 442931734 /nfs/dbraw/zinc/93/17/34/442931734.db2.gz ZLRQHNMQQMRFBZ-UHFFFAOYSA-N 0 0 330.432 1.669 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000194684797 442937146 /nfs/dbraw/zinc/93/71/46/442937146.db2.gz IFWKNIDAHWZPNM-MRXNPFEDSA-N 0 0 331.351 1.713 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H]1CCc2cccnc21 ZINC000189396364 442939825 /nfs/dbraw/zinc/93/98/25/442939825.db2.gz WHLQONFOOKQPDV-ZIAGYGMSSA-N 0 0 338.429 1.816 10 0 EDAERN COc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)ccc1OC(F)F ZINC000189418741 442947781 /nfs/dbraw/zinc/94/77/81/442947781.db2.gz JJBCZMAQBJBAFC-UHFFFAOYSA-N 0 0 340.326 1.647 10 0 EDAERN O=C(NCCc1ccc(F)c(Br)c1)[C@H]1CNC(=O)C1 ZINC000194817281 442958459 /nfs/dbraw/zinc/95/84/59/442958459.db2.gz KOZOEYRSKUZKFP-SECBINFHSA-N 0 0 329.169 1.383 10 0 EDAERN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[C@H]1CNC(=O)C1 ZINC000194823396 442959450 /nfs/dbraw/zinc/95/94/50/442959450.db2.gz VVSYJRQGMXEZQO-ZYHUDNBSSA-N 0 0 338.791 1.972 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(C[C@H](O)CC)CC2)cc1 ZINC000189463768 442960321 /nfs/dbraw/zinc/96/03/21/442960321.db2.gz CIEUKVDYBLHCDR-MRXNPFEDSA-N 0 0 333.432 1.103 10 0 EDAERN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NCC(=O)NCC1CC1 ZINC000183796421 442964464 /nfs/dbraw/zinc/96/44/64/442964464.db2.gz AGWKILUBBUAUJQ-MRXNPFEDSA-N 0 0 344.459 1.953 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCCN1CCOC(C)(C)C1)C(C)C ZINC000194918944 442968748 /nfs/dbraw/zinc/96/87/48/442968748.db2.gz LXNMECUFJIZOIW-MRXNPFEDSA-N 0 0 341.496 1.400 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000249461654 442976224 /nfs/dbraw/zinc/97/62/24/442976224.db2.gz PCMHULJZJMATMK-SNPRPXQTSA-N 0 0 344.502 1.733 10 0 EDAERN Cc1cc(NC(=O)N[C@H](C(N)=O)C(C)C)nn1-c1cccc(F)c1 ZINC000184038476 442986044 /nfs/dbraw/zinc/98/60/44/442986044.db2.gz XEZVVEGRSZFKKZ-AWEZNQCLSA-N 0 0 333.367 1.951 10 0 EDAERN Cn1cc([C@H]2CCN(S(=O)(=O)CCc3cccs3)C2)cn1 ZINC000189626253 442986619 /nfs/dbraw/zinc/98/66/19/442986619.db2.gz WKOAZNOBZHWMQA-LBPRGKRZSA-N 0 0 325.459 1.843 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2cccc(COC)c2)C[C@H]1C ZINC000189659082 442990380 /nfs/dbraw/zinc/99/03/80/442990380.db2.gz JARDBFQERVDTFZ-MRXNPFEDSA-N 0 0 334.460 1.945 10 0 EDAERN O=C(NCC(F)(F)F)c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194791775 442953540 /nfs/dbraw/zinc/95/35/40/442953540.db2.gz AYCABUBRWNPQNO-SECBINFHSA-N 0 0 329.278 1.053 10 0 EDAERN C[C@@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000195433651 443018408 /nfs/dbraw/zinc/01/84/08/443018408.db2.gz YJVYNKHGIADHOM-LLVKDONJSA-N 0 0 345.490 1.780 10 0 EDAERN COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189915186 443028299 /nfs/dbraw/zinc/02/82/99/443028299.db2.gz GCLQJKPBNSGLEE-STQMWFEESA-N 0 0 330.388 1.201 10 0 EDAERN O=C(Nc1ncn(C2CCCCC2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000184505877 443031167 /nfs/dbraw/zinc/03/11/67/443031167.db2.gz ZOZRVRSMEXFZFR-HNNXBMFYSA-N 0 0 348.451 1.722 10 0 EDAERN Cc1c(-c2cc(CN3CCO[C@H](Cn4cccn4)C3)on2)cnn1C ZINC000184527580 443035034 /nfs/dbraw/zinc/03/50/34/443035034.db2.gz RVYXZECVMCGZEY-HNNXBMFYSA-N 0 0 342.403 1.481 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC000189955010 443037119 /nfs/dbraw/zinc/03/71/19/443037119.db2.gz UPXWYHILAWFCGH-UHFFFAOYSA-N 0 0 345.378 1.350 10 0 EDAERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)NCC(=O)NCC1CC1 ZINC000184574793 443041735 /nfs/dbraw/zinc/04/17/35/443041735.db2.gz WPWZATVATZGGRH-INIZCTEOSA-N 0 0 344.459 1.823 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000184228332 443003792 /nfs/dbraw/zinc/00/37/92/443003792.db2.gz LZLXFVVSLNUPAZ-INIZCTEOSA-N 0 0 334.416 1.590 10 0 EDAERN COC(=O)C[C@H](NS(=O)(=O)N1CCC[C@H]1C)c1ccccc1 ZINC000184867753 443088615 /nfs/dbraw/zinc/08/86/15/443088615.db2.gz VIMBWBHOONPREM-OCCSQVGLSA-N 0 0 326.418 1.610 10 0 EDAERN CCOC(=O)[C@H](N)C(=O)N[C@H](C)c1ccccc1Br ZINC000223935551 443096282 /nfs/dbraw/zinc/09/62/82/443096282.db2.gz HYRAKABVKHTOLS-LDYMZIIASA-N 0 0 329.194 1.517 10 0 EDAERN CCOC(=O)[C@H](N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000223931261 443096358 /nfs/dbraw/zinc/09/63/58/443096358.db2.gz WORQPVUSIBPOEE-LDYMZIIASA-N 0 0 329.194 1.517 10 0 EDAERN CNC(=O)[C@@H]1CN(Cc2cc(Br)ccc2F)C[C@H]1CO ZINC000253413590 443060284 /nfs/dbraw/zinc/06/02/84/443060284.db2.gz VEFJVVWEFIPCNF-CMPLNLGQSA-N 0 0 345.212 1.375 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCCCn2ccnc2)C12CCOCC2 ZINC000184708553 443063821 /nfs/dbraw/zinc/06/38/21/443063821.db2.gz RZTJBBFJXNFUSV-LSDHHAIUSA-N 0 0 336.436 1.547 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2c(C)cccc2F)CCN1CCOC ZINC000184749906 443071416 /nfs/dbraw/zinc/07/14/16/443071416.db2.gz MHKSIDXXYINLFX-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN Cc1ccc(NC(=O)c2nnc(CN3C[C@@H](O)C[C@@H]3CO)s2)cc1 ZINC000185140905 443146190 /nfs/dbraw/zinc/14/61/90/443146190.db2.gz XDFDEVIKCUSPHN-OLZOCXBDSA-N 0 0 348.428 1.026 10 0 EDAERN CCN(c1ccc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1)C(C)C ZINC000185141253 443146777 /nfs/dbraw/zinc/14/67/77/443146777.db2.gz ZNFFCWNEAHLHON-IAGOWNOFSA-N 0 0 335.448 1.287 10 0 EDAERN COc1ccccc1C1(CNC(=O)NC[C@@H]2CN(C)CCO2)CCC1 ZINC000184983901 443111702 /nfs/dbraw/zinc/11/17/02/443111702.db2.gz ANCAQUUBDKIXRU-OAHLLOKOSA-N 0 0 347.459 1.747 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)C1 ZINC000190462026 443113170 /nfs/dbraw/zinc/11/31/70/443113170.db2.gz NPGWZNURTMJHCU-UHFFFAOYSA-N 0 0 326.400 1.509 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2COc3ccc(Br)cc32)C1 ZINC000190514436 443124339 /nfs/dbraw/zinc/12/43/39/443124339.db2.gz QPBYOKAMMXCEGY-LBPRGKRZSA-N 0 0 339.189 1.272 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000185238194 443167779 /nfs/dbraw/zinc/16/77/79/443167779.db2.gz ZPRISLUNTOZPQX-UHFFFAOYSA-N 0 0 332.331 1.673 10 0 EDAERN CCc1ccc(C(=O)CCC(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000185262666 443172341 /nfs/dbraw/zinc/17/23/41/443172341.db2.gz WOLQRRVWYUJMMP-UHFFFAOYSA-N 0 0 332.400 1.185 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000185298004 443178820 /nfs/dbraw/zinc/17/88/20/443178820.db2.gz QHHLJBPEGAIYKM-UHFFFAOYSA-N 0 0 334.269 1.432 10 0 EDAERN COC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000190795543 443185442 /nfs/dbraw/zinc/18/54/42/443185442.db2.gz NFROGLITDUQOGZ-HZPDHXFCSA-N 0 0 343.431 1.492 10 0 EDAERN COC1(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)CCCCC1 ZINC000185391961 443193660 /nfs/dbraw/zinc/19/36/60/443193660.db2.gz GPSGOSKDUJJQLO-UHFFFAOYSA-N 0 0 334.464 1.804 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CCc1ccccc1C(=O)OC ZINC000185182997 443156484 /nfs/dbraw/zinc/15/64/84/443156484.db2.gz HTOMKMBQGRNRHA-UHFFFAOYSA-N 0 0 336.413 1.847 10 0 EDAERN COc1cc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1F ZINC000190667426 443160537 /nfs/dbraw/zinc/16/05/37/443160537.db2.gz PJNBGEAGUVDYAM-LLVKDONJSA-N 0 0 339.392 1.746 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000185213197 443162027 /nfs/dbraw/zinc/16/20/27/443162027.db2.gz UTLOUFDGPLSFFD-UHFFFAOYSA-N 0 0 330.306 1.221 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCCCn2cccn2)C12CCOCC2 ZINC000185565288 443219565 /nfs/dbraw/zinc/21/95/65/443219565.db2.gz LLICNVBUYINJLH-LSDHHAIUSA-N 0 0 336.436 1.547 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(C(N)=O)s1 ZINC000245387124 443221605 /nfs/dbraw/zinc/22/16/05/443221605.db2.gz UMFCRLBQBBNZON-MXWKQRLJSA-N 0 0 336.413 1.793 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[C@H]1CCCO1 ZINC000185612637 443226666 /nfs/dbraw/zinc/22/66/66/443226666.db2.gz FCJTWMZGXJEQCT-WCQYABFASA-N 0 0 335.408 1.406 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000190970878 443217633 /nfs/dbraw/zinc/21/76/33/443217633.db2.gz KCPXGOUYIJPZKI-ZBFHGGJFSA-N 0 0 344.415 1.482 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000185785898 443257017 /nfs/dbraw/zinc/25/70/17/443257017.db2.gz GTVUNUVZKXRIJH-YVEFUNNKSA-N 0 0 331.416 1.385 10 0 EDAERN C[C@@H]1CN(C(=O)CCc2cccc3c2OCO3)C[C@@H]1N1CCOCC1 ZINC000185936111 443287711 /nfs/dbraw/zinc/28/77/11/443287711.db2.gz KTOMEWZPBADXIB-ZBFHGGJFSA-N 0 0 346.427 1.527 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cccc(C)c2Cl)C[C@@H]1C ZINC000246015561 443262143 /nfs/dbraw/zinc/26/21/43/443262143.db2.gz ZFOSTVRPNLMPBX-ZDUSSCGKSA-N 0 0 346.880 1.990 10 0 EDAERN COC[C@@H](C)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000185825837 443264907 /nfs/dbraw/zinc/26/49/07/443264907.db2.gz DQBHJHZVHRYJFD-LLVKDONJSA-N 0 0 344.408 1.264 10 0 EDAERN Cc1nnc(CN(C)[C@@H]2CN(Cc3cnc(C4CC4)s3)C[C@H]2O)o1 ZINC000328632518 444404109 /nfs/dbraw/zinc/40/41/09/444404109.db2.gz LJMWZCYKTXCZSH-ZIAGYGMSSA-N 0 0 349.460 1.389 10 0 EDAERN Cc1nnc2n1CCN(C1CN(C(=O)CCc3ccccc3)C1)C2 ZINC000328642548 444409949 /nfs/dbraw/zinc/40/99/49/444409949.db2.gz RCMXEDGBXPMDCO-UHFFFAOYSA-N 0 0 325.416 1.246 10 0 EDAERN CN(C)c1ccc(N[C@H]2CCCN(C(=O)Cc3cc[nH]n3)CC2)cn1 ZINC000328642927 444411131 /nfs/dbraw/zinc/41/11/31/444411131.db2.gz RFBMUKZDDIZKQM-AWEZNQCLSA-N 0 0 342.447 1.906 10 0 EDAERN Cc1nnc([C@@H]2COCCN2C(=O)c2cn3c(cccc3C)n2)o1 ZINC000328608976 444392751 /nfs/dbraw/zinc/39/27/51/444392751.db2.gz BUMDZBNYPVLMAV-ZDUSSCGKSA-N 0 0 327.344 1.548 10 0 EDAERN Cc1nnc2n1CCN(C1CN(C(=O)[C@H](C)c3cccs3)C1)C2 ZINC000328622053 444397471 /nfs/dbraw/zinc/39/74/71/444397471.db2.gz AXRLNJNKMUVFKT-LLVKDONJSA-N 0 0 331.445 1.478 10 0 EDAERN Cn1ccnc1[C@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1C ZINC000372540190 447122868 /nfs/dbraw/zinc/12/28/68/447122868.db2.gz OXNKDJIKYQRFRG-MRXNPFEDSA-N 0 0 336.399 1.492 10 0 EDAERN COC(=O)Cc1cc([N+](=O)[O-])c(I)cc1N ZINC000575640367 447878594 /nfs/dbraw/zinc/87/85/94/447878594.db2.gz MNKNZXKWTACGEA-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN COc1cc(Br)c(OC(F)F)c(S(N)(=O)=O)c1 ZINC000575682820 447880028 /nfs/dbraw/zinc/88/00/28/447880028.db2.gz CFXZXTVZPSGQEH-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN CC(C)(C)OC(=O)c1cn(C[C@H](O)COCc2ccccc2)nn1 ZINC000498051154 448075480 /nfs/dbraw/zinc/07/54/80/448075480.db2.gz YUYNKVYTMHOXPV-AWEZNQCLSA-N 0 0 333.388 1.811 10 0 EDAERN Cn1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)cn1 ZINC000583616746 448443862 /nfs/dbraw/zinc/44/38/62/448443862.db2.gz MGPWJRBRZKJHAN-RRFJBIMHSA-N 0 0 327.450 1.514 10 0 EDAERN O[C@@]1(c2cn[nH]n2)CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000583617558 448444467 /nfs/dbraw/zinc/44/44/67/448444467.db2.gz USTDSSWAWQGLNN-HNNXBMFYSA-N 0 0 332.795 1.589 10 0 EDAERN O=C(N1CCC[C@@](O)(c2cn[nH]n2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000583618971 448448149 /nfs/dbraw/zinc/44/81/49/448448149.db2.gz NTSGMFPBNPIHMC-KRWDZBQOSA-N 0 0 346.818 2.000 10 0 EDAERN O=C(COc1ccc2c(c1)CCC2)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583620394 448450594 /nfs/dbraw/zinc/45/05/94/448450594.db2.gz FIPLIDGAIPSLEI-GUDVDZBRSA-N 0 0 345.439 1.943 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c(C)n1-c1cnccn1 ZINC000529266827 448802559 /nfs/dbraw/zinc/80/25/59/448802559.db2.gz CWPLTUAWDKCGAJ-BXUZGUMPSA-N 0 0 327.388 1.281 10 0 EDAERN C[C@@H](NC(=O)N1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000611653369 449372821 /nfs/dbraw/zinc/37/28/21/449372821.db2.gz YABQXVGIHWGBNW-NWDGAFQWSA-N 0 0 325.434 1.979 10 0 EDAERN NC(=O)c1cccc([C@H]2CCN(S(N)(=O)=O)c3ccccc32)c1 ZINC000616588519 450453605 /nfs/dbraw/zinc/45/36/05/450453605.db2.gz LHZNPINOLUHGOC-CYBMUJFWSA-N 0 0 331.397 1.331 10 0 EDAERN Cn1cc(O[C@@H]2CN(Cc3ncc(Cl)cc3Cl)C[C@H]2O)cn1 ZINC000625627798 450457602 /nfs/dbraw/zinc/45/76/02/450457602.db2.gz RDXQYNCCGYNKQO-ZIAGYGMSSA-N 0 0 343.214 1.746 10 0 EDAERN Nc1ncccc1[C@@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616664076 450458911 /nfs/dbraw/zinc/45/89/11/450458911.db2.gz SOWIRQSVLSEYQS-ZDUSSCGKSA-N 0 0 333.413 1.469 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2ccc(CCO)cc2)Nc2ccccc21 ZINC000616692208 450461122 /nfs/dbraw/zinc/46/11/22/450461122.db2.gz TVVSAJHEMBMPSR-OAHLLOKOSA-N 0 0 333.413 1.398 10 0 EDAERN COc1ccc(F)c(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1OC ZINC000616775563 450482311 /nfs/dbraw/zinc/48/23/11/450482311.db2.gz RJORFKXJZLCZBH-SUNKGSAMSA-N 0 0 335.335 1.144 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)cc1F ZINC000624393944 450828393 /nfs/dbraw/zinc/82/83/93/450828393.db2.gz PMABAHXKKBGZCU-RKDXNWHRSA-N 0 0 339.186 1.207 10 0 EDAERN C[C@@H]1C[C@H](O)CCN1CC(=O)Nc1ccc(Br)cn1 ZINC000639939112 452253484 /nfs/dbraw/zinc/25/34/84/452253484.db2.gz DBEUVRBNTMNZJP-MWLCHTKSSA-N 0 0 328.210 1.628 10 0 EDAERN NC(=O)c1cn([C@@H]2CCN(c3ncc(Cl)cc3Cl)C2)nn1 ZINC000643758774 452592845 /nfs/dbraw/zinc/59/28/45/452592845.db2.gz GIYRJDIRZOVDMH-MRVPVSSYSA-N 0 0 327.175 1.530 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Br)cc1C ZINC000664267599 452949704 /nfs/dbraw/zinc/94/97/04/452949704.db2.gz DBOGNODTOYYPMQ-VHSXEESVSA-N 0 0 335.223 1.376 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000644286151 453245393 /nfs/dbraw/zinc/24/53/93/453245393.db2.gz QUMPQFZMUQYSMP-KRWDZBQOSA-N 0 0 346.402 1.815 10 0 EDAERN C[C@@H](C(=O)N1CC[C@H](O)C12CCCC2)N1C(=O)c2ccccc2C1=O ZINC000661358480 453798952 /nfs/dbraw/zinc/79/89/52/453798952.db2.gz KZOYICKTRDMQGG-WFASDCNBSA-N 0 0 342.395 1.577 10 0 EDAERN COCCN(CC(C)C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000248244988 485513921 /nfs/dbraw/zinc/51/39/21/485513921.db2.gz PXYUFHRIQVDEJG-ZDUSSCGKSA-N 0 0 332.400 1.802 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)N(C)Cc2ccon2)[C@H]1c1cnn(C)c1C ZINC000669049432 485594731 /nfs/dbraw/zinc/59/47/31/485594731.db2.gz UVCMGRMOFCLRDD-BBRMVZONSA-N 0 0 345.403 1.285 10 0 EDAERN O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671498764 486627073 /nfs/dbraw/zinc/62/70/73/486627073.db2.gz ZZWVRUIBIGTXTN-IBGZPJMESA-N 0 0 340.427 1.363 10 0 EDAERN Cc1nc2c([nH]1)C[C@H](C(=O)NCc1nnnn1-c1ccccc1)CC2 ZINC000220627650 490998079 /nfs/dbraw/zinc/99/80/79/490998079.db2.gz HPKQIJIWEGYPSX-GFCCVEGCSA-N 0 0 337.387 1.115 10 0 EDAERN C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000164259935 533807573 /nfs/dbraw/zinc/80/75/73/533807573.db2.gz QPUISBSMQKLOQF-VHSXEESVSA-N 0 0 335.422 1.648 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000153510704 533827687 /nfs/dbraw/zinc/82/76/87/533827687.db2.gz KFLWZBHQIBEOKT-LLVKDONJSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H]1N1CCOCC1 ZINC000173875451 533880103 /nfs/dbraw/zinc/88/01/03/533880103.db2.gz WXZCFGIPCKCIAP-GUYCJALGSA-N 0 0 343.427 1.364 10 0 EDAERN COc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000155237732 533912534 /nfs/dbraw/zinc/91/25/34/533912534.db2.gz IVVYVZKSRZCISB-HNNXBMFYSA-N 0 0 346.362 1.870 10 0 EDAERN C[C@@H](CNC(=O)NCc1ccc(C(C)(C)O)cc1)N1CCOCC1 ZINC000187332861 533968562 /nfs/dbraw/zinc/96/85/62/533968562.db2.gz LSTNODYFAQAGHO-AWEZNQCLSA-N 0 0 335.448 1.434 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)[C@H](N4CCOCC4)C3)[nH]n2)o1 ZINC000173830597 534172161 /nfs/dbraw/zinc/17/21/61/534172161.db2.gz OXQOJOPZTGWUBR-MLGOLLRUSA-N 0 0 344.415 1.771 10 0 EDAERN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000168681515 534220156 /nfs/dbraw/zinc/22/01/56/534220156.db2.gz UXFJEKBCJHOKDI-QQOXFEPMSA-N 0 0 345.273 1.621 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000155754150 534283334 /nfs/dbraw/zinc/28/33/34/534283334.db2.gz VTQWZGVMZOSWKI-LBPRGKRZSA-N 0 0 342.754 1.972 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000173962873 534308279 /nfs/dbraw/zinc/30/82/79/534308279.db2.gz ZUAUFLKIKDOWBI-DYVFJYSZSA-N 0 0 328.416 1.285 10 0 EDAERN Cc1ccc([S@@](=O)C[C@@H]2CCCN(S(C)(=O)=O)C2)c(N)c1 ZINC000165304655 534348990 /nfs/dbraw/zinc/34/89/90/534348990.db2.gz CJLQLXKGYCEYQN-MPBGBICISA-N 0 0 330.475 1.356 10 0 EDAERN O=C(CCCNC(=O)c1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000177586734 534353153 /nfs/dbraw/zinc/35/31/53/534353153.db2.gz PUWHYJVWFHGXLY-AWEZNQCLSA-N 0 0 327.388 1.439 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)C[C@@H]1N1CCOCC1 ZINC000173860578 534398150 /nfs/dbraw/zinc/39/81/50/534398150.db2.gz MSIILJFSGDLLIE-DOMZBBRYSA-N 0 0 346.456 1.931 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)no1 ZINC000171485966 534407362 /nfs/dbraw/zinc/40/73/62/534407362.db2.gz GZAKYIAUZSTJDI-AWEZNQCLSA-N 0 0 342.399 1.589 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)CCC(=O)N1CCOCC1)[C@H](C)C2 ZINC000181249040 534440898 /nfs/dbraw/zinc/44/08/98/534440898.db2.gz LOIGINNLMLQQLN-AUUYWEPGSA-N 0 0 330.428 1.984 10 0 EDAERN NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccc(Br)c1Cl ZINC000136104202 534464664 /nfs/dbraw/zinc/46/46/64/534464664.db2.gz VBAOGHJFQFUKCP-HZGVNTEJSA-N 0 0 347.596 1.163 10 0 EDAERN Fc1ccc(F)c(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000171558483 534477924 /nfs/dbraw/zinc/47/79/24/534477924.db2.gz WQKMAXMWYSSLMQ-UHFFFAOYSA-N 0 0 330.342 1.725 10 0 EDAERN O=C(CN1CCC[C@H](n2cncn2)C1)NCc1cccc(Cl)c1 ZINC000171615832 534533078 /nfs/dbraw/zinc/53/30/78/534533078.db2.gz HOVKJMKNFVUZLN-HNNXBMFYSA-N 0 0 333.823 1.885 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000077724960 534652663 /nfs/dbraw/zinc/65/26/63/534652663.db2.gz DJYFMWUDDGDROY-LBPRGKRZSA-N 0 0 328.372 1.234 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 ZINC000079299623 534655524 /nfs/dbraw/zinc/65/55/24/534655524.db2.gz HOOGFTPKQUIUMO-ZDUSSCGKSA-N 0 0 348.428 1.858 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)c3ccc(NC=O)cc3)CC2)s1 ZINC000174774089 534736804 /nfs/dbraw/zinc/73/68/04/534736804.db2.gz KTIAVCVBNQYPHE-UHFFFAOYSA-N 0 0 344.440 1.978 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)N2CCc3c2cccc3Cl)c1 ZINC000129871060 534742269 /nfs/dbraw/zinc/74/22/69/534742269.db2.gz RFLNRTSDGTXRGS-UHFFFAOYSA-N 0 0 332.791 1.550 10 0 EDAERN Nc1cnc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(Br)c1 ZINC000160079722 534745296 /nfs/dbraw/zinc/74/52/96/534745296.db2.gz WQYJRKNXVUZBDP-KCJUWKMLSA-N 0 0 325.210 1.531 10 0 EDAERN O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@H](Cn2cncn2)C1 ZINC000180980308 534873400 /nfs/dbraw/zinc/87/34/00/534873400.db2.gz WUBIPRLFQJNDJF-CYBMUJFWSA-N 0 0 348.428 1.314 10 0 EDAERN O=c1[n-]cnc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1I ZINC000164250312 534889881 /nfs/dbraw/zinc/88/98/81/534889881.db2.gz FPCMJXQMQDFMOO-DHBOJHSNSA-N 0 0 346.172 1.069 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187580474 526839449 /nfs/dbraw/zinc/83/94/49/526839449.db2.gz MMHBQZHWNDVKKN-JYJNAYRXSA-N 0 0 338.473 1.833 10 0 EDAERN CC(C)(NS(=O)(=O)c1ccc(Cl)c(N)c1Cl)C(N)=O ZINC000165916033 527297535 /nfs/dbraw/zinc/29/75/35/527297535.db2.gz FBVAGDVTSXYKPE-UHFFFAOYSA-N 0 0 326.205 1.118 10 0 EDAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CCN3CCCC[C@@H]3C2)nn1 ZINC000174343972 527565267 /nfs/dbraw/zinc/56/52/67/527565267.db2.gz RNNGZLHLJBSHHA-CYBMUJFWSA-N 0 0 333.436 1.204 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000155239711 527711318 /nfs/dbraw/zinc/71/13/18/527711318.db2.gz RWDAFKIEOAFZRD-KSSFIOAISA-N 0 0 348.447 1.775 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cnn3ccc(C)nc23)C12CCOCC2 ZINC000187091175 527828894 /nfs/dbraw/zinc/82/88/94/527828894.db2.gz FEZNYODTDHZRQH-HUUCEWRRSA-N 0 0 344.415 1.742 10 0 EDAERN CC(C)OCCNS(=O)(=O)c1ccc(Br)cc1N ZINC000159874755 527977468 /nfs/dbraw/zinc/97/74/68/527977468.db2.gz BSBKGNRCSBTZSG-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000158170444 528152797 /nfs/dbraw/zinc/15/27/97/528152797.db2.gz JVBUXTNJZIVPBM-ZFWWWQNUSA-N 0 0 340.468 1.093 10 0 EDAERN CC1CCC(NC(=O)[C@H]2CCCCS2(=O)=O)(C(N)=S)CC1 ZINC000168465789 528201251 /nfs/dbraw/zinc/20/12/51/528201251.db2.gz FDBGFVDKWILULQ-IQLKVPPVSA-N 0 0 332.491 1.305 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2 ZINC000154929155 528338788 /nfs/dbraw/zinc/33/87/88/528338788.db2.gz BITOWJQTLKKCQY-LLVKDONJSA-N 0 0 344.423 1.394 10 0 EDAERN CCNS(=O)(=O)c1ccc(F)c(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000155146742 528383902 /nfs/dbraw/zinc/38/39/02/528383902.db2.gz NJXVQVCEPRMYIF-GHMZBOCLSA-N 0 0 344.408 1.373 10 0 EDAERN CCCNC(=O)[C@H](C)Nc1ncc(I)cn1 ZINC000159043278 528435924 /nfs/dbraw/zinc/43/59/24/528435924.db2.gz HYSRFIDHHLHDPO-ZETCQYMHSA-N 0 0 334.161 1.408 10 0 EDAERN CCCNC(=O)[C@H]1COCCN1c1cc(C)c(Br)cn1 ZINC000166328470 528442801 /nfs/dbraw/zinc/44/28/01/528442801.db2.gz MDQNCEKXNIIZHO-GFCCVEGCSA-N 0 0 342.237 1.884 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H](O)c1ccccc1)CC2 ZINC000181747601 528479043 /nfs/dbraw/zinc/47/90/43/528479043.db2.gz CSLSBAGLYDKEAU-HUUCEWRRSA-N 0 0 343.431 1.749 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000184372079 528479285 /nfs/dbraw/zinc/47/92/85/528479285.db2.gz GULBUOKUHYYTFH-CQSZACIVSA-N 0 0 333.388 1.571 10 0 EDAERN CCN(CCO)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000175009197 528524361 /nfs/dbraw/zinc/52/43/61/528524361.db2.gz FAIIRLGSMSAAQS-CQSZACIVSA-N 0 0 341.477 1.454 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173997910 528577318 /nfs/dbraw/zinc/57/73/18/528577318.db2.gz DDTLKXPOSDYHJW-CQSZACIVSA-N 0 0 340.445 1.181 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000181225626 528577467 /nfs/dbraw/zinc/57/74/67/528577467.db2.gz IUYPUWMWWFDRNW-UONOGXRCSA-N 0 0 326.418 1.812 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000181462920 528615858 /nfs/dbraw/zinc/61/58/58/528615858.db2.gz XRHOXYOSWHHNOT-MFKMUULPSA-N 0 0 326.343 1.593 10 0 EDAERN CCOC(=O)C1CCN(C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1 ZINC000153502724 528637448 /nfs/dbraw/zinc/63/74/48/528637448.db2.gz YZDCLWZJPZAFKD-GFCCVEGCSA-N 0 0 349.435 1.660 10 0 EDAERN CC(C)n1ncc(Br)c1C(=O)[C@H](N)c1cnn(C)c1 ZINC000164627188 528651912 /nfs/dbraw/zinc/65/19/12/528651912.db2.gz ZAAAAONDJAPXNY-SNVBAGLBSA-N 0 0 326.198 1.843 10 0 EDAERN CC(C)n1ncc(NC[C@@H](C)[S@@](C)=O)c(Br)c1=O ZINC000158693820 528652966 /nfs/dbraw/zinc/65/29/66/528652966.db2.gz NCRZWCTXGQITSR-CVJBHZAOSA-N 0 0 336.255 1.766 10 0 EDAERN CCCOc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000187053498 528671627 /nfs/dbraw/zinc/67/16/27/528671627.db2.gz NFWUJRZSZKKFJS-UHFFFAOYSA-N 0 0 332.404 1.290 10 0 EDAERN CCOC(=O)NCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179541917 529028463 /nfs/dbraw/zinc/02/84/63/529028463.db2.gz KDZDZTNSXXZTMV-GFCCVEGCSA-N 0 0 335.408 1.414 10 0 EDAERN CC(C)N1CCO[C@H](c2nsc(I)n2)C1 ZINC000166108938 529057542 /nfs/dbraw/zinc/05/75/42/529057542.db2.gz VGFDMMRNBBTFIC-ZETCQYMHSA-N 0 0 339.202 1.924 10 0 EDAERN CCN(C(C)=O)c1nc(CN2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173938397 529107607 /nfs/dbraw/zinc/10/76/07/529107607.db2.gz IJUSXUGYBMXJNF-OAHLLOKOSA-N 0 0 338.477 1.422 10 0 EDAERN CC(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165889926 529132984 /nfs/dbraw/zinc/13/29/84/529132984.db2.gz QHJAGJWNHCMPGY-UHFFFAOYSA-N 0 0 340.232 1.379 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)c1c(C)nn(C)c1C ZINC000249343746 536542285 /nfs/dbraw/zinc/54/22/85/536542285.db2.gz TYBYLPWCJKCFFB-RDBSUJKOSA-N 0 0 347.415 1.552 10 0 EDAERN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](N2CCOCC2)C1 ZINC000247236790 534922490 /nfs/dbraw/zinc/92/24/90/534922490.db2.gz XKZHJHMEORIELR-GDBMZVCRSA-N 0 0 345.443 1.623 10 0 EDAERN CC(C)(C)c1nn(-c2ccccc2)cc1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093884922 534923742 /nfs/dbraw/zinc/92/37/42/534923742.db2.gz MUMSEDGSJGSWNA-NVXWUHKLSA-N 0 0 340.427 1.999 10 0 EDAERN CC(C)n1nnnc1CNc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000124086896 535170442 /nfs/dbraw/zinc/17/04/42/535170442.db2.gz FLFGFCLBUNPSSJ-UHFFFAOYSA-N 0 0 327.385 1.550 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2ccccc2OC)C[C@H]1C ZINC000247176030 535603529 /nfs/dbraw/zinc/60/35/29/535603529.db2.gz NGNVEWLFBVKSKF-MRXNPFEDSA-N 0 0 349.475 1.354 10 0 EDAERN CCOCCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1C ZINC000246063119 535606426 /nfs/dbraw/zinc/60/64/26/535606426.db2.gz ZCEJSXXPIOCIRB-SJLPKXTDSA-N 0 0 331.460 1.835 10 0 EDAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000246936675 535637233 /nfs/dbraw/zinc/63/72/33/535637233.db2.gz GTRMZCYIOFOSLJ-MJBXVCDLSA-N 0 0 347.463 1.829 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)C(C)C ZINC000248904180 536380622 /nfs/dbraw/zinc/38/06/22/536380622.db2.gz USPGMEJKWDTVEE-ARFHVFGLSA-N 0 0 333.432 1.977 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)[C@@H](C)OC)C(C)C ZINC000191449920 536999017 /nfs/dbraw/zinc/99/90/17/536999017.db2.gz TYBRHHCCPXBREP-WOSRLPQWSA-N 0 0 336.432 1.989 10 0 EDAERN COc1cc2c(cc1O)OC[C@@]1(O)c3cc4c(cc3O[C@@H]21)OCO4 ZINC000001531824 560181511 /nfs/dbraw/zinc/18/15/11/560181511.db2.gz DQXBSJMCLQLJKV-DLBZAZTESA-N 0 0 330.292 1.843 10 0 biogenic,in-vitro EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ncc(C)cc2OC)cn1 ZINC000888093720 591022938 /nfs/dbraw/zinc/02/29/38/591022938.db2.gz PRVGXDHSNOTVGF-DZGCQCFKSA-N 0 0 346.387 1.191 10 0 EDAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)CCc1nncn1-c1ccccc1 ZINC000888093114 591023057 /nfs/dbraw/zinc/02/30/57/591023057.db2.gz STRKGKNBRBHSKI-AWEZNQCLSA-N 0 0 341.415 1.373 10 0 EDAERN COc1cccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1C ZINC000888094890 591025618 /nfs/dbraw/zinc/02/56/18/591025618.db2.gz FIJCQHNHWWWHGV-QRTARXTBSA-N 0 0 332.400 1.560 10 0 EDAERN Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccc(=O)[nH]c2C)C3)n1 ZINC000888098059 591027560 /nfs/dbraw/zinc/02/75/60/591027560.db2.gz BLTFQTDQDSOAIB-SJCJKPOMSA-N 0 0 328.372 1.981 10 0 EDAERN CC(C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C)=C1CCC1 ZINC000888098241 591028244 /nfs/dbraw/zinc/02/82/44/591028244.db2.gz CGWDLYRNADHJCK-HUUCEWRRSA-N 0 0 332.448 1.837 10 0 EDAERN CN1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)n[nH]1 ZINC000896200356 591381789 /nfs/dbraw/zinc/38/17/89/591381789.db2.gz CBFQSQZZZFAJNR-CJNGLKHVSA-N 0 0 328.420 1.678 10 0 EDAERN O=C(CNC(=O)C1CCCCC1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899073301 591672844 /nfs/dbraw/zinc/67/28/44/591672844.db2.gz YKACJRWNXPBONL-OAHLLOKOSA-N 0 0 345.447 1.625 10 0 EDAERN Cc1c[nH]cc1C(=O)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818497101 593701418 /nfs/dbraw/zinc/70/14/18/593701418.db2.gz WXNOJBREWOHTAR-KRWDZBQOSA-N 0 0 330.388 1.793 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000110896240 595571878 /nfs/dbraw/zinc/57/18/78/595571878.db2.gz WLZLHVMNEZFJMX-SCZZXKLOSA-N 0 0 333.219 1.777 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)n1 ZINC000110896244 595572109 /nfs/dbraw/zinc/57/21/09/595572109.db2.gz WLZLHVMNEZFJMX-PSASIEDQSA-N 0 0 333.219 1.777 10 0 EDAERN CNc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1 ZINC000858008163 595684826 /nfs/dbraw/zinc/68/48/26/595684826.db2.gz MEBCKNBXGBVNSZ-SWLSCSKDSA-N 0 0 329.404 1.755 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cn3c(=O)oc4ccc(C)cc43)CCO2)c1 ZINC000112071453 596016638 /nfs/dbraw/zinc/01/66/38/596016638.db2.gz WQAUHFHSBXAMKU-OAHLLOKOSA-N 0 0 342.399 1.766 10 0 EDAERN Cc1ccncc1CC(=O)N1CC[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864833718 596375808 /nfs/dbraw/zinc/37/58/08/596375808.db2.gz ORQUHKRSARRWLH-CYBMUJFWSA-N 0 0 341.415 1.510 10 0 EDAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@@H](CCO)C1 ZINC000122830570 596669929 /nfs/dbraw/zinc/66/99/29/596669929.db2.gz BOAWZHIMIRTELQ-JTQLQIEISA-N 0 0 329.809 1.381 10 0 EDAERN CCn1[nH]c(C)nc1=NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000888523384 596683167 /nfs/dbraw/zinc/68/31/67/596683167.db2.gz LGANDLWOHCDMRP-SNVBAGLBSA-N 0 0 331.376 1.682 10 0 EDAERN CC(=O)[C@H]1CCCN(c2ncc(I)cn2)C1 ZINC000126177274 597351874 /nfs/dbraw/zinc/35/18/74/597351874.db2.gz UNTOCFXKMRCCHX-VIFPVBQESA-N 0 0 331.157 1.887 10 0 EDAERN OCCC[C@H]1CCCN1c1ncc(I)cn1 ZINC000126295796 597414777 /nfs/dbraw/zinc/41/47/77/597414777.db2.gz NZGNSMWSSDAACV-SNVBAGLBSA-N 0 0 333.173 1.823 10 0 EDAERN COC(=O)c1ccc(NC(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)s1 ZINC000888893565 597679236 /nfs/dbraw/zinc/67/92/36/597679236.db2.gz IZWKRHUKOPWURP-JTQLQIEISA-N 0 0 349.416 1.778 10 0 EDAERN O=C([O-])[C@@H]1CC12CC[NH+](CCCN1C(=O)c3ccccc3C1=O)CC2 ZINC000405351925 600300720 /nfs/dbraw/zinc/30/07/20/600300720.db2.gz DYYFOYOXPUYJAW-HNNXBMFYSA-N 0 0 342.395 1.859 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000175320418 697727000 /nfs/dbraw/zinc/72/70/00/697727000.db2.gz NJIJJICUDLAAPR-GFCCVEGCSA-N 0 0 346.456 1.286 10 0 EDAERN NC(=O)c1csc(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000179505054 698129745 /nfs/dbraw/zinc/12/97/45/698129745.db2.gz FLYVKRWFYLZULE-KRWDZBQOSA-N 0 0 345.468 1.698 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185760022 705016359 /nfs/dbraw/zinc/01/63/59/705016359.db2.gz UHFDDQYJPVTTID-WBMJQRKESA-N 0 0 327.384 1.560 10 0 EDAERN COC(=O)CCN(C)CC(=O)Nc1ccc(Br)cc1 ZINC000050067816 214044191 /nfs/dbraw/zinc/04/41/91/214044191.db2.gz XZSVPZKWTPOJGA-UHFFFAOYSA-N 0 0 329.194 1.883 10 0 EDAERN COC[C@@H](O)CN(C)CC(=O)Nc1ccc(Br)cc1F ZINC000050119772 214045482 /nfs/dbraw/zinc/04/54/82/214045482.db2.gz LSWYHXOCRRJFMS-JTQLQIEISA-N 0 0 349.200 1.466 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)N1CCCCC1=O)C(C)C ZINC000178857821 290604152 /nfs/dbraw/zinc/60/41/52/290604152.db2.gz QPONIANWKFSCJY-UKRRQHHQSA-N 0 0 325.453 1.300 10 0 EDAERN CC[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cnc1N ZINC000050630860 214061739 /nfs/dbraw/zinc/06/17/39/214061739.db2.gz QLHKZMXMHAWNNF-SECBINFHSA-N 0 0 334.239 1.989 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)NCC(F)(F)F ZINC000050634408 214061743 /nfs/dbraw/zinc/06/17/43/214061743.db2.gz GSJKPXQBXXEMPQ-UHFFFAOYSA-N 0 0 348.144 1.726 10 0 EDAERN CC[C@H](C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000050651405 214063922 /nfs/dbraw/zinc/06/39/22/214063922.db2.gz DLMDSGPGDOYUHL-JTQLQIEISA-N 0 0 334.463 1.551 10 0 EDAERN CCC(CC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000050637912 214064056 /nfs/dbraw/zinc/06/40/56/214064056.db2.gz FBLGWTUAXZMUNQ-UHFFFAOYSA-N 0 0 334.463 1.599 10 0 EDAERN Nc1ncc(Br)cc1S(=O)(=O)NCc1nccs1 ZINC000050672751 214065796 /nfs/dbraw/zinc/06/57/96/214065796.db2.gz GIFGLMNHLDEYJK-UHFFFAOYSA-N 0 0 349.235 1.361 10 0 EDAERN Nc1ncc(Br)cc1S(=O)(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000050672448 214066234 /nfs/dbraw/zinc/06/62/34/214066234.db2.gz VXNCXECDMVAPNU-IONNQARKSA-N 0 0 332.223 1.599 10 0 EDAERN Nc1ncc(Br)cc1C(=O)N1CCCC[C@H]1CCO ZINC000050700046 214066812 /nfs/dbraw/zinc/06/68/12/214066812.db2.gz LUHHIKHOSRPLFN-JTQLQIEISA-N 0 0 328.210 1.803 10 0 EDAERN CCCNC(=O)CNC(=O)c1cc(Br)cnc1NCC ZINC000050755068 214069516 /nfs/dbraw/zinc/06/95/16/214069516.db2.gz OUJAITQGPMWOKI-UHFFFAOYSA-N 0 0 343.225 1.532 10 0 EDAERN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)[C@@H]1CCC(=O)N1c1ccccc1 ZINC000062522925 214721841 /nfs/dbraw/zinc/72/18/41/214721841.db2.gz VDULPEXOGVHDBF-CABCVRRESA-N 0 0 343.383 1.281 10 0 EDAERN COCCN[C@H](C(=O)OC)c1ccc(OC)c(Br)c1 ZINC000053258517 214174221 /nfs/dbraw/zinc/17/42/21/214174221.db2.gz YFKUBEJBCSKZGB-LBPRGKRZSA-N 0 0 332.194 1.908 10 0 EDAERN CN(CCNc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000053385882 214180199 /nfs/dbraw/zinc/18/01/99/214180199.db2.gz BRSXKZXZQFFITQ-NSHDSACASA-N 0 0 347.278 1.980 10 0 EDAERN CC[C@@H](CC(N)=S)NS(=O)(=O)c1cccc2nsnc21 ZINC000054162875 214220673 /nfs/dbraw/zinc/22/06/73/214220673.db2.gz CYKUJZNPUVPTRD-ZETCQYMHSA-N 0 0 330.460 1.424 10 0 EDAERN CCCCS(=O)(=O)N1CCCN(C(=O)c2cc(C)on2)CC1 ZINC000062612446 214725821 /nfs/dbraw/zinc/72/58/21/214725821.db2.gz YJDDDMRISZYPOX-UHFFFAOYSA-N 0 0 329.422 1.261 10 0 EDAERN Cc1cc(N2CCC[C@H](Nc3cn[nH]c(=O)c3Cl)C2=O)n(C)n1 ZINC000172809570 230826037 /nfs/dbraw/zinc/82/60/37/230826037.db2.gz FKYHSCVUEBOLBD-VIFPVBQESA-N 0 0 336.783 1.073 10 0 EDAERN COCCNCc1nnnn1-c1c(F)cc(F)cc1Br ZINC000054745033 214254527 /nfs/dbraw/zinc/25/45/27/214254527.db2.gz IFFXFLUSWFFHLE-UHFFFAOYSA-N 0 0 348.151 1.439 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3cccnc3)C2=O)n(C)n1 ZINC000173066875 230873307 /nfs/dbraw/zinc/87/33/07/230873307.db2.gz CHZPEGMHXQRBOQ-MVGZEHJDSA-N 0 0 339.399 1.449 10 0 EDAERN O=C(c1ccccc1Cn1cncn1)N1CCC[C@H](n2cncn2)C1 ZINC000173474649 230948621 /nfs/dbraw/zinc/94/86/21/230948621.db2.gz MUABCPNIZRVKFN-HNNXBMFYSA-N 0 0 337.387 1.395 10 0 EDAERN C[C@H](NC(=O)c1csc(N)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000055188763 214285696 /nfs/dbraw/zinc/28/56/96/214285696.db2.gz TZJZAGNQGWRHFE-QMMMGPOBSA-N 0 0 325.415 1.620 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1C ZINC000173697671 231009295 /nfs/dbraw/zinc/00/92/95/231009295.db2.gz FPGYNLUMNNQCSZ-CQSZACIVSA-N 0 0 327.388 1.697 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)C=Cc3ccccc3)CCO2)[nH]1 ZINC000173734496 231018124 /nfs/dbraw/zinc/01/81/24/231018124.db2.gz NYZFCUBINGHFSE-DNGMOHDESA-N 0 0 334.401 1.487 10 0 EDAERN Cc1ccc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(Cl)c1 ZINC000173994034 231094078 /nfs/dbraw/zinc/09/40/78/231094078.db2.gz NCCKWOFQHBXTAQ-AWEZNQCLSA-N 0 0 337.851 1.993 10 0 EDAERN Nc1ccccc1CNS(=O)(=O)c1cncc(Br)c1 ZINC000050015315 214040442 /nfs/dbraw/zinc/04/04/42/214040442.db2.gz KEQQELVNXICWON-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CC=CCC3)C2=O)n(C)n1 ZINC000175091448 231383117 /nfs/dbraw/zinc/38/31/17/231383117.db2.gz XHJCMPWFZJAORP-UONOGXRCSA-N 0 0 331.420 1.632 10 0 EDAERN O=C(NC[C@H]1Oc2ccccc2NC1=O)c1ccc2c(c1)OCO2 ZINC000049739034 214030617 /nfs/dbraw/zinc/03/06/17/214030617.db2.gz GNGFUEGAZLTKCY-OAHLLOKOSA-N 0 0 326.308 1.545 10 0 EDAERN Cc1c(Cl)cccc1NC(=O)[C@H]1CCC(=O)N1S(C)(=O)=O ZINC000049676797 214026197 /nfs/dbraw/zinc/02/61/97/214026197.db2.gz HITYIYIGQZGXOM-LLVKDONJSA-N 0 0 330.793 1.538 10 0 EDAERN Cc1c(C(=O)N2CCc3ccccc32)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000049658288 214025626 /nfs/dbraw/zinc/02/56/26/214025626.db2.gz WXROLUBQSSPIRB-AWEZNQCLSA-N 0 0 345.424 1.754 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)CCc2cccn2C)CC1 ZINC000181852529 529698607 /nfs/dbraw/zinc/69/86/07/529698607.db2.gz JNCHJUVIAVGBTI-RDJZCZTQSA-N 0 0 336.480 1.444 10 0 EDAERN COCCOCCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176411384 231642672 /nfs/dbraw/zinc/64/26/72/231642672.db2.gz DLWCCKIWAXMRJR-AWEZNQCLSA-N 0 0 336.436 1.721 10 0 EDAERN CS(=O)(=O)N1CCC(C(=O)N2CCC(n3cccc3)CC2)CC1 ZINC000060449758 214638161 /nfs/dbraw/zinc/63/81/61/214638161.db2.gz CASDUFFVVCKJNT-UHFFFAOYSA-N 0 0 339.461 1.323 10 0 EDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)[nH]1 ZINC000173738148 529700913 /nfs/dbraw/zinc/70/09/13/529700913.db2.gz HIRRHYNAARUIOK-LBPRGKRZSA-N 0 0 340.380 1.268 10 0 EDAERN O=S(=O)(c1cccs1)N1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049482735 214011459 /nfs/dbraw/zinc/01/14/59/214011459.db2.gz YPPJYKYULRMWKW-UHFFFAOYSA-N 0 0 349.397 1.376 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2ccccc21 ZINC000166719182 529901490 /nfs/dbraw/zinc/90/14/90/529901490.db2.gz SEXORJNPLFFHQD-HNNXBMFYSA-N 0 0 325.368 1.515 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1cc(OC)nc2ccccc12 ZINC000159177557 529902575 /nfs/dbraw/zinc/90/25/75/529902575.db2.gz JYHVHAIDNZMEAC-HNNXBMFYSA-N 0 0 342.399 1.663 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(OCC(F)F)n1 ZINC000184499621 529923900 /nfs/dbraw/zinc/92/39/00/529923900.db2.gz LJILXIMAVQWATD-SECBINFHSA-N 0 0 328.319 1.468 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cnc3sccn3c2=O)C1 ZINC000101528316 219131905 /nfs/dbraw/zinc/13/19/05/219131905.db2.gz WINFJQWOSOVSIN-NSHDSACASA-N 0 0 348.428 1.277 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2ncccc2Br)C1 ZINC000231764875 539414507 /nfs/dbraw/zinc/41/45/07/539414507.db2.gz FFWGVCIZZBEOOO-JTQLQIEISA-N 0 0 328.210 1.295 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(N(C)C)cc2F)C[C@H]1N1CCOCC1 ZINC000157858386 290770799 /nfs/dbraw/zinc/77/07/99/290770799.db2.gz JSJGWINDUZQUHM-SUMWQHHRSA-N 0 0 335.423 1.684 10 0 EDAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 ZINC000178777680 232472807 /nfs/dbraw/zinc/47/28/07/232472807.db2.gz FCNDUQWGCKAKBX-JSGCOSHPSA-N 0 0 346.387 1.455 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2F)C1 ZINC000102102258 219186550 /nfs/dbraw/zinc/18/65/50/219186550.db2.gz YLTINUBMTCUMQY-ZDUSSCGKSA-N 0 0 349.406 1.980 10 0 EDAERN CC(C)CN(CC(N)=O)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000248896002 535045780 /nfs/dbraw/zinc/04/57/80/535045780.db2.gz KBTKWIUVFYBVPG-LRDDRELGSA-N 0 0 344.477 1.155 10 0 EDAERN O=C(CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)Nc1nncs1 ZINC000178903880 232589966 /nfs/dbraw/zinc/58/99/66/232589966.db2.gz SVERTOVNDWSLKP-BXKDBHETSA-N 0 0 340.355 1.563 10 0 EDAERN C[C@@H](C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)N1C(=O)c2ccccc2C1=O ZINC000245508892 539593689 /nfs/dbraw/zinc/59/36/89/539593689.db2.gz SUCARFQAQWUJAU-RNJOBUHISA-N 0 0 330.384 1.743 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cncc(Br)c1 ZINC000126903494 222766163 /nfs/dbraw/zinc/76/61/63/222766163.db2.gz WZENPAIHBUFXJK-JTQLQIEISA-N 0 0 327.182 1.586 10 0 EDAERN [NH3+]C1(C(=O)NCC2CCN(Cc3nc4ccccc4[nH]3)CC2)CC1 ZINC000067817652 215219325 /nfs/dbraw/zinc/21/93/25/215219325.db2.gz JZTQZPQOGPCUBW-UHFFFAOYSA-N 0 0 327.432 1.382 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2ccccc2)[nH]1 ZINC000179477995 233082011 /nfs/dbraw/zinc/08/20/11/233082011.db2.gz QPOSBZVQUWAKEM-OAHLLOKOSA-N 0 0 329.400 1.105 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000248442310 539687744 /nfs/dbraw/zinc/68/77/44/539687744.db2.gz FAJBLXOLXPIHAI-HZPDHXFCSA-N 0 0 337.395 1.319 10 0 EDAERN COCc1cc(C[C@@H]2C[C@H](NC(=O)N3CCOCC3)C2(C)C)no1 ZINC000067890236 215242686 /nfs/dbraw/zinc/24/26/86/215242686.db2.gz KGJPVYGEMCFKLW-DOMZBBRYSA-N 0 0 337.420 1.820 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000245601002 282638619 /nfs/dbraw/zinc/63/86/19/282638619.db2.gz IWKAIWPKGMEHMX-INWMFGNUSA-N 0 0 347.390 1.069 10 0 EDAERN O=C(CCc1nc(-c2ncccn2)no1)N1CCO[C@H]2CCCC[C@H]21 ZINC000067985243 215267655 /nfs/dbraw/zinc/26/76/55/215267655.db2.gz FYZXDTBJBJGHBD-OLZOCXBDSA-N 0 0 343.387 1.629 10 0 EDAERN Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(C)c1 ZINC000041209464 213431888 /nfs/dbraw/zinc/43/18/88/213431888.db2.gz OQLPLFTZOLEZDH-UHFFFAOYSA-N 0 0 336.417 1.594 10 0 EDAERN CN(C(=O)c1cc(-c2ccccc2)n(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000041211163 213431353 /nfs/dbraw/zinc/43/13/53/213431353.db2.gz XJNBJWNLTQPKGV-ZDUSSCGKSA-N 0 0 333.413 1.346 10 0 EDAERN COC[C@@H](C)C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000103520944 219311485 /nfs/dbraw/zinc/31/14/85/219311485.db2.gz ULSQLKYBMUEJHV-PWSUYJOCSA-N 0 0 335.322 1.844 10 0 EDAERN O=Cc1ccc(OCCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000068429941 215307442 /nfs/dbraw/zinc/30/74/42/215307442.db2.gz HFOFIPXYZYNYFK-OAHLLOKOSA-N 0 0 328.372 1.723 10 0 EDAERN CCCCc1noc([C@H](C)S(=O)(=O)Cc2nnnn2C(C)C)n1 ZINC000195426399 535129629 /nfs/dbraw/zinc/12/96/29/535129629.db2.gz UWGGBWFUNPZADX-JTQLQIEISA-N 0 0 342.425 1.656 10 0 EDAERN CCOc1ccc(N2C(=O)C[C@@H](Sc3nnnn3C)C2=O)cc1 ZINC000002347006 209843323 /nfs/dbraw/zinc/84/33/23/209843323.db2.gz JMRPBYOJFSPIEB-LLVKDONJSA-N 0 0 333.373 1.033 10 0 EDAERN COCCNC(=O)c1cc2ccc(OC(=O)C(C)C)cc2oc1=O ZINC000040891030 213396783 /nfs/dbraw/zinc/39/67/83/213396783.db2.gz NQJDCIHBDCAZCI-UHFFFAOYSA-N 0 0 333.340 1.731 10 0 EDAERN Cc1nc(Cl)sc1S(=O)(=O)NCc1nnc2ccccn21 ZINC000040804641 213388722 /nfs/dbraw/zinc/38/87/22/213388722.db2.gz FPFNSJUAHWXDDO-UHFFFAOYSA-N 0 0 343.821 1.626 10 0 EDAERN O=C1COc2cc(N[C@H]3CCCS(=O)(=O)C3)c(Cl)cc2N1 ZINC000069136133 215363782 /nfs/dbraw/zinc/36/37/82/215363782.db2.gz NOHIWKKQFQLPQY-QMMMGPOBSA-N 0 0 330.793 1.660 10 0 EDAERN CCNc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(Cl)n1 ZINC000069146245 215364508 /nfs/dbraw/zinc/36/45/08/215364508.db2.gz OCGQDCXPNBCVHJ-SNVBAGLBSA-N 0 0 331.825 1.474 10 0 EDAERN O=C(CCS(=O)(=O)c1ccccc1)NCC(=O)Nc1ccccc1 ZINC000040655870 213365114 /nfs/dbraw/zinc/36/51/14/213365114.db2.gz XGYUKIJLFHHPLY-UHFFFAOYSA-N 0 0 346.408 1.605 10 0 EDAERN C/C(=C\c1ccccc1F)C(=O)N1CCO[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000040666327 213366441 /nfs/dbraw/zinc/36/64/41/213366441.db2.gz PFRSGEPXLXJXGF-QUZONKQVSA-N 0 0 339.388 1.253 10 0 EDAERN CCN(Cc1ccccc1)C(=O)CCS(=O)(=O)N1CCOCC1 ZINC000040641822 213364362 /nfs/dbraw/zinc/36/43/62/213364362.db2.gz YVBMZQPJAMUHFP-UHFFFAOYSA-N 0 0 340.445 1.087 10 0 EDAERN CC(C)(C)c1ccc(C(=O)N2CCO[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000040624513 213361658 /nfs/dbraw/zinc/36/16/58/213361658.db2.gz BOXFFEJCGZJWSF-HUUCEWRRSA-N 0 0 337.441 1.622 10 0 EDAERN CCCS(=O)(=O)NC[C@@](C)(O)c1ccc(Br)cc1 ZINC000040630107 213360668 /nfs/dbraw/zinc/36/06/68/213360668.db2.gz KMRFERCIGFOIDV-GFCCVEGCSA-N 0 0 336.251 1.986 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)c1 ZINC000181096818 234085609 /nfs/dbraw/zinc/08/56/09/234085609.db2.gz VNWUHBANGOHNJW-KGLIPLIRSA-N 0 0 346.412 1.012 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)Cc3ccncc3)CC2)n1 ZINC000181986120 234407452 /nfs/dbraw/zinc/40/74/52/234407452.db2.gz DDQOPIIOLNYDLB-UHFFFAOYSA-N 0 0 327.388 1.162 10 0 EDAERN CC(=O)Nc1ccc(NC(=S)N[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000040166465 213278688 /nfs/dbraw/zinc/27/86/88/213278688.db2.gz VKOKFYBLGCUJJL-GFCCVEGCSA-N 0 0 325.415 1.242 10 0 EDAERN CC(C)CCNC(=O)Cc1csc(NC(=O)c2cnccn2)n1 ZINC000038740026 213223571 /nfs/dbraw/zinc/22/35/71/213223571.db2.gz CMAAFIRWUQYXRY-UHFFFAOYSA-N 0 0 333.417 1.890 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NC[C@@H]3Cc4ccccc43)CCO2)[nH]1 ZINC000175436675 540097237 /nfs/dbraw/zinc/09/72/37/540097237.db2.gz USEHFKYEHBNVLT-DZGCQCFKSA-N 0 0 327.388 1.536 10 0 EDAERN CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@@H](C)C1CC1 ZINC000176934362 540102771 /nfs/dbraw/zinc/10/27/71/540102771.db2.gz COWNHAQOZILJEJ-NSHDSACASA-N 0 0 338.429 1.722 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)N[C@@H](C(=O)NC)C(C)C)c(C)c1 ZINC000178923991 540114082 /nfs/dbraw/zinc/11/40/82/540114082.db2.gz IICXRMYVALCGSU-CQSZACIVSA-N 0 0 334.420 1.637 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(C)nc(=O)[nH]1 ZINC000182686865 540133073 /nfs/dbraw/zinc/13/30/73/540133073.db2.gz SQMRWILRDJYTQF-NHYWBVRUSA-N 0 0 342.399 1.862 10 0 EDAERN O=C(CNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)NCC1CC1 ZINC000183791687 235227827 /nfs/dbraw/zinc/22/78/27/235227827.db2.gz FERUSEKHJIGKCJ-HNNXBMFYSA-N 0 0 335.404 1.496 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCSC[C@H]1c1ccc(C)cc1 ZINC000189036849 540162736 /nfs/dbraw/zinc/16/27/36/540162736.db2.gz NAYWUDNAIQEIBC-ZACQAIPSSA-N 0 0 348.468 1.593 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000189320459 540164315 /nfs/dbraw/zinc/16/43/15/540164315.db2.gz XKBQZIHQTFRICV-BRWVUGGUSA-N 0 0 331.416 1.071 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N[C@@H]1CCC(=O)NC1=O ZINC000184252717 235347625 /nfs/dbraw/zinc/34/76/25/235347625.db2.gz OQJRJBGDCKAALY-MNOVXSKESA-N 0 0 343.305 1.264 10 0 EDAERN NC(=S)c1cccc(NC(=O)Cn2cc(Br)cn2)c1 ZINC000038054326 213198368 /nfs/dbraw/zinc/19/83/68/213198368.db2.gz RWGAFEBWMOYOID-UHFFFAOYSA-N 0 0 339.218 1.919 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000105838721 219557288 /nfs/dbraw/zinc/55/72/88/219557288.db2.gz HUXHZDNPWGVFAB-UHFFFAOYSA-N 0 0 336.827 1.317 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](CCO)CC(C)C ZINC000247051127 535299417 /nfs/dbraw/zinc/29/94/17/535299417.db2.gz TYRYPSGMJNTJFE-CABCVRRESA-N 0 0 348.509 1.352 10 0 EDAERN C[C@@H](NC(=O)NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCO1 ZINC000048522507 138126481 /nfs/dbraw/zinc/12/64/81/138126481.db2.gz OVQJAFOHEPSXHY-IUODEOHRSA-N 0 0 335.404 1.751 10 0 EDAERN O=C(c1cccc(-n2cnnn2)c1)N1CCC(Cn2cccn2)CC1 ZINC000062130979 138166332 /nfs/dbraw/zinc/16/63/32/138166332.db2.gz WWZILINECRDYKJ-UHFFFAOYSA-N 0 0 337.387 1.411 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000087563173 138271953 /nfs/dbraw/zinc/27/19/53/138271953.db2.gz NJMGFWXHSBWBFZ-NSHDSACASA-N 0 0 340.449 1.007 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1ccc(F)c(F)c1 ZINC000105888799 219580497 /nfs/dbraw/zinc/58/04/97/219580497.db2.gz YTXWJFUKQHCZGG-CYBMUJFWSA-N 0 0 336.342 1.501 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000185689625 235724592 /nfs/dbraw/zinc/72/45/92/235724592.db2.gz WXHNHIDRMCFHDL-HNNXBMFYSA-N 0 0 331.416 1.565 10 0 EDAERN O=C1Cc2cc(S(=O)(=O)NCc3cn[nH]c3)c(Cl)cc2N1 ZINC000038007218 213188224 /nfs/dbraw/zinc/18/82/24/213188224.db2.gz SUVBSEPIJNZRRC-UHFFFAOYSA-N 0 0 326.765 1.036 10 0 EDAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1ccco1 ZINC000116211889 138311612 /nfs/dbraw/zinc/31/16/12/138311612.db2.gz TXAQRZCGYXHGJY-NEPJUHHUSA-N 0 0 329.443 1.863 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2CC(c3ccccc3)=NO2)n1 ZINC000121082802 138316834 /nfs/dbraw/zinc/31/68/34/138316834.db2.gz FMLDRGZFCCCIQX-GJZGRUSLSA-N 0 0 342.355 1.471 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)c1cccnc1)c1cccc(-n2ccnc2)c1 ZINC000123605593 138319736 /nfs/dbraw/zinc/31/97/36/138319736.db2.gz YNMOIFIRLZBCHI-CQSZACIVSA-N 0 0 349.394 1.875 10 0 EDAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125177966 138332614 /nfs/dbraw/zinc/33/26/14/138332614.db2.gz MHXMYVNSQXHUNH-OKILXGFUSA-N 0 0 344.415 1.291 10 0 EDAERN CS(=O)(=O)N1CCC[C@H](CN2CCO[C@H](c3nccs3)C2)C1 ZINC000131309288 138356979 /nfs/dbraw/zinc/35/69/79/138356979.db2.gz HAFUNASGXKMVGH-OLZOCXBDSA-N 0 0 345.490 1.188 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000132485541 138377784 /nfs/dbraw/zinc/37/77/84/138377784.db2.gz LHTIFBULPNOHPX-SJKOYZFVSA-N 0 0 332.404 1.131 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cccc3c4c([nH]c32)CCCC4)C1 ZINC000186310620 235874098 /nfs/dbraw/zinc/87/40/98/235874098.db2.gz ANMHDZBXGABKNQ-UHFFFAOYSA-N 0 0 341.411 1.634 10 0 EDAERN CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(Br)cn1C ZINC000037506258 213151768 /nfs/dbraw/zinc/15/17/68/213151768.db2.gz BVGJICRQBRLGRM-SNVBAGLBSA-N 0 0 330.226 1.678 10 0 EDAERN C[C@@H](NCc1ccc(I)o1)c1nncn1C ZINC000037293663 213138923 /nfs/dbraw/zinc/13/89/23/213138923.db2.gz RSQDTOSYJSIMCX-SSDOTTSWSA-N 0 0 332.145 1.864 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)O1 ZINC000133865353 138398814 /nfs/dbraw/zinc/39/88/14/138398814.db2.gz ODNVKBRDJGCWMJ-DYVFJYSZSA-N 0 0 346.427 1.570 10 0 EDAERN COc1c(CNC(=O)N2CCC(c3ccnn3C)CC2)c(C)nn1C ZINC000153814498 138504235 /nfs/dbraw/zinc/50/42/35/138504235.db2.gz OQVSCKGRXXIWJM-UHFFFAOYSA-N 0 0 346.435 1.560 10 0 EDAERN CC[C@H](C)NC(=O)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000036141490 213073225 /nfs/dbraw/zinc/07/32/25/213073225.db2.gz LIMGPRCBMKBATI-JQWIXIFHSA-N 0 0 325.434 1.648 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)c2c(C)noc2C)C[C@H]1C ZINC000036124443 213071723 /nfs/dbraw/zinc/07/17/23/213071723.db2.gz WGVAXOJIJJNIFS-GHMZBOCLSA-N 0 0 331.438 1.021 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@@H](C)C(=O)Nc2cc(C)on2)c1 ZINC000036100664 213067062 /nfs/dbraw/zinc/06/70/62/213067062.db2.gz QABAISVPIQZDJM-JTQLQIEISA-N 0 0 333.344 1.757 10 0 EDAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000187869499 236322357 /nfs/dbraw/zinc/32/23/57/236322357.db2.gz QAPQSTZSGZBKCD-CJNGLKHVSA-N 0 0 340.387 1.105 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188014271 236384440 /nfs/dbraw/zinc/38/44/40/236384440.db2.gz FQUCEBBKSUOGHS-UHFFFAOYSA-N 0 0 333.363 1.200 10 0 EDAERN COC(=O)C[C@H](C)C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000151754989 291138133 /nfs/dbraw/zinc/13/81/33/291138133.db2.gz WVCXSVCXQYCSQV-STQMWFEESA-N 0 0 334.420 1.867 10 0 EDAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H](NC(C)=O)C1)CO2 ZINC000127533075 138616621 /nfs/dbraw/zinc/61/66/21/138616621.db2.gz WWVOGPBFUOYGEE-CABCVRRESA-N 0 0 332.400 1.373 10 0 EDAERN Cc1[nH]c(=O)c(C(=O)N[C@H]2CCCC[C@H]2O)cc1Br ZINC000163198832 138648132 /nfs/dbraw/zinc/64/81/32/138648132.db2.gz DNJMASISEWYLLU-WDEREUQCSA-N 0 0 329.194 1.891 10 0 EDAERN CCCOc1cccn(CC(=O)Nc2ccccc2C(N)=O)c1=O ZINC000071501394 215781997 /nfs/dbraw/zinc/78/19/97/215781997.db2.gz ZRFYGKCNHIZNCY-UHFFFAOYSA-N 0 0 329.356 1.375 10 0 EDAERN CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173894623 138676543 /nfs/dbraw/zinc/67/65/43/138676543.db2.gz IXPBKRNDRDIOQU-HNNXBMFYSA-N 0 0 335.452 1.155 10 0 EDAERN Cc1ccc([C@H](CNc2nccn(C)c2=O)N2CCOCC2)s1 ZINC000174742876 138687305 /nfs/dbraw/zinc/68/73/05/138687305.db2.gz LRHXDQVZNLIYQL-ZDUSSCGKSA-N 0 0 334.445 1.636 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCO[C@@H]2C)s1 ZINC000189618651 237079176 /nfs/dbraw/zinc/07/91/76/237079176.db2.gz OZYIVVKLBFLLES-NEPJUHHUSA-N 0 0 346.474 1.266 10 0 EDAERN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C[C@@H](O)C(C)C)cc1 ZINC000129195475 223031725 /nfs/dbraw/zinc/03/17/25/223031725.db2.gz NHICWYLRZFZHMU-DZGCQCFKSA-N 0 0 327.446 1.680 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3cccc(C)n3)C2=O)n(C)n1 ZINC000184159338 138792345 /nfs/dbraw/zinc/79/23/45/138792345.db2.gz PZMLRJDONZPQCN-ZDUSSCGKSA-N 0 0 342.403 1.749 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)C3=COCCC3)CC2)n1 ZINC000107596317 219790868 /nfs/dbraw/zinc/79/08/68/219790868.db2.gz OLOPYTWOXZVZNA-UHFFFAOYSA-N 0 0 332.404 1.527 10 0 EDAERN CCN(C(=O)CN1CCOC[C@@H]1c1nc(C)no1)C1CCCCC1 ZINC000185083526 138800882 /nfs/dbraw/zinc/80/08/82/138800882.db2.gz FEBVSBPHOCXSFB-OAHLLOKOSA-N 0 0 336.436 1.933 10 0 EDAERN CC(C)[C@@H](O)CC(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000185394851 138804593 /nfs/dbraw/zinc/80/45/93/138804593.db2.gz JYMBKLMAZLMIFM-AWEZNQCLSA-N 0 0 326.418 1.354 10 0 EDAERN CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000129971303 223108165 /nfs/dbraw/zinc/10/81/65/223108165.db2.gz LFKNVLLIYSNCIP-MNOVXSKESA-N 0 0 349.460 1.609 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000190343376 238402048 /nfs/dbraw/zinc/40/20/48/238402048.db2.gz LZOPWSZCDDDRBR-NSHDSACASA-N 0 0 346.717 1.721 10 0 EDAERN O=C([C@@H]1CCOc2ccc(Cl)cc21)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328920985 296039824 /nfs/dbraw/zinc/03/98/24/296039824.db2.gz TXAXLWKEPMPWTM-DGCLKSJQSA-N 0 0 348.790 1.924 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@H](O)C3CCCCC3)CC2)no1 ZINC000187859087 138829349 /nfs/dbraw/zinc/82/93/49/138829349.db2.gz OGDGNZXOLSSIEI-MRXNPFEDSA-N 0 0 336.436 1.354 10 0 EDAERN NC(=O)c1coc(CNC(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)c1 ZINC000188000113 138830438 /nfs/dbraw/zinc/83/04/38/138830438.db2.gz UNBUXFLRNXGCSE-TZMCWYRMSA-N 0 0 349.412 1.358 10 0 EDAERN O=C([O-])c1ccc(-n2ncc(N[C@@H]3CC[NH2+]C3)c(Cl)c2=O)cc1 ZINC000073736264 216418677 /nfs/dbraw/zinc/41/86/77/216418677.db2.gz DCTMQKFJPOIMJR-SNVBAGLBSA-N 0 0 334.763 1.358 10 0 EDAERN O=C(NC1CN(C(=O)c2ccccc2N2CCOCC2)C1)C1CCC1 ZINC000188558572 138844842 /nfs/dbraw/zinc/84/48/42/138844842.db2.gz ZLSDLNUNTMAUQR-UHFFFAOYSA-N 0 0 343.427 1.264 10 0 EDAERN O=C(NC1CN(C(=O)c2cnn(CCC(F)(F)F)c2)C1)C1CCC1 ZINC000188560199 138844953 /nfs/dbraw/zinc/84/49/53/138844953.db2.gz LNEMLUBGWOEFHX-UHFFFAOYSA-N 0 0 344.337 1.576 10 0 EDAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)n1 ZINC000188743723 138850256 /nfs/dbraw/zinc/85/02/56/138850256.db2.gz IMPXZYBTVQOYIX-QWHCGFSZSA-N 0 0 346.387 1.986 10 0 EDAERN Cn1cc(Br)cc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188745888 138850288 /nfs/dbraw/zinc/85/02/88/138850288.db2.gz CMAMNAPOLMEURL-UHFFFAOYSA-N 0 0 340.221 1.528 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCc1cccc2ccccc21 ZINC000188840145 138853357 /nfs/dbraw/zinc/85/33/57/138853357.db2.gz XPVHYJRQLLXDKF-IEBWSBKVSA-N 0 0 340.423 1.822 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000042648171 291319519 /nfs/dbraw/zinc/31/95/19/291319519.db2.gz NHLBTXCICPLBIO-JSGCOSHPSA-N 0 0 334.347 1.806 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000189321059 138867677 /nfs/dbraw/zinc/86/76/77/138867677.db2.gz LOTRBRAJMLRNNO-SNVBAGLBSA-N 0 0 329.322 1.854 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N(CC(C)C)C2CC2)C1 ZINC000189326628 138868007 /nfs/dbraw/zinc/86/80/07/138868007.db2.gz NBTNPJOMIQLJQK-LSDHHAIUSA-N 0 0 336.436 1.787 10 0 EDAERN Cc1cccc([C@H](O)CNc2cc(N3CCC[C@@H]3CO)ncn2)c1 ZINC000132577304 223344202 /nfs/dbraw/zinc/34/42/02/223344202.db2.gz GJAWOWBHMXMHQL-HZPDHXFCSA-N 0 0 328.416 1.892 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCC1(O)CCOCC1)C(C)C ZINC000075228594 216600508 /nfs/dbraw/zinc/60/05/08/216600508.db2.gz NXLDXJQHAVTSNF-INIZCTEOSA-N 0 0 348.443 1.407 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H](C)CC(=O)OC)CC2)n1 ZINC000132814976 223364497 /nfs/dbraw/zinc/36/44/97/223364497.db2.gz OFEHTOUUCWYDAY-RYUDHWBXSA-N 0 0 338.408 1.036 10 0 EDAERN Cc1ccc(CCNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)o1 ZINC000223242307 241620140 /nfs/dbraw/zinc/62/01/40/241620140.db2.gz UDXWFJOPPRMZIF-ROUUACIJSA-N 0 0 342.395 1.845 10 0 EDAERN Cn1c(=O)oc2c1cccc2C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000133380037 223411320 /nfs/dbraw/zinc/41/13/20/223411320.db2.gz WUWQROFTOFSPBT-KZULUSFZSA-N 0 0 330.384 1.899 10 0 EDAERN Cc1ccoc1C(=O)N1Cc2ccnn2[C@@H](COc2ncccn2)C1 ZINC000253478828 244000062 /nfs/dbraw/zinc/00/00/62/244000062.db2.gz NGJIXCZSJMFOBJ-CQSZACIVSA-N 0 0 339.355 1.851 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCNC(=O)CC(C)C)CCO2)cn1 ZINC000191708692 138921764 /nfs/dbraw/zinc/92/17/64/138921764.db2.gz WTUWGDSBBHMCJY-OAHLLOKOSA-N 0 0 336.436 1.355 10 0 EDAERN CCCNC(=O)CN1c2cccc(Br)c2C(=O)C1=O ZINC000019966761 212091170 /nfs/dbraw/zinc/09/11/70/212091170.db2.gz APDCFOSRTMUGDM-UHFFFAOYSA-N 0 0 325.162 1.505 10 0 EDAERN CCc1nc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)sc1C ZINC000193057166 138959803 /nfs/dbraw/zinc/95/98/03/138959803.db2.gz DPKPIJMPDKBUBG-LLVKDONJSA-N 0 0 348.432 1.408 10 0 EDAERN [NH3+][C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-] ZINC000019720212 212057456 /nfs/dbraw/zinc/05/74/56/212057456.db2.gz GGZNCSAAOLXGAW-UWVGGRQHSA-N 0 0 328.777 1.117 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CCc2c1cccc2Cl ZINC000130979875 284191022 /nfs/dbraw/zinc/19/10/22/284191022.db2.gz BTVVOFVVAKMEIE-LBPRGKRZSA-N 0 0 345.790 1.472 10 0 EDAERN COc1ccc(F)cc1CN1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195028830 139005246 /nfs/dbraw/zinc/00/52/46/139005246.db2.gz VXKJWQYXBZZPLI-UHFFFAOYSA-N 0 0 348.426 1.720 10 0 EDAERN O=S(=O)([N-]c1ncc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000049644007 214024057 /nfs/dbraw/zinc/02/40/57/214024057.db2.gz VWRXZDUTZTZCOK-ZCFIWIBFSA-N 0 0 326.241 1.399 10 0 EDAERN O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1ccon1 ZINC000049390611 214004479 /nfs/dbraw/zinc/00/44/79/214004479.db2.gz WSQAGYGLIOWTKW-UHFFFAOYSA-N 0 0 344.327 1.327 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)C1CCCCC1 ZINC000195519799 139019390 /nfs/dbraw/zinc/01/93/90/139019390.db2.gz ZWGQQGRQVUKKOB-UHFFFAOYSA-N 0 0 327.450 1.609 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000195519909 139019797 /nfs/dbraw/zinc/01/97/97/139019797.db2.gz GTUIPEPSLMSCNL-MOKVOYLWSA-N 0 0 341.477 1.901 10 0 EDAERN Nc1cc(Cl)ccc1NC(=O)CCCN1CCS(=O)CC1 ZINC000049691234 214027924 /nfs/dbraw/zinc/02/79/24/214027924.db2.gz SKLMOEDMZVJESD-UHFFFAOYSA-N 0 0 329.853 1.705 10 0 EDAERN Cc1nnc2sc(CCNS(=O)(=O)c3ccccc3C)nn12 ZINC000049721760 214028992 /nfs/dbraw/zinc/02/89/92/214028992.db2.gz VLAVFLGXKFWFPZ-UHFFFAOYSA-N 0 0 337.430 1.324 10 0 EDAERN O=C(c1cc(Cl)cc(Br)c1)N1CCO[C@@H](CO)C1 ZINC000227770667 139022542 /nfs/dbraw/zinc/02/25/42/139022542.db2.gz QLALQCCITRJLGA-LLVKDONJSA-N 0 0 334.597 1.936 10 0 EDAERN COCc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000079372687 217216160 /nfs/dbraw/zinc/21/61/60/217216160.db2.gz DCVIQLRDWIFJLN-SNVBAGLBSA-N 0 0 338.385 1.716 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)/C=C/c3cncc(F)c3)CC2)n1 ZINC000110891210 220075649 /nfs/dbraw/zinc/07/56/49/220075649.db2.gz VJNPVCVDOHFXCQ-PCAWENJQSA-N 0 0 345.378 1.831 10 0 EDAERN CCOCCO[C@H](C)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000110901465 220077764 /nfs/dbraw/zinc/07/77/64/220077764.db2.gz LEWNMTSGMMBRGO-CVEARBPZSA-N 0 0 339.436 1.169 10 0 EDAERN O=C(c1ccc(-c2ncon2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111075302 220095223 /nfs/dbraw/zinc/09/52/23/220095223.db2.gz JYVVXGDLILJCMU-OAHLLOKOSA-N 0 0 339.355 1.474 10 0 EDAERN COCc1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111815885 220195750 /nfs/dbraw/zinc/19/57/50/220195750.db2.gz QMQANHWVKDVMOU-KRWDZBQOSA-N 0 0 344.415 1.640 10 0 EDAERN O=C(NCCCNc1ccccn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111824371 220200920 /nfs/dbraw/zinc/20/09/20/220200920.db2.gz DDFLTHJKQMNXSO-HNNXBMFYSA-N 0 0 344.419 1.191 10 0 EDAERN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@@H]1COCCN1 ZINC000238073050 139068196 /nfs/dbraw/zinc/06/81/96/139068196.db2.gz UGRVVGONRAEUKX-BXKMTCNYSA-N 0 0 344.436 1.921 10 0 EDAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000081488357 217405942 /nfs/dbraw/zinc/40/59/42/217405942.db2.gz HAUJZWLTUCWECE-SJORKVTESA-N 0 0 347.459 1.885 10 0 EDAERN COc1ccccc1CNC(=O)CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000081567354 217419586 /nfs/dbraw/zinc/41/95/86/217419586.db2.gz HOJITKBHUICQDH-CYBMUJFWSA-N 0 0 336.432 1.973 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000081583611 217422635 /nfs/dbraw/zinc/42/26/35/217422635.db2.gz NZVBHZZZXWVTJX-HNNXBMFYSA-N 0 0 328.372 1.819 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)NCCc1ncc[nH]1 ZINC000138476203 223706134 /nfs/dbraw/zinc/70/61/34/223706134.db2.gz JHSWPAJKVOEQMV-UHFFFAOYSA-N 0 0 345.222 1.275 10 0 EDAERN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1csc(S(C)(=O)=O)c1 ZINC000245770183 139085807 /nfs/dbraw/zinc/08/58/07/139085807.db2.gz SBVZHVHLCABSRE-JQWIXIFHSA-N 0 0 328.459 1.460 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000246491808 139110675 /nfs/dbraw/zinc/11/06/75/139110675.db2.gz SNPAYDXRJMYDKZ-FIXISWKDSA-N 0 0 344.358 1.571 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C)s1 ZINC000246498423 139110856 /nfs/dbraw/zinc/11/08/56/139110856.db2.gz MXIQOCMKOCIIEY-FZMZJTMJSA-N 0 0 344.502 1.706 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1F ZINC000246572843 139113353 /nfs/dbraw/zinc/11/33/53/139113353.db2.gz STXMSZYFQNESPN-BBRMVZONSA-N 0 0 342.436 1.475 10 0 EDAERN CC(C)Cc1nnc(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000246538280 139112126 /nfs/dbraw/zinc/11/21/26/139112126.db2.gz AOYHFQOUEXITMK-ZDUSSCGKSA-N 0 0 337.493 1.845 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000246675851 139117191 /nfs/dbraw/zinc/11/71/91/139117191.db2.gz AHJDOTOXUXREAH-PMPSAXMXSA-N 0 0 344.411 1.688 10 0 EDAERN C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCCO1 ZINC000246827910 139123375 /nfs/dbraw/zinc/12/33/75/139123375.db2.gz SXCSHYNLHXDURC-KCQAQPDRSA-N 0 0 334.416 1.792 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cccc(Br)c2)C[C@H]1C ZINC000246916652 139126926 /nfs/dbraw/zinc/12/69/26/139126926.db2.gz YQGQYKBKGYYEMS-NEPJUHHUSA-N 0 0 341.249 1.976 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000089507399 217806041 /nfs/dbraw/zinc/80/60/41/217806041.db2.gz OEPFJILADPLFDN-NXEZZACHSA-N 0 0 341.433 1.746 10 0 EDAERN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247134396 139137256 /nfs/dbraw/zinc/13/72/56/139137256.db2.gz KOCUGYLNLARXLL-RHSMWYFYSA-N 0 0 346.406 1.428 10 0 EDAERN C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000247373043 139146248 /nfs/dbraw/zinc/14/62/48/139146248.db2.gz UYICHLJWILKBRX-GDBMZVCRSA-N 0 0 348.447 1.488 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](C)c2ncc(C)s2)C[C@@H]1C ZINC000248425858 139163291 /nfs/dbraw/zinc/16/32/91/139163291.db2.gz JSGBKLKUURDYKF-OLZOCXBDSA-N 0 0 340.493 1.917 10 0 EDAERN CCOC(=O)NCCC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091762504 218061874 /nfs/dbraw/zinc/06/18/74/218061874.db2.gz KITJDQJOVMIULE-FZMZJTMJSA-N 0 0 342.342 1.735 10 0 EDAERN O=C([C@@H]1CSC(=O)N1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091767126 218062581 /nfs/dbraw/zinc/06/25/81/218062581.db2.gz JKTBJZBMMYQWIH-JFUSQASVSA-N 0 0 328.340 1.424 10 0 EDAERN CCOCC[N@@H+]1CCN(Cc2cn(C)nc2C(=O)OCC)C[C@H]1C ZINC000248697387 139171993 /nfs/dbraw/zinc/17/19/93/139171993.db2.gz KCCYRCJNTSQKKP-CQSZACIVSA-N 0 0 338.452 1.139 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1=O ZINC000091829649 218071788 /nfs/dbraw/zinc/07/17/88/218071788.db2.gz QRTLLLSVYFKTFT-GJZGRUSLSA-N 0 0 333.432 1.043 10 0 EDAERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000248680515 139171397 /nfs/dbraw/zinc/17/13/97/139171397.db2.gz WAHALKZHEIEGIW-SRVKXCTJSA-N 0 0 337.424 1.258 10 0 EDAERN O=C1SCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000010463190 211175155 /nfs/dbraw/zinc/17/51/55/211175155.db2.gz TVGOIJABUDPXEK-SECBINFHSA-N 0 0 341.332 1.896 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1F ZINC000248838840 139177252 /nfs/dbraw/zinc/17/72/52/139177252.db2.gz NKQCHEOVNAVSEI-ZBFHGGJFSA-N 0 0 325.380 1.731 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(F)cc(Cl)c1 ZINC000092929718 218181890 /nfs/dbraw/zinc/18/18/90/218181890.db2.gz KIPABSZUZAWAOQ-ZDUSSCGKSA-N 0 0 331.775 1.294 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248936934 139181001 /nfs/dbraw/zinc/18/10/01/139181001.db2.gz YJHIHBFAWNNQAM-ARFHVFGLSA-N 0 0 331.416 1.340 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)C(C)C)[C@@H](C)O)cc1 ZINC000249070999 139184531 /nfs/dbraw/zinc/18/45/31/139184531.db2.gz LADFUEVIUUVWHB-NFAWXSAZSA-N 0 0 342.461 1.183 10 0 EDAERN CCOCCN(C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000093350688 218216765 /nfs/dbraw/zinc/21/67/65/218216765.db2.gz IMZACQHPRXQCED-GFCCVEGCSA-N 0 0 328.434 1.829 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000249300411 139190752 /nfs/dbraw/zinc/19/07/52/139190752.db2.gz DJWQSAGDGLXQIH-XUXIUFHCSA-N 0 0 348.399 1.731 10 0 EDAERN CCOc1cccc([C@H]2NC(=O)[C@H]3COCCN32)c1OC(F)F ZINC000093884807 218255174 /nfs/dbraw/zinc/25/51/74/218255174.db2.gz ZKCBCXRZULOSLX-MFKMUULPSA-N 0 0 328.315 1.516 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249804817 139198788 /nfs/dbraw/zinc/19/87/88/139198788.db2.gz AZOABZPJGWSBCQ-ZIAGYGMSSA-N 0 0 341.477 1.756 10 0 EDAERN COc1cccc(CNC(=O)[C@@H](C)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000252321812 139204356 /nfs/dbraw/zinc/20/43/56/139204356.db2.gz ZBHQLGWRYWALOS-GDBMZVCRSA-N 0 0 343.431 1.629 10 0 EDAERN CC(C)[C@@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)c1nccn1C ZINC000095400946 218335575 /nfs/dbraw/zinc/33/55/75/218335575.db2.gz QLYKDZKCEYKILO-CJNGLKHVSA-N 0 0 334.424 1.058 10 0 EDAERN CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1Cc1cnc(N)s1 ZINC000261656225 139214888 /nfs/dbraw/zinc/21/48/88/139214888.db2.gz NGBXWAAXJRITDF-GHMZBOCLSA-N 0 0 327.406 1.185 10 0 EDAERN O=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[C@@H]1CCCO1 ZINC000008189769 210910237 /nfs/dbraw/zinc/91/02/37/210910237.db2.gz RTJPOJRRQZVGDY-DOMZBBRYSA-N 0 0 344.367 1.579 10 0 EDAERN COC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000008246625 210918961 /nfs/dbraw/zinc/91/89/61/210918961.db2.gz PNDASLIQRDMLKB-UHFFFAOYSA-N 0 0 348.399 1.543 10 0 EDAERN CCOC(=O)CCc1c(C)nn(-c2ccc3nnc(C)n3n2)c1C ZINC000006769746 210706943 /nfs/dbraw/zinc/70/69/43/210706943.db2.gz QSGZHOTWTAXXRS-UHFFFAOYSA-N 0 0 328.376 1.731 10 0 EDAERN COc1cc(N2CCOC[C@H]2c2nccc(NC3CCC3)n2)ncn1 ZINC000096217516 218691259 /nfs/dbraw/zinc/69/12/59/218691259.db2.gz VMWDLQPKRGTHCU-ZDUSSCGKSA-N 0 0 342.403 1.818 10 0 EDAERN COc1cc(N)ccc1S(=O)(=O)Cc1c(C)nn(C)c1Cl ZINC000167910324 532953248 /nfs/dbraw/zinc/95/32/48/532953248.db2.gz JYKYASVEOJUHJO-UHFFFAOYSA-N 0 0 329.809 1.947 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC000131438820 532960466 /nfs/dbraw/zinc/96/04/66/532960466.db2.gz XNEYEHBAOUHINA-NSHDSACASA-N 0 0 340.445 1.965 10 0 EDAERN COc1ccc(CNC(=O)[C@H]2CC(F)(F)CN2)cc1NC(C)=O ZINC000263187836 139327314 /nfs/dbraw/zinc/32/73/14/139327314.db2.gz HOGPTZMUOJGEGW-GFCCVEGCSA-N 0 0 327.331 1.267 10 0 EDAERN COC[C@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccc(C)o1 ZINC000175677751 533055163 /nfs/dbraw/zinc/05/51/63/533055163.db2.gz ALJUARARTUAQJR-CABCVRRESA-N 0 0 348.403 1.583 10 0 EDAERN CNc1ncc(Br)cc1C(=O)NC[C@@H](C)[S@@](C)=O ZINC000166272774 533086785 /nfs/dbraw/zinc/08/67/85/533086785.db2.gz OHFDYLXMISTCQR-MDTSDYNXSA-N 0 0 334.239 1.383 10 0 EDAERN CC(C)(C(=O)N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000112647077 220362573 /nfs/dbraw/zinc/36/25/73/220362573.db2.gz NKALJGLBHWPXKB-ZDUSSCGKSA-N 0 0 342.399 1.458 10 0 EDAERN Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCc4ncnn4C3)c12 ZINC000112655564 220365347 /nfs/dbraw/zinc/36/53/47/220365347.db2.gz HIHDJJWROYNBRC-NSHDSACASA-N 0 0 338.371 1.745 10 0 EDAERN COc1ccc(OC)c([C@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112741052 220392929 /nfs/dbraw/zinc/39/29/29/220392929.db2.gz SSTHBMASEPIMAV-RYUDHWBXSA-N 0 0 345.403 1.671 10 0 EDAERN COc1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c1OC ZINC000112744914 220393955 /nfs/dbraw/zinc/39/39/55/220393955.db2.gz CTYGZUDUVZRHBC-LBPRGKRZSA-N 0 0 331.376 1.110 10 0 EDAERN O=C([O-])C[N@H+](CC1CC1)C1CC(Nc2cc(=O)n3ccccc3n2)C1 ZINC000263542947 139347254 /nfs/dbraw/zinc/34/72/54/139347254.db2.gz DZMYCORWWVKPIN-UHFFFAOYSA-N 0 0 342.399 1.434 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccnn3C)C2)n1 ZINC000153978855 224184904 /nfs/dbraw/zinc/18/49/04/224184904.db2.gz OONSFCFJOONPLW-NSHDSACASA-N 0 0 333.417 1.530 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)CC2 ZINC000114874249 220771499 /nfs/dbraw/zinc/77/14/99/220771499.db2.gz XXCLWDFDIAOSRF-CYBMUJFWSA-N 0 0 338.408 1.414 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCn3ccnc3)C2)n1 ZINC000117022115 221022922 /nfs/dbraw/zinc/02/29/22/221022922.db2.gz ODYSPDYBZDFOFY-OAHLLOKOSA-N 0 0 331.424 1.213 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(OC)ccc2O)C[C@H]1CC ZINC000116977443 221018385 /nfs/dbraw/zinc/01/83/85/221018385.db2.gz BCBPYLXMUZIOTH-CQSZACIVSA-N 0 0 336.432 1.974 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2F)C[C@@H]1C ZINC000117368572 221057640 /nfs/dbraw/zinc/05/76/40/221057640.db2.gz JNHYLAUNVQBRMP-LBPRGKRZSA-N 0 0 348.415 1.696 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)C[C@@H]1C ZINC000117453220 221065438 /nfs/dbraw/zinc/06/54/38/221065438.db2.gz HNGCWDWPXLOMCK-AWEZNQCLSA-N 0 0 344.419 1.452 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2csc(CC)n2)C[C@H]1C ZINC000117278454 221042522 /nfs/dbraw/zinc/04/25/22/221042522.db2.gz PUPLQPSDAZTQLX-CYBMUJFWSA-N 0 0 325.478 1.817 10 0 EDAERN CCCc1noc(CCCC(=O)N2CCN(CCOC)[C@H](C)C2)n1 ZINC000117296361 221047313 /nfs/dbraw/zinc/04/73/13/221047313.db2.gz GBLURPHJNWSZHR-CQSZACIVSA-N 0 0 338.452 1.524 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1C ZINC000117296000 221048053 /nfs/dbraw/zinc/04/80/53/221048053.db2.gz KQHUOYIJJDTDHC-LLVKDONJSA-N 0 0 331.338 1.893 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1C ZINC000117521863 221073041 /nfs/dbraw/zinc/07/30/41/221073041.db2.gz BYTLWOQMNCMXHX-CYBMUJFWSA-N 0 0 337.395 1.333 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1C ZINC000117521860 221073340 /nfs/dbraw/zinc/07/33/40/221073340.db2.gz BYTLWOQMNCMXHX-ZDUSSCGKSA-N 0 0 337.395 1.333 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCN1CCOC ZINC000117526698 221074491 /nfs/dbraw/zinc/07/44/91/221074491.db2.gz UZIXSQVBKLZXJZ-OAHLLOKOSA-N 0 0 337.395 1.333 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccc(C(=O)N(C)C)cc2)c1 ZINC000118057174 221110031 /nfs/dbraw/zinc/11/00/31/221110031.db2.gz WUJACFCDPPMUOF-UHFFFAOYSA-N 0 0 329.404 1.393 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c1 ZINC000117817499 221092959 /nfs/dbraw/zinc/09/29/59/221092959.db2.gz RFKZYRCWLPVCAG-CQSZACIVSA-N 0 0 336.461 1.399 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000117927199 221100557 /nfs/dbraw/zinc/10/05/57/221100557.db2.gz VUNWGJUBJDGPKW-UHFFFAOYSA-N 0 0 331.401 1.356 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115734 221121401 /nfs/dbraw/zinc/12/14/01/221121401.db2.gz NYGUZRLPJBJODT-OAHLLOKOSA-N 0 0 333.432 1.197 10 0 EDAERN CCCCc1nnc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000118793592 221184121 /nfs/dbraw/zinc/18/41/21/221184121.db2.gz KOOGKZCYGRVCBD-SNVBAGLBSA-N 0 0 325.438 1.965 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc2c1OCCO2 ZINC000118669736 221167388 /nfs/dbraw/zinc/16/73/88/221167388.db2.gz ABHZTTHMFPWYIC-ZDUSSCGKSA-N 0 0 340.383 1.647 10 0 EDAERN COc1ccc(OC)c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000118674575 221167978 /nfs/dbraw/zinc/16/79/78/221167978.db2.gz BHYSCBWIKUSPFV-ZDUSSCGKSA-N 0 0 342.399 1.893 10 0 EDAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2sc(Cl)nc2C)C1 ZINC000118911137 221202044 /nfs/dbraw/zinc/20/20/44/221202044.db2.gz GBOGDGYGRYMCJI-QMMMGPOBSA-N 0 0 338.838 1.679 10 0 EDAERN CCOC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000119188252 221261608 /nfs/dbraw/zinc/26/16/08/221261608.db2.gz MLMWVNGIFBDUMK-BBRMVZONSA-N 0 0 336.363 1.367 10 0 EDAERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000119260048 221278642 /nfs/dbraw/zinc/27/86/42/221278642.db2.gz GICJPSYNUFZZIO-NEPJUHHUSA-N 0 0 337.424 1.706 10 0 EDAERN CC(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000119753328 221392715 /nfs/dbraw/zinc/39/27/15/221392715.db2.gz NTUFHSKVEIKDQW-NVXWUHKLSA-N 0 0 349.475 1.494 10 0 EDAERN COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCC(C)C)C2=O)cc1 ZINC000334161543 258015783 /nfs/dbraw/zinc/01/57/83/258015783.db2.gz DEJVNVOOGDPDAM-OAHLLOKOSA-N 0 0 347.415 1.320 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccccc1F ZINC000154395714 533283921 /nfs/dbraw/zinc/28/39/21/533283921.db2.gz WSRHLWWQZABGEG-AWEZNQCLSA-N 0 0 347.394 1.940 10 0 EDAERN CS(=O)(=O)N1CCC[C@H](COc2c(Cl)cccc2CO)C1 ZINC000165832319 533389975 /nfs/dbraw/zinc/38/99/75/533389975.db2.gz AXMIRRFOVZATEO-NSHDSACASA-N 0 0 333.837 1.883 10 0 EDAERN COC(=O)[C@H]1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC000170533864 533377465 /nfs/dbraw/zinc/37/74/65/533377465.db2.gz REZZGCNRKNHMBP-CABCVRRESA-N 0 0 332.400 1.512 10 0 EDAERN COC(=O)[C@H]1CN(c2ncc(Cl)cc2Br)CCO1 ZINC000160021088 533495657 /nfs/dbraw/zinc/49/56/57/533495657.db2.gz NDONJPTXTHMUPU-SECBINFHSA-N 0 0 335.585 1.876 10 0 EDAERN COC(=O)[C@H]1COCCN1C(=O)c1cc(N)cc(Br)c1 ZINC000163378715 533497903 /nfs/dbraw/zinc/49/79/03/533497903.db2.gz RAKDAQKGJWZWER-LLVKDONJSA-N 0 0 343.177 1.045 10 0 EDAERN COc1cccc(NC(=O)Cn2c(C)nc3[nH]c(C)cc3c2=O)c1 ZINC000169814947 533607770 /nfs/dbraw/zinc/60/77/70/533607770.db2.gz SSBWQEHNAUDSRW-UHFFFAOYSA-N 0 0 326.356 1.989 10 0 EDAERN C[C@H](CC(=O)NC[C@@H](O)CN1CCOCC1)c1ccc(F)cc1F ZINC000132919341 533655742 /nfs/dbraw/zinc/65/57/42/533655742.db2.gz HINZOHXUHNRVOS-TZMCWYRMSA-N 0 0 342.386 1.268 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CCO1 ZINC000040670846 132404621 /nfs/dbraw/zinc/40/46/21/132404621.db2.gz ATJRPOUSSDEJJK-ZDUSSCGKSA-N 0 0 338.429 1.613 10 0 EDAERN NC(=O)c1cncc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)n1 ZINC000067473456 132811729 /nfs/dbraw/zinc/81/17/29/132811729.db2.gz MCTLSQYQBQKNRU-GOSISDBHSA-N 0 0 344.390 1.536 10 0 EDAERN COc1cccc(CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000328753320 140673373 /nfs/dbraw/zinc/67/33/73/140673373.db2.gz NSDSBUQKKQWOHI-QGZVFWFLSA-N 0 0 346.387 1.514 10 0 EDAERN C[C@H](CC(=O)N1CCC(Cn2cccn2)CC1)N1CCCCC1=O ZINC000328765791 140673997 /nfs/dbraw/zinc/67/39/97/140673997.db2.gz PEZRGCFOMKVPIC-OAHLLOKOSA-N 0 0 332.448 1.913 10 0 EDAERN CN(C)c1noc([C@H]2CCCN(C(=O)C[C@H]3CCCCNC3=O)C2)n1 ZINC000329340236 140709979 /nfs/dbraw/zinc/70/99/79/140709979.db2.gz ODQRFBDDFZSETC-OLZOCXBDSA-N 0 0 349.435 1.988 10 0 EDAERN CC(C)[C@H]1N(C(=O)C2CCN(C(=O)N(C)C)CC2)C[C@]12CCCO2 ZINC000329432553 140721701 /nfs/dbraw/zinc/72/17/01/140721701.db2.gz HYHDTJPVBSVHIB-CRAIPNDOSA-N 0 0 337.464 1.796 10 0 EDAERN O=C([C@H]1CCCC(=O)N1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000333067254 141258456 /nfs/dbraw/zinc/25/84/56/141258456.db2.gz JOLUJLCRKYJRFI-WBVHZDCISA-N 0 0 341.411 1.630 10 0 EDAERN O=C(NC1CC1)[C@@H](O)C1CCN(Cc2nc3cccnc3s2)CC1 ZINC000333147407 141272107 /nfs/dbraw/zinc/27/21/07/141272107.db2.gz LKPQRSNHAYFISD-HNNXBMFYSA-N 0 0 346.456 1.543 10 0 EDAERN O=C(CN1c2ccccc2CCCC1=O)N1CC(=O)N(CC2CC2)C1 ZINC000333269855 141290428 /nfs/dbraw/zinc/29/04/28/141290428.db2.gz HMWUHSOQKMQCBX-UHFFFAOYSA-N 0 0 341.411 1.394 10 0 EDAERN O=S(=O)(c1ccc2c(c1)COC2)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333357235 141304983 /nfs/dbraw/zinc/30/49/83/141304983.db2.gz SSCQZTXQCGSOKC-NSHDSACASA-N 0 0 334.401 1.403 10 0 EDAERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@@H](C)[C@@H]2CCCCO2)cnn1C ZINC000333399145 141311658 /nfs/dbraw/zinc/31/16/58/141311658.db2.gz FCPYSIJGDXAQNJ-VCOSZWKGSA-N 0 0 336.436 1.815 10 0 EDAERN CCc1ncc(CNC(=O)C2(CC(=O)N3CCOCC3)CCCC2)o1 ZINC000333686557 141357769 /nfs/dbraw/zinc/35/77/69/141357769.db2.gz BFOCVARDONLUGP-UHFFFAOYSA-N 0 0 349.431 1.663 10 0 EDAERN CO[C@@H](C(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1)C1CC1 ZINC000334125053 141452341 /nfs/dbraw/zinc/45/23/41/141452341.db2.gz ONWAMCJRVWXNFQ-CZUORRHYSA-N 0 0 343.383 1.122 10 0 EDAERN C[C@@H]1C(=O)CC[C@@H](c2nc(CC(=O)N3CCOCC3)no2)C1(C)C ZINC000329652322 161617175 /nfs/dbraw/zinc/61/71/75/161617175.db2.gz DGTYYOVMVWYCHD-NEPJUHHUSA-N 0 0 335.404 1.580 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174009500 533678798 /nfs/dbraw/zinc/67/87/98/533678798.db2.gz QBCDVVITQMFUSW-HNNXBMFYSA-N 0 0 331.416 1.175 10 0 EDAERN COc1ccc(Cl)cc1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000049131191 287217521 /nfs/dbraw/zinc/21/75/21/287217521.db2.gz ZOHWIUFISWUUQT-GFCCVEGCSA-N 0 0 341.839 1.869 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000091540129 287332464 /nfs/dbraw/zinc/33/24/64/287332464.db2.gz MZEGFCXBJWYYFL-MRXNPFEDSA-N 0 0 338.473 1.759 10 0 EDAERN COCCn1ncc(NC[C@H](C)SC)c(Br)c1=O ZINC000158564599 225043749 /nfs/dbraw/zinc/04/37/49/225043749.db2.gz JVBRRKLIZHJQJR-QMMMGPOBSA-N 0 0 336.255 1.816 10 0 EDAERN C[C@H]1OCC[C@@H]1N(C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000159097346 225145844 /nfs/dbraw/zinc/14/58/44/225145844.db2.gz GHFFVDZZCOHGHW-ZJUUUORDSA-N 0 0 329.809 1.786 10 0 EDAERN COC(C)(C)CNS(=O)(=O)c1cc(Br)ccc1N ZINC000159891176 225296939 /nfs/dbraw/zinc/29/69/39/225296939.db2.gz QCXCZSGZBNCODM-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN C[C@H]1C[C@H](C)N(CCS(=O)(=O)c2cccc(C(N)=S)c2)C1 ZINC000164364839 226066531 /nfs/dbraw/zinc/06/65/31/226066531.db2.gz GYXCYJNHUSGUOR-RYUDHWBXSA-N 0 0 326.487 1.825 10 0 EDAERN C[C@H]1C[C@H](C)N(CCS(=O)(=O)c2ccc(C(N)=S)cc2)C1 ZINC000164364340 226067174 /nfs/dbraw/zinc/06/71/74/226067174.db2.gz KAPUNNNSZZPJNA-RYUDHWBXSA-N 0 0 326.487 1.825 10 0 EDAERN COCCNC(=O)CN(C)C(=O)c1cc(C)ccc1Br ZINC000164411097 226069800 /nfs/dbraw/zinc/06/98/00/226069800.db2.gz GPXTUGVJYIUDMG-UHFFFAOYSA-N 0 0 343.221 1.592 10 0 EDAERN [NH3+]C[C@@H]1c2ccccc2CCN1c1nc[n-]c(=O)c1Br ZINC000164578949 226085373 /nfs/dbraw/zinc/08/53/73/226085373.db2.gz HDQLXRJFMKQADW-LLVKDONJSA-N 0 0 335.205 1.595 10 0 EDAERN Cn1cc(CS(=O)(=O)c2cc(Br)ccc2N)cn1 ZINC000167140521 226180446 /nfs/dbraw/zinc/18/04/46/226180446.db2.gz GWNAYACJYLQCOM-UHFFFAOYSA-N 0 0 330.207 1.739 10 0 EDAERN CCn1ncnc1C[S@@](=O)c1cc(Br)ccc1N ZINC000167103231 226180641 /nfs/dbraw/zinc/18/06/41/226180641.db2.gz KWMPMWNBNLOYSF-SFHVURJKSA-N 0 0 329.223 1.951 10 0 EDAERN [NH3+][C@H]1CCCCC[C@H]1Oc1nc[n-]c(=O)c1I ZINC000165311869 226118925 /nfs/dbraw/zinc/11/89/25/226118925.db2.gz XGNIRNPSCXDGET-JGVFFNPUSA-N 0 0 349.172 1.413 10 0 EDAERN Cc1c(N)cnc(N(C)[C@H]2CCS(=O)(=O)C2)c1Br ZINC000165479478 226124921 /nfs/dbraw/zinc/12/49/21/226124921.db2.gz YATGVHVWOILTLV-QMMMGPOBSA-N 0 0 334.239 1.358 10 0 EDAERN Cc1c(N)cnc(N[C@@H]2CCCS(=O)(=O)C2)c1Br ZINC000165558758 226128015 /nfs/dbraw/zinc/12/80/15/226128015.db2.gz VULQHVFWOLABPG-MRVPVSSYSA-N 0 0 334.239 1.724 10 0 EDAERN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165874584 226140325 /nfs/dbraw/zinc/14/03/25/226140325.db2.gz SHXGJQBRLLTGEO-ZETCQYMHSA-N 0 0 338.216 1.214 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)NC[C@H]2CCC(=O)N2)c1Cl ZINC000165962667 226142374 /nfs/dbraw/zinc/14/23/74/226142374.db2.gz ROCQOBMXCGCFDA-ZCFIWIBFSA-N 0 0 338.216 1.133 10 0 EDAERN C[C@H](Cn1nnnc1-c1cc(N)ccc1Br)[S@](C)=O ZINC000166192562 226151138 /nfs/dbraw/zinc/15/11/38/226151138.db2.gz MWMWLBGVPQMBTA-QOLSBQFWSA-N 0 0 344.238 1.452 10 0 EDAERN [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)O1 ZINC000166677297 226165330 /nfs/dbraw/zinc/16/53/30/226165330.db2.gz NVXSXKNSBKTKGB-QWRGUYRKSA-N 0 0 343.177 1.592 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(Br)cc1N ZINC000167959918 226203562 /nfs/dbraw/zinc/20/35/62/226203562.db2.gz CCJCAZXQPAPTEO-WCBMZHEXSA-N 0 0 329.194 1.253 10 0 EDAERN OC[C@@H]1CN(C[C@@H]2Cc3cc(Br)ccc3O2)CCO1 ZINC000168596323 226219730 /nfs/dbraw/zinc/21/97/30/226219730.db2.gz ZAVLMOVBXHTWTQ-STQMWFEESA-N 0 0 328.206 1.446 10 0 EDAERN C[C@]1(C2CC2)C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168904831 226226449 /nfs/dbraw/zinc/22/64/49/226226449.db2.gz SQGSHCLKPAIGMU-AWEZNQCLSA-N 0 0 338.205 1.471 10 0 EDAERN O=S1(=O)CC[C@H]([C@H](CO)Cc2ccc(Br)cn2)C1 ZINC000168953109 226227790 /nfs/dbraw/zinc/22/77/90/226227790.db2.gz LWVOKUBAXMVUDO-UWVGGRQHSA-N 0 0 334.235 1.430 10 0 EDAERN COc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OCC(N)=O ZINC000126914400 287429689 /nfs/dbraw/zinc/42/96/89/287429689.db2.gz PMPINKZAZYKYQT-GHMZBOCLSA-N 0 0 342.823 1.822 10 0 EDAERN Cc1cccc2c1N(C(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1)CC2 ZINC000171398795 227060519 /nfs/dbraw/zinc/06/05/19/227060519.db2.gz WQDOPVJBLGBWDE-MRXNPFEDSA-N 0 0 338.411 1.981 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1c(C)nn(C)c1C ZINC000122371573 222072807 /nfs/dbraw/zinc/07/28/07/222072807.db2.gz HEPBAQJFXWZISZ-ZDUSSCGKSA-N 0 0 331.424 1.525 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)cn2)ncn1 ZINC000123257562 222243528 /nfs/dbraw/zinc/24/35/28/222243528.db2.gz FJJCRCBPKDEZNA-GFCCVEGCSA-N 0 0 345.382 1.843 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000123435298 222277340 /nfs/dbraw/zinc/27/73/40/222277340.db2.gz CXOZNJHVPWRZLR-KXBFYZLASA-N 0 0 344.411 1.981 10 0 EDAERN CN1CCO[C@H](CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)C1 ZINC000123567697 222298691 /nfs/dbraw/zinc/29/86/91/222298691.db2.gz GFXRHUMZALRKCD-CYBMUJFWSA-N 0 0 327.450 1.396 10 0 EDAERN Cc1ccccc1CCNC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171617032 227174130 /nfs/dbraw/zinc/17/41/30/227174130.db2.gz GXZRYMJVVAICOY-KRWDZBQOSA-N 0 0 327.432 1.582 10 0 EDAERN CCn1c(C)nnc1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000171833626 227306095 /nfs/dbraw/zinc/30/60/95/227306095.db2.gz OLZPJIUXOSYZBX-OAHLLOKOSA-N 0 0 331.395 1.983 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000188560412 272958225 /nfs/dbraw/zinc/95/82/25/272958225.db2.gz ZOCSZDVELZJGMT-UHFFFAOYSA-N 0 0 330.409 1.863 10 0 EDAERN Cn1c(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)nnc1C1CC1 ZINC000194672046 273004862 /nfs/dbraw/zinc/00/48/62/273004862.db2.gz IUAYZRJKEWSAHJ-UHFFFAOYSA-N 0 0 339.355 1.184 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c(C)c1 ZINC000177650270 272941526 /nfs/dbraw/zinc/94/15/26/272941526.db2.gz ZZRPXRTXFAZZJL-HNNXBMFYSA-N 0 0 342.399 1.366 10 0 EDAERN CC(C)(O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109125144 277316633 /nfs/dbraw/zinc/31/66/33/277316633.db2.gz TWOZREYWOFEXKS-KGLIPLIRSA-N 0 0 338.398 1.983 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000127570303 278144127 /nfs/dbraw/zinc/14/41/27/278144127.db2.gz KWPMGCZDZCGSGL-TZMCWYRMSA-N 0 0 333.363 1.379 10 0 EDAERN CC(C)(C)Oc1cccc(CCC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000133099823 278473734 /nfs/dbraw/zinc/47/37/34/278473734.db2.gz RTVZCPICRNTFHD-CQSZACIVSA-N 0 0 343.431 1.914 10 0 EDAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000248533407 279064452 /nfs/dbraw/zinc/06/44/52/279064452.db2.gz INUCBXOAPSQGBQ-IKGGRYGDSA-N 0 0 339.480 1.696 10 0 EDAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000329359905 279065574 /nfs/dbraw/zinc/06/55/74/279065574.db2.gz HZIMERZLHIGFMN-AWEZNQCLSA-N 0 0 327.388 1.792 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000083755018 279133526 /nfs/dbraw/zinc/13/35/26/279133526.db2.gz VAUANKXIGHRNKL-LBPRGKRZSA-N 0 0 335.314 1.455 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000083755046 279133535 /nfs/dbraw/zinc/13/35/35/279133535.db2.gz MRHIPAHRUVUSMY-LBPRGKRZSA-N 0 0 335.314 1.455 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@]12CCCO2 ZINC000334010884 280046627 /nfs/dbraw/zinc/04/66/27/280046627.db2.gz VNVGMRRHAGXSJS-IJEWVQPXSA-N 0 0 344.477 1.553 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[C@@]12CCCO2 ZINC000333596392 280049455 /nfs/dbraw/zinc/04/94/55/280049455.db2.gz LWFAPNWIAHXQSO-FZCLSBEQSA-N 0 0 338.448 1.924 10 0 EDAERN O=C(c1occc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000176186618 280246285 /nfs/dbraw/zinc/24/62/85/280246285.db2.gz AOBINQJNEXTNML-SNVBAGLBSA-N 0 0 329.194 1.589 10 0 EDAERN CC(C)n1ncc2cc([C@@H]3NC(=O)[C@H]4COCCN43)c(Cl)nc21 ZINC000093885336 280798084 /nfs/dbraw/zinc/79/80/84/280798084.db2.gz PFMDUFICADFQJK-BXUZGUMPSA-N 0 0 335.795 1.495 10 0 EDAERN CC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CCN1CCOC ZINC000246998123 281129836 /nfs/dbraw/zinc/12/98/36/281129836.db2.gz GNZLTJQBGQYFKI-WFVVYAPDSA-N 0 0 336.476 1.951 10 0 EDAERN CN1CCN(C(=O)[C@@]2(C)CCCNC2=O)C[C@H]1c1nc(C2CC2)no1 ZINC000329057710 290023641 /nfs/dbraw/zinc/02/36/41/290023641.db2.gz YFMFXHRPSPTNPR-SJCJKPOMSA-N 0 0 347.419 1.519 10 0 EDAERN Cn1cnn(CC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1=O ZINC000182479362 294487639 /nfs/dbraw/zinc/48/76/39/294487639.db2.gz BMAKZNLBNFYGRH-CQSZACIVSA-N 0 0 342.399 1.535 10 0 EDAERN NC(=O)[C@H]1COCCN1Cc1csc(CCc2ccccc2)n1 ZINC000092421481 295159810 /nfs/dbraw/zinc/15/98/10/295159810.db2.gz DQGUZLFDFRAMBJ-OAHLLOKOSA-N 0 0 331.441 1.614 10 0 EDAERN CS(=O)(=O)CCCCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000186310953 295493666 /nfs/dbraw/zinc/49/36/66/295493666.db2.gz FUZDJGSYYBWURD-GDBMZVCRSA-N 0 0 346.493 1.538 10 0 EDAERN O=C1NC(=S)NC1=Cc1ccccc1I ZINC000033399509 304658516 /nfs/dbraw/zinc/65/85/16/304658516.db2.gz JBLVZHZETVWHBK-YVMONPNESA-N 0 0 330.150 1.636 10 0 EDAERN Cn1cnnc1[C@H]1CCCN1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000333272375 303039777 /nfs/dbraw/zinc/03/97/77/303039777.db2.gz HWMVERPBGCMDBO-MNOVXSKESA-N 0 0 331.342 1.505 10 0 EDAERN CCOC(=O)CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000001476137 440846488 /nfs/dbraw/zinc/84/64/88/440846488.db2.gz WCHWTWZTEWELRE-UHFFFAOYSA-N 0 0 348.451 1.827 10 0 EDAERN CC(C)c1ccc([C@H](C)NC(=O)NCCNS(C)(=O)=O)cc1 ZINC000045652114 441012249 /nfs/dbraw/zinc/01/22/49/441012249.db2.gz CJVXVVGRGKZDSB-LBPRGKRZSA-N 0 0 327.450 1.719 10 0 EDAERN C[C@H](CNC(=O)N(C)CCOc1ccccc1F)N1CCOCC1 ZINC000046263886 441096637 /nfs/dbraw/zinc/09/66/37/441096637.db2.gz KSXSHUREUOEKMX-CQSZACIVSA-N 0 0 339.411 1.567 10 0 EDAERN Cc1noc(CO[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000097942591 441146830 /nfs/dbraw/zinc/14/68/30/441146830.db2.gz NBSDQYGOMVNXCN-ZDUSSCGKSA-N 0 0 337.401 1.748 10 0 EDAERN Nc1nc(=O)c(CCCCC[C@H](O)c2nc3ccccc3o2)c(N)[nH]1 ZINC000013858966 441168211 /nfs/dbraw/zinc/16/82/11/441168211.db2.gz SOLJLFVWXNCKMV-LBPRGKRZSA-N 0 0 343.387 1.912 10 0 EDAERN O=C(NCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1F ZINC000105173414 441239566 /nfs/dbraw/zinc/23/95/66/441239566.db2.gz BEPSNULTYNESEO-AWEZNQCLSA-N 0 0 348.422 1.435 10 0 EDAERN C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104798893 441211203 /nfs/dbraw/zinc/21/12/03/441211203.db2.gz OVQCSDGABNIBJS-YPMHNXCESA-N 0 0 327.375 1.998 10 0 EDAERN CN1CCO[C@H](CNC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000105283142 441248360 /nfs/dbraw/zinc/24/83/60/441248360.db2.gz QEBWXNOSNCOCBQ-MRXNPFEDSA-N 0 0 333.388 1.915 10 0 EDAERN CCCCNC(=O)[C@@H](C)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865253 441295858 /nfs/dbraw/zinc/29/58/58/441295858.db2.gz WACDLSIHGMVETC-ZIAGYGMSSA-N 0 0 337.468 1.615 10 0 EDAERN CCOCCN1CCN(CC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000105834723 441287472 /nfs/dbraw/zinc/28/74/72/441287472.db2.gz CDIJHSGXPGCAHL-INIZCTEOSA-N 0 0 325.497 1.726 10 0 EDAERN C[C@H]1CN(CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H](C)O1 ZINC000061803356 441291119 /nfs/dbraw/zinc/29/11/19/441291119.db2.gz NABCBLYNPGPUEN-GJZGRUSLSA-N 0 0 335.423 1.584 10 0 EDAERN O=C(CCNC(=O)c1cccs1)N1CCC[C@H](n2cncn2)C1 ZINC000105853544 441291841 /nfs/dbraw/zinc/29/18/41/441291841.db2.gz KOSURKWDNWIQLT-LBPRGKRZSA-N 0 0 333.417 1.323 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)no1 ZINC000105849278 441291885 /nfs/dbraw/zinc/29/18/85/441291885.db2.gz KCFFXURWYIQONU-GFCCVEGCSA-N 0 0 331.376 1.636 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CN(C)C(=O)c1cccs1 ZINC000081584097 441293829 /nfs/dbraw/zinc/29/38/29/441293829.db2.gz KVCBOGAMLUWYOB-LLVKDONJSA-N 0 0 333.417 1.371 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2cc(-c3ccccc3)on2)C1 ZINC000105229686 441243799 /nfs/dbraw/zinc/24/37/99/441243799.db2.gz HVJNWIAZYAVFRA-HNNXBMFYSA-N 0 0 330.388 1.471 10 0 EDAERN COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@H](n3cncn3)C2)c1C ZINC000106219450 441327888 /nfs/dbraw/zinc/32/78/88/441327888.db2.gz OKVNUABTVQAUJM-ZDUSSCGKSA-N 0 0 345.403 1.529 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Cn2c(C)cc3ccccc32)CC1 ZINC000106396396 441338574 /nfs/dbraw/zinc/33/85/74/441338574.db2.gz QKIKBSQZOXVETG-QGZVFWFLSA-N 0 0 329.444 1.865 10 0 EDAERN COc1ccccc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105888939 441307855 /nfs/dbraw/zinc/30/78/55/441307855.db2.gz MUTSUBFBNQBSDY-CQSZACIVSA-N 0 0 330.388 1.231 10 0 EDAERN CCCNC(=O)CN(C)C(=O)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000105896959 441311937 /nfs/dbraw/zinc/31/19/37/441311937.db2.gz IIXRMGYDWVBWFT-HNNXBMFYSA-N 0 0 349.479 1.067 10 0 EDAERN CCOc1cccc(N2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)n1 ZINC000106534515 441352467 /nfs/dbraw/zinc/35/24/67/441352467.db2.gz BLSBQOLHGJHJCB-CABCVRRESA-N 0 0 348.447 1.879 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083754930 441374920 /nfs/dbraw/zinc/37/49/20/441374920.db2.gz AWBHAQBUMZREGM-GFCCVEGCSA-N 0 0 343.387 1.493 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC000107256724 441405982 /nfs/dbraw/zinc/40/59/82/441405982.db2.gz MRMVANQZFAVROY-OAHLLOKOSA-N 0 0 330.388 1.265 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)CSc2ncccn2)ccc1Cl ZINC000084602084 441409449 /nfs/dbraw/zinc/40/94/49/441409449.db2.gz ZHRHWGNFAKOKSF-UHFFFAOYSA-N 0 0 343.817 1.752 10 0 EDAERN CCCNC(=O)CNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000028002100 441421391 /nfs/dbraw/zinc/42/13/91/441421391.db2.gz ZEOOHOYBACLRFT-XJKSGUPXSA-N 0 0 333.432 1.474 10 0 EDAERN CCCOc1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cn1 ZINC000107731470 441427876 /nfs/dbraw/zinc/42/78/76/441427876.db2.gz TVXZHMBGWWBJFH-CQSZACIVSA-N 0 0 336.436 1.390 10 0 EDAERN CN1CCO[C@H](CNc2cnn(Cc3ccccc3)c(=O)c2Cl)C1 ZINC000108945661 441481696 /nfs/dbraw/zinc/48/16/96/441481696.db2.gz ITVZZSZCJLCOBP-CQSZACIVSA-N 0 0 348.834 1.688 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN(C)C(=O)OC(C)(C)C ZINC000088196699 441494852 /nfs/dbraw/zinc/49/48/52/441494852.db2.gz WOHKHJYPGGXZHD-NSHDSACASA-N 0 0 337.424 1.659 10 0 EDAERN COc1ccc(OCCCC[NH2+]CCSS(=O)(=O)[O-])cc1 ZINC000031570261 441529699 /nfs/dbraw/zinc/52/96/99/441529699.db2.gz ITIHKDXKSDQGGZ-UHFFFAOYSA-N 0 0 335.447 1.980 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000075530534 441530358 /nfs/dbraw/zinc/53/03/58/441530358.db2.gz LGKTWPIDMXRIMV-QUBYGPBYSA-N 0 0 333.207 1.235 10 0 EDAERN CCCN1CCn2cc(C(=O)NCc3ccc4c(c3)OCO4)nc2C1 ZINC000075524322 441530723 /nfs/dbraw/zinc/53/07/23/441530723.db2.gz DGVBXFIFEVJUBD-UHFFFAOYSA-N 0 0 342.399 1.767 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C(N)=O)ccc1C ZINC000088376664 441506128 /nfs/dbraw/zinc/50/61/28/441506128.db2.gz YXCBJFIBZZUPCZ-GFCCVEGCSA-N 0 0 342.403 1.904 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CC[C@@H]3CC[C@H](C)O3)C2=O)n(C)n1 ZINC000075220530 441510295 /nfs/dbraw/zinc/51/02/95/441510295.db2.gz RYBZMDRAOQRGOP-KKUMJFAQSA-N 0 0 348.447 1.688 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC1(O)CCOCC1 ZINC000075229624 441511687 /nfs/dbraw/zinc/51/16/87/441511687.db2.gz DARWPXNQPMKRFL-HOCLYGCPSA-N 0 0 348.443 1.489 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000113159802 441583651 /nfs/dbraw/zinc/58/36/51/441583651.db2.gz AUSPDQGXQYVLTH-OAHLLOKOSA-N 0 0 333.363 1.470 10 0 EDAERN CNC(=O)c1cccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000113932653 441628754 /nfs/dbraw/zinc/62/87/54/441628754.db2.gz DMDFQDBTOQUOIZ-QGZVFWFLSA-N 0 0 328.416 1.452 10 0 EDAERN CCC(=O)Nc1nnc(S(=O)(=O)N(CC)Cc2ccco2)s1 ZINC000041085503 441631300 /nfs/dbraw/zinc/63/13/00/441631300.db2.gz FQIPXVYTGUPLOT-UHFFFAOYSA-N 0 0 344.418 1.690 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1cn[nH]c1)NC(=O)NCC(F)(F)F ZINC000114202447 441642326 /nfs/dbraw/zinc/64/23/26/441642326.db2.gz NRSVGKVVNZAZPY-SNVBAGLBSA-N 0 0 333.314 1.325 10 0 EDAERN O=C(Cc1ccc(Br)s1)N[C@@H]1CCc2ncnn2C1 ZINC000114357023 441647929 /nfs/dbraw/zinc/64/79/29/441647929.db2.gz RTWVCMBCLAIFKL-MRVPVSSYSA-N 0 0 341.234 1.776 10 0 EDAERN Nc1cccnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1CC(=O)[O-] ZINC000114408116 441654213 /nfs/dbraw/zinc/65/42/13/441654213.db2.gz KTNAUCNDLZLOCB-HNNXBMFYSA-N 0 0 326.400 1.829 10 0 EDAERN CCC[C@@H](NC[C@H]1CCCN1c1cc(NC)ncn1)C(=O)OCC ZINC000114802789 441685599 /nfs/dbraw/zinc/68/55/99/441685599.db2.gz AYNVWMZKBLEBJX-ZIAGYGMSSA-N 0 0 335.452 1.809 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)CC2 ZINC000114864577 441692929 /nfs/dbraw/zinc/69/29/29/441692929.db2.gz RSYYQRYIDFKILK-ZDUSSCGKSA-N 0 0 339.399 1.470 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)CC2 ZINC000114874824 441694253 /nfs/dbraw/zinc/69/42/53/441694253.db2.gz PCRMMDRFNNHCJI-SECBINFHSA-N 0 0 341.824 1.182 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)CC[C@H]3CC[C@H](C)O3)CC2)no1 ZINC000173287840 441703568 /nfs/dbraw/zinc/70/35/68/441703568.db2.gz MEDHYSJQZBAWAF-DZGCQCFKSA-N 0 0 336.436 1.760 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCN1C(=O)CCC1=O ZINC000114599817 441669929 /nfs/dbraw/zinc/66/99/29/441669929.db2.gz SFYMAIPCSZMPQH-CYBMUJFWSA-N 0 0 347.419 1.032 10 0 EDAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121575570 441734540 /nfs/dbraw/zinc/73/45/40/441734540.db2.gz OVVBDBCYOCGFOK-KZULUSFZSA-N 0 0 328.368 1.337 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccccn2)ncn1 ZINC000173411477 441739758 /nfs/dbraw/zinc/73/97/58/441739758.db2.gz YOWGCSPLFNDJEA-OAHLLOKOSA-N 0 0 340.431 1.631 10 0 EDAERN C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1nnc2n1CCCC2 ZINC000121693567 441760226 /nfs/dbraw/zinc/76/02/26/441760226.db2.gz ZCDRILUSTGLSLX-QMMMGPOBSA-N 0 0 344.828 1.041 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)NCCNC(=O)C3CC3)C2)n1 ZINC000173478487 441764483 /nfs/dbraw/zinc/76/44/83/441764483.db2.gz VFCCZQNAHPUUQN-ZDUSSCGKSA-N 0 0 336.461 1.867 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NC(C3CC3)C3CC3)CC2)no1 ZINC000173657305 441816511 /nfs/dbraw/zinc/81/65/11/441816511.db2.gz JVMUMGYENJDIJG-UHFFFAOYSA-N 0 0 333.436 1.784 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3ccc(C)cc3C)CCO2)[nH]1 ZINC000173665437 441818722 /nfs/dbraw/zinc/81/87/22/441818722.db2.gz NVEBIYGWWBIPQD-RDJZCZTQSA-N 0 0 346.431 1.543 10 0 EDAERN CCOC(=O)C(C)=NNc1ccc(CCS(=O)(=O)NC)cc1 ZINC000115724251 441772725 /nfs/dbraw/zinc/77/27/25/441772725.db2.gz VYDOSUVDFZCYQY-LFIBNONCSA-N 0 0 327.406 1.129 10 0 EDAERN COc1cccc(C(C)(C)CNC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000137720726 441777333 /nfs/dbraw/zinc/77/73/33/441777333.db2.gz GBINNAKWROXPNM-HNNXBMFYSA-N 0 0 349.475 1.993 10 0 EDAERN CCSc1ccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cn1 ZINC000173539126 441783752 /nfs/dbraw/zinc/78/37/52/441783752.db2.gz CCCQMGRHNXYSFM-LBPRGKRZSA-N 0 0 333.417 1.834 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)CC2 ZINC000159261373 441798590 /nfs/dbraw/zinc/79/85/90/441798590.db2.gz SLVXDDJBUUYJBE-OCCSQVGLSA-N 0 0 344.415 1.231 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccccc2-c2nc(C)no2)CC1 ZINC000173585642 441799872 /nfs/dbraw/zinc/79/98/72/441799872.db2.gz UMNUABLISIOTOL-CQSZACIVSA-N 0 0 344.415 1.574 10 0 EDAERN Nc1c(C(=O)CN2CCC[C@@H]2c2ccco2)c(=O)[nH]c(=O)n1C1CC1 ZINC000116288290 441809273 /nfs/dbraw/zinc/80/92/73/441809273.db2.gz BBSBOLWKUZXIGO-LLVKDONJSA-N 0 0 344.371 1.067 10 0 EDAERN c1ccc(CCc2noc(CN3CC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000173907156 441860969 /nfs/dbraw/zinc/86/09/69/441860969.db2.gz KKGRWVSJXWYSMX-QGZVFWFLSA-N 0 0 342.443 1.761 10 0 EDAERN COc1ccc(O)c(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000121963708 441822244 /nfs/dbraw/zinc/82/22/44/441822244.db2.gz WHIOEAHLGDZJHA-CYBMUJFWSA-N 0 0 342.399 1.932 10 0 EDAERN NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)cc1F ZINC000116578427 441831812 /nfs/dbraw/zinc/83/18/12/441831812.db2.gz PCYRPCXKYNSREY-CYBMUJFWSA-N 0 0 345.330 1.820 10 0 EDAERN COCCN1CCN(C(=O)c2ccccc2-c2nc(C)no2)C[C@H]1C ZINC000173806032 441843212 /nfs/dbraw/zinc/84/32/12/441843212.db2.gz NXLVDYVWMVIEAP-CYBMUJFWSA-N 0 0 344.415 1.838 10 0 EDAERN Cc1ccc(OCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C)c1 ZINC000173860319 441851852 /nfs/dbraw/zinc/85/18/52/441851852.db2.gz ZNKOWOCEQDIBEY-IRXDYDNUSA-N 0 0 332.444 1.861 10 0 EDAERN COc1ccc(Br)c2c1CC[C@]1(C2)NC(=O)NC1=O ZINC000147432653 441908191 /nfs/dbraw/zinc/90/81/91/441908191.db2.gz BDBRLXRQJQWSOC-CYBMUJFWSA-N 0 0 325.162 1.525 10 0 EDAERN CCO[C@H](CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)C(C)C ZINC000174334079 441913729 /nfs/dbraw/zinc/91/37/29/441913729.db2.gz NLJCOLTYSUQVNF-HZPDHXFCSA-N 0 0 338.452 1.745 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000124440018 441926750 /nfs/dbraw/zinc/92/67/50/441926750.db2.gz ZLNIMMOVIAPFCV-XJKSGUPXSA-N 0 0 346.431 1.654 10 0 EDAERN C[C@@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C[C@@H](C)O1 ZINC000173995406 441875586 /nfs/dbraw/zinc/87/55/86/441875586.db2.gz WVEPAKSKPLYMAK-ZIAGYGMSSA-N 0 0 348.447 1.581 10 0 EDAERN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093884997 441898266 /nfs/dbraw/zinc/89/82/66/441898266.db2.gz HXQBGKYPJHOZEH-WFASDCNBSA-N 0 0 332.791 1.663 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000174508387 441931979 /nfs/dbraw/zinc/93/19/79/441931979.db2.gz IHHRCPPPJCZGCJ-JSGCOSHPSA-N 0 0 346.431 1.712 10 0 EDAERN CCOCCN1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)CC1 ZINC000174734558 441962261 /nfs/dbraw/zinc/96/22/61/441962261.db2.gz MROUEDCHLROGAM-INIZCTEOSA-N 0 0 333.480 1.871 10 0 EDAERN C[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)Oc1cccc(F)c1 ZINC000175010015 441993993 /nfs/dbraw/zinc/99/39/93/441993993.db2.gz IDPIJPNSDKHISO-UONOGXRCSA-N 0 0 339.411 1.613 10 0 EDAERN C[C@@H](NC(=O)N(CCO)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000079013755 442008708 /nfs/dbraw/zinc/00/87/08/442008708.db2.gz WLSRCBSKDXMHOG-LLVKDONJSA-N 0 0 326.418 1.317 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C)CC1 ZINC000125560206 442030301 /nfs/dbraw/zinc/03/03/01/442030301.db2.gz WAOYKFRAMSSPIU-CHWSQXEVSA-N 0 0 349.456 1.762 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)O1 ZINC000151312094 442040760 /nfs/dbraw/zinc/04/07/60/442040760.db2.gz VSLNUROMUVKSTQ-DOTOQJQBSA-N 0 0 345.443 1.015 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCC(=O)OC(C)C ZINC000126248124 442092704 /nfs/dbraw/zinc/09/27/04/442092704.db2.gz LOAFXBIRYGJRDI-LBPRGKRZSA-N 0 0 337.424 1.706 10 0 EDAERN COC(=O)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000125834835 442052591 /nfs/dbraw/zinc/05/25/91/442052591.db2.gz VPIKJTAWPUVZIU-RIEGTJTDSA-N 0 0 336.363 1.270 10 0 EDAERN Cc1onc(-c2ccccn2)c1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000162033533 442057918 /nfs/dbraw/zinc/05/79/18/442057918.db2.gz UQVNVBXWTWOJFP-AWEZNQCLSA-N 0 0 342.399 1.592 10 0 EDAERN CC(C)Cn1ccnc1CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000175468737 442068446 /nfs/dbraw/zinc/06/84/46/442068446.db2.gz ABFWBBPTWQPHDA-OAHLLOKOSA-N 0 0 346.435 1.346 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCc1ncn(C)n1)C(C)C ZINC000120515594 442086480 /nfs/dbraw/zinc/08/64/80/442086480.db2.gz BRRBHEBLZRBJOA-HNNXBMFYSA-N 0 0 329.404 1.194 10 0 EDAERN Cc1cc(C[C@H](C)NC(=O)[C@H](C)NC(=O)Nc2ccccc2)[nH]n1 ZINC000162380398 442087874 /nfs/dbraw/zinc/08/78/74/442087874.db2.gz KTCXFQUTZCXKRI-AAEUAGOBSA-N 0 0 329.404 1.976 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000175752604 442116335 /nfs/dbraw/zinc/11/63/35/442116335.db2.gz LPMUVLFLSMCYSX-GFCCVEGCSA-N 0 0 345.399 1.585 10 0 EDAERN Cc1noc(C)c1CCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175768732 442118251 /nfs/dbraw/zinc/11/82/51/442118251.db2.gz LOGQMWKIRGMZNU-LRDDRELGSA-N 0 0 336.436 1.196 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000162744534 442118680 /nfs/dbraw/zinc/11/86/80/442118680.db2.gz OLDBJYGIQISHNB-LLVKDONJSA-N 0 0 344.289 1.808 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(Br)nc1)[C@H]1CCCO1 ZINC000151814391 442124975 /nfs/dbraw/zinc/12/49/75/442124975.db2.gz BHCKEGOZKROUCI-WCBMZHEXSA-N 0 0 342.193 1.466 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2ccc(O)c(F)c2)C[C@H]1N1CCOCC1 ZINC000175804407 442125698 /nfs/dbraw/zinc/12/56/98/442125698.db2.gz QCVHAADEGRGXCE-IUODEOHRSA-N 0 0 337.395 1.393 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)co1 ZINC000151832498 442127217 /nfs/dbraw/zinc/12/72/17/442127217.db2.gz JFHVEPLWYKHVJF-GFCCVEGCSA-N 0 0 338.389 1.278 10 0 EDAERN CCc1cnc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)s1 ZINC000175826935 442130275 /nfs/dbraw/zinc/13/02/75/442130275.db2.gz RUBICWYDJWRZOU-OCCSQVGLSA-N 0 0 338.477 1.568 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175878169 442139014 /nfs/dbraw/zinc/13/90/14/442139014.db2.gz LCPVGGWLTKJNOF-MRXNPFEDSA-N 0 0 344.463 1.959 10 0 EDAERN CNS(=O)(=O)c1ccc2c(c1)N(C[C@@H](O)COC(C)(C)C)CC2 ZINC000126339098 442102034 /nfs/dbraw/zinc/10/20/34/442102034.db2.gz XQGMRJPGZQVFRB-CYBMUJFWSA-N 0 0 342.461 1.133 10 0 EDAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000126402126 442108769 /nfs/dbraw/zinc/10/87/69/442108769.db2.gz RGTZUFGACQTUPW-LBPRGKRZSA-N 0 0 333.432 1.366 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000120633520 442108773 /nfs/dbraw/zinc/10/87/73/442108773.db2.gz WPZBYFACKRBPPY-SECBINFHSA-N 0 0 336.417 1.175 10 0 EDAERN CCCN(C(=O)c1ccccc1NC(=O)[C@@H](C)NC(N)=O)C(C)C ZINC000127453657 442204039 /nfs/dbraw/zinc/20/40/39/442204039.db2.gz LQWDKYAVVUPTOS-GFCCVEGCSA-N 0 0 334.420 1.943 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CCOc3cccc(C(N)=O)c3)C2)cn1 ZINC000176091766 442175005 /nfs/dbraw/zinc/17/50/05/442175005.db2.gz WVIUZZOGTLKMMY-AWEZNQCLSA-N 0 0 342.399 1.304 10 0 EDAERN Cc1cccc2c1N(C(=O)C(=O)N[C@H]1CCCn3ncnc31)CC2 ZINC000176097620 442175229 /nfs/dbraw/zinc/17/52/29/442175229.db2.gz WWLBGRONINGJKO-ZDUSSCGKSA-N 0 0 325.372 1.127 10 0 EDAERN Cc1c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cnn1CC(C)C ZINC000164093460 442189138 /nfs/dbraw/zinc/18/91/38/442189138.db2.gz MOYUDDSIEZQGOR-RHSMWYFYSA-N 0 0 334.464 1.640 10 0 EDAERN CCOc1cccnc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000176238269 442198375 /nfs/dbraw/zinc/19/83/75/442198375.db2.gz LBMSTNNVWUCAQC-LBPRGKRZSA-N 0 0 329.404 1.940 10 0 EDAERN CCc1noc(CC)c1CC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000121303972 442200667 /nfs/dbraw/zinc/20/06/67/442200667.db2.gz QUXPDSNPSZOEAE-CQSZACIVSA-N 0 0 333.392 1.369 10 0 EDAERN CCC1(CC)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C[C@H]1OC ZINC000151996802 442151699 /nfs/dbraw/zinc/15/16/99/442151699.db2.gz HMDZUZDXSIWOPO-BZUAXINKSA-N 0 0 347.459 1.976 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000120949578 442156543 /nfs/dbraw/zinc/15/65/43/442156543.db2.gz VLDRZBXAEFCQFY-UONOGXRCSA-N 0 0 325.405 1.729 10 0 EDAERN O=C(CC[C@H]1CCOC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176008828 442160228 /nfs/dbraw/zinc/16/02/28/442160228.db2.gz OALNYTWOEWHDNE-FUHWJXTLSA-N 0 0 332.444 1.681 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(=O)[nH]c(C(C)C)c2)n1 ZINC000120979455 442160295 /nfs/dbraw/zinc/16/02/95/442160295.db2.gz ARMKQZFDPPBXJR-ZDUSSCGKSA-N 0 0 332.360 1.816 10 0 EDAERN CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000176014424 442161216 /nfs/dbraw/zinc/16/12/16/442161216.db2.gz RWWMWSLGHSNGBT-CQSZACIVSA-N 0 0 343.387 1.575 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000152073150 442161646 /nfs/dbraw/zinc/16/16/46/442161646.db2.gz DFEVOTPWVUBKBR-UONOGXRCSA-N 0 0 329.393 1.653 10 0 EDAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127015582 442162513 /nfs/dbraw/zinc/16/25/13/442162513.db2.gz OPCJSTYRWODBJC-GFCCVEGCSA-N 0 0 341.371 1.161 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(F)c(F)cc1F ZINC000176748796 442253316 /nfs/dbraw/zinc/25/33/16/442253316.db2.gz DIBDYFCLCOXDOB-SNVBAGLBSA-N 0 0 332.307 1.509 10 0 EDAERN CCCCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CN(C)CCO2)C1(C)C ZINC000176332755 442210943 /nfs/dbraw/zinc/21/09/43/442210943.db2.gz XGUHLNKJMNWNEO-BZUAXINKSA-N 0 0 341.496 1.942 10 0 EDAERN Cc1cnn(CCNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1 ZINC000176342691 442212509 /nfs/dbraw/zinc/21/25/09/442212509.db2.gz TWYCGAUSVZVTOP-UHFFFAOYSA-N 0 0 345.794 1.315 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCCn1ccnc1)CC2 ZINC000152444283 442213671 /nfs/dbraw/zinc/21/36/71/442213671.db2.gz FOWJIQJQQDYOFR-ZDUSSCGKSA-N 0 0 331.424 1.084 10 0 EDAERN C[C@H](NC(=O)N(CCO)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000121405450 442213678 /nfs/dbraw/zinc/21/36/78/442213678.db2.gz ZMSLRXSRLDSQBP-AWEZNQCLSA-N 0 0 343.431 1.880 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1cccc(F)c1 ZINC000176438464 442221968 /nfs/dbraw/zinc/22/19/68/442221968.db2.gz CGDXAEWHKHEMJT-IUODEOHRSA-N 0 0 325.384 1.223 10 0 EDAERN O=C(NCCOCc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000176441544 442222687 /nfs/dbraw/zinc/22/26/87/442222687.db2.gz PUJFXZMRLJJMFC-KRWDZBQOSA-N 0 0 344.415 1.510 10 0 EDAERN COC(=O)CCCCCCCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000152533148 442223556 /nfs/dbraw/zinc/22/35/56/442223556.db2.gz JXNGVWDKSUMGPJ-ZDUSSCGKSA-N 0 0 337.424 1.926 10 0 EDAERN COc1ccnc2[nH]c([C@H](O)CN3C(=O)c4ccccc4C3=O)cc21 ZINC000168545712 442224942 /nfs/dbraw/zinc/22/49/42/442224942.db2.gz JLIDXOMKNOMYBB-CQSZACIVSA-N 0 0 337.335 1.901 10 0 EDAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127779803 442225284 /nfs/dbraw/zinc/22/52/84/442225284.db2.gz VNQVBXTUZFYRBA-SCLBCKFNSA-N 0 0 330.384 1.785 10 0 EDAERN C[C@@H](C[C@@H]1C[C@@H](C)OC1=O)C(=O)NC(=S)Nc1nncs1 ZINC000169693894 442226752 /nfs/dbraw/zinc/22/67/52/442226752.db2.gz PNPOILZDLHVBFL-XLPZGREQSA-N 0 0 328.419 1.329 10 0 EDAERN C[C@@H](C[C@H]1C[C@@H](C)OC1=O)C(=O)NC(=S)Nc1nncs1 ZINC000169693895 442226762 /nfs/dbraw/zinc/22/67/62/442226762.db2.gz PNPOILZDLHVBFL-RNJXMRFFSA-N 0 0 328.419 1.329 10 0 EDAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCn2cc(C)cn2)C1 ZINC000176508830 442229882 /nfs/dbraw/zinc/22/98/82/442229882.db2.gz KADLEXRIMUDCBO-VVYDWRJNSA-N 0 0 326.466 1.571 10 0 EDAERN COC[C@H](C)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000176549160 442233187 /nfs/dbraw/zinc/23/31/87/442233187.db2.gz PBDYQCKSJSFZEG-GXTWGEPZSA-N 0 0 326.462 1.829 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cnn1C ZINC000176557180 442233638 /nfs/dbraw/zinc/23/36/38/442233638.db2.gz FKMOIAJOIQXGQI-NXEZZACHSA-N 0 0 332.326 1.904 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CCC(=O)Nc1cccc(F)c1 ZINC000176565712 442234952 /nfs/dbraw/zinc/23/49/52/442234952.db2.gz KMVAHQQTSVUIFA-QHCPKHFHSA-N 0 0 339.396 1.671 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000128145185 442248340 /nfs/dbraw/zinc/24/83/40/442248340.db2.gz BXRFODLQALUMER-ZDUSSCGKSA-N 0 0 328.420 1.851 10 0 EDAERN CC(C)n1ccnc1C[S@@](=O)CCN1C(=O)NC(C)(C)C1=O ZINC000176829056 442262159 /nfs/dbraw/zinc/26/21/59/442262159.db2.gz RFVPLVHTBWOFMR-QFIPXVFZSA-N 0 0 326.422 1.043 10 0 EDAERN C[C@@H](NC(=O)NC[C@H](O)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000153224364 442269137 /nfs/dbraw/zinc/26/91/37/442269137.db2.gz COKXVDFEZYOMPF-UKRRQHHQSA-N 0 0 343.431 1.578 10 0 EDAERN CCc1nnc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1C ZINC000170872300 442281004 /nfs/dbraw/zinc/28/10/04/442281004.db2.gz SHOKFWMPSBBUQZ-NSHDSACASA-N 0 0 337.449 1.218 10 0 EDAERN COc1cccc([C@H](O)CNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177308034 442326947 /nfs/dbraw/zinc/32/69/47/442326947.db2.gz HVRBRTMDBHBTQI-UONOGXRCSA-N 0 0 331.376 1.154 10 0 EDAERN COc1cccc(O[C@@H](C)CNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177358913 442331753 /nfs/dbraw/zinc/33/17/53/442331753.db2.gz CPAZXDNIGLZYRP-WFASDCNBSA-N 0 0 345.403 1.888 10 0 EDAERN COCc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177386845 442334753 /nfs/dbraw/zinc/33/47/53/442334753.db2.gz FCOYYTKOFRUYQQ-MRXNPFEDSA-N 0 0 331.416 1.468 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177388379 442335614 /nfs/dbraw/zinc/33/56/14/442335614.db2.gz UPIANMBSFCXAAE-ZDUSSCGKSA-N 0 0 332.404 1.034 10 0 EDAERN CN(C)c1nc2sc(C(=O)NC[C@@H]3CN(C)CCO3)cc2s1 ZINC000171286484 442338546 /nfs/dbraw/zinc/33/85/46/442338546.db2.gz AFBAVOYCCROYMY-SECBINFHSA-N 0 0 340.474 1.484 10 0 EDAERN C[C@@H](O)CN(C)C(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000177431646 442340466 /nfs/dbraw/zinc/34/04/66/442340466.db2.gz CIWUVJWIQSMOIK-IAQYHMDHSA-N 0 0 347.440 1.522 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000171073899 442306572 /nfs/dbraw/zinc/30/65/72/442306572.db2.gz XMCNTYKXQXUTSF-FZMZJTMJSA-N 0 0 340.420 1.751 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000177174585 442309499 /nfs/dbraw/zinc/30/94/99/442309499.db2.gz AXWPURBJOGNMQI-INIZCTEOSA-N 0 0 347.463 1.576 10 0 EDAERN C[C@@H](C(=O)NCc1cccs1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177241469 442318576 /nfs/dbraw/zinc/31/85/76/442318576.db2.gz XYPFQIMSFMOUAS-YCPHGPKFSA-N 0 0 337.489 1.405 10 0 EDAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000177241388 442318901 /nfs/dbraw/zinc/31/89/01/442318901.db2.gz KZKAZVJMWRNMEM-HNNXBMFYSA-N 0 0 338.473 1.100 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1Cl ZINC000177624907 442364345 /nfs/dbraw/zinc/36/43/45/442364345.db2.gz KTAZZZSIMLLHNE-JTQLQIEISA-N 0 0 349.778 1.010 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177652077 442367315 /nfs/dbraw/zinc/36/73/15/442367315.db2.gz LWKHDQHSJPEWOT-AWEZNQCLSA-N 0 0 328.372 1.058 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2)C1 ZINC000177662889 442368236 /nfs/dbraw/zinc/36/82/36/442368236.db2.gz GITPOZFLNNHQIJ-CQSZACIVSA-N 0 0 327.388 1.643 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCSc1ccccn1)CC2 ZINC000154994243 442369264 /nfs/dbraw/zinc/36/92/64/442369264.db2.gz SVQUTBLURPDFSM-GFCCVEGCSA-N 0 0 331.445 1.849 10 0 EDAERN CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000177688113 442371329 /nfs/dbraw/zinc/37/13/29/442371329.db2.gz DBVWILJCHKSKGH-OLZOCXBDSA-N 0 0 337.424 1.470 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCC3(C2)OCCO3)[C@@H]1c1ccccc1 ZINC000171804053 442382426 /nfs/dbraw/zinc/38/24/26/442382426.db2.gz LCHUVVSOKCFGNN-RDJZCZTQSA-N 0 0 344.411 1.572 10 0 EDAERN O=C(COc1ccc(F)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883624 442387546 /nfs/dbraw/zinc/38/75/46/442387546.db2.gz MOWVZBVBNFNDMO-ZDUSSCGKSA-N 0 0 337.326 1.468 10 0 EDAERN C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000177963804 442397980 /nfs/dbraw/zinc/39/79/80/442397980.db2.gz UEDLYCJEXDBANL-KGLIPLIRSA-N 0 0 342.461 1.714 10 0 EDAERN COc1ccc(/C=C/C(=O)N[C@H]2CCCn3ncnc32)cc1OC ZINC000177583521 442359890 /nfs/dbraw/zinc/35/98/90/442359890.db2.gz DGPOWBCYJGECJN-CFNZNRNTSA-N 0 0 328.372 1.960 10 0 EDAERN COCCCOc1cccc(C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177619407 442363461 /nfs/dbraw/zinc/36/34/61/442363461.db2.gz WSDYEKFYIFLBAO-HNNXBMFYSA-N 0 0 330.388 1.958 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccccc2C)C[C@H]1CC ZINC000177618498 442363838 /nfs/dbraw/zinc/36/38/38/442363838.db2.gz TVDKQOLFXULCCQ-MRXNPFEDSA-N 0 0 347.459 1.893 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155707527 442421420 /nfs/dbraw/zinc/42/14/20/442421420.db2.gz QEYOBKWPNUPNTK-ZFWWWQNUSA-N 0 0 346.431 1.652 10 0 EDAERN CCOC(=O)Cc1csc(NC(=O)NCCn2cc(C)cn2)n1 ZINC000172216821 442424918 /nfs/dbraw/zinc/42/49/18/442424918.db2.gz NCELSHRKVCZDFP-UHFFFAOYSA-N 0 0 337.405 1.575 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000178372453 442428809 /nfs/dbraw/zinc/42/88/09/442428809.db2.gz ULNRCANDGKVYIT-GFCCVEGCSA-N 0 0 327.388 1.739 10 0 EDAERN CC(=O)N1CCCc2ccc(S(=O)(=O)NCC(=O)C(C)C)cc21 ZINC000133667539 442428514 /nfs/dbraw/zinc/42/85/14/442428514.db2.gz JDGQJAYESCZYRV-UHFFFAOYSA-N 0 0 338.429 1.489 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1CC(=O)OC ZINC000178376437 442428600 /nfs/dbraw/zinc/42/86/00/442428600.db2.gz VQTQJLSKHGPUIK-RYUDHWBXSA-N 0 0 335.408 1.413 10 0 EDAERN CC[C@H](COC)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172395215 442454496 /nfs/dbraw/zinc/45/44/96/442454496.db2.gz SJYZAEXNVBXPHR-DGCLKSJQSA-N 0 0 328.434 1.875 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)C(C)C ZINC000178686355 442456058 /nfs/dbraw/zinc/45/60/58/442456058.db2.gz OUUDRIMSZZTKAU-CYBMUJFWSA-N 0 0 336.417 1.618 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000186221123 442490262 /nfs/dbraw/zinc/49/02/62/442490262.db2.gz ZJNXKEISIOUIPW-HNNXBMFYSA-N 0 0 331.420 1.939 10 0 EDAERN O=S1(=O)CC[C@@H](N(C[C@H](O)COCc2ccccc2)C2CC2)C1 ZINC000178856622 442505291 /nfs/dbraw/zinc/50/52/91/442505291.db2.gz RCEOQJNNBNRZKJ-SJORKVTESA-N 0 0 339.457 1.216 10 0 EDAERN CCCS(=O)(=O)c1ccccc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000191763171 442506956 /nfs/dbraw/zinc/50/69/56/442506956.db2.gz YMRNRHLFCOTDOT-GFCCVEGCSA-N 0 0 338.429 1.221 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)NC[C@@H](C)COC)CC2)n1 ZINC000172489297 442471890 /nfs/dbraw/zinc/47/18/90/442471890.db2.gz XFQWVTKMVSYUDV-OLZOCXBDSA-N 0 0 339.440 1.303 10 0 EDAERN CCOCCC1(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)CCC1 ZINC000156374619 442473507 /nfs/dbraw/zinc/47/35/07/442473507.db2.gz IDUDZJMKOGELHS-MRXNPFEDSA-N 0 0 339.480 1.699 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCC1 ZINC000186183377 442479745 /nfs/dbraw/zinc/47/97/45/442479745.db2.gz FKHPBNBHESNEJY-UHFFFAOYSA-N 0 0 328.821 1.629 10 0 EDAERN O=C(NC1CN(S(=O)(=O)C2=Cc3ccccc3CC2)C1)C1CCC1 ZINC000186180045 442479883 /nfs/dbraw/zinc/47/98/83/442479883.db2.gz ZZDBCHLPAGROPE-UHFFFAOYSA-N 0 0 346.452 1.904 10 0 EDAERN CCc1noc2ncc(C(=O)N3CC[C@@H](N4CCOCC4)C3)cc12 ZINC000172750075 442534103 /nfs/dbraw/zinc/53/41/03/442534103.db2.gz COKUFSQWZCJUFV-CYBMUJFWSA-N 0 0 330.388 1.332 10 0 EDAERN Cc1nc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 ZINC000134917852 442537126 /nfs/dbraw/zinc/53/71/26/442537126.db2.gz YDCVFSIBEPNPCQ-WFASDCNBSA-N 0 0 332.335 1.353 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000191994950 442558618 /nfs/dbraw/zinc/55/86/18/442558618.db2.gz FXUYKBQQKIFSGX-OAHLLOKOSA-N 0 0 339.480 1.504 10 0 EDAERN C[C@H](NC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)C(=O)N(C)C ZINC000178970311 442542295 /nfs/dbraw/zinc/54/22/95/442542295.db2.gz OHWNVWSUTMJIBF-NURSFMCSSA-N 0 0 341.358 1.259 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCC(=O)NC1CCCC1 ZINC000157151182 442555017 /nfs/dbraw/zinc/55/50/17/442555017.db2.gz RCFOSKGGZLJLHN-ZDUSSCGKSA-N 0 0 349.435 1.215 10 0 EDAERN COCCn1cc(NC(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000172641435 442512932 /nfs/dbraw/zinc/51/29/32/442512932.db2.gz UCHBKHZSDDMEAV-UHFFFAOYSA-N 0 0 332.408 1.670 10 0 EDAERN COc1ccnc(N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191800656 442513384 /nfs/dbraw/zinc/51/33/84/442513384.db2.gz JDTGHFNRNNMUDZ-UHFFFAOYSA-N 0 0 336.436 1.728 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)cn1 ZINC000191805063 442514167 /nfs/dbraw/zinc/51/41/67/442514167.db2.gz AMZUNTXAZJMRMI-INIZCTEOSA-N 0 0 331.420 1.478 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccncn2)ncn1 ZINC000191829715 442519763 /nfs/dbraw/zinc/51/97/63/442519763.db2.gz HFFZSKKPGOEMRK-AWEZNQCLSA-N 0 0 341.419 1.026 10 0 EDAERN O=C(CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)Nc1nncs1 ZINC000178903836 442520963 /nfs/dbraw/zinc/52/09/63/442520963.db2.gz SVERTOVNDWSLKP-CABZTGNLSA-N 0 0 340.355 1.563 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN[C@@H]1CCCn2nc(CC)nc21 ZINC000186383244 442523249 /nfs/dbraw/zinc/52/32/49/442523249.db2.gz JQTLAYONALDSGA-GFCCVEGCSA-N 0 0 332.408 1.375 10 0 EDAERN CC(C)Oc1ccccc1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749910 442533017 /nfs/dbraw/zinc/53/30/17/442533017.db2.gz GARWQHZHTYAVKF-QGZVFWFLSA-N 0 0 332.444 1.949 10 0 EDAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180269366 442569731 /nfs/dbraw/zinc/56/97/31/442569731.db2.gz IVYHITQPURSCQO-WCBMZHEXSA-N 0 0 347.198 1.473 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000180271383 442571090 /nfs/dbraw/zinc/57/10/90/442571090.db2.gz REFUONXCJKFKNF-MRXNPFEDSA-N 0 0 346.333 1.958 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccccc1-n1cnnn1 ZINC000172952758 442571713 /nfs/dbraw/zinc/57/17/13/442571713.db2.gz WQTQHVXZRXLGCI-AWEZNQCLSA-N 0 0 337.383 1.997 10 0 EDAERN CN(C)C(=O)CCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179102623 442572160 /nfs/dbraw/zinc/57/21/60/442572160.db2.gz RSOXQLGHLRYSLN-YOEHRIQHSA-N 0 0 349.406 1.330 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000135341249 442583744 /nfs/dbraw/zinc/58/37/44/442583744.db2.gz JDRGCOYGEBYFBO-RISCZKNCSA-N 0 0 345.802 1.142 10 0 EDAERN CC(C)CCC[C@@H](C)NC(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186675628 442588685 /nfs/dbraw/zinc/58/86/85/442588685.db2.gz QBFNMVYACWJLDC-OAHLLOKOSA-N 0 0 341.496 1.798 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000135396848 442591253 /nfs/dbraw/zinc/59/12/53/442591253.db2.gz LLBIVIGSVZACCJ-ZDUSSCGKSA-N 0 0 328.420 1.847 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(N(C)C)cc3F)CCO2)[nH]1 ZINC000157580866 442594472 /nfs/dbraw/zinc/59/44/72/442594472.db2.gz GLWZLJSFLSRUGS-CQSZACIVSA-N 0 0 333.367 1.532 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@@H](Cn3cccn3)C2)c(F)c1 ZINC000135449263 442598090 /nfs/dbraw/zinc/59/80/90/442598090.db2.gz VLADYDILLOUZEW-OAHLLOKOSA-N 0 0 333.363 1.710 10 0 EDAERN Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c(=O)n(C)c1=O ZINC000173087595 442601557 /nfs/dbraw/zinc/60/15/57/442601557.db2.gz XIYUNDCGKCHAKO-NXEZZACHSA-N 0 0 335.310 1.104 10 0 EDAERN CCCCOCCNC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000192374450 442641589 /nfs/dbraw/zinc/64/15/89/442641589.db2.gz JBLWIBXTDACMPU-QWHCGFSZSA-N 0 0 326.397 1.666 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000187016016 442645758 /nfs/dbraw/zinc/64/57/58/442645758.db2.gz FNPZHXXJUWIFFE-CHWSQXEVSA-N 0 0 346.349 1.496 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CCCCCNC(C)=O)C12CCOCC2 ZINC000187099894 442653450 /nfs/dbraw/zinc/65/34/50/442653450.db2.gz KEAYBXDNWTVTSH-CVEARBPZSA-N 0 0 340.464 1.773 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(-n3cccn3)n2)C[C@@H]1C ZINC000135550791 442609833 /nfs/dbraw/zinc/60/98/33/442609833.db2.gz SKFDLPPJNVCWMC-AWEZNQCLSA-N 0 0 329.404 1.060 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC[C@H]1O ZINC000186782714 442610518 /nfs/dbraw/zinc/61/05/18/442610518.db2.gz SAWIDPBSMCEDGX-BNGXUDDSSA-N 0 0 334.391 1.574 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2F)C1 ZINC000180533243 442617104 /nfs/dbraw/zinc/61/71/04/442617104.db2.gz IJCRYKZHWSEJPR-CYBMUJFWSA-N 0 0 349.406 1.980 10 0 EDAERN COC(=O)c1cncc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000180571433 442624862 /nfs/dbraw/zinc/62/48/62/442624862.db2.gz HCJJGUHNHGYNIS-AWEZNQCLSA-N 0 0 329.360 1.971 10 0 EDAERN COC(=O)c1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)nc1 ZINC000187651871 442684694 /nfs/dbraw/zinc/68/46/94/442684694.db2.gz YEMOJXRNTGSXEE-KBPBESRZSA-N 0 0 346.408 1.778 10 0 EDAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)CCO1 ZINC000187777082 442691938 /nfs/dbraw/zinc/69/19/38/442691938.db2.gz SBRSNQUGCWZFCM-ZBFHGGJFSA-N 0 0 337.464 1.890 10 0 EDAERN COC(=O)c1occc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192978959 442702894 /nfs/dbraw/zinc/70/28/94/442702894.db2.gz DDXIRVTYOHGXJK-SNVBAGLBSA-N 0 0 338.385 1.564 10 0 EDAERN CCC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000136410911 442662649 /nfs/dbraw/zinc/66/26/49/442662649.db2.gz AUPKCZNMZVHXPM-CZUORRHYSA-N 0 0 332.400 1.885 10 0 EDAERN O=S(=O)(CCN1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1 ZINC000192577687 442664906 /nfs/dbraw/zinc/66/49/06/442664906.db2.gz DPNHJBSKSGGPFN-AWEZNQCLSA-N 0 0 338.408 1.528 10 0 EDAERN COC1(CNC(=O)N2CCCN(Cc3noc(C)n3)CC2)CCC1 ZINC000181809863 442717928 /nfs/dbraw/zinc/71/79/28/442717928.db2.gz AGJULZASHMPEFQ-UHFFFAOYSA-N 0 0 337.424 1.164 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000188199248 442723602 /nfs/dbraw/zinc/72/36/02/442723602.db2.gz FKGXNOXYYRWCLV-CYBMUJFWSA-N 0 0 332.809 1.592 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCCC[C@H]2CO)c(O)c1 ZINC000181969347 442723753 /nfs/dbraw/zinc/72/37/53/442723753.db2.gz YNGBUBIRJBRIPA-ZFWWWQNUSA-N 0 0 334.416 1.488 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1OC(F)(F)F ZINC000188496069 442756293 /nfs/dbraw/zinc/75/62/93/442756293.db2.gz OXEJNIYDZVNLGE-VXGBXAGGSA-N 0 0 346.305 1.183 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C[C@H]1C ZINC000193276700 442728711 /nfs/dbraw/zinc/72/87/11/442728711.db2.gz MDBADFLNGLPRGV-OAHLLOKOSA-N 0 0 348.447 1.206 10 0 EDAERN Cc1cc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cnc1Cl ZINC000182022959 442729010 /nfs/dbraw/zinc/72/90/10/442729010.db2.gz HZKZWWCHXWPBIZ-NWDGAFQWSA-N 0 0 326.828 1.962 10 0 EDAERN Cc1nc2sc3c(c2c(N2CCOC[C@H]2C(N)=O)n1)CCCCC3 ZINC000182031597 442730135 /nfs/dbraw/zinc/73/01/35/442730135.db2.gz KJJYZKQNTCYJQN-LBPRGKRZSA-N 0 0 346.456 1.959 10 0 EDAERN COCc1ccccc1CNC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000193290925 442730279 /nfs/dbraw/zinc/73/02/79/442730279.db2.gz YCJPDQFURYTZAA-HOTGVXAUSA-N 0 0 342.395 1.400 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccncc2)ncn1 ZINC000182061077 442732236 /nfs/dbraw/zinc/73/22/36/442732236.db2.gz YLMYHAZSXOLRPA-AWEZNQCLSA-N 0 0 326.404 1.241 10 0 EDAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000193322615 442733472 /nfs/dbraw/zinc/73/34/72/442733472.db2.gz HPBZIRFTUYJJRF-UHFFFAOYSA-N 0 0 347.806 1.809 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(c2nc(CC)ns2)CC1 ZINC000193382992 442738174 /nfs/dbraw/zinc/73/81/74/442738174.db2.gz ZKMSFTMTRQTZOS-CYBMUJFWSA-N 0 0 328.482 1.400 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000193388912 442738331 /nfs/dbraw/zinc/73/83/31/442738331.db2.gz ZUWGFWQXPDVIQA-ZDUSSCGKSA-N 0 0 328.376 1.092 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)cn1 ZINC000188345929 442742143 /nfs/dbraw/zinc/74/21/43/442742143.db2.gz LRRWEYIIOQNYIG-QGZVFWFLSA-N 0 0 344.415 1.934 10 0 EDAERN CCCCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000193444979 442743069 /nfs/dbraw/zinc/74/30/69/442743069.db2.gz BDIZPAPABSTWBY-TUVASFSCSA-N 0 0 326.437 1.068 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 ZINC000188367656 442743572 /nfs/dbraw/zinc/74/35/72/442743572.db2.gz MZKMXYWHKTZHEV-QMMMGPOBSA-N 0 0 331.825 1.619 10 0 EDAERN COCCN1CCN(C(=O)c2c(F)ccc(OC)c2OC)C[C@H]1C ZINC000188470389 442753876 /nfs/dbraw/zinc/75/38/76/442753876.db2.gz QXDBGDIKEZZGIX-GFCCVEGCSA-N 0 0 340.395 1.636 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000181732657 442713179 /nfs/dbraw/zinc/71/31/79/442713179.db2.gz SQSSWFORKJXOEF-UONOGXRCSA-N 0 0 348.451 1.026 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)C1 ZINC000188554844 442762994 /nfs/dbraw/zinc/76/29/94/442762994.db2.gz PSBCODUVGOHOIP-UHFFFAOYSA-N 0 0 330.793 1.052 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000188559034 442763423 /nfs/dbraw/zinc/76/34/23/442763423.db2.gz LLFIZZOZLUNITB-UHFFFAOYSA-N 0 0 339.236 1.020 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(O)cc3O)CCO2)n1 ZINC000182418853 442765556 /nfs/dbraw/zinc/76/55/56/442765556.db2.gz GVNKCWJHRXHQAL-AWEZNQCLSA-N 0 0 331.372 1.452 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3noc(COC)n3)CC2)n1 ZINC000182445032 442767349 /nfs/dbraw/zinc/76/73/49/442767349.db2.gz USTXEOZMOKQSAH-UHFFFAOYSA-N 0 0 348.407 1.035 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1ncon1)C(C)C ZINC000182539618 442783395 /nfs/dbraw/zinc/78/33/95/442783395.db2.gz FYEYXXJZSOJENA-SMDDNHRTSA-N 0 0 346.387 1.710 10 0 EDAERN O=S(=O)(CC[C@@H]1CCCO1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188876946 442833465 /nfs/dbraw/zinc/83/34/65/442833465.db2.gz KMBLVHYJYGSNRJ-ILXRZTDVSA-N 0 0 345.486 1.655 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000188774598 442810171 /nfs/dbraw/zinc/81/01/71/442810171.db2.gz SIZPTLPGXXGTDN-HIFRSBDPSA-N 0 0 340.445 1.037 10 0 EDAERN Cc1ccc(N2C[C@@H](C(=O)N3CCCNC(=O)[C@H]3C)CC2=O)cc1 ZINC000188881843 442834184 /nfs/dbraw/zinc/83/41/84/442834184.db2.gz RFVZQWQQTMPSHS-KGLIPLIRSA-N 0 0 329.400 1.085 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000188811290 442819460 /nfs/dbraw/zinc/81/94/60/442819460.db2.gz CFMKGRUHGPNMND-JSGCOSHPSA-N 0 0 348.369 1.974 10 0 EDAERN C[C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@@H]1N1CCOCC1 ZINC000193978803 442823823 /nfs/dbraw/zinc/82/38/23/442823823.db2.gz YOZUZPKWGJUBAX-YPMHNXCESA-N 0 0 332.429 1.484 10 0 EDAERN CC(C)(C)OCc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000188973840 442852087 /nfs/dbraw/zinc/85/20/87/442852087.db2.gz KJIGISBKKQGBMP-CQSZACIVSA-N 0 0 336.436 1.979 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CCC(=O)N1CCc2ccccc2C1 ZINC000188931155 442844530 /nfs/dbraw/zinc/84/45/30/442844530.db2.gz GEJMFJRFBOQUCB-KRWDZBQOSA-N 0 0 330.428 1.989 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 ZINC000188942292 442846462 /nfs/dbraw/zinc/84/64/62/442846462.db2.gz FDUBTBDMFHETRG-AWEZNQCLSA-N 0 0 326.400 1.840 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000188958052 442849234 /nfs/dbraw/zinc/84/92/34/442849234.db2.gz WFVNCYJTVXDVJL-RDJZCZTQSA-N 0 0 339.399 1.771 10 0 EDAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000194461362 442899910 /nfs/dbraw/zinc/89/99/10/442899910.db2.gz KBFYBPSDNLUPHM-SNVBAGLBSA-N 0 0 349.403 1.653 10 0 EDAERN O=C(NC1CN(C(=O)C2(c3ccccc3)CCOCC2)C1)C1CCC1 ZINC000189228032 442900774 /nfs/dbraw/zinc/90/07/74/442900774.db2.gz QNFMQKXVSWDPBS-UHFFFAOYSA-N 0 0 342.439 1.862 10 0 EDAERN COc1ccc([C@H](NC(=O)CN2CCCNC(=O)[C@H]2C)C(C)C)cc1 ZINC000189312792 442918230 /nfs/dbraw/zinc/91/82/30/442918230.db2.gz QBAGJXVVLSJLLN-RDTXWAMCSA-N 0 0 347.459 1.719 10 0 EDAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000183304291 442919827 /nfs/dbraw/zinc/91/98/27/442919827.db2.gz FGZWGRYCNKPYTP-KGLIPLIRSA-N 0 0 334.424 1.450 10 0 EDAERN O=C(NC1CN(C(=O)c2c(F)cccc2Br)C1)C1CC1 ZINC000189423740 442949459 /nfs/dbraw/zinc/94/94/59/442949459.db2.gz WQAREFXFYDNLJO-UHFFFAOYSA-N 0 0 341.180 1.939 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCOc2cc(C)cc(C)c2)CC1 ZINC000184951324 318540108 /nfs/dbraw/zinc/54/01/08/318540108.db2.gz CZMSNKUOVWJYIB-QGZVFWFLSA-N 0 0 349.475 1.780 10 0 EDAERN CSc1nc(C)c(CCC(=O)NC[C@H]2CN(C)CCO2)c(C)n1 ZINC000194725317 442943270 /nfs/dbraw/zinc/94/32/70/442943270.db2.gz PBVMNCXDELMZQI-ZDUSSCGKSA-N 0 0 338.477 1.195 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000183598617 442944678 /nfs/dbraw/zinc/94/46/78/442944678.db2.gz IDXWXDDSPNARST-ZIAGYGMSSA-N 0 0 327.469 1.695 10 0 EDAERN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1CNC(=O)C1 ZINC000194803956 442955486 /nfs/dbraw/zinc/95/54/86/442955486.db2.gz HKEJTHMDUPNCHL-ZCFIWIBFSA-N 0 0 336.241 1.964 10 0 EDAERN C[C@@H](CC(=O)N1CC(NC(=O)C2CC2)C1)NC(=O)C1CCCCC1 ZINC000189445926 442956214 /nfs/dbraw/zinc/95/62/14/442956214.db2.gz WMHQHXFGGAVAQT-LBPRGKRZSA-N 0 0 335.448 1.199 10 0 EDAERN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CNC(=O)C3)c2)n1 ZINC000194808141 442956432 /nfs/dbraw/zinc/95/64/32/442956432.db2.gz BQACAGYNZIAVBE-LLVKDONJSA-N 0 0 326.356 1.074 10 0 EDAERN CC[C@H]1C[C@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)CCO1 ZINC000183756111 442960399 /nfs/dbraw/zinc/96/03/99/442960399.db2.gz IYEJQCVMTQIWPV-CABCVRRESA-N 0 0 336.436 1.618 10 0 EDAERN Cc1nc(CN2CCN(Cc3nnc(C4CC4)n3C)CC2)cs1 ZINC000195057429 442980031 /nfs/dbraw/zinc/98/00/31/442980031.db2.gz DYEWEFQRIIXHTI-UHFFFAOYSA-N 0 0 332.477 1.775 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[C@H]2CCO)C1 ZINC000249953132 443009618 /nfs/dbraw/zinc/00/96/18/443009618.db2.gz IWWRILBRDUQTCH-IHRRRGAJSA-N 0 0 326.437 1.911 10 0 EDAERN COc1ccc(CC(=O)NCc2ccnc(N3CCCC3)n2)cc1 ZINC000224198293 443097035 /nfs/dbraw/zinc/09/70/35/443097035.db2.gz FBFKSAGMJNCATM-UHFFFAOYSA-N 0 0 326.400 1.944 10 0 EDAERN O=C(NCc1nccc(N2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000224168868 443097079 /nfs/dbraw/zinc/09/70/79/443097079.db2.gz MBNJHVCEVYMCCI-UHFFFAOYSA-N 0 0 332.791 1.897 10 0 EDAERN Cc1cc(C)c(S(=O)(=O)NCc2nccc(N(C)C)n2)c(C)c1 ZINC000224195372 443097154 /nfs/dbraw/zinc/09/71/54/443097154.db2.gz RPIWLDFUSAHQEM-UHFFFAOYSA-N 0 0 334.445 1.946 10 0 EDAERN C[C@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000224254169 443097676 /nfs/dbraw/zinc/09/76/76/443097676.db2.gz GUBRUZFFAYZBAE-AWEZNQCLSA-N 0 0 341.415 1.634 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC000253587044 443074034 /nfs/dbraw/zinc/07/40/34/443074034.db2.gz LONXYBTYIKZXLS-STQMWFEESA-N 0 0 329.400 1.468 10 0 EDAERN Cc1nn2c(=O)c(=Cc3ccccc3C(F)(F)F)sc2nc1=O ZINC000254590844 443076438 /nfs/dbraw/zinc/07/64/38/443076438.db2.gz YLYAXKMSYYSCKI-UHFFFAOYSA-N 0 0 339.298 1.386 10 0 EDAERN C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)C[C@@H]1N1CCOCC1 ZINC000255569078 443103092 /nfs/dbraw/zinc/10/30/92/443103092.db2.gz YRCXOYQHRDRWNF-QLGVYERUSA-N 0 0 335.835 1.927 10 0 EDAERN CC(=O)NC1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)C1 ZINC000190457152 443112788 /nfs/dbraw/zinc/11/27/88/443112788.db2.gz IDPFUNMDYZKYMM-UHFFFAOYSA-N 0 0 333.388 1.834 10 0 EDAERN COC(=O)c1cn(CC(=O)Nc2ccccc2Br)nn1 ZINC000229597060 443130160 /nfs/dbraw/zinc/13/01/60/443130160.db2.gz LCJNQPUBRGDROR-UHFFFAOYSA-N 0 0 339.149 1.466 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)NCCc2ccccc2C)n1 ZINC000185076817 443131063 /nfs/dbraw/zinc/13/10/63/443131063.db2.gz SAULLQOKBAIYCF-INIZCTEOSA-N 0 0 344.415 1.419 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCOc2cccc(Cl)c2)C1 ZINC000185299854 443178987 /nfs/dbraw/zinc/17/89/87/443178987.db2.gz CRQQTZVBVLKNNB-UHFFFAOYSA-N 0 0 326.780 1.082 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2ccc(C)cc2C)C1 ZINC000185399413 443193638 /nfs/dbraw/zinc/19/36/38/443193638.db2.gz YNSZBWQTHDOAFV-CQSZACIVSA-N 0 0 333.432 1.391 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000185214064 443162188 /nfs/dbraw/zinc/16/21/88/443162188.db2.gz FCJPMRYREUBQDV-UHFFFAOYSA-N 0 0 332.278 1.172 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000185716994 443244631 /nfs/dbraw/zinc/24/46/31/443244631.db2.gz IFWLRORGYAWPPE-MLGOLLRUSA-N 0 0 331.416 1.781 10 0 EDAERN O=C(C(=O)N1CCC[C@H](n2cncn2)C1)N1CCc2c1cccc2F ZINC000185710054 443242504 /nfs/dbraw/zinc/24/25/04/443242504.db2.gz ANLKSKHOKZHIMP-LBPRGKRZSA-N 0 0 343.362 1.170 10 0 EDAERN O=S(=O)(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000242100084 443210551 /nfs/dbraw/zinc/21/05/51/443210551.db2.gz WEGFOKPECDYXCG-DLBZAZTESA-N 0 0 338.473 1.749 10 0 EDAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000185802456 443259717 /nfs/dbraw/zinc/25/97/17/443259717.db2.gz PMQZOEJXGDHVOU-CYBMUJFWSA-N 0 0 337.387 1.616 10 0 EDAERN CC(=O)NC1CN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)C1 ZINC000191481223 443300498 /nfs/dbraw/zinc/30/04/98/443300498.db2.gz XHBGQDMIBIAHGD-SNVBAGLBSA-N 0 0 332.429 1.704 10 0 EDAERN CC(=O)NC1CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000191499350 443304095 /nfs/dbraw/zinc/30/40/95/443304095.db2.gz XXOXEPSCWUCGJJ-UHFFFAOYSA-N 0 0 342.399 1.391 10 0 EDAERN Cc1cnc2cc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)ccn12 ZINC000564466747 321133791 /nfs/dbraw/zinc/13/37/91/321133791.db2.gz VBIBRZZLZRGFML-XJKSGUPXSA-N 0 0 328.416 1.435 10 0 EDAERN C[S@](=O)c1ccc(CN2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000328652382 444414892 /nfs/dbraw/zinc/41/48/92/444414892.db2.gz WLFYJDWLVZQFHH-MYODQAERSA-N 0 0 334.401 1.243 10 0 EDAERN NC(=O)c1noc([C@@H]2CCCN2c2nccc(C(F)(F)F)n2)n1 ZINC000328615952 444395119 /nfs/dbraw/zinc/39/51/19/444395119.db2.gz BFLZRYOSCXXBJC-LURJTMIESA-N 0 0 328.254 1.319 10 0 EDAERN COc1cc(I)cc(S(N)(=O)=O)c1F ZINC000575706383 447882010 /nfs/dbraw/zinc/88/20/10/447882010.db2.gz ZBPXFWUNPKIRTJ-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)NCC[C@@H]2CCCCO2)CCO1 ZINC000583614987 448441208 /nfs/dbraw/zinc/44/12/08/448441208.db2.gz MPURRNIITZPINE-UONOGXRCSA-N 0 0 337.424 1.340 10 0 EDAERN O=S(=O)(c1cccc(F)c1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583616359 448442465 /nfs/dbraw/zinc/44/24/65/448442465.db2.gz IXVCHBOBIYSUQX-KFWWJZLASA-N 0 0 329.393 1.376 10 0 EDAERN Cc1c(F)cccc1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000578126400 448467271 /nfs/dbraw/zinc/46/72/71/448467271.db2.gz XIVBLRPTCKPIGX-CYBMUJFWSA-N 0 0 339.374 2.503 10 0 EDAERN CCOC[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1c1cnn(C)c1 ZINC000585655695 448737465 /nfs/dbraw/zinc/73/74/65/448737465.db2.gz JCYLHHXTJJBJMN-ZFWWWQNUSA-N 0 0 330.388 1.413 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)NCc2ncoc2C)[C@H]1c1cnn(C)c1C ZINC000613109746 450026229 /nfs/dbraw/zinc/02/62/29/450026229.db2.gz GQFCUNBCSDLMTH-LRDDRELGSA-N 0 0 345.403 1.251 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2ccccc2CCO)C1 ZINC000616601475 450454628 /nfs/dbraw/zinc/45/46/28/450454628.db2.gz CWGIAPVAEJTPQI-GOSISDBHSA-N 0 0 347.436 1.984 10 0 EDAERN CCOC(=O)c1ccc([C@@H]2CCCCCN2S(N)(=O)=O)cc1 ZINC000616622484 450455250 /nfs/dbraw/zinc/45/52/50/450455250.db2.gz DIZVXYHEKQXDIK-AWEZNQCLSA-N 0 0 326.418 1.984 10 0 EDAERN NC(=O)c1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000616613377 450455501 /nfs/dbraw/zinc/45/55/01/450455501.db2.gz OXUBFBVZFFMBSC-CYBMUJFWSA-N 0 0 330.409 1.964 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@H](Nc2ccccn2)CC1 ZINC000616666648 450458954 /nfs/dbraw/zinc/45/89/54/450458954.db2.gz OZWVNECHUMBPAX-INIZCTEOSA-N 0 0 333.413 1.931 10 0 EDAERN CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1 ZINC000616768975 450479939 /nfs/dbraw/zinc/47/99/39/450479939.db2.gz UBQWEHKMUHTFCT-PMPSAXMXSA-N 0 0 342.399 1.582 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)nn1C1CCCCC1 ZINC000616774509 450482207 /nfs/dbraw/zinc/48/22/07/450482207.db2.gz VVLOUVZIWLFKGC-PVAVHDDUSA-N 0 0 343.431 1.998 10 0 EDAERN O=C(COc1ccc(Br)cc1F)NC1CC(CO)C1 ZINC000620889304 450555566 /nfs/dbraw/zinc/55/55/66/450555566.db2.gz PPMNVGZYGUYQEE-UHFFFAOYSA-N 0 0 332.169 1.854 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccc(F)c(Br)c1 ZINC000633924934 451105649 /nfs/dbraw/zinc/10/56/49/451105649.db2.gz ROMKIFXRDRYXHZ-LLVKDONJSA-N 0 0 345.212 1.991 10 0 EDAERN Cn1nc(C2CCCCC2)cc1NC(=O)CN1CCCC[C@H](O)C1=O ZINC000644397096 453403622 /nfs/dbraw/zinc/40/36/22/453403622.db2.gz DGEZZKPVGLNDIM-HNNXBMFYSA-N 0 0 348.447 1.780 10 0 EDAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nccn1C ZINC000665474091 453707575 /nfs/dbraw/zinc/70/75/75/453707575.db2.gz UOCMCFBPBJZSKI-UKRRQHHQSA-N 0 0 331.420 1.763 10 0 EDAERN Cc1c([C@H](C)NS(=O)(=O)N(C)C)cnn1-c1ccc(F)cc1 ZINC000078351889 487107361 /nfs/dbraw/zinc/10/73/61/487107361.db2.gz PFDOACQXVUIVBN-JTQLQIEISA-N 0 0 326.397 1.777 10 0 EDAERN Cc1ccc([C@@H](C)NCC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)o1 ZINC000193045229 485835576 /nfs/dbraw/zinc/83/55/76/485835576.db2.gz IDKQFMMHZKMEQB-LLVKDONJSA-N 0 0 348.403 1.210 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](c2ncncc2S(C)(=O)=O)C1 ZINC000584647620 485899768 /nfs/dbraw/zinc/89/97/68/485899768.db2.gz GVNAWCFDLCYVHT-LLVKDONJSA-N 0 0 341.433 1.995 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC000172240471 486008183 /nfs/dbraw/zinc/00/81/83/486008183.db2.gz BOMOFZUTTVKQKE-IRWJRLHMSA-N 0 0 346.427 1.886 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccc(Br)cc1 ZINC000074774599 486019660 /nfs/dbraw/zinc/01/96/60/486019660.db2.gz FXXWIRPWOWGWMT-ZDUSSCGKSA-N 0 0 327.222 1.852 10 0 EDAERN COc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176104614 533820318 /nfs/dbraw/zinc/82/03/18/533820318.db2.gz JXDLVCDYVHCMCG-LLVKDONJSA-N 0 0 349.778 1.530 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188018497 533825250 /nfs/dbraw/zinc/82/52/50/533825250.db2.gz JPXHRDMOMVZDCO-UHFFFAOYSA-N 0 0 333.363 1.200 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130597059 533869101 /nfs/dbraw/zinc/86/91/01/533869101.db2.gz CGJWBTGAXBMZII-JQWIXIFHSA-N 0 0 340.807 1.954 10 0 EDAERN COc1ccc(F)cc1CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000187922664 533937843 /nfs/dbraw/zinc/93/78/43/533937843.db2.gz YFGHXNFPKCHFHK-OAHLLOKOSA-N 0 0 348.378 1.641 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[S@@](C)=O ZINC000159602382 534073262 /nfs/dbraw/zinc/07/32/62/534073262.db2.gz HTHDGERWNQKBFQ-QQOXFEPMSA-N 0 0 341.867 1.095 10 0 EDAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000166800791 534141991 /nfs/dbraw/zinc/14/19/91/534141991.db2.gz BZXVAWJTHPEYEO-NKWVEPMBSA-N 0 0 327.233 1.871 10 0 EDAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1N ZINC000149152041 534179012 /nfs/dbraw/zinc/17/90/12/534179012.db2.gz CBTUYPLHLUFAEU-XVKPBYJWSA-N 0 0 335.223 1.487 10 0 EDAERN C[C@@H](Cn1nnnc1-c1cc(N)c(Cl)c(Cl)c1)[S@@](C)=O ZINC000166195152 534275379 /nfs/dbraw/zinc/27/53/79/534275379.db2.gz STMWULXITLSQBX-SVPXGXJHSA-N 0 0 334.232 1.996 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@@H]1N1CCOCC1 ZINC000173850716 534307736 /nfs/dbraw/zinc/30/77/36/534307736.db2.gz MHBMVNBBJWZXAL-HIFRSBDPSA-N 0 0 332.400 1.137 10 0 EDAERN O=C(NC[C@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172113045 518200037 /nfs/dbraw/zinc/20/00/37/518200037.db2.gz OMPCQNGMTITUJA-SJORKVTESA-N 0 0 333.432 1.226 10 0 EDAERN O=C(Nc1ccccc1Cl)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173697721 534390469 /nfs/dbraw/zinc/39/04/69/534390469.db2.gz KPPDYBAPGJQUIF-NSHDSACASA-N 0 0 333.779 1.734 10 0 EDAERN O=C(Nc1ccon1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000183590431 534436974 /nfs/dbraw/zinc/43/69/74/534436974.db2.gz RJYHNMKWQUCYEW-CQSZACIVSA-N 0 0 346.387 1.264 10 0 EDAERN O=C(Nc1cnn(CC(F)(F)F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173903862 534466392 /nfs/dbraw/zinc/46/63/92/534466392.db2.gz CHRVVJHPVWFGRK-LBPRGKRZSA-N 0 0 347.341 1.384 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000091204241 534652885 /nfs/dbraw/zinc/65/28/85/534652885.db2.gz JEKKNPJSHMPLIS-ZDUSSCGKSA-N 0 0 344.371 1.202 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000070784415 534653095 /nfs/dbraw/zinc/65/30/95/534653095.db2.gz YBSOFGZAUZMEHD-HNNXBMFYSA-N 0 0 340.383 1.182 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171882964 534672884 /nfs/dbraw/zinc/67/28/84/534672884.db2.gz NOUQUCLINHGJNV-OAHLLOKOSA-N 0 0 339.399 1.469 10 0 EDAERN Nc1cc(CN2CCN3C(=O)NC[C@H]3C2)ccc1Br ZINC000159366050 534734830 /nfs/dbraw/zinc/73/48/30/534734830.db2.gz MFMDJLFIMVBSHI-JTQLQIEISA-N 0 0 325.210 1.241 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@H](C)N2CCc3ccccc32)c1 ZINC000172275769 534745398 /nfs/dbraw/zinc/74/53/98/534745398.db2.gz VGVKOKWKBSYOFF-HNNXBMFYSA-N 0 0 327.432 1.942 10 0 EDAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000155180492 534846839 /nfs/dbraw/zinc/84/68/39/534846839.db2.gz HVIBVSFXUNHYPS-DOMZBBRYSA-N 0 0 331.420 1.644 10 0 EDAERN CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCC(CO)CC2)CC1 ZINC000253567509 534871144 /nfs/dbraw/zinc/87/11/44/534871144.db2.gz KDBBNBDEBINMFH-UHFFFAOYSA-N 0 0 341.452 1.800 10 0 EDAERN O=S1CCC(NS(=O)(=O)c2ccc3c(c2)CCCN3)CC1 ZINC000158501466 534878236 /nfs/dbraw/zinc/87/82/36/534878236.db2.gz QSVHAOZXDJAUKP-UHFFFAOYSA-N 0 0 328.459 1.234 10 0 EDAERN O=S1CCC(Nc2nc3c(Br)cccn3n2)CC1 ZINC000158460054 534878316 /nfs/dbraw/zinc/87/83/16/534878316.db2.gz VFVACQHCIIDYMR-UHFFFAOYSA-N 0 0 329.223 1.815 10 0 EDAERN Cc1nc(CC(C)C)c(C(=O)NC[C@@H](O)CN2CCOCC2)s1 ZINC000133003015 534887715 /nfs/dbraw/zinc/88/77/15/534887715.db2.gz PWTQAFZPKUZEEU-CYBMUJFWSA-N 0 0 341.477 1.073 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCc2csc(-c3ccccc3)n2)C1 ZINC000190243885 526708244 /nfs/dbraw/zinc/70/82/44/526708244.db2.gz AYMDXAPFUOTQLC-UHFFFAOYSA-N 0 0 344.440 1.883 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)C1 ZINC000190285698 526708268 /nfs/dbraw/zinc/70/82/68/526708268.db2.gz JTJIRMGCNLPLJY-MRXNPFEDSA-N 0 0 333.432 1.319 10 0 EDAERN CC(C)(C)c1ccc(CCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154148948 526773128 /nfs/dbraw/zinc/77/31/28/526773128.db2.gz OQFJPPXRJIBYLM-SFHVURJKSA-N 0 0 348.487 1.726 10 0 EDAERN CC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(C)C2=O)cc1 ZINC000170050351 526961228 /nfs/dbraw/zinc/96/12/28/526961228.db2.gz RACDSWMZZTUPSO-UHFFFAOYSA-N 0 0 327.384 1.841 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2cc(N)cc(Br)c2)C1 ZINC000165730563 527729779 /nfs/dbraw/zinc/72/97/79/527729779.db2.gz VYOLYNVHKROISQ-ZDUSSCGKSA-N 0 0 342.237 1.482 10 0 EDAERN CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C)cc21 ZINC000175125716 528157244 /nfs/dbraw/zinc/15/72/44/528157244.db2.gz BVTCEERVDUQOPP-GXFFZTMASA-N 0 0 330.388 1.242 10 0 EDAERN CCNC(=O)[C@@H]1COCCN1c1ncc(N)c(C)c1Br ZINC000165608339 528216656 /nfs/dbraw/zinc/21/66/56/528216656.db2.gz MFZDIQRZEXBIPM-JTQLQIEISA-N 0 0 343.225 1.076 10 0 EDAERN CCOC(=O)c1nc(C(=O)NCCOCC(F)(F)F)cs1 ZINC000168882035 528370373 /nfs/dbraw/zinc/37/03/73/528370373.db2.gz BCGOPCVRDUTSMI-UHFFFAOYSA-N 0 0 326.296 1.629 10 0 EDAERN CCOC(=O)CC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000177977651 528651636 /nfs/dbraw/zinc/65/16/36/528651636.db2.gz GZOSMRZIISRYOB-OLZOCXBDSA-N 0 0 340.445 1.579 10 0 EDAERN CCC(CC)CS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173826395 528765198 /nfs/dbraw/zinc/76/51/98/528765198.db2.gz WHGODNLCLLZNNH-UHFFFAOYSA-N 0 0 344.481 1.652 10 0 EDAERN CCCc1nnsc1-c1nnc(S(N)(=O)=O)n1CC(C)C ZINC000158445870 528779880 /nfs/dbraw/zinc/77/98/80/528779880.db2.gz FTECGFIDASBPEQ-UHFFFAOYSA-N 0 0 330.439 1.053 10 0 EDAERN CCOC(=O)CN1C(=O)C[C@@H](Cc2ccc(OC)c(Cl)c2)C1=O ZINC000169941334 528807815 /nfs/dbraw/zinc/80/78/15/528807815.db2.gz XINIIBCNEBWIEY-LLVKDONJSA-N 0 0 339.775 1.829 10 0 EDAERN CC(C)[C@@H]1N[C@@H](c2cccs2)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000138253367 528816182 /nfs/dbraw/zinc/81/61/82/528816182.db2.gz SNQVDZNBXOQCKK-KGYLQXTDSA-N 0 0 328.459 1.390 10 0 EDAERN CC[N@H+](Cc1cncc(Br)c1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000167361785 528871644 /nfs/dbraw/zinc/87/16/44/528871644.db2.gz JLEXGPMDNWOLOT-NWDGAFQWSA-N 0 0 329.194 1.766 10 0 EDAERN CCCCc1nc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)no1 ZINC000182860381 529041819 /nfs/dbraw/zinc/04/18/19/529041819.db2.gz YQBZOWSHTYZNGK-NSHDSACASA-N 0 0 338.433 1.910 10 0 EDAERN CCc1cccc(C)c1NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173924924 529156813 /nfs/dbraw/zinc/15/68/13/529156813.db2.gz LYBXJUNZWBLCGS-QGZVFWFLSA-N 0 0 331.460 1.902 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CCN1C[C@@H](C)O ZINC000174643941 529280695 /nfs/dbraw/zinc/28/06/95/529280695.db2.gz LLJOTZKBIRKDRA-HIFRSBDPSA-N 0 0 344.415 1.654 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCN1C[C@@H](C)O ZINC000174607742 529283683 /nfs/dbraw/zinc/28/36/83/529283683.db2.gz ZBMXJDOGCHDVLE-CVEARBPZSA-N 0 0 342.443 1.790 10 0 EDAERN CCCCCNC(=O)[C@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247073591 535069894 /nfs/dbraw/zinc/06/98/94/535069894.db2.gz GRECBRRDXDAELE-DLBZAZTESA-N 0 0 336.480 1.896 10 0 EDAERN CCCNC(=O)N1CCN(c2ccc(OC)cc2OC)C(=O)[C@H]1C ZINC000037523016 535083853 /nfs/dbraw/zinc/08/38/53/535083853.db2.gz ONVJIJMWWBEYOZ-GFCCVEGCSA-N 0 0 335.404 1.861 10 0 EDAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCCNC(=O)[C@H]2C)CCO1 ZINC000248739478 535127393 /nfs/dbraw/zinc/12/73/93/535127393.db2.gz HXHJBQNWTOCATH-YUELXQCFSA-N 0 0 325.453 1.890 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000176053977 535148457 /nfs/dbraw/zinc/14/84/57/535148457.db2.gz GLOYUCNDGNXPHA-UHFFFAOYSA-N 0 0 344.419 1.542 10 0 EDAERN CC(C)c1ccc(N2C[C@H](CNS(C)(=O)=O)OCC2=O)cc1 ZINC000041418899 535372475 /nfs/dbraw/zinc/37/24/75/535372475.db2.gz JEUYVXRTKKOHEE-AWEZNQCLSA-N 0 0 326.418 1.091 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246126454 535401558 /nfs/dbraw/zinc/40/15/58/535401558.db2.gz BSWGRPZKLNJUNX-KFWWJZLASA-N 0 0 338.448 1.968 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccnn2C)C12CCCC2 ZINC000119092657 535449665 /nfs/dbraw/zinc/44/96/65/535449665.db2.gz HGUDNXNIRUNWTJ-QWHCGFSZSA-N 0 0 334.420 1.555 10 0 EDAERN CCOCCN1CCN(CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC000247190114 535603406 /nfs/dbraw/zinc/60/34/06/535603406.db2.gz OBJKOKGPDRAHDM-HUUCEWRRSA-N 0 0 339.505 1.968 10 0 EDAERN CCc1nnsc1C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116773394 535865534 /nfs/dbraw/zinc/86/55/34/535865534.db2.gz CQARJMADLMFBIT-LBPRGKRZSA-N 0 0 334.449 1.861 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000189452251 535985067 /nfs/dbraw/zinc/98/50/67/535985067.db2.gz JXZXPKREKHVHCF-INIZCTEOSA-N 0 0 333.432 1.157 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000195192278 535988326 /nfs/dbraw/zinc/98/83/26/535988326.db2.gz SKDXPTBIUJHYCD-YESZJQIVSA-N 0 0 335.423 1.780 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC000105816350 536299417 /nfs/dbraw/zinc/29/94/17/536299417.db2.gz WPOLQUMSWIVHDR-INIZCTEOSA-N 0 0 348.447 1.490 10 0 EDAERN COC(=O)C[C@@H](NS(=O)(=O)N1CCCCC1)c1ccccc1 ZINC000073769807 536312496 /nfs/dbraw/zinc/31/24/96/536312496.db2.gz IYEZTULOCAKTMY-CQSZACIVSA-N 0 0 326.418 1.611 10 0 EDAERN COCCN1CCN(CC(=O)N(Cc2ccc(C)o2)C2CC2)C[C@@H]1C ZINC000247217243 536873404 /nfs/dbraw/zinc/87/34/04/536873404.db2.gz QEPHUGQHJBNXDI-HNNXBMFYSA-N 0 0 349.475 1.732 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)Nc2cnn(CC(C)C)c2C)C1=O ZINC000888075961 590929924 /nfs/dbraw/zinc/92/99/24/590929924.db2.gz HMOFMFHMYWWLRK-OAHLLOKOSA-N 0 0 336.436 1.814 10 0 EDAERN C[C@H]1CC/C(=C/C(=O)N2CCCN(c3ncccc3C(N)=O)CC2)C1 ZINC000888076709 590931511 /nfs/dbraw/zinc/93/15/11/590931511.db2.gz LQHBNTLKZYRVLM-RHIYTYFCSA-N 0 0 342.443 1.966 10 0 EDAERN CCc1ccoc1C(=O)N1CC(N2C[C@H](c3nc(C)no3)CC2=O)C1 ZINC000888098799 591028696 /nfs/dbraw/zinc/02/86/96/591028696.db2.gz UONBFFIMYMGKLE-GFCCVEGCSA-N 0 0 344.371 1.374 10 0 EDAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)C2CC(F)(F)C2)n(C)c1=O ZINC000888098727 591028772 /nfs/dbraw/zinc/02/87/72/591028772.db2.gz LGQLYRJUOJWDDE-ZYHUDNBSSA-N 0 0 342.390 1.382 10 0 EDAERN CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3cc(C)cnn3)C2)o1 ZINC000892948422 591236160 /nfs/dbraw/zinc/23/61/60/591236160.db2.gz RCLYGBWQNYYYOK-AWEZNQCLSA-N 0 0 329.404 1.963 10 0 EDAERN Cn1ccc(C2CCN(c3cc(N4CCC[C@@H]4CO)ncn3)CC2)n1 ZINC000895643829 591239865 /nfs/dbraw/zinc/23/98/65/591239865.db2.gz AHTBHEUMCMLTDY-OAHLLOKOSA-N 0 0 342.447 1.555 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000896882525 591646479 /nfs/dbraw/zinc/64/64/79/591646479.db2.gz UPTJZTWCRHKGFF-UONOGXRCSA-N 0 0 325.372 1.412 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2[nH]cnc2c1F ZINC000896984626 591704964 /nfs/dbraw/zinc/70/49/64/591704964.db2.gz DIBDVDVBGXURDU-LLVKDONJSA-N 0 0 344.350 1.705 10 0 EDAERN O[C@]1(Cc2nc(C3CC3)no2)CCCN(c2ncc(Cl)cn2)C1 ZINC000818146026 593674729 /nfs/dbraw/zinc/67/47/29/593674729.db2.gz SKRJKVQHUIMNJF-HNNXBMFYSA-N 0 0 335.795 1.964 10 0 EDAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ccccc2O)CC1 ZINC000015251251 596310772 /nfs/dbraw/zinc/31/07/72/596310772.db2.gz ULRJMAQDFNJULW-GJZGRUSLSA-N 0 0 341.411 1.423 10 0 EDAERN Cc1occc1COC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000121656823 596411870 /nfs/dbraw/zinc/41/18/70/596411870.db2.gz MONGBIHXUZNIFR-HOCLYGCPSA-N 0 0 331.372 1.974 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(Cl)nc1 ZINC000122473190 596443014 /nfs/dbraw/zinc/44/30/14/596443014.db2.gz ROQSNSLKCLFYNP-CQSZACIVSA-N 0 0 346.818 1.673 10 0 EDAERN Cc1cc([C@@H](C)NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c(C)s1 ZINC000126515594 597511035 /nfs/dbraw/zinc/51/10/35/597511035.db2.gz RMQDUZSXKXLITG-ZYHUDNBSSA-N 0 0 330.475 1.319 10 0 EDAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000132067416 597787595 /nfs/dbraw/zinc/78/75/95/597787595.db2.gz VGKNOTAVPRNFLC-OXGONZEZSA-N 0 0 340.464 1.565 10 0 EDAERN NC1(c2nc(-c3cncc(Br)c3)no2)CCOCC1 ZINC000127597532 597853036 /nfs/dbraw/zinc/85/30/36/597853036.db2.gz BVAQDKJXWDJXKG-UHFFFAOYSA-N 0 0 325.166 1.859 10 0 EDAERN CC(=O)OC1CCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181717213 699979903 /nfs/dbraw/zinc/97/99/03/699979903.db2.gz WJSUABDKNQXJOR-ZDUSSCGKSA-N 0 0 349.435 1.453 10 0 EDAERN CNc1ncc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)s1 ZINC000154756293 697179640 /nfs/dbraw/zinc/17/96/40/697179640.db2.gz UCXIRADSSYSCTP-GFCCVEGCSA-N 0 0 335.433 1.539 10 0 EDAERN O=C(C1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)C(F)(F)F ZINC000185113906 698974868 /nfs/dbraw/zinc/97/48/68/698974868.db2.gz QVDINXDROKJXFY-RYUDHWBXSA-N 0 0 344.333 1.739 10 0 EDAERN Cn1cc([C@H]2[C@H](C(=O)OCC3(C#N)CCCC3)CCC(=O)N2C)cn1 ZINC000183879896 702741503 /nfs/dbraw/zinc/74/15/03/702741503.db2.gz DWRYOBOBOWCVND-ZBFHGGJFSA-N 0 0 344.415 1.957 10 0 EDAERN C[NH+](C)CCNC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208700 214050461 /nfs/dbraw/zinc/05/04/61/214050461.db2.gz YOLSZXDYRFHBLH-UHFFFAOYSA-N 0 0 330.182 1.830 10 0 EDAERN CCCCN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050634272 214062807 /nfs/dbraw/zinc/06/28/07/214062807.db2.gz VOHVVJPYWNJXAP-UHFFFAOYSA-N 0 0 334.463 1.483 10 0 EDAERN Nc1ccc(Cl)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000050693539 214066640 /nfs/dbraw/zinc/06/66/40/214066640.db2.gz IAIWVNQBVZKQEB-UHFFFAOYSA-N 0 0 326.765 1.217 10 0 EDAERN CCNc1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000050771236 214069693 /nfs/dbraw/zinc/06/96/93/214069693.db2.gz LQPAOBMZKZOHSD-VIFPVBQESA-N 0 0 331.825 1.331 10 0 EDAERN CCCNC(=O)CCNC(=O)c1cc(Br)cnc1NC ZINC000050789103 214070177 /nfs/dbraw/zinc/07/01/77/214070177.db2.gz GXUYHHUUGQUXLU-UHFFFAOYSA-N 0 0 343.225 1.532 10 0 EDAERN Cn1c2cc(Br)c([C@@H](O)[C@@H]3CCCO3)cc2n(C)c1=O ZINC000051952107 214110533 /nfs/dbraw/zinc/11/05/33/214110533.db2.gz ZRKDJADCPSETNZ-QWHCGFSZSA-N 0 0 341.205 1.852 10 0 EDAERN C[C@H](O)c1cc(Br)ccc1O[C@@H](C)C(=O)NC(N)=O ZINC000052068400 214114693 /nfs/dbraw/zinc/11/46/93/214114693.db2.gz VXHHHTYRSFVEST-BQBZGAKWSA-N 0 0 331.166 1.465 10 0 EDAERN CS(=O)(=O)Cc1noc(-c2cc(Br)ccc2N)n1 ZINC000052788491 214145420 /nfs/dbraw/zinc/14/54/20/214145420.db2.gz OKVCHILBJSGTBV-UHFFFAOYSA-N 0 0 332.179 1.626 10 0 EDAERN Cc1cc2cc3c(cc2[nH]c1=O)CN(C(=O)N1CCOCC1)CC3 ZINC000062578480 214723740 /nfs/dbraw/zinc/72/37/40/214723740.db2.gz ROFDKBGZTZWMOJ-UHFFFAOYSA-N 0 0 327.384 1.647 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)C(N)=O ZINC000053394556 214181901 /nfs/dbraw/zinc/18/19/01/214181901.db2.gz DZIPIJKWLMSXSR-CABZTGNLSA-N 0 0 325.796 1.084 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(F)c(F)c(F)c3F)CCO2)[nH]1 ZINC000173541968 230966857 /nfs/dbraw/zinc/96/68/57/230966857.db2.gz NMFKPNZUUXGNIP-SECBINFHSA-N 0 0 344.268 1.883 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3ccc(F)c(F)c3)CCO2)[nH]1 ZINC000173684968 231005813 /nfs/dbraw/zinc/00/58/13/231005813.db2.gz HOSGPHHAGIMRDY-ZDUSSCGKSA-N 0 0 337.330 1.403 10 0 EDAERN Nc1nc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cs1 ZINC000055272488 214298863 /nfs/dbraw/zinc/29/88/63/214298863.db2.gz VQYUWEXRFMPEFV-VXGBXAGGSA-N 0 0 327.475 1.781 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)CCO2)[nH]1 ZINC000173735079 231019232 /nfs/dbraw/zinc/01/92/32/231019232.db2.gz OFIHSEBFZSRLHQ-OAHLLOKOSA-N 0 0 348.428 1.364 10 0 EDAERN C[C@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@H]1N1CCOCC1 ZINC000173870509 231055944 /nfs/dbraw/zinc/05/59/44/231055944.db2.gz ZBCQUGOJKDPTPL-IINYFYTJSA-N 0 0 328.334 1.897 10 0 EDAERN Cc1noc2nc(C)cc(C(=O)N3C[C@@H](C)[C@H](N4CCOCC4)C3)c12 ZINC000173881028 231059129 /nfs/dbraw/zinc/05/91/29/231059129.db2.gz BEIPXTJKEJTWTH-IAQYHMDHSA-N 0 0 344.415 1.632 10 0 EDAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174009194 231097789 /nfs/dbraw/zinc/09/77/89/231097789.db2.gz HTFVATGZZOBKHC-OAHLLOKOSA-N 0 0 342.399 1.040 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1N1CCN(S(C)(=O)=O)CC1 ZINC000056937353 214396659 /nfs/dbraw/zinc/39/66/59/214396659.db2.gz HVNSPNUKNDQZSK-UHFFFAOYSA-N 0 0 334.445 1.571 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCn1cnnc1C ZINC000156209448 529420135 /nfs/dbraw/zinc/42/01/35/529420135.db2.gz XWRXUCPFSMPCKC-CJNGLKHVSA-N 0 0 343.431 1.547 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(NC=O)cc3)CCO2)c1 ZINC000174806030 231315979 /nfs/dbraw/zinc/31/59/79/231315979.db2.gz FGZFONYYKSKRRK-MRXNPFEDSA-N 0 0 328.372 1.301 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)C[C@H]1C ZINC000174896391 231337890 /nfs/dbraw/zinc/33/78/90/231337890.db2.gz CILRJWVILHGLAL-CYBMUJFWSA-N 0 0 344.415 1.286 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)CSC(C)(C)C)C2=O)n(C)n1 ZINC000174982002 231359784 /nfs/dbraw/zinc/35/97/84/231359784.db2.gz XSKDRTMMGUGTMX-GFCCVEGCSA-N 0 0 338.477 1.872 10 0 EDAERN O=C(NCc1nn2c(nnc2C(F)(F)F)s1)c1cccnc1 ZINC000049735502 214030310 /nfs/dbraw/zinc/03/03/10/214030310.db2.gz PTRSIWCZQJUIEX-UHFFFAOYSA-N 0 0 328.279 1.530 10 0 EDAERN O=C1Nc2ccccc2O[C@@H]1CNS(=O)(=O)CCc1ccccc1 ZINC000049739213 214030350 /nfs/dbraw/zinc/03/03/50/214030350.db2.gz XAZKOIYRQIYXTN-MRXNPFEDSA-N 0 0 346.408 1.548 10 0 EDAERN CCOc1ccc(S(=O)(=O)NCc2nn3cnnc3s2)cc1 ZINC000049735360 214029852 /nfs/dbraw/zinc/02/98/52/214029852.db2.gz NEXBWYZQQZKWAL-UHFFFAOYSA-N 0 0 339.402 1.063 10 0 EDAERN Cc1nnc2sc(CNS(=O)(=O)c3ccc(Cl)s3)nn12 ZINC000049721889 214028649 /nfs/dbraw/zinc/02/86/49/214028649.db2.gz JPTITTWKBSBMSZ-UHFFFAOYSA-N 0 0 349.850 1.688 10 0 EDAERN COc1ccc(NC(=O)c2cnn([C@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000049658420 214024968 /nfs/dbraw/zinc/02/49/68/214024968.db2.gz WJMIVAJFTCEWKX-ZDUSSCGKSA-N 0 0 349.412 1.812 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(F)cc1F ZINC000176287006 231615723 /nfs/dbraw/zinc/61/57/23/231615723.db2.gz PUPMHZZSPAFMDK-ZDUSSCGKSA-N 0 0 349.341 1.246 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cnn(CC(C)C)c3C)CCO2)[nH]1 ZINC000164033017 529702117 /nfs/dbraw/zinc/70/21/17/529702117.db2.gz UXSOHVOPVLNXQX-CQSZACIVSA-N 0 0 346.435 1.742 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3ccccc3)CCO2)[nH]1 ZINC000178012630 529701059 /nfs/dbraw/zinc/70/10/59/529701059.db2.gz NBTPNSMSSOPAMR-CQSZACIVSA-N 0 0 329.404 1.693 10 0 EDAERN CCc1ccc([C@@H](COC)NC(=O)N[C@@H]2CCCn3ncnc32)o1 ZINC000176549193 529710676 /nfs/dbraw/zinc/71/06/76/529710676.db2.gz PHXHVOSAHHQBMN-CHWSQXEVSA-N 0 0 333.392 1.955 10 0 EDAERN CCc1nc(C2(NC(=O)C3CCN(C(C)=O)CC3)CCCC2)no1 ZINC000175123555 529730654 /nfs/dbraw/zinc/73/06/54/529730654.db2.gz ZGTGUHUNTPUSQB-UHFFFAOYSA-N 0 0 334.420 1.776 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)[C@H](C)CCSC)CC2 ZINC000153216325 529750899 /nfs/dbraw/zinc/75/08/99/529750899.db2.gz NGKLAWYWOXVRIL-NEPJUHHUSA-N 0 0 325.482 1.938 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(OCCOC)cc1)CC2 ZINC000172256195 529751025 /nfs/dbraw/zinc/75/10/25/529751025.db2.gz OUYUMDXPUDKJKT-AWEZNQCLSA-N 0 0 344.415 1.611 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)c2c(C)nn(C)c2OC)C1 ZINC000171804602 529761141 /nfs/dbraw/zinc/76/11/41/529761141.db2.gz JOWYZTNHYQMTMD-ZDUSSCGKSA-N 0 0 331.420 1.973 10 0 EDAERN COCCS(=O)(=O)N1CCC[C@H]1C(=O)c1ccc(C)c(C)c1 ZINC000062313946 214709040 /nfs/dbraw/zinc/70/90/40/214709040.db2.gz WYVWQRLZNGXRPN-HNNXBMFYSA-N 0 0 325.430 1.927 10 0 EDAERN CC(C)c1ccc(N2CCN(CC(=O)N3CCOCC3)C2=O)cc1 ZINC000049403520 214006447 /nfs/dbraw/zinc/00/64/47/214006447.db2.gz NTOIXAJXEMVUQU-UHFFFAOYSA-N 0 0 331.416 1.911 10 0 EDAERN CC(C)c1ccc(N2CCN(CC(=O)N3CCNC(=O)C3)C2=O)cc1 ZINC000049404302 214005582 /nfs/dbraw/zinc/00/55/82/214005582.db2.gz NCJOMJQRCVPXCC-UHFFFAOYSA-N 0 0 344.415 1.010 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000178397212 529901689 /nfs/dbraw/zinc/90/16/89/529901689.db2.gz ZEVDVWAJMDBWGB-NSHDSACASA-N 0 0 344.198 1.669 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000166883354 529923167 /nfs/dbraw/zinc/92/31/67/529923167.db2.gz ZVVRRPJIPURWQT-LLVKDONJSA-N 0 0 343.305 1.381 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCCF)C(C)C)c1 ZINC000153959264 539385640 /nfs/dbraw/zinc/38/56/40/539385640.db2.gz XKHSPLVSOQCLLO-HNNXBMFYSA-N 0 0 340.395 1.934 10 0 EDAERN CCC1(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)CCC1 ZINC000126230475 222672274 /nfs/dbraw/zinc/67/22/74/222672274.db2.gz QHQNXWHTDQTQKB-NSHDSACASA-N 0 0 335.429 1.563 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000101565509 219139035 /nfs/dbraw/zinc/13/90/35/219139035.db2.gz ZBQVJUWBSJUNDN-CQSZACIVSA-N 0 0 343.427 1.663 10 0 EDAERN CN1CCN(C(=O)c2cc(N)cc(Br)c2)C(C)(C)C1=O ZINC000166124864 530069532 /nfs/dbraw/zinc/06/95/32/530069532.db2.gz LVFDWURILFAPPA-UHFFFAOYSA-N 0 0 340.221 1.724 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000177983669 232049063 /nfs/dbraw/zinc/04/90/63/232049063.db2.gz YSJFGXDNBRUXIY-OAHLLOKOSA-N 0 0 330.363 1.960 10 0 EDAERN C[C@@H](CNC(=O)c1cc(Br)cn1C)N1CCOCC1 ZINC000047639234 213862083 /nfs/dbraw/zinc/86/20/83/213862083.db2.gz XZLUMTYKPUPUFR-JTQLQIEISA-N 0 0 330.226 1.238 10 0 EDAERN CCOc1ccccc1C(=O)N[C@H](CO)[C@@H](O)c1ccc(N)cc1 ZINC000066142515 215017345 /nfs/dbraw/zinc/01/73/45/215017345.db2.gz PXHAHDOABNEUQW-WBVHZDCISA-N 0 0 330.384 1.492 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C)C1 ZINC000102102127 219186334 /nfs/dbraw/zinc/18/63/34/219186334.db2.gz JIXVSZOWGVZUQU-CQSZACIVSA-N 0 0 331.416 1.841 10 0 EDAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000154222067 539559298 /nfs/dbraw/zinc/55/92/98/539559298.db2.gz OTCBUIHAOYXHGK-IDWKVMDRSA-N 0 0 342.505 1.891 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000067473638 215151964 /nfs/dbraw/zinc/15/19/64/215151964.db2.gz WZMQIXLNAILVFR-GFCCVEGCSA-N 0 0 340.383 1.612 10 0 EDAERN CCCC(=O)O[C@H]1O[C@H]([C@@H]2COC(C)(C)O2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000065735041 282597440 /nfs/dbraw/zinc/59/74/40/282597440.db2.gz INMKUQZPEKWDFA-RBQFQAMWSA-N 0 0 330.377 1.726 10 0 in-vitro EDAERN CN(Cc1cscn1)C(=O)c1cc(N)cc(S(C)(=O)=O)c1 ZINC000042829072 213536949 /nfs/dbraw/zinc/53/69/49/213536949.db2.gz NEMFQAKJURMWIS-UHFFFAOYSA-N 0 0 325.415 1.401 10 0 EDAERN CCn1cc(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cn1 ZINC000179431687 233024091 /nfs/dbraw/zinc/02/40/91/233024091.db2.gz QUPUYIONZUMKCU-CYBMUJFWSA-N 0 0 347.396 1.121 10 0 EDAERN Nc1cc(-c2nnnn2[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1Cl ZINC000042015359 213475049 /nfs/dbraw/zinc/47/50/49/213475049.db2.gz PUJNSMXHOURQBI-SSDOTTSWSA-N 0 0 348.215 1.589 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1Cl ZINC000041917215 213471548 /nfs/dbraw/zinc/47/15/48/213471548.db2.gz BUTYSRPYRCHALI-CABZTGNLSA-N 0 0 326.780 1.971 10 0 EDAERN Cc1csc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)n1 ZINC000067939347 215253906 /nfs/dbraw/zinc/25/39/06/215253906.db2.gz DGEJAMNDGKGSTN-DGCLKSJQSA-N 0 0 332.429 1.908 10 0 EDAERN COCCNC(=O)c1ccc(NC(=O)[C@@H](C)COC)cc1Cl ZINC000103382365 219295223 /nfs/dbraw/zinc/29/52/23/219295223.db2.gz USTOUTWDRGQUSB-JTQLQIEISA-N 0 0 328.796 1.937 10 0 EDAERN COC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000103435488 219299425 /nfs/dbraw/zinc/29/94/25/219299425.db2.gz KLCBNNIHAKAOHA-ZWNOBZJWSA-N 0 0 326.393 1.948 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)o1 ZINC000103624892 219317877 /nfs/dbraw/zinc/31/78/77/219317877.db2.gz AGRPRRWTZHCIBP-NSHDSACASA-N 0 0 329.356 1.811 10 0 EDAERN COc1ccc(CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000103963159 219333542 /nfs/dbraw/zinc/33/35/42/219333542.db2.gz XEGUYDWNOBMSHW-HUUCEWRRSA-N 0 0 328.368 1.263 10 0 EDAERN CC[C@@H]1C(=O)NCCN1C(=O)c1cc(N)ccc1Br ZINC000104128090 219349345 /nfs/dbraw/zinc/34/93/45/219349345.db2.gz MSYDSLVJAMRZOY-LLVKDONJSA-N 0 0 326.194 1.382 10 0 EDAERN CCS(=O)(=O)NCCN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000068823177 215337086 /nfs/dbraw/zinc/33/70/86/215337086.db2.gz QMXIKSPRKXGIFW-HNNXBMFYSA-N 0 0 326.462 1.778 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000040829086 213391384 /nfs/dbraw/zinc/39/13/84/213391384.db2.gz WCBYHPBBHSGKFJ-ZJUUUORDSA-N 0 0 328.419 1.013 10 0 EDAERN Nc1ccc(-c2nnnn2[C@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000069146023 215364545 /nfs/dbraw/zinc/36/45/45/215364545.db2.gz JGDYKJHGBSGMJN-VIFPVBQESA-N 0 0 327.797 1.325 10 0 EDAERN CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cnc(Cl)nc1 ZINC000040691139 213368822 /nfs/dbraw/zinc/36/88/22/213368822.db2.gz YHUUFIGYDWCNQQ-UHFFFAOYSA-N 0 0 334.829 1.055 10 0 EDAERN O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180975732 234049564 /nfs/dbraw/zinc/04/95/64/234049564.db2.gz QOSIDMNFMAAHRL-LLVKDONJSA-N 0 0 342.371 1.657 10 0 EDAERN C[C@H](CNC(=O)c1cc(OCC(F)F)ccn1)N1CCOCC1 ZINC000181338004 234157208 /nfs/dbraw/zinc/15/72/08/234157208.db2.gz PCSHCEVPOODYLF-LLVKDONJSA-N 0 0 329.347 1.176 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181870409 234362048 /nfs/dbraw/zinc/36/20/48/234362048.db2.gz MZINNXQEYBKZIW-CZUORRHYSA-N 0 0 342.399 1.683 10 0 EDAERN Cc1cc(S(=O)(=O)N(CC(N)=O)C(C)C)ccc1Br ZINC000040413638 213300777 /nfs/dbraw/zinc/30/07/77/213300777.db2.gz LAGYXMRDJWFRGY-UHFFFAOYSA-N 0 0 349.250 1.642 10 0 EDAERN CC[C@@H](CCO)NC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000159230108 540006739 /nfs/dbraw/zinc/00/67/39/540006739.db2.gz YULWUCSYLHSSQZ-BBRMVZONSA-N 0 0 336.432 1.727 10 0 EDAERN CN1CCN(C(=O)Cn2cc(NC(=O)C(C3CC3)C3CC3)cn2)CC1 ZINC000127889507 222894399 /nfs/dbraw/zinc/89/43/99/222894399.db2.gz PRYCGSCRDRCLSH-UHFFFAOYSA-N 0 0 345.447 1.032 10 0 EDAERN C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)CCN1CC1 ZINC000038646215 213219674 /nfs/dbraw/zinc/21/96/74/213219674.db2.gz DKODUJNNJQIUOC-UHFFFAOYSA-N 0 0 339.388 1.090 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)C[C@H]1N1CCOCC1 ZINC000177835163 540106875 /nfs/dbraw/zinc/10/68/75/540106875.db2.gz GLYFMUNFJSEMFZ-IUODEOHRSA-N 0 0 331.420 1.538 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cccc(OCc2noc(C)n2)c1)C(C)C ZINC000179441761 540118131 /nfs/dbraw/zinc/11/81/31/540118131.db2.gz QTZFYXIUOHUKQI-OAHLLOKOSA-N 0 0 346.387 1.457 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)o1 ZINC000183934543 235264510 /nfs/dbraw/zinc/26/45/10/235264510.db2.gz FHUZOSSZKKQCBS-NSHDSACASA-N 0 0 337.401 1.724 10 0 EDAERN C[C@@H]1CN(c2ccccc2F)CCN1C[C@H](O)CN1CCCC1=O ZINC000191635202 540175133 /nfs/dbraw/zinc/17/51/33/540175133.db2.gz DKUVKPZAKQFBFN-CABCVRRESA-N 0 0 335.423 1.320 10 0 EDAERN O=C(NC1CN(C(=O)c2ncc(Br)s2)C1)C1CCC1 ZINC000192506299 540179312 /nfs/dbraw/zinc/17/93/12/540179312.db2.gz URJYLQJKWLVAFI-UHFFFAOYSA-N 0 0 344.234 1.646 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000192560294 540179850 /nfs/dbraw/zinc/17/98/50/540179850.db2.gz YOIITZAHIDTALO-OWCLPIDISA-N 0 0 336.819 1.985 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000192786388 540180678 /nfs/dbraw/zinc/18/06/78/540180678.db2.gz NVEKQLOASOJPNB-RCCFBDPRSA-N 0 0 330.428 1.592 10 0 EDAERN COCCOc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000184279480 235354830 /nfs/dbraw/zinc/35/48/30/235354830.db2.gz GWJNZGHYIMVCGT-ZDUSSCGKSA-N 0 0 342.823 1.426 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N[C@H]1CCC(=O)NC1=O ZINC000184252753 235347250 /nfs/dbraw/zinc/34/72/50/235347250.db2.gz OQJRJBGDCKAALY-QWRGUYRKSA-N 0 0 343.305 1.264 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1nnc2n1CCCC2 ZINC000041138882 138101242 /nfs/dbraw/zinc/10/12/42/138101242.db2.gz PSFSTELFWZHKBX-GFCCVEGCSA-N 0 0 342.403 1.441 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2ccncc2)no1 ZINC000073329754 138216780 /nfs/dbraw/zinc/21/67/80/138216780.db2.gz UIWSLVSJRUKNBO-CYBMUJFWSA-N 0 0 343.387 1.143 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1OC(F)F ZINC000077938195 138256015 /nfs/dbraw/zinc/25/60/15/138256015.db2.gz XWLZPQUSCLHGTB-ZYHUDNBSSA-N 0 0 342.342 1.894 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000083739797 138269448 /nfs/dbraw/zinc/26/94/48/138269448.db2.gz HUAHWLKQVRBUGB-QWHCGFSZSA-N 0 0 349.435 1.795 10 0 EDAERN NC(=O)c1ccc(S(=O)(=O)Nc2cc(N)ccc2Cl)cc1 ZINC000038033767 213193835 /nfs/dbraw/zinc/19/38/35/213193835.db2.gz VOPZSQGYZBLENB-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000091190232 138282483 /nfs/dbraw/zinc/28/24/83/138282483.db2.gz HJKNCPPIFVNBBK-SNVBAGLBSA-N 0 0 349.337 1.788 10 0 EDAERN CCCN1c2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C)cc2CCC1=O ZINC000091219146 138283009 /nfs/dbraw/zinc/28/30/09/138283009.db2.gz BWOZCWQZAZYKCW-SMDDNHRTSA-N 0 0 329.400 1.839 10 0 EDAERN COc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1Br ZINC000038007251 213188171 /nfs/dbraw/zinc/18/81/71/213188171.db2.gz LEOYWDAAZUUDDC-UHFFFAOYSA-N 0 0 346.206 1.659 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000104797313 138300469 /nfs/dbraw/zinc/30/04/69/138300469.db2.gz UATSMCOJOICYNX-ROUUACIJSA-N 0 0 340.427 1.801 10 0 EDAERN Cc1ccc(NC(=O)CSC[C@@H](O)CO)c(Br)c1 ZINC000093959199 138295148 /nfs/dbraw/zinc/29/51/48/138295148.db2.gz NODHOGNGKNHYOF-VIFPVBQESA-N 0 0 334.235 1.782 10 0 EDAERN CCCN(C)S(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000120680426 138316206 /nfs/dbraw/zinc/31/62/06/138316206.db2.gz QLXKBUQZHPYZPS-AWEZNQCLSA-N 0 0 329.470 1.194 10 0 EDAERN Cn1nccc1C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000124336788 138326077 /nfs/dbraw/zinc/32/60/77/138326077.db2.gz RIILKNUHAQCRLW-OAHLLOKOSA-N 0 0 344.459 1.917 10 0 EDAERN NC(=O)[C@H](NC[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000037942973 213175224 /nfs/dbraw/zinc/17/52/24/213175224.db2.gz OOZNJDGGKYGGSM-BXKDBHETSA-N 0 0 331.185 1.883 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCNC(=O)C(C)C ZINC000127544344 138338686 /nfs/dbraw/zinc/33/86/86/138338686.db2.gz KJCVPKFDHPRVOV-LBPRGKRZSA-N 0 0 336.440 1.137 10 0 EDAERN CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000129970895 138339301 /nfs/dbraw/zinc/33/93/01/138339301.db2.gz LFKNVLLIYSNCIP-QWRGUYRKSA-N 0 0 349.460 1.609 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2n1CCCC2 ZINC000130436250 138341410 /nfs/dbraw/zinc/34/14/10/138341410.db2.gz MZSFIXWRDXBQPB-VTPLQMEGSA-N 0 0 333.436 1.788 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@@H]1c1ccncc1 ZINC000037859586 213171456 /nfs/dbraw/zinc/17/14/56/213171456.db2.gz BAMFOGKHYSPBOT-LLVKDONJSA-N 0 0 325.415 1.666 10 0 EDAERN C[C@@H](CNC(=O)CCc1nc(C2CCCC2)no1)N1CCOCC1 ZINC000131870835 138367153 /nfs/dbraw/zinc/36/71/53/138367153.db2.gz HOUOPRZLAHOWLT-ZDUSSCGKSA-N 0 0 336.436 1.497 10 0 EDAERN O=S1(=O)C[C@H](Oc2ccc(F)cc2Br)[C@H](O)C1 ZINC000037489231 213149698 /nfs/dbraw/zinc/14/96/98/213149698.db2.gz PVEABEBRBFFYNO-SCZZXKLOSA-N 0 0 325.155 1.125 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCOC3(CCC3)C1)CC2 ZINC000133759426 138397890 /nfs/dbraw/zinc/39/78/90/138397890.db2.gz VFHUARFFZPCNBF-CYBMUJFWSA-N 0 0 333.436 1.681 10 0 EDAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135316686 138422637 /nfs/dbraw/zinc/42/26/37/138422637.db2.gz MAYVESUNGZSMNA-GHMZBOCLSA-N 0 0 331.376 1.203 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)C[C@@H](C)c1ccccc1)CC2 ZINC000151244657 138450873 /nfs/dbraw/zinc/45/08/73/138450873.db2.gz MQELXZJRHDHMBS-HIFRSBDPSA-N 0 0 348.472 1.878 10 0 EDAERN CN(C)S(=O)(=O)N[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000036109713 213070012 /nfs/dbraw/zinc/07/00/12/213070012.db2.gz OTXKBSHKVJPIKW-AWEZNQCLSA-N 0 0 325.434 1.136 10 0 EDAERN Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCCCC2)cc1 ZINC000036110888 213070026 /nfs/dbraw/zinc/07/00/26/213070026.db2.gz RJCGBBWUFFLWEL-UHFFFAOYSA-N 0 0 340.445 1.306 10 0 EDAERN CC(C)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(C)CC1 ZINC000036106902 213069374 /nfs/dbraw/zinc/06/93/74/213069374.db2.gz ASBZUJOEMZQHEF-INIZCTEOSA-N 0 0 335.423 1.744 10 0 EDAERN CS(=O)(=O)NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000036138596 213072482 /nfs/dbraw/zinc/07/24/82/213072482.db2.gz JUMZBDMENOPTAF-UHFFFAOYSA-N 0 0 347.371 1.574 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187741138 236288631 /nfs/dbraw/zinc/28/86/31/236288631.db2.gz GKBVMPHILWYTFC-UBHSHLNASA-N 0 0 348.424 1.694 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCC(C)CC3)n2)n1 ZINC000035965358 213052363 /nfs/dbraw/zinc/05/23/63/213052363.db2.gz YLVYZQFUYQNBAB-UHFFFAOYSA-N 0 0 329.404 1.304 10 0 EDAERN CCOc1ccc(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187975625 236365956 /nfs/dbraw/zinc/36/59/56/236365956.db2.gz GDEMVTAUKPBJGK-HNNXBMFYSA-N 0 0 334.416 1.035 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cc(F)c(F)cc1F)CC2 ZINC000126099075 138611234 /nfs/dbraw/zinc/61/12/34/138611234.db2.gz FYZBRCDPHPVZLT-SNVBAGLBSA-N 0 0 338.333 1.932 10 0 EDAERN CCOC(=O)CN(CC(C)C)S(=O)(=O)c1cnccc1Cl ZINC000071204276 215745258 /nfs/dbraw/zinc/74/52/58/215745258.db2.gz GSDOWQMIZDZNPM-UHFFFAOYSA-N 0 0 334.825 1.945 10 0 EDAERN NNc1ccncc1S(=O)(=O)NCc1ccc(F)c(Cl)c1 ZINC000071220801 215745277 /nfs/dbraw/zinc/74/52/77/215745277.db2.gz LHSQGXUJPPXIAT-UHFFFAOYSA-N 0 0 330.772 1.638 10 0 EDAERN CCN(Cc1ccc(Br)s1)C(=O)C[NH2+]CCC(=O)[O-] ZINC000035386124 213024977 /nfs/dbraw/zinc/02/49/77/213024977.db2.gz YRLOVONXJPBPME-UHFFFAOYSA-N 0 0 349.250 1.923 10 0 EDAERN C[C@@H]([NH2+]CC(=O)Nc1ccccc1I)C(=O)[O-] ZINC000035388792 213024447 /nfs/dbraw/zinc/02/44/47/213024447.db2.gz NNMTVZMXUFROIU-SSDOTTSWSA-N 0 0 348.140 1.292 10 0 EDAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2nccs2)C1 ZINC000171665544 138659531 /nfs/dbraw/zinc/65/95/31/138659531.db2.gz SELWTSFXQAHXLJ-ZJUUUORDSA-N 0 0 335.437 1.111 10 0 EDAERN Cc1cc2ncnn2nc1OCC(C)(C)CCCCS(N)(=O)=O ZINC000033894526 212967265 /nfs/dbraw/zinc/96/72/65/212967265.db2.gz WVMWXBCLQVGKOW-UHFFFAOYSA-N 0 0 341.437 1.297 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCCc1ccc2c(c1)CC(=O)N2)C(C)C ZINC000178698151 138744538 /nfs/dbraw/zinc/74/45/38/138744538.db2.gz GIJAKAPKNTXSMF-QGZVFWFLSA-N 0 0 331.416 1.391 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000178942379 138748163 /nfs/dbraw/zinc/74/81/63/138748163.db2.gz OIFIEBSBDNDJBM-STQMWFEESA-N 0 0 333.436 1.091 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000182728957 138778289 /nfs/dbraw/zinc/77/82/89/138778289.db2.gz UMIGODGTERNUTF-OAHLLOKOSA-N 0 0 342.403 1.081 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(Cl)cc1 ZINC000182936390 138779851 /nfs/dbraw/zinc/77/98/51/138779851.db2.gz CMSKBMJAUKMGLS-JTQLQIEISA-N 0 0 333.775 1.855 10 0 EDAERN O=C1N[C@@H](c2ccc(OCC(F)(F)F)c(F)c2)N2CCOC[C@@H]12 ZINC000183952025 138789826 /nfs/dbraw/zinc/78/98/26/138789826.db2.gz JEMRQXSPBGXMBM-CMPLNLGQSA-N 0 0 334.269 1.596 10 0 EDAERN O=C([O-])[C@]12C[NH2+]C[C@H]1C(=O)N(Cc1ccc(-c3ccccc3)cc1)C2 ZINC000072411003 216202120 /nfs/dbraw/zinc/20/21/20/216202120.db2.gz NNGSOMQGSNLFIT-PXNSSMCTSA-N 0 0 336.391 1.986 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCc2c[nH]c3ccc(C)cc23)C1 ZINC000185278688 138803630 /nfs/dbraw/zinc/80/36/30/138803630.db2.gz YVMMBCYLWQWHKC-UHFFFAOYSA-N 0 0 329.400 1.382 10 0 EDAERN COCCn1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000190098982 238215525 /nfs/dbraw/zinc/21/55/25/238215525.db2.gz AJNMHDPJKBBCRC-UKRRQHHQSA-N 0 0 333.388 1.851 10 0 EDAERN Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(N(C)C)cc1 ZINC000072465087 216246290 /nfs/dbraw/zinc/24/62/90/216246290.db2.gz PTWZSXARHIQETD-UHFFFAOYSA-N 0 0 341.415 1.940 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000130335416 223144942 /nfs/dbraw/zinc/14/49/42/223144942.db2.gz IRTIRIZVSJHYPJ-NSHDSACASA-N 0 0 331.376 1.234 10 0 EDAERN CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc21 ZINC000072607810 216280641 /nfs/dbraw/zinc/28/06/41/216280641.db2.gz JFMBCFNUHMTAEG-LBPRGKRZSA-N 0 0 346.431 1.878 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000186761394 138819800 /nfs/dbraw/zinc/81/98/00/138819800.db2.gz BCMKONXKSWVLNX-ZDUSSCGKSA-N 0 0 335.335 1.668 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000188188794 138833845 /nfs/dbraw/zinc/83/38/45/138833845.db2.gz CNPGDNXKXLKYSU-SNVBAGLBSA-N 0 0 325.796 1.557 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000188447405 138841537 /nfs/dbraw/zinc/84/15/37/138841537.db2.gz VMWANFUNQYRXGW-CDHAZOANSA-N 0 0 326.396 1.999 10 0 EDAERN COc1cccc2c1OCC(C(=O)N1CC(NC(=O)C3CCC3)C1)=C2 ZINC000188553840 138844610 /nfs/dbraw/zinc/84/46/10/138844610.db2.gz SURLHALQLRGDKL-UHFFFAOYSA-N 0 0 342.395 1.598 10 0 EDAERN Cc1cnn(C[C@@H]2CN(c3nnnn3-c3ccccc3)CCO2)c1 ZINC000108949879 219934254 /nfs/dbraw/zinc/93/42/54/219934254.db2.gz FSJRQIJLBKXFEV-HNNXBMFYSA-N 0 0 325.376 1.073 10 0 EDAERN CCN(CC)C(=O)CN(C)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000023799927 212396923 /nfs/dbraw/zinc/39/69/23/212396923.db2.gz NKNPFPYCSCQCPR-ZDUSSCGKSA-N 0 0 334.420 1.523 10 0 EDAERN CO[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188787368 138852020 /nfs/dbraw/zinc/85/20/20/138852020.db2.gz PQPKPRXRCXLRGG-MRXNPFEDSA-N 0 0 331.416 1.684 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000132310529 223319395 /nfs/dbraw/zinc/31/93/95/223319395.db2.gz FWPZSUVWQJADNM-ZDUSSCGKSA-N 0 0 345.403 1.680 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000189875995 138881939 /nfs/dbraw/zinc/88/19/39/138881939.db2.gz PETSVFXBWODJJX-XGWLTEMNSA-N 0 0 334.416 1.633 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2n[nH]nc2c1 ZINC000249340216 284165268 /nfs/dbraw/zinc/16/52/68/284165268.db2.gz SDFHJAAKRHRIJZ-VQISRLSMSA-N 0 0 328.372 1.904 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)cnn1C1CCCC1 ZINC000193446984 138969556 /nfs/dbraw/zinc/96/95/56/138969556.db2.gz LFAWPZFXPSXNTH-DZGCQCFKSA-N 0 0 334.420 1.665 10 0 EDAERN CCOC(=O)NCC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000193736628 138977244 /nfs/dbraw/zinc/97/72/44/138977244.db2.gz MXYKSQNHOGMDNH-ZWNOBZJWSA-N 0 0 328.315 1.345 10 0 EDAERN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)[C@H]1CNC(=O)C1 ZINC000194649316 138997596 /nfs/dbraw/zinc/99/75/96/138997596.db2.gz RYGYNMSVXISADS-GFCCVEGCSA-N 0 0 329.331 1.765 10 0 EDAERN CCc1nnc(Cn2nnc(-c3ccc(OC)c(OC)c3)n2)n1C ZINC000194652667 138997809 /nfs/dbraw/zinc/99/78/09/138997809.db2.gz QCDUEBFRKBDRCW-UHFFFAOYSA-N 0 0 329.364 1.097 10 0 EDAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCc2ccc(F)cc21 ZINC000195023760 139005049 /nfs/dbraw/zinc/00/50/49/139005049.db2.gz VJPLQVWGDOPLKO-AWEZNQCLSA-N 0 0 340.354 1.845 10 0 EDAERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000195232389 139010886 /nfs/dbraw/zinc/01/08/86/139010886.db2.gz JMRFVTNVPQYYCG-IXDOHACOSA-N 0 0 333.407 1.798 10 0 EDAERN Cc1csc([C@@H]2CN(CC(=O)N(C)c3nccs3)CCO2)n1 ZINC000195395949 139015720 /nfs/dbraw/zinc/01/57/20/139015720.db2.gz ZBWBNVDTEZIHSE-NSHDSACASA-N 0 0 338.458 1.944 10 0 EDAERN COc1ccc2nc([N-]S(=O)(=O)[C@@H]3CCC[NH2+]C3)sc2c1 ZINC000049641157 214023890 /nfs/dbraw/zinc/02/38/90/214023890.db2.gz XMWSGYBSVWJCFE-SNVBAGLBSA-N 0 0 327.431 1.799 10 0 EDAERN COC(=O)[C@H](C)NC[C@H](O)COc1ccc(Br)cc1 ZINC000049360360 214002840 /nfs/dbraw/zinc/00/28/40/214002840.db2.gz XCWNSGVFSRJKEA-ONGXEEELSA-N 0 0 332.194 1.340 10 0 EDAERN COC(=O)[C@H](C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000049351822 214002922 /nfs/dbraw/zinc/00/29/22/214002922.db2.gz RVQSUXYFQQXOGQ-YFKPBYRVSA-N 0 0 327.189 1.415 10 0 EDAERN CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nccn1CC ZINC000195519825 139019436 /nfs/dbraw/zinc/01/94/36/139019436.db2.gz RBWVWGYTANXPNG-ZDUSSCGKSA-N 0 0 327.450 1.609 10 0 EDAERN Cc1nnc2sc(CCNS(=O)(=O)c3cccs3)nn12 ZINC000049721737 214029180 /nfs/dbraw/zinc/02/91/80/214029180.db2.gz RAOVVPGWBQAMQX-UHFFFAOYSA-N 0 0 329.432 1.077 10 0 EDAERN CCCS(=O)(=O)N1CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC000049719106 214029258 /nfs/dbraw/zinc/02/92/58/214029258.db2.gz JBFLNIOHGRVZOI-UHFFFAOYSA-N 0 0 326.462 1.861 10 0 EDAERN C[C@@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)N1CCNC(=O)C1 ZINC000019233119 212007851 /nfs/dbraw/zinc/00/78/51/212007851.db2.gz PSBZIZQUTZDSGP-ZETCQYMHSA-N 0 0 331.203 1.334 10 0 EDAERN COc1c(F)cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc1F ZINC000078995146 217169142 /nfs/dbraw/zinc/16/91/42/217169142.db2.gz ZOQXZXHLLCMVAD-ZANVPECISA-N 0 0 342.342 1.579 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N[C@@H]1CCCSC1 ZINC000136416019 223647294 /nfs/dbraw/zinc/64/72/94/223647294.db2.gz WZHOFAKZXRNTBM-LLVKDONJSA-N 0 0 330.500 1.803 10 0 EDAERN O=Cc1ccccc1OCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110878270 220073967 /nfs/dbraw/zinc/07/39/67/220073967.db2.gz ZLGPHSVAWOSCKF-CQSZACIVSA-N 0 0 332.381 1.935 10 0 EDAERN CC(C)(C)C(=O)NCCCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110885883 220075539 /nfs/dbraw/zinc/07/55/39/220075539.db2.gz QQMNUZQMUYDPAI-LBPRGKRZSA-N 0 0 339.461 1.986 10 0 EDAERN COc1cccc(OCC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111086318 220098545 /nfs/dbraw/zinc/09/85/45/220098545.db2.gz ILVKOPUGJJOGSY-INIZCTEOSA-N 0 0 331.372 1.198 10 0 EDAERN CCSc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)ccn1 ZINC000111086661 220098745 /nfs/dbraw/zinc/09/87/45/220098745.db2.gz RQBKGSWUNHZPFH-AWEZNQCLSA-N 0 0 332.429 1.931 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000111091090 220099821 /nfs/dbraw/zinc/09/98/21/220099821.db2.gz YTWXTLIURSRHIA-JTQLQIEISA-N 0 0 325.328 1.822 10 0 EDAERN O=C1[C@H](N2CC[C@@H](CNc3ccccn3)C2)CCN1CC(F)(F)F ZINC000111212903 220109514 /nfs/dbraw/zinc/10/95/14/220109514.db2.gz FCIHNGKCYGUNPS-QWHCGFSZSA-N 0 0 342.365 1.979 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000081073758 217357975 /nfs/dbraw/zinc/35/79/75/217357975.db2.gz ONHNQRUZFZBOQD-CQSZACIVSA-N 0 0 334.401 1.603 10 0 EDAERN O=C(NCCCc1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111792621 220191875 /nfs/dbraw/zinc/19/18/75/220191875.db2.gz AFUWPHCJWGEVSI-QGZVFWFLSA-N 0 0 328.416 1.926 10 0 EDAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H]2CCCO2)C1 ZINC000245392802 139071554 /nfs/dbraw/zinc/07/15/54/139071554.db2.gz UUDKKVGJXQNRHP-SOUVJXGZSA-N 0 0 325.453 1.892 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(O)cc3O)CC2)n1 ZINC000112034824 220231734 /nfs/dbraw/zinc/23/17/34/220231734.db2.gz QPPBZFTZFPEONI-NSHDSACASA-N 0 0 346.387 1.562 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(c2ccc3nccnc3n2)CC1 ZINC000112080499 220240682 /nfs/dbraw/zinc/24/06/82/220240682.db2.gz SPGCVRRRYKTWDP-UHFFFAOYSA-N 0 0 337.431 1.697 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000245703391 139083747 /nfs/dbraw/zinc/08/37/47/139083747.db2.gz ZTFRCMHRJGMZMM-UAGQMJEPSA-N 0 0 345.443 1.902 10 0 EDAERN CCC[C@H](CNC(=O)[C@@H]1CC[C@H](C)O1)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000246016116 139092492 /nfs/dbraw/zinc/09/24/92/139092492.db2.gz LULUBOYDNDNKEG-VYDRJRHOSA-N 0 0 326.437 1.523 10 0 EDAERN CC[C@H]1CN(C(=O)CSCc2cscn2)CCN1C[C@H](C)O ZINC000246121548 139095497 /nfs/dbraw/zinc/09/54/97/139095497.db2.gz PFTJJBDSWAMDHD-JSGCOSHPSA-N 0 0 343.518 1.680 10 0 EDAERN COC[C@@H](C)C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246142213 139096542 /nfs/dbraw/zinc/09/65/42/139096542.db2.gz NZKJTJRZEPBWPX-KFWWJZLASA-N 0 0 348.443 1.835 10 0 EDAERN C[C@H]1CS(=O)(=O)CCN1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246145662 139096626 /nfs/dbraw/zinc/09/66/26/139096626.db2.gz DYQAQIMDUDDKTF-SWLSCSKDSA-N 0 0 347.864 1.336 10 0 EDAERN COCCN1CCN([C@H]2CCN(c3ccccc3OC)C2=O)C[C@@H]1C ZINC000246319297 139103974 /nfs/dbraw/zinc/10/39/74/139103974.db2.gz WVTDPFZINLCLAN-RDJZCZTQSA-N 0 0 347.459 1.453 10 0 EDAERN CC[C@H]1CN(C(=O)Cc2cc(F)ccc2F)CC[N@@H+]1C[C@H](C)O ZINC000246885130 139125553 /nfs/dbraw/zinc/12/55/53/139125553.db2.gz ORWHZLIXABRTEH-WFASDCNBSA-N 0 0 326.387 1.811 10 0 EDAERN Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000246925439 139127361 /nfs/dbraw/zinc/12/73/61/139127361.db2.gz JDGWBBRTNHXQOD-HUUCEWRRSA-N 0 0 335.423 1.868 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccccc1F ZINC000088816974 217770876 /nfs/dbraw/zinc/77/08/76/217770876.db2.gz QBPRDGCFPBBPND-GFCCVEGCSA-N 0 0 331.351 1.569 10 0 EDAERN CC[C@@H]1CN(C[C@@H](O)COCc2cccs2)CC[N@@H+]1C[C@H](C)O ZINC000247106007 139135765 /nfs/dbraw/zinc/13/57/65/139135765.db2.gz IRELVPBVEHGUDW-ARFHVFGLSA-N 0 0 342.505 1.403 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000247195336 139140012 /nfs/dbraw/zinc/14/00/12/139140012.db2.gz ZSJOPWNHAFBYPF-RRCSTGOVSA-N 0 0 337.464 1.890 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000247390580 139147333 /nfs/dbraw/zinc/14/73/33/139147333.db2.gz XBNTYIGIFIAGBV-IAGOWNOFSA-N 0 0 345.487 1.612 10 0 EDAERN CO[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)c1cccc(Cl)c1 ZINC000247496110 139150523 /nfs/dbraw/zinc/15/05/23/139150523.db2.gz WPMDDFLWVBWOHS-LSDHHAIUSA-N 0 0 341.839 1.657 10 0 EDAERN O=C1[C@@H](N2CCCN(c3cccnn3)CC2)CCN1CC(F)(F)F ZINC000247493087 139150563 /nfs/dbraw/zinc/15/05/63/139150563.db2.gz HCXMDSGMZRPVDS-LBPRGKRZSA-N 0 0 343.353 1.152 10 0 EDAERN CC(C)[C@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000248270330 139159929 /nfs/dbraw/zinc/15/99/29/139159929.db2.gz PXMLTONZLRSFGK-NSHDSACASA-N 0 0 346.474 1.543 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)NCCCO)c2cccs2)CCO1 ZINC000248342654 139160299 /nfs/dbraw/zinc/16/02/99/139160299.db2.gz JQUIFJXMJISNKS-CHWSQXEVSA-N 0 0 327.450 1.192 10 0 EDAERN CC(C)(C)CN1C[C@H](NC(=O)Cc2cn3ccsc3n2)CC1=O ZINC000012204367 211319639 /nfs/dbraw/zinc/31/96/39/211319639.db2.gz BFFIRTDSNQVXJN-GFCCVEGCSA-N 0 0 334.445 1.702 10 0 EDAERN CCCNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000012024003 211281842 /nfs/dbraw/zinc/28/18/42/211281842.db2.gz LFOZLFVQFSXVCC-SECBINFHSA-N 0 0 344.820 1.792 10 0 EDAERN C[C@H](C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1)n1cncn1 ZINC000248629016 139169003 /nfs/dbraw/zinc/16/90/03/139169003.db2.gz VXZOCPGAKSDMEX-RFGFWPKPSA-N 0 0 349.435 1.601 10 0 EDAERN O=S(=O)(CCN1CCN2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000248708228 139172686 /nfs/dbraw/zinc/17/26/86/139172686.db2.gz BHVQVHPHFXWJTE-HNNXBMFYSA-N 0 0 326.437 1.770 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000248806077 139175994 /nfs/dbraw/zinc/17/59/94/139175994.db2.gz RGRZSFHJVQQQBW-LSDHHAIUSA-N 0 0 340.464 1.820 10 0 EDAERN COC(=O)c1sc(NC(=O)COc2ccccc2)c(C(N)=O)c1C ZINC000009472464 211087373 /nfs/dbraw/zinc/08/73/73/211087373.db2.gz SYVUYIHQQMOFMJ-UHFFFAOYSA-N 0 0 348.380 1.960 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)c2ncc(F)cn2)C1 ZINC000095084230 218275613 /nfs/dbraw/zinc/27/56/13/218275613.db2.gz IWHYCGYAOOPSHC-SNVBAGLBSA-N 0 0 345.396 1.646 10 0 EDAERN CN(Cc1ccon1)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000096152661 218629645 /nfs/dbraw/zinc/62/96/45/218629645.db2.gz DYKRULODHVRBHS-HNNXBMFYSA-N 0 0 327.384 1.724 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)[C@@H]3CCC(=O)C[C@@H]3C)CC2)n1 ZINC000152996948 224043539 /nfs/dbraw/zinc/04/35/39/224043539.db2.gz NSFASZCDJYIWLN-DZGCQCFKSA-N 0 0 346.431 1.529 10 0 EDAERN Cc1cc(C)c(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c(C)c1 ZINC000186179887 291819533 /nfs/dbraw/zinc/81/95/33/291819533.db2.gz XEOUTMXXVNIFGP-UHFFFAOYSA-N 0 0 336.457 1.901 10 0 EDAERN C[NH2+][C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)C1 ZINC000134211604 533023505 /nfs/dbraw/zinc/02/35/05/533023505.db2.gz NHWRKGHSDKSNLO-NSHDSACASA-N 0 0 345.852 1.536 10 0 EDAERN COCCNc1nc(N)c(C(=O)N2CCSC(C)(C)C2)s1 ZINC000163686888 533034268 /nfs/dbraw/zinc/03/42/68/533034268.db2.gz NZMTVJMNUJLBOX-UHFFFAOYSA-N 0 0 330.479 1.751 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCS(=O)(=O)CC)CC2)cn1 ZINC000153527505 224117893 /nfs/dbraw/zinc/11/78/93/224117893.db2.gz PPEPMMMIAUYKPR-UHFFFAOYSA-N 0 0 342.465 1.227 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000167914502 533087303 /nfs/dbraw/zinc/08/73/03/533087303.db2.gz VLUTUYJGWDXFDF-PSASIEDQSA-N 0 0 344.209 1.108 10 0 EDAERN CCOc1ccccc1OCCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112649678 220364415 /nfs/dbraw/zinc/36/44/15/220364415.db2.gz XWJNTAVPUMKDME-AWEZNQCLSA-N 0 0 344.415 1.967 10 0 EDAERN O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112656351 220365473 /nfs/dbraw/zinc/36/54/73/220365473.db2.gz OSSACEUKNKKGGA-LLVKDONJSA-N 0 0 340.305 1.807 10 0 EDAERN CCCc1c(C(=O)N[C@@H]2CCc3ncnn3C2)[nH]c(C)c1C(=O)OC ZINC000112660065 220367099 /nfs/dbraw/zinc/36/70/99/220367099.db2.gz YYGGLJXVOAHZHB-LLVKDONJSA-N 0 0 345.403 1.399 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000112658732 220367170 /nfs/dbraw/zinc/36/71/70/220367170.db2.gz AHRFABCBNHXKGV-GOEBONIOSA-N 0 0 342.399 1.581 10 0 EDAERN CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112661470 220368818 /nfs/dbraw/zinc/36/88/18/220368818.db2.gz GXZVMPDQUHUGJS-AWEZNQCLSA-N 0 0 342.399 1.771 10 0 EDAERN C[C@@H](NC(=O)NCCNC(=O)c1c(F)cccc1F)[C@@H]1CCCO1 ZINC000112715211 220384599 /nfs/dbraw/zinc/38/45/99/220384599.db2.gz VUJVZVCKSJWWSH-MFKMUULPSA-N 0 0 341.358 1.561 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1Cc3ccccc3C(=O)O1)CC2 ZINC000114870213 220771672 /nfs/dbraw/zinc/77/16/72/220771672.db2.gz UDRYNEVDUPUBQI-GXTWGEPZSA-N 0 0 340.383 1.053 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(Cl)ccc1Cl ZINC000154112963 224204704 /nfs/dbraw/zinc/20/47/04/224204704.db2.gz KLKVRUNUDCZLAF-LLVKDONJSA-N 0 0 333.215 1.416 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CCS(=O)(=O)C3CCCC3)C2)cn1 ZINC000116115255 220930627 /nfs/dbraw/zinc/93/06/27/220930627.db2.gz ACOGCYUOFAYCRY-CYBMUJFWSA-N 0 0 339.461 1.484 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)cn1 ZINC000116123042 220932485 /nfs/dbraw/zinc/93/24/85/220932485.db2.gz ZGUXCEFGACMXAB-GFCCVEGCSA-N 0 0 326.356 1.381 10 0 EDAERN Cc1cc(N2CC[C@@H](N3CCCc4c(N)cccc43)C2=O)n(C)n1 ZINC000261866114 291939419 /nfs/dbraw/zinc/93/94/19/291939419.db2.gz NUPNWHUSTDHNCR-MRXNPFEDSA-N 0 0 325.416 1.869 10 0 EDAERN CCCCOCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117040213 221026730 /nfs/dbraw/zinc/02/67/30/221026730.db2.gz HCEXQUHFNLGBPV-SFHVURJKSA-N 0 0 349.475 1.864 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCN1CCOC ZINC000117371979 221058686 /nfs/dbraw/zinc/05/86/86/221058686.db2.gz PZSRGCHPDSPCCP-GFCCVEGCSA-N 0 0 348.415 1.696 10 0 EDAERN COCCN1CCN(C(=O)NCCOc2cccc(C)c2)C[C@H]1C ZINC000117398337 221059570 /nfs/dbraw/zinc/05/95/70/221059570.db2.gz DOUXZVJCEBFFPJ-MRXNPFEDSA-N 0 0 335.448 1.736 10 0 EDAERN COCCN1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000117285092 221044128 /nfs/dbraw/zinc/04/41/28/221044128.db2.gz AHGWSEMLNBEPRS-LSDHHAIUSA-N 0 0 348.447 1.376 10 0 EDAERN COCCN1CCN(C(=O)c2cc3ccccc3oc2=O)C[C@H]1C ZINC000117288378 221046023 /nfs/dbraw/zinc/04/60/23/221046023.db2.gz YSOGXVNMLRXVSL-CYBMUJFWSA-N 0 0 330.384 1.586 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(OC)c2OC)CCN1CCOC ZINC000117299888 221048770 /nfs/dbraw/zinc/04/87/70/221048770.db2.gz DKQCBBUFXBCCOV-CQSZACIVSA-N 0 0 336.432 1.887 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000117522588 221073938 /nfs/dbraw/zinc/07/39/38/221073938.db2.gz HEIPLLYTGFXENS-OAHLLOKOSA-N 0 0 333.432 1.421 10 0 EDAERN CCOc1ncccc1CNC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117476732 221067843 /nfs/dbraw/zinc/06/78/43/221067843.db2.gz YKNWHBCUULQTLT-AWEZNQCLSA-N 0 0 336.436 1.342 10 0 EDAERN COCCN1CCN(C(=O)NCCc2cccc(OC)c2)C[C@@H]1C ZINC000117475978 221067892 /nfs/dbraw/zinc/06/78/92/221067892.db2.gz KWCVOJAJQLHUDC-HNNXBMFYSA-N 0 0 335.448 1.600 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cc(-n3cnnn3)ccc2C)c1 ZINC000118012064 221105709 /nfs/dbraw/zinc/10/57/09/221105709.db2.gz MLCFKQNPAWSFPN-UHFFFAOYSA-N 0 0 326.364 1.297 10 0 EDAERN Cc1cnn(CCNC(=O)CN2c3ccccc3O[C@H](C)C2=O)c1 ZINC000117812317 221091681 /nfs/dbraw/zinc/09/16/81/221091681.db2.gz NXCPZBVPRGSIHL-CYBMUJFWSA-N 0 0 328.372 1.122 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000118074607 221111746 /nfs/dbraw/zinc/11/17/46/221111746.db2.gz XCGSRLXXGNCGAN-CYBMUJFWSA-N 0 0 337.424 1.500 10 0 EDAERN Cc1cnn(CCNC(=O)NCCC(=O)NCc2ccccc2)c1 ZINC000118068155 221112210 /nfs/dbraw/zinc/11/22/10/221112210.db2.gz FEOBZGDYMDQBJD-UHFFFAOYSA-N 0 0 329.404 1.197 10 0 EDAERN O=C1Nc2cc(N3CCSCC3)c(Br)cc2[C@H]1O ZINC000118589363 221159930 /nfs/dbraw/zinc/15/99/30/221159930.db2.gz NWFGHJMKCUGSIW-LLVKDONJSA-N 0 0 329.219 1.988 10 0 EDAERN CC(C)NC(=O)c1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000119197837 221264243 /nfs/dbraw/zinc/26/42/43/221264243.db2.gz VOKVQLFVPLXNHG-KRWDZBQOSA-N 0 0 345.443 1.372 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H](C)CC(C)(C)OC)CCO2)[nH]1 ZINC000119314552 221292048 /nfs/dbraw/zinc/29/20/48/221292048.db2.gz WAPIWONXZQMQGO-NWDGAFQWSA-N 0 0 339.440 1.654 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cc2c(OC)cccc2OC)CC1 ZINC000119387309 221309212 /nfs/dbraw/zinc/30/92/12/221309212.db2.gz NLCPRWVEJVJHAM-AWEZNQCLSA-N 0 0 336.432 1.161 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119416343 221314774 /nfs/dbraw/zinc/31/47/74/221314774.db2.gz HRHKRKKRVOQTDY-KDOFPFPSSA-N 0 0 330.432 1.844 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000119480210 221329845 /nfs/dbraw/zinc/32/98/45/221329845.db2.gz MIPWWESRZIFHJC-UHFFFAOYSA-N 0 0 327.388 1.468 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(I)c[nH]1 ZINC000155130877 224363228 /nfs/dbraw/zinc/36/32/28/224363228.db2.gz BOHMSYZWUPMBGI-HTQZYQBOSA-N 0 0 334.157 1.869 10 0 EDAERN O=C(Nc1cccnc1)[C@@H]1C[C@H]2CCN(c3nncs3)C[C@@H]2O1 ZINC000247475060 257682167 /nfs/dbraw/zinc/68/21/67/257682167.db2.gz GUKLLEHQIDUAHB-WXHSDQCUSA-N 0 0 331.401 1.556 10 0 EDAERN Fc1ccc(CN2CCOCC23CCN(CC2=NC=NC2)CC3)cc1 ZINC000503719114 257830696 /nfs/dbraw/zinc/83/06/96/257830696.db2.gz YDWLZMUGJZUAGJ-UHFFFAOYSA-N 0 0 344.434 1.975 10 0 EDAERN COCc1ccc(CNC(=O)CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171619644 533246848 /nfs/dbraw/zinc/24/68/48/533246848.db2.gz OQDXRVSJZSKQNS-QGZVFWFLSA-N 0 0 343.431 1.378 10 0 EDAERN CS(=O)(=O)CCC[C@H](Cc1ccc(Br)cc1)NN ZINC000166100871 533355350 /nfs/dbraw/zinc/35/53/50/533355350.db2.gz IGFRLQKHTDWKKU-GFCCVEGCSA-N 0 0 335.267 1.648 10 0 EDAERN CS(=O)(=O)CS(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000164185325 533364002 /nfs/dbraw/zinc/36/40/02/533364002.db2.gz GRJCKBIGKFHOJC-UHFFFAOYSA-N 0 0 346.199 1.332 10 0 EDAERN COc1ccc(C(=O)NC[C@H](C)[S@](C)=O)cc1Br ZINC000152609456 533331358 /nfs/dbraw/zinc/33/13/58/533331358.db2.gz IJGLUXWDVXFNSF-DCXZOGHSSA-N 0 0 334.235 1.955 10 0 EDAERN CS(=O)(=O)[C@@H]1CCC[C@@H](S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165451012 533429041 /nfs/dbraw/zinc/42/90/41/533429041.db2.gz MEIURILREIHTKO-GHMZBOCLSA-N 0 0 335.422 1.537 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000171380958 533544563 /nfs/dbraw/zinc/54/45/63/533544563.db2.gz SHBCIFNJLSKKMW-GJZGRUSLSA-N 0 0 331.416 1.887 10 0 EDAERN CSCC[C@H](C)Nc1cnn(CCO)c(=O)c1Br ZINC000158623107 533639830 /nfs/dbraw/zinc/63/98/30/533639830.db2.gz LGVVXDSSXTYNMC-QMMMGPOBSA-N 0 0 336.255 1.552 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccnc1N1CCOCC1 ZINC000081595370 132818190 /nfs/dbraw/zinc/81/81/90/132818190.db2.gz HVHFCOLGPIFAIE-AWEZNQCLSA-N 0 0 342.403 1.083 10 0 EDAERN O=C(c1cncc(-n2ccnn2)c1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000328702836 140671406 /nfs/dbraw/zinc/67/14/06/140671406.db2.gz NXJMLIJZJFWTNM-CYBMUJFWSA-N 0 0 341.293 1.192 10 0 EDAERN O=C(CNS(=O)(=O)c1cnc2ccc(F)cc2c1)N1CCCC1 ZINC000329184142 140699541 /nfs/dbraw/zinc/69/95/41/140699541.db2.gz FWNBYGVZQHYQJJ-UHFFFAOYSA-N 0 0 337.376 1.275 10 0 EDAERN O=C(C1CCCC1)N1CC(S(=O)(=O)NCCC2CCOCC2)C1 ZINC000329706924 140753664 /nfs/dbraw/zinc/75/36/64/140753664.db2.gz LFZYFBXLTYYDHU-UHFFFAOYSA-N 0 0 344.477 1.124 10 0 EDAERN Cn1cnc2cc(C(=O)N3CCOCC4(CCOCC4)C3)cnc21 ZINC000329723578 140755797 /nfs/dbraw/zinc/75/57/97/140755797.db2.gz CUVCSRURZLXZKD-UHFFFAOYSA-N 0 0 330.388 1.238 10 0 EDAERN C[C@@H](NC(=O)c1ccc(O[C@H]2CCOC2)cc1)C(=O)N1CCCCC1 ZINC000329841318 140770183 /nfs/dbraw/zinc/77/01/83/140770183.db2.gz KANWJPMOSAVVKV-PBHICJAKSA-N 0 0 346.427 1.985 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)C1 ZINC000333070175 141258651 /nfs/dbraw/zinc/25/86/51/141258651.db2.gz ACGIIZDWBTWWDX-ZQIUZPCESA-N 0 0 338.452 1.389 10 0 EDAERN Cc1nc2c(nccc2C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)[nH]1 ZINC000333186331 141277814 /nfs/dbraw/zinc/27/78/14/141277814.db2.gz UHZHTQNOMYXFKC-DZGCQCFKSA-N 0 0 340.387 1.650 10 0 EDAERN CO[C@@H]1CN(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)C[C@H]1OC ZINC000333285014 141292810 /nfs/dbraw/zinc/29/28/10/141292810.db2.gz KGORTEDTTFAUON-MRVWCRGKSA-N 0 0 338.408 1.192 10 0 EDAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC000333714760 141364092 /nfs/dbraw/zinc/36/40/92/141364092.db2.gz HBIPOVAXRHYABK-LUKYLMHMSA-N 0 0 349.452 1.513 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N(C)CC(F)(F)F)CC2)nn1 ZINC000105801645 292130116 /nfs/dbraw/zinc/13/01/16/292130116.db2.gz RGOCXAUXODQXHQ-UHFFFAOYSA-N 0 0 345.369 1.318 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](CO)CC(C)C)C12CCOCC2 ZINC000248698091 286364951 /nfs/dbraw/zinc/36/49/51/286364951.db2.gz KDZOUGDLCVBBFP-QLFBSQMISA-N 0 0 328.453 1.667 10 0 EDAERN COc1cccc(CC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)n1 ZINC000328745483 161606100 /nfs/dbraw/zinc/60/61/00/161606100.db2.gz KXGKZJVXASGJOY-AWEZNQCLSA-N 0 0 349.456 1.199 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1)C1CC1 ZINC000072608820 287254437 /nfs/dbraw/zinc/25/44/37/287254437.db2.gz RNBIEPIGSFENJN-NSHDSACASA-N 0 0 332.404 1.040 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1 ZINC000079297762 287299668 /nfs/dbraw/zinc/29/96/68/287299668.db2.gz JQTXPLPPXZJLAG-GFCCVEGCSA-N 0 0 348.794 1.056 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cnc2sccn2c1=O ZINC000081451443 287313258 /nfs/dbraw/zinc/31/32/58/287313258.db2.gz POCJBESHBNJJPY-VIFPVBQESA-N 0 0 337.401 1.558 10 0 EDAERN COCc1c(Br)cccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000111800276 287338308 /nfs/dbraw/zinc/33/83/08/287338308.db2.gz UYUVTRPCCHUBEI-QMMMGPOBSA-N 0 0 327.178 1.670 10 0 EDAERN O=C(CN1C(=O)C(=O)c2c1cccc2Br)[C@H]1CCOC1 ZINC000158090016 224946320 /nfs/dbraw/zinc/94/63/20/224946320.db2.gz DGVDXKXBQJZSQJ-QMMMGPOBSA-N 0 0 338.157 1.584 10 0 EDAERN COC[C@H](C)S(=O)(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158560387 225042832 /nfs/dbraw/zinc/04/28/32/225042832.db2.gz IUWNIZYBLOHHAG-DRCTWCGVSA-N 0 0 335.372 1.437 10 0 EDAERN Cc1cc(CO)cc(S(=O)(=O)N[C@H]2C[C@H]2C)c1Br ZINC000158611129 225053696 /nfs/dbraw/zinc/05/36/96/225053696.db2.gz FNVVDORCISVOCB-XCBNKYQSSA-N 0 0 334.235 1.937 10 0 EDAERN CCn1c(-c2cc3ccc(F)cc3s2)nnc1S(N)(=O)=O ZINC000158377970 225000977 /nfs/dbraw/zinc/00/09/77/225000977.db2.gz IAVQLDJULNYOFN-UHFFFAOYSA-N 0 0 326.378 1.966 10 0 EDAERN Nc1ccc(N2CCOC[C@@H]2CO)c(I)c1 ZINC000159003641 225126479 /nfs/dbraw/zinc/12/64/79/225126479.db2.gz WMGONGDDCHUEQS-VIFPVBQESA-N 0 0 334.157 1.071 10 0 EDAERN C[C@H]1C[C@@H]1CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000159868480 225294561 /nfs/dbraw/zinc/29/45/61/225294561.db2.gz RTKKGDUCHJVKOW-IONNQARKSA-N 0 0 347.234 1.482 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000162904463 225888799 /nfs/dbraw/zinc/88/87/99/225888799.db2.gz JRTWSNSXBYRHBV-LBPRGKRZSA-N 0 0 327.388 1.667 10 0 EDAERN Cc1ccc(CCNC(=O)N[C@@H](C)c2nnc3n2CCCC3)cn1 ZINC000123756577 287390230 /nfs/dbraw/zinc/39/02/30/287390230.db2.gz QDASKAFUOWQYKL-ZDUSSCGKSA-N 0 0 328.420 1.921 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)Cc1ccccc1Br ZINC000167096584 226180818 /nfs/dbraw/zinc/18/08/18/226180818.db2.gz QWTLAKASUQKYAN-LLVKDONJSA-N 0 0 334.235 1.323 10 0 EDAERN COC[C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165098023 226110107 /nfs/dbraw/zinc/11/01/07/226110107.db2.gz ZFUNXOCDPAMGGV-ZETCQYMHSA-N 0 0 338.788 1.139 10 0 EDAERN Cc1ccc(N)cc1[S@@](=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000165951640 226142785 /nfs/dbraw/zinc/14/27/85/226142785.db2.gz BMTVEYIDWWMWKU-MPBGBICISA-N 0 0 330.475 1.356 10 0 EDAERN C[C@H](O)CCn1cnc(Cl)c(I)c1=O ZINC000166343282 226155208 /nfs/dbraw/zinc/15/52/08/226155208.db2.gz UQLPVXPAYJBGOD-YFKPBYRVSA-N 0 0 328.537 1.272 10 0 EDAERN Nc1cc(Br)cc(C(=O)O[C@H]2CCCCNC2=O)c1 ZINC000166378471 226156195 /nfs/dbraw/zinc/15/61/95/226156195.db2.gz NCRLYCNOGOONKO-NSHDSACASA-N 0 0 327.178 1.857 10 0 EDAERN Cc1nnc2sc(C(=O)NC[C@H](C)[S@](C)=O)c(N)c2c1C ZINC000166483214 226161186 /nfs/dbraw/zinc/16/11/86/226161186.db2.gz VJNQAWCSWDQBMJ-CVQPTBQBSA-N 0 0 326.447 1.387 10 0 EDAERN Cn1nc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)ccc1=O ZINC000168507394 226217845 /nfs/dbraw/zinc/21/78/45/226217845.db2.gz WEEKHKJEOVRXAO-GFCCVEGCSA-N 0 0 325.290 1.684 10 0 EDAERN OC[C@@H]1CN(CC[C@@H](O)c2ccccc2Br)CCO1 ZINC000168752077 226222582 /nfs/dbraw/zinc/22/25/82/226222582.db2.gz JUPIHGPVDUDDAG-SMDDNHRTSA-N 0 0 330.222 1.566 10 0 EDAERN CN(C)C(=O)NCCNc1cccc(Br)c1C(N)=S ZINC000168788338 226223779 /nfs/dbraw/zinc/22/37/79/226223779.db2.gz AWORQQJBBRWNHU-UHFFFAOYSA-N 0 0 345.266 1.766 10 0 EDAERN O=C(Nc1nnc(CCN2C(=O)c3ccccc3C2=O)s1)C1CC1 ZINC000170505047 226624652 /nfs/dbraw/zinc/62/46/52/226624652.db2.gz WNEUXEWPAJOSKJ-UHFFFAOYSA-N 0 0 342.380 1.725 10 0 EDAERN C[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2F)CCS1 ZINC000171430461 227076796 /nfs/dbraw/zinc/07/67/96/227076796.db2.gz YUWZXGCMKHMYHB-NSHDSACASA-N 0 0 325.409 1.702 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)c1ccsc1)CC2 ZINC000120674359 221642664 /nfs/dbraw/zinc/64/26/64/221642664.db2.gz WEVRUUAYZXEWMY-OLZOCXBDSA-N 0 0 349.460 1.811 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3cccc4c3oc(=O)n4C)C2)cn1 ZINC000121815628 221941209 /nfs/dbraw/zinc/94/12/09/221941209.db2.gz SYGANRWTGJFTNX-LLVKDONJSA-N 0 0 326.356 1.495 10 0 EDAERN O=C(c1cncc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000171664952 227206063 /nfs/dbraw/zinc/20/60/63/227206063.db2.gz YMDJCEZWHVXGTG-LBPRGKRZSA-N 0 0 336.193 1.913 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NC(=O)Nc1ccccc1 ZINC000171703315 227231719 /nfs/dbraw/zinc/23/17/19/227231719.db2.gz JMLYWCZRWHEERH-CQSZACIVSA-N 0 0 328.376 1.263 10 0 EDAERN CN(C)c1c(Cl)cccc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000171706008 227234844 /nfs/dbraw/zinc/23/48/44/227234844.db2.gz CVFTWOBEWNYWIA-NSHDSACASA-N 0 0 326.828 1.858 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1F ZINC000130650209 287496854 /nfs/dbraw/zinc/49/68/54/287496854.db2.gz QNZXXLLLRIZPBT-BXUZGUMPSA-N 0 0 338.379 1.830 10 0 EDAERN CCOC(=O)C1(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CCC1 ZINC000152123857 287606419 /nfs/dbraw/zinc/60/64/19/287606419.db2.gz LNDSWAKGWNSNRC-CYBMUJFWSA-N 0 0 332.404 1.295 10 0 EDAERN CC(C)CCn1nnnc1CN1CCN(C(=O)c2ccco2)CC1 ZINC000020141976 262500518 /nfs/dbraw/zinc/50/05/18/262500518.db2.gz NKFIRYJYTFPZIN-UHFFFAOYSA-N 0 0 332.408 1.270 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@@H](C)Cc3cc(C)n[nH]3)CCO2)c1 ZINC000124941935 267453407 /nfs/dbraw/zinc/45/34/07/267453407.db2.gz YVPYVOBRYNQXAW-XJKSGUPXSA-N 0 0 346.435 1.265 10 0 EDAERN Cn1ncc2c1nnn(C[C@H](O)c1ccc(C(F)(F)F)cc1)c2=O ZINC000133039994 267458943 /nfs/dbraw/zinc/45/89/43/267458943.db2.gz DDHOHJFQTHMSRL-NSHDSACASA-N 0 0 339.277 1.277 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@H](C)Oc1cccc(F)c1)C(C)C ZINC000178411975 267559825 /nfs/dbraw/zinc/55/98/25/267559825.db2.gz BVGILYBPQHBIBV-SMDDNHRTSA-N 0 0 325.384 1.663 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)C(C)C ZINC000178402199 267560276 /nfs/dbraw/zinc/56/02/76/267560276.db2.gz XOQAQWNTJFDPPK-OAHLLOKOSA-N 0 0 331.420 1.565 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1)C(C)C ZINC000178588786 267571952 /nfs/dbraw/zinc/57/19/52/267571952.db2.gz ODXABFXHLNZZGQ-IAGOWNOFSA-N 0 0 347.459 1.777 10 0 EDAERN CNC(=O)c1cccc(CCNC(=O)C2CCC(C(=O)OC)CC2)c1 ZINC000179509618 267623515 /nfs/dbraw/zinc/62/35/15/267623515.db2.gz QEFFTBPVGSQUHC-UHFFFAOYSA-N 0 0 346.427 1.684 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nncn2C)cc1OC ZINC000046961924 272913029 /nfs/dbraw/zinc/91/30/29/272913029.db2.gz JAPGJTXHRIEDHX-MNOVXSKESA-N 0 0 333.392 1.954 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)C12CCOCC2 ZINC000187110804 272948525 /nfs/dbraw/zinc/94/85/25/272948525.db2.gz YCTKPRWWTMIPJK-CHWSQXEVSA-N 0 0 338.429 1.551 10 0 EDAERN CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171987120 275963655 /nfs/dbraw/zinc/96/36/55/275963655.db2.gz UXXIAVXTZOKSBL-QAPCUYQASA-N 0 0 345.443 1.579 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000189463668 276595638 /nfs/dbraw/zinc/59/56/38/276595638.db2.gz JMSLXEYIBZZZKY-INIZCTEOSA-N 0 0 333.432 1.157 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000182144644 276596227 /nfs/dbraw/zinc/59/62/27/276596227.db2.gz CRFBTWWIMHONSW-AWEZNQCLSA-N 0 0 326.828 1.333 10 0 EDAERN COc1cc2c(c3oc(=O)c4c(c13)[C@@H](O)CC4=O)[C@@H]1C=CO[C@@H]1O2 ZINC000006017736 277391059 /nfs/dbraw/zinc/39/10/59/277391059.db2.gz GYNOTJLCULOEIM-XKRJZGAWSA-N 0 0 328.276 1.767 10 0 endogenous,in-man EDAERN COc1cccc(C(=O)N2CCCN(c3cccnn3)CC2)c1O ZINC000105867921 277451905 /nfs/dbraw/zinc/45/19/05/277451905.db2.gz QRYOQOVMFXUKFT-UHFFFAOYSA-N 0 0 328.372 1.543 10 0 EDAERN CC1([C@@H]2CCCN(C(=O)N[C@@H]3CCCn4ncnc43)C2)OCCO1 ZINC000182845424 278474695 /nfs/dbraw/zinc/47/46/95/278474695.db2.gz RYKGUEOJYOJDNJ-CHWSQXEVSA-N 0 0 335.408 1.298 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)C[C@H](C)O1 ZINC000176955030 279785893 /nfs/dbraw/zinc/78/58/93/279785893.db2.gz FYBNEJYRJJOTNK-QWRGUYRKSA-N 0 0 339.823 1.980 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC000245594893 290108299 /nfs/dbraw/zinc/10/82/99/290108299.db2.gz BQNDBDSCBRZVAZ-KSZLIROESA-N 0 0 347.459 1.615 10 0 EDAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091782412 293142901 /nfs/dbraw/zinc/14/29/01/293142901.db2.gz HVLFROVGCNYQQY-GFCCVEGCSA-N 0 0 331.397 1.445 10 0 EDAERN Cn1nccc1C1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000111212469 294584980 /nfs/dbraw/zinc/58/49/80/294584980.db2.gz CJALIWOWMAUNCV-ZDUSSCGKSA-N 0 0 330.354 1.763 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000091783035 295119072 /nfs/dbraw/zinc/11/90/72/295119072.db2.gz IHGQTTFIHACYQX-RYUDHWBXSA-N 0 0 330.306 1.435 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)c(F)cc1F ZINC000192200082 295119806 /nfs/dbraw/zinc/11/98/06/295119806.db2.gz QIYHNUVSPQRLLA-JTQLQIEISA-N 0 0 349.131 1.054 10 0 EDAERN CNC(=O)c1ccc([C@H]2CCCCN2C(=O)Cc2cc(C)on2)n1C ZINC000372847260 447313768 /nfs/dbraw/zinc/31/37/68/447313768.db2.gz QGENGDMZKPLBRY-OAHLLOKOSA-N 0 0 344.415 1.977 10 0 EDAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCCc2c(N)cccc21 ZINC000230846733 303049316 /nfs/dbraw/zinc/04/93/16/303049316.db2.gz CHGLMUYHGWPWNH-UHFFFAOYSA-N 0 0 326.809 1.797 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1)C1CC1 ZINC000251724944 303747664 /nfs/dbraw/zinc/74/76/64/303747664.db2.gz MDEJWMJTYNYIMJ-RRFJBIMHSA-N 0 0 333.432 1.254 10 0 EDAERN CCn1nccc1CN1CC[C@](NC(C)=O)(c2nc(C)cs2)C1 ZINC000547690725 306108234 /nfs/dbraw/zinc/10/82/34/306108234.db2.gz ACFCFMPSEDUGJP-MRXNPFEDSA-N 0 0 333.461 1.905 10 0 EDAERN CC[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000044894538 440901681 /nfs/dbraw/zinc/90/16/81/440901681.db2.gz BYDFIVLABAMVDW-ZDUSSCGKSA-N 0 0 331.372 1.045 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000046826084 441127848 /nfs/dbraw/zinc/12/78/48/441127848.db2.gz BYMVEBQOLYSTOL-IPYPFGDCSA-N 0 0 333.432 1.424 10 0 EDAERN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CC(n2cccn2)C1 ZINC000057800427 441136118 /nfs/dbraw/zinc/13/61/18/441136118.db2.gz BKYFZRDJEUWOQR-LBPRGKRZSA-N 0 0 328.347 1.459 10 0 EDAERN CCCOCc1ccccc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104784642 441207789 /nfs/dbraw/zinc/20/77/89/441207789.db2.gz DFGKXBAANKCCSG-QGZVFWFLSA-N 0 0 335.448 1.743 10 0 EDAERN C[C@H](NC(=O)Cc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000017852327 441244974 /nfs/dbraw/zinc/24/49/74/441244974.db2.gz YXHUQRMWVFYSDR-NSHDSACASA-N 0 0 336.388 1.893 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000105532727 441257999 /nfs/dbraw/zinc/25/79/99/441257999.db2.gz GHQNFMOMPOXSKY-SECBINFHSA-N 0 0 343.305 1.170 10 0 EDAERN Cc1ncc(CN2CCN(CC(=O)NC(C3CC3)C3CC3)CC2)s1 ZINC000105814131 441277003 /nfs/dbraw/zinc/27/70/03/441277003.db2.gz GAWRRVOWJZGFHF-UHFFFAOYSA-N 0 0 348.516 1.874 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105850275 441292040 /nfs/dbraw/zinc/29/20/40/441292040.db2.gz BKFGHLOAAPRSNW-KBPBESRZSA-N 0 0 335.452 1.928 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC000105861802 441293187 /nfs/dbraw/zinc/29/31/87/441293187.db2.gz MAFQUIIWAZZOTD-LBPRGKRZSA-N 0 0 335.452 1.555 10 0 EDAERN CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081580728 441293196 /nfs/dbraw/zinc/29/31/96/441293196.db2.gz UMWHZTWHPGPIAZ-KGLIPLIRSA-N 0 0 333.436 1.719 10 0 EDAERN CCCCOCCNC(=O)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106372463 441335663 /nfs/dbraw/zinc/33/56/63/441335663.db2.gz KADAVKDRAAICIJ-UHFFFAOYSA-N 0 0 336.480 1.835 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000106393258 441337270 /nfs/dbraw/zinc/33/72/70/441337270.db2.gz XVJOTPINARAEHD-DOTOQJQBSA-N 0 0 341.496 1.088 10 0 EDAERN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869068 441299294 /nfs/dbraw/zinc/29/92/94/441299294.db2.gz SURFSVYCOVZWPE-AEFFLSMTSA-N 0 0 347.507 1.623 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)Cc3ccccc3O)CC2)cn1 ZINC000105874983 441304040 /nfs/dbraw/zinc/30/40/40/441304040.db2.gz ZCCBONGRWLNPQJ-UHFFFAOYSA-N 0 0 328.416 1.403 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000105894199 441311196 /nfs/dbraw/zinc/31/11/96/441311196.db2.gz FIFADLBIYWEEEU-UONOGXRCSA-N 0 0 340.468 1.487 10 0 EDAERN COCCN1CCN(CC(=O)N(C)Cc2cccs2)C[C@H]1C ZINC000105913941 441314950 /nfs/dbraw/zinc/31/49/50/441314950.db2.gz POQBXGPZYIYEAG-CQSZACIVSA-N 0 0 325.478 1.359 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1nc2ccccc2n1C ZINC000083695786 441367941 /nfs/dbraw/zinc/36/79/41/441367941.db2.gz BMTLOIBWEDTYMH-ZDUSSCGKSA-N 0 0 339.403 1.808 10 0 EDAERN C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)[C@@H]1CCCO1 ZINC000027868644 441416703 /nfs/dbraw/zinc/41/67/03/441416703.db2.gz MCTROVJMOXZYOG-WFASDCNBSA-N 0 0 330.384 1.633 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 ZINC000027403343 441401899 /nfs/dbraw/zinc/40/18/99/441401899.db2.gz MHRHKTADVULYHU-INIZCTEOSA-N 0 0 340.383 1.863 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(C)cc1 ZINC000086990686 441474504 /nfs/dbraw/zinc/47/45/04/441474504.db2.gz OWSMNXUPIYYJSC-CYBMUJFWSA-N 0 0 327.388 1.739 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1cccc(OC)c1 ZINC000088196448 441494694 /nfs/dbraw/zinc/49/46/94/441494694.db2.gz HFJQGSXHAIXHBR-AWEZNQCLSA-N 0 0 330.388 1.879 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)c1nnc2ccccc2c1N ZINC000074677033 441456462 /nfs/dbraw/zinc/45/64/62/441456462.db2.gz MMONVODXIFMLKY-UHFFFAOYSA-N 0 0 336.417 1.155 10 0 EDAERN O=C(NC[C@H]1Cc2ccccc21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111837080 441542166 /nfs/dbraw/zinc/54/21/66/441542166.db2.gz JSRZUTLYHLVPKJ-HZPDHXFCSA-N 0 0 326.400 1.633 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)Nc2nccn(C)c2=O)[C@H]1c1ccc(F)cc1 ZINC000089918215 441595800 /nfs/dbraw/zinc/59/58/00/441595800.db2.gz PPRQLHGIODRNIL-TZMCWYRMSA-N 0 0 344.346 1.078 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCn1cnc3ccccc31)CC2 ZINC000114864645 441693018 /nfs/dbraw/zinc/69/30/18/441693018.db2.gz LWCVYPMVDAQMMX-CYBMUJFWSA-N 0 0 338.415 1.712 10 0 EDAERN CCOC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000114872552 441694273 /nfs/dbraw/zinc/69/42/73/441694273.db2.gz TYRYJUJJOWCWMW-BXUZGUMPSA-N 0 0 337.424 1.042 10 0 EDAERN C[C@@H](NC(=O)NCCn1cccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000114917978 441697417 /nfs/dbraw/zinc/69/74/17/441697417.db2.gz YCKGZHLFVHDVIF-GFCCVEGCSA-N 0 0 336.417 1.347 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000115373210 441732080 /nfs/dbraw/zinc/73/20/80/441732080.db2.gz MCYWEMURJWQMKY-OAHLLOKOSA-N 0 0 333.407 1.765 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC000115390235 441735321 /nfs/dbraw/zinc/73/53/21/441735321.db2.gz MBFUXZWQFVJWRQ-OAHLLOKOSA-N 0 0 334.464 1.496 10 0 EDAERN CCn1cc(C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000173418118 441743088 /nfs/dbraw/zinc/74/30/88/441743088.db2.gz ISKYIBKCGTVGGA-ZDUSSCGKSA-N 0 0 329.408 1.134 10 0 EDAERN CCCCO[C@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173422191 441745353 /nfs/dbraw/zinc/74/53/53/441745353.db2.gz DOQQJCGHRYEVHP-KGLIPLIRSA-N 0 0 335.452 1.809 10 0 EDAERN CCOCCCCNC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000137116046 441747838 /nfs/dbraw/zinc/74/78/38/441747838.db2.gz NOIZCLAZRHVYMD-LBPRGKRZSA-N 0 0 325.413 1.267 10 0 EDAERN Cn1cc(CN2CCCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 ZINC000115581100 441760223 /nfs/dbraw/zinc/76/02/23/441760223.db2.gz MNMDPSLYLCJVQF-UHFFFAOYSA-N 0 0 348.472 1.458 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CCNC(=O)Cc1ccccc1 ZINC000042648145 441764392 /nfs/dbraw/zinc/76/43/92/441764392.db2.gz MMCQGIAKLZXXFY-HNNXBMFYSA-N 0 0 332.400 1.290 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121715941 441765418 /nfs/dbraw/zinc/76/54/18/441765418.db2.gz HAKOKVAGVUANBQ-VIFPVBQESA-N 0 0 325.394 1.259 10 0 EDAERN O=C(NCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cccnc1 ZINC000136817996 441726242 /nfs/dbraw/zinc/72/62/42/441726242.db2.gz DUAYPSKGFHQBQQ-MAUKXSAKSA-N 0 0 346.431 1.148 10 0 EDAERN COC(=O)Cn1ncc2c1ncnc2N1CCc2cc(F)ccc2C1 ZINC000091672541 441727777 /nfs/dbraw/zinc/72/77/77/441727777.db2.gz XLXODHWGTKQVDK-UHFFFAOYSA-N 0 0 341.346 1.701 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)N3CCc4ccccc4C3)CCO2)[nH]1 ZINC000173666384 441819910 /nfs/dbraw/zinc/81/99/10/441819910.db2.gz GEXFPFBZKOPEDN-INIZCTEOSA-N 0 0 341.415 1.071 10 0 EDAERN CCc1ccc([C@@H](COC)NC(=O)NC[C@H]2CN(C)CCO2)o1 ZINC000173520368 441776980 /nfs/dbraw/zinc/77/69/80/441776980.db2.gz GQFAAMMUMDJRJK-UONOGXRCSA-N 0 0 325.409 1.159 10 0 EDAERN CCO[C@@H](C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000173534402 441782119 /nfs/dbraw/zinc/78/21/19/441782119.db2.gz UCLCXDZZYFSZTK-HUUCEWRRSA-N 0 0 330.388 1.791 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(F)c(F)c(F)c3)CCO2)[nH]1 ZINC000173545915 441785972 /nfs/dbraw/zinc/78/59/72/441785972.db2.gz WEKCASDHHKMPRA-NSHDSACASA-N 0 0 326.278 1.744 10 0 EDAERN O=C(NCc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CNC(=O)C1 ZINC000138453433 441791871 /nfs/dbraw/zinc/79/18/71/441791871.db2.gz YAAUKBOQQWQGPP-AWEZNQCLSA-N 0 0 334.379 1.778 10 0 EDAERN Cc1cccc(-n2cc(C(=O)N3CC[C@@H](c4cnn(C)c4)C3)nn2)c1 ZINC000116120351 441795090 /nfs/dbraw/zinc/79/50/90/441795090.db2.gz DQAKNMHDSAVVLN-CQSZACIVSA-N 0 0 336.399 1.939 10 0 EDAERN COc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1N1CCNC1=O ZINC000173574041 441795526 /nfs/dbraw/zinc/79/55/26/441795526.db2.gz XNGGXUDSADCDDF-AWEZNQCLSA-N 0 0 344.415 1.145 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C[C@@H](NC(N)=O)c3cccs3)C2)cn1 ZINC000116229562 441803583 /nfs/dbraw/zinc/80/35/83/441803583.db2.gz GHWUCNZBZBAPAY-WCQYABFASA-N 0 0 347.444 1.597 10 0 EDAERN C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173643759 441812832 /nfs/dbraw/zinc/81/28/32/441812832.db2.gz VTLPDENGGDRKIO-AWEZNQCLSA-N 0 0 345.443 1.897 10 0 EDAERN C[C@@H](NC(=O)CN1CSCC1=O)c1cccc(-n2ccnc2)c1 ZINC000173917360 441862081 /nfs/dbraw/zinc/86/20/81/441862081.db2.gz NTTUIIIVVANXAY-GFCCVEGCSA-N 0 0 330.413 1.582 10 0 EDAERN CCN1C[C@@H](C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1=O ZINC000173950918 441868291 /nfs/dbraw/zinc/86/82/91/441868291.db2.gz UZTZSQOAAHZSCD-HIFRSBDPSA-N 0 0 326.400 1.918 10 0 EDAERN COc1cccc(CS(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000173984658 441872964 /nfs/dbraw/zinc/87/29/64/441872964.db2.gz LUXSZKLNWSPIPN-CQSZACIVSA-N 0 0 336.417 1.454 10 0 EDAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116578063 441831224 /nfs/dbraw/zinc/83/12/24/441831224.db2.gz DKEQPPHBYYZNAH-CQSZACIVSA-N 0 0 341.367 1.941 10 0 EDAERN CNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116576196 441831264 /nfs/dbraw/zinc/83/12/64/441831264.db2.gz QLSRYXVBADJTHU-AWEZNQCLSA-N 0 0 341.367 1.941 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CCCO3)c2)n[nH]1 ZINC000077707751 441835340 /nfs/dbraw/zinc/83/53/40/441835340.db2.gz HWFATURMKRMQNS-IINYFYTJSA-N 0 0 343.387 1.402 10 0 EDAERN CCC(=O)Nc1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173800570 441842242 /nfs/dbraw/zinc/84/22/42/441842242.db2.gz VSOXYGNKNCTCLQ-MRXNPFEDSA-N 0 0 346.431 1.974 10 0 EDAERN CCCOc1ncccc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173885061 441855245 /nfs/dbraw/zinc/85/52/45/441855245.db2.gz JZGRCJDPCPFXQE-MRXNPFEDSA-N 0 0 348.447 1.487 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nccs2)ncn1 ZINC000174245601 441906533 /nfs/dbraw/zinc/90/65/33/441906533.db2.gz URLIRMZHMYWNDC-SNVBAGLBSA-N 0 0 333.421 1.765 10 0 EDAERN CCOCCCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000174107918 441888398 /nfs/dbraw/zinc/88/83/98/441888398.db2.gz NVPVDTTVVLKSKG-UHFFFAOYSA-N 0 0 339.440 1.412 10 0 EDAERN CCOc1ccc(NS(C)(=O)=O)c2sc(C(N)=O)c(N)c21 ZINC000146362276 441896631 /nfs/dbraw/zinc/89/66/31/441896631.db2.gz FTTUXBOWMVJGNM-UHFFFAOYSA-N 0 0 329.403 1.353 10 0 EDAERN C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000150889396 441968676 /nfs/dbraw/zinc/96/86/76/441968676.db2.gz NYHWYWQLGZIJBQ-YUELXQCFSA-N 0 0 329.404 1.404 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1N(C)C ZINC000150791619 441952030 /nfs/dbraw/zinc/95/20/30/441952030.db2.gz GAZVQGBHKLOHRE-GOEBONIOSA-N 0 0 346.475 1.844 10 0 EDAERN CNC(=O)Cn1cnc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000174716832 441957927 /nfs/dbraw/zinc/95/79/27/441957927.db2.gz MYGXVCDGTIESLV-CABCVRRESA-N 0 0 341.415 1.890 10 0 EDAERN CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCN(C(C)C)C2=O)ncn1 ZINC000175016467 441995878 /nfs/dbraw/zinc/99/58/78/441995878.db2.gz ZRGNHHPVBQAQBE-CABCVRRESA-N 0 0 346.479 1.476 10 0 EDAERN CCc1cc(=O)[nH]c(CN2CCN([C@@H](C)c3nc(C)no3)CC2)n1 ZINC000120064370 442001281 /nfs/dbraw/zinc/00/12/81/442001281.db2.gz JSWHHETVQLXGDO-NSHDSACASA-N 0 0 332.408 1.315 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000174900310 441981152 /nfs/dbraw/zinc/98/11/52/441981152.db2.gz QVRMVOLDOZDBPG-STQMWFEESA-N 0 0 328.434 1.324 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000151094559 442004553 /nfs/dbraw/zinc/00/45/53/442004553.db2.gz AIUWRJBKWXCCQT-CZUORRHYSA-N 0 0 349.479 1.979 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC1(O)CCCCC1)CC2 ZINC000161513369 442006855 /nfs/dbraw/zinc/00/68/55/442006855.db2.gz RAMZEPRXOIGMGS-ZDUSSCGKSA-N 0 0 335.452 1.711 10 0 EDAERN CC[C@H](COC)NC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000175176879 442010961 /nfs/dbraw/zinc/01/09/61/442010961.db2.gz QMTBESFOSOZZMU-CHWSQXEVSA-N 0 0 336.440 1.211 10 0 EDAERN COC[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(C)o1 ZINC000175273445 442030757 /nfs/dbraw/zinc/03/07/57/442030757.db2.gz AYRDFOBDFUVZDU-JSGCOSHPSA-N 0 0 325.409 1.295 10 0 EDAERN CCC[C@@H](C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)[NH+](C)C ZINC000161792343 442033053 /nfs/dbraw/zinc/03/30/53/442033053.db2.gz WTAXQAJNMRYXND-KRWDZBQOSA-N 0 0 349.450 1.769 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000175298868 442037052 /nfs/dbraw/zinc/03/70/52/442037052.db2.gz BTZQBJKBORUXEH-AWEZNQCLSA-N 0 0 347.423 1.100 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000125643854 442037647 /nfs/dbraw/zinc/03/76/47/442037647.db2.gz XJJGDKRHCDMQSA-NVXWUHKLSA-N 0 0 335.423 1.730 10 0 EDAERN Cc1cnn(CCN[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162117098 442065043 /nfs/dbraw/zinc/06/50/43/442065043.db2.gz PSTDXFVLVSJCMP-CYBMUJFWSA-N 0 0 337.221 1.770 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCc3cccc(C)c3)CCO2)[nH]1 ZINC000175472173 442069153 /nfs/dbraw/zinc/06/91/53/442069153.db2.gz UEPIRRVNAWUFGY-OAHLLOKOSA-N 0 0 329.404 1.747 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)[nH]1 ZINC000175475642 442070677 /nfs/dbraw/zinc/07/06/77/442070677.db2.gz NJUMRAMRVXOTFA-CQSZACIVSA-N 0 0 349.366 1.028 10 0 EDAERN CCC1(CNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)CCC1 ZINC000120463400 442077139 /nfs/dbraw/zinc/07/71/39/442077139.db2.gz CQNNPEJDTAJGCF-GFCCVEGCSA-N 0 0 349.456 1.810 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(C)C ZINC000126093297 442078067 /nfs/dbraw/zinc/07/80/67/442078067.db2.gz XYCOWEPULKBIFX-INIZCTEOSA-N 0 0 348.447 1.909 10 0 EDAERN COCc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000120479441 442080162 /nfs/dbraw/zinc/08/01/62/442080162.db2.gz OWSRSYDRGSGKHA-UHFFFAOYSA-N 0 0 338.415 1.593 10 0 EDAERN O=C(C1CCN(c2cnccn2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151558868 442084104 /nfs/dbraw/zinc/08/41/04/442084104.db2.gz BJKVZTBWVAQYJV-LPHOPBHVSA-N 0 0 344.459 1.847 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccccn2)no1 ZINC000096210174 442085635 /nfs/dbraw/zinc/08/56/35/442085635.db2.gz JXNZCQCHFGGDFY-OAHLLOKOSA-N 0 0 328.372 1.342 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCC(=O)N1CCCCCC1 ZINC000175734266 442113395 /nfs/dbraw/zinc/11/33/95/442113395.db2.gz KLSBCMIKOIAGSS-CQSZACIVSA-N 0 0 348.451 1.513 10 0 EDAERN C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000126489224 442117200 /nfs/dbraw/zinc/11/72/00/442117200.db2.gz CAQDPQOSSLRXBD-DZGCQCFKSA-N 0 0 326.462 1.099 10 0 EDAERN C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000126489451 442117358 /nfs/dbraw/zinc/11/73/58/442117358.db2.gz CAQDPQOSSLRXBD-UKRRQHHQSA-N 0 0 326.462 1.099 10 0 EDAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151856061 442129916 /nfs/dbraw/zinc/12/99/16/442129916.db2.gz IFOPQQYHIGPNQU-SGTLLEGYSA-N 0 0 327.384 1.690 10 0 EDAERN COC(=O)COc1c(C)cc(C(=O)NCCn2cc(C)cn2)cc1C ZINC000175902340 442143139 /nfs/dbraw/zinc/14/31/39/442143139.db2.gz YMSAYNUTUTZFRE-UHFFFAOYSA-N 0 0 345.399 1.790 10 0 EDAERN C[C@@H]1CN(C(=O)NCCCOCC2CC2)C[C@H]1N1CCOCC1 ZINC000175637938 442098586 /nfs/dbraw/zinc/09/85/86/442098586.db2.gz RADIDESIOMHHMJ-GDBMZVCRSA-N 0 0 325.453 1.165 10 0 EDAERN O=C(Nc1ccc(Cl)cc1F)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176101567 442176109 /nfs/dbraw/zinc/17/61/09/442176109.db2.gz BZQNXKUIYSWRAI-NSHDSACASA-N 0 0 337.742 1.660 10 0 EDAERN O=S(=O)(Cc1c(F)cccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000163793333 442182438 /nfs/dbraw/zinc/18/24/38/442182438.db2.gz ORKDOUNXMPLCLJ-GFCCVEGCSA-N 0 0 346.399 1.201 10 0 EDAERN COc1cccc(CCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 ZINC000127302495 442191312 /nfs/dbraw/zinc/19/13/12/442191312.db2.gz YNHWJVKLAJNLIU-QGZVFWFLSA-N 0 0 341.411 1.634 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCNC(=O)CC(C)C)C2)n1 ZINC000121214541 442192051 /nfs/dbraw/zinc/19/20/51/442192051.db2.gz ORVIOIASCRGLPQ-MRXNPFEDSA-N 0 0 349.479 1.686 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@H]1C ZINC000127324207 442192952 /nfs/dbraw/zinc/19/29/52/442192952.db2.gz ITMASKHTTJLVBI-LLVKDONJSA-N 0 0 346.353 1.678 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000121277685 442198764 /nfs/dbraw/zinc/19/87/64/442198764.db2.gz ZPYUMBRSAGQKMG-HNNXBMFYSA-N 0 0 331.416 1.705 10 0 EDAERN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)C(=O)N1CCC[C@H]1CO ZINC000120935863 442154214 /nfs/dbraw/zinc/15/42/14/442154214.db2.gz NQNCQILEXYEKTL-VIFPVBQESA-N 0 0 338.314 1.422 10 0 EDAERN Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120948613 442155919 /nfs/dbraw/zinc/15/59/19/442155919.db2.gz NYHTYMCQJIDYCS-ZDUSSCGKSA-N 0 0 334.420 1.390 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)N2CCC(c3cc[nH]n3)CC2)ccn1 ZINC000152047505 442157503 /nfs/dbraw/zinc/15/75/03/442157503.db2.gz AYKLLWKUHXTUMK-UHFFFAOYSA-N 0 0 342.403 1.918 10 0 EDAERN Cc1ccc([C@H]2CCCCN2C(=O)CN2CCCS2(=O)=O)o1 ZINC000127654616 442218142 /nfs/dbraw/zinc/21/81/42/442218142.db2.gz IQAVGJLHHPOXSR-CYBMUJFWSA-N 0 0 326.418 1.677 10 0 EDAERN CCCCC1CCC(C(=O)NC[C@H](O)CN2CCOCC2)CC1 ZINC000176439372 442221976 /nfs/dbraw/zinc/22/19/76/442221976.db2.gz OBKFTVZXEBYAHZ-JCYILVPMSA-N 0 0 326.481 1.792 10 0 EDAERN O=C(CN1CCCCC1=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176443082 442222690 /nfs/dbraw/zinc/22/26/90/442222690.db2.gz ZAKGVSXDCZVDLS-AWEZNQCLSA-N 0 0 345.447 1.681 10 0 EDAERN O=C(NCCOCc1ccccc1)N1CCC[C@@H](n2cncn2)C1 ZINC000176440250 442222692 /nfs/dbraw/zinc/22/26/92/442222692.db2.gz HMLFXPGPMJVEOO-MRXNPFEDSA-N 0 0 329.404 1.841 10 0 EDAERN Nc1nccnc1C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176447980 442223151 /nfs/dbraw/zinc/22/31/51/442223151.db2.gz UQKDXPROXLLHCV-NSHDSACASA-N 0 0 327.392 1.354 10 0 EDAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127779399 442224396 /nfs/dbraw/zinc/22/43/96/442224396.db2.gz VNQVBXTUZFYRBA-FZKQIMNGSA-N 0 0 330.384 1.785 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)CC2 ZINC000127817287 442227466 /nfs/dbraw/zinc/22/74/66/442227466.db2.gz IOUQJFGICFIOLV-ZDUSSCGKSA-N 0 0 337.387 1.166 10 0 EDAERN O=C(CCNC(=O)c1ccsc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127833394 442227851 /nfs/dbraw/zinc/22/78/51/442227851.db2.gz YORHOLQHPTWULJ-CYBMUJFWSA-N 0 0 347.444 1.398 10 0 EDAERN CN(C(=O)NCc1cscn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000152616816 442231423 /nfs/dbraw/zinc/23/14/23/442231423.db2.gz DFYFVRANVOYOGT-ZDUSSCGKSA-N 0 0 332.433 1.744 10 0 EDAERN Cc1n[nH]cc1C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176538700 442232197 /nfs/dbraw/zinc/23/21/97/442232197.db2.gz DZXLWVYONCXCPK-AWEZNQCLSA-N 0 0 334.445 1.925 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2ccccc2[nH]c1=O ZINC000176679692 442246542 /nfs/dbraw/zinc/24/65/42/442246542.db2.gz NAOLQHISPUXDQP-AWEZNQCLSA-N 0 0 337.383 1.947 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000170823147 442269264 /nfs/dbraw/zinc/26/92/64/442269264.db2.gz AOTQCGYDFNWMOU-JQWIXIFHSA-N 0 0 340.449 1.533 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)c(C)c1 ZINC000177004227 442283177 /nfs/dbraw/zinc/28/31/77/442283177.db2.gz DGAHXYSGXDIRAC-CYBMUJFWSA-N 0 0 336.417 1.717 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2cccc(Br)c2)C1 ZINC000170923511 442289663 /nfs/dbraw/zinc/28/96/63/442289663.db2.gz PGKDKDSFBBCJLC-ZDUSSCGKSA-N 0 0 342.237 1.579 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)C1CCC(CO)CC1)CC2 ZINC000128841166 442290668 /nfs/dbraw/zinc/29/06/68/442290668.db2.gz GNIFBENRMYETJV-SHARSMKWSA-N 0 0 349.479 1.909 10 0 EDAERN O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)NC(=O)NCC(F)(F)F ZINC000177075005 442294315 /nfs/dbraw/zinc/29/43/15/442294315.db2.gz BFJCOSPLJYZNCG-LLVKDONJSA-N 0 0 347.341 1.715 10 0 EDAERN CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177530872 442354120 /nfs/dbraw/zinc/35/41/20/442354120.db2.gz IHZIBSFBCMXBSH-LLVKDONJSA-N 0 0 337.424 1.923 10 0 EDAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177394951 442336163 /nfs/dbraw/zinc/33/61/63/442336163.db2.gz LDQRFQRRTKQNSD-HNNXBMFYSA-N 0 0 329.400 1.257 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(OCCF)c1 ZINC000130047898 442338371 /nfs/dbraw/zinc/33/83/71/442338371.db2.gz DACRXAFUSBJXGM-WFASDCNBSA-N 0 0 338.379 1.641 10 0 EDAERN NC(=O)[C@@H](SC[C@@H](O)CO)c1ccc(Br)cc1F ZINC000177416562 442338682 /nfs/dbraw/zinc/33/86/82/442338682.db2.gz RTGRPYKNPKGXFR-XVKPBYJWSA-N 0 0 338.198 1.201 10 0 EDAERN Cc1cc(-c2noc(CN3CCO[C@H](C[NH+](C)C)C3)n2)ccc1F ZINC000130366822 442344917 /nfs/dbraw/zinc/34/49/17/442344917.db2.gz UFSFSTZMTUXVQW-CQSZACIVSA-N 0 0 334.395 1.947 10 0 EDAERN CCOCCCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000154642864 442349677 /nfs/dbraw/zinc/34/96/77/442349677.db2.gz NNNRCVYRNQWNDD-ZFWWWQNUSA-N 0 0 326.437 1.335 10 0 EDAERN COC(=O)[C@H]1CCCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000171468372 442350963 /nfs/dbraw/zinc/35/09/63/442350963.db2.gz HQWJDBSFZDEVLC-ZFWWWQNUSA-N 0 0 326.437 1.585 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccn(-c2ccc(F)cc2)n1 ZINC000177526517 442352969 /nfs/dbraw/zinc/35/29/69/442352969.db2.gz FRTBYWGDUUDOOO-CYBMUJFWSA-N 0 0 326.335 1.868 10 0 EDAERN O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCCn2ncnc21 ZINC000177537596 442354937 /nfs/dbraw/zinc/35/49/37/442354937.db2.gz OSRHNBSGEYIYQH-AWEZNQCLSA-N 0 0 338.371 1.029 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2c(C)c3ccccc3oc2=O)CC1 ZINC000177201109 442312506 /nfs/dbraw/zinc/31/25/06/442312506.db2.gz MQZXOLOFNSQGIS-AWEZNQCLSA-N 0 0 344.411 1.630 10 0 EDAERN NC(=O)[C@H](NC(=O)N[C@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000153969938 442313911 /nfs/dbraw/zinc/31/39/11/442313911.db2.gz AYIZBZIICLGNOI-DZGCQCFKSA-N 0 0 329.331 1.785 10 0 EDAERN C[C@H]1CN(Cc2nc(N)c3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000177229428 442316810 /nfs/dbraw/zinc/31/68/10/442316810.db2.gz LEILWUGJUZCRNI-BBRMVZONSA-N 0 0 327.432 1.365 10 0 EDAERN CCCc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000177633577 442364712 /nfs/dbraw/zinc/36/47/12/442364712.db2.gz IMRCHJCSNMIGOW-CQSZACIVSA-N 0 0 327.388 1.300 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1Cl ZINC000177633871 442364753 /nfs/dbraw/zinc/36/47/53/442364753.db2.gz JYJZCWRGSMGRIQ-SNVBAGLBSA-N 0 0 333.779 1.310 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1C)CC2 ZINC000177643343 442365980 /nfs/dbraw/zinc/36/59/80/442365980.db2.gz NANNGCYSPATBPZ-NSHDSACASA-N 0 0 345.378 1.358 10 0 EDAERN COc1ccncc1NC(=O)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000177667534 442368137 /nfs/dbraw/zinc/36/81/37/442368137.db2.gz XHYCRYLHDXVZEZ-CYBMUJFWSA-N 0 0 343.387 1.397 10 0 EDAERN Cn1nccc1C1CCN(C(=O)NCCCN2CCOCC2)CC1 ZINC000154985219 442368347 /nfs/dbraw/zinc/36/83/47/442368347.db2.gz YNSJJMXMZRJANT-UHFFFAOYSA-N 0 0 335.452 1.031 10 0 EDAERN COc1ncccc1NC(=O)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000177669090 442368369 /nfs/dbraw/zinc/36/83/69/442368369.db2.gz MNGSELLWESDEQG-CYBMUJFWSA-N 0 0 343.387 1.397 10 0 EDAERN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)C[C@H](O)CO ZINC000177674375 442368959 /nfs/dbraw/zinc/36/89/59/442368959.db2.gz NHUIFUFHUATIEA-GZMMTYOYSA-N 0 0 346.792 1.219 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC)c1nccs1 ZINC000131297495 442369222 /nfs/dbraw/zinc/36/92/22/442369222.db2.gz KBWMEZJEDMYWDE-NWDGAFQWSA-N 0 0 345.490 1.915 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1ncc[nH]1 ZINC000171754595 442377568 /nfs/dbraw/zinc/37/75/68/442377568.db2.gz FMAQVZVCUWBVCO-XJKSGUPXSA-N 0 0 328.416 1.913 10 0 EDAERN Cc1cccc(C)c1-n1nnnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177769675 442381997 /nfs/dbraw/zinc/38/19/97/442381997.db2.gz WCRXLEDHIPLNSG-MRXNPFEDSA-N 0 0 326.448 1.949 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171917374 442391078 /nfs/dbraw/zinc/39/10/78/442391078.db2.gz XGAWBXVGJXNYBV-RVMXOQNASA-N 0 0 348.365 1.956 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCCn2ccnc2)[C@@H]1c1ccccc1 ZINC000171986497 442396101 /nfs/dbraw/zinc/39/61/01/442396101.db2.gz GPZXYNSHWZUDSQ-RDJZCZTQSA-N 0 0 326.400 1.609 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000155467604 442400768 /nfs/dbraw/zinc/40/07/68/442400768.db2.gz MYJJEDILSLCZGU-LBPRGKRZSA-N 0 0 337.424 1.024 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(CO)c1)CC2 ZINC000172028992 442401527 /nfs/dbraw/zinc/40/15/27/442401527.db2.gz LJGITDMAVUYFNT-AWEZNQCLSA-N 0 0 329.404 1.147 10 0 EDAERN O=C(CCCc1ccc2c(c1)CC(=O)N2)N[C@@H]1CCCn2ncnc21 ZINC000177541653 442355443 /nfs/dbraw/zinc/35/54/43/442355443.db2.gz GEQGWJMHVOPRFT-OAHLLOKOSA-N 0 0 339.399 1.747 10 0 EDAERN COCCCOc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177543907 442355501 /nfs/dbraw/zinc/35/55/01/442355501.db2.gz HBCAKNAMHWCRQX-HNNXBMFYSA-N 0 0 330.388 1.958 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177571168 442358513 /nfs/dbraw/zinc/35/85/13/442358513.db2.gz WADUJSSTINXKIC-YNEHKIRRSA-N 0 0 349.435 1.923 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000171578640 442358770 /nfs/dbraw/zinc/35/87/70/442358770.db2.gz ZTOHHFMNPVJIFW-OAHLLOKOSA-N 0 0 328.372 1.723 10 0 EDAERN CCOCCS(=O)(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000177585612 442359859 /nfs/dbraw/zinc/35/98/59/442359859.db2.gz IRSXKGGIYILPLB-UHFFFAOYSA-N 0 0 329.422 1.672 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1C ZINC000177605597 442361559 /nfs/dbraw/zinc/36/15/59/442361559.db2.gz QAIIQJFTRQLCTA-ZIAGYGMSSA-N 0 0 333.432 1.155 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000172214688 442424798 /nfs/dbraw/zinc/42/47/98/442424798.db2.gz HMCFVCQJJGRYAW-BXUZGUMPSA-N 0 0 327.388 1.593 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000172219735 442425262 /nfs/dbraw/zinc/42/52/62/442425262.db2.gz TXKGWDIGCGAOLL-CQSZACIVSA-N 0 0 343.427 1.711 10 0 EDAERN Cc1csc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000155739328 442423737 /nfs/dbraw/zinc/42/37/37/442423737.db2.gz QZTRDBZBUNVZBF-LLVKDONJSA-N 0 0 334.449 1.981 10 0 EDAERN COc1cc(C)ccc1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000155746835 442424055 /nfs/dbraw/zinc/42/40/55/442424055.db2.gz KCRPXTOWJPJQRS-INIZCTEOSA-N 0 0 344.415 1.811 10 0 EDAERN COCCN1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1C ZINC000172224996 442426141 /nfs/dbraw/zinc/42/61/41/442426141.db2.gz INWLRCILDPNLMU-CQSZACIVSA-N 0 0 330.432 1.675 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2ccsc2)C1)C(C)C ZINC000178430991 442433340 /nfs/dbraw/zinc/43/33/40/442433340.db2.gz HEOJMXJBAZBWAQ-CHWSQXEVSA-N 0 0 325.434 1.602 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1c(C)nc3ccccc31)CC2 ZINC000172255843 442431123 /nfs/dbraw/zinc/43/11/23/442431123.db2.gz JQUIFQZDVSPNQF-ZDUSSCGKSA-N 0 0 338.415 1.630 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(C)C ZINC000178693543 442457409 /nfs/dbraw/zinc/45/74/09/442457409.db2.gz MIBOBOIOQXNVCO-CQSZACIVSA-N 0 0 340.807 1.541 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000172281948 442435017 /nfs/dbraw/zinc/43/50/17/442435017.db2.gz PUZCGDIZOBZEIX-AWEZNQCLSA-N 0 0 327.388 1.296 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3nccn3c2)C[C@H]1CC ZINC000172298508 442437969 /nfs/dbraw/zinc/43/79/69/442437969.db2.gz FYROACGDSFMITK-MRXNPFEDSA-N 0 0 330.432 1.907 10 0 EDAERN CCC(CC)[C@H](C(=O)N[C@@H](C(=O)NC)C(C)C)N1CCOCC1 ZINC000178586684 442445513 /nfs/dbraw/zinc/44/55/13/442445513.db2.gz BLDPUHFGIWEBSN-HUUCEWRRSA-N 0 0 327.469 1.010 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](OCCO)C1)C(C)C ZINC000178621675 442449204 /nfs/dbraw/zinc/44/92/04/442449204.db2.gz UOYCYWSIBQNWPR-HOCLYGCPSA-N 0 0 328.453 1.173 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000156137984 442450226 /nfs/dbraw/zinc/45/02/26/442450226.db2.gz DSPOUSCOCLSIMS-FMKPAKJESA-N 0 0 335.448 1.718 10 0 EDAERN Cc1ccc(NC(=O)C2CCN(C(=O)C[C@@H](O)C(C)C)CC2)nc1 ZINC000156508670 442488450 /nfs/dbraw/zinc/48/84/50/442488450.db2.gz IOYZUHPIZFIWGC-OAHLLOKOSA-N 0 0 333.432 1.974 10 0 EDAERN CN(Cc1cc(Cl)cn1C)C(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000134515440 442488735 /nfs/dbraw/zinc/48/87/35/442488735.db2.gz ZXAWCKFIRIVILG-OAHLLOKOSA-N 0 0 348.834 1.917 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NOCc1ccc(F)cc1)CC2 ZINC000186219013 442489149 /nfs/dbraw/zinc/48/91/49/442489149.db2.gz DWADNMCOSJJNBB-CYBMUJFWSA-N 0 0 333.367 1.725 10 0 EDAERN CCOC1CC(CCNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)C1 ZINC000191686545 442490123 /nfs/dbraw/zinc/49/01/23/442490123.db2.gz UTERPADAXXHOPN-RUXDESIVSA-N 0 0 337.424 1.401 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cc(N(C)C)ccn3)CCO2)cn1 ZINC000191718779 442497419 /nfs/dbraw/zinc/49/74/19/442497419.db2.gz XLYAUWBRZIFHMH-MRXNPFEDSA-N 0 0 329.404 1.578 10 0 EDAERN CC(=O)NC1CN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000191729088 442500438 /nfs/dbraw/zinc/50/04/38/442500438.db2.gz YMHHWIIOTGRFHF-UHFFFAOYSA-N 0 0 340.221 1.598 10 0 EDAERN CC(=O)c1ccc(OCCCC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000191763342 442506823 /nfs/dbraw/zinc/50/68/23/442506823.db2.gz FBWIDCOYPLOPDN-ZDUSSCGKSA-N 0 0 332.400 1.785 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cc1ccc(Br)s1)C(C)C ZINC000178704564 442459237 /nfs/dbraw/zinc/45/92/37/442459237.db2.gz RZQOHTRWFLYFJG-LLVKDONJSA-N 0 0 333.251 1.940 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)nc1)C(C)C ZINC000178727604 442465229 /nfs/dbraw/zinc/46/52/29/442465229.db2.gz SQMHOBQMIKNUTK-OAHLLOKOSA-N 0 0 329.404 1.385 10 0 EDAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N[C@@H]1COc2ccccc21 ZINC000156322638 442467684 /nfs/dbraw/zinc/46/76/84/442467684.db2.gz COTBJMTXTGXRBD-LLVKDONJSA-N 0 0 336.298 1.337 10 0 EDAERN COC[C@H](C)C(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191580135 442469901 /nfs/dbraw/zinc/46/99/01/442469901.db2.gz VLYYNYCYJUHDDA-LSDHHAIUSA-N 0 0 342.480 1.924 10 0 EDAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCCN(c2cccnn2)CC1 ZINC000134390817 442477396 /nfs/dbraw/zinc/47/73/96/442477396.db2.gz NQFGVVDICNXRKS-ZDUSSCGKSA-N 0 0 326.404 1.359 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CCCc2nc(C)no2)C12CCOCC2 ZINC000186452203 442537385 /nfs/dbraw/zinc/53/73/85/442537385.db2.gz YSKMOCBHGHSQPM-KGLIPLIRSA-N 0 0 337.420 1.791 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000191902609 442537957 /nfs/dbraw/zinc/53/79/57/442537957.db2.gz NDLROCJIPMXTDF-AWEZNQCLSA-N 0 0 340.464 1.678 10 0 EDAERN O=C(NCc1nccs1)N1CCC(c2ccnn2CCO)CC1 ZINC000157001842 442541241 /nfs/dbraw/zinc/54/12/41/442541241.db2.gz JTEWLZDTSUQHOP-UHFFFAOYSA-N 0 0 335.433 1.421 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC1)c1cccs1 ZINC000179018679 442553322 /nfs/dbraw/zinc/55/33/22/442553322.db2.gz FNDCQPWGEPAUBF-GJZGRUSLSA-N 0 0 344.436 1.994 10 0 EDAERN Nc1nc(N)nc(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)n1 ZINC000134837587 442527584 /nfs/dbraw/zinc/52/75/84/442527584.db2.gz QIWTXWFKLXYJJD-GFCCVEGCSA-N 0 0 330.367 1.413 10 0 EDAERN O=C(C[C@@H]1CCCN1CC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000134841376 442527823 /nfs/dbraw/zinc/52/78/23/442527823.db2.gz TXAAGEYPBWHMQR-INIZCTEOSA-N 0 0 334.391 1.722 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000178942354 442532053 /nfs/dbraw/zinc/53/20/53/442532053.db2.gz OIFIEBSBDNDJBM-QWHCGFSZSA-N 0 0 333.436 1.091 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(OCc2cccs2)c1 ZINC000180274882 442572115 /nfs/dbraw/zinc/57/21/15/442572115.db2.gz XOPUBNRUYGYYIO-HNNXBMFYSA-N 0 0 346.408 1.653 10 0 EDAERN CC[C@](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)(C(N)=O)C(C)C ZINC000180282544 442572778 /nfs/dbraw/zinc/57/27/78/442572778.db2.gz VFFSRTIVSIVUNT-YVEFUNNKSA-N 0 0 334.420 1.603 10 0 EDAERN C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nnc2n1CCCC2 ZINC000135253222 442573552 /nfs/dbraw/zinc/57/35/52/442573552.db2.gz WFKJIMINHHKCKV-SMDDNHRTSA-N 0 0 340.383 1.573 10 0 EDAERN CSc1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)ccn1 ZINC000135273640 442574369 /nfs/dbraw/zinc/57/43/69/442574369.db2.gz MFVGNNXUWGHQCG-ZDUSSCGKSA-N 0 0 329.429 1.992 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)c2cc(Br)nn2C)cn1 ZINC000192056392 442581730 /nfs/dbraw/zinc/58/17/30/442581730.db2.gz MTTROSIKVWZODZ-JTQLQIEISA-N 0 0 338.209 1.893 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000180354189 442585474 /nfs/dbraw/zinc/58/54/74/442585474.db2.gz PTVSVAJWZXOLGX-JXQTWKCFSA-N 0 0 349.406 1.895 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCCOc1ccc(F)cc1 ZINC000179227703 442601135 /nfs/dbraw/zinc/60/11/35/442601135.db2.gz UHYNDDZJOCYMGX-OAHLLOKOSA-N 0 0 337.395 1.905 10 0 EDAERN C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000186745692 442604187 /nfs/dbraw/zinc/60/41/87/442604187.db2.gz OYYJNZUHWUQXEH-SECBINFHSA-N 0 0 339.804 1.873 10 0 EDAERN O=C1O[C@@H](CN2CCN(C[C@H](O)c3ccccc3)CC2)CC12CCC2 ZINC000192000463 442560647 /nfs/dbraw/zinc/56/06/47/442560647.db2.gz DXKHNWQSSPVMJO-MSOLQXFVSA-N 0 0 344.455 1.823 10 0 EDAERN Cn1c(CN2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1C1CC1 ZINC000172897658 442565234 /nfs/dbraw/zinc/56/52/34/442565234.db2.gz WZXFDZXDYWCNJC-UHFFFAOYSA-N 0 0 343.406 1.676 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)C[C@@H](C)O1 ZINC000172913240 442567398 /nfs/dbraw/zinc/56/73/98/442567398.db2.gz JEVCWFNRKWATRS-IIAWOOMASA-N 0 0 331.416 1.570 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000158070149 442643935 /nfs/dbraw/zinc/64/39/35/442643935.db2.gz KFHBUEWBUAEKTF-HIFRSBDPSA-N 0 0 340.445 1.299 10 0 EDAERN CCOC1CC(CNC(=O)N[C@@H](C)C(C)C)(N2CCOCC2)C1 ZINC000192458832 442648944 /nfs/dbraw/zinc/64/89/44/442648944.db2.gz QKKIBHBVMJBFQF-UQPPLGOBSA-N 0 0 327.469 1.600 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000192476109 442651492 /nfs/dbraw/zinc/65/14/92/442651492.db2.gz XRZYMWKNHGJDOH-NVXWUHKLSA-N 0 0 331.416 1.515 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)NC)c2)C12CCOCC2 ZINC000187143220 442655475 /nfs/dbraw/zinc/65/54/75/442655475.db2.gz QCWGDZMCKCBJCC-JKSUJKDBSA-N 0 0 346.427 1.750 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC[C@@H]1O ZINC000186782680 442610462 /nfs/dbraw/zinc/61/04/62/442610462.db2.gz SAWIDPBSMCEDGX-FIUQPQMISA-N 0 0 334.391 1.574 10 0 EDAERN C[C@H](Sc1nncn1C)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135691028 442625709 /nfs/dbraw/zinc/62/57/09/442625709.db2.gz DLYVLFCLTZKDFK-AAEUAGOBSA-N 0 0 333.417 1.371 10 0 EDAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)N[C@H]1CCCn3ncnc31)O2 ZINC000180760759 442657550 /nfs/dbraw/zinc/65/75/50/442657550.db2.gz HCJPXPGCXBNBOO-DLOXAQCQSA-N 0 0 349.435 1.734 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cccnc1OCC(F)F)C(C)C ZINC000179360122 442630661 /nfs/dbraw/zinc/63/06/61/442630661.db2.gz GACMNIJFUUWKLS-GFCCVEGCSA-N 0 0 344.362 1.295 10 0 EDAERN C[C@@H]1CN(Cc2ncn(-c3ccccc3)n2)C[C@@H]1N1CCOCC1 ZINC000179359633 442631035 /nfs/dbraw/zinc/63/10/35/442631035.db2.gz MZLCTESQVYCQIW-WBVHZDCISA-N 0 0 327.432 1.420 10 0 EDAERN COC(=O)CN(CCc1ccccc1)Cc1c(C)nn(C)c1OC ZINC000181022947 442675205 /nfs/dbraw/zinc/67/52/05/442675205.db2.gz SSHICVBVKNVXLZ-UHFFFAOYSA-N 0 0 331.416 1.955 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2ccc(C)cc2F)C[C@H]1C ZINC000192670520 442675350 /nfs/dbraw/zinc/67/53/50/442675350.db2.gz HMFGKGOSFUIXFN-CQSZACIVSA-N 0 0 344.452 1.616 10 0 EDAERN COc1cccc2c1CC[C@@H]2NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187569019 442681286 /nfs/dbraw/zinc/68/12/86/442681286.db2.gz LXVOMYYKTMQJJD-HNNXBMFYSA-N 0 0 329.400 1.603 10 0 EDAERN O=C(c1cnc(Cl)cn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000192737089 442682093 /nfs/dbraw/zinc/68/20/93/442682093.db2.gz NVLRKIBUVJOMKQ-OAHLLOKOSA-N 0 0 346.818 1.621 10 0 EDAERN CCCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)cn1 ZINC000187662097 442684494 /nfs/dbraw/zinc/68/44/94/442684494.db2.gz NMDHTFMFJDAMAJ-OAHLLOKOSA-N 0 0 348.447 1.800 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2ccc(Cl)cc2F)C1 ZINC000187868278 442696143 /nfs/dbraw/zinc/69/61/43/442696143.db2.gz VPVULBIFGWPSLF-UHFFFAOYSA-N 0 0 329.759 1.136 10 0 EDAERN CC(C)c1csc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000192958423 442701274 /nfs/dbraw/zinc/70/12/74/442701274.db2.gz LEXAHNBATLOVBH-LLVKDONJSA-N 0 0 347.444 1.955 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cnn1C1CCCC1 ZINC000192957244 442701405 /nfs/dbraw/zinc/70/14/05/442701405.db2.gz LPYBOVJXFYPTOF-IAQYHMDHSA-N 0 0 334.420 1.929 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2n[nH]nc21 ZINC000187239356 442663049 /nfs/dbraw/zinc/66/30/49/442663049.db2.gz OCHFUESCKODGFQ-BPNCWPANSA-N 0 0 328.372 1.904 10 0 EDAERN Cc1c(C(=O)NC[C@@H](C)N2CCOCC2)cnn1Cc1ccccc1 ZINC000192650949 442672584 /nfs/dbraw/zinc/67/25/84/442672584.db2.gz JDHSCWABHBQIKC-OAHLLOKOSA-N 0 0 342.443 1.690 10 0 EDAERN CCO[C@H](CCNC(=O)N1CCN(C[C@@H](O)CC)CC1)C(C)C ZINC000181882845 442720390 /nfs/dbraw/zinc/72/03/90/442720390.db2.gz DBZTUAQJRZUFQY-JKSUJKDBSA-N 0 0 329.485 1.536 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2ncc(C)s2)CC1 ZINC000181927242 442722049 /nfs/dbraw/zinc/72/20/49/442722049.db2.gz VOKUFHKFKUYXGA-CHWSQXEVSA-N 0 0 326.466 1.611 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000188195254 442722828 /nfs/dbraw/zinc/72/28/28/442722828.db2.gz HVVHSZLPZCUVBA-MRXNPFEDSA-N 0 0 349.412 1.589 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc2cnccc21 ZINC000188201755 442724174 /nfs/dbraw/zinc/72/41/74/442724174.db2.gz NPTOJGLHVIVORI-MRXNPFEDSA-N 0 0 334.397 1.951 10 0 EDAERN COc1cccc(C)c1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000193272894 442727914 /nfs/dbraw/zinc/72/79/14/442727914.db2.gz AHQHAQKLIVTWSD-CYBMUJFWSA-N 0 0 342.399 1.692 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3ncnn3CC)CC2)n1 ZINC000193337702 442734281 /nfs/dbraw/zinc/73/42/81/442734281.db2.gz KVAAZBLGRGZNBN-UHFFFAOYSA-N 0 0 331.424 1.117 10 0 EDAERN Cc1ccc(-n2cc(C(=O)N3CC(NC(=O)C4CCC4)C3)nn2)cc1 ZINC000188498097 442756984 /nfs/dbraw/zinc/75/69/84/442756984.db2.gz DJNCXYUKLGYRSN-UHFFFAOYSA-N 0 0 339.399 1.316 10 0 EDAERN COc1ccc([C@H](C)NC(=O)N[C@@H](C)C[S@@](C)=O)cc1OC ZINC000182208794 442745476 /nfs/dbraw/zinc/74/54/76/442745476.db2.gz BZCPYLYLXBVDEP-WEVHURDZSA-N 0 0 328.434 1.831 10 0 EDAERN COCCN1CCCN(C(=O)N[C@@H]2CCCc3ccccc32)CC1=O ZINC000188425648 442748978 /nfs/dbraw/zinc/74/89/78/442748978.db2.gz SOYXRDLASKBQJS-QGZVFWFLSA-N 0 0 345.443 1.954 10 0 EDAERN CCC1(CO)CCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181716229 442711760 /nfs/dbraw/zinc/71/17/60/442711760.db2.gz UQXLSLRNBPEEHL-CQSZACIVSA-N 0 0 349.479 1.910 10 0 EDAERN O=C1[C@H](N2C[C@H](CO)[C@@H](c3ccsc3)C2)CCN1CC(F)(F)F ZINC000188116205 442713171 /nfs/dbraw/zinc/71/31/71/442713171.db2.gz KUAHSWZFDSOKJD-JHJVBQTASA-N 0 0 348.390 1.919 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCc3ccccc32)CC1 ZINC000181742493 442714094 /nfs/dbraw/zinc/71/40/94/442714094.db2.gz LIWGGNUHEMIMKD-IRXDYDNUSA-N 0 0 331.460 1.815 10 0 EDAERN COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000246573920 442794346 /nfs/dbraw/zinc/79/43/46/442794346.db2.gz SAUAOUAGOQKEHV-ZFVXVEAMSA-N 0 0 339.338 1.857 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1ccc(Cl)cc1 ZINC000193855638 442799870 /nfs/dbraw/zinc/79/98/70/442799870.db2.gz JTKJTLGPSXXQEJ-RNCFNFMXSA-N 0 0 326.780 1.585 10 0 EDAERN NC(=O)c1ccc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000182361271 442760482 /nfs/dbraw/zinc/76/04/82/442760482.db2.gz NNYDCBHUNRJMDN-HNNXBMFYSA-N 0 0 327.388 1.945 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccoc2Br)C[C@H]1N1CCOCC1 ZINC000193646768 442763660 /nfs/dbraw/zinc/76/36/60/442763660.db2.gz JCYOYTDYJJPTMW-ZYHUDNBSSA-N 0 0 343.221 1.835 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000193665512 442765734 /nfs/dbraw/zinc/76/57/34/442765734.db2.gz YBPHURAJQRDLIP-OAHLLOKOSA-N 0 0 331.416 1.623 10 0 EDAERN COC(=O)c1cncc(S(=O)(=O)N[C@H](C)c2cccs2)c1 ZINC000193766765 442782591 /nfs/dbraw/zinc/78/25/91/442782591.db2.gz SWUXDONCACRMAC-SECBINFHSA-N 0 0 326.399 1.969 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCN1C[C@H](C)O ZINC000246921246 442821914 /nfs/dbraw/zinc/82/19/14/442821914.db2.gz GPAKSIPLHJSJMN-WFASDCNBSA-N 0 0 337.395 1.068 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCN1C[C@H](C)O ZINC000247019910 442828506 /nfs/dbraw/zinc/82/85/06/442828506.db2.gz LUGVVHBUCVBJOC-STQMWFEESA-N 0 0 337.395 1.068 10 0 EDAERN O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(Cn2cccn2)CC1 ZINC000182916447 442847471 /nfs/dbraw/zinc/84/74/71/442847471.db2.gz WIZNTYCAHICZJH-UHFFFAOYSA-N 0 0 349.412 1.713 10 0 EDAERN Fc1ccccc1-c1noc(CN2CCO[C@H](Cn3cccn3)C2)n1 ZINC000189012519 442860738 /nfs/dbraw/zinc/86/07/38/442860738.db2.gz IFGDZPJPDJKTJI-ZDUSSCGKSA-N 0 0 343.362 1.973 10 0 EDAERN CCN(C(=O)CN[C@H](C)c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000183095015 442879209 /nfs/dbraw/zinc/87/92/09/442879209.db2.gz YQICHQCBRFISEW-CHWSQXEVSA-N 0 0 328.434 1.274 10 0 EDAERN C[C@H](C[S@](C)=O)N(C)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000248503226 442897258 /nfs/dbraw/zinc/89/72/58/442897258.db2.gz URMFRLRDOVNSSL-YKQBOZHPSA-N 0 0 346.493 1.905 10 0 EDAERN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000189237202 442902652 /nfs/dbraw/zinc/90/26/52/442902652.db2.gz QBGVXGSLBBXHMZ-HOCLYGCPSA-N 0 0 345.443 1.251 10 0 EDAERN CCCOc1cccc(CNC(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189296312 442915631 /nfs/dbraw/zinc/91/56/31/442915631.db2.gz DSLHIBKIOXGPMP-CQSZACIVSA-N 0 0 333.432 1.302 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cn1ccc(C)cc1=O ZINC000194606757 442921180 /nfs/dbraw/zinc/92/11/80/442921180.db2.gz IWFSAUDIJOUPNQ-OAHLLOKOSA-N 0 0 328.416 1.871 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2csc(NC(C)=O)n2)C1 ZINC000189326949 442922552 /nfs/dbraw/zinc/92/25/52/442922552.db2.gz UEOSZKOLQBKBSE-NWDGAFQWSA-N 0 0 337.405 1.755 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000194695026 442938139 /nfs/dbraw/zinc/93/81/39/442938139.db2.gz QQZYJOXGEZLQMY-GFCCVEGCSA-N 0 0 326.828 1.964 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000248984162 442942837 /nfs/dbraw/zinc/94/28/37/442942837.db2.gz JMWYEXKUNYHSRO-CHWSQXEVSA-N 0 0 339.386 1.794 10 0 EDAERN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@@H]1N1CCOCC1 ZINC000187881037 318557080 /nfs/dbraw/zinc/55/70/80/318557080.db2.gz RGEWJCALGRZZLB-DYVFJYSZSA-N 0 0 341.411 1.321 10 0 EDAERN Cc1c([C@H](C)NC(=O)[C@H]2CNC(=O)C2)cnn1-c1ccc(F)cc1 ZINC000194795772 442954818 /nfs/dbraw/zinc/95/48/18/442954818.db2.gz VYPKNWWCOIFSPD-CMPLNLGQSA-N 0 0 330.363 1.633 10 0 EDAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CNC(=O)C1 ZINC000194809192 442956087 /nfs/dbraw/zinc/95/60/87/442956087.db2.gz FFIPTHBASPCZCL-LBPRGKRZSA-N 0 0 329.331 1.765 10 0 EDAERN C[C@H](NC(=O)c1ccc2nncn2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000195139321 442989019 /nfs/dbraw/zinc/98/90/19/442989019.db2.gz JSUZFUQATKYCAC-NSHDSACASA-N 0 0 344.396 1.624 10 0 EDAERN COCCOCC(=O)NC1CCC(C(=O)N[C@@H](C)C2CC2)CC1 ZINC000195333488 443010937 /nfs/dbraw/zinc/01/09/37/443010937.db2.gz QDILARAYRUNPEF-GRTSSRMGSA-N 0 0 326.437 1.239 10 0 EDAERN C[C@H](c1cnccn1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000184528747 443035342 /nfs/dbraw/zinc/03/53/42/443035342.db2.gz KPXIGJAPLMDNJL-SJORKVTESA-N 0 0 342.443 1.595 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)c3cn(CC4(C)COC4)nn3)C2)c1 ZINC000184816747 443080732 /nfs/dbraw/zinc/08/07/32/443080732.db2.gz OKHUACYKZATJAR-AWEZNQCLSA-N 0 0 344.419 1.297 10 0 EDAERN COCC(=O)NC1CN(C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000185087282 443134041 /nfs/dbraw/zinc/13/40/41/443134041.db2.gz BTDGOXYDSKOMNO-KRWDZBQOSA-N 0 0 344.411 1.026 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccccc2Cl)CC1 ZINC000184973265 443109619 /nfs/dbraw/zinc/10/96/19/443109619.db2.gz BREPYUFEXUWVJK-HNNXBMFYSA-N 0 0 339.867 1.981 10 0 EDAERN O=c1oc2cccnc2n1CCN1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000225651686 443116724 /nfs/dbraw/zinc/11/67/24/443116724.db2.gz IEXHWOQBIGVQQZ-CABCVRRESA-N 0 0 343.358 1.937 10 0 EDAERN CO[C@H](C)[C@H](C)NC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000190711978 443168285 /nfs/dbraw/zinc/16/82/85/443168285.db2.gz PCFHBMCIEMNRQB-QJPTWQEYSA-N 0 0 325.413 1.190 10 0 EDAERN COc1cc(-c2nc(CN3C[C@H](O)C[C@@H]3CO)cs2)ccc1O ZINC000185187242 443157080 /nfs/dbraw/zinc/15/70/80/443157080.db2.gz FQSNGNCIHPYMNE-CHWSQXEVSA-N 0 0 336.413 1.452 10 0 EDAERN CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCNC(=O)[C@@H]1C ZINC000190993216 443221852 /nfs/dbraw/zinc/22/18/52/443221852.db2.gz NMCMOVIMOUREFT-HNNXBMFYSA-N 0 0 347.525 1.836 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000185611319 443226573 /nfs/dbraw/zinc/22/65/73/443226573.db2.gz KOINXKRDPHESRW-DIFFPNOSSA-N 0 0 349.406 1.606 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N2CCC(CO)CC2)C12CCOCC2 ZINC000185679233 443237172 /nfs/dbraw/zinc/23/71/72/443237172.db2.gz CPKATCWGUKTHSC-GJZGRUSLSA-N 0 0 326.437 1.375 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1)[C@H]1CCCO1 ZINC000191081260 443237548 /nfs/dbraw/zinc/23/75/48/443237548.db2.gz OKZPWZDOANUFRJ-PSASIEDQSA-N 0 0 331.294 1.723 10 0 EDAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc2c1OCC(=O)N2 ZINC000245884844 443254143 /nfs/dbraw/zinc/25/41/43/443254143.db2.gz KSSQYYZOXAKCEZ-HFBAOOFYSA-N 0 0 328.368 1.705 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000185788916 443257895 /nfs/dbraw/zinc/25/78/95/443257895.db2.gz DLDUVQOQUJYCSV-AWEZNQCLSA-N 0 0 330.363 1.343 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cc(C(C)=O)cn3C)CCO2)cn1 ZINC000191400265 443290200 /nfs/dbraw/zinc/29/02/00/443290200.db2.gz RNTWZCYQYUOICE-MRXNPFEDSA-N 0 0 330.388 1.658 10 0 EDAERN C[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)c1nccs1 ZINC000185965548 443291421 /nfs/dbraw/zinc/29/14/21/443291421.db2.gz VBGQNPGCJIABAT-DGCLKSJQSA-N 0 0 332.429 1.642 10 0 EDAERN O=C(CC1CCC2(CC1)OCCO2)N1CCC[C@H](n2cncn2)C1 ZINC000191237816 443264003 /nfs/dbraw/zinc/26/40/03/443264003.db2.gz CZNBIWNQWSMYTH-HNNXBMFYSA-N 0 0 334.420 1.765 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(N)cc3)C2)n1 ZINC000186013658 443297612 /nfs/dbraw/zinc/29/76/12/443297612.db2.gz MXFMTSRBAAUHOF-CQSZACIVSA-N 0 0 349.460 1.578 10 0 EDAERN O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCC[C@H]1Cn1ccnn1 ZINC000299740532 444128763 /nfs/dbraw/zinc/12/87/63/444128763.db2.gz BKNHQWJUZHDVKJ-AWEZNQCLSA-N 0 0 341.350 1.303 10 0 EDAERN CCCn1nnnc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000328605080 444391126 /nfs/dbraw/zinc/39/11/26/444391126.db2.gz MGZJHTRGLLZTOH-QWHCGFSZSA-N 0 0 348.455 1.176 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1[C@H](CNc2nccc(C)n2)CC(=O)N1C ZINC000328609372 444392342 /nfs/dbraw/zinc/39/23/42/444392342.db2.gz CZRFCKFFPGYDTE-XJKSGUPXSA-N 0 0 328.420 1.767 10 0 EDAERN Cn1c(CC(F)(F)F)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC000580645889 322077838 /nfs/dbraw/zinc/07/78/38/322077838.db2.gz BKVCYPMJKYLIAL-JTQLQIEISA-N 0 0 327.310 1.973 10 0 EDAERN CSc1cc(F)c(I)cc1S(N)(=O)=O ZINC000575706420 447882224 /nfs/dbraw/zinc/88/22/24/447882224.db2.gz ZQECBYXIRGIKMP-UHFFFAOYSA-N 0 0 347.174 1.800 10 0 EDAERN C[C@@H]1CN(C)C[C@H](c2nc(-c3ccnc(-n4ccnc4)c3)no2)O1 ZINC000527545641 448261913 /nfs/dbraw/zinc/26/19/13/448261913.db2.gz XCKZBAAQGYVXGO-DGCLKSJQSA-N 0 0 326.360 1.709 10 0 EDAERN Cc1coc(C)c1C(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2C)C1 ZINC000527580757 448308950 /nfs/dbraw/zinc/30/89/50/448308950.db2.gz SLTDIRRLBFZLBB-KGLIPLIRSA-N 0 0 330.388 1.279 10 0 EDAERN Cc1cc(C)cc(OCCC(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000583617695 448445215 /nfs/dbraw/zinc/44/52/15/448445215.db2.gz GHDRCKJJCJNOTF-SFHVURJKSA-N 0 0 344.415 1.701 10 0 EDAERN CCc1ccnc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583618089 448446633 /nfs/dbraw/zinc/44/66/33/448446633.db2.gz BPYYOUARCRPSQM-QGZVFWFLSA-N 0 0 329.404 1.550 10 0 EDAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)NCCC[S@@](C)=O)CCO2 ZINC000583619917 448451101 /nfs/dbraw/zinc/45/11/01/448451101.db2.gz XOBODBLLPJLMGN-KFOHMRLHSA-N 0 0 337.441 1.620 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1=O ZINC000583621346 448451895 /nfs/dbraw/zinc/45/18/95/448451895.db2.gz UASFATIIIXKISK-HZPDHXFCSA-N 0 0 330.359 1.630 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)NC[C@@H]2CCCS2)CCO1 ZINC000583621490 448452042 /nfs/dbraw/zinc/45/20/42/448452042.db2.gz SDDCSJNJEHOTAF-NWDGAFQWSA-N 0 0 325.438 1.277 10 0 EDAERN CN1C(=O)C[C@@H](NC(=O)c2cnc3ccccc3n2)[C@@H]1c1cccnc1 ZINC000583621057 448452243 /nfs/dbraw/zinc/45/22/43/448452243.db2.gz SRIYWAAUJDPYOQ-QAPCUYQASA-N 0 0 347.378 1.727 10 0 EDAERN CCOc1ncccc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583621076 448452250 /nfs/dbraw/zinc/45/22/50/448452250.db2.gz YQYFYAZBHNGVAL-ZBFHGGJFSA-N 0 0 340.383 1.577 10 0 EDAERN Cc1cc(C)n(CC(=O)N2CCC[C@H](Nc3ccc(N)nc3)CC2)n1 ZINC000583621863 448452683 /nfs/dbraw/zinc/45/26/83/448452683.db2.gz GEYPTGGYLRRCES-HNNXBMFYSA-N 0 0 342.447 1.970 10 0 EDAERN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@@H](n2ccnn2)C1 ZINC000585321588 448737316 /nfs/dbraw/zinc/73/73/16/448737316.db2.gz XZSPBRJJAHWURT-CYBMUJFWSA-N 0 0 326.335 1.895 10 0 EDAERN CCOC(=O)C1=CN=C2C=CC(I)=CN2[C@@H]1O ZINC000585656149 448737413 /nfs/dbraw/zinc/73/74/13/448737413.db2.gz IDWIETMSBMUOFF-SNVBAGLBSA-N 0 0 346.124 1.312 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2ccoc2C)[C@@H]1c1cnn(C)c1 ZINC000618143502 450023590 /nfs/dbraw/zinc/02/35/90/450023590.db2.gz TVOIFASTEFLBRT-HOTGVXAUSA-N 0 0 332.404 1.513 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2cccc3nnccc32)Cc2ccccc21 ZINC000616589320 450453783 /nfs/dbraw/zinc/45/37/83/450453783.db2.gz MBDBSPJBFPYJBM-ZDUSSCGKSA-N 0 0 340.408 1.980 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2ccnc(N)c2)C1 ZINC000616597427 450454521 /nfs/dbraw/zinc/45/45/21/450454521.db2.gz FHKUPXOGKAODGE-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN NC(=O)c1ccc([C@@H]2COCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000616642035 450456641 /nfs/dbraw/zinc/45/66/41/450456641.db2.gz CBNVASPEWGKPAH-INIZCTEOSA-N 0 0 346.408 1.548 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CNc2ccccc2N1S(C)(=O)=O ZINC000616682875 450460065 /nfs/dbraw/zinc/46/00/65/450460065.db2.gz DUNBMGBDURNAHL-LLVKDONJSA-N 0 0 341.433 1.771 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@H]1c1cnnc2ccccc21 ZINC000616689884 450460551 /nfs/dbraw/zinc/46/05/51/450460551.db2.gz KRMCEKPVBWXXMC-KRWDZBQOSA-N 0 0 340.408 1.781 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)nn1[C@H](C)C1CC1 ZINC000616774376 450481780 /nfs/dbraw/zinc/48/17/80/450481780.db2.gz PQLWWDFFDZEVOV-OYNZBZHQSA-N 0 0 329.404 1.463 10 0 EDAERN Cc1cccc2ncnc(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)c12 ZINC000624422865 450844904 /nfs/dbraw/zinc/84/49/04/450844904.db2.gz JELSPWRZIHECBT-HUUCEWRRSA-N 0 0 325.372 1.300 10 0 EDAERN CC(C)Oc1nccnc1NC[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000645269047 452246626 /nfs/dbraw/zinc/24/66/26/452246626.db2.gz JMUXNKDTDGPIRL-HOCLYGCPSA-N 0 0 341.415 2.290 10 0 EDAERN CN(C)S(=O)(=O)c1ccccc1N1CCC[C@@H](n2cncn2)C1 ZINC000663566425 452285532 /nfs/dbraw/zinc/28/55/32/452285532.db2.gz JGEYQDYFOCMDGR-CYBMUJFWSA-N 0 0 335.433 1.370 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nccc(C)c1Br ZINC000664270169 452952644 /nfs/dbraw/zinc/95/26/44/452952644.db2.gz FWDHZFYQWJLRGY-IUCAKERBSA-N 0 0 335.223 1.376 10 0 EDAERN Cc1nnc2n1C[C@@H](C(=O)Nc1cnn(CC(C)C)c1C)N(C)C2 ZINC000644406423 453418162 /nfs/dbraw/zinc/41/81/62/453418162.db2.gz JZZJJMGUQXATDD-AWEZNQCLSA-N 0 0 331.424 1.200 10 0 EDAERN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1Cl ZINC000074775028 486798328 /nfs/dbraw/zinc/79/83/28/486798328.db2.gz ZDAZMBRRZGBRLS-LBPRGKRZSA-N 0 0 332.853 1.600 10 0 EDAERN NC(=O)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc32)C1 ZINC000205124348 486817995 /nfs/dbraw/zinc/81/79/95/486817995.db2.gz XWNHLOGZONQOET-CYBMUJFWSA-N 0 0 341.415 1.168 10 0 EDAERN COc1cccc(CCNC(=O)N2C[C@H](F)C[C@H]2CO)c1OC ZINC000681955330 487265620 /nfs/dbraw/zinc/26/56/20/487265620.db2.gz CWFKKERBYLAMPW-OLZOCXBDSA-N 0 0 326.368 1.361 10 0 EDAERN Cc1cccc(CN2CCN(C(=O)CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000052856271 487353876 /nfs/dbraw/zinc/35/38/76/487353876.db2.gz UEEQJDYWSVYNMC-ROUUACIJSA-N 0 0 345.487 1.748 10 0 EDAERN Cn1ncc2cc([C@@H]3C(=O)NCCN3C(=O)OC(C)(C)C)ccc21 ZINC000216103181 485816005 /nfs/dbraw/zinc/81/60/05/485816005.db2.gz QBOXPHMZRSZXSD-CQSZACIVSA-N 0 0 330.388 1.981 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1CC ZINC000120840041 490998325 /nfs/dbraw/zinc/99/83/25/490998325.db2.gz WTWYONSMTUBWBN-CVEARBPZSA-N 0 0 348.509 1.318 10 0 EDAERN COCC(=O)N(C)CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000130181339 491002790 /nfs/dbraw/zinc/00/27/90/491002790.db2.gz QBTWMWXGLNNGHV-JTQLQIEISA-N 0 0 343.221 1.731 10 0 EDAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000125897706 491012395 /nfs/dbraw/zinc/01/23/95/491012395.db2.gz AKISDERGIMBESC-DLBZAZTESA-N 0 0 346.475 1.757 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(O)c1F ZINC000128208107 491017234 /nfs/dbraw/zinc/01/72/34/491017234.db2.gz SCIOQDYTBLKLTC-LLVKDONJSA-N 0 0 330.381 1.674 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)C3(O)CCCCC3)CC2)cn1 ZINC000128195706 491017254 /nfs/dbraw/zinc/01/72/54/491017254.db2.gz VEQLHBDCELXDEG-UHFFFAOYSA-N 0 0 348.491 1.978 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173671158 533843436 /nfs/dbraw/zinc/84/34/36/533843436.db2.gz VUDQSQWLHDEOMV-AWEZNQCLSA-N 0 0 334.351 1.612 10 0 EDAERN COc1cc(CNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)ccn1 ZINC000181424252 533855357 /nfs/dbraw/zinc/85/53/57/533855357.db2.gz DGTOKJMNGXYJPF-ZDUSSCGKSA-N 0 0 344.419 1.619 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@H]1N1CCOCC1 ZINC000173826609 533873635 /nfs/dbraw/zinc/87/36/35/533873635.db2.gz HCKGZPCXTJNCQA-XJKSGUPXSA-N 0 0 342.399 1.529 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3csc(C)n3)C2=O)n(C)n1 ZINC000174973997 533895586 /nfs/dbraw/zinc/89/55/86/533895586.db2.gz VDZUZFWJGNAZIP-ZDUSSCGKSA-N 0 0 347.444 1.348 10 0 EDAERN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCOC[C@@H]1CO ZINC000168543361 533919158 /nfs/dbraw/zinc/91/91/58/533919158.db2.gz WDLVVEOURJXERB-PWSUYJOCSA-N 0 0 344.205 1.436 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(N)c(Br)c1)c1ncc[nH]1 ZINC000138464257 533966429 /nfs/dbraw/zinc/96/64/29/533966429.db2.gz XDMBYEGIHIAZEX-ZETCQYMHSA-N 0 0 345.222 1.794 10 0 EDAERN Cc1ccc(CNC(=O)CN2CCC[C@@H](n3cncn3)C2)cc1F ZINC000171701528 533985832 /nfs/dbraw/zinc/98/58/32/533985832.db2.gz YAEWPMDXXXBTFX-OAHLLOKOSA-N 0 0 331.395 1.679 10 0 EDAERN C[C@@H]1C[C@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1 ZINC000167352144 534027126 /nfs/dbraw/zinc/02/71/26/534027126.db2.gz WCFOMAZAUIXTBG-RITPCOANSA-N 0 0 337.195 1.075 10 0 EDAERN Cc1ccc(S(=O)(=O)NC[C@H](C)[S@@](C)=O)c2c1NCCC2 ZINC000165395979 534210724 /nfs/dbraw/zinc/21/07/24/534210724.db2.gz CFGVSCQHSUNHMR-YBTHPKLGSA-N 0 0 330.475 1.398 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccnc3)C2)no1 ZINC000177594899 534404247 /nfs/dbraw/zinc/40/42/47/534404247.db2.gz OUTZDAIWDWOPBD-LBPRGKRZSA-N 0 0 329.360 1.193 10 0 EDAERN O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128957007 534453183 /nfs/dbraw/zinc/45/31/83/534453183.db2.gz WJORYBKAUXYKSV-MNOVXSKESA-N 0 0 343.305 1.264 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000192698047 534653156 /nfs/dbraw/zinc/65/31/56/534653156.db2.gz MWWHKSUOEUCIGI-NSHDSACASA-N 0 0 338.433 1.332 10 0 EDAERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Nc2ccncn2)C1 ZINC000333242663 534677228 /nfs/dbraw/zinc/67/72/28/534677228.db2.gz WPDILZARKOJFTP-NSHDSACASA-N 0 0 329.364 1.570 10 0 EDAERN Nc1nc(Oc2ccc(Br)cc2)nc(-n2cncn2)n1 ZINC000158561753 534748563 /nfs/dbraw/zinc/74/85/63/534748563.db2.gz PJMPQBGSGSPSGR-UHFFFAOYSA-N 0 0 334.137 1.589 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000175148322 534777169 /nfs/dbraw/zinc/77/71/69/534777169.db2.gz ZHMUWQVVFNIEPU-HNNXBMFYSA-N 0 0 327.388 1.987 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000175145891 534777853 /nfs/dbraw/zinc/77/78/53/534777853.db2.gz DXILFQBRMMWNDQ-HNNXBMFYSA-N 0 0 327.388 1.987 10 0 EDAERN CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000179564249 526530746 /nfs/dbraw/zinc/53/07/46/526530746.db2.gz UZUUSUIDQFFPFG-CQSZACIVSA-N 0 0 342.399 1.978 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000174732585 526894790 /nfs/dbraw/zinc/89/47/90/526894790.db2.gz XPAJCSQOXXBGEN-JTQLQIEISA-N 0 0 343.305 1.170 10 0 EDAERN CC(=O)Nc1nnc(S(=O)(=O)N2CCC[C@H]2C2CCC2)s1 ZINC000169971976 527106733 /nfs/dbraw/zinc/10/67/33/527106733.db2.gz ISKMWBAQCIBRTQ-JTQLQIEISA-N 0 0 330.435 1.450 10 0 EDAERN CC(C)([C@@H](Cc1cncc(Br)c1)NN)S(C)(=O)=O ZINC000161170525 527376404 /nfs/dbraw/zinc/37/64/04/527376404.db2.gz NQCVZXCJIHLDLW-SNVBAGLBSA-N 0 0 336.255 1.042 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000176591254 527950598 /nfs/dbraw/zinc/95/05/98/527950598.db2.gz QDONEDPRVVDBLP-QWHCGFSZSA-N 0 0 334.424 1.203 10 0 EDAERN CC(C)C[NH2+]CC1CCN(c2nc[n-]c(=O)c2Br)CC1 ZINC000165326070 528064484 /nfs/dbraw/zinc/06/44/84/528064484.db2.gz GHVARMYWINBVII-UHFFFAOYSA-N 0 0 343.269 1.994 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2 ZINC000154929259 528334010 /nfs/dbraw/zinc/33/40/10/528334010.db2.gz BITOWJQTLKKCQY-NSHDSACASA-N 0 0 344.423 1.394 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCc1ccccn1)CC2 ZINC000181351034 528478560 /nfs/dbraw/zinc/47/85/60/528478560.db2.gz LEBLOASTORRGAK-CQSZACIVSA-N 0 0 328.420 1.653 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCCc1cn2ccccc2n1 ZINC000184215443 528482365 /nfs/dbraw/zinc/48/23/65/528482365.db2.gz JUQKVRXFXJVQHC-INIZCTEOSA-N 0 0 330.432 1.494 10 0 EDAERN CCCc1cc(=O)n2nc(N3CCC[C@H](n4cncn4)C3)sc2n1 ZINC000173746886 528567546 /nfs/dbraw/zinc/56/75/46/528567546.db2.gz KSEIKVOKEXPIQO-LBPRGKRZSA-N 0 0 345.432 1.537 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)s1 ZINC000190590332 528651574 /nfs/dbraw/zinc/65/15/74/528651574.db2.gz RCTSCJMPMPFYKE-ZYHUDNBSSA-N 0 0 325.434 1.701 10 0 EDAERN CC(C)n1ncnc1Cn1cnc(Cl)c(Br)c1=O ZINC000164892535 528696563 /nfs/dbraw/zinc/69/65/63/528696563.db2.gz IPYWGYHFKQTSCZ-UHFFFAOYSA-N 0 0 332.589 1.880 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1cc(F)ccc1F ZINC000176575771 528703947 /nfs/dbraw/zinc/70/39/47/528703947.db2.gz VPOSIONQWADJKB-HSZRJFAPSA-N 0 0 343.359 1.420 10 0 EDAERN CCCn1c(COc2cccc(Cl)c2)nnc1S(N)(=O)=O ZINC000158414187 528820523 /nfs/dbraw/zinc/82/05/23/528820523.db2.gz LHITYTKKQNUOKN-UHFFFAOYSA-N 0 0 330.797 1.568 10 0 EDAERN CC[C@H](CC[NH3+])CNc1nc[n-]c(=O)c1I ZINC000166506277 529322339 /nfs/dbraw/zinc/32/23/39/529322339.db2.gz LRIVSGZWZVSESA-SSDOTTSWSA-N 0 0 336.177 1.161 10 0 EDAERN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1S(N)(=O)=O ZINC000147263293 529370685 /nfs/dbraw/zinc/37/06/85/529370685.db2.gz NMGITKNTKCHWCP-BDAKNGLRSA-N 0 0 334.825 1.669 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)CCC(C)C ZINC000247008508 535298770 /nfs/dbraw/zinc/29/87/70/535298770.db2.gz QVKBXXNOTJSMBB-HOCLYGCPSA-N 0 0 348.509 1.494 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)CN1CCC(c2cc[nH]n2)CC1)C(=O)OC ZINC000195505927 535657062 /nfs/dbraw/zinc/65/70/62/535657062.db2.gz QLLRLJDEZZGESL-MLGOLLRUSA-N 0 0 336.436 1.293 10 0 EDAERN CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](N2CCOCC2)C1 ZINC000247183488 535959063 /nfs/dbraw/zinc/95/90/63/535959063.db2.gz SDQWKVXDDDQJBB-NVXWUHKLSA-N 0 0 331.460 1.983 10 0 EDAERN CCn1cc([C@@H]2CN([C@@H](C(N)=O)c3ccc(F)cc3)CCO2)cn1 ZINC000248804499 536091977 /nfs/dbraw/zinc/09/19/77/536091977.db2.gz RDKQZLNTZHWPFV-JKSUJKDBSA-N 0 0 332.379 1.642 10 0 EDAERN CN(C)c1nc2ccc(NC(=O)N3CC(=O)N(C4CC4)C3)cc2o1 ZINC000333363504 536157121 /nfs/dbraw/zinc/15/71/21/536157121.db2.gz YBJYJXLFJSWIHO-UHFFFAOYSA-N 0 0 329.360 1.690 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](OC)c1ccccc1)CC2 ZINC000172306637 536164320 /nfs/dbraw/zinc/16/43/20/536164320.db2.gz WXBZPNAPRHRDIK-HUUCEWRRSA-N 0 0 343.431 1.842 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccccc1-n1cnnn1 ZINC000081450299 536296493 /nfs/dbraw/zinc/29/64/93/536296493.db2.gz HOMQWUHRMLQMHJ-LLVKDONJSA-N 0 0 331.376 1.465 10 0 EDAERN COC(=O)C[C@@H](NC(=O)CCNC(=O)CC(C)C)c1ccccc1 ZINC000132529327 536309004 /nfs/dbraw/zinc/30/90/04/536309004.db2.gz JDRJALOHBSTMSB-OAHLLOKOSA-N 0 0 334.416 1.959 10 0 EDAERN CN[C@@H](C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)c1cnn(C)c1 ZINC000262581782 536337745 /nfs/dbraw/zinc/33/77/45/536337745.db2.gz UOWLKXYFBUYJOZ-CQSZACIVSA-N 0 0 329.404 1.082 10 0 EDAERN CN[C@H](C(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1cnn(C)c1 ZINC000262296229 536387214 /nfs/dbraw/zinc/38/72/14/536387214.db2.gz ZFUCPFAXFXGRDL-HNNXBMFYSA-N 0 0 327.388 1.212 10 0 EDAERN COCCN1CCN(C(=O)C[C@H]2c3ccccc3NC2=O)C[C@H]1C ZINC000247205187 536864533 /nfs/dbraw/zinc/86/45/33/536864533.db2.gz UGBJLRNVVUWLLF-HIFRSBDPSA-N 0 0 331.416 1.292 10 0 EDAERN COc1cc(C(=O)N2CCn3c(C)nnc3C2)cc(OC)c1OC ZINC000074815814 536890353 /nfs/dbraw/zinc/89/03/53/536890353.db2.gz AWNJBZDGWZHQMA-UHFFFAOYSA-N 0 0 332.360 1.268 10 0 EDAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N[C@H]1CCCC[C@H]1CO ZINC000246266497 578329310 /nfs/dbraw/zinc/32/93/10/578329310.db2.gz RILNUUZNWSZMCA-XHSDSOJGSA-N 0 0 337.464 1.628 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cncc(SC)c1 ZINC000891874205 590665102 /nfs/dbraw/zinc/66/51/02/590665102.db2.gz IDOBHOQVYLFOHX-ZDUSSCGKSA-N 0 0 343.474 1.946 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)N(CCO)Cc2ccccc2)C1=O ZINC000888076083 590929654 /nfs/dbraw/zinc/92/96/54/590929654.db2.gz WRAJFEJZFVCADV-MRXNPFEDSA-N 0 0 334.416 1.035 10 0 EDAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000888076887 590933214 /nfs/dbraw/zinc/93/32/14/590933214.db2.gz UEXRWBHMOCRGLV-INIZCTEOSA-N 0 0 334.424 1.065 10 0 EDAERN Cc1cncc(CCC(=O)N(C)[C@H]2COC[C@H]2Oc2cnn(C)c2)c1 ZINC000888078521 590935432 /nfs/dbraw/zinc/93/54/32/590935432.db2.gz YYIRJAJVWDEQTC-DLBZAZTESA-N 0 0 344.415 1.361 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2c[nH]c(C(F)(F)F)c2)cn1 ZINC000888078491 590935562 /nfs/dbraw/zinc/93/55/62/590935562.db2.gz VYLPKGNYESIATJ-WDEREUQCSA-N 0 0 344.293 1.343 10 0 EDAERN O=C(C1CCOCC1)N1C[C@@H]2CCC[C@]2(CNc2cnccn2)C1 ZINC000888103768 591031706 /nfs/dbraw/zinc/03/17/06/591031706.db2.gz XVEHJIPSXWDKJI-YJBOKZPZSA-N 0 0 330.432 1.944 10 0 EDAERN CN(C[C@H]1CCc2nccn2C1)C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000897473316 591475999 /nfs/dbraw/zinc/47/59/99/591475999.db2.gz UZESMFWVQINODJ-CZUORRHYSA-N 0 0 338.411 1.779 10 0 EDAERN CN(C)c1nccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)n1 ZINC000895006298 591516809 /nfs/dbraw/zinc/51/68/09/591516809.db2.gz HICBJHOLHRUQSJ-CVEARBPZSA-N 0 0 325.416 1.244 10 0 EDAERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@H]2c2ccccn2)cc1 ZINC000143576212 591852936 /nfs/dbraw/zinc/85/29/36/591852936.db2.gz OGFQOAOAEPSICB-HNNXBMFYSA-N 0 0 348.384 1.325 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000105864324 595481108 /nfs/dbraw/zinc/48/11/08/595481108.db2.gz QMWNNXSYHJDSIS-MLGOLLRUSA-N 0 0 334.395 1.929 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(Cn3ncn(C)c3=S)CC2)n1 ZINC000112070932 596016448 /nfs/dbraw/zinc/01/64/48/596016448.db2.gz MJDWJCXCQJDWDE-LLVKDONJSA-N 0 0 337.453 1.233 10 0 EDAERN Cc1ccoc1CC(=O)N1CC(N2C[C@@H](c3nc(C)no3)CC2=O)C1 ZINC000864684895 596308449 /nfs/dbraw/zinc/30/84/49/596308449.db2.gz WGSUXJDNSRPTSV-LBPRGKRZSA-N 0 0 344.371 1.049 10 0 EDAERN COc1ccnc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1 ZINC000864833128 596376020 /nfs/dbraw/zinc/37/60/20/596376020.db2.gz DKKFFCIAKCLLPO-NSHDSACASA-N 0 0 343.387 1.282 10 0 EDAERN CC[C@@H]1CC(=O)N(CN2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000119341395 596520495 /nfs/dbraw/zinc/52/04/95/596520495.db2.gz DCKBBJFGDDZRAL-SJLPKXTDSA-N 0 0 331.460 1.554 10 0 EDAERN C[C@@H](OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[C@@H]1CCOC1 ZINC000175252809 697709368 /nfs/dbraw/zinc/70/93/68/697709368.db2.gz KGHDWBPTNGSLFK-VXGBXAGGSA-N 0 0 332.356 1.048 10 0 EDAERN Cn1nccc1CCNC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000185808477 705257666 /nfs/dbraw/zinc/25/76/66/705257666.db2.gz KIEUBXULFRDYDC-STQMWFEESA-N 0 0 336.436 1.772 10 0 EDAERN C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186647130 712034510 /nfs/dbraw/zinc/03/45/10/712034510.db2.gz HPNKWBDJQLDIJG-WBVHZDCISA-N 0 0 329.444 1.288 10 0 EDAERN CCCSc1nsc(NC(=O)CN(C)CC(=O)OCC)n1 ZINC000050067105 214044410 /nfs/dbraw/zinc/04/44/10/214044410.db2.gz YMFCKLSHUBTRSO-UHFFFAOYSA-N 0 0 332.451 1.474 10 0 EDAERN CO[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccccc1C(N)=S ZINC000050375050 214054755 /nfs/dbraw/zinc/05/47/55/214054755.db2.gz YBGNLEXEFYDYPP-CHWSQXEVSA-N 0 0 328.459 1.308 10 0 EDAERN O=C1NCCC[C@H]1NCc1cc2c(cc1Br)OCO2 ZINC000050394926 214055553 /nfs/dbraw/zinc/05/55/53/214055553.db2.gz LOOXQPPVFJBBGB-SNVBAGLBSA-N 0 0 327.178 1.546 10 0 EDAERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H](C)C(C)C ZINC000050650846 214063502 /nfs/dbraw/zinc/06/35/02/214063502.db2.gz RHACWLZSWJXEQU-JTQLQIEISA-N 0 0 334.463 1.455 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N1CCC(O)CC1 ZINC000050743845 214068313 /nfs/dbraw/zinc/06/83/13/214068313.db2.gz ZKOKMXTVSAJTCG-UHFFFAOYSA-N 0 0 328.210 1.873 10 0 EDAERN CCCC[C@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000050890711 214072319 /nfs/dbraw/zinc/07/23/19/214072319.db2.gz GXQRDXUKHFGGHK-VIFPVBQESA-N 0 0 338.426 1.330 10 0 EDAERN COc1cc(Br)c(OC)c(C(=O)N2CC[C@H](CO)C2)c1 ZINC000051884737 214106779 /nfs/dbraw/zinc/10/67/79/214106779.db2.gz PLOATUYNQOUENH-VIFPVBQESA-N 0 0 344.205 1.921 10 0 EDAERN CN([C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000053246793 214173083 /nfs/dbraw/zinc/17/30/83/214173083.db2.gz LGCKWPFTCPHICV-LBPRGKRZSA-N 0 0 327.475 1.036 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)CNC(=O)OCC(F)(F)F ZINC000172954465 230852456 /nfs/dbraw/zinc/85/24/56/230852456.db2.gz AGDRFTNFRMMMFM-LLVKDONJSA-N 0 0 348.321 1.996 10 0 EDAERN CCOC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000054843715 214258432 /nfs/dbraw/zinc/25/84/32/214258432.db2.gz DIFCKXNWEIPRMH-UHFFFAOYSA-N 0 0 342.417 1.594 10 0 EDAERN CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2csc(N)n2)c1 ZINC000055271846 214299054 /nfs/dbraw/zinc/29/90/54/214299054.db2.gz VAGUHMUMKQXKHA-UHFFFAOYSA-N 0 0 345.833 1.963 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)Cc3ccc(F)cc3)CCO2)[nH]1 ZINC000173736970 231019538 /nfs/dbraw/zinc/01/95/38/231019538.db2.gz QRYCYYUOLSUNLT-ZDUSSCGKSA-N 0 0 340.380 1.156 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)c2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000173963479 231083239 /nfs/dbraw/zinc/08/32/39/231083239.db2.gz TUUXWQJMJKVLOY-SWLSCSKDSA-N 0 0 336.819 1.702 10 0 EDAERN CCn1nc(C)c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1Cl ZINC000174294181 231168731 /nfs/dbraw/zinc/16/87/31/231168731.db2.gz GUZGDXMLZVMTSJ-GHMZBOCLSA-N 0 0 328.844 1.392 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCCCNC1=O ZINC000056978417 214398946 /nfs/dbraw/zinc/39/89/46/214398946.db2.gz UMYDPODGFKEAGZ-NUEKZKHPSA-N 0 0 345.443 1.616 10 0 EDAERN Cn1cc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000174650267 231268515 /nfs/dbraw/zinc/26/85/15/231268515.db2.gz SIMONBWTPFEREY-INIZCTEOSA-N 0 0 329.404 1.303 10 0 EDAERN CCc1c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cnn1CC(C)C ZINC000154071791 529479271 /nfs/dbraw/zinc/47/92/71/529479271.db2.gz SFIUJDKKDXXPCP-MAUKXSAKSA-N 0 0 348.491 1.894 10 0 EDAERN CCc1cccc(NC(=O)CNC(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000157684178 529536225 /nfs/dbraw/zinc/53/62/25/529536225.db2.gz NXQHRYKANAVCMN-CQSZACIVSA-N 0 0 332.404 1.108 10 0 EDAERN Cn1cc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)ccc1=O ZINC000174980447 231359387 /nfs/dbraw/zinc/35/93/87/231359387.db2.gz VMKZJCMGRBOZRQ-UHFFFAOYSA-N 0 0 328.372 1.845 10 0 EDAERN OC[C@@H](CNc1cc(N2CCC[C@@H]2CO)ncn1)c1ccccc1 ZINC000174929748 231348129 /nfs/dbraw/zinc/34/81/29/231348129.db2.gz NNLMFWRCVLTONZ-HZPDHXFCSA-N 0 0 328.416 1.626 10 0 EDAERN COCCS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175221986 231407723 /nfs/dbraw/zinc/40/77/23/231407723.db2.gz OLIIJHMRSCEBCT-OLZOCXBDSA-N 0 0 348.490 1.076 10 0 EDAERN CC[C@H](C)CN(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000125896974 222625021 /nfs/dbraw/zinc/62/50/21/222625021.db2.gz KOPFKIJEDNCMNE-RYUDHWBXSA-N 0 0 337.445 1.618 10 0 EDAERN CCc1cnc(CNC(=O)N2CCN(C[C@@H](O)CC)CC2)s1 ZINC000181865816 529648185 /nfs/dbraw/zinc/64/81/85/529648185.db2.gz QWNAEOQGERVELH-LBPRGKRZSA-N 0 0 326.466 1.304 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC(=O)N1S(C)(=O)=O ZINC000049676804 214026533 /nfs/dbraw/zinc/02/65/33/214026533.db2.gz XVZPXDHSFBLRLQ-LLVKDONJSA-N 0 0 330.793 1.538 10 0 EDAERN O=C(NCCN1CCOCC1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000049684220 214026570 /nfs/dbraw/zinc/02/65/70/214026570.db2.gz NLYBYDSMYKFMOP-UHFFFAOYSA-N 0 0 336.779 1.452 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000049684106 214026164 /nfs/dbraw/zinc/02/61/64/214026164.db2.gz PTXZCGAZBREUKE-JTQLQIEISA-N 0 0 341.776 1.307 10 0 EDAERN Cc1cc(C(=O)NCc2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049682769 214026174 /nfs/dbraw/zinc/02/61/74/214026174.db2.gz FKPZMMODPBUGHA-CQSZACIVSA-N 0 0 333.413 1.481 10 0 EDAERN Cc1cc(C(=O)NCc2ccccc2C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049682774 214026003 /nfs/dbraw/zinc/02/60/03/214026003.db2.gz NEMLOOFLVICUHY-OAHLLOKOSA-N 0 0 347.440 1.790 10 0 EDAERN COC(=O)c1cccc(NC(=O)CCc2nn3cnnc3s2)c1 ZINC000049662728 214025305 /nfs/dbraw/zinc/02/53/05/214025305.db2.gz RKPDDGLESNPNIY-UHFFFAOYSA-N 0 0 331.357 1.544 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(OC)cc3)CCO2)[nH]1 ZINC000178012886 529700232 /nfs/dbraw/zinc/70/02/32/529700232.db2.gz SJDDQBVGVBFDPZ-ZDUSSCGKSA-N 0 0 331.376 1.981 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(=O)n(C)c2)cc1 ZINC000180980865 529704404 /nfs/dbraw/zinc/70/44/04/529704404.db2.gz GYFFXIZTIPAMHO-GFCCVEGCSA-N 0 0 327.384 1.764 10 0 EDAERN Clc1nc(-n2cccn2)nc(-n2cc(Br)cn2)n1 ZINC000061542992 214665691 /nfs/dbraw/zinc/66/56/91/214665691.db2.gz CIWLBTNZFAEZSF-UHFFFAOYSA-N 0 0 326.545 1.659 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)CNS(=O)(=O)CCCOC)cc1 ZINC000152807576 529720007 /nfs/dbraw/zinc/72/00/07/529720007.db2.gz QNOKSSDACSNFFO-ZDUSSCGKSA-N 0 0 342.461 1.382 10 0 EDAERN CC1(C)CN2C(=O)CN(C(=O)N3CCOCC3)C[C@H]2c2ccccc21 ZINC000062142536 214701513 /nfs/dbraw/zinc/70/15/13/214701513.db2.gz DXUIYOVLWIJORJ-INIZCTEOSA-N 0 0 343.427 1.615 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000129434461 529766884 /nfs/dbraw/zinc/76/68/84/529766884.db2.gz SECOTILKCXLSSY-UHFFFAOYSA-N 0 0 348.838 1.778 10 0 EDAERN O=C(CN1CCN(c2ccc(F)cc2)C1=O)N[C@@H]1CCSC1=O ZINC000049380723 214003361 /nfs/dbraw/zinc/00/33/61/214003361.db2.gz JBPIGVFVRLKCKJ-GFCCVEGCSA-N 0 0 337.376 1.216 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000166768731 529901632 /nfs/dbraw/zinc/90/16/32/529901632.db2.gz RYGKLBJNEUXCSQ-HNNXBMFYSA-N 0 0 325.368 1.515 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000156180811 529902332 /nfs/dbraw/zinc/90/23/32/529902332.db2.gz CEAHLBGIIFSJIW-CJNGLKHVSA-N 0 0 330.432 1.358 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCn1c(C)nc2ccccc21 ZINC000155066724 529902374 /nfs/dbraw/zinc/90/23/74/529902374.db2.gz SIVVYFINOIRBRL-INIZCTEOSA-N 0 0 343.431 1.655 10 0 EDAERN CNC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000171965182 529921001 /nfs/dbraw/zinc/92/10/01/529921001.db2.gz ITHSDFQXKLAQOM-TZMCWYRMSA-N 0 0 332.404 1.324 10 0 EDAERN CN1CCC(=O)Nc2cc(C(=O)NC[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000175173906 530047732 /nfs/dbraw/zinc/04/77/32/530047732.db2.gz PCKYVIQZSSTVAH-BBRMVZONSA-N 0 0 331.416 1.746 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(F)nc3)C2=O)n(C)n1 ZINC000178033364 232064381 /nfs/dbraw/zinc/06/43/81/232064381.db2.gz OJWFRSAFLVPULO-GFCCVEGCSA-N 0 0 346.366 1.580 10 0 EDAERN CN1C(=O)C(=O)N(CC(=O)c2ccccc2Br)C1=O ZINC000047820015 213869914 /nfs/dbraw/zinc/86/99/14/213869914.db2.gz WFIKSOSKPWSMHL-UHFFFAOYSA-N 0 0 325.118 1.052 10 0 EDAERN C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101841906 219167163 /nfs/dbraw/zinc/16/71/63/219167163.db2.gz SJSOJXVJXWYDPF-WOPDTQHZSA-N 0 0 338.367 1.841 10 0 EDAERN Cc1cccc(C)c1OCC(=O)N[C@@H](CO)[C@H](O)c1ccc(N)cc1 ZINC000066142124 215016966 /nfs/dbraw/zinc/01/69/66/215016966.db2.gz DJTMWOGRBOUIRJ-FUHWJXTLSA-N 0 0 344.411 1.475 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC1(C)CCCC1 ZINC000066442915 215043771 /nfs/dbraw/zinc/04/37/71/215043771.db2.gz IJZAKMSIVWXKAW-LBPRGKRZSA-N 0 0 349.456 1.810 10 0 EDAERN CN(C)C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1 ZINC000154245526 539571454 /nfs/dbraw/zinc/57/14/54/539571454.db2.gz TUNBHCVMLBZXRP-HOTGVXAUSA-N 0 0 326.462 1.778 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cnc(Cl)cn1 ZINC000192670425 295779476 /nfs/dbraw/zinc/77/94/76/295779476.db2.gz BLHJXCVPSTXVKO-SNVBAGLBSA-N 0 0 337.788 1.779 10 0 EDAERN COCCn1ccnc1CN1CCc2nc[nH]c2[C@@H]1c1ccccn1 ZINC000067447300 215146489 /nfs/dbraw/zinc/14/64/89/215146489.db2.gz SBTABYGXAZUDFV-SFHVURJKSA-N 0 0 338.415 1.795 10 0 EDAERN COC[C@@H](O)CN(C)C(=O)CSc1nc2ccccc2s1 ZINC000042500098 213509614 /nfs/dbraw/zinc/50/96/14/213509614.db2.gz IUUNJCZQDMVODN-JTQLQIEISA-N 0 0 326.443 1.854 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)CC1 ZINC000068258475 215293942 /nfs/dbraw/zinc/29/39/42/215293942.db2.gz KDGPYAGOPUQZGB-BBRMVZONSA-N 0 0 331.416 1.180 10 0 EDAERN CCCN(CCC)C(=O)[C@H]1CCCN(S(=O)(=O)CCOC)C1 ZINC000041210231 213431627 /nfs/dbraw/zinc/43/16/27/213431627.db2.gz CRUQXTFORVPJTL-AWEZNQCLSA-N 0 0 334.482 1.323 10 0 EDAERN COC[C@H](C)C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000103520943 219311361 /nfs/dbraw/zinc/31/13/61/219311361.db2.gz ULSQLKYBMUEJHV-JQWIXIFHSA-N 0 0 335.322 1.844 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCOC1 ZINC000103961208 219332951 /nfs/dbraw/zinc/33/29/51/219332951.db2.gz ZNBFRDBSCNVVHT-VIFPVBQESA-N 0 0 335.223 1.489 10 0 EDAERN CNC(=O)Cc1nc(CN2CC[C@H](Oc3cccnc3)C2)cs1 ZINC000152225104 539802652 /nfs/dbraw/zinc/80/26/52/539802652.db2.gz SNDZUTQPOWGJIJ-AWEZNQCLSA-N 0 0 332.429 1.480 10 0 EDAERN CCn1ccc(=O)n(CC(=O)c2sccc2Br)c1=O ZINC000104291696 219371119 /nfs/dbraw/zinc/37/11/19/219371119.db2.gz IDQPQDCTTDADDY-UHFFFAOYSA-N 0 0 343.202 1.737 10 0 EDAERN Cn1ccnc1C1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000095513160 282740996 /nfs/dbraw/zinc/74/09/96/282740996.db2.gz LARSBYZGKKJTRN-GFCCVEGCSA-N 0 0 336.461 1.136 10 0 EDAERN COCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000040838664 213392634 /nfs/dbraw/zinc/39/26/34/213392634.db2.gz YEEXTAMPCRZCJJ-UHFFFAOYSA-N 0 0 338.429 1.443 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(N)c2N)cc1 ZINC000040723848 213376065 /nfs/dbraw/zinc/37/60/65/213376065.db2.gz MROBZKSLCNXVBL-UHFFFAOYSA-N 0 0 336.421 1.415 10 0 EDAERN CCNc1ncc(C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000069146337 215364415 /nfs/dbraw/zinc/36/44/15/215364415.db2.gz XACSZWZGRTVVJG-JTQLQIEISA-N 0 0 331.825 1.474 10 0 EDAERN C[C@@H](CNC(=O)CCS(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000040653134 213365145 /nfs/dbraw/zinc/36/51/45/213365145.db2.gz FGBATQIAJFPXSU-HNNXBMFYSA-N 0 0 338.473 1.841 10 0 EDAERN CC(C)CC[C@@H](C)NS(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000069235684 215372424 /nfs/dbraw/zinc/37/24/24/215372424.db2.gz OFVAKMYMZHYBNQ-LLVKDONJSA-N 0 0 334.463 1.437 10 0 EDAERN CCOC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000040617711 213359570 /nfs/dbraw/zinc/35/95/70/213359570.db2.gz YBKQXZRYWFSLRA-UHFFFAOYSA-N 0 0 339.351 1.786 10 0 EDAERN COc1ccc(NC(=O)c2cccnc2)cc1N1CCCS1(=O)=O ZINC000040617501 213359721 /nfs/dbraw/zinc/35/97/21/213359721.db2.gz WUZHAJXBJCJGNA-UHFFFAOYSA-N 0 0 347.396 1.882 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@]3(O)CCSC3)CC2)cs1 ZINC000152739723 539829931 /nfs/dbraw/zinc/82/99/31/539829931.db2.gz SGTMHQBLHXKTGY-OAHLLOKOSA-N 0 0 341.502 1.354 10 0 EDAERN O=S(=O)(c1cccc(F)c1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000180967101 234047295 /nfs/dbraw/zinc/04/72/95/234047295.db2.gz WOKGZYHWHHITQM-LLVKDONJSA-N 0 0 342.371 1.657 10 0 EDAERN C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(Cl)cc1 ZINC000153261811 539861107 /nfs/dbraw/zinc/86/11/07/539861107.db2.gz DZSPTOZVGSQKRW-SECBINFHSA-N 0 0 343.774 1.973 10 0 EDAERN Cc1nc(-c2nc[nH]n2)sc1C(=O)NCCN1CCCCCC1=O ZINC000069442875 215417685 /nfs/dbraw/zinc/41/76/85/215417685.db2.gz JRLXFTNBUDPQOK-UHFFFAOYSA-N 0 0 348.432 1.369 10 0 EDAERN CC(=O)Nc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1C ZINC000127521721 222852658 /nfs/dbraw/zinc/85/26/58/222852658.db2.gz ZUMPKTRXBAWWLT-VXGBXAGGSA-N 0 0 326.418 1.751 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000246900327 535248225 /nfs/dbraw/zinc/24/82/25/535248225.db2.gz AHQSGQJQTMXLBC-OAHLLOKOSA-N 0 0 343.497 1.584 10 0 EDAERN C[C@H](O)c1nc2ccccc2n1CC(=O)NCC(=O)OC(C)(C)C ZINC000182872615 234795951 /nfs/dbraw/zinc/79/59/51/234795951.db2.gz XQYCDTIEWVNNAR-NSHDSACASA-N 0 0 333.388 1.548 10 0 EDAERN C[C@H]1C[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000183047609 291037900 /nfs/dbraw/zinc/03/79/00/291037900.db2.gz WZTKQNCBDOYQOJ-UONOGXRCSA-N 0 0 330.494 1.943 10 0 EDAERN CC(C)(C)c1noc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000105817131 219539281 /nfs/dbraw/zinc/53/92/81/219539281.db2.gz VEEFXIQONMEBEB-UHFFFAOYSA-N 0 0 342.407 1.127 10 0 EDAERN COc1ccc(C(=O)Nc2cc(C(=O)N(C)C)cn(C)c2=O)cc1 ZINC000038491956 213211680 /nfs/dbraw/zinc/21/16/80/213211680.db2.gz OSCTZBKIDRGIDN-UHFFFAOYSA-N 0 0 329.356 1.348 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000175915558 540099229 /nfs/dbraw/zinc/09/92/29/540099229.db2.gz ZWIDNQMHJLKDHZ-UHFFFAOYSA-N 0 0 325.376 1.653 10 0 EDAERN O=C(c1c[nH]c2ccccc21)N1CSC[C@H]1C(=O)N1CCCO1 ZINC000183638984 235177247 /nfs/dbraw/zinc/17/72/47/235177247.db2.gz FQTHPDNTXFTVIM-AWEZNQCLSA-N 0 0 331.397 1.847 10 0 EDAERN CC[C@H](C)Oc1cc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)ccn1 ZINC000180836022 540123245 /nfs/dbraw/zinc/12/32/45/540123245.db2.gz AYTSATRTXPEXOC-SWLSCSKDSA-N 0 0 336.436 1.829 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccn(-c2ccc(F)cc2C)n1)C(C)C ZINC000183469303 540138631 /nfs/dbraw/zinc/13/86/31/540138631.db2.gz HTJHOJKWMFWGQA-OAHLLOKOSA-N 0 0 332.379 1.820 10 0 EDAERN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000186110775 540150376 /nfs/dbraw/zinc/15/03/76/540150376.db2.gz RDZXRKSOSBEGGP-HOCLYGCPSA-N 0 0 338.473 1.558 10 0 EDAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000186876720 540152362 /nfs/dbraw/zinc/15/23/62/540152362.db2.gz ZUMLRDPAVLNYPJ-SUMWQHHRSA-N 0 0 330.432 1.881 10 0 EDAERN CCOc1cnc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000187355018 540154590 /nfs/dbraw/zinc/15/45/90/540154590.db2.gz YICGFVHAELBYDY-LLVKDONJSA-N 0 0 330.392 1.335 10 0 EDAERN COc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000193389005 540182623 /nfs/dbraw/zinc/18/26/23/540182623.db2.gz BXJVVYPKSKKDLM-CYBMUJFWSA-N 0 0 343.387 1.397 10 0 EDAERN COCCN1C[C@H](C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)CC1=O ZINC000105848968 219558834 /nfs/dbraw/zinc/55/88/34/219558834.db2.gz NGZCXYJUFMTJDD-CABCVRRESA-N 0 0 348.447 1.195 10 0 EDAERN COc1cc(N)ccc1NC(=O)Cn1cc(Br)cn1 ZINC000038054008 213198203 /nfs/dbraw/zinc/19/82/03/213198203.db2.gz JCMJEEIUTINYCL-UHFFFAOYSA-N 0 0 325.166 1.875 10 0 EDAERN CCCc1nc(CN2CCN([C@@H](C)c3nc(CC)no3)CC2)no1 ZINC000105865444 219567932 /nfs/dbraw/zinc/56/79/32/219567932.db2.gz BPZVQZFELAMGQI-LBPRGKRZSA-N 0 0 334.424 1.846 10 0 EDAERN Cn1cc(S(=O)(=O)Nc2cc(N)ccc2Cl)cc1C(N)=O ZINC000038033763 213194754 /nfs/dbraw/zinc/19/47/54/213194754.db2.gz NGDUNHBGSYWQFF-UHFFFAOYSA-N 0 0 328.781 1.160 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCC(=O)NCc1ccccc1 ZINC000072051711 138206972 /nfs/dbraw/zinc/20/69/72/138206972.db2.gz KSAAVJGDEKZSLX-CYBMUJFWSA-N 0 0 343.383 1.221 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)o1 ZINC000077538229 138252953 /nfs/dbraw/zinc/25/29/53/138252953.db2.gz BOPBDKZANOFZBD-SNVBAGLBSA-N 0 0 343.339 1.849 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000083740974 138269332 /nfs/dbraw/zinc/26/93/32/138269332.db2.gz UJBYIGYAKJLRAS-ZIAGYGMSSA-N 0 0 348.451 1.512 10 0 EDAERN Cc1nnnn1-c1cc(NC(=O)N[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000103292277 138298996 /nfs/dbraw/zinc/29/89/96/138298996.db2.gz MDVRXEFWSHIPEU-OCCSQVGLSA-N 0 0 334.355 1.535 10 0 EDAERN O=C(CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CCCCCC1 ZINC000105212171 138300862 /nfs/dbraw/zinc/30/08/62/138300862.db2.gz MKHWQVMLTPCMNF-MRXNPFEDSA-N 0 0 336.480 1.659 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn(C(C)C)c1C ZINC000092501225 138289197 /nfs/dbraw/zinc/28/91/97/138289197.db2.gz JAUCYCMSWYRDQT-ZDUSSCGKSA-N 0 0 332.408 1.775 10 0 EDAERN NNc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc[nH+]1 ZINC000038008938 213188608 /nfs/dbraw/zinc/18/86/08/213188608.db2.gz KUULKDPSFDPIJB-UHFFFAOYSA-N 0 0 343.206 1.931 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccnn2C)C12CCCC2 ZINC000119092781 138313535 /nfs/dbraw/zinc/31/35/35/138313535.db2.gz HGUDNXNIRUNWTJ-STQMWFEESA-N 0 0 334.420 1.555 10 0 EDAERN Cc1ncc(CN2CCN(CC(=O)N(C)Cc3ccco3)CC2)s1 ZINC000105911147 138302559 /nfs/dbraw/zinc/30/25/59/138302559.db2.gz CBBUMDSEUSZQFM-UHFFFAOYSA-N 0 0 348.472 1.821 10 0 EDAERN CCn1cnnc1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000105928277 138302773 /nfs/dbraw/zinc/30/27/73/138302773.db2.gz LDHACBCBRMWZRJ-UHFFFAOYSA-N 0 0 348.451 1.198 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@H](C)OCCC(C)C)CC2)no1 ZINC000109923191 138306716 /nfs/dbraw/zinc/30/67/16/138306716.db2.gz LCNFMEMDVRECFQ-AWEZNQCLSA-N 0 0 338.452 1.864 10 0 EDAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000110227301 138306802 /nfs/dbraw/zinc/30/68/02/138306802.db2.gz RPYIPGUEVGCJBU-BUWFCSEKSA-N 0 0 329.400 1.624 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(OCCOC)c1)CC2 ZINC000114868294 138310625 /nfs/dbraw/zinc/31/06/25/138310625.db2.gz UFXRCGDNLHINAV-AWEZNQCLSA-N 0 0 344.415 1.611 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)cn1 ZINC000116311170 138311820 /nfs/dbraw/zinc/31/18/20/138311820.db2.gz GUFBIDCWSKYFPY-ZDUSSCGKSA-N 0 0 342.399 1.619 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124553658 138327695 /nfs/dbraw/zinc/32/76/95/138327695.db2.gz FBHSLPWLHDERTC-LBPRGKRZSA-N 0 0 330.388 1.538 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000124758678 138329431 /nfs/dbraw/zinc/32/94/31/138329431.db2.gz BRQGCZUCHFMMJF-CYBMUJFWSA-N 0 0 331.416 1.908 10 0 EDAERN CCC[C@](C)(O)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000126260014 138337872 /nfs/dbraw/zinc/33/78/72/138337872.db2.gz SJBHAJLAYJURFL-KRWDZBQOSA-N 0 0 336.436 1.532 10 0 EDAERN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CC[C@H](N2CCOCC2)C1 ZINC000130629545 138343277 /nfs/dbraw/zinc/34/32/77/138343277.db2.gz BYOUTECMKVDLAQ-WZGPROSRSA-N 0 0 341.455 1.831 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCCCS(=O)(=O)Cc2ccccc2)O1 ZINC000130914339 138349494 /nfs/dbraw/zinc/34/94/94/138349494.db2.gz GMEVXOVOGUKLIP-ZFWWWQNUSA-N 0 0 325.430 1.675 10 0 EDAERN COc1cc(C=O)cc(Br)c1OCCS(C)(=O)=O ZINC000037743961 213164774 /nfs/dbraw/zinc/16/47/74/213164774.db2.gz APSCVACRWKSLTH-UHFFFAOYSA-N 0 0 337.191 1.694 10 0 EDAERN CC(C)C[C@H](C)N(C)C(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000131356189 138358046 /nfs/dbraw/zinc/35/80/46/138358046.db2.gz ROFHNBKKOYBXLS-AMXDTQDGSA-N 0 0 329.470 1.396 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000132008980 138369671 /nfs/dbraw/zinc/36/96/71/138369671.db2.gz TYGXSNHHVZYTMN-OAHLLOKOSA-N 0 0 341.415 1.255 10 0 EDAERN CCCn1cnc2c1c(=O)n(CC)c(=O)n2-c1cccc(OC)c1 ZINC000037559323 213157159 /nfs/dbraw/zinc/15/71/59/213157159.db2.gz MIXFPCKLLXEPOH-UHFFFAOYSA-N 0 0 328.372 1.787 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000186838724 236038075 /nfs/dbraw/zinc/03/80/75/236038075.db2.gz DFMAGVYXIOWVDV-KBPBESRZSA-N 0 0 329.404 1.698 10 0 EDAERN C[C@@H](COc1ccc(F)cc1Br)CS(N)(=O)=O ZINC000070065265 215674522 /nfs/dbraw/zinc/67/45/22/215674522.db2.gz VFGIMTYOEXDOMX-ZETCQYMHSA-N 0 0 326.187 1.892 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3[C@H](C)COC[C@H]3C)[nH]c(=O)n2)cc1 ZINC000036236779 213078924 /nfs/dbraw/zinc/07/89/24/213078924.db2.gz KRDQENHWVCFCCK-VXGBXAGGSA-N 0 0 343.383 1.695 10 0 EDAERN O=C(CCOc1ccccc1)NCCS(=O)(=O)N1CCCCC1 ZINC000036110872 213070495 /nfs/dbraw/zinc/07/04/95/213070495.db2.gz BXCSUQFQKNGSTA-UHFFFAOYSA-N 0 0 340.445 1.387 10 0 EDAERN CN1CCN(C(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000036109841 213070326 /nfs/dbraw/zinc/07/03/26/213070326.db2.gz YGZUPCZYMPTPKH-INIZCTEOSA-N 0 0 343.452 1.993 10 0 EDAERN NC(=O)c1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187598546 236255629 /nfs/dbraw/zinc/25/56/29/236255629.db2.gz OWQNSEUGYJCINR-GJZGRUSLSA-N 0 0 330.409 1.695 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000187801705 236304199 /nfs/dbraw/zinc/30/41/99/236304199.db2.gz WARKJQBMBZKQDY-QMMMGPOBSA-N 0 0 338.355 1.488 10 0 EDAERN CCOC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000035507865 213033519 /nfs/dbraw/zinc/03/35/19/213033519.db2.gz PWSCOWMOKBAKKA-UHFFFAOYSA-N 0 0 328.372 1.887 10 0 EDAERN CC(C)OC(=O)CCCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000126693896 138612618 /nfs/dbraw/zinc/61/26/18/138612618.db2.gz QMEIQQQRGFNFEF-LBPRGKRZSA-N 0 0 337.424 1.706 10 0 EDAERN C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)C(=O)[O-] ZINC000035387605 213024631 /nfs/dbraw/zinc/02/46/31/213024631.db2.gz QYTUHYOKEGBXPQ-VIFPVBQESA-N 0 0 329.194 1.470 10 0 EDAERN O=C(Nc1cccc(I)c1)C1=NNC(=O)CC1 ZINC000035127262 213009853 /nfs/dbraw/zinc/00/98/53/213009853.db2.gz LYOSSDPYJQCMPJ-UHFFFAOYSA-N 0 0 343.124 1.496 10 0 EDAERN Cc1cc(NC(=O)CSC[C@H]([NH3+])C(=O)[O-])ccc1Br ZINC000035082775 213007431 /nfs/dbraw/zinc/00/74/31/213007431.db2.gz NXVJXUUHPKCESP-JTQLQIEISA-N 0 0 347.234 1.841 10 0 EDAERN O=C(CN1CCOCC1)c1ccc(I)cc1 ZINC000035021477 213005068 /nfs/dbraw/zinc/00/50/68/213005068.db2.gz WZGSXELDOLLGRH-UHFFFAOYSA-N 0 0 331.153 1.806 10 0 EDAERN CCn1ncc2ccc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)cc21 ZINC000173898735 138676562 /nfs/dbraw/zinc/67/65/62/138676562.db2.gz FEMDQZZJFKBFES-MRXNPFEDSA-N 0 0 343.431 1.995 10 0 EDAERN CCc1nc2c(cnn2C)c(N2CCN(c3ccccc3O)CC2)n1 ZINC000072133502 216022542 /nfs/dbraw/zinc/02/25/42/216022542.db2.gz RBSRPVMUTUDXAG-UHFFFAOYSA-N 0 0 338.415 1.958 10 0 EDAERN COCC(COC)S(=O)(=O)Nc1ccccc1Br ZINC000641644349 452160614 /nfs/dbraw/zinc/16/06/14/452160614.db2.gz CCDMZAQQRYRVQO-UHFFFAOYSA-N 0 0 338.223 1.852 10 0 EDAERN CCCN[C@H](C(N)=O)c1cc(OC)c(OC)cc1Br ZINC000037895137 213172557 /nfs/dbraw/zinc/17/25/57/213172557.db2.gz XAVYJZVLEBSVRP-LBPRGKRZSA-N 0 0 331.210 1.992 10 0 EDAERN CCc1ccc(N2CN(CCO)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000072441961 216235061 /nfs/dbraw/zinc/23/50/61/216235061.db2.gz VRGCFKROGAUEJM-UHFFFAOYSA-N 0 0 328.416 1.784 10 0 EDAERN CCOC(=O)c1ccc(-n2ccc3c(nnc4ncnn43)c2=O)cc1 ZINC000072452198 216240177 /nfs/dbraw/zinc/24/01/77/216240177.db2.gz JQJQCOAMHNRSBT-UHFFFAOYSA-N 0 0 336.311 1.000 10 0 EDAERN COC(=O)Cc1nn(C)c2c1nnc1c(-c3ccccc3)c(C)nn12 ZINC000072462403 216243771 /nfs/dbraw/zinc/24/37/71/216243771.db2.gz SRXXCSVVJLVCAD-UHFFFAOYSA-N 0 0 336.355 1.702 10 0 EDAERN COC(=O)c1cnn2c1nnc1c2ccn(-c2cccc(C)c2)c1=O ZINC000072466097 216247187 /nfs/dbraw/zinc/24/71/87/216247187.db2.gz FSAOEGWKMUJYBO-UHFFFAOYSA-N 0 0 335.323 1.523 10 0 EDAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000185905459 138810376 /nfs/dbraw/zinc/81/03/76/138810376.db2.gz RJKZFKOUVIQRQS-CYBMUJFWSA-N 0 0 349.412 1.902 10 0 EDAERN Cc1cccc(NC(=O)CSc2nn3c(nnc(C)c3=O)s2)c1 ZINC000027526541 212561957 /nfs/dbraw/zinc/56/19/57/212561957.db2.gz XJAQDPZFKDDFOW-UHFFFAOYSA-N 0 0 347.425 1.894 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CCCC(=O)NC(C)C)C12CCOCC2 ZINC000186470363 138816921 /nfs/dbraw/zinc/81/69/21/138816921.db2.gz BRPUEJPHLVAVKC-LSDHHAIUSA-N 0 0 340.464 1.772 10 0 EDAERN O=C(CSC[C@H]1CCCCO1)N1CC(NC(=O)C2CCC2)C1 ZINC000188549477 138844571 /nfs/dbraw/zinc/84/45/71/138844571.db2.gz XFYVGHJOKQBUTH-CQSZACIVSA-N 0 0 326.462 1.416 10 0 EDAERN CN(C[C@H]1CCCN1c1cccnn1)c1ncc(C(N)=O)cc1Cl ZINC000108946966 219934582 /nfs/dbraw/zinc/93/45/82/219934582.db2.gz HYFXELQSZINSNH-GFCCVEGCSA-N 0 0 346.822 1.729 10 0 EDAERN CN1C(=S)N=NC1CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109124577 219949215 /nfs/dbraw/zinc/94/92/15/219949215.db2.gz TYQNKBQNPRRRCK-UWVGGRQHSA-N 0 0 338.383 1.844 10 0 EDAERN NC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000189156933 138862794 /nfs/dbraw/zinc/86/27/94/138862794.db2.gz PBUXJQMJYKFKRS-AAEUAGOBSA-N 0 0 346.412 1.482 10 0 EDAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189392461 138870659 /nfs/dbraw/zinc/87/06/59/138870659.db2.gz HWIQHJKCPOLLTC-UHFFFAOYSA-N 0 0 327.388 1.005 10 0 EDAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000132776952 223361442 /nfs/dbraw/zinc/36/14/42/223361442.db2.gz DQZCCYRRZPVWJU-CYBMUJFWSA-N 0 0 346.387 1.732 10 0 EDAERN O=C([C@@H]1CCCO1)N1CCc2c(c(CO)nn2Cc2ccccc2)C1 ZINC000075874439 216662829 /nfs/dbraw/zinc/66/28/29/216662829.db2.gz LOLPAUCHYZVDGP-SFHVURJKSA-N 0 0 341.411 1.487 10 0 EDAERN CCc1noc(CC)c1CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000133033640 223383686 /nfs/dbraw/zinc/38/36/86/223383686.db2.gz GBBBCBHYHDYRGX-GFCCVEGCSA-N 0 0 332.408 1.938 10 0 EDAERN C[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000109944227 220004494 /nfs/dbraw/zinc/00/44/94/220004494.db2.gz DOCJEOWKRKMMIY-BBRMVZONSA-N 0 0 331.416 1.438 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c(Cl)cc1F ZINC000190988778 138901837 /nfs/dbraw/zinc/90/18/37/138901837.db2.gz KJYGBGNZHRSTJJ-SECBINFHSA-N 0 0 334.800 1.687 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CC(c4cccnc4)=NO3)C2)c1 ZINC000191348962 138911511 /nfs/dbraw/zinc/91/15/11/138911511.db2.gz DZRIBYZYGPNSND-WBVHZDCISA-N 0 0 339.399 1.943 10 0 EDAERN Cc1cnc(C(=O)N2Cc3ccnn3[C@H](COCC3CC3)C2)cn1 ZINC000253601299 244035027 /nfs/dbraw/zinc/03/50/27/244035027.db2.gz ORGRYPZABTZNLA-HNNXBMFYSA-N 0 0 327.388 1.605 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CNC(=O)CCC(C)C)CCO2)cn1 ZINC000191787972 138924139 /nfs/dbraw/zinc/92/41/39/138924139.db2.gz WFSRHETUSMKNNQ-HNNXBMFYSA-N 0 0 336.436 1.355 10 0 EDAERN CCOC[C@H](NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)C(C)C ZINC000191787333 138924153 /nfs/dbraw/zinc/92/41/53/138924153.db2.gz UXWUQWPDNTYQGJ-CVEARBPZSA-N 0 0 338.452 1.663 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)C1 ZINC000191791113 138924264 /nfs/dbraw/zinc/92/42/64/138924264.db2.gz NJWUPUAHWYVYGU-HIFRSBDPSA-N 0 0 334.420 1.061 10 0 EDAERN O=C(CCN1CCOCC1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000020451453 212130894 /nfs/dbraw/zinc/13/08/94/212130894.db2.gz NMFAHRJXCFGEES-KRWDZBQOSA-N 0 0 335.423 1.951 10 0 EDAERN C[C@@H](CNS(=O)(=O)C1=Cc2ccccc2OC1)N1CCOCC1 ZINC000191876569 138927067 /nfs/dbraw/zinc/92/70/67/138927067.db2.gz NGFPOSSHBWEGCB-ZDUSSCGKSA-N 0 0 338.429 1.060 10 0 EDAERN COCCNC(=O)Cn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000020157658 212107755 /nfs/dbraw/zinc/10/77/55/212107755.db2.gz JKLMRXPZZYNFEW-SNVBAGLBSA-N 0 0 349.456 1.654 10 0 EDAERN C[C@H](NC(=O)Nc1cnns1)c1ccc(S(C)(=O)=O)cc1 ZINC000192330961 138942452 /nfs/dbraw/zinc/94/24/52/138942452.db2.gz IULMXEYMPDAUMI-QMMMGPOBSA-N 0 0 326.403 1.824 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cc(C)nn1C ZINC000246807845 284166755 /nfs/dbraw/zinc/16/67/55/284166755.db2.gz UKONEQPPOIWSMM-MJBXVCDLSA-N 0 0 334.420 1.473 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@@H](C)N1CCCCC1=O)CC2 ZINC000193272462 138965278 /nfs/dbraw/zinc/96/52/78/138965278.db2.gz VPZZWFBKXIMNQT-CHWSQXEVSA-N 0 0 333.436 1.063 10 0 EDAERN CCc1nnc(CN(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C ZINC000195014713 139004672 /nfs/dbraw/zinc/00/46/72/139004672.db2.gz SIIRADKZFXONDG-UHFFFAOYSA-N 0 0 326.404 1.636 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(=O)NCCCCO)c1cccs1 ZINC000195024027 139005103 /nfs/dbraw/zinc/00/51/03/139005103.db2.gz ZXYIQRUQQHIVGV-OAHLLOKOSA-N 0 0 346.452 1.978 10 0 EDAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195051373 139005714 /nfs/dbraw/zinc/00/57/14/139005714.db2.gz FXYIKCMUDQRRFK-HNNXBMFYSA-N 0 0 327.432 1.965 10 0 EDAERN C[C@@]1(NC(=O)C2(C(N)=S)CCCCCC2)CCS(=O)(=O)C1 ZINC000044933140 213676912 /nfs/dbraw/zinc/67/69/12/213676912.db2.gz WSCWIFWIZYODHI-CYBMUJFWSA-N 0 0 332.491 1.307 10 0 EDAERN O=S(=O)(C[C@H]1CCC[NH2+]1)[N-]c1ncc(Br)s1 ZINC000049644011 214023999 /nfs/dbraw/zinc/02/39/99/214023999.db2.gz GHIGJSAQIJUHIO-ZCFIWIBFSA-N 0 0 326.241 1.399 10 0 EDAERN COc1ccccc1CNC(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195506949 139018628 /nfs/dbraw/zinc/01/86/28/139018628.db2.gz VGCCJAUCALMDIM-UHFFFAOYSA-N 0 0 328.416 1.914 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1ccc(F)c(F)c1 ZINC000195519740 139019589 /nfs/dbraw/zinc/01/95/89/139019589.db2.gz VVKJPPHBQRTWBL-UHFFFAOYSA-N 0 0 343.355 1.735 10 0 EDAERN COC(=O)[C@H]1CCCN1CC(=O)Nc1ncc(Cl)cc1Cl ZINC000050049854 214042441 /nfs/dbraw/zinc/04/24/41/214042441.db2.gz ILCOGSHLWNIYRP-SNVBAGLBSA-N 0 0 332.187 1.964 10 0 EDAERN O=C(Nc1ccc(OC(F)F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000078988258 217166392 /nfs/dbraw/zinc/16/63/92/217166392.db2.gz NCMOECOZVACJER-ZWNOBZJWSA-N 0 0 342.342 1.894 10 0 EDAERN Cc1nc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3CO)cc2o1 ZINC000078994795 217168806 /nfs/dbraw/zinc/16/88/06/217168806.db2.gz LRYPIBPQPYAATB-YPMHNXCESA-N 0 0 331.372 1.742 10 0 EDAERN COCCCCCNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000111845336 220205805 /nfs/dbraw/zinc/20/58/05/220205805.db2.gz GLHHHCYDYUMXGZ-ZDUSSCGKSA-N 0 0 339.440 1.583 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNc2ccc3nccnc3n2)ncn1 ZINC000112080234 220239007 /nfs/dbraw/zinc/23/90/07/220239007.db2.gz JOGXRPJPEPFTFG-LBPRGKRZSA-N 0 0 336.403 1.937 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)COCc2ccccc2)C[C@H]1C ZINC000245494526 139076813 /nfs/dbraw/zinc/07/68/13/139076813.db2.gz NPZFNGRMTMIZEV-IAGOWNOFSA-N 0 0 349.475 1.954 10 0 EDAERN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CCN1S(C)(=O)=O ZINC000245626107 139081361 /nfs/dbraw/zinc/08/13/61/139081361.db2.gz RMTAACQRSUVKHT-AEGPPILISA-N 0 0 328.478 1.695 10 0 EDAERN CCOCc1ccccc1CNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245918702 139089930 /nfs/dbraw/zinc/08/99/30/139089930.db2.gz LLBJCYQQCKVKDH-SFHVURJKSA-N 0 0 331.460 1.619 10 0 EDAERN COCCN1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000245930182 139090337 /nfs/dbraw/zinc/09/03/37/139090337.db2.gz IDXWXDDSPNARST-KGLIPLIRSA-N 0 0 327.469 1.695 10 0 EDAERN Cc1nc(C[C@H]2CCCN([C@H](C)c3nc(N)nc(N(C)C)n3)C2)no1 ZINC000246195312 139098580 /nfs/dbraw/zinc/09/85/80/139098580.db2.gz WXALTQHEMZFARB-ZYHUDNBSSA-N 0 0 346.439 1.227 10 0 EDAERN COc1ccccc1N1CC[C@H](N2CCC[C@@H](n3cncn3)C2)C1=O ZINC000246199263 139098975 /nfs/dbraw/zinc/09/89/75/139098975.db2.gz IYRLSLIBRFDRLE-ZBFHGGJFSA-N 0 0 341.415 1.729 10 0 EDAERN Cc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC[C@H]3CO)C2=O)cc1 ZINC000246273275 139102026 /nfs/dbraw/zinc/10/20/26/139102026.db2.gz VZBLOUNDDCIJEB-XIRDDKMYSA-N 0 0 345.443 1.951 10 0 EDAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000246606601 139114845 /nfs/dbraw/zinc/11/48/45/139114845.db2.gz PIWRWFGLFDTQOQ-HZSPNIEDSA-N 0 0 341.477 1.580 10 0 EDAERN Cc1ccc(C(=O)CCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)s1 ZINC000246737789 139119401 /nfs/dbraw/zinc/11/94/01/139119401.db2.gz MPZLTEBUWWQKKU-STQMWFEESA-N 0 0 338.473 1.933 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(C)ccc2C)C[C@@H]1C ZINC000246921966 139127050 /nfs/dbraw/zinc/12/70/50/139127050.db2.gz BIVSDLOHJICNDV-HNNXBMFYSA-N 0 0 326.462 1.645 10 0 EDAERN CC[C@H]1CN(CC(=O)Nc2ccccc2C(C)=O)CCN1C[C@H](C)O ZINC000246921760 139127156 /nfs/dbraw/zinc/12/71/56/139127156.db2.gz ANCRBBUOCUIFAB-HOCLYGCPSA-N 0 0 347.459 1.605 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@H]3CN(c4ccccc4)C(=O)O3)CCO2)[nH]1 ZINC000246979134 139129350 /nfs/dbraw/zinc/12/93/50/139129350.db2.gz MLNBLAKHVWFWGS-LSDHHAIUSA-N 0 0 343.387 1.512 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](OC)c2ccccc2)C[C@H]1C ZINC000247043666 139132857 /nfs/dbraw/zinc/13/28/57/139132857.db2.gz JDJHMJXUXNPZNV-NVXWUHKLSA-N 0 0 335.448 1.736 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000247062880 139133745 /nfs/dbraw/zinc/13/37/45/139133745.db2.gz KDZLNWPGGLOVPP-HNNXBMFYSA-N 0 0 326.462 1.645 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247154952 139137918 /nfs/dbraw/zinc/13/79/18/139137918.db2.gz QBMPLWNMMYXPST-CABCVRRESA-N 0 0 333.498 1.006 10 0 EDAERN Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@@H](n2cncn2)C1 ZINC000247179141 139139111 /nfs/dbraw/zinc/13/91/11/139139111.db2.gz NLBMVAISQIRXBZ-SJLPKXTDSA-N 0 0 341.459 1.971 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000247399191 139147438 /nfs/dbraw/zinc/14/74/38/139147438.db2.gz YFENHIOOIFPJJY-LSDHHAIUSA-N 0 0 347.459 1.869 10 0 EDAERN C[C@H](O)CCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000248336048 139160461 /nfs/dbraw/zinc/16/04/61/139160461.db2.gz GXDXUYBITMDBRZ-MJBXVCDLSA-N 0 0 341.477 1.580 10 0 EDAERN O=C(Cn1cncn1)NC[C@H]1Cc2cc(-c3cccnc3)ccc2O1 ZINC000012078945 211288575 /nfs/dbraw/zinc/28/85/75/211288575.db2.gz YXDHKOCPWAKZRD-MRXNPFEDSA-N 0 0 335.367 1.460 10 0 EDAERN C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCCCC3)c2)C1=O ZINC000012004747 211280185 /nfs/dbraw/zinc/28/01/85/211280185.db2.gz BQVNOKCFFBRMQJ-GFCCVEGCSA-N 0 0 336.413 1.625 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C12CCOCC2 ZINC000248624852 139168792 /nfs/dbraw/zinc/16/87/92/139168792.db2.gz CTVCUOJTKZLADZ-RRFJBIMHSA-N 0 0 338.448 1.335 10 0 EDAERN CCn1ncnc1[C@@H](C)NC(=O)c1cnc(-c2ccccn2)nc1O ZINC000091737747 218055850 /nfs/dbraw/zinc/05/58/50/218055850.db2.gz ZPTCSYJSRSZIFP-SNVBAGLBSA-N 0 0 339.359 1.347 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2ccc(C)cc2F)C[C@@H]1C ZINC000248662871 139170668 /nfs/dbraw/zinc/17/06/68/139170668.db2.gz HMFGKGOSFUIXFN-AWEZNQCLSA-N 0 0 344.452 1.616 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(Cc2ccccc2)n1 ZINC000091783889 218066059 /nfs/dbraw/zinc/06/60/59/218066059.db2.gz CVWCTMTYJIRLED-ZDUSSCGKSA-N 0 0 331.397 1.060 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc2n[nH]nc2c1 ZINC000010993903 211199129 /nfs/dbraw/zinc/19/91/29/211199129.db2.gz YAOINXQLPINVOB-GFCCVEGCSA-N 0 0 342.380 1.606 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1cc(Br)ccc1Cl ZINC000092228634 218127808 /nfs/dbraw/zinc/12/78/08/218127808.db2.gz SPACDFTTXHPXEZ-NSHDSACASA-N 0 0 333.613 1.789 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1ccc(C)cc1=O ZINC000248751913 139174333 /nfs/dbraw/zinc/17/43/33/139174333.db2.gz HDGNXKIOHCIFSU-KFWWJZLASA-N 0 0 332.400 1.489 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000009704707 211117639 /nfs/dbraw/zinc/11/76/39/211117639.db2.gz DAKCRTPYNWVWGL-GFCCVEGCSA-N 0 0 336.413 1.344 10 0 EDAERN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccno1 ZINC000009625739 211109755 /nfs/dbraw/zinc/10/97/55/211109755.db2.gz UKTAPSPVHPGILV-ICFOKQHNSA-N 0 0 347.352 1.614 10 0 EDAERN CCO[C@@H]1C[C@](CO)(NC(=O)N[C@H]2COc3ccccc32)C1(C)C ZINC000249125599 139186712 /nfs/dbraw/zinc/18/67/12/139186712.db2.gz QSRVCQLGEDLVCB-JCKWVBRZSA-N 0 0 334.416 1.985 10 0 EDAERN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093885135 218255215 /nfs/dbraw/zinc/25/52/15/218255215.db2.gz SKKKIUJCCPNLOL-HOCLYGCPSA-N 0 0 330.363 1.457 10 0 EDAERN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093885133 218255275 /nfs/dbraw/zinc/25/52/75/218255275.db2.gz SKKKIUJCCPNLOL-ZBFHGGJFSA-N 0 0 330.363 1.457 10 0 EDAERN CC(C)n1ncc2cc([C@@H]3NC(=O)[C@@H]4COCCN34)c(Cl)nc21 ZINC000093885338 218255442 /nfs/dbraw/zinc/25/54/42/218255442.db2.gz PFMDUFICADFQJK-SMDDNHRTSA-N 0 0 335.795 1.495 10 0 EDAERN COc1cccc(-c2nc([C@@H]3NC(=O)[C@H]4COCCN43)cs2)c1 ZINC000093885204 218255586 /nfs/dbraw/zinc/25/55/86/218255586.db2.gz JBZMCFDKIBIMSO-ZIAGYGMSSA-N 0 0 331.397 1.648 10 0 EDAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249592022 139196166 /nfs/dbraw/zinc/19/61/66/139196166.db2.gz VROWBQRJMAHCNZ-KGYLQXTDSA-N 0 0 348.476 1.350 10 0 EDAERN O=C(CN1CCO[C@H]2CCCC[C@H]21)N1CC(=O)Nc2ccccc21 ZINC000249745888 139197965 /nfs/dbraw/zinc/19/79/65/139197965.db2.gz MLOFSWRZBHAYGF-CVEARBPZSA-N 0 0 329.400 1.615 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cn(C(C)(C)C)nn1 ZINC000250744849 139201241 /nfs/dbraw/zinc/20/12/41/139201241.db2.gz QSXNWBIPVAAJRG-UBHSHLNASA-N 0 0 334.420 1.979 10 0 EDAERN NC(=O)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(OC(F)(F)F)c2)CC1 ZINC000095356534 218290013 /nfs/dbraw/zinc/29/00/13/218290013.db2.gz IMWYAARXSSTVAX-GFCCVEGCSA-N 0 0 346.305 1.908 10 0 EDAERN CCCNC(=O)CN1C(=O)N[C@@]2(CCCc3cc(OC)ccc32)C1=O ZINC000006398260 210628634 /nfs/dbraw/zinc/62/86/34/210628634.db2.gz NRIKYHVVDZLMGN-GOSISDBHSA-N 0 0 345.399 1.305 10 0 EDAERN COCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000152532881 223978812 /nfs/dbraw/zinc/97/88/12/223978812.db2.gz HVIPKDJFQHSJOH-CQSZACIVSA-N 0 0 333.392 1.873 10 0 EDAERN COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000263090735 139321862 /nfs/dbraw/zinc/32/18/62/139321862.db2.gz UIMTVJCEQPSNKS-CQSZACIVSA-N 0 0 339.436 1.900 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000171396657 533073711 /nfs/dbraw/zinc/07/37/11/533073711.db2.gz OUXADHZDNXNDGW-CHWSQXEVSA-N 0 0 327.340 1.493 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000112658334 220366738 /nfs/dbraw/zinc/36/67/38/220366738.db2.gz LSRRWWYNZPJQBK-OLZOCXBDSA-N 0 0 349.435 1.356 10 0 EDAERN CCCc1c(C(=O)N[C@H]2CCc3ncnn3C2)[nH]c(C)c1C(=O)OC ZINC000112660068 220366774 /nfs/dbraw/zinc/36/67/74/220366774.db2.gz YYGGLJXVOAHZHB-NSHDSACASA-N 0 0 345.403 1.399 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)nn1 ZINC000112810623 220403525 /nfs/dbraw/zinc/40/35/25/220403525.db2.gz VGHPXWPGXQVMDU-SECBINFHSA-N 0 0 332.813 1.273 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccccc1OC(F)F ZINC000113298658 220516970 /nfs/dbraw/zinc/51/69/70/220516970.db2.gz GPRQDILHBXVFIO-SECBINFHSA-N 0 0 344.343 1.173 10 0 EDAERN C[C@@H](NC(=O)N1CCN(CC(F)(F)C(F)F)CC1)[C@@H]1CCCO1 ZINC000114588880 220712916 /nfs/dbraw/zinc/71/29/16/220712916.db2.gz IDQMRNZQYJZOQG-MNOVXSKESA-N 0 0 341.349 1.782 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)/C=C/c1cnc3ccccc3n1)CC2 ZINC000114862383 220769234 /nfs/dbraw/zinc/76/92/34/220769234.db2.gz JITBACFCGZNGQO-QSYFUGGGSA-N 0 0 348.410 1.928 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)CC2 ZINC000114866556 220770166 /nfs/dbraw/zinc/77/01/66/220770166.db2.gz FUTJWOHXJMIKMS-AWEZNQCLSA-N 0 0 341.415 1.287 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1)CC2 ZINC000114969010 220795756 /nfs/dbraw/zinc/79/57/56/220795756.db2.gz XOXRQYGDRSWEMS-ZIAGYGMSSA-N 0 0 343.431 1.922 10 0 EDAERN O=c1[n-]c(-c2nc[nH]n2)nc(C2CC2)c1I ZINC000117207854 221036004 /nfs/dbraw/zinc/03/60/04/221036004.db2.gz BWUAASULZNIGPG-UHFFFAOYSA-N 0 0 329.101 1.037 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1CCOC ZINC000117371545 221058525 /nfs/dbraw/zinc/05/85/25/221058525.db2.gz BKHBFGKFDGWYFO-INIZCTEOSA-N 0 0 344.452 1.698 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C[C@@H]1C ZINC000117281553 221041651 /nfs/dbraw/zinc/04/16/51/221041651.db2.gz YPRGYNZMMZIKFW-UONOGXRCSA-N 0 0 327.469 1.106 10 0 EDAERN CCOCCN1CCN(C(=O)CSCc2cccnc2)C[C@H]1C ZINC000117275831 221042155 /nfs/dbraw/zinc/04/21/55/221042155.db2.gz HHHOQJMHUCVOKJ-OAHLLOKOSA-N 0 0 337.489 1.884 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(F)cc3nccnc32)C[C@H]1C ZINC000117276061 221042465 /nfs/dbraw/zinc/04/24/65/221042465.db2.gz TYXJSFFXCUDVHW-CYBMUJFWSA-N 0 0 346.406 1.952 10 0 EDAERN CCOCCN1CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]1C ZINC000117283561 221043237 /nfs/dbraw/zinc/04/32/37/221043237.db2.gz TZZZOEHXJDRPNC-AWEZNQCLSA-N 0 0 327.469 1.108 10 0 EDAERN COCCN1CCN(C(=O)c2cc(-c3ccncc3)on2)C[C@H]1C ZINC000117296354 221047729 /nfs/dbraw/zinc/04/77/29/221047729.db2.gz JNYOSAKBUUYMSQ-CYBMUJFWSA-N 0 0 330.388 1.529 10 0 EDAERN CC[C@@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)CCN1CCOC ZINC000117300554 221048725 /nfs/dbraw/zinc/04/87/25/221048725.db2.gz XTZFXAVUCGCOJR-OAHLLOKOSA-N 0 0 348.509 1.017 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2c(F)cccc2F)C[C@@H]1C ZINC000117522985 221074730 /nfs/dbraw/zinc/07/47/30/221074730.db2.gz TVLJQBMAXLAAHS-NSHDSACASA-N 0 0 341.358 1.082 10 0 EDAERN CC(C)CCNC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000117468690 221067279 /nfs/dbraw/zinc/06/72/79/221067279.db2.gz VSSYJNWLNXAILK-QGZVFWFLSA-N 0 0 349.475 1.800 10 0 EDAERN COCCN1CCN(C(=O)NCc2cccc(COC)c2)C[C@@H]1C ZINC000117477368 221067940 /nfs/dbraw/zinc/06/79/40/221067940.db2.gz PPNYXKUFJKWGRO-HNNXBMFYSA-N 0 0 335.448 1.695 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(COC)cc2)C[C@@H]1C ZINC000117477280 221068334 /nfs/dbraw/zinc/06/83/34/221068334.db2.gz ZAMASAGVNROVPT-HNNXBMFYSA-N 0 0 335.448 1.695 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 ZINC000118015060 221106758 /nfs/dbraw/zinc/10/67/58/221106758.db2.gz OEUYKFQZGUMNJP-UHFFFAOYSA-N 0 0 329.282 1.720 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)c1 ZINC000117800720 221091267 /nfs/dbraw/zinc/09/12/67/221091267.db2.gz RMVIOQHFOGIFRA-HOCLYGCPSA-N 0 0 330.388 1.281 10 0 EDAERN Cc1cnn(CCNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000117812137 221091735 /nfs/dbraw/zinc/09/17/35/221091735.db2.gz VQICEZNOWSWKMW-OAHLLOKOSA-N 0 0 326.400 1.899 10 0 EDAERN Cc1cnn(CCNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000117817656 221092785 /nfs/dbraw/zinc/09/27/85/221092785.db2.gz VRLFNNPCQPITHJ-INIZCTEOSA-N 0 0 342.399 1.739 10 0 EDAERN COC(=O)[C@H](c1ccccc1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000117880596 221095713 /nfs/dbraw/zinc/09/57/13/221095713.db2.gz PKZICYVITXLEFN-IRXDYDNUSA-N 0 0 329.400 1.807 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1nc(C(N)=O)cs1)C(C)C ZINC000118705420 221172098 /nfs/dbraw/zinc/17/20/98/221172098.db2.gz MQPRCHMLYCRANH-LLVKDONJSA-N 0 0 326.422 1.367 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)Nc1nc(C(N)=O)cs1)C(C)C ZINC000118705418 221172340 /nfs/dbraw/zinc/17/23/40/221172340.db2.gz MQPRCHMLYCRANH-NSHDSACASA-N 0 0 326.422 1.367 10 0 EDAERN Cc1nc(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000119047458 221230952 /nfs/dbraw/zinc/23/09/52/221230952.db2.gz LJAOTSYQDAKNCT-CHWSQXEVSA-N 0 0 334.420 1.868 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCC(C)(C)C[C@H](C)O)CCO2)[nH]1 ZINC000119139707 221251489 /nfs/dbraw/zinc/25/14/89/221251489.db2.gz MBKHIWOUKZSXDF-NWDGAFQWSA-N 0 0 339.440 1.247 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)OC)C2)cc1F ZINC000119222957 221270717 /nfs/dbraw/zinc/27/07/17/221270717.db2.gz YRXSFVPIYKFIIA-GFCCVEGCSA-N 0 0 336.363 1.738 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)nc1C ZINC000119339013 221298094 /nfs/dbraw/zinc/29/80/94/221298094.db2.gz JJKQNFWJZYNHGY-CQSZACIVSA-N 0 0 325.434 1.841 10 0 EDAERN O=C(NCCOc1ccc(Cl)cn1)NC[C@@H]1CCCC[C@@H]1O ZINC000119751796 221392803 /nfs/dbraw/zinc/39/28/03/221392803.db2.gz LFCHKSBILDBPKP-AAEUAGOBSA-N 0 0 327.812 1.964 10 0 EDAERN COC(=O)[C@@H](SC[C@H](O)CO)c1cccc(Br)c1 ZINC000155251214 224384541 /nfs/dbraw/zinc/38/45/41/224384541.db2.gz DVSBNFVQGQFKKB-MNOVXSKESA-N 0 0 335.219 1.750 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)ccc1OC ZINC000155305790 224393746 /nfs/dbraw/zinc/39/37/46/224393746.db2.gz SUQPZWNNALDUAE-GFCCVEGCSA-N 0 0 334.351 1.837 10 0 EDAERN Cc1cc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3cnoc3C)C2)no1 ZINC000251987353 257660276 /nfs/dbraw/zinc/66/02/76/257660276.db2.gz HXZYFAOUHSYUIM-SUMWQHHRSA-N 0 0 346.387 1.158 10 0 EDAERN COCCOc1cccc(CNC(=O)CN2CCS[C@@H](C)C2)c1 ZINC000171689606 533267247 /nfs/dbraw/zinc/26/72/47/533267247.db2.gz XHUOAIMFVAJCHY-AWEZNQCLSA-N 0 0 338.473 1.765 10 0 EDAERN C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000171615204 533263772 /nfs/dbraw/zinc/26/37/72/533263772.db2.gz QAFNZIMXAHZQRT-YOEHRIQHSA-N 0 0 345.422 1.802 10 0 EDAERN COCc1noc([C@@H](C)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000181848403 533297780 /nfs/dbraw/zinc/29/77/80/533297780.db2.gz IXWMNTLBRNEGTR-CYBMUJFWSA-N 0 0 334.424 1.218 10 0 EDAERN CS(=O)(=O)CCC[S@](=O)c1ccc(Br)cc1N ZINC000165716781 533355977 /nfs/dbraw/zinc/35/59/77/533355977.db2.gz HZVKVPITFQQICY-MRXNPFEDSA-N 0 0 340.264 1.574 10 0 EDAERN CS(=O)(=O)CCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174664561 533358144 /nfs/dbraw/zinc/35/81/44/533358144.db2.gz RTKZPGURFLOLHU-HUUCEWRRSA-N 0 0 340.445 1.329 10 0 EDAERN CS(=O)(=O)N1CCC[C@H](Cn2cnc(Cl)c(Cl)c2=O)C1 ZINC000164832785 533389542 /nfs/dbraw/zinc/38/95/42/533389542.db2.gz AWTGGWJRSWKMMJ-MRVPVSSYSA-N 0 0 340.232 1.222 10 0 EDAERN COC(=O)[C@H](c1ccccc1F)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000173337322 533371255 /nfs/dbraw/zinc/37/12/55/533371255.db2.gz QDVIGFZXSOGCJI-YOEHRIQHSA-N 0 0 347.390 1.946 10 0 EDAERN COC(=O)[C@](N)(CCSCCS(C)(=O)=O)c1ccccc1 ZINC000168235215 533575424 /nfs/dbraw/zinc/57/54/24/533575424.db2.gz LKOHJZZLHAWXNC-AWEZNQCLSA-N 0 0 331.459 1.182 10 0 EDAERN Cc1cc(CNC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)on1 ZINC000172129817 533658064 /nfs/dbraw/zinc/65/80/64/533658064.db2.gz FUZWJDIMLWZSCF-AWEZNQCLSA-N 0 0 332.408 1.813 10 0 EDAERN CS(=O)(=O)N1CCN(c2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788594 132805531 /nfs/dbraw/zinc/80/55/31/132805531.db2.gz UIZOAUWQVHYCGK-UHFFFAOYSA-N 0 0 333.866 1.056 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@@H](O)c4ccccc43)cc2o1 ZINC000062552750 132805863 /nfs/dbraw/zinc/80/58/63/132805863.db2.gz MBWUNKCYAIPQRN-CQSZACIVSA-N 0 0 346.364 1.754 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cccc3c2OCC(=O)N3)n1 ZINC000328975798 140688002 /nfs/dbraw/zinc/68/80/02/140688002.db2.gz CUTYMTCPXQIVON-LBPRGKRZSA-N 0 0 344.327 1.572 10 0 EDAERN CN(C)c1noc([C@@H]2CCCN(C(=O)C[C@H]3CCCCNC3=O)C2)n1 ZINC000329340235 140709999 /nfs/dbraw/zinc/70/99/99/140709999.db2.gz ODQRFBDDFZSETC-CHWSQXEVSA-N 0 0 349.435 1.988 10 0 EDAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)N(C(C)=O)C1 ZINC000329897257 140778607 /nfs/dbraw/zinc/77/86/07/140778607.db2.gz LGFPWARZXJGNFJ-MELADBBJSA-N 0 0 337.445 1.485 10 0 EDAERN O=C(c1ncoc1[C@H]1CCCO1)N1CCO[C@H](COCC2CC2)C1 ZINC000330136344 140805348 /nfs/dbraw/zinc/80/53/48/140805348.db2.gz NGOQRAPSMYBHPS-UONOGXRCSA-N 0 0 336.388 1.794 10 0 EDAERN Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000333131156 141269058 /nfs/dbraw/zinc/26/90/58/141269058.db2.gz IOKAWQNKXBBKAD-XHSDSOJGSA-N 0 0 332.448 1.968 10 0 EDAERN NC(=O)C1(NS(=O)(=O)[C@@H]2CCCOC2)C2CC3CC(C2)CC1C3 ZINC000333139782 141270544 /nfs/dbraw/zinc/27/05/44/141270544.db2.gz CVEPMKIIZVYOSM-GMDIISMXSA-N 0 0 342.461 1.815 10 0 EDAERN C[C@@H]1CN(C(=O)NCCC2CCOCC2)C[C@H]1N1CCOCC1 ZINC000333304110 141295944 /nfs/dbraw/zinc/29/59/44/141295944.db2.gz UCNHODZNEWZMND-GDBMZVCRSA-N 0 0 325.453 1.165 10 0 EDAERN C[C@H]1CS(=O)(=O)CCN1C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000333445331 141318111 /nfs/dbraw/zinc/31/81/11/141318111.db2.gz XHEGZMVDJVUCQZ-JTQLQIEISA-N 0 0 335.385 1.591 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)C[C@]12CCCO2 ZINC000333630292 141347599 /nfs/dbraw/zinc/34/75/99/141347599.db2.gz BEMONLLYAINPIN-XLMAVXFVSA-N 0 0 339.480 1.695 10 0 EDAERN O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCC[C@@](F)(CO)C1 ZINC000333737443 141369719 /nfs/dbraw/zinc/36/97/19/141369719.db2.gz XNMXQENLUMUUOI-KRWDZBQOSA-N 0 0 326.412 1.348 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCCC2(O)CCOCC2)C[C@@]12CCCO2 ZINC000334084932 141445210 /nfs/dbraw/zinc/44/52/10/141445210.db2.gz LLYRXKRATJJCRP-YOEHRIQHSA-N 0 0 326.437 1.517 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](CC)CCO)C12CCOCC2 ZINC000248589353 286360854 /nfs/dbraw/zinc/36/08/54/286360854.db2.gz XPJCZWDGYKZEMC-SOUVJXGZSA-N 0 0 328.453 1.668 10 0 EDAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2)C12CCOCC2 ZINC000185154878 286393276 /nfs/dbraw/zinc/39/32/76/286393276.db2.gz CIGJBDKIJZGVOL-UONOGXRCSA-N 0 0 326.418 1.334 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCN3C(=O)NC[C@@H]3C1)[C@H](C)C2 ZINC000181919544 292360080 /nfs/dbraw/zinc/36/00/80/292360080.db2.gz BKNAWEDGDXBXJC-XNRPHZJLSA-N 0 0 328.416 1.647 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1nc(C(C)(C)C)no1 ZINC000175125000 533677583 /nfs/dbraw/zinc/67/75/83/533677583.db2.gz AJWRHADSZSGHGU-VHSXEESVSA-N 0 0 333.396 1.334 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000055625192 287229285 /nfs/dbraw/zinc/22/92/85/287229285.db2.gz ZFTCXFXILJBHPK-NSHDSACASA-N 0 0 347.346 1.083 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000055625193 287229298 /nfs/dbraw/zinc/22/92/98/287229298.db2.gz ZFTCXFXILJBHPK-LLVKDONJSA-N 0 0 347.346 1.083 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1-n1cccn1 ZINC000158567910 225044275 /nfs/dbraw/zinc/04/42/75/225044275.db2.gz JYDXVRLMXPBMCQ-BBRMVZONSA-N 0 0 342.399 1.478 10 0 EDAERN CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1S(N)(=O)=O ZINC000158393969 225005409 /nfs/dbraw/zinc/00/54/09/225005409.db2.gz BINFJJIDPTULRI-QMMMGPOBSA-N 0 0 330.797 1.739 10 0 EDAERN CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1S(N)(=O)=O ZINC000158393816 225005641 /nfs/dbraw/zinc/00/56/41/225005641.db2.gz BINFJJIDPTULRI-MRVPVSSYSA-N 0 0 330.797 1.739 10 0 EDAERN C[C@H](C(=O)c1ccc(Cl)cc1Cl)N1CCOC[C@@H]1C(N)=O ZINC000158991251 225123604 /nfs/dbraw/zinc/12/36/04/225123604.db2.gz YGYIMHOFYLUJBD-PRHODGIISA-N 0 0 331.199 1.751 10 0 EDAERN COC(C)(C)CNS(=O)(=O)c1ccc(Br)c(N)c1 ZINC000159894429 225296581 /nfs/dbraw/zinc/29/65/81/225296581.db2.gz MPZYRDPKUTUABA-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN Cc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c(Br)c1 ZINC000163777531 226015611 /nfs/dbraw/zinc/01/56/11/226015611.db2.gz NBEZFMQXVXGIJK-NSHDSACASA-N 0 0 327.222 1.818 10 0 EDAERN [NH3+]C[C@@H]1CCCC[C@H]1Nc1nc[n-]c(=O)c1I ZINC000164390436 226069029 /nfs/dbraw/zinc/06/90/29/226069029.db2.gz NRJQAFYHFRDHFY-JGVFFNPUSA-N 0 0 348.188 1.304 10 0 EDAERN C[C@H]1C[C@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165101046 226110384 /nfs/dbraw/zinc/11/03/84/226110384.db2.gz NSKVKRHEQMTTSM-YUMQZZPRSA-N 0 0 334.800 1.855 10 0 EDAERN Nc1cc(Cl)cc(-c2nnnn2[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000165612949 226129539 /nfs/dbraw/zinc/12/95/39/226129539.db2.gz HDPCVVMLIKFOPB-LLVKDONJSA-N 0 0 327.797 1.325 10 0 EDAERN CCS(=O)(=O)C[C@@H](C)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000165632742 226132715 /nfs/dbraw/zinc/13/27/15/226132715.db2.gz OSDPHWZHACXWTN-LLVKDONJSA-N 0 0 334.463 1.602 10 0 EDAERN Cc1cc(Br)ccc1-n1ncc(S(C)(=O)=O)c1N ZINC000165873700 226140049 /nfs/dbraw/zinc/14/00/49/226140049.db2.gz WFSCIDOOEPOIPZ-UHFFFAOYSA-N 0 0 330.207 1.929 10 0 EDAERN Cc1cc(N2CCOC[C@H]2C(=O)NC(C)C)ncc1Br ZINC000166328996 226154764 /nfs/dbraw/zinc/15/47/64/226154764.db2.gz MDVPGXOPCLBELQ-LBPRGKRZSA-N 0 0 342.237 1.882 10 0 EDAERN NN[C@H](Cc1ccc(I)cc1)c1cnccn1 ZINC000167548038 226193811 /nfs/dbraw/zinc/19/38/11/226193811.db2.gz RPYXDQXIXRNYOF-LLVKDONJSA-N 0 0 340.168 1.828 10 0 EDAERN O=C(CSc1cccs1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000168045341 226205789 /nfs/dbraw/zinc/20/57/89/226205789.db2.gz GVSNWGWDQBUGBV-CYBMUJFWSA-N 0 0 325.415 1.041 10 0 EDAERN O=C1CC[C@@H](NCc2ccc(Br)cc2Cl)C(=O)N1 ZINC000168098642 226208029 /nfs/dbraw/zinc/20/80/29/226208029.db2.gz WZNFATWJLUOFSX-SNVBAGLBSA-N 0 0 331.597 1.997 10 0 EDAERN NC(=S)[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000168467683 226215704 /nfs/dbraw/zinc/21/57/04/226215704.db2.gz MBCHZIUDQQSCNF-RYUDHWBXSA-N 0 0 326.443 1.097 10 0 EDAERN COc1cc(Br)cc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000169096458 226231561 /nfs/dbraw/zinc/23/15/61/226231561.db2.gz OWGQRSRPURIVMC-QWRGUYRKSA-N 0 0 336.207 1.028 10 0 EDAERN Cc1cc(Br)c(N2C(=O)C(C)(C)S2(=O)=O)cc1N ZINC000169240230 226234843 /nfs/dbraw/zinc/23/48/43/226234843.db2.gz DBTGBWJJIZQEMR-UHFFFAOYSA-N 0 0 333.207 1.795 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC(CO)CC2)C1 ZINC000124956456 287401882 /nfs/dbraw/zinc/40/18/82/287401882.db2.gz PAJZLVJWJYBQIS-UONOGXRCSA-N 0 0 326.437 1.911 10 0 EDAERN C[NH+](C)CCCN1C[C@H](C(=O)Nc2ccccc2C(=O)[O-])CC1=O ZINC000170574513 226630297 /nfs/dbraw/zinc/63/02/97/226630297.db2.gz IRAMPPGCZFPPSS-GFCCVEGCSA-N 0 0 333.388 1.124 10 0 EDAERN COc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1O ZINC000120481800 221590770 /nfs/dbraw/zinc/59/07/70/221590770.db2.gz YWTFTTOBBRNEDW-UHFFFAOYSA-N 0 0 340.387 1.161 10 0 EDAERN CC(C)[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 ZINC000122261123 222047408 /nfs/dbraw/zinc/04/74/08/222047408.db2.gz AUMHNNOSYWHWBT-DCAQKATOSA-N 0 0 349.395 1.419 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc(C(C)C)on3)CC2)no1 ZINC000123047803 222206917 /nfs/dbraw/zinc/20/69/17/222206917.db2.gz BUKYIDOLSYMUAZ-UHFFFAOYSA-N 0 0 333.392 1.838 10 0 EDAERN Cc1cc(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)ccc1C(N)=O ZINC000123141088 222222291 /nfs/dbraw/zinc/22/22/91/222222291.db2.gz ACNWVIFAZWUEOP-NSHDSACASA-N 0 0 342.403 1.904 10 0 EDAERN Cc1cnn(Cc2cc(C(=O)N3CCN4CCCC[C@H]4C3)no2)c1 ZINC000123775083 222329697 /nfs/dbraw/zinc/32/96/97/222329697.db2.gz RVOCSPZINIKCMP-AWEZNQCLSA-N 0 0 329.404 1.538 10 0 EDAERN O=S(=O)(CCCN1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000171620111 227178874 /nfs/dbraw/zinc/17/88/74/227178874.db2.gz RSLNDQJFCMJNAQ-OAHLLOKOSA-N 0 0 334.445 1.779 10 0 EDAERN Cc1cccc(OCCNC(=O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171703938 227233266 /nfs/dbraw/zinc/23/32/66/227233266.db2.gz PZMIBCWCAIKNGS-MRXNPFEDSA-N 0 0 343.431 1.419 10 0 EDAERN Cc1csc2nc(CN3CCC[C@H](n4cncn4)C3)cc(=O)n12 ZINC000171704611 227233492 /nfs/dbraw/zinc/23/34/92/227233492.db2.gz UJCHJHKVFQWLSM-ZDUSSCGKSA-N 0 0 330.417 1.493 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cncc(O)c3)CC2)n1 ZINC000171845549 227313455 /nfs/dbraw/zinc/31/34/55/227313455.db2.gz LTBUNKXAFXOJNC-NSHDSACASA-N 0 0 331.376 1.252 10 0 EDAERN COCc1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)ccc1F ZINC000171870959 227327157 /nfs/dbraw/zinc/32/71/57/227327157.db2.gz XZYZWDTTXUXGPU-CYBMUJFWSA-N 0 0 333.367 1.378 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccn([C@H](C)COC)n2)CC1 ZINC000189939814 272971017 /nfs/dbraw/zinc/97/10/17/272971017.db2.gz CWTRMHZYYIEHTG-KGLIPLIRSA-N 0 0 339.440 1.011 10 0 EDAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(N)c1Br ZINC000158936923 533686211 /nfs/dbraw/zinc/68/62/11/533686211.db2.gz CGUXHAOTQRJIAL-DTWKUNHWSA-N 0 0 340.221 1.757 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CO)Cc1ccccc1C ZINC000190242888 267790747 /nfs/dbraw/zinc/79/07/47/267790747.db2.gz CNYRRBMNPIAKSZ-JKSUJKDBSA-N 0 0 343.431 1.633 10 0 EDAERN CC(C)n1ccnc1CS(=O)(=O)CCNC(=O)C1CCCC1 ZINC000131170531 272926215 /nfs/dbraw/zinc/92/62/15/272926215.db2.gz NKBNNYMIWKVXTC-UHFFFAOYSA-N 0 0 327.450 1.685 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)CSc2nncs2)C1 ZINC000157067647 287679200 /nfs/dbraw/zinc/67/92/00/287679200.db2.gz WYZRBFHOEVEXBE-SNVBAGLBSA-N 0 0 328.463 1.538 10 0 EDAERN C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@H](N2CCOCC2)C1 ZINC000173945789 274280273 /nfs/dbraw/zinc/28/02/73/274280273.db2.gz DGNHUSSAZLTRQA-ZFWWWQNUSA-N 0 0 329.404 1.599 10 0 EDAERN C[C@@H]1CN(C(=O)/C=C\c2ccnc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000255549057 287843523 /nfs/dbraw/zinc/84/35/23/287843523.db2.gz IWOROTYAQWUEDS-KXAWDHGWSA-N 0 0 335.835 1.927 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@@H]1CC ZINC000172299864 276319852 /nfs/dbraw/zinc/31/98/52/276319852.db2.gz PGNPBTRBDIVGIZ-WMZOPIPTSA-N 0 0 332.444 1.949 10 0 EDAERN COC(=O)C1=C(Br)S[C@@H](N)N1C(=O)OC(C)(C)C ZINC000071791422 277050839 /nfs/dbraw/zinc/05/08/39/277050839.db2.gz GNRJUUIUSOEGJT-QMMMGPOBSA-N 0 0 339.211 1.950 10 0 EDAERN CN1Cc2ccc(NC(=O)C(=O)N[C@H]3COc4ccccc43)cc2C1 ZINC000195271920 277208457 /nfs/dbraw/zinc/20/84/57/277208457.db2.gz WYAWZCLYHSSGNQ-INIZCTEOSA-N 0 0 337.379 1.820 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)OC[C@H]2CCCCO2)C[C@H]1C ZINC000247116179 277224554 /nfs/dbraw/zinc/22/45/54/277224554.db2.gz NPDGUJTWZVGEGZ-OWCLPIDISA-N 0 0 328.453 1.140 10 0 EDAERN CNC(=O)c1cc2c(n1C)CN(c1nc(C)nc3oc(C)nc31)CC2 ZINC000092019674 277255907 /nfs/dbraw/zinc/25/59/07/277255907.db2.gz VNBFKFRFNQMFHX-UHFFFAOYSA-N 0 0 340.387 1.495 10 0 EDAERN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000121661934 278036624 /nfs/dbraw/zinc/03/66/24/278036624.db2.gz ZPULOQCIBZCUTE-NVXWUHKLSA-N 0 0 347.390 1.036 10 0 EDAERN CC(C)[C@H]1N(S(=O)(=O)N2CCOC(C)(C)C2)C[C@]12CCCO2 ZINC000328856400 280476413 /nfs/dbraw/zinc/47/64/13/280476413.db2.gz UFYZZWKBGZWORZ-UKRRQHHQSA-N 0 0 332.466 1.231 10 0 EDAERN C[C@H]([C@H](C)NC(=O)N[C@@H]1CCOc2ccccc21)N1CCOCC1 ZINC000171582706 290204757 /nfs/dbraw/zinc/20/47/57/290204757.db2.gz BJSXVLOAZGZULZ-SQWLQELKSA-N 0 0 333.432 1.919 10 0 EDAERN CN1C[C@H](NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CCC1=O ZINC000246660217 290307689 /nfs/dbraw/zinc/30/76/89/290307689.db2.gz KKVPPHVCTSPNLO-VKJFTORMSA-N 0 0 343.427 1.333 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cn(-c2ccc(C)cc2)nn1 ZINC000177716034 293524739 /nfs/dbraw/zinc/52/47/39/293524739.db2.gz RQMJZEBJIPOQIR-CQSZACIVSA-N 0 0 337.387 1.741 10 0 EDAERN O=C(CNC(=O)OCC(F)(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119588279 295517137 /nfs/dbraw/zinc/51/71/37/295517137.db2.gz RAQZMTQCPFUFIN-ZWNOBZJWSA-N 0 0 338.326 1.429 10 0 EDAERN Cc1ccc(Br)cc1S(=O)(=O)NC1CC(CO)C1 ZINC000660146185 453078679 /nfs/dbraw/zinc/07/86/79/453078679.db2.gz BVCVAEHTYXXDLB-UHFFFAOYSA-N 0 0 334.235 1.807 10 0 EDAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000179686546 303308828 /nfs/dbraw/zinc/30/88/28/303308828.db2.gz NNDGNWIMHGAFMP-HNNXBMFYSA-N 0 0 346.408 1.228 10 0 EDAERN CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ccnc(C(N)=O)c2)C1 ZINC000547681447 306107647 /nfs/dbraw/zinc/10/76/47/306107647.db2.gz YKEPMBODTXKPCK-MRXNPFEDSA-N 0 0 345.428 1.187 10 0 EDAERN CC(C)(C)C(=O)Cn1c2ccccc2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000002467838 440863520 /nfs/dbraw/zinc/86/35/20/440863520.db2.gz FPZSFYQYFZWPFY-ZDUSSCGKSA-N 0 0 344.411 1.957 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCCn1ccnc1)C(C)C ZINC000043946027 440811656 /nfs/dbraw/zinc/81/16/56/440811656.db2.gz AMLCWQGBKPMPHK-INIZCTEOSA-N 0 0 344.415 1.463 10 0 EDAERN CCS[C@@H]1O[C@@H]2CO[C@H](c3ccc(OC)cc3)O[C@@H]2[C@H](O)[C@H]1O ZINC000044168587 440823275 /nfs/dbraw/zinc/82/32/75/440823275.db2.gz MBJNBNGPOLEMKC-ODICJLLRSA-N 0 0 342.413 1.309 10 0 in-vitro EDAERN CC(C)[C@@H](C)NC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000045038926 440941301 /nfs/dbraw/zinc/94/13/01/440941301.db2.gz KYKGPIWRQADSCL-JKSUJKDBSA-N 0 0 338.496 1.759 10 0 EDAERN C[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)c1cccs1 ZINC000045978161 441066542 /nfs/dbraw/zinc/06/65/42/441066542.db2.gz OCLXAEHTZMNNRQ-NSHDSACASA-N 0 0 339.442 1.689 10 0 EDAERN CC(C)C(=O)N1CCCN([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097945157 441147087 /nfs/dbraw/zinc/14/70/87/441147087.db2.gz FJZFWXYBDJYVFT-SFHVURJKSA-N 0 0 343.471 1.978 10 0 EDAERN C[C@@H](CNC(=O)NCCCCNc1ccccn1)N1CCOCC1 ZINC000105124583 441236050 /nfs/dbraw/zinc/23/60/50/441236050.db2.gz ZCCBXEBNHRAOSJ-HNNXBMFYSA-N 0 0 335.452 1.294 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(C)c1C ZINC000017326271 441241002 /nfs/dbraw/zinc/24/10/02/441241002.db2.gz NKXHKVKPHMTTDS-VXGBXAGGSA-N 0 0 340.445 1.461 10 0 EDAERN COc1ccc(S(=O)(=O)NCC(=O)N(C)c2ccccc2)cc1 ZINC000015349588 441200769 /nfs/dbraw/zinc/20/07/69/441200769.db2.gz UODVXLLYHLYEDV-UHFFFAOYSA-N 0 0 334.397 1.637 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2cccc(OCC(F)F)c2)C1 ZINC000104795482 441210471 /nfs/dbraw/zinc/21/04/71/441210471.db2.gz GQFBRAXCXPQNKW-CQSZACIVSA-N 0 0 343.374 1.460 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)c3ccccc3F)CC2)n1 ZINC000105864576 441295387 /nfs/dbraw/zinc/29/53/87/441295387.db2.gz CYXOOQUNWAUARY-LRDDRELGSA-N 0 0 334.395 1.929 10 0 EDAERN Cc1cc(NC(=O)CN2CCCN(c3ccc(C)nn3)CC2)no1 ZINC000105800694 441273045 /nfs/dbraw/zinc/27/30/45/441273045.db2.gz CPMRPXIWLUXEKC-UHFFFAOYSA-N 0 0 330.392 1.232 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2F)C[C@@H]1C ZINC000105833024 441285219 /nfs/dbraw/zinc/28/52/19/441285219.db2.gz SOOKBCKYUWBVIY-STQMWFEESA-N 0 0 341.402 1.944 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)on2)C1 ZINC000105852372 441292315 /nfs/dbraw/zinc/29/23/15/441292315.db2.gz XULLWRJDAZGAMR-GFCCVEGCSA-N 0 0 331.376 1.544 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CCNC(=O)c3ccco3)C2)c1 ZINC000105857887 441292877 /nfs/dbraw/zinc/29/28/77/441292877.db2.gz XWKAMMDLDDSJJO-AWEZNQCLSA-N 0 0 330.388 1.768 10 0 EDAERN C[C@@H](CC(=O)N1CCC[C@H](n2cncn2)C1)NC(=O)C1CCCCC1 ZINC000105855714 441292918 /nfs/dbraw/zinc/29/29/18/441292918.db2.gz GRJKWDCYKWJULW-HOCLYGCPSA-N 0 0 347.463 1.917 10 0 EDAERN CCCNC(=O)[C@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000106153843 441328372 /nfs/dbraw/zinc/32/83/72/441328372.db2.gz VBGXSNDQLMZOAF-AWEZNQCLSA-N 0 0 335.452 1.220 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)Nc1cccc(I)c1 ZINC000025257699 441336584 /nfs/dbraw/zinc/33/65/84/441336584.db2.gz ZLCKBGJKQQIYCZ-ZCFIWIBFSA-N 0 0 333.129 1.287 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3)c2C)CC1 ZINC000106396505 441337937 /nfs/dbraw/zinc/33/79/37/441337937.db2.gz QOZXUVDCJIAYOV-QGZVFWFLSA-N 0 0 342.443 1.709 10 0 EDAERN CCOC(=O)c1ccc2[nH]c(NCCCN3CCOCC3)nc2c1 ZINC000082741658 441339313 /nfs/dbraw/zinc/33/93/13/441339313.db2.gz WVMIWONEEIYVBC-UHFFFAOYSA-N 0 0 332.404 1.874 10 0 EDAERN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)C(=O)NCc1ccco1 ZINC000106434663 441342753 /nfs/dbraw/zinc/34/27/53/441342753.db2.gz XQSBFLYMSLFHBT-RHSMWYFYSA-N 0 0 343.427 1.573 10 0 EDAERN COC(=O)c1coc(CN2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000105867235 441297650 /nfs/dbraw/zinc/29/76/50/441297650.db2.gz HTXOBPUNUPNESR-UHFFFAOYSA-N 0 0 334.376 1.466 10 0 EDAERN O=C(Cc1cccc(O)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105868268 441298777 /nfs/dbraw/zinc/29/87/77/441298777.db2.gz MBFYJZBIBYZVPH-IBGZPJMESA-N 0 0 340.423 1.813 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN([C@@H](CC)C(N)=O)CC1 ZINC000105870435 441300254 /nfs/dbraw/zinc/30/02/54/441300254.db2.gz XUWQOBASIZGDOV-ZDUSSCGKSA-N 0 0 327.860 1.017 10 0 EDAERN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925080 441317840 /nfs/dbraw/zinc/31/78/40/441317840.db2.gz OXKCHXRLOGSOLU-SWLSCSKDSA-N 0 0 325.840 1.929 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000083741226 441374149 /nfs/dbraw/zinc/37/41/49/441374149.db2.gz OJUGNGMMWUSIMR-LSDHHAIUSA-N 0 0 329.404 1.497 10 0 EDAERN CNc1nccc(N2CCC(CC(=O)NCc3ccncc3)CC2)n1 ZINC000065282137 441414208 /nfs/dbraw/zinc/41/42/08/441414208.db2.gz XIBSOMSWCRIYHV-UHFFFAOYSA-N 0 0 340.431 1.836 10 0 EDAERN CSc1nc(C)c(CCC(=O)N[C@H](C)[C@@H]2CCCO2)c(=O)[nH]1 ZINC000027886427 441417100 /nfs/dbraw/zinc/41/71/00/441417100.db2.gz WIWCHTRXMTUNBX-PWSUYJOCSA-N 0 0 325.434 1.829 10 0 EDAERN COc1cccc(C2(C(=O)NC[C@H]3CN(C)CCO3)CCCC2)c1 ZINC000108790551 441475768 /nfs/dbraw/zinc/47/57/68/441475768.db2.gz CTHDMSXCHIMTED-KRWDZBQOSA-N 0 0 332.444 1.954 10 0 EDAERN Cc1ccc(N2C[C@H](C(=O)NC[C@@H](C)N3CCOCC3)CC2=O)cc1 ZINC000029957127 441479420 /nfs/dbraw/zinc/47/94/20/441479420.db2.gz YYIHIWJQESCLNE-HZPDHXFCSA-N 0 0 345.443 1.185 10 0 EDAERN CC(C)(O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109125145 441488925 /nfs/dbraw/zinc/48/89/25/441488925.db2.gz TWOZREYWOFEXKS-UONOGXRCSA-N 0 0 338.398 1.983 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](CO)c1ccccc1 ZINC000088755969 441519008 /nfs/dbraw/zinc/51/90/08/441519008.db2.gz GVFASLHLOYXFQK-HUUCEWRRSA-N 0 0 343.431 1.751 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3C=O)s2)C1 ZINC000032916959 441578272 /nfs/dbraw/zinc/57/82/72/441578272.db2.gz MOWNCSAXFYGXMH-LLVKDONJSA-N 0 0 334.401 1.921 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)COc2cccc(C=O)c2)C1 ZINC000113163826 441585034 /nfs/dbraw/zinc/58/50/34/441585034.db2.gz LCVWVOPCLHXVCT-HNNXBMFYSA-N 0 0 332.400 1.785 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1c(Cl)cccc1Cl ZINC000113298463 441600217 /nfs/dbraw/zinc/60/02/17/441600217.db2.gz JXBKIEZYBGSLRL-MRVPVSSYSA-N 0 0 347.227 1.878 10 0 EDAERN CCn1cnc2c1c(=O)n(C[C@H]1CCCO1)c(=O)n2-c1ccccc1 ZINC000034692881 441601201 /nfs/dbraw/zinc/60/12/01/441601201.db2.gz ZPHBMQVQYRSVEL-CQSZACIVSA-N 0 0 340.383 1.548 10 0 EDAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000113584442 441615871 /nfs/dbraw/zinc/61/58/71/441615871.db2.gz BRHIIVVRYLTCTA-HIFRSBDPSA-N 0 0 341.477 1.412 10 0 EDAERN Cc1nn(C)cc1C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113860299 441625624 /nfs/dbraw/zinc/62/56/24/441625624.db2.gz YSYRVGFTIATWLK-UHFFFAOYSA-N 0 0 344.463 1.638 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@H]3CCCOC3)CC2)cn1 ZINC000113860400 441625990 /nfs/dbraw/zinc/62/59/90/441625990.db2.gz MRCURXMUEHMTJN-INIZCTEOSA-N 0 0 334.464 1.709 10 0 EDAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113896556 441626496 /nfs/dbraw/zinc/62/64/96/441626496.db2.gz WPJOFFXLDHKQEX-INIZCTEOSA-N 0 0 337.387 1.682 10 0 EDAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)N(C)CCOC)C2)n1 ZINC000113944668 441628982 /nfs/dbraw/zinc/62/89/82/441628982.db2.gz LQKQKVNVIDYQTP-GFCCVEGCSA-N 0 0 347.506 1.708 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cnn(CC)c3)CC2)n1 ZINC000114276180 441644250 /nfs/dbraw/zinc/64/42/50/441644250.db2.gz PXVLFDJSGWWKHX-GFCCVEGCSA-N 0 0 332.408 1.367 10 0 EDAERN COCCN(CC(=O)OC)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000114396992 441653240 /nfs/dbraw/zinc/65/32/40/441653240.db2.gz NTCZDQVXWGJDDY-NEPJUHHUSA-N 0 0 327.327 1.716 10 0 EDAERN C[C@@H](C(=O)N(C)CCc1ccncc1)N1C(=O)c2ccccc2C1=O ZINC000041539208 441658888 /nfs/dbraw/zinc/65/88/88/441658888.db2.gz GQFBNDQLIMABSC-ZDUSSCGKSA-N 0 0 337.379 1.767 10 0 EDAERN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H](C)NC(N)=O ZINC000055993521 441680763 /nfs/dbraw/zinc/68/07/63/441680763.db2.gz AJQKOOSGCYQQQV-CYBMUJFWSA-N 0 0 329.404 1.286 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2sc(-c3cnn(C)c3)nc2C)C1 ZINC000115033561 441709049 /nfs/dbraw/zinc/70/90/49/441709049.db2.gz YAMCTBMDPSHAIW-ZDUSSCGKSA-N 0 0 347.444 1.593 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000115171079 441715581 /nfs/dbraw/zinc/71/55/81/441715581.db2.gz MOQLQGYUSZWIKT-CQSZACIVSA-N 0 0 342.399 1.396 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000091781111 441740695 /nfs/dbraw/zinc/74/06/95/441740695.db2.gz CHMWWSAWKMDQRD-LBPRGKRZSA-N 0 0 334.759 1.926 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccco2)ncn1 ZINC000173420221 441743319 /nfs/dbraw/zinc/74/33/19/441743319.db2.gz WHDYLSYRGWWVSL-CYBMUJFWSA-N 0 0 329.404 1.829 10 0 EDAERN CCOCCCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115645118 441767711 /nfs/dbraw/zinc/76/77/11/441767711.db2.gz XDPZZZHJIWKFRZ-UHFFFAOYSA-N 0 0 337.468 1.291 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccn(C)n3)C2)n1 ZINC000173383796 441729754 /nfs/dbraw/zinc/72/97/54/441729754.db2.gz LJSONFYPALHORV-NSHDSACASA-N 0 0 333.417 1.530 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)NC3CCCCCCC3)CCO2)[nH]1 ZINC000173666492 441818991 /nfs/dbraw/zinc/81/89/91/441818991.db2.gz NJQJKIHELZTVSB-OAHLLOKOSA-N 0 0 335.452 1.716 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cc3c[nH]c4ccccc34)CCO2)[nH]1 ZINC000173523062 441776217 /nfs/dbraw/zinc/77/62/17/441776217.db2.gz GIZKBIFJSMBFEZ-OAHLLOKOSA-N 0 0 325.372 1.737 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)CCO2)[nH]1 ZINC000173521750 441776431 /nfs/dbraw/zinc/77/64/31/441776431.db2.gz GEVNYCFWAWILFV-CQSZACIVSA-N 0 0 341.371 1.212 10 0 EDAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173543292 441786418 /nfs/dbraw/zinc/78/64/18/441786418.db2.gz HDXOKONKDFTDTM-HNNXBMFYSA-N 0 0 337.387 1.645 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000042809680 441788430 /nfs/dbraw/zinc/78/84/30/441788430.db2.gz JYTKZXDSXUTBTR-LBPRGKRZSA-N 0 0 327.375 1.999 10 0 EDAERN CC(=O)c1cc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n(C)c1 ZINC000121961583 441820644 /nfs/dbraw/zinc/82/06/44/441820644.db2.gz ZKKOIUGUDGIEDN-OAHLLOKOSA-N 0 0 341.415 1.759 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CCNC(=O)OCC(F)(F)F)C2)cn1 ZINC000116120451 441795019 /nfs/dbraw/zinc/79/50/19/441795019.db2.gz GEMAUNKLOOLGRP-JTQLQIEISA-N 0 0 348.325 1.415 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1OC ZINC000042948253 441800698 /nfs/dbraw/zinc/80/06/98/441800698.db2.gz GLLOQPGRGHTXFK-LLVKDONJSA-N 0 0 335.404 1.672 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000173609945 441803184 /nfs/dbraw/zinc/80/31/84/441803184.db2.gz AUJIGYVANQAJPP-UHFFFAOYSA-N 0 0 339.403 1.847 10 0 EDAERN C[C@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)NCc1ccccc1 ZINC000173629979 441808478 /nfs/dbraw/zinc/80/84/78/441808478.db2.gz TXPZXJOWQAZZBJ-KBPBESRZSA-N 0 0 327.432 1.970 10 0 EDAERN O=C(NCCOC1CCCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173891291 441857698 /nfs/dbraw/zinc/85/76/98/441857698.db2.gz LXWKPQORKVYFPG-INIZCTEOSA-N 0 0 339.480 1.842 10 0 EDAERN CC(C)CO[C@H](C)c1noc(CN2CC[C@H](N3CCOCC3)C2)n1 ZINC000173900747 441858591 /nfs/dbraw/zinc/85/85/91/441858591.db2.gz XEJZKDTYYALJAE-CABCVRRESA-N 0 0 338.452 1.710 10 0 EDAERN COc1ccccc1NCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173957898 441869576 /nfs/dbraw/zinc/86/95/76/441869576.db2.gz XMGBSLHMFSTEQX-GOEBONIOSA-N 0 0 333.432 1.286 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)NCc3ccc(F)cc3)C2)cn1 ZINC000173786890 441840871 /nfs/dbraw/zinc/84/08/71/441840871.db2.gz MUCPIUHESOZCGQ-CYBMUJFWSA-N 0 0 330.363 1.192 10 0 EDAERN O=C(NC1C2CC3CC(C2)CC1C3)N1CC[C@@H](N2CCOCC2)C1 ZINC000173787385 441840981 /nfs/dbraw/zinc/84/09/81/441840981.db2.gz GQXFRHNPHPHOOG-SVXFNXITSA-N 0 0 333.476 1.927 10 0 EDAERN Cc1nccn1-c1cncc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 ZINC000092922287 441841513 /nfs/dbraw/zinc/84/15/13/441841513.db2.gz QRADXXSLUYGEOD-QGZVFWFLSA-N 0 0 339.403 1.456 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@@H]1CC ZINC000116771369 441842797 /nfs/dbraw/zinc/84/27/97/441842797.db2.gz SORJZURXAQLPHF-HNNXBMFYSA-N 0 0 345.447 1.839 10 0 EDAERN C[C@H](CNC(=O)Nc1ccc(C(=O)N(C)C)cc1)N1CCOCC1 ZINC000043486855 441842909 /nfs/dbraw/zinc/84/29/09/441842909.db2.gz VEMSXDGMRNAMKQ-CYBMUJFWSA-N 0 0 334.420 1.231 10 0 EDAERN COC[C@H](C)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000173861116 441851886 /nfs/dbraw/zinc/85/18/86/441851886.db2.gz GCXDGSCQFRWSQG-ZDUSSCGKSA-N 0 0 328.434 1.014 10 0 EDAERN C[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173871032 441852875 /nfs/dbraw/zinc/85/28/75/441852875.db2.gz PTHLITQPWRDLIF-WBVHZDCISA-N 0 0 330.428 1.829 10 0 EDAERN COC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CN(C(=O)OC)C1 ZINC000149840579 441927284 /nfs/dbraw/zinc/92/72/84/441927284.db2.gz QJIWTBDMVXAPNI-ZDUSSCGKSA-N 0 0 336.344 1.153 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3cccc(C)n3)CC2)no1 ZINC000174149915 441894372 /nfs/dbraw/zinc/89/43/72/441894372.db2.gz BRVIJLGNQXJWSW-UHFFFAOYSA-N 0 0 344.419 1.499 10 0 EDAERN NS(=O)(=O)N1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000095982428 441969215 /nfs/dbraw/zinc/96/92/15/441969215.db2.gz HYKARMXSPXPENH-UHFFFAOYSA-N 0 0 344.487 1.193 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cnn(CC3CC3)c1)CC2 ZINC000174490736 441930197 /nfs/dbraw/zinc/93/01/97/441930197.db2.gz FKEFTBKFRAELKK-LBPRGKRZSA-N 0 0 329.408 1.584 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000150776083 441948393 /nfs/dbraw/zinc/94/83/93/441948393.db2.gz CUSITJGRIOINME-UHFFFAOYSA-N 0 0 331.420 1.555 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000119823158 441958284 /nfs/dbraw/zinc/95/82/84/441958284.db2.gz VFGRDHLOSXLEFC-AWEZNQCLSA-N 0 0 341.415 1.788 10 0 EDAERN C[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)Oc1ccccc1F ZINC000175004580 441994061 /nfs/dbraw/zinc/99/40/61/441994061.db2.gz BOWPZJKBWMVEMG-KBPBESRZSA-N 0 0 339.411 1.613 10 0 EDAERN O=C(Cc1c[nH]c2ncccc12)N1CCO[C@@H](Cn2cccn2)C1 ZINC000120088625 442006189 /nfs/dbraw/zinc/00/61/89/442006189.db2.gz OVOZRNFMVKEQQO-CQSZACIVSA-N 0 0 325.372 1.230 10 0 EDAERN CC(C)c1nc(C2(NC(=O)[C@@H](C)CS(C)(=O)=O)CCCC2)no1 ZINC000175185857 442012632 /nfs/dbraw/zinc/01/26/32/442012632.db2.gz ZDSMEBWPHMMHDL-NSHDSACASA-N 0 0 343.449 1.759 10 0 EDAERN CC(C)COc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000120141300 442014720 /nfs/dbraw/zinc/01/47/20/442014720.db2.gz XSCHYJMYLSLBNM-ZDUSSCGKSA-N 0 0 330.392 1.844 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn(CC(C)C)c1C ZINC000120157161 442019063 /nfs/dbraw/zinc/01/90/63/442019063.db2.gz RMTHKHHCVYYKPA-AWEZNQCLSA-N 0 0 346.435 1.850 10 0 EDAERN COc1ccccc1CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000175293710 442034093 /nfs/dbraw/zinc/03/40/93/442034093.db2.gz IFCIZWYINKSTNM-AWEZNQCLSA-N 0 0 331.376 1.405 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCc3ccccc3F)CCO2)[nH]1 ZINC000175314323 442039354 /nfs/dbraw/zinc/03/93/54/442039354.db2.gz QOKQHZLEEHVEDS-CQSZACIVSA-N 0 0 333.367 1.578 10 0 EDAERN COCCC1(C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)CC1 ZINC000161970598 442050076 /nfs/dbraw/zinc/05/00/76/442050076.db2.gz ZRAKNTSWAJQVKT-UHFFFAOYSA-N 0 0 334.464 1.498 10 0 EDAERN CCC[C@H](CNC(=O)[C@@H]1CC[C@H](C)O1)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000151409976 442057389 /nfs/dbraw/zinc/05/73/89/442057389.db2.gz LULUBOYDNDNKEG-RMEBNNNOSA-N 0 0 326.437 1.523 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000120447137 442074242 /nfs/dbraw/zinc/07/42/42/442074242.db2.gz UXFAEKOWNYKYOW-CQSZACIVSA-N 0 0 331.376 1.977 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)NC2(c3noc(CC)n3)CCCC2)C1 ZINC000151521145 442078145 /nfs/dbraw/zinc/07/81/45/442078145.db2.gz UPSORFMHMWIAMM-GFCCVEGCSA-N 0 0 334.420 1.776 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCC1=CCCC1 ZINC000120481574 442079896 /nfs/dbraw/zinc/07/98/96/442079896.db2.gz NYRLEMDYOLZFOG-GFCCVEGCSA-N 0 0 347.440 1.730 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@](C)(O)c1cccs1)CC2 ZINC000120523656 442088530 /nfs/dbraw/zinc/08/85/30/442088530.db2.gz IQRGQQMSOJFPDA-BDJLRTHQSA-N 0 0 349.460 1.424 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000162391270 442088849 /nfs/dbraw/zinc/08/88/49/442088849.db2.gz CNFDVLSIRBHKLD-MRXNPFEDSA-N 0 0 347.459 1.523 10 0 EDAERN O=C(CNC(=O)c1cccs1)N1CCC(Cn2cccn2)CC1 ZINC000126212373 442089499 /nfs/dbraw/zinc/08/94/99/442089499.db2.gz CMXWCDFGUNKIEM-UHFFFAOYSA-N 0 0 332.429 1.613 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2cncc(Br)c2)C1 ZINC000126508409 442117558 /nfs/dbraw/zinc/11/75/58/442117558.db2.gz RQJSHHPCZOCDJP-LLVKDONJSA-N 0 0 329.198 1.296 10 0 EDAERN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000162772467 442121552 /nfs/dbraw/zinc/12/15/52/442121552.db2.gz PJWAAFHNAORTGW-NSHDSACASA-N 0 0 332.491 1.858 10 0 EDAERN NC(=O)NC1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000163057982 442140470 /nfs/dbraw/zinc/14/04/70/442140470.db2.gz CBTOTTVUXHNZMF-MWLCHTKSSA-N 0 0 336.358 1.950 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccccc2Cl)C1 ZINC000120865074 442143091 /nfs/dbraw/zinc/14/30/91/442143091.db2.gz GJISTBDHYQOFDC-BLLLJJGKSA-N 0 0 341.839 1.177 10 0 EDAERN O=C(Nc1ccc2c(c1)CCC(=O)N2)N[C@H]1CCCn2ncnc21 ZINC000175905873 442144211 /nfs/dbraw/zinc/14/42/11/442144211.db2.gz SRUDWUQGFZXWCK-ZDUSSCGKSA-N 0 0 326.360 1.819 10 0 EDAERN C[C@@H]1CN(C(=O)NCCSC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000175693672 442107304 /nfs/dbraw/zinc/10/73/04/442107304.db2.gz FLWRFYKSRNAFDW-GHMZBOCLSA-N 0 0 341.399 1.602 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)O1 ZINC000151694983 442107982 /nfs/dbraw/zinc/10/79/82/442107982.db2.gz POZPFBGNZNOJGD-CHWSQXEVSA-N 0 0 335.408 1.187 10 0 EDAERN O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000152126152 442168703 /nfs/dbraw/zinc/16/87/03/442168703.db2.gz PELKZARDPKXQPQ-MLGOLLRUSA-N 0 0 330.363 1.660 10 0 EDAERN COc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc(OC)c1OC ZINC000121061424 442172017 /nfs/dbraw/zinc/17/20/17/442172017.db2.gz VAQIATZJOURGQI-HNNXBMFYSA-N 0 0 336.432 1.619 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cnn(CC(C)C)c3C)CCO2)[nH]1 ZINC000164028466 442188638 /nfs/dbraw/zinc/18/86/38/442188638.db2.gz OMXVFMWAIIFDOZ-AWEZNQCLSA-N 0 0 332.408 1.488 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)C(C)C ZINC000152367616 442203540 /nfs/dbraw/zinc/20/35/40/442203540.db2.gz SPXXQVWHDNESMV-QAPCUYQASA-N 0 0 346.475 1.963 10 0 EDAERN O=C(CCNC(=O)N[C@@H]1CCCC[C@H]1CO)NC1CCCCC1 ZINC000175987625 442157613 /nfs/dbraw/zinc/15/76/13/442157613.db2.gz NJHWPIDDQUZDTE-DZGCQCFKSA-N 0 0 325.453 1.676 10 0 EDAERN CN(C)C(=O)c1ccnc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000163327659 442158255 /nfs/dbraw/zinc/15/82/55/442158255.db2.gz VKCOKDFKOBVVKF-MRXNPFEDSA-N 0 0 340.427 1.895 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000176017048 442161948 /nfs/dbraw/zinc/16/19/48/442161948.db2.gz WIPHZXHQVJMPSE-CQSZACIVSA-N 0 0 327.388 1.793 10 0 EDAERN COc1cc(C)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1C ZINC000176743615 442252409 /nfs/dbraw/zinc/25/24/09/442252409.db2.gz WBDYLGRYSKZUGM-GFCCVEGCSA-N 0 0 336.417 1.717 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Cl)cc1F ZINC000176745641 442252579 /nfs/dbraw/zinc/25/25/79/442252579.db2.gz SVOMZVKPNAYOIT-JTQLQIEISA-N 0 0 330.772 1.884 10 0 EDAERN CC(C)c1nnc(CN2C(=O)N[C@@](C)(c3cccnc3)C2=O)n1C ZINC000176756709 442254425 /nfs/dbraw/zinc/25/44/25/442254425.db2.gz VUZVRCPKPFPHAY-INIZCTEOSA-N 0 0 328.376 1.301 10 0 EDAERN Cc1noc2nc(C)cc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)c12 ZINC000127478632 442206233 /nfs/dbraw/zinc/20/62/33/442206233.db2.gz QTMRDMKOKWHSSW-CYBMUJFWSA-N 0 0 340.387 1.984 10 0 EDAERN CC(C)(C)C(=O)NCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176446988 442223549 /nfs/dbraw/zinc/22/35/49/442223549.db2.gz RAIDQKLIDITDPH-ZDUSSCGKSA-N 0 0 347.463 1.830 10 0 EDAERN O=S(=O)(Cc1ccc(Cl)nc1)N1CCN2CCCC[C@@H]2C1 ZINC000170662640 442244804 /nfs/dbraw/zinc/24/48/04/442244804.db2.gz JHCAHKICXUKXBU-CYBMUJFWSA-N 0 0 329.853 1.735 10 0 EDAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176691381 442246988 /nfs/dbraw/zinc/24/69/88/442246988.db2.gz VALJGWPFZJGCAZ-RISCZKNCSA-N 0 0 328.376 1.240 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000176996382 442282055 /nfs/dbraw/zinc/28/20/55/442282055.db2.gz WHEWXUOQOPRIHP-OCCSQVGLSA-N 0 0 344.864 1.681 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccccc2F)C[C@@H]1N1CCOCC1 ZINC000176994068 442282061 /nfs/dbraw/zinc/28/20/61/442282061.db2.gz JEWOWSWXBLPCRQ-JSGCOSHPSA-N 0 0 328.409 1.167 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CNc1ccccc1)CC2 ZINC000128765581 442286974 /nfs/dbraw/zinc/28/69/74/442286974.db2.gz RHOVCCIYIXARIN-UKRRQHHQSA-N 0 0 342.447 1.955 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCCN(c3ccccc3)CC2)C1 ZINC000170924445 442290268 /nfs/dbraw/zinc/29/02/68/442290268.db2.gz IWVFVLZSPXACPE-KRWDZBQOSA-N 0 0 332.448 1.239 10 0 EDAERN COC(=O)N[C@@H](C(=O)NC[C@@H](C)N1CCc2ccccc21)C(C)C ZINC000170989036 442296498 /nfs/dbraw/zinc/29/64/98/442296498.db2.gz YTCREWFTPXNUHR-CZUORRHYSA-N 0 0 333.432 1.934 10 0 EDAERN CCCc1cc(=O)n2nc(N[C@H]3CCc4ncnn4C3)sc2n1 ZINC000170999804 442297474 /nfs/dbraw/zinc/29/74/74/442297474.db2.gz RULNHGBNCSOHCG-JTQLQIEISA-N 0 0 331.405 1.122 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000177136892 442303425 /nfs/dbraw/zinc/30/34/25/442303425.db2.gz CIBPDTAUWOILNS-GFCCVEGCSA-N 0 0 329.356 1.518 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cc3ccc(-n4ccnc4)nc3)CCO2)c1 ZINC000177140868 442304093 /nfs/dbraw/zinc/30/40/93/442304093.db2.gz ZEAGFTIECAMZQS-QGZVFWFLSA-N 0 0 338.415 1.673 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)CCc2nnc[nH]2)N2CCOCC2)s1 ZINC000177248940 442319210 /nfs/dbraw/zinc/31/92/10/442319210.db2.gz QOPDWIXPLCDLCF-CYBMUJFWSA-N 0 0 349.460 1.297 10 0 EDAERN C[C@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H]1N1CCOCC1 ZINC000177248515 442319639 /nfs/dbraw/zinc/31/96/39/442319639.db2.gz SUFQRKXLPHMVBK-HOCLYGCPSA-N 0 0 328.416 1.889 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3CSCCS3)CCO2)c1 ZINC000177281560 442324415 /nfs/dbraw/zinc/32/44/15/442324415.db2.gz PXXJPEKOGOZBPJ-OLZOCXBDSA-N 0 0 327.475 1.268 10 0 EDAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171234043 442331200 /nfs/dbraw/zinc/33/12/00/442331200.db2.gz BXURMZJBMYFLEU-CABCVRRESA-N 0 0 348.447 1.950 10 0 EDAERN CC1(C)COCCN1CCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000171095604 442310953 /nfs/dbraw/zinc/31/09/53/442310953.db2.gz YEUMUTSDOWMXTI-HNNXBMFYSA-N 0 0 333.432 1.920 10 0 EDAERN Cc1cccc(OCCNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000177228581 442316242 /nfs/dbraw/zinc/31/62/42/442316242.db2.gz SELAPJSUJDZTLS-AEFFLSMTSA-N 0 0 347.459 1.736 10 0 EDAERN CCn1cc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1=O ZINC000177229316 442316651 /nfs/dbraw/zinc/31/66/51/442316651.db2.gz ZQUFYOLKGSTQPY-DZGCQCFKSA-N 0 0 334.420 1.053 10 0 EDAERN O=C(Nc1cc(F)ccc1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177630202 442364796 /nfs/dbraw/zinc/36/47/96/442364796.db2.gz ANROLIJMOGPMHB-SECBINFHSA-N 0 0 337.742 1.140 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 ZINC000171653664 442367087 /nfs/dbraw/zinc/36/70/87/442367087.db2.gz FUMKDYUONBCYCG-GFCCVEGCSA-N 0 0 335.429 1.932 10 0 EDAERN CC(C)C(=O)NCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171986514 442396029 /nfs/dbraw/zinc/39/60/29/442396029.db2.gz LKVRKRRPBAJLPA-RDJZCZTQSA-N 0 0 345.443 1.485 10 0 EDAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)nnn1-c1ccccc1Cl ZINC000171535925 442355221 /nfs/dbraw/zinc/35/52/21/442355221.db2.gz IMEBHRJQBLOGPS-LBPRGKRZSA-N 0 0 349.822 1.290 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C=O)[nH]2)ncn1 ZINC000177575735 442358526 /nfs/dbraw/zinc/35/85/26/442358526.db2.gz CMAWORACOAIZPC-GFCCVEGCSA-N 0 0 328.376 1.058 10 0 EDAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(N2CCOCC2)ccn1 ZINC000130915333 442360140 /nfs/dbraw/zinc/36/01/40/442360140.db2.gz QDROWKCOTYHLRF-GOEBONIOSA-N 0 0 330.432 1.227 10 0 EDAERN Cn1ccnc1CN1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000155509464 442403656 /nfs/dbraw/zinc/40/36/56/442403656.db2.gz AMXPQZBVUAYZGG-HOTGVXAUSA-N 0 0 334.464 1.299 10 0 EDAERN C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155606073 442412358 /nfs/dbraw/zinc/41/23/58/442412358.db2.gz IPTNPLIQKJLAGG-BPUTZDHNSA-N 0 0 334.416 1.969 10 0 EDAERN Cc1cc(CNC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)on1 ZINC000172129823 442412431 /nfs/dbraw/zinc/41/24/31/442412431.db2.gz FUZWJDIMLWZSCF-CQSZACIVSA-N 0 0 332.408 1.813 10 0 EDAERN CCC[C@H](C(=O)N1CCCN(Cc2cnn(CC)c2)CC1)[NH+](C)C ZINC000155627526 442413996 /nfs/dbraw/zinc/41/39/96/442413996.db2.gz JYMSGDMCWQGYBY-QGZVFWFLSA-N 0 0 335.496 1.668 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3onc(CC)c3c2)C[C@@H]1C ZINC000172222438 442425852 /nfs/dbraw/zinc/42/58/52/442425852.db2.gz PQKJWPZMYNSVKH-ZDUSSCGKSA-N 0 0 346.431 1.968 10 0 EDAERN CC(=O)N1c2ccc(S(=O)(=O)NCC(=O)C(C)C)cc2C[C@@H]1C ZINC000133698594 442430234 /nfs/dbraw/zinc/43/02/34/442430234.db2.gz QMZASPKUGAEAIL-NSHDSACASA-N 0 0 338.429 1.488 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccc(Cl)cc1OC)C(C)C ZINC000178418683 442432201 /nfs/dbraw/zinc/43/22/01/442432201.db2.gz TYWMIDVAIYJKAH-CYBMUJFWSA-N 0 0 327.812 1.918 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000172255222 442431087 /nfs/dbraw/zinc/43/10/87/442431087.db2.gz QCUIMDIJZZTTBB-GFCCVEGCSA-N 0 0 347.806 1.564 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCC(OC2CCCC2)CC1)C(C)C ZINC000178435188 442433806 /nfs/dbraw/zinc/43/38/06/442433806.db2.gz ILIVGVIUIIBGQL-OAHLLOKOSA-N 0 0 325.453 1.890 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)C(C)C ZINC000178442333 442434362 /nfs/dbraw/zinc/43/43/62/442434362.db2.gz FCNFUVSXDRENSZ-ZUZCIYMTSA-N 0 0 332.404 1.312 10 0 EDAERN CS[C@@H](C)CNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000133987609 442443870 /nfs/dbraw/zinc/44/38/70/442443870.db2.gz VCHXVFIKTMFZPB-NSHDSACASA-N 0 0 327.454 1.347 10 0 EDAERN COc1ccc(C(C)(C)C(=O)NC[C@H]2CN(C)CCO2)cc1OC ZINC000134001602 442444907 /nfs/dbraw/zinc/44/49/07/442444907.db2.gz QKAFWWTWZPVEDC-AWEZNQCLSA-N 0 0 336.432 1.428 10 0 EDAERN COCCOCCNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172363650 442450107 /nfs/dbraw/zinc/45/01/07/442450107.db2.gz KZVXLKGGWAAWGA-UHFFFAOYSA-N 0 0 348.403 1.322 10 0 EDAERN C[C@H](CNC(=O)Nc1ccn(Cc2ccncc2)n1)N1CCOCC1 ZINC000172370076 442451001 /nfs/dbraw/zinc/45/10/01/442451001.db2.gz GDKWHSRXFVMSHL-CQSZACIVSA-N 0 0 344.419 1.169 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(OC)ccc1F ZINC000156184114 442453029 /nfs/dbraw/zinc/45/30/29/442453029.db2.gz GWSNKGWVVJQKPX-GFCCVEGCSA-N 0 0 337.395 1.716 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000186220545 442490101 /nfs/dbraw/zinc/49/01/01/442490101.db2.gz XVFCYJAMZMADJH-HNNXBMFYSA-N 0 0 347.419 1.003 10 0 EDAERN CCOC1CC(CCNC(=O)N2CCN(CCOC)[C@H](C)C2)C1 ZINC000191694014 442491427 /nfs/dbraw/zinc/49/14/27/442491427.db2.gz VVXPEOHYBHYQHG-QQFBHYJXSA-N 0 0 327.469 1.554 10 0 EDAERN CC1(C)CN(CCNC(=O)N2CCC(c3cc[nH]n3)CC2)CCO1 ZINC000172576279 442495347 /nfs/dbraw/zinc/49/53/47/442495347.db2.gz FTPQWKACBXOKTC-UHFFFAOYSA-N 0 0 335.452 1.410 10 0 EDAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000186253087 442496465 /nfs/dbraw/zinc/49/64/65/442496465.db2.gz IPGFABUMGGDXBG-BPLDGKMQSA-N 0 0 326.404 1.781 10 0 EDAERN CNC(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000172604216 442502107 /nfs/dbraw/zinc/50/21/07/442502107.db2.gz ZZEFUFBWSWPFCO-GFCCVEGCSA-N 0 0 328.376 1.083 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cnn4c3CCCC4)CCO2)cn1 ZINC000191736991 442502823 /nfs/dbraw/zinc/50/28/23/442502823.db2.gz VRKKIWFUGRWHEF-MRXNPFEDSA-N 0 0 329.404 1.650 10 0 EDAERN O=C(/C=C/c1cncc(O)c1)N1CCCN(c2cccnn2)CC1 ZINC000179506244 442468447 /nfs/dbraw/zinc/46/84/47/442468447.db2.gz IOHNRQUOMZEMNI-SNAWJCMRSA-N 0 0 325.372 1.329 10 0 EDAERN Cc1cc(NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n(C)n1 ZINC000172476037 442471233 /nfs/dbraw/zinc/47/12/33/442471233.db2.gz OFABOIGJSQYLEY-CYBMUJFWSA-N 0 0 329.408 1.651 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000191618801 442477900 /nfs/dbraw/zinc/47/79/00/442477900.db2.gz OCBVNCUMSDKZLD-ABAIWWIYSA-N 0 0 338.429 1.881 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)s1 ZINC000186176163 442479043 /nfs/dbraw/zinc/47/90/43/442479043.db2.gz WCHFPWJFUSFRBI-UHFFFAOYSA-N 0 0 329.447 1.049 10 0 EDAERN O=C(Nc1ccc(Cl)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172750844 442533913 /nfs/dbraw/zinc/53/39/13/442533913.db2.gz DKOOZECZABMGMS-AWEZNQCLSA-N 0 0 337.807 1.212 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000186437757 442534569 /nfs/dbraw/zinc/53/45/69/442534569.db2.gz BUEZQJBJIQVYGJ-AWEZNQCLSA-N 0 0 338.423 1.946 10 0 EDAERN Cc1nc(CC2CC2)sc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000191892381 442534899 /nfs/dbraw/zinc/53/48/99/442534899.db2.gz QHBWGYBFHRGHDA-AWEZNQCLSA-N 0 0 335.473 1.951 10 0 EDAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172757704 442536040 /nfs/dbraw/zinc/53/60/40/442536040.db2.gz NDZVSUTYVFQHRJ-QGZVFWFLSA-N 0 0 348.491 1.632 10 0 EDAERN O=C(c1cc(-c2cccs2)n[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000172763466 442538121 /nfs/dbraw/zinc/53/81/21/442538121.db2.gz JWPJLYSQSIUQQO-LBPRGKRZSA-N 0 0 332.429 1.685 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C12CCCC2 ZINC000172637423 442512381 /nfs/dbraw/zinc/51/23/81/442512381.db2.gz QIPXSVXQGWXKJO-CHWSQXEVSA-N 0 0 332.466 1.122 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)NC[C@@H]3CCCO3)CC2)cn1 ZINC000172647501 442514294 /nfs/dbraw/zinc/51/42/94/442514294.db2.gz FFSKBLCYAHQVHJ-KRWDZBQOSA-N 0 0 349.479 1.689 10 0 EDAERN Cc1nccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1 ZINC000156810169 442523067 /nfs/dbraw/zinc/52/30/67/442523067.db2.gz GGLUIPOAJHMCEV-NVXWUHKLSA-N 0 0 342.374 1.760 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)[C@H]3CC(c4cccnc4)=NO3)C2)cn1 ZINC000191864801 442527998 /nfs/dbraw/zinc/52/79/98/442527998.db2.gz DFGOJOSGLBWILA-CZUORRHYSA-N 0 0 325.372 1.324 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1nc(SC)ns1)CC2 ZINC000156881054 442528894 /nfs/dbraw/zinc/52/88/94/442528894.db2.gz XSHGTQHOIKIPBU-SSDOTTSWSA-N 0 0 339.450 1.550 10 0 EDAERN CCCc1noc(CCCC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000172743724 442531594 /nfs/dbraw/zinc/53/15/94/442531594.db2.gz XAMUTXNSTKJFOV-AWEZNQCLSA-N 0 0 336.436 1.278 10 0 EDAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749776 442532591 /nfs/dbraw/zinc/53/25/91/442532591.db2.gz KIXFEUATZPTUNZ-STQMWFEESA-N 0 0 340.370 1.665 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CCN1CCOC ZINC000191889953 442533660 /nfs/dbraw/zinc/53/36/60/442533660.db2.gz WIPCTUZFLGMMDA-WBVHZDCISA-N 0 0 346.431 1.144 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c(Cl)n1 ZINC000192025039 442572637 /nfs/dbraw/zinc/57/26/37/442572637.db2.gz DNWQAQKQFYEAOU-VIFPVBQESA-N 0 0 327.797 1.448 10 0 EDAERN CN(C)c1ncc(NC(=O)C(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000179108013 442574436 /nfs/dbraw/zinc/57/44/36/442574436.db2.gz LKDDAYWVOCUODJ-VIFPVBQESA-N 0 0 345.325 1.282 10 0 EDAERN C[C@H](NC(=O)CN(C)C(=O)c1cccs1)c1nnc2n1CCCC2 ZINC000135370118 442587715 /nfs/dbraw/zinc/58/77/15/442587715.db2.gz XEXWGAQPSFXKGW-NSHDSACASA-N 0 0 347.444 1.625 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)OCC3CC3)C2=O)n(C)n1 ZINC000173067792 442598572 /nfs/dbraw/zinc/59/85/72/442598572.db2.gz OSCOYBYJSGBKDD-TZMCWYRMSA-N 0 0 334.420 1.155 10 0 EDAERN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179240596 442603504 /nfs/dbraw/zinc/60/35/04/442603504.db2.gz MBGZKIQOHOQGRB-NUEKZKHPSA-N 0 0 334.416 1.969 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2SCCc3ccccc32)CC1 ZINC000173106046 442604827 /nfs/dbraw/zinc/60/48/27/442604827.db2.gz WSDHCRVCMDKDFE-NVXWUHKLSA-N 0 0 334.485 1.932 10 0 EDAERN C[C@@H](c1nnnn1C1CC1)N1CCC(N(C)c2cccnn2)CC1 ZINC000191998795 442559571 /nfs/dbraw/zinc/55/95/71/442559571.db2.gz LLDWMMMJSOOZRR-LBPRGKRZSA-N 0 0 328.424 1.460 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000179078385 442566799 /nfs/dbraw/zinc/56/67/99/442566799.db2.gz ZGEUPLJZSBLJDW-LLVKDONJSA-N 0 0 346.214 1.819 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C ZINC000180253973 442567340 /nfs/dbraw/zinc/56/73/40/442567340.db2.gz MQFCSMYDQRMDAQ-YOEHRIQHSA-N 0 0 345.443 1.421 10 0 EDAERN C[C@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@@H]1N1CCOCC1 ZINC000157996055 442636437 /nfs/dbraw/zinc/63/64/37/442636437.db2.gz RTBUJMABKZEVKT-YOEHRIQHSA-N 0 0 332.448 1.791 10 0 EDAERN CC[C@H](C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1)N1CCCC1=O ZINC000173273321 442639202 /nfs/dbraw/zinc/63/92/02/442639202.db2.gz NCKPUGCVDMCENR-JKSUJKDBSA-N 0 0 348.447 1.128 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC2CCSCC2)C1 ZINC000192375724 442642600 /nfs/dbraw/zinc/64/26/00/442642600.db2.gz SYMBGONPKJLYGD-NWDGAFQWSA-N 0 0 326.422 1.745 10 0 EDAERN CSc1cccc(C)c1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000187170865 442658176 /nfs/dbraw/zinc/65/81/76/442658176.db2.gz VPNHBWJFICYKKI-UHFFFAOYSA-N 0 0 332.429 1.977 10 0 EDAERN CC1CCC2(CC1)OC[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)O2 ZINC000180696772 442649237 /nfs/dbraw/zinc/64/92/37/442649237.db2.gz KCQCJHYASQNYRE-GWUWNPHMSA-N 0 0 325.453 1.654 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2cnn3c2CCCC3)C12CCOCC2 ZINC000187126229 442654496 /nfs/dbraw/zinc/65/44/96/442654496.db2.gz YHYMRXMWYOVNEJ-CVEARBPZSA-N 0 0 333.432 1.923 10 0 EDAERN CCS[C@@H]1CCC[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187429365 442676315 /nfs/dbraw/zinc/67/63/15/442676315.db2.gz SOWXSLMOHHWEHA-GXTWGEPZSA-N 0 0 325.478 1.971 10 0 EDAERN CCc1onc(C)c1C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000187448681 442677424 /nfs/dbraw/zinc/67/74/24/442677424.db2.gz CCOMCEZSLQZPDB-LBPRGKRZSA-N 0 0 344.419 1.776 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCn1cccn1 ZINC000187471122 442678154 /nfs/dbraw/zinc/67/81/54/442678154.db2.gz IUMXOEKXQNUYNW-NWDGAFQWSA-N 0 0 326.372 1.347 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187194217 442659621 /nfs/dbraw/zinc/65/96/21/442659621.db2.gz IJMAYRWMPYABBU-RYUDHWBXSA-N 0 0 337.424 1.516 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H](C)c3cccnc3)CCO2)[nH]1 ZINC000136420533 442663132 /nfs/dbraw/zinc/66/31/32/442663132.db2.gz JQNINLMHNWIVIH-WCQYABFASA-N 0 0 330.392 1.606 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192576257 442664952 /nfs/dbraw/zinc/66/49/52/442664952.db2.gz XNHBSNVITFEZOT-HNNXBMFYSA-N 0 0 344.463 1.720 10 0 EDAERN Cc1nc2sc3c(c2c(N2CCOC[C@@H]2C(N)=O)n1)CC[C@@H](C)C3 ZINC000182032191 442729877 /nfs/dbraw/zinc/72/98/77/442729877.db2.gz WSFHGKWSHFZIEW-BXKDBHETSA-N 0 0 346.456 1.815 10 0 EDAERN C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(OCCF)c2)C[C@H]1C ZINC000182037067 442730730 /nfs/dbraw/zinc/73/07/30/442730730.db2.gz KOXQOTYLKGEUJF-ZIAGYGMSSA-N 0 0 339.411 1.954 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O ZINC000193375397 442736934 /nfs/dbraw/zinc/73/69/34/442736934.db2.gz JSFBTUOCXCDPHR-PXAZEXFGSA-N 0 0 338.379 1.770 10 0 EDAERN CCO[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000193392640 442738372 /nfs/dbraw/zinc/73/83/72/442738372.db2.gz QKQOORQYQKGAPU-NVXWUHKLSA-N 0 0 335.448 1.784 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000193393296 442738835 /nfs/dbraw/zinc/73/88/35/442738835.db2.gz JQPSLADFFHNBEN-HNAYVOBHSA-N 0 0 331.412 1.807 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H](C)C2 ZINC000182221333 442746635 /nfs/dbraw/zinc/74/66/35/442746635.db2.gz CMSVRXXLDOPUNH-YVEFUNNKSA-N 0 0 341.415 1.338 10 0 EDAERN CN(C(=O)c1ccnc(F)c1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000193562203 442754088 /nfs/dbraw/zinc/75/40/88/442754088.db2.gz SJAIZFXMVRXKHJ-LLVKDONJSA-N 0 0 333.342 1.891 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3c[nH]nc3C(C)C)CCO2)n1 ZINC000193572157 442754981 /nfs/dbraw/zinc/75/49/81/442754981.db2.gz QZUPHHWMLQLTLV-AWEZNQCLSA-N 0 0 331.420 1.888 10 0 EDAERN COc1ccc(-n2nc(C(=O)N3CCCNC(=O)[C@H]3C)cc2C)cc1 ZINC000188071876 442708177 /nfs/dbraw/zinc/70/81/77/442708177.db2.gz PITBCSFTUFBYHL-CYBMUJFWSA-N 0 0 342.399 1.540 10 0 EDAERN O=C(NOC[C@@H]1CCOC1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000188089347 442710059 /nfs/dbraw/zinc/71/00/59/442710059.db2.gz HFFPIADZYVHVTO-CYBMUJFWSA-N 0 0 346.387 1.628 10 0 EDAERN Cc1oncc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000181692979 442710288 /nfs/dbraw/zinc/71/02/88/442710288.db2.gz KMCYZOQMFSMSLD-KRWDZBQOSA-N 0 0 331.416 1.541 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000188090734 442710596 /nfs/dbraw/zinc/71/05/96/442710596.db2.gz ANIGUQFSSRQARA-NSHDSACASA-N 0 0 332.791 1.876 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCCOc2ccccc2C)CC1 ZINC000181713651 442711869 /nfs/dbraw/zinc/71/18/69/442711869.db2.gz ZKGMUBTZEJKYAN-KRWDZBQOSA-N 0 0 349.475 1.862 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccc3c(c2)CCO3)CC1 ZINC000181764144 442714750 /nfs/dbraw/zinc/71/47/50/442714750.db2.gz PBIHQHVSKUYNKN-QGZVFWFLSA-N 0 0 347.459 1.262 10 0 EDAERN C[C@H]1CN(Cc2ccc(Br)cn2)C[C@H]1N1CCOCC1 ZINC000246532956 442789700 /nfs/dbraw/zinc/78/97/00/442789700.db2.gz SCXUQUGUURFJEV-SWLSCSKDSA-N 0 0 340.265 1.997 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000188753942 442805573 /nfs/dbraw/zinc/80/55/73/442805573.db2.gz LOMSWFMKAWMOBA-LBPRGKRZSA-N 0 0 330.392 1.114 10 0 EDAERN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000193615936 442759697 /nfs/dbraw/zinc/75/96/97/442759697.db2.gz SLVGLSJHWZCJFX-KRWDZBQOSA-N 0 0 336.436 1.812 10 0 EDAERN CC(C)CNC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182396232 442763194 /nfs/dbraw/zinc/76/31/94/442763194.db2.gz AZQIRNNYWQPIAJ-NSHDSACASA-N 0 0 330.454 1.014 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cn4ccnc4s3)CCO2)[nH]1 ZINC000188579848 442765220 /nfs/dbraw/zinc/76/52/20/442765220.db2.gz JRGQTMBHRSZVKO-VIFPVBQESA-N 0 0 332.389 1.290 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000182524543 442781033 /nfs/dbraw/zinc/78/10/33/442781033.db2.gz DHSBKHHORUWFAY-AYBZRNKSSA-N 0 0 332.444 1.463 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000193902420 442809121 /nfs/dbraw/zinc/80/91/21/442809121.db2.gz LWTGCFKVPXBSKW-SLEUVZQESA-N 0 0 325.430 1.940 10 0 EDAERN Cn1nnc2ccc(C(=O)N[C@@H]3CCCN(c4cccnn4)C3)cc21 ZINC000182707622 442810669 /nfs/dbraw/zinc/81/06/69/442810669.db2.gz FNWANYIJOJJAJZ-CYBMUJFWSA-N 0 0 337.387 1.157 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CCN1C[C@H](C)O ZINC000246824520 442815978 /nfs/dbraw/zinc/81/59/78/442815978.db2.gz LLJOTZKBIRKDRA-DZGCQCFKSA-N 0 0 344.415 1.654 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1)[C@H]1CCCO1 ZINC000193943123 442816572 /nfs/dbraw/zinc/81/65/72/442816572.db2.gz QBJFIDRSAOLAMK-IUODEOHRSA-N 0 0 328.372 1.495 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3ccc(CO)cc3)CC2)n1 ZINC000182754118 442819395 /nfs/dbraw/zinc/81/93/95/442819395.db2.gz HRFKCWMLIITCHE-UHFFFAOYSA-N 0 0 342.443 1.998 10 0 EDAERN C[S@](=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188888144 442836347 /nfs/dbraw/zinc/83/63/47/442836347.db2.gz ZFLAOGYVQDBWIQ-DEOSSOPVSA-N 0 0 349.456 1.234 10 0 EDAERN COCCN1CCN(C(=O)N[C@H]2CCOc3ccccc32)C[C@H]1C ZINC000247129397 442836614 /nfs/dbraw/zinc/83/66/14/442836614.db2.gz OMHQLUIWZZXGAV-ZBFHGGJFSA-N 0 0 333.432 1.872 10 0 EDAERN C[C@@H](CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)N1CCOCC1 ZINC000194141135 442850939 /nfs/dbraw/zinc/85/09/39/442850939.db2.gz VDJXKULZONYKHE-QWHCGFSZSA-N 0 0 337.386 1.098 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1C)[C@H]1CCCO1 ZINC000182964017 442856067 /nfs/dbraw/zinc/85/60/67/442856067.db2.gz UPVHCQFXMZCFLT-SMDDNHRTSA-N 0 0 334.420 1.700 10 0 EDAERN Nc1c(Cl)cc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1Cl ZINC000189051030 442867608 /nfs/dbraw/zinc/86/76/08/442867608.db2.gz WNJSFYODXZHIIS-UHFFFAOYSA-N 0 0 328.199 1.926 10 0 EDAERN COC(=O)COc1c(C)cc(CN2CCCNC(=O)[C@@H]2C)cc1C ZINC000189082841 442873353 /nfs/dbraw/zinc/87/33/53/442873353.db2.gz YWKBUTLHXWLXKA-AWEZNQCLSA-N 0 0 334.416 1.566 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000183112338 442882167 /nfs/dbraw/zinc/88/21/67/442882167.db2.gz TUXNWSSLULOEQN-KRWDZBQOSA-N 0 0 349.479 1.005 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N(CCO)CC(F)F)C(C)C ZINC000194363693 442883193 /nfs/dbraw/zinc/88/31/93/442883193.db2.gz LQUYKYQXLYKNNO-OAHLLOKOSA-N 0 0 342.386 1.835 10 0 EDAERN COCCN(C(C)=O)c1nc(CN[C@H](C)[C@H]2CCCO2)cs1 ZINC000183155083 442891060 /nfs/dbraw/zinc/89/10/60/442891060.db2.gz AVUQYPOFWNYNQX-BXUZGUMPSA-N 0 0 327.450 1.800 10 0 EDAERN CC(C)Cn1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000183153607 442891308 /nfs/dbraw/zinc/89/13/08/442891308.db2.gz DKDVDOGREPCVCW-HNNXBMFYSA-N 0 0 328.420 1.728 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@H](CC)N2CCCC2=O)C12CCOCC2 ZINC000248631523 442911795 /nfs/dbraw/zinc/91/17/95/442911795.db2.gz HSODJDKFGJXYPR-SOUVJXGZSA-N 0 0 338.448 1.478 10 0 EDAERN CCN(C(=O)CN1CCCNC(=O)[C@H]1C)c1nc2ccccc2s1 ZINC000189294589 442914244 /nfs/dbraw/zinc/91/42/44/442914244.db2.gz MWFNHTOWGDMSFK-GFCCVEGCSA-N 0 0 346.456 1.860 10 0 EDAERN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000182703931 318510662 /nfs/dbraw/zinc/51/06/62/318510662.db2.gz DFHKATDSRAHYGI-NHYWBVRUSA-N 0 0 328.372 1.786 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194617154 442925059 /nfs/dbraw/zinc/92/50/59/442925059.db2.gz LBNLUBMJVRPXRT-UAGQMJEPSA-N 0 0 347.459 1.278 10 0 EDAERN O=C(NCCNC(=O)c1ccc(F)cc1)N[C@@H]1COc2ccccc21 ZINC000194686339 442937534 /nfs/dbraw/zinc/93/75/34/442937534.db2.gz CWVPEJYGOKEFJM-OAHLLOKOSA-N 0 0 343.358 1.988 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCC(=O)NCC1CC1 ZINC000183778875 442964082 /nfs/dbraw/zinc/96/40/82/442964082.db2.gz IUDMFIMNIWTIFM-CQSZACIVSA-N 0 0 333.436 1.410 10 0 EDAERN CN(C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000249504525 442978924 /nfs/dbraw/zinc/97/89/24/442978924.db2.gz FXVHVAGNZDIMSF-GMTAPVOTSA-N 0 0 342.383 1.936 10 0 EDAERN CCOC(=O)[C@H](NC(=O)c1cnn(C)c1N)c1ccc(Cl)cc1 ZINC000194764029 442950453 /nfs/dbraw/zinc/95/04/53/442950453.db2.gz CBVSHNGUQIEEOG-GFCCVEGCSA-N 0 0 336.779 1.690 10 0 EDAERN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CNC(=O)C3)n2)cc1 ZINC000194764573 442951097 /nfs/dbraw/zinc/95/10/97/442951097.db2.gz XEXWTISAJBLZHC-NSHDSACASA-N 0 0 344.396 1.843 10 0 EDAERN CCCS(=O)(=O)CCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195511492 443025319 /nfs/dbraw/zinc/02/53/19/443025319.db2.gz YXLILVUVKHODHT-AWEZNQCLSA-N 0 0 340.493 1.966 10 0 EDAERN COc1c(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c(C)nn1C ZINC000189898006 443025789 /nfs/dbraw/zinc/02/57/89/443025789.db2.gz LIMOSBJTUKKDIR-UHFFFAOYSA-N 0 0 330.436 1.660 10 0 EDAERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000184496361 443029251 /nfs/dbraw/zinc/02/92/51/443029251.db2.gz NNCSRNAFMGEUBC-SJLPKXTDSA-N 0 0 346.475 1.627 10 0 EDAERN CCOCCN1CCN(C(=O)CCc2cccc3c2OCO3)C[C@H]1C ZINC000184564393 443040083 /nfs/dbraw/zinc/04/00/83/443040083.db2.gz DCPOJKFLDUTJJM-OAHLLOKOSA-N 0 0 348.443 1.917 10 0 EDAERN CN1CCC[C@H]1CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000253356326 443049990 /nfs/dbraw/zinc/04/99/90/443049990.db2.gz OYLKRPPQJNHTOT-JSGCOSHPSA-N 0 0 337.445 1.299 10 0 EDAERN O=C(NCc1ccnc(N2CCOCC2)n1)c1ccccc1Cl ZINC000224216231 443096814 /nfs/dbraw/zinc/09/68/14/443096814.db2.gz GREMFCIEHHJVTI-UHFFFAOYSA-N 0 0 332.791 1.897 10 0 EDAERN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2F)n1 ZINC000224176784 443096837 /nfs/dbraw/zinc/09/68/37/443096837.db2.gz JNEOMVLTMYKVPP-UHFFFAOYSA-N 0 0 330.363 1.691 10 0 EDAERN Cc1cnc(C(=O)N2C[C@@H](COc3ccccc3)[C@H](C(N)=O)C2)cn1 ZINC000253402427 443056659 /nfs/dbraw/zinc/05/66/59/443056659.db2.gz GICRVJVRXYLBQE-DZGCQCFKSA-N 0 0 340.383 1.038 10 0 EDAERN Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c(C)n1Cc1cccs1 ZINC000184716656 443064777 /nfs/dbraw/zinc/06/47/77/443064777.db2.gz GWCWIKYLNLGDQE-HUUCEWRRSA-N 0 0 348.468 1.825 10 0 EDAERN Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c(C)n1Cc1ccco1 ZINC000184740665 443069456 /nfs/dbraw/zinc/06/94/56/443069456.db2.gz WEHHMOIGDGIRNQ-HUUCEWRRSA-N 0 0 332.400 1.356 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(COC)cc2)CC1 ZINC000184825128 443082490 /nfs/dbraw/zinc/08/24/90/443082490.db2.gz ADYXQJKRQHNXJL-QGZVFWFLSA-N 0 0 335.448 1.431 10 0 EDAERN CCOCc1ccc(CNC(=O)N2CCN(C[C@@H](O)CC)CC2)cc1 ZINC000184826266 443082526 /nfs/dbraw/zinc/08/25/26/443082526.db2.gz VMJQVYVCLSUQHB-SFHVURJKSA-N 0 0 349.475 1.821 10 0 EDAERN O=C(NCC1CC(O)C1)c1cc(I)ccc1O ZINC000236475684 443139030 /nfs/dbraw/zinc/13/90/30/443139030.db2.gz IZUAJYCMWDHOQR-UHFFFAOYSA-N 0 0 347.152 1.498 10 0 EDAERN CCOC(=O)[C@@H](NC[C@@H]1CN(C)CCO1)c1cccc(Cl)c1 ZINC000190575529 443140269 /nfs/dbraw/zinc/14/02/69/443140269.db2.gz DDQSKGKZUKPLQS-CABCVRRESA-N 0 0 326.824 1.864 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)s1 ZINC000190590504 443143724 /nfs/dbraw/zinc/14/37/24/443143724.db2.gz XULCJFLVLQOBOL-GHMZBOCLSA-N 0 0 325.434 1.872 10 0 EDAERN O=C(NOC[C@@H]1CCOC1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000190424587 443106178 /nfs/dbraw/zinc/10/61/78/443106178.db2.gz DKMYYQJLKNQXBX-IFUGULHKSA-N 0 0 342.342 1.750 10 0 EDAERN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2CCCC[C@@H]2CO)n1 ZINC000190446619 443110635 /nfs/dbraw/zinc/11/06/35/443110635.db2.gz VCQISEWFXCEPDX-KGLIPLIRSA-N 0 0 344.419 1.952 10 0 EDAERN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H]2CCCC[C@H]2CO)n1 ZINC000190446636 443110857 /nfs/dbraw/zinc/11/08/57/443110857.db2.gz VCQISEWFXCEPDX-UONOGXRCSA-N 0 0 344.419 1.952 10 0 EDAERN CC1(Cn2cc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)nn2)COC1 ZINC000185149575 443147757 /nfs/dbraw/zinc/14/77/57/443147757.db2.gz GCYJEAPXUVVQIX-CXAGYDPISA-N 0 0 334.420 1.082 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(OCCC(C)C)cc2)C1 ZINC000185238697 443167534 /nfs/dbraw/zinc/16/75/34/443167534.db2.gz LAKMZTMMDQMUPB-UHFFFAOYSA-N 0 0 334.416 1.699 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCCOc2ccc(C)c(C)c2)C1 ZINC000185256043 443170943 /nfs/dbraw/zinc/17/09/43/443170943.db2.gz ZDAQGVNKUIFXHW-UHFFFAOYSA-N 0 0 334.416 1.436 10 0 EDAERN COCC(=O)NC1CN(C(=O)C2(c3cccc(OC)c3)CCCC2)C1 ZINC000185290123 443176979 /nfs/dbraw/zinc/17/69/79/443176979.db2.gz DPZBXSGUUUNEGV-UHFFFAOYSA-N 0 0 346.427 1.480 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)Nc3ccc(OC)cc3)CCO2)cn1 ZINC000190804042 443186259 /nfs/dbraw/zinc/18/62/59/443186259.db2.gz OLLGVJJUIBJZEE-KRWDZBQOSA-N 0 0 344.415 1.924 10 0 EDAERN CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCCO[C@@H]2C)ccc1C ZINC000190659370 443158330 /nfs/dbraw/zinc/15/83/30/443158330.db2.gz CZMVMMQYLGUEPF-YPMHNXCESA-N 0 0 326.418 1.657 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000191018828 443226180 /nfs/dbraw/zinc/22/61/80/443226180.db2.gz ILLBCSIILIBHFV-UHFFFAOYSA-N 0 0 337.424 1.073 10 0 EDAERN Cc1nc(C[C@H]2CCCN(Cc3nnnn3CC(F)(F)F)C2)no1 ZINC000190862495 443198816 /nfs/dbraw/zinc/19/88/16/443198816.db2.gz PRNBHQDDXOFJBF-SNVBAGLBSA-N 0 0 345.329 1.382 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](CCC(C)C)C(C)(C)C)C1 ZINC000185444628 443201130 /nfs/dbraw/zinc/20/11/30/443201130.db2.gz KMHMWPNDNHWWGM-CQSZACIVSA-N 0 0 327.469 1.994 10 0 EDAERN Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000185506650 443211274 /nfs/dbraw/zinc/21/12/74/443211274.db2.gz GFCLRWUZDDBGRR-YGRLFVJLSA-N 0 0 330.363 1.842 10 0 EDAERN Cc1ccc(-n2cc(NC(=O)C(=O)N3CCC[C@@H]3CO)cn2)c(C)c1 ZINC000190949842 443213405 /nfs/dbraw/zinc/21/34/05/443213405.db2.gz PKQHSJWQBAJWEJ-OAHLLOKOSA-N 0 0 342.399 1.411 10 0 EDAERN CCOCCONC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000185740769 443248917 /nfs/dbraw/zinc/24/89/17/443248917.db2.gz DKTBXCNTPGIDAR-UHFFFAOYSA-N 0 0 342.465 1.637 10 0 EDAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000191187683 443256020 /nfs/dbraw/zinc/25/60/20/443256020.db2.gz UFLYWQGGXVQSNJ-RISCZKNCSA-N 0 0 329.400 1.598 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCc2cccc(CO)c2)C12CCOCC2 ZINC000185907920 443280971 /nfs/dbraw/zinc/28/09/71/443280971.db2.gz YKZZYTGMRIYVCT-IRXDYDNUSA-N 0 0 348.443 1.952 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000191338200 443281039 /nfs/dbraw/zinc/28/10/39/443281039.db2.gz MYBWJGKSDSJPNI-BDAKNGLRSA-N 0 0 329.194 1.901 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)[C@H]3CC(c4cccnc4)=NO3)C2)c1 ZINC000191349006 443283176 /nfs/dbraw/zinc/28/31/76/443283176.db2.gz DZRIBYZYGPNSND-DOTOQJQBSA-N 0 0 339.399 1.943 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(Br)cc1 ZINC000191372512 443286035 /nfs/dbraw/zinc/28/60/35/443286035.db2.gz YWBGLPGULQUFCQ-JTQLQIEISA-N 0 0 340.221 1.869 10 0 EDAERN CCCCn1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)n1 ZINC000185936214 443287009 /nfs/dbraw/zinc/28/70/09/443287009.db2.gz ZZNNIQSKYAJFDY-RHSMWYFYSA-N 0 0 334.464 1.784 10 0 EDAERN CCNc1ccc(Cl)cc1C(=O)N1CC(NC(=O)COC)C1 ZINC000191382234 443287332 /nfs/dbraw/zinc/28/73/32/443287332.db2.gz ITKMDERRCLNBBE-UHFFFAOYSA-N 0 0 325.796 1.359 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000246025607 443263229 /nfs/dbraw/zinc/26/32/29/443263229.db2.gz NCGBTZOSUXGENN-KKUMJFAQSA-N 0 0 338.398 1.983 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CN(C)Cc3ccccc3)CCO2)o1 ZINC000328613175 444393881 /nfs/dbraw/zinc/39/38/81/444393881.db2.gz QYUQKYMHCGJISS-HNNXBMFYSA-N 0 0 330.388 1.410 10 0 EDAERN CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000328615744 444394595 /nfs/dbraw/zinc/39/45/95/444394595.db2.gz ZAANSPMSIDZMIM-ZDUSSCGKSA-N 0 0 343.430 1.537 10 0 EDAERN Cc1nscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328625865 444400266 /nfs/dbraw/zinc/40/02/66/444400266.db2.gz DOSUAIQDYAXUMW-KBPBESRZSA-N 0 0 349.435 1.926 10 0 EDAERN COC(=O)N1CC[C@@]23c4c5c(OC)ccc4C[C@@H]1[C@@H]2C=C[C@@H](O)[C@H]3O5 ZINC000575627169 447876457 /nfs/dbraw/zinc/87/64/57/447876457.db2.gz ILZZMMLYELRJKX-FRPDMPBLSA-N 0 0 343.379 1.638 10 0 EDAERN Cc1cc(C(F)(F)F)nc(N2CCC[C@](O)(c3cn[nH]n3)C2)n1 ZINC000583616681 448444079 /nfs/dbraw/zinc/44/40/79/448444079.db2.gz BFWWTSNQZLBTMM-GFCCVEGCSA-N 0 0 328.298 1.410 10 0 EDAERN CCc1ccnc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583618088 448447393 /nfs/dbraw/zinc/44/73/93/448447393.db2.gz BPYYOUARCRPSQM-KRWDZBQOSA-N 0 0 329.404 1.550 10 0 EDAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)c1cc(Cl)c[nH]1 ZINC000583623138 448453221 /nfs/dbraw/zinc/45/32/21/448453221.db2.gz PJZMQQRYMKVOEJ-STQMWFEESA-N 0 0 337.786 1.801 10 0 EDAERN NC(=O)[C@H]1COCCN1Cc1ccc(Br)c(F)c1F ZINC000528428347 448524304 /nfs/dbraw/zinc/52/43/04/448524304.db2.gz DOYLIPAZVJTXSG-SECBINFHSA-N 0 0 335.148 1.413 10 0 EDAERN CCOC(=O)[C@H](O)/C(=C\c1cccc(Br)c1)[N+](=O)[O-] ZINC000584604595 448583367 /nfs/dbraw/zinc/58/33/67/448583367.db2.gz ZHPBXDHPOUYGKL-PFEDMVJOSA-N 0 0 330.134 1.991 10 0 EDAERN CC(=O)NC(=O)c1ccc(-c2ncccc2Br)[nH]c1=O ZINC000584613145 448585211 /nfs/dbraw/zinc/58/52/11/448585211.db2.gz GFZJWPRJVVBIKK-UHFFFAOYSA-N 0 0 336.145 1.888 10 0 EDAERN COC(=O)[C@H](Cc1ccccc1)N1C[C@H](Cc2c[nH]cn2)NC1=O ZINC000584652550 448590326 /nfs/dbraw/zinc/59/03/26/448590326.db2.gz DMFSSIWDIAQJTQ-GJZGRUSLSA-N 0 0 328.372 1.130 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2oc(C)nc2C)[C@@H]1c1cnn(C)c1 ZINC000618144723 450025704 /nfs/dbraw/zinc/02/57/04/450025704.db2.gz NIUFUVLCCYGBJE-GJZGRUSLSA-N 0 0 347.419 1.217 10 0 EDAERN CN1C[C@@H](CNC(=O)c2ccc(Br)c(O)c2)CC1=O ZINC000618999677 450370743 /nfs/dbraw/zinc/37/07/43/450370743.db2.gz CREJBGPUOKPFNQ-MRVPVSSYSA-N 0 0 327.178 1.363 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@H]1c1ccccc1CO ZINC000616601410 450454806 /nfs/dbraw/zinc/45/48/06/450454806.db2.gz CGYSEGRJXLNILD-KRWDZBQOSA-N 0 0 333.409 1.941 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1ccccc1C(N)=O ZINC000616639719 450456707 /nfs/dbraw/zinc/45/67/07/450456707.db2.gz NSZRSPLFCGFOCR-OAHLLOKOSA-N 0 0 349.431 1.684 10 0 EDAERN NS(=O)(=O)N1CC[C@H](c2ccc(CCO)cc2)c2ccccc21 ZINC000616674198 450458712 /nfs/dbraw/zinc/45/87/12/450458712.db2.gz BASNEYYZOCLBBJ-OAHLLOKOSA-N 0 0 332.425 1.767 10 0 EDAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2ccoc2)CCC(=O)N1C1CC1 ZINC000621006225 450571989 /nfs/dbraw/zinc/57/19/89/450571989.db2.gz RIONJYFGWIUWEY-WBMJQRKESA-N 0 0 342.399 1.885 10 0 EDAERN Cc1ccc(F)c(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N)n3)C2)c1 ZINC000630720358 451359490 /nfs/dbraw/zinc/35/94/90/451359490.db2.gz FSEMTXJFCTVYOJ-LLVKDONJSA-N 0 0 330.363 1.771 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCCN(c2ccccc2)CC1 ZINC000644319774 453295861 /nfs/dbraw/zinc/29/58/61/453295861.db2.gz OBMUCRRWPZUFFY-KRWDZBQOSA-N 0 0 345.443 1.099 10 0 EDAERN COc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@H]1CN(C)CCO1 ZINC000074775102 486798784 /nfs/dbraw/zinc/79/87/84/486798784.db2.gz QDCKWFSVKIKPIM-GFCCVEGCSA-N 0 0 348.852 1.300 10 0 EDAERN Cc1ccc(Cl)cc1-n1nc(-c2ccnc(N)n2)cc1C(N)=O ZINC000203779998 485765885 /nfs/dbraw/zinc/76/58/85/485765885.db2.gz MGCJYRVJINHYAP-UHFFFAOYSA-N 0 0 328.763 1.972 10 0 EDAERN CC(C)CO[C@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000126625981 491015405 /nfs/dbraw/zinc/01/54/05/491015405.db2.gz QFMHUAPPQDAOAT-KBPBESRZSA-N 0 0 344.411 1.945 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000189887076 500585649 /nfs/dbraw/zinc/58/56/49/500585649.db2.gz BSPNSDPUFFTYOV-OLXJLDBKSA-N 0 0 328.771 1.638 10 0 EDAERN COc1cc(CCNC(=O)NC[C@H](C)N2CCOCC2)ccc1C ZINC000154451949 533760663 /nfs/dbraw/zinc/76/06/63/533760663.db2.gz VPPVJCCESZGFIP-HNNXBMFYSA-N 0 0 335.448 1.566 10 0 EDAERN COc1ccc(C[C@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000134089761 533784050 /nfs/dbraw/zinc/78/40/50/533784050.db2.gz WUHUTDOCDQXOQK-ZFWWWQNUSA-N 0 0 343.431 1.780 10 0 EDAERN COC(=O)N(C)CCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000171485567 533884693 /nfs/dbraw/zinc/88/46/93/533884693.db2.gz JKYJPHWPLKCQQS-LBPRGKRZSA-N 0 0 337.424 1.311 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3cc(C)ccn3)C2=O)n(C)n1 ZINC000184192670 533896638 /nfs/dbraw/zinc/89/66/38/533896638.db2.gz FFGQPRXXANDCJP-ZDUSSCGKSA-N 0 0 342.403 1.749 10 0 EDAERN C[C@@H](CNC(=O)N1CC[C@@H](Cc2ccccc2)C1)N1CCOCC1 ZINC000175008640 533935138 /nfs/dbraw/zinc/93/51/38/533935138.db2.gz SZIUCTMZGJRDGH-WMZOPIPTSA-N 0 0 331.460 1.981 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)CCN1C ZINC000165952010 533969157 /nfs/dbraw/zinc/96/91/57/533969157.db2.gz QSYPONIWUJTNMS-QMMMGPOBSA-N 0 0 338.260 1.900 10 0 EDAERN COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000158536652 534045305 /nfs/dbraw/zinc/04/53/05/534045305.db2.gz ANIBUPJQDNBJDC-GWCFXTLKSA-N 0 0 340.807 1.954 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)ccc2c1)[S@@](C)=O ZINC000165202140 534075530 /nfs/dbraw/zinc/07/55/30/534075530.db2.gz SRKIOENXFPCFBK-LXGOIASLSA-N 0 0 346.861 1.934 10 0 EDAERN O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000158287847 534464524 /nfs/dbraw/zinc/46/45/24/534464524.db2.gz QLQYVKYBZNSZHO-ONGXEEELSA-N 0 0 348.325 1.051 10 0 EDAERN NC(=O)c1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000187712183 534477261 /nfs/dbraw/zinc/47/72/61/534477261.db2.gz SWFRLQQAYCGLTR-GJZGRUSLSA-N 0 0 330.409 1.695 10 0 EDAERN Ic1nc([C@@H]2CN3CCC[C@@H]3CO2)ns1 ZINC000166062965 534542653 /nfs/dbraw/zinc/54/26/53/534542653.db2.gz ANTQYHVXVCLHRZ-RQJHMYQMSA-N 0 0 337.186 1.678 10 0 EDAERN CN1CCO[C@@H](CNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000245769333 536435549 /nfs/dbraw/zinc/43/55/49/536435549.db2.gz KCTRVTVGWYRKOU-STQMWFEESA-N 0 0 333.215 1.474 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)CCn1cncn1 ZINC000174214579 526475067 /nfs/dbraw/zinc/47/50/67/526475067.db2.gz KBQRIOIXPNWTAH-CHWSQXEVSA-N 0 0 337.424 1.478 10 0 EDAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cnn2ccncc12 ZINC000188708996 526537483 /nfs/dbraw/zinc/53/74/83/526537483.db2.gz SVUZFRTXUDCALX-JTQLQIEISA-N 0 0 327.310 1.343 10 0 EDAERN CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187662019 526595956 /nfs/dbraw/zinc/59/59/56/526595956.db2.gz CCSMITYWHYMYMY-STQMWFEESA-N 0 0 345.486 1.496 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCOc2ccc3ccccc3c2)C1 ZINC000189736015 526708534 /nfs/dbraw/zinc/70/85/34/526708534.db2.gz LDENKRHZAOUIFO-UHFFFAOYSA-N 0 0 327.384 1.749 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2-c2nc(C)no2)C1 ZINC000172825986 526899929 /nfs/dbraw/zinc/89/99/29/526899929.db2.gz QMJWMKREZOJIQR-ZDUSSCGKSA-N 0 0 328.372 1.786 10 0 EDAERN CC(C)C(=O)N1CCC(NC(=O)N2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000171456160 527463766 /nfs/dbraw/zinc/46/37/66/527463766.db2.gz FTEJDYCOYJVECZ-INIZCTEOSA-N 0 0 347.463 1.914 10 0 EDAERN CC(C)C(=O)N1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CO)CC1 ZINC000175924200 527465839 /nfs/dbraw/zinc/46/58/39/527465839.db2.gz LAURNMCBFFCTNE-HIFRSBDPSA-N 0 0 325.453 1.484 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2ccc(N)c(Br)c2)C1 ZINC000166003175 527732996 /nfs/dbraw/zinc/73/29/96/527732996.db2.gz IWTAKFPYCSJFHV-NSHDSACASA-N 0 0 342.237 1.482 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2nc3ccccn3n2)C12CCOCC2 ZINC000184615794 527822857 /nfs/dbraw/zinc/82/28/57/527822857.db2.gz VYEFLJGGUIFQNK-CHWSQXEVSA-N 0 0 345.403 1.825 10 0 EDAERN CC(C)Oc1cc(CNC(=O)N2CC(NC(=O)C3CC3)C2)ccn1 ZINC000187687556 528108397 /nfs/dbraw/zinc/10/83/97/528108397.db2.gz LLALKYRQZMXCBA-UHFFFAOYSA-N 0 0 332.404 1.289 10 0 EDAERN CCNC(=O)[C@H]1COCCN1c1cc(Br)ccc1C=O ZINC000160003100 528223843 /nfs/dbraw/zinc/22/38/43/528223843.db2.gz NBYIFHZRMLQDER-CYBMUJFWSA-N 0 0 341.205 1.603 10 0 EDAERN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130708692 528249390 /nfs/dbraw/zinc/24/93/90/528249390.db2.gz FEIRVPPMKFZSHI-KBPBESRZSA-N 0 0 334.416 2.000 10 0 EDAERN CC1CCN(c2ccc(C(=O)NC[C@@H]3CN(C)CCO3)cn2)CC1 ZINC000171403956 528263277 /nfs/dbraw/zinc/26/32/77/528263277.db2.gz MQXMFVYOWHVTJF-MRXNPFEDSA-N 0 0 332.448 1.378 10 0 EDAERN CCCNC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171792249 528400593 /nfs/dbraw/zinc/40/05/93/528400593.db2.gz JDSDFPCHNCFWEW-YOEHRIQHSA-N 0 0 331.416 1.239 10 0 EDAERN CCC[C@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168907434 528437011 /nfs/dbraw/zinc/43/70/11/528437011.db2.gz GNXBOSPDULRIFX-LLVKDONJSA-N 0 0 326.194 1.471 10 0 EDAERN CCC[C@H]1NC(=O)[C@@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168883292 528439261 /nfs/dbraw/zinc/43/92/61/528439261.db2.gz PNVPBQYUBZNABZ-BXKDBHETSA-N 0 0 340.221 1.860 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000184369015 528482411 /nfs/dbraw/zinc/48/24/11/528482411.db2.gz BLTWKSXCUCJSQX-HNNXBMFYSA-N 0 0 334.420 1.027 10 0 EDAERN CCCNc1ncc(S(=O)(=O)N2CC[C@H](CO)C2)cc1Cl ZINC000168451879 528573698 /nfs/dbraw/zinc/57/36/98/528573698.db2.gz KEHQRJXQCFZVDU-JTQLQIEISA-N 0 0 333.841 1.560 10 0 EDAERN CCCNc1ncc(S(=O)(=O)NCC[S@](C)=O)cc1Cl ZINC000159071863 528574446 /nfs/dbraw/zinc/57/44/46/528574446.db2.gz ORVVBCIYWAPUGN-LJQANCHMSA-N 0 0 339.870 1.214 10 0 EDAERN CC(C)n1ncc(N[C@@H](C)C[S@](C)=O)c(Br)c1=O ZINC000158729934 528652884 /nfs/dbraw/zinc/65/28/84/528652884.db2.gz FPTQVYBYYNUSKW-DCXZOGHSSA-N 0 0 336.255 1.766 10 0 EDAERN CCCCOc1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cn1 ZINC000184318178 528680035 /nfs/dbraw/zinc/68/00/35/528680035.db2.gz RWEGPMBFWKSIKK-UHFFFAOYSA-N 0 0 345.403 1.520 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000176573674 528703452 /nfs/dbraw/zinc/70/34/52/528703452.db2.gz UHJYEZDYJMKZNX-HSZRJFAPSA-N 0 0 343.359 1.420 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N1CCc2ccccc21 ZINC000176564497 528703853 /nfs/dbraw/zinc/70/38/53/528703853.db2.gz LKJIJDITTJRLFU-QHCPKHFHSA-N 0 0 333.417 1.092 10 0 EDAERN CC(F)(F)c1cccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000187463985 528742070 /nfs/dbraw/zinc/74/20/70/528742070.db2.gz LIBAXOLCJKURRA-LBPRGKRZSA-N 0 0 349.341 1.980 10 0 EDAERN CC[N@H+](Cc1ccc(Br)cn1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000167709243 528770367 /nfs/dbraw/zinc/77/03/67/528770367.db2.gz KNJFJMIEBPCYKI-RYUDHWBXSA-N 0 0 329.194 1.766 10 0 EDAERN CC1(C)C(=O)N(Cc2ccc(Br)c(N)c2)S1(=O)=O ZINC000159386218 528862582 /nfs/dbraw/zinc/86/25/82/528862582.db2.gz SRAJSEUZEQOMTH-UHFFFAOYSA-N 0 0 333.207 1.482 10 0 EDAERN CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)CC1 ZINC000173460058 529229616 /nfs/dbraw/zinc/22/96/16/529229616.db2.gz KQMTVUWAEFEQGX-GDBMZVCRSA-N 0 0 347.459 1.605 10 0 EDAERN CC(C)c1nnc(CN2CCC[C@H](c3nnc4n3CCC4)C2)n1C ZINC000195520556 534972884 /nfs/dbraw/zinc/97/28/84/534972884.db2.gz DOYFWOQOPHHARS-ZDUSSCGKSA-N 0 0 329.452 1.856 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCOCC(F)(F)F)CC2 ZINC000195275875 535027072 /nfs/dbraw/zinc/02/70/72/535027072.db2.gz WUTKXUHKVOVEEP-SNVBAGLBSA-N 0 0 334.342 1.802 10 0 EDAERN CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3[C@H](C)CCC[C@@H]3C)[nH]c(=O)c21 ZINC000040382791 535393267 /nfs/dbraw/zinc/39/32/67/535393267.db2.gz TXYFOMUBONMHNN-OUAUKWLOSA-N 0 0 347.419 1.099 10 0 EDAERN CCOCCN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000247137705 535603099 /nfs/dbraw/zinc/60/30/99/535603099.db2.gz KUZAVJUYFKQSPQ-IXDOHACOSA-N 0 0 325.497 1.724 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)NCc2cccs2)C[C@H]1C ZINC000247190600 535608866 /nfs/dbraw/zinc/60/88/66/535608866.db2.gz OCLJSLDGVKSTAW-HUUCEWRRSA-N 0 0 339.505 1.795 10 0 EDAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1=O ZINC000081579191 535636591 /nfs/dbraw/zinc/63/65/91/535636591.db2.gz HNIHDKLNRQEZMH-FPMFFAJLSA-N 0 0 333.436 1.575 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000248878483 535972255 /nfs/dbraw/zinc/97/22/55/535972255.db2.gz DPHCYXSZCQMBLR-LZWOXQAQSA-N 0 0 347.459 1.814 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N(C)[C@H](C)CC(C)C ZINC000091049905 535977083 /nfs/dbraw/zinc/97/70/83/535977083.db2.gz ZBWPPDZJVBFCAA-GFCCVEGCSA-N 0 0 344.481 1.414 10 0 EDAERN CN1CCO[C@@H](CNC(=O)CCCOc2ccccc2Cl)C1 ZINC000051469986 536434373 /nfs/dbraw/zinc/43/43/73/536434373.db2.gz RLIMUGNLUIWJRO-ZDUSSCGKSA-N 0 0 326.824 1.946 10 0 EDAERN COCCN1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C[C@H]1C ZINC000246921529 536864997 /nfs/dbraw/zinc/86/49/97/536864997.db2.gz BHSIKJRFSBVSRB-QAPCUYQASA-N 0 0 332.444 1.870 10 0 EDAERN COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@H](O)O[C@@H]1O2 ZINC000006017711 560109257 /nfs/dbraw/zinc/10/92/57/560109257.db2.gz PFQSKXVNBUHPIW-AUWAXLAASA-N 0 0 330.292 1.471 10 0 endogenous,in-man EDAERN C[C@@H]1C(=O)c2cc(O)c3c(c2[C@@H](O)[C@H]1O)C(=O)c1cccc(O)c1-3 ZINC000000020083 560176816 /nfs/dbraw/zinc/17/68/16/560176816.db2.gz PLKATXVLQJQTSA-NXHZVELASA-N 0 0 326.304 1.536 10 0 in-vitro EDAERN CO[C@H]1CCCCN(CC(=O)N2CCC(c3ncc[nH]3)CC2)C1=O ZINC000888076156 590929503 /nfs/dbraw/zinc/92/95/03/590929503.db2.gz BMQMKQIHZJCZRE-AWEZNQCLSA-N 0 0 334.420 1.143 10 0 EDAERN Nc1ccc([C@@H]2CCCN2C(=O)c2cccc3c2OCCO3)nn1 ZINC000888077057 590932147 /nfs/dbraw/zinc/93/21/47/590932147.db2.gz GTPPVVNZJIUNOU-ZDUSSCGKSA-N 0 0 326.356 1.807 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000888077761 590934252 /nfs/dbraw/zinc/93/42/52/590934252.db2.gz TWSZKBBNVOGQLU-HZPDHXFCSA-N 0 0 346.406 1.969 10 0 EDAERN CCc1cc(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)c(C)nn1 ZINC000888094861 591025017 /nfs/dbraw/zinc/02/50/17/591025017.db2.gz GKCXHTRLAACXDU-JKSUJKDBSA-N 0 0 329.404 1.811 10 0 EDAERN O=C(NC[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O)c1cccc(F)c1Cl ZINC000888095317 591025982 /nfs/dbraw/zinc/02/59/82/591025982.db2.gz OZBZZDPNYAGMCF-PTRXPTGYSA-N 0 0 338.770 1.882 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CNCC(F)(F)F)C1 ZINC000888103081 591031495 /nfs/dbraw/zinc/03/14/95/591031495.db2.gz FJJBRKSEXIJSKH-MNOVXSKESA-N 0 0 334.342 1.467 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)[C@H]1Cn2c(C)nnc2CN1 ZINC000818117235 593670314 /nfs/dbraw/zinc/67/03/14/593670314.db2.gz AGQATQQYPBKUMX-GFCCVEGCSA-N 0 0 335.795 1.037 10 0 EDAERN O=C(CCn1cccn1)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818494454 593701130 /nfs/dbraw/zinc/70/11/30/593701130.db2.gz GEOFVVCCHOGTIL-KRWDZBQOSA-N 0 0 345.403 1.130 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000105838742 595470006 /nfs/dbraw/zinc/47/00/06/595470006.db2.gz IWBDBFDEXBCQFH-LBPRGKRZSA-N 0 0 340.855 1.317 10 0 EDAERN COCCN1CCN(C(=O)COc2ccc3c(c2)CCC3)C[C@H]1C ZINC000117288075 595615592 /nfs/dbraw/zinc/61/55/92/595615592.db2.gz DZQPWXNUXXVGCT-OAHLLOKOSA-N 0 0 332.444 1.733 10 0 EDAERN CN(C)c1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)ccn1 ZINC000858008068 595684548 /nfs/dbraw/zinc/68/45/48/595684548.db2.gz HRLKFRHRMOCQLG-GOEBONIOSA-N 0 0 343.431 1.779 10 0 EDAERN CCc1noc([C@H](C)N2CCN(CN3C(=O)CC(C)(C)C3=O)CC2)n1 ZINC000112070721 596016699 /nfs/dbraw/zinc/01/66/99/596016699.db2.gz DZBGEWGWEBVUFV-LBPRGKRZSA-N 0 0 349.435 1.053 10 0 EDAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112664635 596204931 /nfs/dbraw/zinc/20/49/31/596204931.db2.gz JCFNHDLZVOACDT-CQSZACIVSA-N 0 0 336.461 1.350 10 0 EDAERN Cc1ccccc1-n1cnn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1=S ZINC000120295558 596419446 /nfs/dbraw/zinc/41/94/46/596419446.db2.gz RPHJBZKTQLHRDI-TZMCWYRMSA-N 0 0 347.444 1.244 10 0 EDAERN C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccccc1Cl ZINC000126671342 597548693 /nfs/dbraw/zinc/54/86/93/597548693.db2.gz KOHXKMGYAWHKFU-GHMZBOCLSA-N 0 0 330.837 1.294 10 0 EDAERN C[C@H]1C[C@@H](C(=O)OCCN(C)S(=O)(=O)N(C)C)CC(C)(C)C1 ZINC000183226781 701551972 /nfs/dbraw/zinc/55/19/72/701551972.db2.gz ZOTCWHQYWDSNJH-QWHCGFSZSA-N 0 0 334.482 1.730 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCC2(CO)CCC2)C1 ZINC000183226946 701551986 /nfs/dbraw/zinc/55/19/86/701551986.db2.gz GTMFDCHFZDSCNZ-CHWSQXEVSA-N 0 0 326.437 1.959 10 0 EDAERN CO[C@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000050373823 214054371 /nfs/dbraw/zinc/05/43/71/214054371.db2.gz WLWJSHJNNYWYIW-SFYZADRCSA-N 0 0 335.838 1.895 10 0 EDAERN CCCNc1ncc(Br)cc1C(=O)NCC(=O)NCC ZINC000050751306 214068020 /nfs/dbraw/zinc/06/80/20/214068020.db2.gz RCJQUSQRNSIFKR-UHFFFAOYSA-N 0 0 343.225 1.532 10 0 EDAERN COc1cc(Br)c(OC)c(C(=O)N2CC[C@@H](CO)C2)c1 ZINC000051884738 214106244 /nfs/dbraw/zinc/10/62/44/214106244.db2.gz PLOATUYNQOUENH-SECBINFHSA-N 0 0 344.205 1.921 10 0 EDAERN O=C(Cn1cc(CO)nn1)Nc1ccc(Br)cc1Cl ZINC000052222393 214122846 /nfs/dbraw/zinc/12/28/46/214122846.db2.gz MJJPCFIXNRLXJB-UHFFFAOYSA-N 0 0 345.584 1.825 10 0 EDAERN Cc1cc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)no1 ZINC000052551595 214134033 /nfs/dbraw/zinc/13/40/33/214134033.db2.gz GVTXMDAOIKGNFV-UHFFFAOYSA-N 0 0 342.355 1.478 10 0 EDAERN Nc1cc(S(=O)(=O)N2CCC[C@@H]2CCCO)c(Cl)cc1F ZINC000052759523 214143190 /nfs/dbraw/zinc/14/31/90/214143190.db2.gz AGUNLMAXOKXIDE-SECBINFHSA-N 0 0 336.816 1.987 10 0 EDAERN CC(=O)N1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000053355925 214178882 /nfs/dbraw/zinc/17/88/82/214178882.db2.gz KQDDMMFFPXYHDH-CYBMUJFWSA-N 0 0 332.404 1.277 10 0 EDAERN O=S1(=O)CCN(CC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000053972917 214208937 /nfs/dbraw/zinc/20/89/37/214208937.db2.gz JZMGDHNFTBQBMT-CYBMUJFWSA-N 0 0 348.262 1.603 10 0 EDAERN O=S1CCN(CC[C@H](O)c2ccccc2Br)CC1 ZINC000054025187 214210950 /nfs/dbraw/zinc/21/09/50/214210950.db2.gz KZDALFUTFSOKIO-ZDUSSCGKSA-N 0 0 332.263 1.937 10 0 EDAERN Cc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173875731 231057157 /nfs/dbraw/zinc/05/71/57/231057157.db2.gz RBQGPXGJORNUQP-PWSUYJOCSA-N 0 0 326.828 1.175 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(NC=O)cc3)CC2)n1 ZINC000174770811 231305726 /nfs/dbraw/zinc/30/57/26/231305726.db2.gz CKTASDCGBRUHEM-LBPRGKRZSA-N 0 0 343.387 1.465 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3cccc(C)c3)C2=O)n(C)n1 ZINC000175017996 231367881 /nfs/dbraw/zinc/36/78/81/231367881.db2.gz JIRXSRASWLSXTC-MRXNPFEDSA-N 0 0 340.427 1.891 10 0 EDAERN O=C1Nc2ccccc2O[C@H]1CCNS(=O)(=O)c1ccccc1 ZINC000049739897 214030991 /nfs/dbraw/zinc/03/09/91/214030991.db2.gz YTSCEPUPEXEWBX-HNNXBMFYSA-N 0 0 332.381 1.755 10 0 EDAERN COc1ccc(C(=O)NC[C@H]2Oc3ccccc3NC2=O)cc1OC ZINC000049738975 214030416 /nfs/dbraw/zinc/03/04/16/214030416.db2.gz WNPRVCJFCSRTEU-MRXNPFEDSA-N 0 0 342.351 1.833 10 0 EDAERN CC[C@H]1CCCCN1C(=O)c1cnn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000049658243 214025152 /nfs/dbraw/zinc/02/51/52/214025152.db2.gz ZEKHMVMVQANNLS-UONOGXRCSA-N 0 0 339.461 1.956 10 0 EDAERN Cc1ncn2ccnc(N3CC(=O)N(CCc4ccccc4)C(=O)C3)c12 ZINC000065240104 282225268 /nfs/dbraw/zinc/22/52/68/282225268.db2.gz QKKZWYLDFPONRR-UHFFFAOYSA-N 0 0 349.394 1.456 10 0 EDAERN O=C(Nc1ccc(-n2ccnn2)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000175952442 231542835 /nfs/dbraw/zinc/54/28/35/231542835.db2.gz GXIFBOHOVHDKOX-HNNXBMFYSA-N 0 0 338.375 1.728 10 0 EDAERN CC[C@H](O)CN(Cc1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000183774631 529695151 /nfs/dbraw/zinc/69/51/51/529695151.db2.gz NCBIEHQUUUDQAW-INIZCTEOSA-N 0 0 333.432 1.495 10 0 EDAERN Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093885377 282238055 /nfs/dbraw/zinc/23/80/55/282238055.db2.gz QZHGFEZGRGTBRX-ZBFHGGJFSA-N 0 0 346.818 1.972 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](Oc2ccc(OC)cc2Br)CN1 ZINC000098089238 219082420 /nfs/dbraw/zinc/08/24/20/219082420.db2.gz DNFAPEBPCQRHKT-KOLCDFICSA-N 0 0 330.178 1.740 10 0 EDAERN Cn1c(SCCC(=O)Nc2ccc(Cl)cc2N)n[nH]c1=O ZINC000061592430 214666759 /nfs/dbraw/zinc/66/67/59/214666759.db2.gz UOPQOLMAJWCIGR-UHFFFAOYSA-N 0 0 327.797 1.465 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCc1cnn(C)c1 ZINC000154948442 529749822 /nfs/dbraw/zinc/74/98/22/529749822.db2.gz LEBZCDPLWHXUCK-ZDUSSCGKSA-N 0 0 331.424 1.341 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc2c1OCO2 ZINC000153434717 529749835 /nfs/dbraw/zinc/74/98/35/529749835.db2.gz AATHYGITSHCHNF-LBPRGKRZSA-N 0 0 343.387 1.904 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCC(=O)OC(C)(C)C)CC2 ZINC000174969366 529750878 /nfs/dbraw/zinc/75/08/78/529750878.db2.gz WXZJBUAGOATXSW-NSHDSACASA-N 0 0 337.424 1.186 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000180392255 529767872 /nfs/dbraw/zinc/76/78/72/529767872.db2.gz AHTDSCRJTLFZFK-HNNXBMFYSA-N 0 0 346.435 1.771 10 0 EDAERN CN(CC1(O)CCCC1)S(=O)(=O)c1cccc(C(N)=S)c1 ZINC000161631169 529856465 /nfs/dbraw/zinc/85/64/65/529856465.db2.gz CRKKLHINZPSHTR-UHFFFAOYSA-N 0 0 328.459 1.246 10 0 EDAERN CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633448 231944170 /nfs/dbraw/zinc/94/41/70/231944170.db2.gz IGDKURPYQZBSIR-SNVBAGLBSA-N 0 0 331.401 1.070 10 0 EDAERN CCC1(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)CCC1 ZINC000126230268 222672124 /nfs/dbraw/zinc/67/21/24/222672124.db2.gz QHQNXWHTDQTQKB-LLVKDONJSA-N 0 0 335.429 1.563 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CCC(Cn2cccn2)CC1 ZINC000126258030 222676888 /nfs/dbraw/zinc/67/68/88/222676888.db2.gz HEDBKLPTSAZQAN-UHFFFAOYSA-N 0 0 347.463 1.754 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2cccc(C(N)=O)c2)C1 ZINC000101789191 219164986 /nfs/dbraw/zinc/16/49/86/219164986.db2.gz GSXUCTQWVPRVEL-OAHLLOKOSA-N 0 0 346.431 1.376 10 0 EDAERN Cc1sc(=O)n(CCC(=O)N2CCC[C@H](Cn3cncn3)C2)c1C ZINC000126741132 222744229 /nfs/dbraw/zinc/74/42/29/222744229.db2.gz HKXAZDIWBPPZBN-AWEZNQCLSA-N 0 0 349.460 1.447 10 0 EDAERN CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C ZINC000003871658 210082289 /nfs/dbraw/zinc/08/22/89/210082289.db2.gz AVDLWYHBABSSHC-CHWSQXEVSA-N 0 0 329.441 1.260 10 0 in-vivo EDAERN O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CCC=C(c2ccco2)C1 ZINC000685943925 539583729 /nfs/dbraw/zinc/58/37/29/539583729.db2.gz MOKFOYRMGOLZOZ-AWEZNQCLSA-N 0 0 343.383 1.764 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)N2CCC(C)(O)CC2)[C@@H]1c1ccccc1 ZINC000177780354 282607134 /nfs/dbraw/zinc/60/71/34/282607134.db2.gz SHCGHVAUHWKBDC-WBVHZDCISA-N 0 0 330.428 1.970 10 0 EDAERN Cc1nc[nH]c1CN1CC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000067805312 215218153 /nfs/dbraw/zinc/21/81/53/215218153.db2.gz MGUVDHZMPAPEDG-LBPRGKRZSA-N 0 0 340.474 1.580 10 0 EDAERN c1cnn(C[C@@H]2CN(Cc3cnc(N4CCOCC4)s3)CCO2)c1 ZINC000179532711 233142976 /nfs/dbraw/zinc/14/29/76/233142976.db2.gz WGTNUCVUNCXRQT-AWEZNQCLSA-N 0 0 349.460 1.077 10 0 EDAERN COc1ccc(CCNC(=O)CCS(=O)(=O)N2CCCC2)cc1 ZINC000041225775 213433062 /nfs/dbraw/zinc/43/30/62/213433062.db2.gz GZQBBDFTVPGXLU-UHFFFAOYSA-N 0 0 340.445 1.170 10 0 EDAERN CCN[C@@](C)(C[C@H](C)SCCS(C)(=O)=O)C(=O)OCC ZINC000068643651 215324610 /nfs/dbraw/zinc/32/46/10/215324610.db2.gz QMHVGZSCEJZYSC-AAEUAGOBSA-N 0 0 325.496 1.474 10 0 EDAERN CCCC(=O)Oc1ccc2cc(C(=O)NCCOC)c(=O)oc2c1 ZINC000040891014 213397527 /nfs/dbraw/zinc/39/75/27/213397527.db2.gz FGWIBOUZWRRDMS-UHFFFAOYSA-N 0 0 333.340 1.875 10 0 EDAERN Cc1n[nH]cc1S(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000040826548 213391363 /nfs/dbraw/zinc/39/13/63/213391363.db2.gz ADCRRTPYAGXNIE-UHFFFAOYSA-N 0 0 326.765 1.667 10 0 EDAERN O=S1(=O)CCC[C@H](Nc2cccc(Cl)c2-n2cncn2)C1 ZINC000069136455 215363262 /nfs/dbraw/zinc/36/32/62/215363262.db2.gz JNYAQEUWIICUQY-JTQLQIEISA-N 0 0 326.809 1.910 10 0 EDAERN COc1ccc(NC(=O)NC2CC2)cc1N1CCCS1(=O)=O ZINC000040655082 213365335 /nfs/dbraw/zinc/36/53/35/213365335.db2.gz DVJYMPBKAFBEOV-UHFFFAOYSA-N 0 0 325.390 1.519 10 0 EDAERN CC(=O)N1CCc2cc(S(=O)(=O)N3[C@H](C)COC[C@@H]3C)ccc21 ZINC000040635223 213362574 /nfs/dbraw/zinc/36/25/74/213362574.db2.gz UEGQFLNZKZWIPU-TXEJJXNPSA-N 0 0 338.429 1.394 10 0 EDAERN Cc1ncc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(C)n1 ZINC000180922550 234031561 /nfs/dbraw/zinc/03/15/61/234031561.db2.gz MCVFCPUFJBXXTH-CQSZACIVSA-N 0 0 326.404 1.624 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000181041435 234068383 /nfs/dbraw/zinc/06/83/83/234068383.db2.gz FPTZRYYNGOPXBL-NWDGAFQWSA-N 0 0 343.387 1.078 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1F ZINC000181428040 234182593 /nfs/dbraw/zinc/18/25/93/234182593.db2.gz FBNVKSUMUPXUJG-ZDUSSCGKSA-N 0 0 338.408 1.827 10 0 EDAERN Cc1c(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cnn1C ZINC000181677795 234281092 /nfs/dbraw/zinc/28/10/92/234281092.db2.gz ZQLBCNADYZXAGX-CYBMUJFWSA-N 0 0 331.424 1.258 10 0 EDAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000181892584 234370282 /nfs/dbraw/zinc/37/02/82/234370282.db2.gz QVDKAIIKOWZBNB-CABCVRRESA-N 0 0 328.372 1.435 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000040431580 213303754 /nfs/dbraw/zinc/30/37/54/213303754.db2.gz GZZWKDQGIWILBD-ZETCQYMHSA-N 0 0 330.353 1.708 10 0 EDAERN Cc1ccsc1C(=O)NCCc1ccc(S(N)(=O)=O)s1 ZINC000040222447 213283027 /nfs/dbraw/zinc/28/30/27/213283027.db2.gz IXUPEUCJQCQLOW-UHFFFAOYSA-N 0 0 330.456 1.738 10 0 EDAERN O=C(Cn1cnc2sc3c(c2c1=O)CCC3)Nc1ccccn1 ZINC000031848620 212752925 /nfs/dbraw/zinc/75/29/25/212752925.db2.gz YSKCIOIDZPBWCD-UHFFFAOYSA-N 0 0 326.381 1.980 10 0 EDAERN COc1cc(CCNC(=O)N[C@@H]2CCCn3nc(C)nc32)ccc1O ZINC000175785452 540097778 /nfs/dbraw/zinc/09/77/78/540097778.db2.gz YIOUEZQNOKYBPK-CYBMUJFWSA-N 0 0 345.403 1.678 10 0 EDAERN CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000173368364 540094719 /nfs/dbraw/zinc/09/47/19/540094719.db2.gz AFJBVORKXHHFFR-CQSZACIVSA-N 0 0 342.461 1.380 10 0 EDAERN Cn1cc(C(=O)N2CCCCC2)cc(NC(=O)c2cccnc2)c1=O ZINC000038492678 213211459 /nfs/dbraw/zinc/21/14/59/213211459.db2.gz SGERKDZBCHLANC-UHFFFAOYSA-N 0 0 340.383 1.659 10 0 EDAERN O=c1[nH]c2ccccc2n1CCCSc1nc2[nH]cnc2c(=O)[nH]1 ZINC000033027512 540103804 /nfs/dbraw/zinc/10/38/04/540103804.db2.gz AFOQVVIUNQRMRN-UHFFFAOYSA-N 0 0 342.384 1.884 10 0 EDAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178478286 540110616 /nfs/dbraw/zinc/11/06/16/540110616.db2.gz QZVLNRHARNLOJZ-KBXCAEBGSA-N 0 0 346.431 1.385 10 0 EDAERN O=C(Nc1ccnn1-c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000179403567 540117388 /nfs/dbraw/zinc/11/73/88/540117388.db2.gz GMIHTRLKRWWEKK-ZFWWWQNUSA-N 0 0 342.399 1.478 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCCCn2ccnn2)[C@H]1c1ccccc1 ZINC000183021512 540135487 /nfs/dbraw/zinc/13/54/87/540135487.db2.gz YQXGVTUQXMZWEV-DOTOQJQBSA-N 0 0 341.415 1.394 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccncc3F)C2=O)n(C)n1 ZINC000184115663 235311208 /nfs/dbraw/zinc/31/12/08/235311208.db2.gz KPWASJWNKLRSIX-CYBMUJFWSA-N 0 0 346.366 1.580 10 0 EDAERN COC(=O)CN(CCN1CCOCC1)Cc1ccc2ccccc2n1 ZINC000172418614 291079105 /nfs/dbraw/zinc/07/91/05/291079105.db2.gz XLARQPMRLQYRCA-UHFFFAOYSA-N 0 0 343.427 1.542 10 0 EDAERN Cc1noc([C@H](C)N2CCN(Cc3nc(-c4ccoc4)no3)CC2)n1 ZINC000105864945 219567230 /nfs/dbraw/zinc/56/72/30/219567230.db2.gz JTXWSNNUDKHCLF-NSHDSACASA-N 0 0 344.375 1.900 10 0 EDAERN C[C@@H](CNC(=O)NC[C@@H](CCO)c1ccccc1)N1CCOCC1 ZINC000077531762 138253007 /nfs/dbraw/zinc/25/30/07/138253007.db2.gz OJMMNAUMGLEPIP-DOTOQJQBSA-N 0 0 335.448 1.173 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)o1 ZINC000077538232 138253023 /nfs/dbraw/zinc/25/30/23/138253023.db2.gz BOPBDKZANOFZBD-JTQLQIEISA-N 0 0 343.339 1.849 10 0 EDAERN O=C(c1cccc(Cl)c1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856663 138269486 /nfs/dbraw/zinc/26/94/86/138269486.db2.gz QKEJOWAVNFMOIT-CYBMUJFWSA-N 0 0 328.155 1.418 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000081795388 138267586 /nfs/dbraw/zinc/26/75/86/138267586.db2.gz CAXYUBGCTIPPFM-SECBINFHSA-N 0 0 330.319 1.730 10 0 EDAERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091781114 138284930 /nfs/dbraw/zinc/28/49/30/138284930.db2.gz NMKHDWSUHKJPDO-CMPLNLGQSA-N 0 0 326.780 1.128 10 0 EDAERN Cc1cccc(NC(=O)CS(=O)(=O)Cc2nnc(C3CC3)n2C)c1 ZINC000091048999 138281362 /nfs/dbraw/zinc/28/13/62/138281362.db2.gz YWJMUCCNKOIGLF-UHFFFAOYSA-N 0 0 348.428 1.554 10 0 EDAERN CCCC(=O)Nc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104783671 138300621 /nfs/dbraw/zinc/30/06/21/138300621.db2.gz BIZGLZALROCGMW-MRXNPFEDSA-N 0 0 348.447 1.555 10 0 EDAERN NC(=O)[C@@H]1COCCN1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000092228863 138287116 /nfs/dbraw/zinc/28/71/16/138287116.db2.gz YMPMEAKIFDKQPP-LBPRGKRZSA-N 0 0 345.321 1.220 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000120755454 138316407 /nfs/dbraw/zinc/31/64/07/138316407.db2.gz GMHHIKWFRRUSSJ-NVXWUHKLSA-N 0 0 329.400 1.925 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC(Cn3cccn3)CC2)no1 ZINC000111229246 138308098 /nfs/dbraw/zinc/30/80/98/138308098.db2.gz ATIFAXIPMRKYFD-UHFFFAOYSA-N 0 0 347.419 1.674 10 0 EDAERN O=C(CCOc1ccc(F)cc1Cl)N[C@@H]1CCc2ncnn2C1 ZINC000112646999 138309418 /nfs/dbraw/zinc/30/94/18/138309418.db2.gz MMFWBIFDEYZHEF-LLVKDONJSA-N 0 0 338.770 1.971 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CSCc1ccccn1)CC2 ZINC000114865408 138310610 /nfs/dbraw/zinc/31/06/10/138310610.db2.gz QEECGWZJLTYMFF-LBPRGKRZSA-N 0 0 331.445 1.600 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(C=O)cc1)CC2 ZINC000114865252 138310637 /nfs/dbraw/zinc/31/06/37/138310637.db2.gz SBLRQUVHILKJDH-ZDUSSCGKSA-N 0 0 328.372 1.163 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccnc(OC)c1)CC2 ZINC000114920892 138310819 /nfs/dbraw/zinc/31/08/19/138310819.db2.gz OBHRORMQXILTFL-LBPRGKRZSA-N 0 0 330.392 1.058 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116123915 138311513 /nfs/dbraw/zinc/31/15/13/138311513.db2.gz SBVAEOZXHCAXCJ-ZDUSSCGKSA-N 0 0 327.450 1.341 10 0 EDAERN COc1ccccc1CCNC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116312877 138311760 /nfs/dbraw/zinc/31/17/60/138311760.db2.gz LDURRLSODKKZCP-MRXNPFEDSA-N 0 0 342.443 1.577 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124553857 138327852 /nfs/dbraw/zinc/32/78/52/138327852.db2.gz FBHSLPWLHDERTC-GFCCVEGCSA-N 0 0 330.388 1.538 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000123682932 138320692 /nfs/dbraw/zinc/32/06/92/138320692.db2.gz MHEIIYVQBLIRQC-GXTWGEPZSA-N 0 0 332.404 1.276 10 0 EDAERN CCOC(=O)N[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)C(C)C ZINC000125902295 138336682 /nfs/dbraw/zinc/33/66/82/138336682.db2.gz WXDODKJSPDSXEB-OAHLLOKOSA-N 0 0 336.436 1.892 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)CCS1 ZINC000126535599 138338176 /nfs/dbraw/zinc/33/81/76/138338176.db2.gz WVODLUNQEUINLA-NSHDSACASA-N 0 0 348.403 1.914 10 0 EDAERN CCOCc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000130588308 138342815 /nfs/dbraw/zinc/34/28/15/138342815.db2.gz FONPQDQVHSSIOG-GDBMZVCRSA-N 0 0 334.416 1.829 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCCCS(=O)(=O)Cc2ccccc2)O1 ZINC000130913888 138349334 /nfs/dbraw/zinc/34/93/34/138349334.db2.gz GMEVXOVOGUKLIP-DZGCQCFKSA-N 0 0 325.430 1.675 10 0 EDAERN O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@H](n2cncn2)C1 ZINC000132566183 138378973 /nfs/dbraw/zinc/37/89/73/138378973.db2.gz KYGBDFOMJFUNRW-HNNXBMFYSA-N 0 0 337.387 1.400 10 0 EDAERN OCCOc1cncc(N2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000133034956 138387495 /nfs/dbraw/zinc/38/74/95/138387495.db2.gz RRXFVFWCEARAOP-JKSUJKDBSA-N 0 0 329.400 1.940 10 0 EDAERN OCCOc1cncc(N2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000133035343 138387519 /nfs/dbraw/zinc/38/75/19/138387519.db2.gz RRXFVFWCEARAOP-HZPDHXFCSA-N 0 0 329.400 1.940 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCCNC(=O)C1CC1)CC2 ZINC000133902144 138399939 /nfs/dbraw/zinc/39/99/39/138399939.db2.gz KADNLSXKFVRHOW-CYBMUJFWSA-N 0 0 333.436 1.139 10 0 EDAERN CNS(=O)(=O)c1c(N)cc(Br)cc1Br ZINC000037054666 213131851 /nfs/dbraw/zinc/13/18/51/213131851.db2.gz LVAYRRMNGUDJAL-UHFFFAOYSA-N 0 0 344.028 1.702 10 0 EDAERN O=S(=O)(c1cccc(Br)c1)N1CCCC[C@@H]1CO ZINC000036796830 213119027 /nfs/dbraw/zinc/11/90/27/213119027.db2.gz ZNYUFXCSHQNNIJ-LLVKDONJSA-N 0 0 334.235 1.985 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1Br ZINC000036721700 213113955 /nfs/dbraw/zinc/11/39/55/213113955.db2.gz JTBOEGZKRJWJLJ-UHFFFAOYSA-N 0 0 333.207 1.835 10 0 EDAERN COc1ccc([C@H]2CN(C(=O)[C@@H]3CCCO3)CCN2C)cc1OC ZINC000036132854 213071183 /nfs/dbraw/zinc/07/11/83/213071183.db2.gz YXFXBSWDJGAJST-ZBFHGGJFSA-N 0 0 334.416 1.698 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)c2ccccc2C)C[C@@H]1C ZINC000036124490 213071193 /nfs/dbraw/zinc/07/11/93/213071193.db2.gz IGSVZPAGRUVCJP-GJZGRUSLSA-N 0 0 326.462 1.725 10 0 EDAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000187779069 236298069 /nfs/dbraw/zinc/29/80/69/236298069.db2.gz NXSPIEQCIVMXMP-ZDUSSCGKSA-N 0 0 339.461 1.637 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)NCC(F)(F)F)n2)n1 ZINC000070876171 215720273 /nfs/dbraw/zinc/72/02/73/215720273.db2.gz GRKOFDYJGSOYSK-SNVBAGLBSA-N 0 0 343.309 1.285 10 0 EDAERN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187985132 236372430 /nfs/dbraw/zinc/37/24/30/236372430.db2.gz STUQYAKYJNQJHE-UHFFFAOYSA-N 0 0 339.754 1.155 10 0 EDAERN Cc1nc(C)c([C@H](C)NS(=O)(=O)c2cnccc2NN)s1 ZINC000071220587 215744741 /nfs/dbraw/zinc/74/47/41/215744741.db2.gz VJRBXAXTTOLIQU-QMMMGPOBSA-N 0 0 327.435 1.480 10 0 EDAERN C[C@H]([NH2+]CC(=O)Nc1ccccc1I)C(=O)[O-] ZINC000035388790 213024120 /nfs/dbraw/zinc/02/41/20/213024120.db2.gz NNMTVZMXUFROIU-ZETCQYMHSA-N 0 0 348.140 1.292 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000164588181 138650846 /nfs/dbraw/zinc/65/08/46/138650846.db2.gz UOQOEMPGDAVAKX-RHSMWYFYSA-N 0 0 342.399 1.304 10 0 EDAERN CCS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC000034959318 213002611 /nfs/dbraw/zinc/00/26/11/213002611.db2.gz WJHAMDOJPKFIJN-UHFFFAOYSA-N 0 0 333.218 1.402 10 0 EDAERN CCOC(=O)CCN(C(=O)Cc1ccc(F)cc1)[C@@H](CC)CO ZINC000071620347 215789286 /nfs/dbraw/zinc/78/92/86/215789286.db2.gz USKDVPNCHLQHOI-HNNXBMFYSA-N 0 0 325.380 1.921 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1nc2ccccn2c1C[NH+](C)C)C(=O)[O-] ZINC000071543148 215784997 /nfs/dbraw/zinc/78/49/97/215784997.db2.gz QRKQYCZHCQZTSG-BXUZGUMPSA-N 0 0 332.404 1.625 10 0 EDAERN Cc1sc(CCNC(=O)[C@H]2CNC(=O)C2)nc1-c1ccccc1 ZINC000175754574 138699673 /nfs/dbraw/zinc/69/96/73/138699673.db2.gz DPAGEAOYTBDYPW-CYBMUJFWSA-N 0 0 329.425 1.913 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000176380317 138708027 /nfs/dbraw/zinc/70/80/27/138708027.db2.gz QLDGNFATRAMSQQ-UONOGXRCSA-N 0 0 329.404 1.846 10 0 EDAERN CCNC(=O)CCCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176438940 138708951 /nfs/dbraw/zinc/70/89/51/138708951.db2.gz YYYDCEYUFIPTBZ-AWEZNQCLSA-N 0 0 347.463 1.974 10 0 EDAERN CCCCN(CC)c1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000180269611 138758087 /nfs/dbraw/zinc/75/80/87/138758087.db2.gz SIAGCKFAFBQXLH-INIZCTEOSA-N 0 0 333.432 1.639 10 0 EDAERN CCOc1cccc(N2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)n1 ZINC000106534514 219660018 /nfs/dbraw/zinc/66/00/18/219660018.db2.gz BLSBQOLHGJHJCB-GJZGRUSLSA-N 0 0 348.447 1.879 10 0 EDAERN Cc1ccc(F)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC(C)C)c1 ZINC000032536215 212808456 /nfs/dbraw/zinc/80/84/56/212808456.db2.gz PLUDRCGPAQOMCE-JSGCOSHPSA-N 0 0 349.449 1.071 10 0 EDAERN Cc1cnc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)o1 ZINC000173697213 237263500 /nfs/dbraw/zinc/26/35/00/237263500.db2.gz SBZQESVJKRQTLC-MRXNPFEDSA-N 0 0 331.416 1.541 10 0 EDAERN Nc1cc(Br)ccc1S[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693240 213162729 /nfs/dbraw/zinc/16/27/29/213162729.db2.gz DMNHPIQIGOXGMI-WCBMZHEXSA-N 0 0 338.248 1.281 10 0 EDAERN CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCCN1CCOCC1 ZINC000027975797 212590391 /nfs/dbraw/zinc/59/03/91/212590391.db2.gz LUPMATVUUNRFDX-GOSISDBHSA-N 0 0 332.444 1.781 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCc2cnn(C)c2C)C12CCOCC2 ZINC000185905527 138810289 /nfs/dbraw/zinc/81/02/89/138810289.db2.gz FVAOAYQDEWZTAX-GJZGRUSLSA-N 0 0 336.436 1.502 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000072685971 216293365 /nfs/dbraw/zinc/29/33/65/216293365.db2.gz BPAZWMMPDIFJRN-GASCZTMLSA-N 0 0 335.423 1.584 10 0 EDAERN C[C@H](NC(=O)N[C@H](CCO)c1ccco1)c1nnc2n1CCCC2 ZINC000187371118 138826379 /nfs/dbraw/zinc/82/63/79/138826379.db2.gz QXGISZLQYLKAIJ-NWDGAFQWSA-N 0 0 333.392 1.691 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)c2)n[nH]1 ZINC000131917892 223283765 /nfs/dbraw/zinc/28/37/65/223283765.db2.gz RVGLSRVFHHGVFI-CABCVRRESA-N 0 0 339.399 1.663 10 0 EDAERN COC(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)nc1 ZINC000187651858 138828369 /nfs/dbraw/zinc/82/83/69/138828369.db2.gz YEMOJXRNTGSXEE-KGLIPLIRSA-N 0 0 346.408 1.778 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3ccc[nH]3)C2=O)n(C)n1 ZINC000188223416 138834695 /nfs/dbraw/zinc/83/46/95/138834695.db2.gz JBSCXGRMKSODKX-HSBSLETESA-N 0 0 327.388 1.382 10 0 EDAERN COC(=O)c1sc(N2CCO[C@@H](Cn3cccn3)C2)nc1Cl ZINC000108949586 219934757 /nfs/dbraw/zinc/93/47/57/219934757.db2.gz ANIQXKYWTLVPSR-SECBINFHSA-N 0 0 342.808 1.685 10 0 EDAERN CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc(Cl)c[nH]c1=O)C2 ZINC000223168910 241610447 /nfs/dbraw/zinc/61/04/47/241610447.db2.gz CEWKANWLCGJUHM-ZDUSSCGKSA-N 0 0 336.779 1.324 10 0 EDAERN CCS(=O)(=O)N1Cc2ccnn2[C@H](COCc2cccnc2)C1 ZINC000253489051 244001671 /nfs/dbraw/zinc/00/16/71/244001671.db2.gz CSWGOXPKIILTDI-HNNXBMFYSA-N 0 0 336.417 1.201 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)C(=O)c3c(C)nn(C)c3C)CCO2)cn1 ZINC000191757145 138923294 /nfs/dbraw/zinc/92/32/94/138923294.db2.gz APDIMZUNRDDGPT-CQSZACIVSA-N 0 0 345.403 1.036 10 0 EDAERN COC(=O)CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000020113836 212103278 /nfs/dbraw/zinc/10/32/78/212103278.db2.gz UFBNXNSVWOFBJI-UHFFFAOYSA-N 0 0 328.390 1.265 10 0 EDAERN CC[C@@H](C(=O)OC(C)C)n1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000019990885 212092324 /nfs/dbraw/zinc/09/23/24/212092324.db2.gz UCQVMGFARUTBDJ-VIFPVBQESA-N 0 0 337.401 1.768 10 0 EDAERN CCc1nnc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1C ZINC000195076716 139006506 /nfs/dbraw/zinc/00/65/06/139006506.db2.gz WLLDWUONZRAKJR-AWEZNQCLSA-N 0 0 333.480 1.848 10 0 EDAERN CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)cc1 ZINC000195194497 139009822 /nfs/dbraw/zinc/00/98/22/139009822.db2.gz SCZXYAYJSVSOSR-HNNXBMFYSA-N 0 0 346.408 1.800 10 0 EDAERN CCCCN(CC(N)=O)C(=O)c1cc(N)ccc1Br ZINC000045624141 213745213 /nfs/dbraw/zinc/74/52/13/213745213.db2.gz LKPIOHYSTPKQIF-UHFFFAOYSA-N 0 0 328.210 1.759 10 0 EDAERN COc1ccc(Br)cc1NC[C@@H](O)CN1CCOCC1 ZINC000049566630 214020426 /nfs/dbraw/zinc/02/04/26/214020426.db2.gz GDCCGRSEOJKWNM-GFCCVEGCSA-N 0 0 345.237 1.563 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000048805293 213966878 /nfs/dbraw/zinc/96/68/78/213966878.db2.gz JHTCJIJBTJERED-ZDUSSCGKSA-N 0 0 339.395 1.839 10 0 EDAERN C[NH2+]CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl ZINC000048838827 213968172 /nfs/dbraw/zinc/96/81/72/213968172.db2.gz ORPNHHXJQHCRIX-UHFFFAOYSA-N 0 0 341.216 1.579 10 0 EDAERN CCOC(=O)[C@@H](C)NC[C@@H](O)COc1ccc(Br)cc1 ZINC000049373534 214002580 /nfs/dbraw/zinc/00/25/80/214002580.db2.gz QFPPMFGOXZLSJK-ZYHUDNBSSA-N 0 0 346.221 1.730 10 0 EDAERN COc1ccc(N2CCN(CC(=O)N3CCCCC3)C2=O)cc1OC ZINC000049386900 214005120 /nfs/dbraw/zinc/00/51/20/214005120.db2.gz TVAAPOFZQGKWCZ-UHFFFAOYSA-N 0 0 347.415 1.958 10 0 EDAERN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000110494083 220039440 /nfs/dbraw/zinc/03/94/40/220039440.db2.gz IHYFAHWANYHMIS-ZDUSSCGKSA-N 0 0 344.440 1.850 10 0 EDAERN Cc1nnc2sc(CNS(=O)(=O)c3cc(C)ccc3C)nn12 ZINC000049721873 214029274 /nfs/dbraw/zinc/02/92/74/214029274.db2.gz BMLFCDLOZFSKLX-UHFFFAOYSA-N 0 0 337.430 1.590 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCc2nn(C)c(=O)cc2C1 ZINC000078620818 217088859 /nfs/dbraw/zinc/08/88/59/217088859.db2.gz JEQMEKRIAFDIQQ-UONOGXRCSA-N 0 0 340.427 1.404 10 0 EDAERN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc4n3CCS4)CC2=O)cc1 ZINC000017042007 211946935 /nfs/dbraw/zinc/94/69/35/211946935.db2.gz DTDWDEVZYQJFMN-NSHDSACASA-N 0 0 343.412 1.684 10 0 EDAERN CCc1nc2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3CO)ccc2o1 ZINC000078988983 217167945 /nfs/dbraw/zinc/16/79/45/217167945.db2.gz SEIXLKPMFQINIS-DGCLKSJQSA-N 0 0 345.399 1.996 10 0 EDAERN CCCNC(=O)CCC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000110727862 220061619 /nfs/dbraw/zinc/06/16/19/220061619.db2.gz QMJULHGITDGFGG-UHFFFAOYSA-N 0 0 349.479 1.244 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110883296 220074546 /nfs/dbraw/zinc/07/45/46/220074546.db2.gz OPYZCSTWVGYYEQ-GFCCVEGCSA-N 0 0 346.474 1.648 10 0 EDAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085113 220097309 /nfs/dbraw/zinc/09/73/09/220097309.db2.gz KYSUYCSAFAWUBQ-NVXWUHKLSA-N 0 0 340.383 1.304 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000080634593 217321108 /nfs/dbraw/zinc/32/11/08/217321108.db2.gz NQCXTDWKWMETDC-GXTWGEPZSA-N 0 0 348.428 1.420 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111620596 220172031 /nfs/dbraw/zinc/17/20/31/220172031.db2.gz SQMVPXYXZNOQOE-AWEZNQCLSA-N 0 0 345.424 1.781 10 0 EDAERN Cc1ccccc1OCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111835591 220204217 /nfs/dbraw/zinc/20/42/17/220204217.db2.gz PQSWGAZPOFAVOA-MRXNPFEDSA-N 0 0 344.415 1.681 10 0 EDAERN O=C(NCCCOC1CCCC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111845708 220204517 /nfs/dbraw/zinc/20/45/17/220204517.db2.gz YGPQHEUDMVFAON-INIZCTEOSA-N 0 0 336.436 1.643 10 0 EDAERN CN1CCC(=O)Nc2cc(C(=O)NC[C@H]3CCCC[C@H]3O)ccc21 ZINC000245463971 139076040 /nfs/dbraw/zinc/07/60/40/139076040.db2.gz PCKYVIQZSSTVAH-CZUORRHYSA-N 0 0 331.416 1.746 10 0 EDAERN CC(C)c1noc(CCCNc2cc(N3CCC[C@H]3CO)ncn2)n1 ZINC000112077038 220238635 /nfs/dbraw/zinc/23/86/35/220238635.db2.gz BJONUYNYCIIYGZ-ZDUSSCGKSA-N 0 0 346.435 1.989 10 0 EDAERN CC(C)CO[C@H](C)c1noc(CN2CC[C@@H](N3CCOCC3)C2)n1 ZINC000245498927 139076990 /nfs/dbraw/zinc/07/69/90/139076990.db2.gz XEJZKDTYYALJAE-HUUCEWRRSA-N 0 0 338.452 1.710 10 0 EDAERN O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCCOCC1 ZINC000245615130 139081076 /nfs/dbraw/zinc/08/10/76/139081076.db2.gz MMNVHJKRTJVXQI-ROUUACIJSA-N 0 0 347.459 1.274 10 0 EDAERN COc1cccc(CNC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112104043 220243180 /nfs/dbraw/zinc/24/31/80/220243180.db2.gz QKUVLMPIHPQNHH-QGZVFWFLSA-N 0 0 344.415 1.811 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000190334731 284437102 /nfs/dbraw/zinc/43/71/02/284437102.db2.gz FMXITTLHVDLLKH-STQMWFEESA-N 0 0 348.790 1.654 10 0 EDAERN C[C@@H]1CN(CCS(=O)(=O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246291958 139102874 /nfs/dbraw/zinc/10/28/74/139102874.db2.gz BCCDAZNQPJQCNM-NVXWUHKLSA-N 0 0 338.473 1.113 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)c2ccc(CNS(C)(=O)=O)o2)o1 ZINC000084743259 217641299 /nfs/dbraw/zinc/64/12/99/217641299.db2.gz YRKZEKKYQSIDFD-JTQLQIEISA-N 0 0 326.374 1.721 10 0 EDAERN Cn1cc(N2CC[C@@H](N3CC[C@@H](Oc4cccnc4)C3)C2=O)cn1 ZINC000246599568 139114514 /nfs/dbraw/zinc/11/45/14/139114514.db2.gz IXQMYHNJLLCCJU-HZPDHXFCSA-N 0 0 327.388 1.074 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)c2nccnc2N)c2cccs2)CCO1 ZINC000246758626 139120452 /nfs/dbraw/zinc/12/04/52/139120452.db2.gz IDGRKECSVHKSRW-VXGBXAGGSA-N 0 0 347.444 1.312 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1ccsc1 ZINC000087249802 217720698 /nfs/dbraw/zinc/72/06/98/217720698.db2.gz NNIMPSBBVDMWJM-NEPJUHHUSA-N 0 0 335.433 1.770 10 0 EDAERN CC[C@H]1CN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CCN1CCOC ZINC000247094458 139135162 /nfs/dbraw/zinc/13/51/62/139135162.db2.gz MFQDKSZPTUUJII-KBPBESRZSA-N 0 0 327.469 1.106 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C[C@H]1C ZINC000247143140 139137458 /nfs/dbraw/zinc/13/74/58/139137458.db2.gz PIDTULOMJSPCEA-FHLIZLRMSA-N 0 0 332.444 1.978 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3ccc(C)cc3)CCO2)[nH]1 ZINC000247173076 139138852 /nfs/dbraw/zinc/13/88/52/139138852.db2.gz RGVAUWGLHFZRAZ-GDBMZVCRSA-N 0 0 332.404 1.235 10 0 EDAERN CCCCO[C@@H]1C[C@H](NC(=O)NC[C@H](C)N2CCOCC2)C1(C)C ZINC000247341392 139145513 /nfs/dbraw/zinc/14/55/13/139145513.db2.gz NTXLIDLSNVQVOO-HRCADAONSA-N 0 0 341.496 1.990 10 0 EDAERN CCOCCN1CCN([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C ZINC000247733550 139154453 /nfs/dbraw/zinc/15/44/53/139154453.db2.gz VCVOCGNIXAECFX-OLZOCXBDSA-N 0 0 337.386 1.192 10 0 EDAERN CC[C@H]1CN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CCN1C[C@H](C)O ZINC000247734469 139154477 /nfs/dbraw/zinc/15/44/77/139154477.db2.gz MQKXZOXAIYJXGV-LRDDRELGSA-N 0 0 349.475 1.794 10 0 EDAERN O=S(=O)(CCCOc1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 ZINC000012440667 211383543 /nfs/dbraw/zinc/38/35/43/211383543.db2.gz PVSAGWLBLGSVPV-ZDUSSCGKSA-N 0 0 343.401 1.283 10 0 EDAERN C[C@@H]1CCN(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c2ccccc2S1 ZINC000248396377 139161967 /nfs/dbraw/zinc/16/19/67/139161967.db2.gz QAPZWMMHAAWYNV-MCIONIFRSA-N 0 0 336.457 1.331 10 0 EDAERN C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ncccn3)c2)C1=O ZINC000012003251 211279654 /nfs/dbraw/zinc/27/96/54/211279654.db2.gz RPPKSIAUICAVFK-SNVBAGLBSA-N 0 0 346.368 1.041 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@](C)(O)c1ccc(F)cc1 ZINC000248643225 139169868 /nfs/dbraw/zinc/16/98/68/139169868.db2.gz PCSMMASCXSBGAM-SJLPKXTDSA-N 0 0 338.423 1.650 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000091782865 218065726 /nfs/dbraw/zinc/06/57/26/218065726.db2.gz FMZAZTVNNLBCRU-ZDUSSCGKSA-N 0 0 349.387 1.199 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CCOC[C@@H]3C(N)=O)c2)cs1 ZINC000091785317 218065985 /nfs/dbraw/zinc/06/59/85/218065985.db2.gz DOXVUARBQJMUOY-CQSZACIVSA-N 0 0 331.397 1.445 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CSCc1cccc(Cl)c1 ZINC000091782548 218066076 /nfs/dbraw/zinc/06/60/76/218066076.db2.gz LFQNTBILOYTGLU-GFCCVEGCSA-N 0 0 328.821 1.286 10 0 EDAERN CCn1cc([C@H]2CN(C[C@@H](O)COc3ccccc3F)CCO2)cn1 ZINC000248692694 139171950 /nfs/dbraw/zinc/17/19/50/139171950.db2.gz AWTOLFFSCGBOSS-CRAIPNDOSA-N 0 0 349.406 1.855 10 0 EDAERN CC(C)(C)c1cc(CN2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)[nH]n1 ZINC000092098938 218119761 /nfs/dbraw/zinc/11/97/61/218119761.db2.gz CRXMWANLBSANKP-TZMCWYRMSA-N 0 0 340.493 1.563 10 0 EDAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1cccc(Cl)c1Cl ZINC000092228990 218128055 /nfs/dbraw/zinc/12/80/55/218128055.db2.gz DHCOCVNKDXBJQK-SNVBAGLBSA-N 0 0 332.187 1.118 10 0 EDAERN [NH3+][C@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-] ZINC000010037972 211143587 /nfs/dbraw/zinc/14/35/87/211143587.db2.gz GGZNCSAAOLXGAW-NXEZZACHSA-N 0 0 328.777 1.117 10 0 EDAERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000248968531 139181802 /nfs/dbraw/zinc/18/18/02/139181802.db2.gz CVOFTCKIMMNGNN-SRVKXCTJSA-N 0 0 337.424 1.779 10 0 EDAERN COc1cccc(-c2nc([C@H]3NC(=O)[C@H]4COCCN43)cs2)c1 ZINC000093885205 218255251 /nfs/dbraw/zinc/25/52/51/218255251.db2.gz JBZMCFDKIBIMSO-KGLIPLIRSA-N 0 0 331.397 1.648 10 0 EDAERN COc1c(CN(C)CCN2C(=O)c3ccccc3C2=O)c(C)nn1C ZINC000093837846 218253113 /nfs/dbraw/zinc/25/31/13/218253113.db2.gz PYWVQBKVFCFWLO-UHFFFAOYSA-N 0 0 342.399 1.465 10 0 EDAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249592024 139196163 /nfs/dbraw/zinc/19/61/63/139196163.db2.gz VROWBQRJMAHCNZ-WXHSDQCUSA-N 0 0 348.476 1.350 10 0 EDAERN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C[NH2+]CC(=O)[O-])C1 ZINC000261962099 139240244 /nfs/dbraw/zinc/24/02/44/139240244.db2.gz XYUMWQQFMIEXKC-LBPRGKRZSA-N 0 0 344.408 1.209 10 0 EDAERN Cn1cccc1C(=O)N1CCO[C@H]2[C@H](CNc3ncccn3)CC[C@@H]21 ZINC000096250137 218721988 /nfs/dbraw/zinc/72/19/88/218721988.db2.gz PTRHAFZVIVCXCH-DZKIICNBSA-N 0 0 341.415 1.547 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NCc2cc(C(N)=O)co2)no1 ZINC000187980655 272953886 /nfs/dbraw/zinc/95/38/86/272953886.db2.gz BDVJKMYBTMKMOG-LBPRGKRZSA-N 0 0 347.375 1.932 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000153454722 224106401 /nfs/dbraw/zinc/10/64/01/224106401.db2.gz CGJWJWSWUZAYCN-OAHLLOKOSA-N 0 0 346.362 1.197 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648775 220362500 /nfs/dbraw/zinc/36/25/00/220362500.db2.gz OXRKVGKTBAJEJT-RYUDHWBXSA-N 0 0 335.408 1.109 10 0 EDAERN CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112656583 220365078 /nfs/dbraw/zinc/36/50/78/220365078.db2.gz QOKYTSABBIEYGY-CQSZACIVSA-N 0 0 342.403 1.553 10 0 EDAERN CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112653525 220365272 /nfs/dbraw/zinc/36/52/72/220365272.db2.gz IOEJQYPTJIEIAA-LBPRGKRZSA-N 0 0 342.403 1.553 10 0 EDAERN Cc1ccc(C)c(C(=O)CCC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112656267 220365536 /nfs/dbraw/zinc/36/55/36/220365536.db2.gz YFRMHVIBWDZJBN-AWEZNQCLSA-N 0 0 326.400 1.989 10 0 EDAERN Cc1csc(N2CCC(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)n1 ZINC000112656568 220366013 /nfs/dbraw/zinc/36/60/13/220366013.db2.gz MKSUCMSDSMVNDH-CYBMUJFWSA-N 0 0 346.460 1.391 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c2cnn(C(C)C)c2n1 ZINC000112658297 220367272 /nfs/dbraw/zinc/36/72/72/220367272.db2.gz FNCIWBXIVRACLW-GFCCVEGCSA-N 0 0 339.403 1.657 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCc3ccco3)CC2)cn1 ZINC000112713144 220384046 /nfs/dbraw/zinc/38/40/46/220384046.db2.gz LQNJUXGZRUEBSE-UHFFFAOYSA-N 0 0 331.420 1.914 10 0 EDAERN O=C(NCc1ccc(-n2cccn2)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112743699 220393574 /nfs/dbraw/zinc/39/35/74/220393574.db2.gz LIGZQNXNLZMAMI-CQSZACIVSA-N 0 0 337.387 1.278 10 0 EDAERN COCCOc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112743554 220394277 /nfs/dbraw/zinc/39/42/77/220394277.db2.gz GDAVLZFGHLDNJU-AWEZNQCLSA-N 0 0 345.403 1.118 10 0 EDAERN COc1ccc(CCCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112745329 220395275 /nfs/dbraw/zinc/39/52/75/220395275.db2.gz BTGYVCSNPPBMSX-CQSZACIVSA-N 0 0 329.404 1.534 10 0 EDAERN COc1ccc(CCCNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112745330 220395775 /nfs/dbraw/zinc/39/57/75/220395775.db2.gz BTGYVCSNPPBMSX-AWEZNQCLSA-N 0 0 329.404 1.534 10 0 EDAERN O=Cc1ccc(OCC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000113184023 220473995 /nfs/dbraw/zinc/47/39/95/220473995.db2.gz DFVFRHGKKDIXFK-MRXNPFEDSA-N 0 0 329.356 1.002 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc3c(c1)CCC3)CC2 ZINC000114874992 220772144 /nfs/dbraw/zinc/77/21/44/220772144.db2.gz ZSGDYXLHNBMFBF-CQSZACIVSA-N 0 0 346.456 1.623 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)CC2 ZINC000114874306 220772775 /nfs/dbraw/zinc/77/27/75/220772775.db2.gz LQHXFEDCIZTHKC-CYBMUJFWSA-N 0 0 334.445 1.751 10 0 EDAERN COc1ccc(-c2noc([C@@H](C)NC[C@H]3CN(C)CCO3)n2)cc1 ZINC000130449281 533207468 /nfs/dbraw/zinc/20/74/68/533207468.db2.gz XNLZCRGMKSJKAI-DOMZBBRYSA-N 0 0 332.404 1.726 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CCN1CCOC ZINC000117372001 221059201 /nfs/dbraw/zinc/05/92/01/221059201.db2.gz DWQYZQWHSJNQMS-ZDUSSCGKSA-N 0 0 348.415 1.696 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C[C@@H]1C ZINC000117454655 221065966 /nfs/dbraw/zinc/06/59/66/221065966.db2.gz QNDJMCMGTFRFJD-NSHDSACASA-N 0 0 338.383 1.109 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000117277975 221041377 /nfs/dbraw/zinc/04/13/77/221041377.db2.gz CMKOZQTXXGNSBA-AWEZNQCLSA-N 0 0 336.432 1.887 10 0 EDAERN COCCN1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C[C@H]1C ZINC000117285260 221043500 /nfs/dbraw/zinc/04/35/00/221043500.db2.gz PQVTWHYMQOJCMB-MRXNPFEDSA-N 0 0 342.443 1.973 10 0 EDAERN CC[C@@H]1CN(C(=O)CSCc2ccccn2)CCN1CCOC ZINC000117300474 221049658 /nfs/dbraw/zinc/04/96/58/221049658.db2.gz ZOBYEIABRLAZIF-MRXNPFEDSA-N 0 0 337.489 1.884 10 0 EDAERN CC[C@H]1CN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CCN1CCOC ZINC000117306989 221051156 /nfs/dbraw/zinc/05/11/56/221051156.db2.gz MFQDKSZPTUUJII-KGLIPLIRSA-N 0 0 327.469 1.106 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](C)Oc2ccccc2)C[C@H]1C ZINC000117497087 221071770 /nfs/dbraw/zinc/07/17/70/221071770.db2.gz GGZIQYJARXOGLV-HZPDHXFCSA-N 0 0 335.448 1.816 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000117522356 221074474 /nfs/dbraw/zinc/07/44/74/221074474.db2.gz RDYUDUVWSKJGSY-HNNXBMFYSA-N 0 0 333.432 1.421 10 0 EDAERN Cc1cnn(CCNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000117809339 221091892 /nfs/dbraw/zinc/09/18/92/221091892.db2.gz NFUHQVNTHCLPEC-UHFFFAOYSA-N 0 0 335.791 1.975 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccc3c(c2)OCCCO3)c1 ZINC000118070655 221111769 /nfs/dbraw/zinc/11/17/69/221111769.db2.gz IXXMZHOQDXZBTM-UHFFFAOYSA-N 0 0 330.388 1.852 10 0 EDAERN CCN(C(=O)NCCn1cc(C)cn1)[C@H](C)CS(=O)(=O)CC ZINC000118079983 221112821 /nfs/dbraw/zinc/11/28/21/221112821.db2.gz MVCKGEJUEIHDRI-CYBMUJFWSA-N 0 0 330.454 1.046 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000118078255 221112965 /nfs/dbraw/zinc/11/29/65/221112965.db2.gz ZRXPMOMHXGCSMV-UHFFFAOYSA-N 0 0 341.415 1.359 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000118115366 221121550 /nfs/dbraw/zinc/12/15/50/221121550.db2.gz UUSCXKHFPSCNRL-JTQLQIEISA-N 0 0 346.214 1.379 10 0 EDAERN CCCNC(=O)CCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118674401 221168317 /nfs/dbraw/zinc/16/83/17/221168317.db2.gz HVBNBDQTQQUUBP-AWEZNQCLSA-N 0 0 333.436 1.258 10 0 EDAERN Cc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)c(Br)n1 ZINC000119045452 221230689 /nfs/dbraw/zinc/23/06/89/221230689.db2.gz OBJRZDPECKDVFW-LLVKDONJSA-N 0 0 342.237 1.603 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@]1(CCO)CCOC1)C(C)C ZINC000119067534 221236415 /nfs/dbraw/zinc/23/64/15/221236415.db2.gz OKNFNVJPHVHLCP-WBVHZDCISA-N 0 0 328.453 1.079 10 0 EDAERN CCOC(=O)c1c(C)oc2nc(CN[C@H](C)[C@@H]3CCCO3)nc(N)c21 ZINC000119255795 221278099 /nfs/dbraw/zinc/27/80/99/221278099.db2.gz LFYKRFCAJQVSBG-KOLCDFICSA-N 0 0 348.403 1.947 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)O1 ZINC000119216237 221268871 /nfs/dbraw/zinc/26/88/71/221268871.db2.gz KQYXXYFORSMHBD-YOEHRIQHSA-N 0 0 348.418 1.997 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)CC(C)(C)OC ZINC000119222371 221269743 /nfs/dbraw/zinc/26/97/43/221269743.db2.gz KCGDDKWGAHYJTI-NWDGAFQWSA-N 0 0 339.440 1.762 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cccnc1Br ZINC000119685721 221376054 /nfs/dbraw/zinc/37/60/54/221376054.db2.gz QVQXJVXFBNUIOT-SECBINFHSA-N 0 0 327.182 1.586 10 0 EDAERN CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000120082983 221476619 /nfs/dbraw/zinc/47/66/19/221476619.db2.gz ASEJAQUPVOBTAQ-UKRRQHHQSA-N 0 0 346.431 1.523 10 0 EDAERN Cn1nccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000155218800 224378585 /nfs/dbraw/zinc/37/85/85/224378585.db2.gz ZTDFMOXYQCULQL-LLVKDONJSA-N 0 0 340.305 1.648 10 0 EDAERN CCc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H]2Cc2cnn(C)c2)cc1 ZINC000248120702 257663894 /nfs/dbraw/zinc/66/38/94/257663894.db2.gz JVUZVABLBLQHOZ-IAGOWNOFSA-N 0 0 349.456 1.349 10 0 EDAERN Cc1nnc(N2C[C@H](C(=O)NCc3ccco3)C[C@@H]3OCC[C@@H]32)s1 ZINC000248056355 257667305 /nfs/dbraw/zinc/66/73/05/257667305.db2.gz YNUPYJBYFOTGCY-XBFCOCLRSA-N 0 0 348.428 1.740 10 0 EDAERN O=C([C@@H]1CCCO1)N1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@@H]21 ZINC000247761392 257679559 /nfs/dbraw/zinc/67/95/59/257679559.db2.gz HPMOPGSNWONNHY-QSPRXWTASA-N 0 0 331.416 1.679 10 0 EDAERN COC(=O)C1(NC(=O)CN2CCC[C@H]2c2cnn(C)c2)CCCCC1 ZINC000171411420 533234039 /nfs/dbraw/zinc/23/40/39/533234039.db2.gz KTTFVXIKCRCASV-HNNXBMFYSA-N 0 0 348.447 1.549 10 0 EDAERN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000171702771 533281638 /nfs/dbraw/zinc/28/16/38/533281638.db2.gz ACTDFSJLCDBBDU-BBRMVZONSA-N 0 0 331.395 1.759 10 0 EDAERN COc1ncncc1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000135924909 533297718 /nfs/dbraw/zinc/29/77/18/533297718.db2.gz RPAWDOIMESNYIY-SNVBAGLBSA-N 0 0 331.380 1.337 10 0 EDAERN COC(=O)CCCCCS(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000190742612 533368694 /nfs/dbraw/zinc/36/86/94/533368694.db2.gz WLSBIURTMAPQKY-CYBMUJFWSA-N 0 0 343.449 1.273 10 0 EDAERN COc1c(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c(C)nn1C ZINC000179504292 533415084 /nfs/dbraw/zinc/41/50/84/533415084.db2.gz YEOXYDJLZHZUQV-GOSISDBHSA-N 0 0 344.459 1.588 10 0 EDAERN C[C@@H](Nc1nc[n-]c(=O)c1I)[C@@H]1CCC[NH2+]C1 ZINC000164267967 533564573 /nfs/dbraw/zinc/56/45/73/533564573.db2.gz QVJFPZUUSOVTQG-HTQZYQBOSA-N 0 0 348.188 1.175 10 0 EDAERN CCc1ccc(N2C[C@@H](CNC(=O)c3ccncc3)OCC2=O)cc1 ZINC000041418716 132410197 /nfs/dbraw/zinc/41/01/97/132410197.db2.gz JRPPZJYVLKRJKI-QGZVFWFLSA-N 0 0 339.395 1.806 10 0 EDAERN CC(C)CCNS(=O)(=O)c1ccc(N2CCOCC2=O)cc1 ZINC000041452290 132410718 /nfs/dbraw/zinc/41/07/18/132410718.db2.gz HGUSVKBJWYUAQR-UHFFFAOYSA-N 0 0 326.418 1.374 10 0 EDAERN CC[C@H](C)NC(=O)N[C@H]1CCN(S(C)(=O)=O)c2ccccc21 ZINC000062269970 132436008 /nfs/dbraw/zinc/43/60/08/132436008.db2.gz MUVCAJFPCGDBFS-AAEUAGOBSA-N 0 0 325.434 1.995 10 0 EDAERN O=C(c1cccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n1)N1CCCC1 ZINC000329758916 140760967 /nfs/dbraw/zinc/76/09/67/140760967.db2.gz OFSWWIWZUWUKTF-WOSRLPQWSA-N 0 0 329.400 1.161 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2N2C(=O)[C@@H]3C[C@H](C)CCN3C2=O)cn1 ZINC000330062185 140799156 /nfs/dbraw/zinc/79/91/56/140799156.db2.gz OZXOUKGPBPZFRY-UQOMUDLDSA-N 0 0 332.404 1.796 10 0 EDAERN NC(=O)CN1CCc2ccc(NC(=O)NC[C@@H]3COCCO3)cc2C1 ZINC000333087395 141261729 /nfs/dbraw/zinc/26/17/29/141261729.db2.gz YRDBWURVMJKMFS-OAHLLOKOSA-N 0 0 348.403 1.117 10 0 EDAERN Cc1c(C(=O)NC2(c3nc[nH]n3)CCC2)cccc1N1CCNC1=O ZINC000333232463 141284926 /nfs/dbraw/zinc/28/49/26/141284926.db2.gz GXCZXSWRGHQDRC-UHFFFAOYSA-N 0 0 340.387 1.452 10 0 EDAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CCc4cccnc43)CCO2)n1 ZINC000333410583 141313682 /nfs/dbraw/zinc/31/36/82/141313682.db2.gz HCNSYRUZHJDKEX-HZPDHXFCSA-N 0 0 341.415 1.247 10 0 EDAERN CN(CC1CC(O)C1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000333578017 141339770 /nfs/dbraw/zinc/33/97/70/141339770.db2.gz VECIHEGBNCEZGA-AVVWSFFYSA-N 0 0 337.464 1.722 10 0 EDAERN O=C1[C@H](NS(=O)(=O)[C@H]2CCCOC2)CCCN1C1CCCCC1 ZINC000333601250 141343248 /nfs/dbraw/zinc/34/32/48/141343248.db2.gz YPVRRMFGWIZZSG-LSDHHAIUSA-N 0 0 344.477 1.409 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H](C)CO[C@@H]2CCOC2)C[C@]12CCCO2 ZINC000333628521 141347379 /nfs/dbraw/zinc/34/73/79/141347379.db2.gz QQZNRVIJMFAANY-PNBKFKSVSA-N 0 0 326.437 1.779 10 0 EDAERN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000173554415 292094411 /nfs/dbraw/zinc/09/44/11/292094411.db2.gz DSWKXSGNUARJNC-IRXDYDNUSA-N 0 0 330.428 1.681 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCCS(=O)(=O)CC)C12CCCC2 ZINC000151413586 286237267 /nfs/dbraw/zinc/23/72/67/286237267.db2.gz WWQMJDLGBLURMN-ZIAGYGMSSA-N 0 0 346.493 1.800 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)C12CCOCC2 ZINC000187064460 286535896 /nfs/dbraw/zinc/53/58/96/286535896.db2.gz AIEFFQWDPQTFEQ-HOTGVXAUSA-N 0 0 344.415 1.672 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@H]1C(=O)N(CC)CC ZINC000073783903 287264815 /nfs/dbraw/zinc/26/48/15/287264815.db2.gz MPZMKNIFOXJUDL-KGLIPLIRSA-N 0 0 340.468 1.334 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(F)c2)C1 ZINC000075109910 287275214 /nfs/dbraw/zinc/27/52/14/287275214.db2.gz MENZZWOOVJPMHI-IUODEOHRSA-N 0 0 337.395 1.903 10 0 EDAERN Cc1c(NC(=O)[C@@H]2CC[C@@H](C)O2)cccc1S(=O)(=O)NC1CC1 ZINC000157780394 224886896 /nfs/dbraw/zinc/88/68/96/224886896.db2.gz AHGVLCMQBYRQEC-YGRLFVJLSA-N 0 0 338.429 1.942 10 0 EDAERN CO[C@]1(CNC(=O)c2ccc(Br)c(N)c2)CCOC1 ZINC000159853660 225289647 /nfs/dbraw/zinc/28/96/47/225289647.db2.gz NLGIQELNJRUKTK-ZDUSSCGKSA-N 0 0 329.194 1.567 10 0 EDAERN CC(C)C[C@H](CCO)CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000120870974 287365390 /nfs/dbraw/zinc/36/53/90/287365390.db2.gz XVCXCOMCTJKMDV-HOTGVXAUSA-N 0 0 338.452 1.338 10 0 EDAERN CCc1nc(C2(NC[C@H](O)COC3CCOCC3)CCCC2)no1 ZINC000122415867 287380313 /nfs/dbraw/zinc/38/03/13/287380313.db2.gz YVQZESKKIPOTOA-ZDUSSCGKSA-N 0 0 339.436 1.547 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)C1CC1 ZINC000123545435 287388479 /nfs/dbraw/zinc/38/84/79/287388479.db2.gz DBYKNHZUAQWUKL-ZETCQYMHSA-N 0 0 342.193 1.001 10 0 EDAERN NC(=O)CN(Cc1cccc(N)c1)c1ccncc1Br ZINC000163968122 226033009 /nfs/dbraw/zinc/03/30/09/226033009.db2.gz OVXAOZDDYUBGCE-UHFFFAOYSA-N 0 0 335.205 1.918 10 0 EDAERN [NH3+]C[C@H]1c2ccccc2CCN1c1nc[n-]c(=O)c1Br ZINC000164579094 226085009 /nfs/dbraw/zinc/08/50/09/226085009.db2.gz HDQLXRJFMKQADW-NSHDSACASA-N 0 0 335.205 1.595 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCN(C)C(C)(C)C2)cc(N)c1Cl ZINC000164758478 226097628 /nfs/dbraw/zinc/09/76/28/226097628.db2.gz ZIBKYZZKKFJZSO-UHFFFAOYSA-N 0 0 331.869 1.945 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)Cc1ccc(Br)s1 ZINC000167081729 226180558 /nfs/dbraw/zinc/18/05/58/226180558.db2.gz GOISMOBKHGTDFX-MRVPVSSYSA-N 0 0 340.264 1.384 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(Br)cn1C1CC1 ZINC000167183264 226182043 /nfs/dbraw/zinc/18/20/43/226182043.db2.gz WRWOYMFVNHNFLK-JOYOIKCWSA-N 0 0 343.221 1.807 10 0 EDAERN C[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(Br)cnc1NN ZINC000167147994 226182202 /nfs/dbraw/zinc/18/22/02/226182202.db2.gz DKCACWGYAFJXPJ-RQJHMYQMSA-N 0 0 335.227 1.064 10 0 EDAERN Cc1ccc([S@](=O)C[C@@H]2CCCN(S(C)(=O)=O)C2)c(N)c1 ZINC000165304748 226119971 /nfs/dbraw/zinc/11/99/71/226119971.db2.gz CJLQLXKGYCEYQN-ODXCJYRJSA-N 0 0 330.475 1.356 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000165509341 226126223 /nfs/dbraw/zinc/12/62/23/226126223.db2.gz YAKSHACKONUCEF-LLVKDONJSA-N 0 0 345.378 1.878 10 0 EDAERN Nc1cc(Cl)cc(-c2nnnn2C2CCS(=O)(=O)CC2)c1 ZINC000165521057 226126893 /nfs/dbraw/zinc/12/68/93/226126893.db2.gz DRTAONIKCHNACN-UHFFFAOYSA-N 0 0 327.797 1.325 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)NCCn2cccn2)c1Cl ZINC000165920610 226141546 /nfs/dbraw/zinc/14/15/46/226141546.db2.gz ZZEMFTAAIGKLSK-UHFFFAOYSA-N 0 0 335.216 1.751 10 0 EDAERN COCc1c(N)c(=O)n(-c2ccc(Br)cc2C)n1C ZINC000165933748 226142674 /nfs/dbraw/zinc/14/26/74/226142674.db2.gz BKBBANVPKRRIQP-UHFFFAOYSA-N 0 0 326.194 1.976 10 0 EDAERN C[C@H](Cn1nnnc1-c1cc(N)cc(Br)c1)[S@](C)=O ZINC000166187336 226151597 /nfs/dbraw/zinc/15/15/97/226151597.db2.gz LNNLCZCLIRRLTP-QOLSBQFWSA-N 0 0 344.238 1.452 10 0 EDAERN NC(=S)[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000168468790 226215745 /nfs/dbraw/zinc/21/57/45/226215745.db2.gz IPCDTHWKXPBLRL-VXGBXAGGSA-N 0 0 332.491 1.305 10 0 EDAERN O=C(CN1CCN2C(=O)CC[C@@H]2C1)c1ccc(Br)s1 ZINC000168630920 226219080 /nfs/dbraw/zinc/21/90/80/226219080.db2.gz ZKSPUHJGMNCCKV-SECBINFHSA-N 0 0 343.246 2.000 10 0 EDAERN C[C@H](C[NH+](C)C)n1c(SCC(=O)[O-])nc2sccc2c1=O ZINC000169082468 226231382 /nfs/dbraw/zinc/23/13/82/226231382.db2.gz NYFHKJQZVOCXAN-MRVPVSSYSA-N 0 0 327.431 1.757 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(O)c1 ZINC000171400503 227063365 /nfs/dbraw/zinc/06/33/65/227063365.db2.gz RUUKCDHVPYCVOS-RDJZCZTQSA-N 0 0 346.427 1.991 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CCS1 ZINC000171469580 227096826 /nfs/dbraw/zinc/09/68/26/227096826.db2.gz YZQNAIPIKQSEKV-NSHDSACASA-N 0 0 331.401 1.170 10 0 EDAERN O=C(c1ccccc1-n1cnnn1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121225991 221791405 /nfs/dbraw/zinc/79/14/05/221791405.db2.gz LKJAPUAVSJLHFP-CXAGYDPISA-N 0 0 327.388 1.430 10 0 EDAERN O=S(=O)(N1CCC(Nc2cccnn2)CC1)N1CCCCCC1 ZINC000122210388 222037369 /nfs/dbraw/zinc/03/73/69/222037369.db2.gz SNQNJVGXDGTAFB-UHFFFAOYSA-N 0 0 339.465 1.474 10 0 EDAERN COc1ccc(F)cc1NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000122255948 222047468 /nfs/dbraw/zinc/04/74/68/222047468.db2.gz IDHIVJBYMOZMEC-CYBMUJFWSA-N 0 0 335.339 1.866 10 0 EDAERN COCc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000122995833 222196706 /nfs/dbraw/zinc/19/67/06/222196706.db2.gz REHWGHTVFDLOTE-KXBFYZLASA-N 0 0 346.427 1.925 10 0 EDAERN COCCN1CCN(C(=O)NCc2nc(C3CC3)cs2)C[C@@H]1C ZINC000123397088 222269817 /nfs/dbraw/zinc/26/98/17/222269817.db2.gz QYKVRFVCQLPRLR-LBPRGKRZSA-N 0 0 338.477 1.883 10 0 EDAERN CCn1cc(C2CCN(C(=O)[C@@H](NC(=O)OC)C(C)C)CC2)cn1 ZINC000124026540 222365445 /nfs/dbraw/zinc/36/54/45/222365445.db2.gz MZJUNWCFPGRIIR-HNNXBMFYSA-N 0 0 336.436 1.990 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCC(=O)OCc1ccccc1 ZINC000125294292 222544003 /nfs/dbraw/zinc/54/40/03/222544003.db2.gz UQTDTBKGMRXGBZ-CYBMUJFWSA-N 0 0 344.367 1.648 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)c3cc(N)nc(Cl)c3)CC2)cn1 ZINC000171566617 227144162 /nfs/dbraw/zinc/14/41/62/227144162.db2.gz MFRQBUZHPORGGZ-UHFFFAOYSA-N 0 0 348.838 1.399 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000154502585 287645494 /nfs/dbraw/zinc/64/54/94/287645494.db2.gz XZZBBUUDPYDDAE-LLVKDONJSA-N 0 0 349.416 1.288 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC)C(=O)OC ZINC000084370889 267407643 /nfs/dbraw/zinc/40/76/43/267407643.db2.gz HIAVWLPCBMQQIM-VHDGCEQUSA-N 0 0 334.416 1.899 10 0 EDAERN CC(C)C(=O)Nc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172760434 267529745 /nfs/dbraw/zinc/52/97/45/267529745.db2.gz XCLDCHMTKZIQRZ-QGZVFWFLSA-N 0 0 345.443 1.828 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCc1cccc(C(=O)N(C)C)c1)C(C)C ZINC000178450662 267564621 /nfs/dbraw/zinc/56/46/21/267564621.db2.gz RGGXJMFNHFFBHO-OAHLLOKOSA-N 0 0 348.447 1.001 10 0 EDAERN COC(=O)C1CCC(C(=O)N2CCN(CCOC(C)C)CC2)CC1 ZINC000179517415 267624267 /nfs/dbraw/zinc/62/42/67/267624267.db2.gz DVTYOKSVMSDGSY-UHFFFAOYSA-N 0 0 340.464 1.535 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)/C=C/c3cncc(O)c3)CCO2)n1 ZINC000182001111 267651166 /nfs/dbraw/zinc/65/11/66/267651166.db2.gz FWROFNAKRQCWMK-IDOMTICXSA-N 0 0 342.399 1.541 10 0 EDAERN C[C@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)N1CCOCC1 ZINC000046258800 272912202 /nfs/dbraw/zinc/91/22/02/272912202.db2.gz ZOEWGVIQCXMBSQ-OLZOCXBDSA-N 0 0 346.431 1.262 10 0 EDAERN C[C@@H](CNC(=O)NCCCN(C)c1ccccc1)N1CCOCC1 ZINC000047958303 272913959 /nfs/dbraw/zinc/91/39/59/272913959.db2.gz BXUUEVKMMPNAGE-INIZCTEOSA-N 0 0 334.464 1.533 10 0 EDAERN O=C([C@@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172383355 272932601 /nfs/dbraw/zinc/93/26/01/272932601.db2.gz CTRDDEHPHIBNRS-ZYHUDNBSSA-N 0 0 344.337 1.573 10 0 EDAERN COc1ccc(OCCNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000173560073 272934187 /nfs/dbraw/zinc/93/41/87/272934187.db2.gz RBTSKMMTGVIKPF-CQSZACIVSA-N 0 0 345.403 1.712 10 0 EDAERN COC1(CNC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)CCC1 ZINC000181796008 272944553 /nfs/dbraw/zinc/94/45/53/272944553.db2.gz PARGDGUOIJJYRH-OAHLLOKOSA-N 0 0 336.436 1.479 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1)C(C)C ZINC000246190487 287731663 /nfs/dbraw/zinc/73/16/63/287731663.db2.gz KOWJAJDVNYWABY-KWCYVHTRSA-N 0 0 339.461 1.990 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000248721071 287778215 /nfs/dbraw/zinc/77/82/15/287778215.db2.gz BZAQGRNYJIPOST-ABFRBSLYSA-N 0 0 348.443 1.439 10 0 EDAERN Cc1cc(Br)cnc1N1CCN([C@H](C)C(N)=O)CC1 ZINC000095431092 274676304 /nfs/dbraw/zinc/67/63/04/274676304.db2.gz BNDHJGHPTMKWMG-SNVBAGLBSA-N 0 0 327.226 1.148 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)Nc2nccn(C)c2=O)[C@@H]1c1ccc(F)cc1 ZINC000089918217 276877123 /nfs/dbraw/zinc/87/71/23/276877123.db2.gz PPRQLHGIODRNIL-OCCSQVGLSA-N 0 0 344.346 1.078 10 0 EDAERN CC(=O)N1CCc2cc(NC(=O)N[C@@H]3CCCn4ncnc43)ccc21 ZINC000175889181 277012010 /nfs/dbraw/zinc/01/20/10/277012010.db2.gz OORQVBFGYGKAAA-CQSZACIVSA-N 0 0 340.387 1.844 10 0 EDAERN CC(C)[C@@H](CO)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000078842629 277746315 /nfs/dbraw/zinc/74/63/15/277746315.db2.gz YRCSJEFEXSWIIT-BXUZGUMPSA-N 0 0 328.434 1.467 10 0 EDAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000333445332 277950055 /nfs/dbraw/zinc/95/00/55/277950055.db2.gz XHEGZMVDJVUCQZ-SNVBAGLBSA-N 0 0 335.385 1.591 10 0 EDAERN CC1(C)C[C@H](NC(=O)CN2CCCS2(=O)=O)c2ccccc2O1 ZINC000121479175 278379662 /nfs/dbraw/zinc/37/96/62/278379662.db2.gz FGDSDGBWMYQBNQ-ZDUSSCGKSA-N 0 0 338.429 1.441 10 0 EDAERN Cn1ccnc1CN1CCC(C(=O)NC[C@@H]2CCCC[C@H]2O)CC1 ZINC000155509676 279373763 /nfs/dbraw/zinc/37/37/63/279373763.db2.gz AMXPQZBVUAYZGG-JKSUJKDBSA-N 0 0 334.464 1.299 10 0 EDAERN Fc1cnc(N2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)nc1 ZINC000096076854 279473336 /nfs/dbraw/zinc/47/33/36/279473336.db2.gz ZQGPXRUVLUKQNI-KRWDZBQOSA-N 0 0 345.378 1.123 10 0 EDAERN CC(C)[C@@H]1N(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@]12CCCO2 ZINC000329489411 280041506 /nfs/dbraw/zinc/04/15/06/280041506.db2.gz YLQFHWXVZZPZKU-BMGDILEWSA-N 0 0 349.431 1.327 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@]12CCCO2 ZINC000333676478 280044210 /nfs/dbraw/zinc/04/42/10/280044210.db2.gz ZCFRBQFTDCZALT-XJKSGUPXSA-N 0 0 344.477 1.410 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC2([S@](C)=O)CCC2)C[C@]12CCCO2 ZINC000334000618 280044447 /nfs/dbraw/zinc/04/44/47/280044447.db2.gz RLINWUPARLGRTR-IATAILRESA-N 0 0 328.478 1.887 10 0 EDAERN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CC[C@H](N2CCOCC2)C1 ZINC000174494987 280116217 /nfs/dbraw/zinc/11/62/17/280116217.db2.gz GFLSOEQNOFEKOP-QRFRQXIXSA-N 0 0 326.440 1.824 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000180250051 280237943 /nfs/dbraw/zinc/23/79/43/280237943.db2.gz XVAZOQPDZZVHFA-WBMJQRKESA-N 0 0 349.406 1.252 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000183041024 293500113 /nfs/dbraw/zinc/50/01/13/293500113.db2.gz SNDYNUZGVKNDLV-ZDUSSCGKSA-N 0 0 325.372 1.275 10 0 EDAERN Cc1ccc(C)n1-c1c(C(=O)N[C@@H]2CCCn3ncnc32)cnn1C ZINC000177567164 301563210 /nfs/dbraw/zinc/56/32/10/301563210.db2.gz NTRUREFVMWLXOY-CQSZACIVSA-N 0 0 339.403 1.684 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000333845937 301648264 /nfs/dbraw/zinc/64/82/64/301648264.db2.gz PCQLYLBZQNMRBW-MRXNPFEDSA-N 0 0 337.445 1.335 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)C2)no1 ZINC000171234079 302942832 /nfs/dbraw/zinc/94/28/32/302942832.db2.gz PZAQUJMQDSRQAO-HUUCEWRRSA-N 0 0 348.447 1.806 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1)C1CCC1 ZINC000249139951 303747544 /nfs/dbraw/zinc/74/75/44/303747544.db2.gz PTAZTGYTDGMCAF-ARFHVFGLSA-N 0 0 347.459 1.644 10 0 EDAERN C[C@H]1CC[C@H](O)CN1S(=O)(=O)CCCOCc1ccccc1 ZINC000399242703 303858127 /nfs/dbraw/zinc/85/81/27/303858127.db2.gz HKZAESGGZOCHIL-HOCLYGCPSA-N 0 0 327.446 1.768 10 0 EDAERN O=S(=O)(Nc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000005889437 440972641 /nfs/dbraw/zinc/97/26/41/440972641.db2.gz PIUAQTVNPKEUKR-ZETCQYMHSA-N 0 0 344.241 1.922 10 0 EDAERN C[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000046971179 441143843 /nfs/dbraw/zinc/14/38/43/441143843.db2.gz YJHDDDJRHQORAN-XJKSGUPXSA-N 0 0 349.406 1.861 10 0 EDAERN O=C(CN1CCOCC1)N1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000097941065 441145909 /nfs/dbraw/zinc/14/59/09/441145909.db2.gz UYQGCMBTQZOFBZ-HNNXBMFYSA-N 0 0 342.399 1.385 10 0 EDAERN Cc1sc2nc(NCCNc3cnccn3)n(C)c(=O)c2c1C ZINC000058171417 441155387 /nfs/dbraw/zinc/15/53/87/441155387.db2.gz QTIAOEWAFNWYKD-UHFFFAOYSA-N 0 0 330.417 1.926 10 0 EDAERN O=C(NCCC(=O)N1CCOCC1)N[C@H]1CCCc2ccccc21 ZINC000047622132 441211088 /nfs/dbraw/zinc/21/10/88/441211088.db2.gz NTDWGSZHGDDKQH-INIZCTEOSA-N 0 0 331.416 1.612 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2cc(-c3ccccc3)on2)C1 ZINC000105229681 441244536 /nfs/dbraw/zinc/24/45/36/441244536.db2.gz HVJNWIAZYAVFRA-OAHLLOKOSA-N 0 0 330.388 1.471 10 0 EDAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C)c1ccsc1 ZINC000061363624 441269982 /nfs/dbraw/zinc/26/99/82/441269982.db2.gz OPSQJVDTECLQKF-QMMMGPOBSA-N 0 0 329.403 1.687 10 0 EDAERN COc1cccc(OCC(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000105815076 441276787 /nfs/dbraw/zinc/27/67/87/441276787.db2.gz LNJNQKSWACTGMA-UHFFFAOYSA-N 0 0 342.399 1.967 10 0 EDAERN CCOCCN1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@@H]1C ZINC000105835015 441286923 /nfs/dbraw/zinc/28/69/23/441286923.db2.gz SIDJIZTWZITXHY-BBWFWOEESA-N 0 0 325.497 1.819 10 0 EDAERN Cc1ccc(-n2cc(C(=O)N3CCC[C@H](n4cncn4)C3)nn2)cc1 ZINC000105854443 441291899 /nfs/dbraw/zinc/29/18/99/441291899.db2.gz HBCVIWZDMQZQAQ-HNNXBMFYSA-N 0 0 337.387 1.645 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000106175912 441328232 /nfs/dbraw/zinc/32/82/32/441328232.db2.gz OBZTXOJXSANFIS-OAHLLOKOSA-N 0 0 341.415 1.831 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000106396427 441338145 /nfs/dbraw/zinc/33/81/45/441338145.db2.gz HBBCIGBTBSMGGU-SNVBAGLBSA-N 0 0 332.231 1.917 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CC1 ZINC000049086034 441344842 /nfs/dbraw/zinc/34/48/42/441344842.db2.gz FCTAXBHBKLNDFG-MRVPVSSYSA-N 0 0 344.820 1.597 10 0 EDAERN Cc1nc(CN2CCCN(Cc3cn4cccnc4n3)CC2)no1 ZINC000105866836 441297837 /nfs/dbraw/zinc/29/78/37/441297837.db2.gz HFCZVNXXFOBVFO-UHFFFAOYSA-N 0 0 327.392 1.129 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105868073 441298154 /nfs/dbraw/zinc/29/81/54/441298154.db2.gz KGUSVLAKMUZYEE-UHFFFAOYSA-N 0 0 333.436 1.576 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000105868821 441299068 /nfs/dbraw/zinc/29/90/68/441299068.db2.gz MYKXYYNXWHJZOD-UHFFFAOYSA-N 0 0 346.439 1.073 10 0 EDAERN COc1ccc(O)c(C(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000105868114 441299277 /nfs/dbraw/zinc/29/92/77/441299277.db2.gz OKZMZUASDBNTCI-UHFFFAOYSA-N 0 0 328.372 1.908 10 0 EDAERN COc1ccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105888817 441307657 /nfs/dbraw/zinc/30/76/57/441307657.db2.gz LLFSZTRWUQYWDO-INIZCTEOSA-N 0 0 330.388 1.231 10 0 EDAERN CC(C)CCC[C@@H](C)NC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105889222 441309179 /nfs/dbraw/zinc/30/91/79/441309179.db2.gz JIBAYTQLNLJLAU-SJORKVTESA-N 0 0 336.480 1.915 10 0 EDAERN CN(Cc1ccco1)C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917676 441316400 /nfs/dbraw/zinc/31/64/00/441316400.db2.gz ORXHRGGAQRWMLH-UHFFFAOYSA-N 0 0 345.447 1.179 10 0 EDAERN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CN(C)CCO2)c1Br ZINC000106912926 441389215 /nfs/dbraw/zinc/38/92/15/441389215.db2.gz RFLKGSHIPBWDRS-SECBINFHSA-N 0 0 345.241 1.356 10 0 EDAERN CCOc1cccc(N2CCN(C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000106936428 441393046 /nfs/dbraw/zinc/39/30/46/441393046.db2.gz ZYRVIRVXKFNOMG-OAHLLOKOSA-N 0 0 337.464 1.778 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCc2c(C)noc2C)C1 ZINC000107394733 441415876 /nfs/dbraw/zinc/41/58/76/441415876.db2.gz VFEAKNOAMRLBQZ-CQSZACIVSA-N 0 0 336.436 1.924 10 0 EDAERN CCCOc1ccc(CNC(=O)N2CCC[C@H](NC(C)=O)C2)cn1 ZINC000107756610 441428678 /nfs/dbraw/zinc/42/86/78/441428678.db2.gz IMFNWYWDMJDOCP-HNNXBMFYSA-N 0 0 334.420 1.681 10 0 EDAERN C[C@@H](CNC(=O)c1c[nH]nc1-c1ccccc1F)N1CCOCC1 ZINC000087087634 441480320 /nfs/dbraw/zinc/48/03/20/441480320.db2.gz WEMXUHDDFACUSA-LBPRGKRZSA-N 0 0 332.379 1.666 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn(-c2ccccc2)n1 ZINC000087563349 441493724 /nfs/dbraw/zinc/49/37/24/441493724.db2.gz ZTLMZVQAHIKZRM-ZDUSSCGKSA-N 0 0 337.387 1.686 10 0 EDAERN C[C@H]1CCCN(c2cc(NCC(C)(C)NS(C)(=O)=O)ncn2)C1 ZINC000109321803 441495628 /nfs/dbraw/zinc/49/56/28/441495628.db2.gz LWWKSNNWXBKTPF-LBPRGKRZSA-N 0 0 341.481 1.453 10 0 EDAERN O=S(=O)(NC[C@H]1CCC[C@H]1O)c1cnc(Cl)c(Cl)c1 ZINC000089169728 441528147 /nfs/dbraw/zinc/52/81/47/441528147.db2.gz GXYREISDTUKEAX-GMSGAONNSA-N 0 0 325.217 1.828 10 0 EDAERN Cc1ccc(CC(=O)N2CCCN(c3cccnn3)CC2)cc1O ZINC000089440319 441551648 /nfs/dbraw/zinc/55/16/48/441551648.db2.gz RZRIUGKTQKFGBQ-UHFFFAOYSA-N 0 0 326.400 1.772 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1cccc(F)c1 ZINC000088296949 441503260 /nfs/dbraw/zinc/50/32/60/441503260.db2.gz JSEXHBCOVJNYQP-CYBMUJFWSA-N 0 0 345.378 1.361 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000088380246 441505772 /nfs/dbraw/zinc/50/57/72/441505772.db2.gz VTWDRDWTZZSBMT-LBPRGKRZSA-N 0 0 346.366 1.735 10 0 EDAERN CC[C@@](C)(O)CNC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000075226154 441510850 /nfs/dbraw/zinc/51/08/50/441510850.db2.gz JYTRDIWXQRBTNW-MAUKXSAKSA-N 0 0 336.432 1.727 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000075979258 441574749 /nfs/dbraw/zinc/57/47/49/441574749.db2.gz YQGTURSUYXNZFX-DOMZBBRYSA-N 0 0 337.445 1.679 10 0 EDAERN CCOC(=O)c1ccc(N2CCN(C(=O)N[C@H]3C[C@@H]3C)CC2)nc1 ZINC000075981832 441575288 /nfs/dbraw/zinc/57/52/88/441575288.db2.gz VQXLQJJFWOWHGV-JSGCOSHPSA-N 0 0 332.404 1.498 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000113141636 441584339 /nfs/dbraw/zinc/58/43/39/441584339.db2.gz AEIRSJKHGIGQKX-IAQYHMDHSA-N 0 0 346.408 1.687 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC000034334516 441599421 /nfs/dbraw/zinc/59/94/21/441599421.db2.gz IGNOXKOLEZVMMV-NFAWXSAZSA-N 0 0 343.431 1.668 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc2c1N=S=N2 ZINC000113298578 441599939 /nfs/dbraw/zinc/59/99/39/441599939.db2.gz WOXGBBGBDNWXLN-MRVPVSSYSA-N 0 0 336.402 1.298 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000113298864 441599977 /nfs/dbraw/zinc/59/99/77/441599977.db2.gz OKKOJVIHKFQYCC-QMMMGPOBSA-N 0 0 347.227 1.878 10 0 EDAERN C[C@H](NC(=O)NCCN1C(=O)CCC1=O)c1ccc(F)c(Cl)c1 ZINC000113972169 441629056 /nfs/dbraw/zinc/62/90/56/441629056.db2.gz WPDKAMRIQHYJCH-VIFPVBQESA-N 0 0 341.770 1.988 10 0 EDAERN CN1CCO[C@H](CNC(=O)N(CCc2cccc(F)c2)C2CC2)C1 ZINC000114026975 441630644 /nfs/dbraw/zinc/63/06/44/441630644.db2.gz QYEGHPMUPDYDHQ-QGZVFWFLSA-N 0 0 335.423 1.873 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)N1CCOCC1 ZINC000041600624 441662783 /nfs/dbraw/zinc/66/27/83/441662783.db2.gz QMFUIQFNBBTXBL-NSHDSACASA-N 0 0 325.796 1.115 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000173339344 441717521 /nfs/dbraw/zinc/71/75/21/441717521.db2.gz ZLSDDCOXSWDBMC-AEFFLSMTSA-N 0 0 349.475 1.738 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C)CC2 ZINC000114874587 441694389 /nfs/dbraw/zinc/69/43/89/441694389.db2.gz PBRUCVZTQLNZBV-LBPRGKRZSA-N 0 0 338.408 1.581 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(NC(C)=O)cc1)CC2 ZINC000114900364 441695054 /nfs/dbraw/zinc/69/50/54/441695054.db2.gz NJXIAFVXLBOHRS-AWEZNQCLSA-N 0 0 342.403 1.935 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000091188334 441670364 /nfs/dbraw/zinc/67/03/64/441670364.db2.gz OJLBMMRCKNTABE-OAHLLOKOSA-N 0 0 339.395 1.826 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccnc1Br)[C@H]1CCCO1 ZINC000091194648 441672238 /nfs/dbraw/zinc/67/22/38/441672238.db2.gz GCWXXSVFFTZGFZ-WCBMZHEXSA-N 0 0 342.193 1.466 10 0 EDAERN COCCN(C(=O)N[C@@H](C)c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000091206220 441675304 /nfs/dbraw/zinc/67/53/04/441675304.db2.gz KTTRVCKXYBZQDZ-STQMWFEESA-N 0 0 344.433 1.494 10 0 EDAERN CC(C)N1CC[C@@H](NC(=O)[C@H](C)NC(=O)Nc2ccccc2)C1=O ZINC000114697021 441676455 /nfs/dbraw/zinc/67/64/55/441676455.db2.gz QWVUYWRQMKYIKB-GXTWGEPZSA-N 0 0 332.404 1.322 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000173338703 441717265 /nfs/dbraw/zinc/71/72/65/441717265.db2.gz RKLCIITUNUURIF-HNNXBMFYSA-N 0 0 331.424 1.528 10 0 EDAERN O=C(c1cccc(-n2cncn2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000115380477 441732939 /nfs/dbraw/zinc/73/29/39/441732939.db2.gz LXMZTDNBESVGJH-INIZCTEOSA-N 0 0 338.371 1.005 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2oc(C)nc2C)ncn1 ZINC000173418610 441743252 /nfs/dbraw/zinc/74/32/52/441743252.db2.gz IROMRRQAPAPUCZ-LBPRGKRZSA-N 0 0 330.392 1.522 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H](O)c3ccccc3)C2=O)n(C)n1 ZINC000173450309 441755118 /nfs/dbraw/zinc/75/51/18/441755118.db2.gz AFSQBWNCNUSRBG-HOCLYGCPSA-N 0 0 342.399 1.074 10 0 EDAERN Cc1nn(C)c(C)c1CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000173465627 441759981 /nfs/dbraw/zinc/75/99/81/441759981.db2.gz LESPXBGAYBCPFV-UHFFFAOYSA-N 0 0 330.436 1.855 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000077148143 441723829 /nfs/dbraw/zinc/72/38/29/441723829.db2.gz UQLRBAOWUSIJEX-MLGOLLRUSA-N 0 0 345.374 1.653 10 0 EDAERN O=C(c1ccccc1Cn1cncn1)N1CCN2CCCC[C@@H]2C1 ZINC000173366348 441725707 /nfs/dbraw/zinc/72/57/07/441725707.db2.gz UFNIAPYDOUYZJN-MRXNPFEDSA-N 0 0 325.416 1.637 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(-c4ncon4)cc3)CCO2)[nH]1 ZINC000173519591 441776965 /nfs/dbraw/zinc/77/69/65/441776965.db2.gz YNUUBTGJWLNKNN-ZDUSSCGKSA-N 0 0 340.343 1.377 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173533104 441782425 /nfs/dbraw/zinc/78/24/25/441782425.db2.gz JPNLKTFDMIZEOY-ZDUSSCGKSA-N 0 0 336.779 1.745 10 0 EDAERN Cn1cc(-c2nc3c(cnn3C)c(Nc3ccc(C(N)=O)cc3)n2)cn1 ZINC000138045895 441783014 /nfs/dbraw/zinc/78/30/14/441783014.db2.gz DZRQNNPXQUCIHF-UHFFFAOYSA-N 0 0 348.370 1.606 10 0 EDAERN C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1Br ZINC000042813412 441789032 /nfs/dbraw/zinc/78/90/32/441789032.db2.gz ROFTXXOMFPWQMC-XVKPBYJWSA-N 0 0 340.177 1.224 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(C)c(OC)c3)CCO2)[nH]1 ZINC000173582054 441798583 /nfs/dbraw/zinc/79/85/83/441798583.db2.gz HWGNTVNREBBUNY-CQSZACIVSA-N 0 0 330.388 1.898 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CCc3ccc(OC)cc3)CCO2)[nH]1 ZINC000173582898 441799188 /nfs/dbraw/zinc/79/91/88/441799188.db2.gz IFZBHLRBWYSQJZ-OAHLLOKOSA-N 0 0 344.415 1.908 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3c[nH]nc3-c3ccccc3)CCO2)[nH]1 ZINC000173602354 441802201 /nfs/dbraw/zinc/80/22/01/441802201.db2.gz USCZUIFUIHJVIN-CQSZACIVSA-N 0 0 338.371 1.717 10 0 EDAERN CCOc1ccc(NC(=O)CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000139290955 441810715 /nfs/dbraw/zinc/81/07/15/441810715.db2.gz WVEOAAYEKGMCNT-OAHLLOKOSA-N 0 0 348.447 1.807 10 0 EDAERN Cc1ccc(CNC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)cc1F ZINC000116317720 441810671 /nfs/dbraw/zinc/81/06/71/441810671.db2.gz HKZQELFGUNGBCU-OAHLLOKOSA-N 0 0 330.407 1.973 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)N(C3CC3)C3CCCC3)CCO2)[nH]1 ZINC000173671436 441821589 /nfs/dbraw/zinc/82/15/89/441821589.db2.gz XKRPKAFEDFTEIZ-OAHLLOKOSA-N 0 0 333.436 1.420 10 0 EDAERN CCc1nc(C2(NCC(=O)NC(=O)NCC(C)C)CCCC2)no1 ZINC000173699426 441825531 /nfs/dbraw/zinc/82/55/31/441825531.db2.gz QNMBEMOMUVFYKF-UHFFFAOYSA-N 0 0 337.424 1.473 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)C1 ZINC000116739824 441839695 /nfs/dbraw/zinc/83/96/95/441839695.db2.gz GIIPAROTUPBSPC-VQIMIIECSA-N 0 0 345.443 1.128 10 0 EDAERN Cc1nccn1-c1cncc(N2CCC(N3CCCCC3=O)CC2)n1 ZINC000092922583 441840975 /nfs/dbraw/zinc/84/09/75/441840975.db2.gz DYILISUFSCRYCU-UHFFFAOYSA-N 0 0 340.431 1.952 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(CO)CC2)C1 ZINC000124957124 441969831 /nfs/dbraw/zinc/96/98/31/441969831.db2.gz PAJZLVJWJYBQIS-KGLIPLIRSA-N 0 0 326.437 1.911 10 0 EDAERN Cc1ccc([C@H]2CCCCN2CC(=O)NCC(=O)N2CCCC2)o1 ZINC000124767643 441950883 /nfs/dbraw/zinc/95/08/83/441950883.db2.gz HNPZKSMARPHEKZ-OAHLLOKOSA-N 0 0 333.432 1.854 10 0 EDAERN O=Cc1cccc(OCC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000161369168 441991573 /nfs/dbraw/zinc/99/15/73/441991573.db2.gz CVAOOSAAPHDGCS-QGZVFWFLSA-N 0 0 326.352 1.953 10 0 EDAERN CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCCN(C(C)C)C2=O)ncn1 ZINC000175016451 441995520 /nfs/dbraw/zinc/99/55/20/441995520.db2.gz ZRGNHHPVBQAQBE-LSDHHAIUSA-N 0 0 346.479 1.476 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(COC)ncn1 ZINC000151248990 442031555 /nfs/dbraw/zinc/03/15/55/442031555.db2.gz WPIVPQDGDVQXGJ-NSHDSACASA-N 0 0 331.380 1.434 10 0 EDAERN O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000151337953 442044504 /nfs/dbraw/zinc/04/45/04/442044504.db2.gz QUWJGISYSXCBMS-HZPDHXFCSA-N 0 0 347.459 1.152 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000151396969 442055120 /nfs/dbraw/zinc/05/51/20/442055120.db2.gz VJDGPFVMZUVUFI-OAHLLOKOSA-N 0 0 331.420 1.612 10 0 EDAERN CC(C)Cn1ccnc1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000175468717 442067869 /nfs/dbraw/zinc/06/78/69/442067869.db2.gz ABFWBBPTWQPHDA-HNNXBMFYSA-N 0 0 346.435 1.346 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC1(C)CCCC1 ZINC000120434534 442071539 /nfs/dbraw/zinc/07/15/39/442071539.db2.gz IJZAKMSIVWXKAW-GFCCVEGCSA-N 0 0 349.456 1.810 10 0 EDAERN Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C)O3)CC2)cc1 ZINC000151499319 442073258 /nfs/dbraw/zinc/07/32/58/442073258.db2.gz HSSJGRCEQVEUOH-RDJZCZTQSA-N 0 0 330.428 1.776 10 0 EDAERN C[C@@H](NC(=O)N(C)C[C@@H](O)CN1CCOCC1)c1cccs1 ZINC000175626079 442095598 /nfs/dbraw/zinc/09/55/98/442095598.db2.gz VHSNXLIUHIPIJT-CHWSQXEVSA-N 0 0 327.450 1.144 10 0 EDAERN CN(C)C(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000151531049 442079205 /nfs/dbraw/zinc/07/92/05/442079205.db2.gz IEVJWQTVBTUVGX-LBPRGKRZSA-N 0 0 331.338 1.938 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)CCO2)c1 ZINC000151876759 442133174 /nfs/dbraw/zinc/13/31/74/442133174.db2.gz YHRUVMJNPYNVKK-RDJZCZTQSA-N 0 0 345.374 1.562 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCc3ccc([S@@](C)=O)cc3)C2)cn1 ZINC000175703093 442108528 /nfs/dbraw/zinc/10/85/28/442108528.db2.gz ZOMMDTOFLLDHFU-LFPIHBKWSA-N 0 0 346.456 1.857 10 0 EDAERN Cn1c(=O)oc2c1cccc2C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000163472410 442168826 /nfs/dbraw/zinc/16/88/26/442168826.db2.gz IDRRFTBYVPNCGX-NSHDSACASA-N 0 0 327.344 1.200 10 0 EDAERN Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2nccs2)ccc1=O ZINC000127081892 442168971 /nfs/dbraw/zinc/16/89/71/442168971.db2.gz WNNASHLQGQUEJJ-GFCCVEGCSA-N 0 0 346.412 1.534 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc2n[nH]c(C)c2c1 ZINC000127149670 442176143 /nfs/dbraw/zinc/17/61/43/442176143.db2.gz LEXVUXCNAHSEEO-GFCCVEGCSA-N 0 0 341.375 1.269 10 0 EDAERN O=C(Nc1cccc(SC(F)F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121117512 442178413 /nfs/dbraw/zinc/17/84/13/442178413.db2.gz QULTWSQESWTYIQ-SNVBAGLBSA-N 0 0 330.356 1.923 10 0 EDAERN CC(C)OCCCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000152266051 442190291 /nfs/dbraw/zinc/19/02/91/442190291.db2.gz OXJUUCOAEJZQDJ-ZBFHGGJFSA-N 0 0 340.464 1.724 10 0 EDAERN CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000127301577 442191090 /nfs/dbraw/zinc/19/10/90/442191090.db2.gz MLQNOPRTANFDLU-HOCLYGCPSA-N 0 0 339.457 1.690 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C)oc3c2)C1 ZINC000121283276 442199189 /nfs/dbraw/zinc/19/91/89/442199189.db2.gz YAGJKIAUKMEMOV-ZDUSSCGKSA-N 0 0 344.371 1.202 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)[C@@H]1c1ccccc1 ZINC000176019737 442162334 /nfs/dbraw/zinc/16/23/34/442162334.db2.gz IVPDATKVAJHJKV-ZDRJDWQYSA-N 0 0 328.412 1.649 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)cn1 ZINC000121008947 442164972 /nfs/dbraw/zinc/16/49/72/442164972.db2.gz BZWBJBOVDIPVSS-CQSZACIVSA-N 0 0 348.447 1.236 10 0 EDAERN O=C(CCc1nc(-c2ccoc2)no1)N1CCC[C@@H](n2cncn2)C1 ZINC000121340485 442205724 /nfs/dbraw/zinc/20/57/24/442205724.db2.gz HSQQGVDQRHFJNT-CYBMUJFWSA-N 0 0 342.359 1.717 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccccc1F ZINC000152459807 442215676 /nfs/dbraw/zinc/21/56/76/442215676.db2.gz CFRNLUYJIOMWFP-CYBMUJFWSA-N 0 0 333.367 1.898 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)[C@H](C)CC(C)C ZINC000176392492 442217932 /nfs/dbraw/zinc/21/79/32/442217932.db2.gz KNVQJFFVHONVCX-CYBMUJFWSA-N 0 0 329.466 1.711 10 0 EDAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H](Oc2cccnc2)C1 ZINC000152505024 442220180 /nfs/dbraw/zinc/22/01/80/442220180.db2.gz MNLDBLGVELPZEV-JSGCOSHPSA-N 0 0 334.420 1.548 10 0 EDAERN Cc1cccc2c(CCNC(=O)NC[C@H]3CN(C)CCO3)c[nH]c21 ZINC000176432509 442221262 /nfs/dbraw/zinc/22/12/62/442221262.db2.gz BISUXXLHPWHCDN-HNNXBMFYSA-N 0 0 330.432 1.649 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)CCn1cncn1 ZINC000176521664 442230632 /nfs/dbraw/zinc/23/06/32/442230632.db2.gz DHSXRBLRPJWVNS-AWEZNQCLSA-N 0 0 349.460 1.262 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(=O)[nH]c1 ZINC000176532550 442231686 /nfs/dbraw/zinc/23/16/86/442231686.db2.gz HERQLKOJMITRHI-AWEZNQCLSA-N 0 0 347.440 1.994 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000170518322 442232647 /nfs/dbraw/zinc/23/26/47/442232647.db2.gz USTXQDAQHQIXFP-NWDGAFQWSA-N 0 0 344.367 1.083 10 0 EDAERN COc1ccccc1CN(CCO)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176591451 442238381 /nfs/dbraw/zinc/23/83/81/442238381.db2.gz RHCUCGIPOXBJNF-CQSZACIVSA-N 0 0 345.403 1.326 10 0 EDAERN O=C(N1CCN(C[C@H](O)c2ccccc2)CC1)C1(O)CCCCC1 ZINC000128143830 442248336 /nfs/dbraw/zinc/24/83/36/442248336.db2.gz YBOCOOBZLYSFJN-KRWDZBQOSA-N 0 0 332.444 1.559 10 0 EDAERN C[C@@H](CNC(=O)c1cnc(-c2ccccn2)s1)N1CCOCC1 ZINC000170779198 442262476 /nfs/dbraw/zinc/26/24/76/442262476.db2.gz NIIGNGJUGXXRKV-LBPRGKRZSA-N 0 0 332.429 1.656 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1ccccc1 ZINC000153182805 442266219 /nfs/dbraw/zinc/26/62/19/442266219.db2.gz CHLJDKHTVMSOSF-UONOGXRCSA-N 0 0 345.403 1.292 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000170805938 442266406 /nfs/dbraw/zinc/26/64/06/442266406.db2.gz ORIDOOHLPAYAGJ-HIFRSBDPSA-N 0 0 337.445 1.501 10 0 EDAERN C[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)c1nnc2n1CCCC2 ZINC000153245116 442269999 /nfs/dbraw/zinc/26/99/99/442269999.db2.gz USVATMDJUJEGQT-BZNIZROVSA-N 0 0 333.392 1.475 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)C[C@@H]1N1CCOCC1 ZINC000176995744 442282000 /nfs/dbraw/zinc/28/20/00/442282000.db2.gz IUGYZKHVJRNIQD-YPMHNXCESA-N 0 0 346.399 1.306 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCCn3cccn3)C2)no1 ZINC000170889983 442284068 /nfs/dbraw/zinc/28/40/68/442284068.db2.gz CATFPBNNBZIBMH-AWEZNQCLSA-N 0 0 332.408 1.629 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)c1 ZINC000177026922 442288041 /nfs/dbraw/zinc/28/80/41/442288041.db2.gz KAKZCWAQSUIYNR-UHFFFAOYSA-N 0 0 349.822 1.666 10 0 EDAERN CN1CCO[C@H](CNC(=O)N[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000170924204 442289357 /nfs/dbraw/zinc/28/93/57/442289357.db2.gz ZWJWMEYZHSXXEG-MSOLQXFVSA-N 0 0 340.427 1.801 10 0 EDAERN COc1ccc(C(F)(F)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000153745393 442300345 /nfs/dbraw/zinc/30/03/45/442300345.db2.gz ZKMAZIWAFXPNSQ-CQSZACIVSA-N 0 0 340.370 1.720 10 0 EDAERN C[C@@H](C(=O)Nc1cccc(F)c1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177270842 442322930 /nfs/dbraw/zinc/32/29/30/442322930.db2.gz OTRXQFJKTQZADQ-KEYYUXOJSA-N 0 0 335.423 1.805 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(N)=O)s1 ZINC000171196568 442326469 /nfs/dbraw/zinc/32/64/69/442326469.db2.gz UMFCRLBQBBNZON-DCAQKATOSA-N 0 0 336.413 1.793 10 0 EDAERN Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)c1 ZINC000177338717 442329896 /nfs/dbraw/zinc/32/98/96/442329896.db2.gz YLBPPRVDMRGFQL-MRXNPFEDSA-N 0 0 340.431 1.953 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000171287389 442339182 /nfs/dbraw/zinc/33/91/82/442339182.db2.gz KSZINXQLBRSOSV-CQSZACIVSA-N 0 0 327.384 1.102 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cnc(Cc3ccccc3)s2)C1 ZINC000130275530 442342581 /nfs/dbraw/zinc/34/25/81/442342581.db2.gz JWTJZVAXKJGWIX-AWEZNQCLSA-N 0 0 331.441 1.794 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1F ZINC000130650410 442352613 /nfs/dbraw/zinc/35/26/13/442352613.db2.gz QNZXXLLLRIZPBT-RISCZKNCSA-N 0 0 338.379 1.830 10 0 EDAERN O=C(Nc1ccccc1F)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177519452 442352614 /nfs/dbraw/zinc/35/26/14/442352614.db2.gz NCHKXVYSVFATIV-LBPRGKRZSA-N 0 0 335.360 1.821 10 0 EDAERN Cc1nnc([C@H]2CN(CCC(=O)Nc3cc(N)ccc3F)CCO2)[nH]1 ZINC000177160502 442307604 /nfs/dbraw/zinc/30/76/04/442307604.db2.gz FDIWDPGYTBAVQL-CQSZACIVSA-N 0 0 348.382 1.237 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000177184825 442310829 /nfs/dbraw/zinc/31/08/29/442310829.db2.gz MMGZBMDEUWKDEH-MRXNPFEDSA-N 0 0 347.463 1.814 10 0 EDAERN CCC[C@H](C)CS(=O)(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000129409902 442315140 /nfs/dbraw/zinc/31/51/40/442315140.db2.gz MQKDHHLKXGRNBB-RYUDHWBXSA-N 0 0 330.454 1.615 10 0 EDAERN C[C@@H]1CN(Cc2nccn2CC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177234018 442317276 /nfs/dbraw/zinc/31/72/76/442317276.db2.gz LAPWFOTVWSFUHN-OLZOCXBDSA-N 0 0 332.370 1.598 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)no1 ZINC000171759527 442378276 /nfs/dbraw/zinc/37/82/76/442378276.db2.gz RVKNZWAXTHRKPN-UHFFFAOYSA-N 0 0 332.408 1.573 10 0 EDAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177745197 442378339 /nfs/dbraw/zinc/37/83/39/442378339.db2.gz WJCHJPDRSMFOTI-CHWSQXEVSA-N 0 0 332.429 1.754 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)no1 ZINC000171787908 442381289 /nfs/dbraw/zinc/38/12/89/442381289.db2.gz AXKCCZHYSDFVCP-MRXNPFEDSA-N 0 0 342.399 1.416 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1Cc3cc(F)ccc3O1)CC2 ZINC000131968847 442384455 /nfs/dbraw/zinc/38/44/55/442384455.db2.gz XVEGBNHYRXANSF-ZFWWWQNUSA-N 0 0 344.390 1.975 10 0 EDAERN O=C(CCCCN1CCOCC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000178024816 442402202 /nfs/dbraw/zinc/40/22/02/442402202.db2.gz NHGLMGXQAHWPTB-KRWDZBQOSA-N 0 0 333.432 1.564 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc(N2CCCC2=O)ccc1F ZINC000177559422 442357017 /nfs/dbraw/zinc/35/70/17/442357017.db2.gz SLPIYJUEANKYMU-CQSZACIVSA-N 0 0 343.362 1.809 10 0 EDAERN Cc1nc(CCCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cs1 ZINC000177565753 442357677 /nfs/dbraw/zinc/35/76/77/442357677.db2.gz SNZCMICEGJZAGZ-XJKSGUPXSA-N 0 0 337.489 1.953 10 0 EDAERN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177568588 442358187 /nfs/dbraw/zinc/35/81/87/442358187.db2.gz KUSKHMIQWAQRFN-PUZDAVHHSA-N 0 0 349.460 1.487 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCC(=O)N1CCCCC1 ZINC000172068511 442405831 /nfs/dbraw/zinc/40/58/31/442405831.db2.gz PCYMBBAUDPGGBO-HNNXBMFYSA-N 0 0 347.463 1.896 10 0 EDAERN CCOc1cc(Cl)ccc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000155545090 442406925 /nfs/dbraw/zinc/40/69/25/442406925.db2.gz JAVMZNFHOMMVRX-CQSZACIVSA-N 0 0 341.839 1.869 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000178139481 442410289 /nfs/dbraw/zinc/41/02/89/442410289.db2.gz YJGYMQADRPYOQQ-GXFFZTMASA-N 0 0 331.821 1.797 10 0 EDAERN O=C(N[C@@H]1CCCOC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172134727 442413057 /nfs/dbraw/zinc/41/30/57/442413057.db2.gz UNMHJTIVGOHDIO-SJORKVTESA-N 0 0 333.432 1.226 10 0 EDAERN C[C@@H](NS(=O)(=O)Cc1ccccc1F)c1nnc2n1CCCC2 ZINC000178373934 442428778 /nfs/dbraw/zinc/42/87/78/442428778.db2.gz TXBVNOAKDKWLMU-LLVKDONJSA-N 0 0 338.408 1.934 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(OC)cc1)CC2 ZINC000172262714 442432071 /nfs/dbraw/zinc/43/20/71/442432071.db2.gz JXJSYQHCRKJQCQ-CYBMUJFWSA-N 0 0 329.404 1.663 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178432931 442433417 /nfs/dbraw/zinc/43/34/17/442433417.db2.gz YXMAXVSBPDHSCL-CQSZACIVSA-N 0 0 334.420 1.006 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)CC1CCCCC1)C(C)C ZINC000178448648 442434875 /nfs/dbraw/zinc/43/48/75/442434875.db2.gz SGMHRDXXIYQLND-OAHLLOKOSA-N 0 0 340.468 1.143 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccccc2N2CCOCC2)c1 ZINC000172282718 442434940 /nfs/dbraw/zinc/43/49/40/442434940.db2.gz TXIJQIAUWNOYID-UHFFFAOYSA-N 0 0 343.431 1.528 10 0 EDAERN O=C(NCCNC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000155921338 442436500 /nfs/dbraw/zinc/43/65/00/442436500.db2.gz GKQMLQMEHYDJST-UHFFFAOYSA-N 0 0 341.415 1.729 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cc1ccccc1Br)C(C)C ZINC000178698119 442457950 /nfs/dbraw/zinc/45/79/50/442457950.db2.gz FLQXQSVYMZFNGD-CYBMUJFWSA-N 0 0 327.222 1.878 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000172326802 442444648 /nfs/dbraw/zinc/44/46/48/442444648.db2.gz KDFGIDSCEDECTC-ZDUSSCGKSA-N 0 0 339.411 1.696 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCCC3(C1)OCCO3)CC2 ZINC000133995237 442444821 /nfs/dbraw/zinc/44/48/21/442444821.db2.gz OKFTUDFDYZQUFU-CYBMUJFWSA-N 0 0 349.435 1.265 10 0 EDAERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000178662654 442453832 /nfs/dbraw/zinc/45/38/32/442453832.db2.gz YIHLGJSNLOPYPF-IAGOWNOFSA-N 0 0 335.448 1.391 10 0 EDAERN CCCc1cc(NC(=O)N[C@H]2CCc3nc(CC)nn3C2)n(C)n1 ZINC000179669094 442487519 /nfs/dbraw/zinc/48/75/19/442487519.db2.gz MHKAALOJOHTSNV-LBPRGKRZSA-N 0 0 331.424 1.663 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NOCc1ccc(F)cc1)CC2 ZINC000186219032 442489364 /nfs/dbraw/zinc/48/93/64/442489364.db2.gz DWADNMCOSJJNBB-ZDUSSCGKSA-N 0 0 333.367 1.725 10 0 EDAERN CCc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1S(C)(=O)=O ZINC000179753104 442497849 /nfs/dbraw/zinc/49/78/49/442497849.db2.gz NUSAODWICMCPLK-OAHLLOKOSA-N 0 0 336.457 1.573 10 0 EDAERN O=S(=O)(N[C@H]1CCOc2ccccc21)c1cnn(CC(F)F)c1 ZINC000186255112 442497913 /nfs/dbraw/zinc/49/79/13/442497913.db2.gz OLMQBGJLLGPXGY-LBPRGKRZSA-N 0 0 343.355 1.950 10 0 EDAERN CC(=O)NC1CN(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000191730488 442500446 /nfs/dbraw/zinc/50/04/46/442500446.db2.gz ZVFCYQWXUKZSDZ-BZNIZROVSA-N 0 0 326.824 1.599 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCOC[C@H]3CCCO3)CCO2)cn1 ZINC000191730832 442501160 /nfs/dbraw/zinc/50/11/60/442501160.db2.gz CREFPAFMLHMVND-HZPDHXFCSA-N 0 0 337.420 1.389 10 0 EDAERN CNC(=O)[C@H](NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)C(C)C ZINC000178854223 442503770 /nfs/dbraw/zinc/50/37/70/442503770.db2.gz RWQASGGAVQYXOZ-SJLPKXTDSA-N 0 0 347.459 1.164 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191761827 442506049 /nfs/dbraw/zinc/50/60/49/442506049.db2.gz SBTOZIBPFWVSLT-OAHLLOKOSA-N 0 0 336.436 1.499 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)COc3ccccc3C=O)CCO2)cn1 ZINC000191761435 442506421 /nfs/dbraw/zinc/50/64/21/442506421.db2.gz QVBTZXYJAFWJLY-KRWDZBQOSA-N 0 0 343.383 1.694 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000156427877 442479924 /nfs/dbraw/zinc/47/99/24/442479924.db2.gz QLXXHXGECOISMK-GXSJLCMTSA-N 0 0 332.372 1.902 10 0 EDAERN O=C(c1cc(-c2cccs2)on1)N1CC[C@H](N2CCOCC2)C1 ZINC000172760621 442536847 /nfs/dbraw/zinc/53/68/47/442536847.db2.gz NSKABIXHOYHBIW-LBPRGKRZSA-N 0 0 333.413 1.950 10 0 EDAERN COc1ccc(-n2nc(C(=O)NC[C@@H]3CN(C)CCO3)cc2C)cc1 ZINC000180073065 442537265 /nfs/dbraw/zinc/53/72/65/442537265.db2.gz NNDFRWNZLMBFTH-MRXNPFEDSA-N 0 0 344.415 1.250 10 0 EDAERN CC(C)Oc1cccc(CC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172764212 442538223 /nfs/dbraw/zinc/53/82/23/442538223.db2.gz MHZXEQDIGKRNNM-KRWDZBQOSA-N 0 0 332.444 1.949 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(Br)c(O)c1 ZINC000157003991 442541217 /nfs/dbraw/zinc/54/12/17/442541217.db2.gz UOFXALRWRGWJAT-VIFPVBQESA-N 0 0 337.177 1.491 10 0 EDAERN C/C(=C\C(=O)N1CCOC[C@H]1C(N)=O)c1ccccc1C(F)(F)F ZINC000180211206 442559132 /nfs/dbraw/zinc/55/91/32/442559132.db2.gz GHNZAMSMZXGFFV-FROQITRMSA-N 0 0 342.317 1.821 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000180196327 442557269 /nfs/dbraw/zinc/55/72/69/442557269.db2.gz UIRRLPATTOHSGE-GWCFXTLKSA-N 0 0 344.371 1.128 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C[C@@H](O)c3cccc(F)c3)CCO2)c1 ZINC000179843302 442511795 /nfs/dbraw/zinc/51/17/95/442511795.db2.gz FQEGDDZUYIPKQD-DLBZAZTESA-N 0 0 347.390 1.682 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2sccc2Br)C1 ZINC000134689151 442511953 /nfs/dbraw/zinc/51/19/53/442511953.db2.gz ZWIHAVCUWNQTOW-SECBINFHSA-N 0 0 333.251 1.961 10 0 EDAERN CSc1nsc(NC(=O)N[C@@H]2CCCn3nc(C)nc32)n1 ZINC000156755466 442516778 /nfs/dbraw/zinc/51/67/78/442516778.db2.gz FSOIPYSWGRSENC-SSDOTTSWSA-N 0 0 325.423 1.817 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000135113593 442557680 /nfs/dbraw/zinc/55/76/80/442557680.db2.gz CCPYDTRBHCQPBS-HNNXBMFYSA-N 0 0 333.436 1.316 10 0 EDAERN O=C(CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F)Nc1nncs1 ZINC000178903869 442521255 /nfs/dbraw/zinc/52/12/55/442521255.db2.gz SVERTOVNDWSLKP-SKDRFNHKSA-N 0 0 340.355 1.563 10 0 EDAERN Cc1cc(C)c(OCC(=O)N2CC[C@H](N3CCOCC3)C2)c(C)c1 ZINC000172748713 442532981 /nfs/dbraw/zinc/53/29/81/442532981.db2.gz WDFBPHLQMKVSHS-KRWDZBQOSA-N 0 0 332.444 1.924 10 0 EDAERN CCSCc1cc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)no1 ZINC000186602650 442569664 /nfs/dbraw/zinc/56/96/64/442569664.db2.gz GLQINMYDGQAZAD-GFCCVEGCSA-N 0 0 338.389 1.833 10 0 EDAERN C[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nnc2n1CCCC2 ZINC000135235517 442571293 /nfs/dbraw/zinc/57/12/93/442571293.db2.gz GIWBMESQBYROCS-GFCCVEGCSA-N 0 0 337.387 1.686 10 0 EDAERN Cc1cccc(-c2cncc(C(=O)N3CCOC[C@H]3C(N)=O)c2)c1 ZINC000180275648 442572163 /nfs/dbraw/zinc/57/21/63/442572163.db2.gz MUTGGYBNCJLFKO-INIZCTEOSA-N 0 0 325.368 1.383 10 0 EDAERN CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000180315707 442580678 /nfs/dbraw/zinc/58/06/78/442580678.db2.gz NZNVOKDJJZPZGE-SWLSCSKDSA-N 0 0 340.445 1.847 10 0 EDAERN CCc1nn(C)cc1C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000180325516 442581281 /nfs/dbraw/zinc/58/12/81/442581281.db2.gz QDXAKVIULPNJPO-LBPRGKRZSA-N 0 0 343.435 1.213 10 0 EDAERN Cc1ccc(CC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1O ZINC000180333444 442582419 /nfs/dbraw/zinc/58/24/19/442582419.db2.gz XVZDVOQVVXVDJR-UHFFFAOYSA-N 0 0 342.443 1.711 10 0 EDAERN CC(C)[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)C(N)=O ZINC000135339236 442582708 /nfs/dbraw/zinc/58/27/08/442582708.db2.gz NIKBKPPEVDOLHM-SWLSCSKDSA-N 0 0 329.404 1.742 10 0 EDAERN CCN(C[C@@H](O)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000157431702 442583261 /nfs/dbraw/zinc/58/32/61/442583261.db2.gz GGSOJQPUHDXLFF-JKSUJKDBSA-N 0 0 327.446 1.073 10 0 EDAERN CCc1cc2oc(=O)cc(CN3C[C@@H](O)C[C@@H]3CO)c2cc1Cl ZINC000179185323 442592928 /nfs/dbraw/zinc/59/29/28/442592928.db2.gz VBAFCGUXNFIOHV-OLZOCXBDSA-N 0 0 337.803 1.936 10 0 EDAERN CCc1ncc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)s1 ZINC000173067820 442598096 /nfs/dbraw/zinc/59/80/96/442598096.db2.gz JBJHYGOZZMEZBJ-NSHDSACASA-N 0 0 347.444 1.673 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cccc(Cl)n3)C2=O)n(C)n1 ZINC000173067923 442598492 /nfs/dbraw/zinc/59/84/92/442598492.db2.gz DJQYSUYHRZXZJU-LBPRGKRZSA-N 0 0 347.806 1.702 10 0 EDAERN CN1C(=O)CC[C@@H](Nc2ccnc3cc(Br)cnc32)C1=O ZINC000135524184 442606543 /nfs/dbraw/zinc/60/65/43/442606543.db2.gz KWVHGORHWMFNFX-SNVBAGLBSA-N 0 0 349.188 1.952 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000180249352 442565738 /nfs/dbraw/zinc/56/57/38/442565738.db2.gz XEZGVVUNSXLHKE-CJNGLKHVSA-N 0 0 349.406 1.252 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C)c1F ZINC000180705744 442650748 /nfs/dbraw/zinc/65/07/48/442650748.db2.gz XLUCQWXFNOKWAJ-LBPRGKRZSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@H]1CN(C(=O)c2ccncc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000192224532 442617413 /nfs/dbraw/zinc/61/74/13/442617413.db2.gz RSVBVKAZYHOODD-SMDDNHRTSA-N 0 0 343.349 1.893 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(C)nc(C(F)(F)F)n2)C1 ZINC000186835786 442619640 /nfs/dbraw/zinc/61/96/40/442619640.db2.gz FTQFUWFOHYMTSQ-JTQLQIEISA-N 0 0 330.310 1.545 10 0 EDAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000179338763 442624828 /nfs/dbraw/zinc/62/48/28/442624828.db2.gz MRIXDTAGACLCJC-CQSZACIVSA-N 0 0 338.473 1.867 10 0 EDAERN Cc1nc(C)c(CCC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(=O)[nH]1 ZINC000135728738 442628453 /nfs/dbraw/zinc/62/84/53/442628453.db2.gz BBJSOLJAGHFIOE-OAHLLOKOSA-N 0 0 342.399 1.394 10 0 EDAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135783799 442633617 /nfs/dbraw/zinc/63/36/17/442633617.db2.gz RXLZNHXYNLJEJX-TZMCWYRMSA-N 0 0 345.424 1.941 10 0 EDAERN Cc1cc(=O)[nH]c([C@@H](C)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000192721071 442680336 /nfs/dbraw/zinc/68/03/36/442680336.db2.gz MFFAKSGMKMLSFU-GHMZBOCLSA-N 0 0 336.417 1.550 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3COC4(CCCCC4)O3)C2)cn1 ZINC000181113760 442680950 /nfs/dbraw/zinc/68/09/50/442680950.db2.gz KVBSSSRWKOVTSP-GDBMZVCRSA-N 0 0 348.447 1.995 10 0 EDAERN Cc1noc([C@@H]2COCCN2Cc2ccc3c(c2)sc(=O)n3C)n1 ZINC000192730091 442681637 /nfs/dbraw/zinc/68/16/37/442681637.db2.gz VBCOYVLJMHQKLM-ZDUSSCGKSA-N 0 0 346.412 1.865 10 0 EDAERN CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000187687679 442686705 /nfs/dbraw/zinc/68/67/05/442686705.db2.gz BRWUSZCGPFBEMQ-RWMBFGLXSA-N 0 0 330.400 1.971 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H](C)C2 ZINC000181255468 442686756 /nfs/dbraw/zinc/68/67/56/442686756.db2.gz KDAFNWVIMWROEU-NHYWBVRUSA-N 0 0 329.400 1.675 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cccc4n[nH]nc43)CCO2)n1 ZINC000187855382 442695159 /nfs/dbraw/zinc/69/51/59/442695159.db2.gz XKNQWURFMFJSNB-CYBMUJFWSA-N 0 0 340.387 1.312 10 0 EDAERN C[C@@H](CN(C)C(=O)[C@@H](Cc1ccccc1)NC(N)=O)c1nccs1 ZINC000181428542 442696637 /nfs/dbraw/zinc/69/66/37/442696637.db2.gz YXBDZAKPONWGCA-GXTWGEPZSA-N 0 0 346.456 1.985 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1F ZINC000188016228 442703138 /nfs/dbraw/zinc/70/31/38/442703138.db2.gz MQBOMVHSHCPSHL-UHFFFAOYSA-N 0 0 333.363 1.200 10 0 EDAERN Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nnn1Cc1ccc(F)cc1 ZINC000192532267 442659474 /nfs/dbraw/zinc/65/94/74/442659474.db2.gz XCZQZOOJEHXBAO-MRXNPFEDSA-N 0 0 343.406 1.694 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCOc3ccccc3)CCO2)[nH]1 ZINC000136320930 442660017 /nfs/dbraw/zinc/66/00/17/442660017.db2.gz COSMTJILHLIHCK-CQSZACIVSA-N 0 0 345.403 1.529 10 0 EDAERN O=C(c1ccnc(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136430518 442663359 /nfs/dbraw/zinc/66/33/59/442663359.db2.gz CGYZWJGUXVVREN-UHFFFAOYSA-N 0 0 343.778 1.135 10 0 EDAERN CCc1noc([C@H](C)N2CCN([C@H](C)c3nc(C)cc(=O)[nH]3)CC2)n1 ZINC000192576169 442665154 /nfs/dbraw/zinc/66/51/54/442665154.db2.gz ANBNXRXRVKRXRC-OLZOCXBDSA-N 0 0 346.435 1.876 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187273681 442666202 /nfs/dbraw/zinc/66/62/02/442666202.db2.gz WKLPMYYZUAFBEZ-BBRMVZONSA-N 0 0 340.370 1.321 10 0 EDAERN O=S(=O)(CC1CCCCC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180969523 442672303 /nfs/dbraw/zinc/67/23/03/442672303.db2.gz NKOHNHJYZUQHEE-HNNXBMFYSA-N 0 0 326.466 1.900 10 0 EDAERN CC[C@@H]1CCc2nc(NC(=O)C(=O)N3CCC[C@H]3CO)sc2C1 ZINC000193370291 442736732 /nfs/dbraw/zinc/73/67/32/442736732.db2.gz GSCSZBRCKZXTAH-MNOVXSKESA-N 0 0 337.445 1.580 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCC[C@H]3CCCCO3)CCO2)[nH]1 ZINC000182184344 442743014 /nfs/dbraw/zinc/74/30/14/442743014.db2.gz BZVNFSOPXGQMNO-OLZOCXBDSA-N 0 0 337.424 1.409 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000193587632 442757103 /nfs/dbraw/zinc/75/71/03/442757103.db2.gz SGQNPGVBMAVEIP-UHFFFAOYSA-N 0 0 344.463 1.841 10 0 EDAERN CC[C@@H](C)[C@H](O)CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188444266 442750541 /nfs/dbraw/zinc/75/05/41/442750541.db2.gz JVOPRTCZVAUJOT-YVECIDJPSA-N 0 0 332.416 1.857 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)c1cccs1 ZINC000193527468 442751097 /nfs/dbraw/zinc/75/10/97/442751097.db2.gz PSSZIUWTRLDPEL-QMMMGPOBSA-N 0 0 335.360 1.802 10 0 EDAERN CCc1noc([C@H](C)N2CCN(CCO[C@@H]3CCCCO3)CC2)n1 ZINC000181690570 442710078 /nfs/dbraw/zinc/71/00/78/442710078.db2.gz POMVDPSURFBRFK-GOEBONIOSA-N 0 0 338.452 1.854 10 0 EDAERN CCC1(CO)CCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181716248 442711927 /nfs/dbraw/zinc/71/19/27/442711927.db2.gz UQXLSLRNBPEEHL-AWEZNQCLSA-N 0 0 349.479 1.910 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)cc1)CC2 ZINC000181725908 442712762 /nfs/dbraw/zinc/71/27/62/442712762.db2.gz KZBSIEWAGANZIN-LBPRGKRZSA-N 0 0 338.408 1.834 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(CCCCO)C1CC1)CC2 ZINC000181753134 442714596 /nfs/dbraw/zinc/71/45/96/442714596.db2.gz PMZOVXUCCBZQMH-CYBMUJFWSA-N 0 0 335.452 1.663 10 0 EDAERN Cc1ccc(CN(CCO)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000182628039 442798240 /nfs/dbraw/zinc/79/82/40/442798240.db2.gz AQDOUNJGEHGTAL-OAHLLOKOSA-N 0 0 329.404 1.105 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N2CCN(CCOC)[C@@H](C)C2)C12CCC2 ZINC000246316895 442771671 /nfs/dbraw/zinc/77/16/71/442771671.db2.gz NVDKXUUROHOAKE-HRCADAONSA-N 0 0 339.480 1.696 10 0 EDAERN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000246438223 442782022 /nfs/dbraw/zinc/78/20/22/442782022.db2.gz WEOSXZFCNDEYOM-JKSUJKDBSA-N 0 0 348.447 1.881 10 0 EDAERN C[C@@H](CNC(=O)NCc1ccc2ncccc2c1)N1CCOCC1 ZINC000194012995 442828687 /nfs/dbraw/zinc/82/86/87/442828687.db2.gz XNHGDVYGBFFRKZ-AWEZNQCLSA-N 0 0 328.416 1.755 10 0 EDAERN COc1cc(C)cc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188906216 442840583 /nfs/dbraw/zinc/84/05/83/442840583.db2.gz KSHSJTHOELVJBB-UHFFFAOYSA-N 0 0 331.416 1.814 10 0 EDAERN O=C(CNC(=O)NC1C2CC3CC(C2)CC1C3)NCC(F)(F)F ZINC000194305616 442875207 /nfs/dbraw/zinc/87/52/07/442875207.db2.gz UWUFWVFIEOQWAF-UHFFFAOYSA-N 0 0 333.354 1.789 10 0 EDAERN C[C@@H]1CC[C@H](NC(=O)NCC(=O)N2CCOCC2)c2ccccc21 ZINC000179776560 318462383 /nfs/dbraw/zinc/46/23/83/318462383.db2.gz YUAFUDBZYFKCKZ-CJNGLKHVSA-N 0 0 331.416 1.783 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cccc(F)c2)C1 ZINC000189186258 442893754 /nfs/dbraw/zinc/89/37/54/442893754.db2.gz SLRLESLLGPMVIL-WCQYABFASA-N 0 0 341.364 1.668 10 0 EDAERN CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248620496 442908511 /nfs/dbraw/zinc/90/85/11/442908511.db2.gz CHZDAYGSUFUDKK-WOPDTQHZSA-N 0 0 335.370 1.385 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000248629579 442909760 /nfs/dbraw/zinc/90/97/60/442909760.db2.gz HHBVDWGJSRKQAB-GFCCVEGCSA-N 0 0 331.463 1.493 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000189309360 442918292 /nfs/dbraw/zinc/91/82/92/442918292.db2.gz QRIMPNWBLXSIEB-MCIONIFRSA-N 0 0 344.333 1.258 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@H](C)CCCOC)CC2)n1 ZINC000182740471 318511629 /nfs/dbraw/zinc/51/16/29/318511629.db2.gz QTKQMRRZGXZDPK-KGLIPLIRSA-N 0 0 338.452 1.900 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)C(C)C ZINC000194617474 442924511 /nfs/dbraw/zinc/92/45/11/442924511.db2.gz SMZWTURSMQWHKJ-NVXWUHKLSA-N 0 0 347.459 1.196 10 0 EDAERN CN1CCO[C@@H](CNC(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000194630508 442927555 /nfs/dbraw/zinc/92/75/55/442927555.db2.gz LPHWGGZBSBGFKM-NSHDSACASA-N 0 0 349.378 1.639 10 0 EDAERN COc1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1OC(F)F ZINC000194636962 442928994 /nfs/dbraw/zinc/92/89/94/442928994.db2.gz KNMZUFAFJCNWNT-JTQLQIEISA-N 0 0 330.331 1.357 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(F)(F)c3ncccc3C)CCO2)[nH]1 ZINC000194697007 442938188 /nfs/dbraw/zinc/93/81/88/442938188.db2.gz RAHJZBBVGRROMA-NSHDSACASA-N 0 0 337.330 1.508 10 0 EDAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189392326 442938965 /nfs/dbraw/zinc/93/89/65/442938965.db2.gz XQDBMYQDMAZOLY-LBPRGKRZSA-N 0 0 330.384 1.394 10 0 EDAERN CCCn1c(C(=O)NC[C@@H](O)CN2CCOCC2)cc2ccccc21 ZINC000189404986 442943209 /nfs/dbraw/zinc/94/32/09/442943209.db2.gz PBBQTBDZSPIBHF-MRXNPFEDSA-N 0 0 345.443 1.474 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1)C1CC1 ZINC000189418881 442947662 /nfs/dbraw/zinc/94/76/62/442947662.db2.gz ZSYDGEZLJMGVLQ-KRWDZBQOSA-N 0 0 344.411 1.595 10 0 EDAERN CCOc1cc(CN(C)C(=O)[C@@H]2CNC(=O)C2)ccc1OC(F)F ZINC000194798329 442954265 /nfs/dbraw/zinc/95/42/65/442954265.db2.gz AVMHJQASLSNFNV-NSHDSACASA-N 0 0 342.342 1.781 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1cccc(OCc2ccccn2)c1 ZINC000194814365 442957093 /nfs/dbraw/zinc/95/70/93/442957093.db2.gz HWTCYCDUWFCANA-UKRRQHHQSA-N 0 0 339.395 1.974 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3ncc(C)s3)CCO2)cn1 ZINC000189315760 318564325 /nfs/dbraw/zinc/56/43/25/318564325.db2.gz NGGWEYIGRMDCET-CYBMUJFWSA-N 0 0 335.433 1.951 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000183747366 442958922 /nfs/dbraw/zinc/95/89/22/442958922.db2.gz KQDPMJRWZGKLMB-LLVKDONJSA-N 0 0 345.327 1.418 10 0 EDAERN COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CNC(=O)C2)c1 ZINC000194828656 442959408 /nfs/dbraw/zinc/95/94/08/442959408.db2.gz BWRRZQCNCMSWRL-GOEBONIOSA-N 0 0 332.400 1.339 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000183759146 442960945 /nfs/dbraw/zinc/96/09/45/442960945.db2.gz KMKNKZIECWUNMJ-AWEZNQCLSA-N 0 0 342.355 1.476 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)CCC(=O)c2ccccc2)n1 ZINC000183759731 442961702 /nfs/dbraw/zinc/96/17/02/442961702.db2.gz IYTZNXQGSDHCCW-CQSZACIVSA-N 0 0 329.356 1.941 10 0 EDAERN O=C(CCc1cnn(-c2ccccc2)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189476718 442963583 /nfs/dbraw/zinc/96/35/83/442963583.db2.gz NUJITMONMZLFEF-UHFFFAOYSA-N 0 0 338.411 1.542 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)c1 ZINC000183831705 442968569 /nfs/dbraw/zinc/96/85/69/442968569.db2.gz BIIJSZUNTKRELN-AWEZNQCLSA-N 0 0 344.390 1.808 10 0 EDAERN C[C@@H]1CN(C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H](CO)O1 ZINC000249364254 442968829 /nfs/dbraw/zinc/96/88/29/442968829.db2.gz ODUDWQDNJLOGEJ-BJZITVGISA-N 0 0 331.412 1.661 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000183883078 442972302 /nfs/dbraw/zinc/97/23/02/442972302.db2.gz LWOFMCGJVRITDD-AWEZNQCLSA-N 0 0 341.481 1.454 10 0 EDAERN COCCCn1c(=O)[nH]nc1SCc1nnc(C(C)C)n1C ZINC000194673675 318592339 /nfs/dbraw/zinc/59/23/39/318592339.db2.gz HDYXCGXPNRHYAJ-UHFFFAOYSA-N 0 0 326.426 1.152 10 0 EDAERN CC[C@H]1CN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)CCN1CCOC ZINC000189660540 442990018 /nfs/dbraw/zinc/99/00/18/442990018.db2.gz VVOOLTDSPBTFFG-CABCVRRESA-N 0 0 341.496 1.497 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCC[C@@H]3CCCCO3)CCO2)[nH]1 ZINC000184417754 443019524 /nfs/dbraw/zinc/01/95/24/443019524.db2.gz IMIBGGCHNZKZGI-UONOGXRCSA-N 0 0 337.424 1.545 10 0 EDAERN CCn1cc(C2CCN(CC(=O)N(C)Cc3cnn(C)c3)CC2)cn1 ZINC000195501250 443025275 /nfs/dbraw/zinc/02/52/75/443025275.db2.gz ZPHVPQKKQCVVNX-UHFFFAOYSA-N 0 0 344.463 1.475 10 0 EDAERN O=C(c1ccc(F)cc1)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N1CC(O)C1 ZINC000252485986 443029634 /nfs/dbraw/zinc/02/96/34/443029634.db2.gz CBTGQOBWGLNVPI-XYPHTWIQSA-N 0 0 346.402 1.802 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)Cc2cccs2)CC1 ZINC000184846373 443086025 /nfs/dbraw/zinc/08/60/25/443086025.db2.gz IUOOOEMZSINSTK-ZIAGYGMSSA-N 0 0 325.478 1.777 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000184866447 443088685 /nfs/dbraw/zinc/08/86/85/443088685.db2.gz AERORWVLKCNASY-LLVKDONJSA-N 0 0 331.869 2.000 10 0 EDAERN CCOC(=O)[C@@H](N)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000224070444 443095897 /nfs/dbraw/zinc/09/58/97/443095897.db2.gz FZRWUECQSVDWFF-KCJUWKMLSA-N 0 0 329.194 1.517 10 0 EDAERN Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccccc2)n1 ZINC000224181698 443096579 /nfs/dbraw/zinc/09/65/79/443096579.db2.gz APWNYDQJVZGWLT-UHFFFAOYSA-N 0 0 327.388 1.943 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000184689483 443059611 /nfs/dbraw/zinc/05/96/11/443059611.db2.gz RUACRHNOJSDCMI-MRXNPFEDSA-N 0 0 344.459 1.809 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccc(=O)n(C)c2)o1 ZINC000190212576 443071317 /nfs/dbraw/zinc/07/13/17/443071317.db2.gz AOAKDQATDCUTSB-AWEZNQCLSA-N 0 0 343.383 1.979 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000254992203 443080163 /nfs/dbraw/zinc/08/01/63/443080163.db2.gz ALKRXBQGDXRTGK-KYLNKMBASA-N 0 0 343.471 1.301 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2nc(C)cs2)CC1 ZINC000185080554 443131711 /nfs/dbraw/zinc/13/17/11/443131711.db2.gz GKGRDRWSFRFTHB-CHWSQXEVSA-N 0 0 326.466 1.611 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)NCc2ccc(F)cc2)n1 ZINC000185078456 443131981 /nfs/dbraw/zinc/13/19/81/443131981.db2.gz OTKSEOXCZFMWQH-AWEZNQCLSA-N 0 0 334.351 1.207 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)NCc2cccc(C)c2)n1 ZINC000185081023 443132122 /nfs/dbraw/zinc/13/21/22/443132122.db2.gz SBIQYZPWLIURSC-HNNXBMFYSA-N 0 0 330.388 1.376 10 0 EDAERN O=C(NOC[C@@H]1CCOC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190444321 443109711 /nfs/dbraw/zinc/10/97/11/443109711.db2.gz MUGCFDMYMKVJEK-XBFCOCLRSA-N 0 0 326.418 1.434 10 0 EDAERN O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000190469115 443114577 /nfs/dbraw/zinc/11/45/77/443114577.db2.gz WDCKVDHBKKJGHD-CYBMUJFWSA-N 0 0 328.420 1.823 10 0 EDAERN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000185007453 443116240 /nfs/dbraw/zinc/11/62/40/443116240.db2.gz VTCVJSBGYGUXSB-ZOBUZTSGSA-N 0 0 336.432 1.773 10 0 EDAERN CC(=O)N[C@@H](CC(=O)N1CC(NC(C)=O)C1)c1ccc(Cl)cc1 ZINC000190487306 443118650 /nfs/dbraw/zinc/11/86/50/443118650.db2.gz BHYNKYSGTUYMQA-HNNXBMFYSA-N 0 0 337.807 1.254 10 0 EDAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(C)noc2C)C12CCOCC2 ZINC000185149997 443147645 /nfs/dbraw/zinc/14/76/45/443147645.db2.gz VODLVBHMVWKVGK-QWHCGFSZSA-N 0 0 344.433 1.544 10 0 EDAERN Cc1nnsc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000190514240 443124955 /nfs/dbraw/zinc/12/49/55/443124955.db2.gz QOXMEXNFPCGMNC-AWEZNQCLSA-N 0 0 332.429 1.338 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2cc(C)sc2C)C1 ZINC000185226504 443165299 /nfs/dbraw/zinc/16/52/99/443165299.db2.gz OEXBJNAJHQVSQA-UHFFFAOYSA-N 0 0 338.429 1.301 10 0 EDAERN COCC(=O)NC1CN(C(=O)C(C)(C)Oc2cccc(Cl)c2)C1 ZINC000185253787 443170064 /nfs/dbraw/zinc/17/00/64/443170064.db2.gz IPLFUHWHXGKYJR-UHFFFAOYSA-N 0 0 340.807 1.471 10 0 EDAERN CCOc1c(Cl)cccc1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000190747387 443175447 /nfs/dbraw/zinc/17/54/47/443175447.db2.gz JTQKJRWLXHNZAS-ZDUSSCGKSA-N 0 0 326.824 1.728 10 0 EDAERN COCC(=O)NC1CN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C1 ZINC000185304252 443179624 /nfs/dbraw/zinc/17/96/24/443179624.db2.gz AKHNESGYRMWBIW-LLVKDONJSA-N 0 0 336.363 1.008 10 0 EDAERN CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CCc3ncnn3C1)[C@H]2C ZINC000190813093 443187917 /nfs/dbraw/zinc/18/79/17/443187917.db2.gz AAFNCGQWJLVWHY-NWDGAFQWSA-N 0 0 344.423 1.094 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000185178086 443155234 /nfs/dbraw/zinc/15/52/34/443155234.db2.gz ZKWBAAFQKJDEGG-HUUCEWRRSA-N 0 0 331.391 1.428 10 0 EDAERN CC(C)c1ccccc1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000190675493 443161748 /nfs/dbraw/zinc/16/17/48/443161748.db2.gz RNUBGMFLFBKYFZ-HNNXBMFYSA-N 0 0 338.473 1.952 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000190676979 443161784 /nfs/dbraw/zinc/16/17/84/443161784.db2.gz TVRIGCKKZHEOBO-SECBINFHSA-N 0 0 343.305 1.381 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(SC(F)F)cc2)C1 ZINC000185214591 443162569 /nfs/dbraw/zinc/16/25/69/443162569.db2.gz QPPLUGKDGCNQHE-UHFFFAOYSA-N 0 0 330.356 1.588 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000185215096 443162686 /nfs/dbraw/zinc/16/26/86/443162686.db2.gz JDKZFDFXDIOLMC-UHFFFAOYSA-N 0 0 338.791 1.276 10 0 EDAERN CN1CCN(c2ncc(CN3CCO[C@H]4CCCC[C@H]43)cn2)CC1 ZINC000245514265 443233444 /nfs/dbraw/zinc/23/34/44/443233444.db2.gz FOOBOJAYCMFYOW-SJORKVTESA-N 0 0 331.464 1.372 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCCn3cccn3)CCO2)cn1 ZINC000190883056 443204185 /nfs/dbraw/zinc/20/41/85/443204185.db2.gz DXSUPGUKKQYJME-OAHLLOKOSA-N 0 0 332.408 1.273 10 0 EDAERN CC(C)(O)c1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000185473332 443204601 /nfs/dbraw/zinc/20/46/01/443204601.db2.gz LIGOIPNJZRGDSR-CQSZACIVSA-N 0 0 329.404 1.320 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCc2cnn(C)c2C)C12CCOCC2 ZINC000185905564 443281006 /nfs/dbraw/zinc/28/10/06/443281006.db2.gz FVAOAYQDEWZTAX-CABCVRRESA-N 0 0 336.436 1.502 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C[C@@H]1C ZINC000246009342 443261926 /nfs/dbraw/zinc/26/19/26/443261926.db2.gz ZGTZEGAHTKDUGE-AVGNSLFASA-N 0 0 339.461 1.522 10 0 EDAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(N)cc1 ZINC000186019623 443297931 /nfs/dbraw/zinc/29/79/31/443297931.db2.gz FNYHGHRAIWHVOV-AWEZNQCLSA-N 0 0 347.444 1.348 10 0 EDAERN CCOc1ncccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299740540 444128661 /nfs/dbraw/zinc/12/86/61/444128661.db2.gz BLMDFJCUXJMSCL-NXEZZACHSA-N 0 0 331.294 1.216 10 0 EDAERN CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccnn1C ZINC000328638805 444407203 /nfs/dbraw/zinc/40/72/03/444407203.db2.gz WLWYWUOVVPZOID-JTQLQIEISA-N 0 0 341.337 1.970 10 0 EDAERN CN(Cc1nccc(N)n1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328624800 444399238 /nfs/dbraw/zinc/39/92/38/444399238.db2.gz COZADDAYZMKZTM-JTQLQIEISA-N 0 0 340.353 1.969 10 0 EDAERN CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3cnn(C)c3)CC2)cn1 ZINC000328629431 444402451 /nfs/dbraw/zinc/40/24/51/444402451.db2.gz IFHJWBIGJRPUHB-HNNXBMFYSA-N 0 0 342.447 1.988 10 0 EDAERN CO[C@]12CC[N@H+](Cc3ccccc3C(=O)[O-])[C@H]1C[C@@H](OCCO)CC2 ZINC000426521187 447464848 /nfs/dbraw/zinc/46/48/48/447464848.db2.gz HLJHPGMVBSVORP-VDZJLULYSA-N 0 0 349.427 1.906 10 0 EDAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cccc(Br)c1 ZINC000392882289 447528402 /nfs/dbraw/zinc/52/84/02/447528402.db2.gz VSPTWDRCBOXOEZ-KCJUWKMLSA-N 0 0 347.234 1.395 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2cc(Br)oc2C)C1 ZINC000396686631 447545817 /nfs/dbraw/zinc/54/58/17/447545817.db2.gz ZITMWGWOELSXTA-SNVBAGLBSA-N 0 0 331.210 1.801 10 0 EDAERN CCOC(=O)C=C(Nc1cscc1C(=O)OC)C(=O)OCC ZINC000498050831 448075333 /nfs/dbraw/zinc/07/53/33/448075333.db2.gz WJWNHUSQPKHOIB-UXBLZVDNSA-N 0 0 327.358 1.957 10 0 EDAERN O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617840 448444666 /nfs/dbraw/zinc/44/46/66/448444666.db2.gz YFMWAVOBTINNPV-GOSISDBHSA-N 0 0 326.400 1.346 10 0 EDAERN Cc1n[nH]nc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000583617995 448447698 /nfs/dbraw/zinc/44/76/98/448447698.db2.gz SDNVDLGZDJSAMX-SECBINFHSA-N 0 0 342.325 1.885 10 0 EDAERN CN1C(=O)C[C@@H](NCc2nnc3n2CCCC3)[C@@H]1c1cccnc1 ZINC000583620192 448450767 /nfs/dbraw/zinc/45/07/67/448450767.db2.gz STJLBXMFWSZHSD-DYVFJYSZSA-N 0 0 326.404 1.071 10 0 EDAERN CCN1CCN(C(=O)N[C@@H](COC)C2CC2)C[C@@H]1c1nccn1C ZINC000583623264 448454340 /nfs/dbraw/zinc/45/43/40/448454340.db2.gz QATCZKVVNJKCAI-LSDHHAIUSA-N 0 0 335.452 1.233 10 0 EDAERN O=C(NCCC[C@H](CO)NC(=O)c1ccccc1)c1ccccc1 ZINC000584592489 448583078 /nfs/dbraw/zinc/58/30/78/448583078.db2.gz JLGNTUZYBWQNCN-QGZVFWFLSA-N 0 0 326.396 1.988 10 0 EDAERN O=S1(=O)CC(n2nc(Br)nc2Oc2ccccc2)C1 ZINC000584631109 448587990 /nfs/dbraw/zinc/58/79/90/448587990.db2.gz UGZZEATZXYCQJE-UHFFFAOYSA-N 0 0 344.190 1.802 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC)nn1 ZINC000618467275 450213357 /nfs/dbraw/zinc/21/33/57/450213357.db2.gz IALXEPGDFQSAKP-SMDDNHRTSA-N 0 0 331.376 1.209 10 0 EDAERN Nc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)cn1 ZINC000616598521 450454559 /nfs/dbraw/zinc/45/45/59/450454559.db2.gz MRHRIYCSXLQIMY-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1cccnc1N ZINC000616655782 450457674 /nfs/dbraw/zinc/45/76/74/450457674.db2.gz BKHYOBFYGHZOEF-AWEZNQCLSA-N 0 0 336.436 1.952 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1cc(Br)cn1C ZINC000633929353 451112174 /nfs/dbraw/zinc/11/21/74/451112174.db2.gz KDKPCICGWBBANW-NSHDSACASA-N 0 0 330.226 1.190 10 0 EDAERN Cc1cn2ccc(C(=O)N3C[C@@H](C)[C@H](N4CCOCC4)C3)cc2n1 ZINC000635621959 451112310 /nfs/dbraw/zinc/11/23/10/451112310.db2.gz IGFYVFCRZRLLIQ-CZUORRHYSA-N 0 0 328.416 1.435 10 0 EDAERN Cc1nnc2n1C[C@@H](C(=O)N(C)Cc1cc(Cl)cn1C)N(C)C2 ZINC000644387209 453387227 /nfs/dbraw/zinc/38/72/27/453387227.db2.gz XSGRIRSSHBSNRG-ZDUSSCGKSA-N 0 0 336.827 1.051 10 0 EDAERN CC(C)Cn1ncc(NC(=O)CN2CCCC[C@H](O)C2=O)c1C1CC1 ZINC000644482988 453509087 /nfs/dbraw/zinc/50/90/87/453509087.db2.gz YVHUMDCASHTUQJ-HNNXBMFYSA-N 0 0 348.447 1.728 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000074774941 486798522 /nfs/dbraw/zinc/79/85/22/486798522.db2.gz RJXYDLHZFSUGCT-MRXNPFEDSA-N 0 0 338.473 1.517 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)N(C)c2cnn(C)c2)[C@H]1c1nccn1C ZINC000669094543 485642473 /nfs/dbraw/zinc/64/24/73/485642473.db2.gz QGFQPXXPTXOAKH-ZFWWWQNUSA-N 0 0 344.419 1.116 10 0 EDAERN NC(=O)[C@]1(O)CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000671493485 486625110 /nfs/dbraw/zinc/62/51/10/486625110.db2.gz SXGLRGULOKOXIW-IBGZPJMESA-N 0 0 341.411 1.473 10 0 EDAERN O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671498769 486627138 /nfs/dbraw/zinc/62/71/38/486627138.db2.gz ZZWVRUIBIGTXTN-LJQANCHMSA-N 0 0 340.427 1.363 10 0 EDAERN Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000670145771 486641206 /nfs/dbraw/zinc/64/12/06/486641206.db2.gz GGBKUFBDPRNKSM-QMMMGPOBSA-N 0 0 330.310 1.668 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000136582447 491231480 /nfs/dbraw/zinc/23/14/80/491231480.db2.gz HCBUMFWNXGRDDF-OCCSQVGLSA-N 0 0 347.415 1.305 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)CC2 ZINC000121203914 490998867 /nfs/dbraw/zinc/99/88/67/490998867.db2.gz XZJFKURSSOMNSL-STQMWFEESA-N 0 0 342.465 1.205 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000187785701 533739071 /nfs/dbraw/zinc/73/90/71/533739071.db2.gz RDDTZGVJLQUFSF-MFKMUULPSA-N 0 0 341.408 1.573 10 0 EDAERN CSCc1noc(CCC(=O)N2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000129684375 533876565 /nfs/dbraw/zinc/87/65/65/533876565.db2.gz QFWWLQZRIXPPKD-GFCCVEGCSA-N 0 0 335.433 1.962 10 0 EDAERN COc1cc(Cl)ccc1-c1nnc(S(N)(=O)=O)n1C1CC1 ZINC000158339440 533953293 /nfs/dbraw/zinc/95/32/93/533953293.db2.gz LYVHWNSXZOSNKW-UHFFFAOYSA-N 0 0 328.781 1.589 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)O)N2CCOCC2)s1 ZINC000175004620 534218298 /nfs/dbraw/zinc/21/82/98/534218298.db2.gz FOTLJYDRXSVMOW-TZMCWYRMSA-N 0 0 341.477 1.500 10 0 EDAERN O=C(NCCNC(=O)c1ccccc1F)NC[C@@H]1CCCC[C@@H]1O ZINC000153956900 534354077 /nfs/dbraw/zinc/35/40/77/534354077.db2.gz OCRGDZIVASDVKE-WFASDCNBSA-N 0 0 337.395 1.406 10 0 EDAERN O=C(NCCOc1cccc(F)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171902244 534386208 /nfs/dbraw/zinc/38/62/08/534386208.db2.gz IPUKCQQSBXMQMW-INIZCTEOSA-N 0 0 348.378 1.512 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@H]1N1CCOCC1 ZINC000173963678 534410624 /nfs/dbraw/zinc/41/06/24/534410624.db2.gz BVNAHAHHFNHEHZ-RHSMWYFYSA-N 0 0 345.443 1.181 10 0 EDAERN Cc1nc(S(N)(=O)=O)cn1Cc1ccc(F)cc1Br ZINC000159387732 534522615 /nfs/dbraw/zinc/52/26/15/534522615.db2.gz OSIFCDGNLOWSKA-UHFFFAOYSA-N 0 0 348.197 1.789 10 0 EDAERN O=C(CN1CCOC[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000168876508 534543873 /nfs/dbraw/zinc/54/38/73/534543873.db2.gz CYMJHPRMULRUNH-LBPRGKRZSA-N 0 0 329.194 1.081 10 0 EDAERN O=C(CN1CSCC1=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174852554 534552409 /nfs/dbraw/zinc/55/24/09/534552409.db2.gz BKZABIRPQJJGEE-HUUCEWRRSA-N 0 0 334.441 1.634 10 0 EDAERN [NH3+]CCC[C@@H]1CCCN1c1nc[n-]c(=O)c1I ZINC000165450590 534620590 /nfs/dbraw/zinc/62/05/90/534620590.db2.gz BMADCGXQTFYGKL-MRVPVSSYSA-N 0 0 348.188 1.082 10 0 EDAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCC[C@@H](n2cncn2)C1 ZINC000171664545 534724735 /nfs/dbraw/zinc/72/47/35/534724735.db2.gz PBWAGYOAJOQJKV-GFCCVEGCSA-N 0 0 327.344 1.086 10 0 EDAERN O=C(c1cccc(-n2ccnn2)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000152717938 534732635 /nfs/dbraw/zinc/73/26/35/534732635.db2.gz ULTFHZPAYNQONT-CQSZACIVSA-N 0 0 337.387 1.411 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(=O)[nH]n1)C(C)C ZINC000187419994 534796707 /nfs/dbraw/zinc/79/67/07/534796707.db2.gz SNAZPDYNSUGVJJ-OAHLLOKOSA-N 0 0 328.372 1.884 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCc3cnn(C)c3C)C2)n1 ZINC000135015166 534886560 /nfs/dbraw/zinc/88/65/60/534886560.db2.gz WRJGGGVNCWBVOV-INIZCTEOSA-N 0 0 344.463 1.808 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(Br)ccc2F)C1 ZINC000110484262 536435467 /nfs/dbraw/zinc/43/54/67/536435467.db2.gz AKVPKPGUKCSEBR-JTQLQIEISA-N 0 0 331.185 1.649 10 0 EDAERN CC(=O)N1CCCN(C(=O)c2cccc(N)c2Br)CC1 ZINC000158957915 526559795 /nfs/dbraw/zinc/55/97/95/526559795.db2.gz CZZCYGVCNUIMCH-UHFFFAOYSA-N 0 0 340.221 1.726 10 0 EDAERN CC(=O)NC1CN(C(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000190487375 526705139 /nfs/dbraw/zinc/70/51/39/526705139.db2.gz IXRMTISDOIWOIV-UHFFFAOYSA-N 0 0 337.217 1.828 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000189828091 526707820 /nfs/dbraw/zinc/70/78/20/526707820.db2.gz ZQTABWFTSJVFFR-UHFFFAOYSA-N 0 0 346.218 1.330 10 0 EDAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000175024148 526742717 /nfs/dbraw/zinc/74/27/17/526742717.db2.gz SLFZHXHEGWSXLU-IPQOISQHSA-N 0 0 327.454 1.172 10 0 EDAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(Cl)c2)CCO1 ZINC000172267643 526778261 /nfs/dbraw/zinc/77/82/61/526778261.db2.gz ZVUFBULIXKLYPX-XHDPSFHLSA-N 0 0 339.823 1.948 10 0 EDAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)CCO1 ZINC000181915585 526778288 /nfs/dbraw/zinc/77/82/88/526778288.db2.gz KPYCUUMUXWSIHB-FDQGKXFDSA-N 0 0 345.443 1.775 10 0 EDAERN CC(C)(C)c1ncc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000173894902 526882486 /nfs/dbraw/zinc/88/24/86/526882486.db2.gz FPCKAKAOMIYMHX-CQSZACIVSA-N 0 0 333.436 1.713 10 0 EDAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCc3c(O)cccc31)CC2 ZINC000188421697 527196828 /nfs/dbraw/zinc/19/68/28/527196828.db2.gz KXKUXBLOVWAOHT-DOMZBBRYSA-N 0 0 341.415 1.984 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cccn(C)c2=O)C12CCOCC2 ZINC000184396655 527821570 /nfs/dbraw/zinc/82/15/70/527821570.db2.gz UAAUQGNWEIMXNQ-ZIAGYGMSSA-N 0 0 335.404 1.481 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)Nc2nc3ccccn3n2)C12CCOCC2 ZINC000184615811 528090984 /nfs/dbraw/zinc/09/09/84/528090984.db2.gz VYEFLJGGUIFQNK-OLZOCXBDSA-N 0 0 345.403 1.825 10 0 EDAERN CC(C)CO[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000154278549 528138608 /nfs/dbraw/zinc/13/86/08/528138608.db2.gz LBPNJNVXAMKPTQ-JKSUJKDBSA-N 0 0 333.432 1.540 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000183304271 528146680 /nfs/dbraw/zinc/14/66/80/528146680.db2.gz FGZWGRYCNKPYTP-KBPBESRZSA-N 0 0 334.424 1.450 10 0 EDAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC1CCSCC1 ZINC000158551324 528284948 /nfs/dbraw/zinc/28/49/48/528284948.db2.gz FZBKWVZUXHPYKN-UHFFFAOYSA-N 0 0 333.435 1.008 10 0 EDAERN CCN(CCCO)c1cc2c(cc1Br)[C@H](O)C(=O)N2 ZINC000165241019 528470097 /nfs/dbraw/zinc/47/00/97/528470097.db2.gz JAYMMRJROXCYFF-LBPRGKRZSA-N 0 0 329.194 1.643 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1nc2ccccc2n1C ZINC000184371211 528477675 /nfs/dbraw/zinc/47/76/75/528477675.db2.gz IKFJOXFTEJCADT-MRXNPFEDSA-N 0 0 330.432 1.690 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCc1cccnc1)CC2 ZINC000181425971 528478653 /nfs/dbraw/zinc/47/86/53/528478653.db2.gz GTEFTQCVKZYCKX-CQSZACIVSA-N 0 0 328.420 1.653 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000184286876 528479454 /nfs/dbraw/zinc/47/94/54/528479454.db2.gz ARRZEEVSTNHXJB-MRXNPFEDSA-N 0 0 347.394 1.846 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000184211275 528479859 /nfs/dbraw/zinc/47/98/59/528479859.db2.gz VATCKTCJIVJUTQ-OAHLLOKOSA-N 0 0 344.419 1.317 10 0 EDAERN CCOC1CC(CCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000190076550 528490343 /nfs/dbraw/zinc/49/03/43/528490343.db2.gz XANXIGHLYXMINL-UYSNPLJNSA-N 0 0 333.432 1.587 10 0 EDAERN CCOC(=O)C(C)(C)n1cc(NC(=O)NCCn2cc(C)cn2)cn1 ZINC000164406011 528566424 /nfs/dbraw/zinc/56/64/24/528566424.db2.gz TZNWUAIENNGZHX-UHFFFAOYSA-N 0 0 348.407 1.508 10 0 EDAERN CCCc1nc(Cn2ncc(I)cc2=O)no1 ZINC000158582671 528755934 /nfs/dbraw/zinc/75/59/34/528755934.db2.gz GVQYHUWOCLWWLG-UHFFFAOYSA-N 0 0 346.128 1.232 10 0 EDAERN CCOCc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000190195379 529038018 /nfs/dbraw/zinc/03/80/18/529038018.db2.gz RVDJVHOUNDAOTQ-UHFFFAOYSA-N 0 0 331.416 1.643 10 0 EDAERN CC(C)[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)C(N)=O ZINC000184247982 529097148 /nfs/dbraw/zinc/09/71/48/529097148.db2.gz ZJNLXUHYKPZVOD-RYUDHWBXSA-N 0 0 331.338 1.969 10 0 EDAERN CC[C@H](C)Oc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000132976594 529192830 /nfs/dbraw/zinc/19/28/30/529192830.db2.gz VOCBKPZNVPDWCK-GOEBONIOSA-N 0 0 336.432 1.287 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000124758932 534959739 /nfs/dbraw/zinc/95/97/39/534959739.db2.gz BRQGCZUCHFMMJF-ZDUSSCGKSA-N 0 0 331.416 1.908 10 0 EDAERN CC(C)[C@@H]1N(C(=O)C2CCN(C(=O)N(C)C)CC2)C[C@]12CCCO2 ZINC000329432554 535287109 /nfs/dbraw/zinc/28/71/09/535287109.db2.gz HYHDTJPVBSVHIB-MAUKXSAKSA-N 0 0 337.464 1.796 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000195386259 535542351 /nfs/dbraw/zinc/54/23/51/535542351.db2.gz AZOABZPJGWSBCQ-KBPBESRZSA-N 0 0 341.477 1.756 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041600600 535859666 /nfs/dbraw/zinc/85/96/66/535859666.db2.gz BPCAUJSMVDVHTA-CQSZACIVSA-N 0 0 333.432 1.333 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000088380952 536159947 /nfs/dbraw/zinc/15/99/47/536159947.db2.gz ZAGWQTIRQXVBCJ-ZDUSSCGKSA-N 0 0 342.403 1.904 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1c(F)cccc1F)CC2 ZINC000114936912 536163037 /nfs/dbraw/zinc/16/30/37/536163037.db2.gz GXNFXAIIQUGNNW-LLVKDONJSA-N 0 0 349.385 1.975 10 0 EDAERN CN[C@H](C(=O)Nc1ccc(C(=O)OC)c(Cl)c1)c1cnn(C)c1 ZINC000262175038 536387380 /nfs/dbraw/zinc/38/73/80/536387380.db2.gz KLKQAOZSXFGHOI-ZDUSSCGKSA-N 0 0 336.779 1.759 10 0 EDAERN CN[C@H](C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)c1cnn(C)c1 ZINC000262581780 536387476 /nfs/dbraw/zinc/38/74/76/536387476.db2.gz UOWLKXYFBUYJOZ-AWEZNQCLSA-N 0 0 329.404 1.082 10 0 EDAERN COc1ccc(-c2nnc(CNC(=O)N[C@H](C)[C@H]3CCCO3)[nH]2)cc1 ZINC000111825804 536516026 /nfs/dbraw/zinc/51/60/26/536516026.db2.gz LODJPNJWUSERQB-BXUZGUMPSA-N 0 0 345.403 1.847 10 0 EDAERN CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc(C(N)=S)c1 ZINC000048916373 537708882 /nfs/dbraw/zinc/70/88/82/537708882.db2.gz BVNQLPQUYLKWLP-CMPLNLGQSA-N 0 0 328.459 1.509 10 0 EDAERN CO[C@H]1CCCCN(CC(=O)NCc2ccc(F)cc2F)C1=O ZINC000888075951 590929724 /nfs/dbraw/zinc/92/97/24/590929724.db2.gz DSUVWYUNPGJEFW-AWEZNQCLSA-N 0 0 326.343 1.609 10 0 EDAERN COc1ccc2[nH]nc(NC(=O)CN3CCCC[C@@H](OC)C3=O)c2c1 ZINC000888076425 590931446 /nfs/dbraw/zinc/93/14/46/590931446.db2.gz JJPAXCGBKCRLKT-CQSZACIVSA-N 0 0 346.387 1.538 10 0 EDAERN COc1ncccc1C(=O)NC[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000888078203 590934697 /nfs/dbraw/zinc/93/46/97/590934697.db2.gz XTCRCZCCKMJMQC-SWLSCSKDSA-N 0 0 330.388 1.721 10 0 EDAERN CC1(C)NC(=O)CC[C@H]1NC(=O)CCc1nncn1-c1ccccc1 ZINC000888093115 591023073 /nfs/dbraw/zinc/02/30/73/591023073.db2.gz STRKGKNBRBHSKI-CQSZACIVSA-N 0 0 341.415 1.373 10 0 EDAERN Cc1[nH]nc(I)c1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000895629022 591235210 /nfs/dbraw/zinc/23/52/10/591235210.db2.gz FQFRZEZQROTUQK-HTRCEHHLSA-N 0 0 349.172 1.620 10 0 EDAERN Cc1[nH]nc(I)c1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000895629024 591235550 /nfs/dbraw/zinc/23/55/50/591235550.db2.gz FQFRZEZQROTUQK-SVRRBLITSA-N 0 0 349.172 1.620 10 0 EDAERN Cn1cc([C@]2(C)CN(C(=O)c3ccc4[nH]cnc4c3F)CCO2)cn1 ZINC000896987472 591705182 /nfs/dbraw/zinc/70/51/82/591705182.db2.gz ZTBFVWQQSDHYFB-KRWDZBQOSA-N 0 0 343.362 1.823 10 0 EDAERN Cc1nnc(COC2CN(C(=O)[C@@H](O)c3ccc(Cl)cc3)C2)o1 ZINC000818662746 593711138 /nfs/dbraw/zinc/71/11/38/593711138.db2.gz NFHLXJDOTFHRDU-AWEZNQCLSA-N 0 0 337.763 1.492 10 0 EDAERN CC(=O)c1c[nH]c(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000105817106 595466668 /nfs/dbraw/zinc/46/66/68/595466668.db2.gz SZZCEFWLERJVSD-GOSISDBHSA-N 0 0 341.411 1.709 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000113244087 595676276 /nfs/dbraw/zinc/67/62/76/595676276.db2.gz CYTPNPVPIWUECE-CVEARBPZSA-N 0 0 344.459 1.736 10 0 EDAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000113302542 595691487 /nfs/dbraw/zinc/69/14/87/595691487.db2.gz DGNFVRFISASOPX-HRFIDBLHSA-N 0 0 331.459 1.741 10 0 EDAERN CC1CCC2(CC1)NC(=O)N(CN1CC[C@@H](c3cnn(C)c3)C1)C2=O ZINC000116259728 595862774 /nfs/dbraw/zinc/86/27/74/595862774.db2.gz KWRJEVJTLCDYRC-TXKKKEFDSA-N 0 0 345.447 1.668 10 0 EDAERN Cc1ccccc1-c1nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(=S)o1 ZINC000120190844 596311306 /nfs/dbraw/zinc/31/13/06/596311306.db2.gz MNHDHDVDMDSCGD-DGCLKSJQSA-N 0 0 348.428 1.713 10 0 EDAERN COc1ccc(C(F)(F)C(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000120414476 596498045 /nfs/dbraw/zinc/49/80/45/596498045.db2.gz LQNVRUJFGOPUSH-CYBMUJFWSA-N 0 0 326.343 1.914 10 0 EDAERN O=C(OCCc1cn[nH]c1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000120455596 596524402 /nfs/dbraw/zinc/52/44/02/596524402.db2.gz OOSPJGZGUIPHLN-HNNXBMFYSA-N 0 0 349.412 1.349 10 0 EDAERN CCCn1c(CO)nn(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1=S ZINC000120598175 596589484 /nfs/dbraw/zinc/58/94/84/596589484.db2.gz FAJLKVFYZGVOEF-CZUORRHYSA-N 0 0 340.493 1.901 10 0 EDAERN CCOC(CN1CCN(c2nc(C)nc3c2cnn3C)CC1)OCC ZINC000124200094 597022713 /nfs/dbraw/zinc/02/27/13/597022713.db2.gz UDOHYQHIBSZPDY-UHFFFAOYSA-N 0 0 348.451 1.193 10 0 EDAERN O=C(NC[C@H]1CCCS1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000127001514 597591880 /nfs/dbraw/zinc/59/18/80/597591880.db2.gz TZXFLUWYEKZVCW-SJORKVTESA-N 0 0 349.500 1.943 10 0 EDAERN Cn1cc([C@@H]2CCN(CN3C(=O)C(=O)c4cccc(F)c43)C2)cn1 ZINC000132625809 597870945 /nfs/dbraw/zinc/87/09/45/597870945.db2.gz FMWVYNIFSFOBEE-LLVKDONJSA-N 0 0 328.347 1.536 10 0 EDAERN C[C@@H](O)c1ccn(CC(=O)Nc2ccccc2N2CCCC2=O)n1 ZINC000128715358 598034021 /nfs/dbraw/zinc/03/40/21/598034021.db2.gz CCFFVDXVYQHSPK-GFCCVEGCSA-N 0 0 328.372 1.702 10 0 EDAERN C[C@H](O)c1ccn(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000128924292 598124032 /nfs/dbraw/zinc/12/40/32/598124032.db2.gz UXQGWHKPAWONHN-LRDDRELGSA-N 0 0 333.363 1.676 10 0 EDAERN Cn1cc([C@@H]2[C@@H](C(=O)OCC(C)(C)CC#N)CCC(=O)N2C)cn1 ZINC000184764736 698185623 /nfs/dbraw/zinc/18/56/23/698185623.db2.gz DTNITAQQUINHRR-DZGCQCFKSA-N 0 0 332.404 1.813 10 0 EDAERN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000184348507 703118400 /nfs/dbraw/zinc/11/84/00/703118400.db2.gz ZMWBRHVARXUWHR-CQSZACIVSA-N 0 0 329.312 1.821 10 0 EDAERN COC[C@H](O)CN(C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000050118808 214045725 /nfs/dbraw/zinc/04/57/25/214045725.db2.gz NOKBQYGYHBERTG-GFCCVEGCSA-N 0 0 345.237 1.635 10 0 EDAERN C[C@H](CC(N)=S)NS(=O)(=O)c1cncc(Br)c1 ZINC000050390835 214055979 /nfs/dbraw/zinc/05/59/79/214055979.db2.gz HALVHJLXDJKNEM-ZCFIWIBFSA-N 0 0 338.252 1.187 10 0 EDAERN COC(=O)CCCS(=O)(=O)Nc1cc(C(N)=S)ccc1C ZINC000050429831 214056680 /nfs/dbraw/zinc/05/66/80/214056680.db2.gz NQWDWFIHILDIGC-UHFFFAOYSA-N 0 0 330.431 1.324 10 0 EDAERN C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000050568208 214059688 /nfs/dbraw/zinc/05/96/88/214059688.db2.gz ONNQVGLFMLQFHD-WDEREUQCSA-N 0 0 332.447 1.143 10 0 EDAERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCCC1 ZINC000050637830 214063624 /nfs/dbraw/zinc/06/36/24/214063624.db2.gz CIMWYNSEMOQHQF-UHFFFAOYSA-N 0 0 332.447 1.353 10 0 EDAERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CC1(C)C ZINC000050671453 214065731 /nfs/dbraw/zinc/06/57/31/214065731.db2.gz BFELGSVLYOBAPS-GFCCVEGCSA-N 0 0 332.447 1.209 10 0 EDAERN Nc1ccc(C(=O)Nc2ccc(I)cc2)nn1 ZINC000050700534 214066927 /nfs/dbraw/zinc/06/69/27/214066927.db2.gz CRUWHEXDNNJYPJ-UHFFFAOYSA-N 0 0 340.124 1.916 10 0 EDAERN CCCNc1ccc(Cl)cc1C(=O)NCCNS(C)(=O)=O ZINC000050754175 214069242 /nfs/dbraw/zinc/06/92/42/214069242.db2.gz LFAZJXMRHMPLFS-UHFFFAOYSA-N 0 0 333.841 1.441 10 0 EDAERN CCNc1ccc(Cl)c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)n1 ZINC000050787014 214070387 /nfs/dbraw/zinc/07/03/87/214070387.db2.gz WJYAROXVRDIMQT-CYBMUJFWSA-N 0 0 331.825 1.474 10 0 EDAERN CN(Cc1ccccc1Br)C(=O)c1ccc(NN)nn1 ZINC000051118695 214078503 /nfs/dbraw/zinc/07/85/03/214078503.db2.gz WDJKFSUTBWWILY-UHFFFAOYSA-N 0 0 336.193 1.797 10 0 EDAERN O=C(NC1CCOCC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000062515722 214720782 /nfs/dbraw/zinc/72/07/82/214720782.db2.gz WMZNYSMEIAYFNC-INIZCTEOSA-N 0 0 329.400 1.317 10 0 EDAERN CCNC(=O)CCN1c2cc(Br)ccc2C(=O)C1=O ZINC000051760358 214103847 /nfs/dbraw/zinc/10/38/47/214103847.db2.gz PQOUEHYSCOSXJQ-UHFFFAOYSA-N 0 0 325.162 1.505 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000051991423 214110942 /nfs/dbraw/zinc/11/09/42/214110942.db2.gz MICKCMZCTUTBNV-NWDGAFQWSA-N 0 0 331.821 1.777 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051994039 214112126 /nfs/dbraw/zinc/11/21/26/214112126.db2.gz UCWVEYWMCOJTTP-MNOVXSKESA-N 0 0 349.250 1.613 10 0 EDAERN NC(=O)c1nccnc1Oc1ccccc1I ZINC000054399002 214236838 /nfs/dbraw/zinc/23/68/38/214236838.db2.gz OJRNFBMQFGKSHK-UHFFFAOYSA-N 0 0 341.108 1.972 10 0 EDAERN CN(C)c1ccc(Br)cc1NC(=O)c1nonc1N ZINC000054421366 214237512 /nfs/dbraw/zinc/23/75/12/214237512.db2.gz QKCDGGYWBZXUKI-UHFFFAOYSA-N 0 0 326.154 1.733 10 0 EDAERN Cc1nccn1CCCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000173372299 230929727 /nfs/dbraw/zinc/92/97/27/230929727.db2.gz ULWPHDOTZWOBBA-HNNXBMFYSA-N 0 0 330.436 1.904 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCN1C[C@@H](C)O ZINC000130212250 529383367 /nfs/dbraw/zinc/38/33/67/529383367.db2.gz RPGVACBYPCHPAG-HUUCEWRRSA-N 0 0 343.431 1.185 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=S)c2)CCS1 ZINC000157539181 529400388 /nfs/dbraw/zinc/40/03/88/529400388.db2.gz MJZQAWNEGZLVGZ-LLVKDONJSA-N 0 0 330.500 1.837 10 0 EDAERN C[C@H]1CN(C(=O)c2cccc(-n3cccn3)n2)C[C@@H]1N1CCOCC1 ZINC000173857924 231053671 /nfs/dbraw/zinc/05/36/71/231053671.db2.gz PWMBVTWBSPLTMU-HOCLYGCPSA-N 0 0 341.415 1.060 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(OC)n[nH]1 ZINC000179704227 529400879 /nfs/dbraw/zinc/40/08/79/529400879.db2.gz AWHAVTBLWZRYTN-ZYHUDNBSSA-N 0 0 331.376 1.597 10 0 EDAERN C[C@H](C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)n1cncn1 ZINC000173925654 231072313 /nfs/dbraw/zinc/07/23/13/231072313.db2.gz MGVHTOLGPGTNRS-JHJVBQTASA-N 0 0 337.424 1.649 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1ccc(F)c(F)c1 ZINC000173993985 231093301 /nfs/dbraw/zinc/09/33/01/231093301.db2.gz ZZMLXYQRTDPTFN-CYBMUJFWSA-N 0 0 325.359 1.310 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000174001703 231095856 /nfs/dbraw/zinc/09/58/56/231095856.db2.gz IXLZPSJVTFVSCF-CYBMUJFWSA-N 0 0 328.409 1.229 10 0 EDAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174000005 231095883 /nfs/dbraw/zinc/09/58/83/231095883.db2.gz CIBFVORMYMFJPX-AWEZNQCLSA-N 0 0 344.864 1.744 10 0 EDAERN O=C(Cc1csc(-c2ncccn2)n1)N1CCO[C@H]2CCC[C@H]21 ZINC000056198234 214365055 /nfs/dbraw/zinc/36/50/55/214365055.db2.gz LVZKKHVREAZVDP-OLZOCXBDSA-N 0 0 330.413 1.923 10 0 EDAERN Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)C2CC2)CC1 ZINC000056938283 214396381 /nfs/dbraw/zinc/39/63/81/214396381.db2.gz BXNHLSQNWSQTTJ-UHFFFAOYSA-N 0 0 325.416 1.943 10 0 EDAERN C[C@H](Oc1ccc(C=O)cc1Br)C(=O)N1CCOCC1 ZINC000057406759 214426689 /nfs/dbraw/zinc/42/66/89/214426689.db2.gz LYVNDMIINNDMGZ-JTQLQIEISA-N 0 0 342.189 1.888 10 0 EDAERN CC[S@](=O)CCNc1cnn(C(C)C)c(=O)c1Br ZINC000158828550 529453592 /nfs/dbraw/zinc/45/35/92/529453592.db2.gz GBJQBMRZXLVTMB-GOSISDBHSA-N 0 0 336.255 1.767 10 0 EDAERN CC[C@@H]1NC(=O)CCN(Cc2cncc(Br)c2)C1=O ZINC000168917109 529462818 /nfs/dbraw/zinc/46/28/18/529462818.db2.gz FDKQMQMVVQOZTL-NSHDSACASA-N 0 0 326.194 1.471 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H](O)c3ccccc3)C2)n1 ZINC000174921394 231344447 /nfs/dbraw/zinc/34/44/47/231344447.db2.gz USCCYUXGYATSDA-NVXWUHKLSA-N 0 0 328.416 1.867 10 0 EDAERN CCc1onc(C)c1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175420992 231444090 /nfs/dbraw/zinc/44/40/90/231444090.db2.gz HSFDQBVTPHPXEV-LBPRGKRZSA-N 0 0 345.403 1.513 10 0 EDAERN Cc1cc2ccc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2[nH]c1=O ZINC000049681315 214026453 /nfs/dbraw/zinc/02/64/53/214026453.db2.gz KSBJYDFKQNTHRG-AWEZNQCLSA-N 0 0 348.424 1.072 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(CC)cc3O)CCO2)[nH]1 ZINC000187876336 529702202 /nfs/dbraw/zinc/70/22/02/529702202.db2.gz LYRWIOQBBMTEAF-CQSZACIVSA-N 0 0 330.388 1.849 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3cn(C)nc3C(C)(C)C)CCO2)[nH]1 ZINC000183416509 529701263 /nfs/dbraw/zinc/70/12/63/529701263.db2.gz DOANEQUXFMHMOT-ZDUSSCGKSA-N 0 0 332.452 1.972 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2nccs2)CC1 ZINC000115633781 282259636 /nfs/dbraw/zinc/25/96/36/282259636.db2.gz GTZXKEPSQLRFLW-UHFFFAOYSA-N 0 0 334.449 1.843 10 0 EDAERN NC(=O)CCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000061630225 214667868 /nfs/dbraw/zinc/66/78/68/214667868.db2.gz ITGBELZAPMUEMO-UHFFFAOYSA-N 0 0 328.287 1.797 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)[C@H]3CCO[C@@H]3C)CCCC2)no1 ZINC000190221092 529731542 /nfs/dbraw/zinc/73/15/42/529731542.db2.gz NZDXXWUFOHMPKX-MNOVXSKESA-N 0 0 329.422 1.498 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1ccccc1 ZINC000133026689 529749787 /nfs/dbraw/zinc/74/97/87/529749787.db2.gz YZRPDIFPNVOZTQ-KBPBESRZSA-N 0 0 329.404 1.708 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)[C@H](C)CCSC)CC2 ZINC000153216221 529751333 /nfs/dbraw/zinc/75/13/33/529751333.db2.gz NGKLAWYWOXVRIL-VXGBXAGGSA-N 0 0 325.482 1.938 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC000183798802 529760564 /nfs/dbraw/zinc/76/05/64/529760564.db2.gz VIUAISFULMZZLX-GFCCVEGCSA-N 0 0 330.392 1.408 10 0 EDAERN O=C1NCCN(S(=O)(=O)C2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000062324596 214711485 /nfs/dbraw/zinc/71/14/85/214711485.db2.gz QMQCHEZXWUJNFE-CQSZACIVSA-N 0 0 326.393 1.571 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2csc(-c3ccco3)n2)C1 ZINC000132425748 529783806 /nfs/dbraw/zinc/78/38/06/529783806.db2.gz KIZSRJHQEXECHD-LBPRGKRZSA-N 0 0 336.417 1.533 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2csc(Cc3cccc(F)c3)n2)C1 ZINC000183521411 529789895 /nfs/dbraw/zinc/78/98/95/529789895.db2.gz ZZSRBBIZPACNGR-CQSZACIVSA-N 0 0 349.431 1.933 10 0 EDAERN CC(=O)Nc1ccc(NC(=S)NC2=CCS(=O)(=O)C2)cc1 ZINC000100849434 219108747 /nfs/dbraw/zinc/10/87/47/219108747.db2.gz CWTMVHUMNAUSKU-UHFFFAOYSA-N 0 0 325.415 1.244 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000166873762 529901687 /nfs/dbraw/zinc/90/16/87/529901687.db2.gz VRABTQCWEADTSZ-NSHDSACASA-N 0 0 327.743 1.155 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000166770685 529923158 /nfs/dbraw/zinc/92/31/58/529923158.db2.gz JSPYIQWBFBTPGQ-LLVKDONJSA-N 0 0 344.198 1.669 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3)C2)cn1 ZINC000126104754 222654977 /nfs/dbraw/zinc/65/49/77/222654977.db2.gz HCJGUFHOXCDDJC-JTQLQIEISA-N 0 0 333.779 1.423 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc(C)nc1C(C)C ZINC000177700270 231961237 /nfs/dbraw/zinc/96/12/37/231961237.db2.gz IQGZCXXDDPQMIK-CYBMUJFWSA-N 0 0 344.419 1.911 10 0 EDAERN CC(C)[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)N1CCCC1=O ZINC000126243824 222674655 /nfs/dbraw/zinc/67/46/55/222674655.db2.gz POJCMLQGFGZTRJ-KRWDZBQOSA-N 0 0 332.448 1.769 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000101580708 219142471 /nfs/dbraw/zinc/14/24/71/219142471.db2.gz LOQLJCGKAXVREL-NSHDSACASA-N 0 0 345.852 1.804 10 0 EDAERN CN(CC(=O)NC1CC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171987135 282353378 /nfs/dbraw/zinc/35/33/78/282353378.db2.gz UWCVBKMOCKKTTQ-MAUKXSAKSA-N 0 0 343.427 1.333 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCc2nccc(N)n2)[C@H]1c1ccccc1 ZINC000178568067 530040264 /nfs/dbraw/zinc/04/02/64/530040264.db2.gz FVEQFMPJFYQSLL-CXAGYDPISA-N 0 0 339.399 1.285 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1F ZINC000177975540 232046847 /nfs/dbraw/zinc/04/68/47/232046847.db2.gz BLUJCBJKXPVTOJ-CYBMUJFWSA-N 0 0 330.363 1.960 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2csnn2)N2CCOCC2)s1 ZINC000177971425 232046013 /nfs/dbraw/zinc/04/60/13/232046013.db2.gz RHYNBCVIJVEXGU-LBPRGKRZSA-N 0 0 338.458 1.711 10 0 EDAERN COC(=O)c1ccc(NCC(=O)Nc2cccc(C(N)=O)c2)cc1 ZINC000066213517 215022641 /nfs/dbraw/zinc/02/26/41/215022641.db2.gz KIMIDDJNPYGORO-UHFFFAOYSA-N 0 0 327.340 1.623 10 0 EDAERN Ic1ccc(Oc2cncc3nnnn32)cc1 ZINC000044610184 213636479 /nfs/dbraw/zinc/63/64/79/213636479.db2.gz YZQXFGXMLSKGTE-UHFFFAOYSA-N 0 0 339.096 1.916 10 0 EDAERN O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CCc2ccc(F)cc21 ZINC000685944017 539583918 /nfs/dbraw/zinc/58/39/18/539583918.db2.gz WFVMCYRWWJJCLM-ZDUSSCGKSA-N 0 0 331.347 1.583 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000248572703 539688916 /nfs/dbraw/zinc/68/89/16/539688916.db2.gz GMXLWQVIMOWOKJ-MSOLQXFVSA-N 0 0 332.444 1.303 10 0 EDAERN COC(=O)C1(CNC(=O)N[C@H]2CCCn3nc(C)nc32)CCCCC1 ZINC000183789474 290886170 /nfs/dbraw/zinc/88/61/70/290886170.db2.gz HAAHNWSWSBKMPA-ZDUSSCGKSA-N 0 0 349.435 1.844 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000151935379 539780046 /nfs/dbraw/zinc/78/00/46/539780046.db2.gz HLAOUZMKFDGCNL-JYJNAYRXSA-N 0 0 337.464 1.628 10 0 EDAERN Cc1cn2c(ncc(C(=O)N3CCC[C@H]3c3cnn(C)c3)c2=O)s1 ZINC000179908404 233551142 /nfs/dbraw/zinc/55/11/42/233551142.db2.gz IWXHPQXOZTVCRN-ZDUSSCGKSA-N 0 0 343.412 1.775 10 0 EDAERN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1ccc(=O)[nH]c1 ZINC000040834097 213391861 /nfs/dbraw/zinc/39/18/61/213391861.db2.gz QYZWYZBYMOCLBK-UHFFFAOYSA-N 0 0 349.144 1.559 10 0 EDAERN O=C(c1cc(-n2cccn2)ccn1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127219374 222811145 /nfs/dbraw/zinc/81/11/45/222811145.db2.gz RUSRQOMPIYQHGM-CQSZACIVSA-N 0 0 337.387 1.411 10 0 EDAERN O=C(NCC1CCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000040664917 213366657 /nfs/dbraw/zinc/36/66/57/213366657.db2.gz ITICREIRIKNBTD-UHFFFAOYSA-N 0 0 336.413 1.673 10 0 EDAERN CN1CCC[C@@H](NS(=O)(=O)c2ccc(N)cc2Br)C1 ZINC000040672106 213366778 /nfs/dbraw/zinc/36/67/78/213366778.db2.gz NSWNIZYIYQZAON-SNVBAGLBSA-N 0 0 348.266 1.404 10 0 EDAERN O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@H]2CS(=O)(=O)C[C@H]21 ZINC000040624931 213360626 /nfs/dbraw/zinc/36/06/26/213360626.db2.gz XRKIZYUFZVEKTD-NEPJUHHUSA-N 0 0 349.330 1.343 10 0 EDAERN COC(=O)c1nn(C)c(C(F)(F)F)c1I ZINC000675069136 539852790 /nfs/dbraw/zinc/85/27/90/539852790.db2.gz WHLZMWNRNVCKLB-UHFFFAOYSA-N 0 0 334.035 1.830 10 0 EDAERN CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000127301130 222821721 /nfs/dbraw/zinc/82/17/21/222821721.db2.gz MLQNOPRTANFDLU-ZBFHGGJFSA-N 0 0 339.457 1.690 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1F ZINC000181428017 234183339 /nfs/dbraw/zinc/18/33/39/234183339.db2.gz FBNVKSUMUPXUJG-CYBMUJFWSA-N 0 0 338.408 1.827 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H](Cn2ccnn2)C1)C(=O)N1CCCCC1 ZINC000127464326 222845034 /nfs/dbraw/zinc/84/50/34/222845034.db2.gz UBUQIIFRILEBAS-GJZGRUSLSA-N 0 0 348.451 1.101 10 0 EDAERN COCc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000181815207 234334448 /nfs/dbraw/zinc/33/44/48/234334448.db2.gz XFBZYXZPRCZDKG-GOEBONIOSA-N 0 0 346.431 1.628 10 0 EDAERN COCC(=O)N1CCN(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000181932342 234383815 /nfs/dbraw/zinc/38/38/15/234383815.db2.gz FTUPDRHZFMUODJ-RDTXWAMCSA-N 0 0 345.443 1.729 10 0 EDAERN CC(=O)Nc1ccc(NC(=S)N[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000040166464 213278431 /nfs/dbraw/zinc/27/84/31/213278431.db2.gz VKOKFYBLGCUJJL-LBPRGKRZSA-N 0 0 325.415 1.242 10 0 EDAERN O=C(c1cnn(CCC(F)(F)F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000182480740 234632316 /nfs/dbraw/zinc/63/23/16/234632316.db2.gz HNVKOSAJYRSUOG-LBPRGKRZSA-N 0 0 342.325 1.904 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000188633834 283024043 /nfs/dbraw/zinc/02/40/43/283024043.db2.gz IXHCQRWKKYNBPP-NEPJUHHUSA-N 0 0 337.386 1.937 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCSCC1 ZINC000045277482 295894891 /nfs/dbraw/zinc/89/48/91/295894891.db2.gz OSHPXSLHWNRDGX-LBPRGKRZSA-N 0 0 326.443 1.664 10 0 EDAERN CCOC(=O)[C@H](N)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000038600271 213216528 /nfs/dbraw/zinc/21/65/28/213216528.db2.gz WFLNMRHMSASNEO-LLVKDONJSA-N 0 0 331.409 1.567 10 0 in-vitro EDAERN CN(C)C(=O)c1cc(NC(=O)c2ccc(F)c(F)c2)c(=O)n(C)c1 ZINC000038491979 213211090 /nfs/dbraw/zinc/21/10/90/213211090.db2.gz DAZZZKYADBGIMK-UHFFFAOYSA-N 0 0 335.310 1.618 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000176927028 540102986 /nfs/dbraw/zinc/10/29/86/540102986.db2.gz SXPAKPOKCYKLIC-LBPRGKRZSA-N 0 0 340.445 1.968 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3cnn(CC4CC4)c3)CCO2)[nH]1 ZINC000177123297 540103634 /nfs/dbraw/zinc/10/36/34/540103634.db2.gz NJUBQEMXVUVVGJ-CYBMUJFWSA-N 0 0 331.380 1.325 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cnn(CC4CC4)c3)CCO2)[nH]1 ZINC000177123288 540103682 /nfs/dbraw/zinc/10/36/82/540103682.db2.gz NJUBQEMXVUVVGJ-ZDUSSCGKSA-N 0 0 331.380 1.325 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C[C@H]1c2ccccc2NC1=O ZINC000177688504 540105833 /nfs/dbraw/zinc/10/58/33/540105833.db2.gz NCYREQCDXVJUEG-GXTWGEPZSA-N 0 0 325.372 1.664 10 0 EDAERN CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H](C)C(C)C)CC1 ZINC000180244073 540120589 /nfs/dbraw/zinc/12/05/89/540120589.db2.gz AUMZTPAHLMZJEB-CYBMUJFWSA-N 0 0 333.498 1.780 10 0 EDAERN CNC(=O)[C@H](NCc1nc(-c2ccc(OC)cc2OC)no1)C(C)C ZINC000183677935 540139923 /nfs/dbraw/zinc/13/99/23/540139923.db2.gz XKQSVAHAMQDNGY-OAHLLOKOSA-N 0 0 348.403 1.614 10 0 EDAERN CCn1c(C)nnc1CN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185825563 540149096 /nfs/dbraw/zinc/14/90/96/540149096.db2.gz CFOXXCUOQDRZSW-UHFFFAOYSA-N 0 0 329.452 1.842 10 0 EDAERN Cn1nc(CCNC(=O)NC[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000185865057 540150003 /nfs/dbraw/zinc/15/00/03/540150003.db2.gz RNFJNSDAHYIKEG-CXAGYDPISA-N 0 0 330.432 1.966 10 0 EDAERN CCOc1cnc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000188117151 540157834 /nfs/dbraw/zinc/15/78/34/540157834.db2.gz KCYHKNQANGTAGB-ZDUSSCGKSA-N 0 0 342.403 1.406 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000189068755 540162694 /nfs/dbraw/zinc/16/26/94/540162694.db2.gz JSRXUBFJMBOZHM-AAJLLMFJSA-N 0 0 330.428 1.681 10 0 EDAERN O=C(Nc1cc(C(F)(F)F)ccn1)N[C@H]1CCc2ncnn2C1 ZINC000192423368 540178416 /nfs/dbraw/zinc/17/84/16/540178416.db2.gz AWWBPTNVODDLFM-VIFPVBQESA-N 0 0 326.282 1.828 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1coc(C2CCC2)n1 ZINC000194700984 540186591 /nfs/dbraw/zinc/18/65/91/540186591.db2.gz VLSYHYCPRNDUTR-LLVKDONJSA-N 0 0 331.376 1.945 10 0 EDAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)o1 ZINC000074038412 138223632 /nfs/dbraw/zinc/22/36/32/138223632.db2.gz KMJLITKGKVGVRI-VIFPVBQESA-N 0 0 349.368 1.157 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1F ZINC000077938654 138256035 /nfs/dbraw/zinc/25/60/35/138256035.db2.gz BICUJKKRQOZVHX-BXUZGUMPSA-N 0 0 338.379 1.830 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000081589252 138267328 /nfs/dbraw/zinc/26/73/28/138267328.db2.gz RIRHYGWJTNSRQV-UKRRQHHQSA-N 0 0 335.452 1.725 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2cn[nH]c2)c(Br)c1 ZINC000038007164 213188404 /nfs/dbraw/zinc/18/84/04/213188404.db2.gz BFGQWYJRSZYDKW-UHFFFAOYSA-N 0 0 330.207 1.959 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105848171 138302089 /nfs/dbraw/zinc/30/20/89/138302089.db2.gz ORHMPWQPPIOCPR-CQSZACIVSA-N 0 0 343.431 1.934 10 0 EDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000111361684 138308608 /nfs/dbraw/zinc/30/86/08/138308608.db2.gz GWWSYCLUOOYCHW-ZNMIVQPWSA-N 0 0 342.465 1.182 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccccc1C)CC2 ZINC000114890461 138310784 /nfs/dbraw/zinc/31/07/84/138310784.db2.gz CUJXCOWDGQBVQH-ZDUSSCGKSA-N 0 0 341.415 1.010 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCNC(=O)C(C)(C)C)C2)n1 ZINC000116781110 138312088 /nfs/dbraw/zinc/31/20/88/138312088.db2.gz KHDLEBKNGMKOSV-OAHLLOKOSA-N 0 0 349.479 1.686 10 0 EDAERN O=C(CCS(=O)(=O)C1CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000125452236 138333893 /nfs/dbraw/zinc/33/38/93/138333893.db2.gz RXUGCQWTXUGJHO-UHFFFAOYSA-N 0 0 339.461 1.863 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)COc3c(C)nn(C)c3C)C2)no1 ZINC000130593359 138342753 /nfs/dbraw/zinc/34/27/53/138342753.db2.gz MPJRBTLUUKTONY-CQSZACIVSA-N 0 0 347.419 1.588 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3cccc(O)c3)CC2)no1 ZINC000131193796 138353898 /nfs/dbraw/zinc/35/38/98/138353898.db2.gz FEUSYOYECKVUFN-UHFFFAOYSA-N 0 0 330.388 1.361 10 0 EDAERN C[C@@H](c1cn(-c2ccccc2)nn1)N1CC[C@H](N2CCOCC2)C1 ZINC000131680912 138364236 /nfs/dbraw/zinc/36/42/36/138364236.db2.gz LPLGBZVXQMUECE-RDJZCZTQSA-N 0 0 327.432 1.735 10 0 EDAERN CN(CC(=O)NCC(F)(F)F)C(=O)c1cc(Br)c[nH]1 ZINC000037505991 213151847 /nfs/dbraw/zinc/15/18/47/213151847.db2.gz CJKRYMHCIMYLMK-UHFFFAOYSA-N 0 0 342.115 1.528 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC2 ZINC000134141996 138403204 /nfs/dbraw/zinc/40/32/04/138403204.db2.gz PSLNCWQQWJUVAB-LBPRGKRZSA-N 0 0 335.452 1.385 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135266445 138421760 /nfs/dbraw/zinc/42/17/60/138421760.db2.gz OSQMJLDBUVMGJJ-GFCCVEGCSA-N 0 0 342.465 1.253 10 0 EDAERN CCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Cl ZINC000037011298 213130083 /nfs/dbraw/zinc/13/00/83/213130083.db2.gz SMPSJXRPNTUFQT-UHFFFAOYSA-N 0 0 326.827 1.529 10 0 EDAERN Cc1cc(CNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)on1 ZINC000152603861 138478218 /nfs/dbraw/zinc/47/82/18/138478218.db2.gz VTQQWFPLBXCEEN-CYBMUJFWSA-N 0 0 330.392 1.583 10 0 EDAERN C[C@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)CC1(C)OCCO1 ZINC000152933336 138485822 /nfs/dbraw/zinc/48/58/22/138485822.db2.gz IQJVDDUTKYVWIL-UONOGXRCSA-N 0 0 337.424 1.414 10 0 EDAERN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCCC1 ZINC000036193870 213075509 /nfs/dbraw/zinc/07/55/09/213075509.db2.gz RDSNYQIKVGXADV-UHFFFAOYSA-N 0 0 344.458 1.911 10 0 EDAERN Cc1csc([C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C2CC2)n1 ZINC000187292613 236169912 /nfs/dbraw/zinc/16/99/12/236169912.db2.gz NKJGLUWTAQFHQR-CYBMUJFWSA-N 0 0 334.445 1.823 10 0 EDAERN CCOC(=O)C(=O)N1CC(=O)N2CCc3ccc(Cl)cc3[C@H]2C1 ZINC000036138262 213072455 /nfs/dbraw/zinc/07/24/55/213072455.db2.gz BWFMTZOTNOGUSH-CYBMUJFWSA-N 0 0 336.775 1.171 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC000036124277 213071368 /nfs/dbraw/zinc/07/13/68/213071368.db2.gz SCTUBKRYCDWAHD-GJZGRUSLSA-N 0 0 326.462 1.557 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)Cc2ccc(C)cc2)C[C@@H]1C ZINC000036124305 213070924 /nfs/dbraw/zinc/07/09/24/213070924.db2.gz MYUUMYHTQRDTOJ-IYBDPMFKSA-N 0 0 340.489 1.866 10 0 EDAERN Cc1cc(C)c(CO)c(-n2cc(I)cn2)n1 ZINC000070678290 215704485 /nfs/dbraw/zinc/70/44/85/215704485.db2.gz HJWQWBNIMSERAZ-UHFFFAOYSA-N 0 0 329.141 1.981 10 0 EDAERN CCOc1cccc2[nH]cc(CC(=O)NC[C@@H]3CN(C)CCO3)c21 ZINC000187615652 236260229 /nfs/dbraw/zinc/26/02/29/236260229.db2.gz SJXVKAVZAVEMPP-CQSZACIVSA-N 0 0 331.416 1.556 10 0 EDAERN CNC(=O)Cn1c(CN(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000036068420 213059021 /nfs/dbraw/zinc/05/90/21/213059021.db2.gz QKSQSCLGKQPADG-UHFFFAOYSA-N 0 0 334.445 1.144 10 0 EDAERN C[C@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1N ZINC000035773733 213048552 /nfs/dbraw/zinc/04/85/52/213048552.db2.gz CPSRLUUDIICIDF-QMMMGPOBSA-N 0 0 335.223 1.441 10 0 EDAERN Cc1ccc(Cl)c(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)c1 ZINC000187978259 236366965 /nfs/dbraw/zinc/36/69/65/236366965.db2.gz GXQMPKURSFWENR-AWEZNQCLSA-N 0 0 338.835 1.599 10 0 EDAERN O=C(c1ccccc1N1CCOCC1)N1CCC[C@H](n2cncn2)C1 ZINC000171580993 138657993 /nfs/dbraw/zinc/65/79/93/138657993.db2.gz LQLLWYOJWVVFMM-HNNXBMFYSA-N 0 0 341.415 1.592 10 0 EDAERN CN1C(=O)C[C@@H](Nc2cccc(I)c2)C1=O ZINC000035180978 213013527 /nfs/dbraw/zinc/01/35/27/213013527.db2.gz QNEAEAVZYKCLFI-SECBINFHSA-N 0 0 330.125 1.460 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCc3ccnc(C)n3)C2)no1 ZINC000170900320 138654833 /nfs/dbraw/zinc/65/48/33/138654833.db2.gz WZVMEEKKWKTRAG-ZDUSSCGKSA-N 0 0 330.392 1.641 10 0 EDAERN COC(=O)[C@@H](C)CN(CCNC(C)=O)C(=O)c1ccc(Cl)cc1 ZINC000071624922 215790683 /nfs/dbraw/zinc/79/06/83/215790683.db2.gz KVSBHEADAWOQCJ-NSHDSACASA-N 0 0 340.807 1.727 10 0 EDAERN COc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)ccc1OC(F)F ZINC000071814023 215844769 /nfs/dbraw/zinc/84/47/69/215844769.db2.gz YNHPOZDIODKLSW-LLVKDONJSA-N 0 0 342.342 1.989 10 0 EDAERN CN(C)S(=O)(=O)NC[C@@](C)(O)c1ccc(Br)cc1 ZINC000036126541 213071385 /nfs/dbraw/zinc/07/13/85/213071385.db2.gz JHPXAXMRYKECGM-LLVKDONJSA-N 0 0 337.239 1.053 10 0 EDAERN CC(=O)c1cn(CC(=O)N2CCC[C@](O)(CO)C2)c2ccccc12 ZINC000072161661 216050729 /nfs/dbraw/zinc/05/07/29/216050729.db2.gz WQSONLAVPHDINL-GOSISDBHSA-N 0 0 330.384 1.190 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@](C)(O)c1cc(C)oc1C ZINC000174616244 291209287 /nfs/dbraw/zinc/20/92/87/291209287.db2.gz AEYQMDPNQULBLT-PBHICJAKSA-N 0 0 340.420 1.991 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183613236 138786000 /nfs/dbraw/zinc/78/60/00/138786000.db2.gz NMAYRZPTCQLLEA-HUUCEWRRSA-N 0 0 346.493 1.246 10 0 EDAERN CO[C@H](C)CCC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000183628176 138786022 /nfs/dbraw/zinc/78/60/22/138786022.db2.gz AVJICVUMVSGDJV-CYBMUJFWSA-N 0 0 336.436 1.796 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccccc1F ZINC000129438120 223056703 /nfs/dbraw/zinc/05/67/03/223056703.db2.gz YNXAICPTRSIUJR-NSHDSACASA-N 0 0 340.380 1.377 10 0 EDAERN Cc1nn(CC(=O)Nc2ncc(Br)s2)c(C)c1N ZINC000037425212 213147227 /nfs/dbraw/zinc/14/72/27/213147227.db2.gz YWZOFNZYKCRUBQ-UHFFFAOYSA-N 0 0 330.211 1.940 10 0 EDAERN Cn1cnc2cc(C(=O)NCc3nnc(C4CCC4)n3C)cnc21 ZINC000129524370 223065321 /nfs/dbraw/zinc/06/53/21/223065321.db2.gz SKCMRGXZONOTKK-UHFFFAOYSA-N 0 0 325.376 1.294 10 0 EDAERN CS(=O)(=O)CCNCC(=O)Nc1cccc(Br)c1 ZINC000037750643 213163984 /nfs/dbraw/zinc/16/39/84/213163984.db2.gz BVAZPBFKAJYFJY-UHFFFAOYSA-N 0 0 335.223 1.022 10 0 EDAERN CCOC(=O)c1cc2c(nc1N)n(-c1ccccc1)c(=O)[nH]c2=O ZINC000072417078 216206667 /nfs/dbraw/zinc/20/66/67/216206667.db2.gz WDLJOKOHLNFHOR-UHFFFAOYSA-N 0 0 326.312 1.245 10 0 EDAERN CCCN[C@@H](C(N)=O)c1cc(OC)c(OC)cc1Br ZINC000037895138 213172215 /nfs/dbraw/zinc/17/22/15/213172215.db2.gz XAVYJZVLEBSVRP-GFCCVEGCSA-N 0 0 331.210 1.992 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)C1 ZINC000185357006 138804270 /nfs/dbraw/zinc/80/42/70/138804270.db2.gz CGMSTAZSEVJNRM-UKRRQHHQSA-N 0 0 325.453 1.748 10 0 EDAERN COC(=O)c1cnn2c1nnc1c2ccn(-c2ccc(C)cc2)c1=O ZINC000072466078 216247418 /nfs/dbraw/zinc/24/74/18/216247418.db2.gz KDYNGMJHNRERAI-UHFFFAOYSA-N 0 0 335.323 1.523 10 0 EDAERN COc1ccsc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186188321 138813803 /nfs/dbraw/zinc/81/38/03/138813803.db2.gz NRBABWRAKKFZLA-UHFFFAOYSA-N 0 0 330.431 1.046 10 0 EDAERN COCCN(C(C)=O)c1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000072956795 216332415 /nfs/dbraw/zinc/33/24/15/216332415.db2.gz NTQJVINTVCAKSJ-RYUDHWBXSA-N 0 0 327.450 1.752 10 0 EDAERN O=C(c1cc(N2CCOCC2)ccn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000132419793 223329865 /nfs/dbraw/zinc/32/98/65/223329865.db2.gz VOMPRILREUOXPL-KXBFYZLASA-N 0 0 345.443 1.685 10 0 EDAERN O=C(NCc1cccc(COCC(F)(F)F)c1)[C@H]1CNC(=O)C1 ZINC000132817882 223365198 /nfs/dbraw/zinc/36/51/98/223365198.db2.gz SAWXYUQGPDCTNE-GFCCVEGCSA-N 0 0 330.306 1.518 10 0 EDAERN O=C(NOC[C@@H]1CCOC1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000190444024 138891119 /nfs/dbraw/zinc/89/11/19/138891119.db2.gz BYRBVHLLPRWEPC-KGLIPLIRSA-N 0 0 349.435 1.819 10 0 EDAERN COCCn1cnc2c1c(=O)[nH]c(Nc1ccc(Cl)cc1)nc2=O ZINC000020865933 212179137 /nfs/dbraw/zinc/17/91/37/212179137.db2.gz YBHHRFHUTUDHKI-UHFFFAOYSA-N 0 0 347.762 1.523 10 0 EDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190988713 138901920 /nfs/dbraw/zinc/90/19/20/138901920.db2.gz KGHOJRWIWCWNKQ-SECBINFHSA-N 0 0 344.820 1.442 10 0 EDAERN CCN1CCN(C(=O)Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000020515891 212142954 /nfs/dbraw/zinc/14/29/54/212142954.db2.gz CEMICMGGDKXRCQ-UHFFFAOYSA-N 0 0 330.388 1.452 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000191762760 138923390 /nfs/dbraw/zinc/92/33/90/138923390.db2.gz LGASLBFARWSLSN-KBPBESRZSA-N 0 0 332.400 1.595 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)cn1 ZINC000191788855 138924160 /nfs/dbraw/zinc/92/41/60/138924160.db2.gz UQLXWAQMDMBEDW-XJKSGUPXSA-N 0 0 330.388 1.665 10 0 EDAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000191927650 138928733 /nfs/dbraw/zinc/92/87/33/138928733.db2.gz FIFISCULJMJAFE-BBRMVZONSA-N 0 0 342.399 1.803 10 0 EDAERN O=C(NCC1CC1)C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000191897315 138927957 /nfs/dbraw/zinc/92/79/57/138927957.db2.gz TYBYEIDIIBXKTE-CYBMUJFWSA-N 0 0 331.420 1.194 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(=O)n2nccc2[nH]1 ZINC000170884330 284189440 /nfs/dbraw/zinc/18/94/40/284189440.db2.gz IBKGKDLDNPYOLQ-XBFCOCLRSA-N 0 0 330.388 1.329 10 0 EDAERN COc1ccc(OC)c2c1CN(Cc1nnnn1C(C)C)C[C@@H]2O ZINC000195063992 139006230 /nfs/dbraw/zinc/00/62/30/139006230.db2.gz YHHIYTYXTDPFDY-LBPRGKRZSA-N 0 0 333.392 1.320 10 0 EDAERN O=C(c1ccc(N2CCNC2=O)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000195072754 139006265 /nfs/dbraw/zinc/00/62/65/139006265.db2.gz FXKMZMNFSCVGQM-MRXNPFEDSA-N 0 0 328.416 1.527 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CCNC(=O)c1ccco1)CC2 ZINC000195254916 139011443 /nfs/dbraw/zinc/01/14/43/139011443.db2.gz OCSIVUMDWOBYQD-LBPRGKRZSA-N 0 0 345.403 1.246 10 0 EDAERN Cn1ccnc1Sc1ccc(F)cc1NC(=O)[C@H]1CNC(=O)C1 ZINC000195450924 139016837 /nfs/dbraw/zinc/01/68/37/139016837.db2.gz YKXCALMXGXTHBH-SECBINFHSA-N 0 0 334.376 1.785 10 0 EDAERN CCCNC(=O)NC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510750 139018699 /nfs/dbraw/zinc/01/86/99/139018699.db2.gz CPPVREOCJUFVOO-ZDUSSCGKSA-N 0 0 348.451 1.377 10 0 EDAERN CNC(=O)CN(C)CC(=O)c1ccc(I)cc1 ZINC000049538107 214014812 /nfs/dbraw/zinc/01/48/12/214014812.db2.gz HSAOYPMLOYBWQF-UHFFFAOYSA-N 0 0 346.168 1.152 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000195519779 139019450 /nfs/dbraw/zinc/01/94/50/139019450.db2.gz HELGNXCWOVNWDT-CHWSQXEVSA-N 0 0 327.450 1.513 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000195519884 139019599 /nfs/dbraw/zinc/01/95/99/139019599.db2.gz PBSQCGVPBYIQEL-CYBMUJFWSA-N 0 0 327.450 1.465 10 0 EDAERN COc1ccc(C(=O)CN2CCS(=O)CC2)cc1Br ZINC000049692068 214027682 /nfs/dbraw/zinc/02/76/82/214027682.db2.gz DACFWIZDZXOFOS-UHFFFAOYSA-N 0 0 346.246 1.705 10 0 EDAERN COc1ccccc1C1(CNC(=O)C(=O)NC(C)(C)C)CCOCC1 ZINC000016975779 211944498 /nfs/dbraw/zinc/94/44/98/211944498.db2.gz FLHRUXKURUXLAW-UHFFFAOYSA-N 0 0 348.443 1.774 10 0 EDAERN COC[C@@H](C)C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000110867739 220072437 /nfs/dbraw/zinc/07/24/37/220072437.db2.gz BSRFHGTUQFIXDO-MRXNPFEDSA-N 0 0 347.459 1.514 10 0 EDAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000110877182 220073644 /nfs/dbraw/zinc/07/36/44/220073644.db2.gz FMUPSRZLAXGLGO-CYBMUJFWSA-N 0 0 341.396 1.938 10 0 EDAERN CCOc1ccc(CC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111086018 220098595 /nfs/dbraw/zinc/09/85/95/220098595.db2.gz WPMOZNOUDLLIOE-KRWDZBQOSA-N 0 0 329.400 1.752 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1OC ZINC000111078644 220096946 /nfs/dbraw/zinc/09/69/46/220096946.db2.gz DPDKKAAJBWTACT-CQSZACIVSA-N 0 0 331.372 1.442 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)CSc2n[nH]c(C)n2)C1 ZINC000081027199 217353858 /nfs/dbraw/zinc/35/38/58/217353858.db2.gz JDOMLRCEMQYKOG-NSHDSACASA-N 0 0 325.438 1.113 10 0 EDAERN CN(C)[C@@H](CNC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccco1 ZINC000111796064 220191048 /nfs/dbraw/zinc/19/10/48/220191048.db2.gz UAQQDIZMZPCBCP-GJZGRUSLSA-N 0 0 347.419 1.189 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000238921861 139070133 /nfs/dbraw/zinc/07/01/33/139070133.db2.gz UBHNBPBZLHUBST-AWEZNQCLSA-N 0 0 334.397 1.932 10 0 EDAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000111920909 220224373 /nfs/dbraw/zinc/22/43/73/220224373.db2.gz PVESZBKUBKZWJS-CYBMUJFWSA-N 0 0 342.399 1.430 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000245453997 139075382 /nfs/dbraw/zinc/07/53/82/139075382.db2.gz GPXDTNISAPQBPH-RBSFLKMASA-N 0 0 335.404 1.090 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000081587151 217424014 /nfs/dbraw/zinc/42/40/14/217424014.db2.gz MFDLFGOYXVZWHI-HNNXBMFYSA-N 0 0 339.399 1.978 10 0 EDAERN CO[C@]1(C)C[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1(C)C ZINC000245483235 139076671 /nfs/dbraw/zinc/07/66/71/139076671.db2.gz DZIDLAARGLRNAQ-CKEIUWERSA-N 0 0 325.453 1.306 10 0 EDAERN C[C@@H]1C[N@H+](CCC(=O)OCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000245628970 139081398 /nfs/dbraw/zinc/08/13/98/139081398.db2.gz SSJGDUXHJIQDEU-SJLPKXTDSA-N 0 0 332.444 1.772 10 0 EDAERN COCCN1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@H]1C ZINC000245567128 139079626 /nfs/dbraw/zinc/07/96/26/139079626.db2.gz XLSYQOMYPYVWKW-CVEARBPZSA-N 0 0 347.463 1.022 10 0 EDAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000245799870 139086626 /nfs/dbraw/zinc/08/66/26/139086626.db2.gz ZXCNHWGIJMDUEQ-MGPQQGTHSA-N 0 0 340.379 1.859 10 0 EDAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000246327932 139104113 /nfs/dbraw/zinc/10/41/13/139104113.db2.gz JZXXNPONQMDIJK-RBSFLKMASA-N 0 0 344.415 1.049 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000246344929 139104807 /nfs/dbraw/zinc/10/48/07/139104807.db2.gz JOMKSSBXAWRKBH-RWMBFGLXSA-N 0 0 334.507 1.543 10 0 EDAERN C[C@H](c1nc(-c2cccnc2)no1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246367464 139105687 /nfs/dbraw/zinc/10/56/87/139105687.db2.gz HEUKCOFOWYTTCB-IIAWOOMASA-N 0 0 343.431 1.845 10 0 EDAERN C[C@H]1C[N@H+](CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000246475389 139109930 /nfs/dbraw/zinc/10/99/30/139109930.db2.gz OKIRJSFZSYFGKG-FPSMNIFISA-N 0 0 337.508 1.580 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)C[C@H]1N1CCOCC1 ZINC000246605371 139114791 /nfs/dbraw/zinc/11/47/91/139114791.db2.gz WHEWXUOQOPRIHP-TZMCWYRMSA-N 0 0 344.864 1.681 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C[C@H]1C ZINC000246714211 139118352 /nfs/dbraw/zinc/11/83/52/139118352.db2.gz KXDBUILGVLUQCA-IKGGRYGDSA-N 0 0 345.487 1.347 10 0 EDAERN CC[C@@H](C)CS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246860895 139124581 /nfs/dbraw/zinc/12/45/81/139124581.db2.gz INGBRTFBHBGXSD-KGLIPLIRSA-N 0 0 326.466 1.753 10 0 EDAERN Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)cnn1C ZINC000246860973 139124632 /nfs/dbraw/zinc/12/46/32/139124632.db2.gz MABZVVPVNZOWOB-WFASDCNBSA-N 0 0 348.472 1.982 10 0 EDAERN COCCN1CCN([C@H]2CCN(c3ccc(C)cc3)C2=O)C[C@@H]1C ZINC000246956013 139128360 /nfs/dbraw/zinc/12/83/60/139128360.db2.gz RHDYQOYKURTMOM-WMZOPIPTSA-N 0 0 331.460 1.753 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3ccc(C)c(F)c3)CCO2)[nH]1 ZINC000246982705 139129643 /nfs/dbraw/zinc/12/96/43/139129643.db2.gz MRSUCFYSDOLJFF-XHDPSFHLSA-N 0 0 347.394 1.961 10 0 EDAERN Cc1ccc(N2CC[C@@H](N3CCO[C@@H](Cn4cccn4)C3)C2=O)cc1 ZINC000247118758 139136512 /nfs/dbraw/zinc/13/65/12/139136512.db2.gz YSADIFQMSVSAFS-QZTJIDSGSA-N 0 0 340.427 1.698 10 0 EDAERN CC(C)CCC[C@@H](C)NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247116838 139136552 /nfs/dbraw/zinc/13/65/52/139136552.db2.gz JIBAYTQLNLJLAU-IAGOWNOFSA-N 0 0 336.480 1.915 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3cccc(C)c3)CCO2)[nH]1 ZINC000247162246 139138273 /nfs/dbraw/zinc/13/82/73/139138273.db2.gz QMLASHQEECGSMJ-GOEBONIOSA-N 0 0 332.404 1.235 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3cccc(C)c3)CCO2)[nH]1 ZINC000247162236 139138281 /nfs/dbraw/zinc/13/82/81/139138281.db2.gz QMLASHQEECGSMJ-GDBMZVCRSA-N 0 0 332.404 1.235 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)[C@H]3C[C@H]3C(=O)OC)CC2)cn1 ZINC000247168883 139138596 /nfs/dbraw/zinc/13/85/96/139138596.db2.gz MSVYTBWNUPCVQB-JKSUJKDBSA-N 0 0 348.447 1.137 10 0 EDAERN O=C1[C@@H](N2CCO[C@@H](c3nccs3)C2)CCN1CC(F)(F)F ZINC000247512563 139151065 /nfs/dbraw/zinc/15/10/65/139151065.db2.gz JVQQUDKPQGWLPN-VHSXEESVSA-N 0 0 335.351 1.680 10 0 EDAERN CCN(C)S(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248344203 139160478 /nfs/dbraw/zinc/16/04/78/139160478.db2.gz LHACMPDVYDDNAI-QWHCGFSZSA-N 0 0 347.506 1.296 10 0 EDAERN O=C(Nc1cccnc1Cl)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000091249349 217986119 /nfs/dbraw/zinc/98/61/19/217986119.db2.gz PVJPBIBDFQHVES-BZNIZROVSA-N 0 0 337.807 1.827 10 0 EDAERN CCOCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[nH]1 ZINC000012006197 211279698 /nfs/dbraw/zinc/27/96/98/211279698.db2.gz OLVVXJQPCYDCDX-UHFFFAOYSA-N 0 0 343.343 1.499 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)Oc2cccnc2)C12CCOCC2 ZINC000248633259 139169317 /nfs/dbraw/zinc/16/93/17/139169317.db2.gz IVDMXJFCPPVYQH-NUEKZKHPSA-N 0 0 334.416 1.939 10 0 EDAERN CCOC(=O)NCCC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091762497 218061898 /nfs/dbraw/zinc/06/18/98/218061898.db2.gz KITJDQJOVMIULE-SMDDNHRTSA-N 0 0 342.342 1.735 10 0 EDAERN C[C@H](CSc1ccc(F)cc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091779524 218064918 /nfs/dbraw/zinc/06/49/18/218064918.db2.gz DYSYMKQFZJLTLK-ZWNOBZJWSA-N 0 0 326.393 1.267 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000091783921 218065907 /nfs/dbraw/zinc/06/59/07/218065907.db2.gz GMMFBZYYWNESGI-KRWDZBQOSA-N 0 0 346.427 1.653 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000091783919 218066045 /nfs/dbraw/zinc/06/60/45/218066045.db2.gz GMMFBZYYWNESGI-QGZVFWFLSA-N 0 0 346.427 1.653 10 0 EDAERN NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2C(=O)[O-])cc1 ZINC000010475156 211176394 /nfs/dbraw/zinc/17/63/94/211176394.db2.gz MVZJBTFEPYDORX-UHFFFAOYSA-N 0 0 334.397 1.365 10 0 EDAERN Cc1nc([C@H](NC(=O)[C@@H]2CNC(=O)C2)c2ccc(Cl)cc2)no1 ZINC000092527243 218147604 /nfs/dbraw/zinc/14/76/04/218147604.db2.gz QAZVLUNSPSONRB-GXFFZTMASA-N 0 0 334.763 1.373 10 0 EDAERN COc1ccc(Br)cc1C(=O)NC(=S)NCCCO ZINC000009696049 211116904 /nfs/dbraw/zinc/11/69/04/211116904.db2.gz QJDQSDHIZKZIFT-UHFFFAOYSA-N 0 0 347.234 1.444 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3C)c2)CC1 ZINC000112197102 220257196 /nfs/dbraw/zinc/25/71/96/220257196.db2.gz LYJNCGYMWKTAGB-QGZVFWFLSA-N 0 0 342.443 1.709 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249287374 139190512 /nfs/dbraw/zinc/19/05/12/139190512.db2.gz OQGGVQVLKYJRPV-GFCCVEGCSA-N 0 0 333.479 1.802 10 0 EDAERN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H]2CCSC2=O)CC1=O ZINC000009342120 211072098 /nfs/dbraw/zinc/07/20/98/211072098.db2.gz PIQMZTGYUPOCBO-NEPJUHHUSA-N 0 0 348.424 1.505 10 0 EDAERN CCOC(=O)CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 ZINC000009206392 211053130 /nfs/dbraw/zinc/05/31/30/211053130.db2.gz XTWOYOVISTVZBM-LLVKDONJSA-N 0 0 342.417 1.655 10 0 EDAERN CCOC(=O)/C=C/C(=O)NC(=S)Nc1cccc(NC(=O)CC)c1 ZINC000009231221 211056398 /nfs/dbraw/zinc/05/63/98/211056398.db2.gz WZWCLNIHFSMLER-CMDGGOBGSA-N 0 0 349.412 1.967 10 0 EDAERN Cc1nccnc1S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095089691 218279085 /nfs/dbraw/zinc/27/90/85/218279085.db2.gz JRIQHFIAIAHEJD-LLVKDONJSA-N 0 0 327.406 1.568 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]3CCO)CCO2)[nH]1 ZINC000251720099 139202553 /nfs/dbraw/zinc/20/25/53/139202553.db2.gz LMBICUHEUZHBDA-XQQFMLRXSA-N 0 0 337.424 1.001 10 0 EDAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc(C(=O)N2CCCC2)n1 ZINC000252020685 139204048 /nfs/dbraw/zinc/20/40/48/139204048.db2.gz YRVSZRUEMGCBCY-MAZHCROVSA-N 0 0 329.400 1.615 10 0 EDAERN C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000261712073 139219764 /nfs/dbraw/zinc/21/97/64/139219764.db2.gz DRDOCISIIFKIDM-UWVGGRQHSA-N 0 0 345.852 1.521 10 0 EDAERN CN[C@@H](C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)c1cnn(C)c1 ZINC000262040739 139246033 /nfs/dbraw/zinc/24/60/33/139246033.db2.gz GDWMBWCGYIQREG-MEDUHNTESA-N 0 0 332.404 1.575 10 0 EDAERN CN[C@@H](C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1)c1cnn(C)c1 ZINC000262056238 139247107 /nfs/dbraw/zinc/24/71/07/139247107.db2.gz HZFGDBMXZFWBMV-XHDPSFHLSA-N 0 0 345.403 1.293 10 0 EDAERN Cc1cccc([C@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)n1 ZINC000006632559 210665377 /nfs/dbraw/zinc/66/53/77/210665377.db2.gz OPAHGUPNAVHDSQ-AWEZNQCLSA-N 0 0 332.385 1.421 10 0 EDAERN O=C(C1CC=CC1)N1CC[C@H]2C(=O)N(c3cccnc3)CCO[C@H]2C1 ZINC000096209038 218686077 /nfs/dbraw/zinc/68/60/77/218686077.db2.gz MSCKKYJJZFCYHP-SJORKVTESA-N 0 0 341.411 1.628 10 0 EDAERN Nc1ccc(NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)cn1 ZINC000262537069 139284990 /nfs/dbraw/zinc/28/49/90/139284990.db2.gz BTCRRMRBUSSQPL-XMMPIXPASA-N 0 0 347.396 1.571 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H]1COc2ccccc21 ZINC000152747192 224006745 /nfs/dbraw/zinc/00/67/45/224006745.db2.gz BBKPIDUEJWXZHC-SNVBAGLBSA-N 0 0 325.777 1.729 10 0 EDAERN O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCN2CCCC[C@@H]2C1 ZINC000152778889 224010835 /nfs/dbraw/zinc/01/08/35/224010835.db2.gz BVTDYNBTEIWDTM-OAHLLOKOSA-N 0 0 329.379 1.717 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2CCOCC2)ncn1 ZINC000174487674 533048248 /nfs/dbraw/zinc/04/82/48/533048248.db2.gz PIORPMIINDDLOE-CQSZACIVSA-N 0 0 348.451 1.213 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC2(OC)CCC2)ncn1 ZINC000181616762 533051447 /nfs/dbraw/zinc/05/14/47/533051447.db2.gz SEYLYPTVMDDIIT-ZDUSSCGKSA-N 0 0 348.451 1.355 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000171380962 533072802 /nfs/dbraw/zinc/07/28/02/533072802.db2.gz SHBCIFNJLSKKMW-HUUCEWRRSA-N 0 0 331.416 1.887 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000162902990 533087163 /nfs/dbraw/zinc/08/71/63/533087163.db2.gz BCAKKRADMJMDQD-IUCAKERBSA-N 0 0 328.210 1.729 10 0 EDAERN CNc1ncc(Br)c(N2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000168789285 533087743 /nfs/dbraw/zinc/08/77/43/533087743.db2.gz WTYOLURGTDMIDT-MRVPVSSYSA-N 0 0 326.198 1.092 10 0 EDAERN COc1ccc(C(=O)CCCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112648757 220363338 /nfs/dbraw/zinc/36/33/38/220363338.db2.gz FFIIZUPPKWISTD-CQSZACIVSA-N 0 0 342.399 1.771 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000112656895 220365061 /nfs/dbraw/zinc/36/50/61/220365061.db2.gz MYMKMXXXVFSCIT-LBPRGKRZSA-N 0 0 346.822 1.672 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCCNC(=O)c1ccccc1 ZINC000187669867 533123252 /nfs/dbraw/zinc/12/32/52/533123252.db2.gz FNMRTKXAYHMILM-GOSISDBHSA-N 0 0 332.400 1.751 10 0 EDAERN CC[C@H](C)CS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000113291811 220514642 /nfs/dbraw/zinc/51/46/42/220514642.db2.gz XGZFJUNVRIFWJS-WFASDCNBSA-N 0 0 329.466 1.577 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)CC2 ZINC000114867281 220770960 /nfs/dbraw/zinc/77/09/60/220770960.db2.gz MFLHMTWZQKYGDI-DAOPMYJZSA-N 0 0 332.429 1.323 10 0 EDAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccco2)C1=O ZINC000116049175 220926315 /nfs/dbraw/zinc/92/63/15/220926315.db2.gz NWAFSYRBWYNBFV-YVEFUNNKSA-N 0 0 331.372 1.664 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1CC ZINC000116977211 221017965 /nfs/dbraw/zinc/01/79/65/221017965.db2.gz MBCXGMOXDSLERS-HNNXBMFYSA-N 0 0 334.464 1.721 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCN(CCOC)[C@H](C)C2)cc1 ZINC000117292574 221044822 /nfs/dbraw/zinc/04/48/22/221044822.db2.gz SKXRAZVLUUQFQW-OAHLLOKOSA-N 0 0 345.443 1.282 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C[C@@H]1C ZINC000117291631 221045205 /nfs/dbraw/zinc/04/52/05/221045205.db2.gz XKORMYPQAVNVNP-LFVRLGFBSA-N 0 0 338.473 1.358 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1C ZINC000117289364 221045414 /nfs/dbraw/zinc/04/54/14/221045414.db2.gz MFYHOHXVVBRWKE-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000117296938 221048214 /nfs/dbraw/zinc/04/82/14/221048214.db2.gz QHXMKWHSGJHFMA-HNNXBMFYSA-N 0 0 328.416 1.665 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1CCOC ZINC000117309267 221050571 /nfs/dbraw/zinc/05/05/71/221050571.db2.gz HDCUGTRBNUETEB-OAHLLOKOSA-N 0 0 344.415 1.919 10 0 EDAERN COCCN1CCN(C(=O)NCc2cc(F)ccc2F)C[C@@H]1C ZINC000117492613 221071702 /nfs/dbraw/zinc/07/17/02/221071702.db2.gz LIKCZZJIDNOOCT-LBPRGKRZSA-N 0 0 327.375 1.827 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC000117522324 221074175 /nfs/dbraw/zinc/07/41/75/221074175.db2.gz ATVSNJGPAIXCFL-CYBMUJFWSA-N 0 0 337.395 1.252 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C)c2)C[C@@H]1C ZINC000117522371 221074182 /nfs/dbraw/zinc/07/41/82/221074182.db2.gz VQSXITKSOFMOOI-ZDUSSCGKSA-N 0 0 337.395 1.252 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC000117522694 221074451 /nfs/dbraw/zinc/07/44/51/221074451.db2.gz ZBYXJLIKADZADZ-LLVKDONJSA-N 0 0 341.358 1.082 10 0 EDAERN COCCN1CCN(C(=O)NCCCn2nc(C)cc2C)C[C@@H]1C ZINC000117469549 221066664 /nfs/dbraw/zinc/06/66/64/221066664.db2.gz QOEQEYJVMCOERT-INIZCTEOSA-N 0 0 337.468 1.252 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1 ZINC000117812923 221091908 /nfs/dbraw/zinc/09/19/08/221091908.db2.gz BIYYILXVQNJMLA-LBPRGKRZSA-N 0 0 334.807 1.780 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000118081725 221112889 /nfs/dbraw/zinc/11/28/89/221112889.db2.gz RRUCDBKVHPQFCV-MRXNPFEDSA-N 0 0 342.447 1.675 10 0 EDAERN CC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000118808181 221187195 /nfs/dbraw/zinc/18/71/95/221187195.db2.gz QESKZVGDKPAJHB-OAHLLOKOSA-N 0 0 346.431 1.909 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CCO2)[nH]1 ZINC000119022484 221224865 /nfs/dbraw/zinc/22/48/65/221224865.db2.gz WYGGKMVJZNCXHB-VTPLQMEGSA-N 0 0 349.435 1.264 10 0 EDAERN C[C@H](CCNC(=O)c1ccc(Br)cc1N)[S@@](C)=O ZINC000119214181 221268669 /nfs/dbraw/zinc/26/86/69/221268669.db2.gz WAPFBKOMFYFLRM-CVJBHZAOSA-N 0 0 333.251 1.918 10 0 EDAERN COCCN1CCN(C(=O)NCCc2ccc(Cl)nc2)C[C@@H]1C ZINC000119303175 221290242 /nfs/dbraw/zinc/29/02/42/221290242.db2.gz FLKKGICQBRDYTN-ZDUSSCGKSA-N 0 0 340.855 1.640 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N2CCN(C3CC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000119342036 221299237 /nfs/dbraw/zinc/29/92/37/221299237.db2.gz MDYLVMJXHPZRHC-AEFFLSMTSA-N 0 0 345.418 1.652 10 0 EDAERN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1F ZINC000119472383 221328649 /nfs/dbraw/zinc/32/86/49/221328649.db2.gz MBUHVDRFYPKZOE-JTQLQIEISA-N 0 0 339.392 1.611 10 0 EDAERN CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000119753051 221392332 /nfs/dbraw/zinc/39/23/32/221392332.db2.gz NTUFHSKVEIKDQW-WBVHZDCISA-N 0 0 349.475 1.494 10 0 EDAERN CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000119753183 221392874 /nfs/dbraw/zinc/39/28/74/221392874.db2.gz NTUFHSKVEIKDQW-RDJZCZTQSA-N 0 0 349.475 1.494 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Oc1ccccc1 ZINC000155415815 224415034 /nfs/dbraw/zinc/41/50/34/224415034.db2.gz JRSNSOXWMVHAQF-TZMCWYRMSA-N 0 0 330.388 1.843 10 0 EDAERN COc1cc(N2CC[C@H]3[C@H]2CCN3C(=O)c2occc2C)ncn1 ZINC000253480632 257659523 /nfs/dbraw/zinc/65/95/23/257659523.db2.gz XXXULIUBGBPLBJ-OLZOCXBDSA-N 0 0 328.372 1.880 10 0 EDAERN Cc1ncoc1C(=O)N1C[C@H]2COC[C@@]2(c2nnc(C3CC3)o2)C1 ZINC000248063002 257667240 /nfs/dbraw/zinc/66/72/40/257667240.db2.gz WAMPSNPARDOPJQ-ZBEGNZNMSA-N 0 0 330.344 1.284 10 0 EDAERN O=C(NC[C@H]1CCC2(CN(Cc3ccncc3)C2)OC1)c1ccno1 ZINC000247498628 257681494 /nfs/dbraw/zinc/68/14/94/257681494.db2.gz PBDYOMNNDBPIJN-OAHLLOKOSA-N 0 0 342.399 1.481 10 0 EDAERN COCCO[C@@H]1CCN(C(=O)c2cc(C)on2)[C@@H]1Cc1cnn(C)c1 ZINC000248097908 257665786 /nfs/dbraw/zinc/66/57/86/257665786.db2.gz DHCIYHDPTXEWKU-HZPDHXFCSA-N 0 0 348.403 1.205 10 0 EDAERN CS(=O)(=O)[C@@H]1CCC[C@H](S(=O)(=O)c2ccc(N)c(F)c2)C1 ZINC000166092698 533430136 /nfs/dbraw/zinc/43/01/36/533430136.db2.gz ZGFPBAZQGXKYJC-ZJUUUORDSA-N 0 0 335.422 1.537 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)cs1 ZINC000163254282 533436493 /nfs/dbraw/zinc/43/64/93/533436493.db2.gz GWDHNYDIWLYIEX-UHFFFAOYSA-N 0 0 339.442 1.895 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2)[C@H](C)CO ZINC000158760232 533482036 /nfs/dbraw/zinc/48/20/36/533482036.db2.gz KSZOIFJMFKWPHI-HTQZYQBOSA-N 0 0 332.809 1.130 10 0 EDAERN COC(=O)[C@H]1COCCN1C(=O)c1cccc(N)c1Br ZINC000163396757 533498284 /nfs/dbraw/zinc/49/82/84/533498284.db2.gz UYVJINISKCZKAD-SNVBAGLBSA-N 0 0 343.177 1.045 10 0 EDAERN C[C@@H](Nc1ccc(S(N)(=O)=O)cc1Br)[C@@H]1CCOC1 ZINC000164005351 533557265 /nfs/dbraw/zinc/55/72/65/533557265.db2.gz VRJOYIISXDVJRZ-RKDXNWHRSA-N 0 0 349.250 1.933 10 0 EDAERN C[C@@H](Nc1nc[n-]c(=O)c1I)[C@H]1CCC[NH2+]C1 ZINC000164268189 533564900 /nfs/dbraw/zinc/56/49/00/533564900.db2.gz QVJFPZUUSOVTQG-SFYZADRCSA-N 0 0 348.188 1.175 10 0 EDAERN COC(=O)C[C@H](C)C(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000131269065 533671819 /nfs/dbraw/zinc/67/18/19/533671819.db2.gz NSVMQIFCWQFLTJ-LBPRGKRZSA-N 0 0 339.461 1.685 10 0 EDAERN O=S(=O)(N1CCCC1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000044406373 132414619 /nfs/dbraw/zinc/41/46/19/132414619.db2.gz NXZLOBUCTNCVHE-UHFFFAOYSA-N 0 0 347.444 1.092 10 0 EDAERN CN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CCCN(c2cccnn2)C1 ZINC000136361656 135609814 /nfs/dbraw/zinc/60/98/14/135609814.db2.gz CANDGMFTRYDCHT-ZDUSSCGKSA-N 0 0 340.431 1.820 10 0 EDAERN C[C@@H]1CN(c2ccnc(C(=O)N3CCC[C@@H]3C(N)=O)c2)C[C@H](C)O1 ZINC000330091830 140801775 /nfs/dbraw/zinc/80/17/75/140801775.db2.gz QGMQVYAFTYMSOL-TYNCELHUSA-N 0 0 332.404 1.835 10 0 EDAERN Cc1noc(C2CN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)C2)n1 ZINC000333016564 141250344 /nfs/dbraw/zinc/25/03/44/141250344.db2.gz HCKWFOXKFYEVAR-ZDUSSCGKSA-N 0 0 344.396 1.807 10 0 EDAERN CCn1cncc1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000333424967 141315950 /nfs/dbraw/zinc/31/59/50/141315950.db2.gz JCNNLQJHWCUMAL-NSHDSACASA-N 0 0 326.447 1.928 10 0 EDAERN CN(CC1CC(O)C1)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000333445318 141318116 /nfs/dbraw/zinc/31/81/16/141318116.db2.gz MQOBKKQSIIUFIF-UHFFFAOYSA-N 0 0 346.431 1.815 10 0 EDAERN Cc1c([C@H]2OCC[C@@H]2NS(=O)(=O)CC2CCCC2)cnn1C ZINC000333489892 141325903 /nfs/dbraw/zinc/32/59/03/141325903.db2.gz ZFSMQKOHZBBTHB-LSDHHAIUSA-N 0 0 327.450 1.668 10 0 EDAERN O=C(Nc1ccccc1O[C@@H]1CC(=O)N1)N1CCOCC2(CCC2)C1 ZINC000333850253 141394360 /nfs/dbraw/zinc/39/43/60/141394360.db2.gz NHBDNTRRZQYVDR-MRXNPFEDSA-N 0 0 345.399 1.946 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)C12CCCC2 ZINC000247036024 286242532 /nfs/dbraw/zinc/24/25/32/286242532.db2.gz RJIPOIWZRKRPMI-YNEHKIRRSA-N 0 0 332.466 1.120 10 0 EDAERN COc1ccc([C@H](CO)N(C)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000123050215 286373570 /nfs/dbraw/zinc/37/35/70/286373570.db2.gz CEMPNVHLDLBRNO-CABCVRRESA-N 0 0 345.403 1.497 10 0 EDAERN CCO[C@@H]1C[C@H](N[C@@H](C(=O)OC)c2cccnc2)C12CCOCC2 ZINC000248627064 286393567 /nfs/dbraw/zinc/39/35/67/286393567.db2.gz DZBCLEBCFAFOTK-ARFHVFGLSA-N 0 0 334.416 1.860 10 0 EDAERN COc1cccc([C@H]2CCN2C(=O)c2cc3n(n2)CCN(C)C3)c1 ZINC000065375778 286469331 /nfs/dbraw/zinc/46/93/31/286469331.db2.gz WSBNQJIGXDNZSS-QGZVFWFLSA-N 0 0 326.400 1.924 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)Nc2nnc(C)s2)C12CCOCC2 ZINC000185934981 286533119 /nfs/dbraw/zinc/53/31/19/286533119.db2.gz AKAQWSFRINFPRQ-QWRGUYRKSA-N 0 0 326.422 1.942 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@H]2CCCC[C@@H]2O)C1 ZINC000077148639 287286768 /nfs/dbraw/zinc/28/67/68/287286768.db2.gz BVWHDIUPCCBSJU-RDBSUJKOSA-N 0 0 326.437 1.911 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCOCC(F)(F)F ZINC000087057312 287318457 /nfs/dbraw/zinc/31/84/57/287318457.db2.gz SFFLJMOASGMFNL-SNVBAGLBSA-N 0 0 349.357 1.944 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(C)cc(OC)c2O)C[C@H]1C ZINC000117424638 287347065 /nfs/dbraw/zinc/34/70/65/287347065.db2.gz HQAGUMIQDZREJF-CQSZACIVSA-N 0 0 336.432 1.892 10 0 EDAERN CCn1ncc(Br)c1[C@@H](O)[C@H]1CCCCS1(=O)=O ZINC000158777444 225083463 /nfs/dbraw/zinc/08/34/63/225083463.db2.gz MDENEBATOBICMV-KOLCDFICSA-N 0 0 337.239 1.666 10 0 EDAERN COC(=O)[C@@H]1CCCCN1c1ncc(I)cn1 ZINC000159281234 225186998 /nfs/dbraw/zinc/18/69/98/225186998.db2.gz IXGVXAREOOKLHF-VIFPVBQESA-N 0 0 347.156 1.613 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164045756 226038834 /nfs/dbraw/zinc/03/88/34/226038834.db2.gz RQCZNKUNCTZFIJ-YPMHNXCESA-N 0 0 341.198 1.750 10 0 EDAERN COCCN(CCO)c1ccc(C(N)=S)cc1Br ZINC000164307688 226063025 /nfs/dbraw/zinc/06/30/25/226063025.db2.gz JYPNWBCNVRFSKE-UHFFFAOYSA-N 0 0 333.251 1.528 10 0 EDAERN [NH3+][C@H]1CCCCC[C@@H]1Nc1nc[n-]c(=O)c1I ZINC000164306716 226063063 /nfs/dbraw/zinc/06/30/63/226063063.db2.gz XIVWTGZTQHMOAP-YUMQZZPRSA-N 0 0 348.188 1.446 10 0 EDAERN O=S(=O)(N1CC=C(C(F)(F)F)CC1)N1CCCC[C@@H]1CO ZINC000167373493 226189234 /nfs/dbraw/zinc/18/92/34/226189234.db2.gz RGDGHJNCNHKSTM-LLVKDONJSA-N 0 0 328.356 1.272 10 0 EDAERN Cc1cc(N)ccc1S(=O)(=O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000165390948 226123743 /nfs/dbraw/zinc/12/37/43/226123743.db2.gz AQSDKEMJMQFHBY-STQMWFEESA-N 0 0 331.459 1.707 10 0 EDAERN [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC000165611925 226129777 /nfs/dbraw/zinc/12/97/77/226129777.db2.gz STWTXARRYZZLCU-SSDOTTSWSA-N 0 0 336.772 1.147 10 0 EDAERN Nc1cc(Br)ccc1[S@](=O)[C@@H]1CCS(=O)(=O)C1 ZINC000165726584 226133901 /nfs/dbraw/zinc/13/39/01/226133901.db2.gz ALSCLRNCVLEGBE-BCTVWOGZSA-N 0 0 338.248 1.326 10 0 EDAERN Cc1ccc(N)cc1S(=O)(=O)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000165979507 226143227 /nfs/dbraw/zinc/14/32/27/226143227.db2.gz QMBFZCDZCUXZJC-CHWSQXEVSA-N 0 0 331.459 1.707 10 0 EDAERN Cc1cc(C)c2c(N)c(C(=O)NC[C@@H](C)[S@@](C)=O)sc2n1 ZINC000166485302 226160236 /nfs/dbraw/zinc/16/02/36/226160236.db2.gz WRPBRXNCWTVISE-BTKVJGODSA-N 0 0 325.459 1.992 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1c1ccc(N)cc1I ZINC000167784657 226199063 /nfs/dbraw/zinc/19/90/63/226199063.db2.gz TVASWRBHAJNYPX-SCZZXKLOSA-N 0 0 348.184 1.459 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1CC(=O)Nc1cccc(Br)c1 ZINC000167872653 226202460 /nfs/dbraw/zinc/20/24/60/226202460.db2.gz BFQWSBRRXDJTJO-GXFFZTMASA-N 0 0 343.221 1.469 10 0 EDAERN O=C(c1ccc(I)cc1)N1CCOC[C@H]1CO ZINC000168175864 226209948 /nfs/dbraw/zinc/20/99/48/226209948.db2.gz GSUDIVQQBMZSIN-LLVKDONJSA-N 0 0 347.152 1.125 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1c1nc(Br)cn2ccnc12 ZINC000168294555 226212302 /nfs/dbraw/zinc/21/23/02/226212302.db2.gz JFKIXLRRIAVTHF-RKDXNWHRSA-N 0 0 327.182 1.078 10 0 EDAERN O=C(N1CCOC[C@H]1CO)C1(c2ccc(Br)cc2)CC1 ZINC000168571755 226220181 /nfs/dbraw/zinc/22/01/81/226220181.db2.gz GALKRFSJUWLGMV-CYBMUJFWSA-N 0 0 340.217 1.700 10 0 EDAERN C[C@H]1NC(=O)C(C)(C)N(Cc2cncc(Br)c2)C1=O ZINC000168879160 226224717 /nfs/dbraw/zinc/22/47/17/226224717.db2.gz CEYIBZDIBVRJBY-MRVPVSSYSA-N 0 0 326.194 1.470 10 0 EDAERN C[C@]1(C2CC2)NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168907908 226227004 /nfs/dbraw/zinc/22/70/04/226227004.db2.gz CAANCNNTZVTFHQ-CQSZACIVSA-N 0 0 338.205 1.471 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)CC(C)(C)CN2CCOCC2)c1 ZINC000127349244 287438057 /nfs/dbraw/zinc/43/80/57/287438057.db2.gz VDNKOFDUOHIVLI-UHFFFAOYSA-N 0 0 337.468 1.191 10 0 EDAERN O=C(NCc1ccccc1OCC1CC1)N[C@H]1CCc2ncnn2C1 ZINC000120668950 221641479 /nfs/dbraw/zinc/64/14/79/221641479.db2.gz WZSWPOWALVTREW-HNNXBMFYSA-N 0 0 341.415 1.881 10 0 EDAERN O=C(CCCNC(=O)c1cccnc1)N[C@H]1COc2ccccc21 ZINC000121340089 221819399 /nfs/dbraw/zinc/81/93/99/221819399.db2.gz YVEXJJOTWMTIHO-HNNXBMFYSA-N 0 0 325.368 1.842 10 0 EDAERN COc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)c(OC)c1OC ZINC000122194892 222034286 /nfs/dbraw/zinc/03/42/86/222034286.db2.gz XTIYQMLQFNRSSG-OAHLLOKOSA-N 0 0 347.415 1.810 10 0 EDAERN NC(=O)[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000122534778 222106867 /nfs/dbraw/zinc/10/68/67/222106867.db2.gz TVNXOQFZXAZXMM-NEPJUHHUSA-N 0 0 345.321 1.056 10 0 EDAERN Cc1noc(CCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000122348093 222068716 /nfs/dbraw/zinc/06/87/16/222068716.db2.gz GGSWYNVHWSYJHE-ZDUSSCGKSA-N 0 0 330.392 1.228 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000122737710 222147839 /nfs/dbraw/zinc/14/78/39/222147839.db2.gz QWOFSCOSWKDFQR-RISCZKNCSA-N 0 0 347.868 1.698 10 0 EDAERN Cc1cccc(N2CCN(C(=O)CN3[C@@H](C)COC[C@@H]3C)CC2)c1 ZINC000172667468 227828757 /nfs/dbraw/zinc/82/87/57/227828757.db2.gz MBJLVWFLJZWBOT-IRXDYDNUSA-N 0 0 331.460 1.753 10 0 EDAERN O=S(=O)(C[C@@H]1CCCCO1)N1CCC(Nc2cccnn2)CC1 ZINC000172679705 227834741 /nfs/dbraw/zinc/83/47/41/227834741.db2.gz DQVSOGMCIAXKMP-AWEZNQCLSA-N 0 0 340.449 1.252 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)CN1CCCC1=O)c1ccc(Cl)cc1 ZINC000193858500 272998851 /nfs/dbraw/zinc/99/88/51/272998851.db2.gz VEQDRPJLFJZBIR-HNNXBMFYSA-N 0 0 338.791 1.683 10 0 EDAERN Cc1cc(CNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)on1 ZINC000194651259 273004487 /nfs/dbraw/zinc/00/44/87/273004487.db2.gz WASCAOMVIKQXKJ-JTQLQIEISA-N 0 0 338.389 1.191 10 0 EDAERN CN(C[C@H](O)C(F)(F)F)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000181553296 267645750 /nfs/dbraw/zinc/64/57/50/267645750.db2.gz AIHJEQAOOMODIQ-ZJUUUORDSA-N 0 0 340.342 1.768 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCCCn2ccnc2)C12CCOCC2 ZINC000184708588 267684309 /nfs/dbraw/zinc/68/43/09/267684309.db2.gz RZTJBBFJXNFUSV-HUUCEWRRSA-N 0 0 336.436 1.547 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)NCCOCC(F)F)CC2)n1 ZINC000190269809 267791832 /nfs/dbraw/zinc/79/18/32/267791832.db2.gz WZIQROGMTIXJFU-SNVBAGLBSA-N 0 0 347.366 1.048 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000193760008 267847656 /nfs/dbraw/zinc/84/76/56/267847656.db2.gz JMFDUELNBGBFFA-UHFFFAOYSA-N 0 0 328.376 1.482 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000098099158 272917938 /nfs/dbraw/zinc/91/79/38/272917938.db2.gz QGOCKNBNJXNHNL-INIZCTEOSA-N 0 0 329.400 1.230 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000163588332 272931523 /nfs/dbraw/zinc/93/15/23/272931523.db2.gz QVTNSCDJEDFPON-OAHLLOKOSA-N 0 0 343.383 1.969 10 0 EDAERN CC(C)(C)C[C@@H]1CN(CN2CCO[C@@H](Cn3cccn3)C2)C(=O)O1 ZINC000248868935 287782454 /nfs/dbraw/zinc/78/24/54/287782454.db2.gz BJDZQICVHSRAET-HUUCEWRRSA-N 0 0 336.436 1.798 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000248407570 287891266 /nfs/dbraw/zinc/89/12/66/287891266.db2.gz DHSBKHHORUWFAY-SZVBFZGTSA-N 0 0 332.444 1.463 10 0 EDAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc21 ZINC000004668989 277012537 /nfs/dbraw/zinc/01/25/37/277012537.db2.gz KBSGTAVCPDTUMW-VXGBXAGGSA-N 0 0 338.429 1.394 10 0 EDAERN CN1CCO[C@H]2CN(C(=O)Nc3ccn(-c4ccccc4)n3)C[C@@H]21 ZINC000134529577 277130612 /nfs/dbraw/zinc/13/06/12/277130612.db2.gz DSVHGYPKADNLHI-GJZGRUSLSA-N 0 0 327.388 1.419 10 0 EDAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)nn1 ZINC000174853429 278284571 /nfs/dbraw/zinc/28/45/71/278284571.db2.gz LLRJOJMPTDFAGG-CQSZACIVSA-N 0 0 344.419 1.984 10 0 EDAERN Cn1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCCCC3)CC2=O)cn1 ZINC000177829894 279340150 /nfs/dbraw/zinc/34/01/50/279340150.db2.gz FHKKROVKEAFEIR-JKSUJKDBSA-N 0 0 330.432 1.812 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@@]12CCCO2 ZINC000333624161 280051477 /nfs/dbraw/zinc/05/14/77/280051477.db2.gz QBBPWRCKTKPURI-YDHLFZDLSA-N 0 0 330.450 1.163 10 0 EDAERN COC(=O)C[C@H](C)S(=O)(=O)Cc1ccc(Br)cn1 ZINC000166959869 533691697 /nfs/dbraw/zinc/69/16/97/533691697.db2.gz KRYZXTPYKZQBRO-QMMMGPOBSA-N 0 0 336.207 1.711 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181352087 533692251 /nfs/dbraw/zinc/69/22/51/533692251.db2.gz SCPATAGCNDFWBZ-AWEZNQCLSA-N 0 0 345.451 1.680 10 0 EDAERN CN1CC[C@@H](NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000158205746 290135524 /nfs/dbraw/zinc/13/55/24/290135524.db2.gz ZGYFXLZKKKAQGX-OLZOCXBDSA-N 0 0 346.435 1.082 10 0 EDAERN CNC(=O)NC(=O)CN1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000111308446 290485174 /nfs/dbraw/zinc/48/51/74/290485174.db2.gz FJXSUFKCDBERQH-ZDUSSCGKSA-N 0 0 339.823 1.948 10 0 EDAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091782413 293143436 /nfs/dbraw/zinc/14/34/36/293143436.db2.gz HVLFROVGCNYQQY-LBPRGKRZSA-N 0 0 331.397 1.445 10 0 EDAERN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093884994 293683206 /nfs/dbraw/zinc/68/32/06/293683206.db2.gz HXQBGKYPJHOZEH-IUODEOHRSA-N 0 0 332.791 1.663 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000091780387 295120369 /nfs/dbraw/zinc/12/03/69/295120369.db2.gz IWPJXLMMKHJXHA-JTQLQIEISA-N 0 0 336.697 1.685 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(C)(C)NS(C)(=O)=O ZINC000173570895 302774749 /nfs/dbraw/zinc/77/47/49/302774749.db2.gz JBVUFLLKADXNMW-GFCCVEGCSA-N 0 0 342.465 1.028 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2c(F)cccc2F)n1 ZINC000183748562 302856608 /nfs/dbraw/zinc/85/66/08/302856608.db2.gz YEHDUROOENDRPE-LLVKDONJSA-N 0 0 345.327 1.418 10 0 EDAERN NC(=O)CN1CCC(C(=O)N2CCCC[C@@H]2c2ccccn2)CC1 ZINC000091860318 303250084 /nfs/dbraw/zinc/25/00/84/303250084.db2.gz UACGAFKXLNKUTO-MRXNPFEDSA-N 0 0 330.432 1.333 10 0 EDAERN Cn1cc(Br)c(CNC[C@@H](O)COCc2ccco2)n1 ZINC000393354675 303852259 /nfs/dbraw/zinc/85/22/59/303852259.db2.gz KVYFEKDZTJAKFL-SNVBAGLBSA-N 0 0 344.209 1.443 10 0 EDAERN COCC(=O)NC1CN(C(=O)/C=C\c2nc3ccccc3s2)C1 ZINC000492748075 305599919 /nfs/dbraw/zinc/59/99/19/305599919.db2.gz WRSIHQDLQBVIQF-SREVYHEPSA-N 0 0 331.397 1.283 10 0 EDAERN O=C(NCCCOCC1CC1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000043752590 440795360 /nfs/dbraw/zinc/79/53/60/440795360.db2.gz ZWPBTOHMRDFJGZ-MRXNPFEDSA-N 0 0 329.404 1.390 10 0 EDAERN COC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1 ZINC000001720422 440852510 /nfs/dbraw/zinc/85/25/10/440852510.db2.gz FBFNJDZYIIOJMK-UHFFFAOYSA-N 0 0 339.359 1.007 10 0 in-vitro EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NC(C)C ZINC000008166543 441085072 /nfs/dbraw/zinc/08/50/72/441085072.db2.gz UMOQPVLPDIPTHL-BBRMVZONSA-N 0 0 333.432 1.472 10 0 EDAERN O=C(NC[C@@H]1CCCOC1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000057161996 441094188 /nfs/dbraw/zinc/09/41/88/441094188.db2.gz JFSUJLZCYLMCQF-JSGCOSHPSA-N 0 0 338.429 1.631 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1)[C@H]1CCCO1 ZINC000071065371 441137868 /nfs/dbraw/zinc/13/78/68/441137868.db2.gz SAZLXIVSDQAOMX-XHDPSFHLSA-N 0 0 346.362 1.634 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000104780472 441208612 /nfs/dbraw/zinc/20/86/12/441208612.db2.gz GSRTWQGWGMDBRP-QGZVFWFLSA-N 0 0 343.431 1.045 10 0 EDAERN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCS[C@@H](C)C1 ZINC000104901266 441219874 /nfs/dbraw/zinc/21/98/74/441219874.db2.gz FVJVKFSRVCBQAD-GXTWGEPZSA-N 0 0 346.460 1.817 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1cccs1 ZINC000081451115 441271670 /nfs/dbraw/zinc/27/16/70/441271670.db2.gz QTSHBMIGRRVJOL-JTQLQIEISA-N 0 0 326.418 1.667 10 0 EDAERN CC(C)C[C@H](C)N(C)C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105800068 441273405 /nfs/dbraw/zinc/27/34/05/441273405.db2.gz KIKHNJRAUDJBCN-INIZCTEOSA-N 0 0 333.480 1.882 10 0 EDAERN CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000081486013 441276883 /nfs/dbraw/zinc/27/68/83/441276883.db2.gz MQSHUMSOKFZIJP-HOTGVXAUSA-N 0 0 333.432 1.787 10 0 EDAERN COCCN1CCN(CC(=O)NCc2ccccc2COC)C[C@H]1C ZINC000105833881 441287303 /nfs/dbraw/zinc/28/73/03/441287303.db2.gz XNKWKPIURBJBAZ-MRXNPFEDSA-N 0 0 349.475 1.102 10 0 EDAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000105852880 441291874 /nfs/dbraw/zinc/29/18/74/441291874.db2.gz QFYSSRLEQCJNQT-UONOGXRCSA-N 0 0 335.452 1.836 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)Cn3c(C)c(C)sc3=O)C2)c1 ZINC000105860076 441292798 /nfs/dbraw/zinc/29/27/98/441292798.db2.gz OLMUZBACCRFSGY-CQSZACIVSA-N 0 0 334.445 1.895 10 0 EDAERN CCCCCNC(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000106152427 441327777 /nfs/dbraw/zinc/32/77/77/441327777.db2.gz DODWCMUPEHCRNH-HNNXBMFYSA-N 0 0 349.479 1.692 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000106378642 441335511 /nfs/dbraw/zinc/33/55/11/441335511.db2.gz WMAJXMCSKASCDX-CQSZACIVSA-N 0 0 341.481 1.598 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000106398227 441339344 /nfs/dbraw/zinc/33/93/44/441339344.db2.gz QIFWDDPTQHWPIS-AWEZNQCLSA-N 0 0 330.388 1.265 10 0 EDAERN Fc1ccc(-c2noc(CN3CCO[C@H](Cn4cccn4)C3)n2)cc1 ZINC000105889073 441307595 /nfs/dbraw/zinc/30/75/95/441307595.db2.gz SQONCYXHOHDFJT-HNNXBMFYSA-N 0 0 343.362 1.973 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)NCc3cccs3)CCO2)c1 ZINC000105891413 441309036 /nfs/dbraw/zinc/30/90/36/441309036.db2.gz QYNRYDFKFRFRFT-CQSZACIVSA-N 0 0 334.445 1.270 10 0 EDAERN COC(=O)c1cccc(OCCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105890716 441309303 /nfs/dbraw/zinc/30/93/03/441309303.db2.gz GCRBFVXMVKUUFE-QGZVFWFLSA-N 0 0 345.399 1.450 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000105903332 441313922 /nfs/dbraw/zinc/31/39/22/441313922.db2.gz XKKFYPSXSCOLSW-KGLIPLIRSA-N 0 0 326.441 1.097 10 0 EDAERN COc1ccc(-c2noc(CN3CCO[C@H](C[NH+](C)C)C3)n2)cc1 ZINC000105927457 441317298 /nfs/dbraw/zinc/31/72/98/441317298.db2.gz ZVEJAKUPLKIVPO-OAHLLOKOSA-N 0 0 332.404 1.508 10 0 EDAERN CC(C)NC(=O)N1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000064893680 441395959 /nfs/dbraw/zinc/39/59/59/441395959.db2.gz PHSORVKJNVAIKK-UHFFFAOYSA-N 0 0 333.436 1.522 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000083741782 441373967 /nfs/dbraw/zinc/37/39/67/441373967.db2.gz CFPYCKPEIUUHGY-CYBMUJFWSA-N 0 0 343.387 1.992 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000083755069 441375387 /nfs/dbraw/zinc/37/53/87/441375387.db2.gz DRXLGSKJSPFPRO-ZDUSSCGKSA-N 0 0 331.351 1.624 10 0 EDAERN CN(C)c1cc(N2CCC[C@@H](NC(=O)Cc3ccsc3)C2)ncn1 ZINC000065269123 441413401 /nfs/dbraw/zinc/41/34/01/441413401.db2.gz NTAGDGCMWKKJST-CQSZACIVSA-N 0 0 345.472 1.932 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000028276696 441429635 /nfs/dbraw/zinc/42/96/35/441429635.db2.gz QJDMARWIUISHEY-OAHLLOKOSA-N 0 0 342.436 1.689 10 0 EDAERN C[C@]1(n2cc(C3=CCN(CCCF)CC3)cn2)CCS(=O)(=O)C1 ZINC000065422686 441430349 /nfs/dbraw/zinc/43/03/49/441430349.db2.gz RKWZVPRDGNOTOR-INIZCTEOSA-N 0 0 341.452 1.866 10 0 EDAERN Cc1csc([C@@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)n1 ZINC000108858194 441478041 /nfs/dbraw/zinc/47/80/41/441478041.db2.gz LAJKIOJTXJCVNF-LBPRGKRZSA-N 0 0 331.401 1.361 10 0 EDAERN C[C@H](CNC(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000029957861 441479398 /nfs/dbraw/zinc/47/93/98/441479398.db2.gz KOHNBXQFGNUCCL-LLVKDONJSA-N 0 0 327.222 1.900 10 0 EDAERN O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CNC(=O)C1 ZINC000108892796 441480173 /nfs/dbraw/zinc/48/01/73/441480173.db2.gz HIPNGEUYLYGYFT-AWEZNQCLSA-N 0 0 334.379 1.982 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087563189 441493610 /nfs/dbraw/zinc/49/36/10/441493610.db2.gz DJCPJPQZSYEVLH-NSHDSACASA-N 0 0 326.360 1.275 10 0 EDAERN COCCn1c(C)cc(C(=O)CN2CCC[C@@H](C(=O)OC)C2)c1C ZINC000085792376 441450797 /nfs/dbraw/zinc/45/07/97/441450797.db2.gz FQQUQMMCSDNAPA-OAHLLOKOSA-N 0 0 336.432 1.819 10 0 EDAERN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cc(C2CC2)on1 ZINC000065565461 441461538 /nfs/dbraw/zinc/46/15/38/441461538.db2.gz GJFHZGHONLWPHW-ZFWWWQNUSA-N 0 0 335.404 1.019 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(OC)cc1 ZINC000088786980 441522482 /nfs/dbraw/zinc/52/24/82/441522482.db2.gz NCCPBKGYUMAWLC-CYBMUJFWSA-N 0 0 336.417 1.663 10 0 EDAERN O=S(=O)(c1ccc(F)cc1)c1ccc(N(CCO)CCO)cc1 ZINC000032275134 441549580 /nfs/dbraw/zinc/54/95/80/441549580.db2.gz LRZZWAOAPDGSMP-UHFFFAOYSA-N 0 0 339.388 1.450 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000109694414 441503106 /nfs/dbraw/zinc/50/31/06/441503106.db2.gz ZNKFSZXYDHJXNE-YGRLFVJLSA-N 0 0 339.823 1.669 10 0 EDAERN COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000076078486 441593588 /nfs/dbraw/zinc/59/35/88/441593588.db2.gz WXMVDVDJZRYGTI-BBRMVZONSA-N 0 0 345.443 1.936 10 0 EDAERN C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(C(C)(C)C)cc1 ZINC000113376438 441604270 /nfs/dbraw/zinc/60/42/70/441604270.db2.gz RAMBVULUWBWDJJ-LBPRGKRZSA-N 0 0 346.431 1.896 10 0 EDAERN CNS(=O)(=O)c1ccc(CNc2ncnc3nc(N)ccc32)cc1 ZINC000090070384 441618639 /nfs/dbraw/zinc/61/86/39/441618639.db2.gz UTPPTZSXHSXSEZ-UHFFFAOYSA-N 0 0 344.400 1.127 10 0 EDAERN CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CCc3nc(CC)nn3C2)C1 ZINC000114865730 441693023 /nfs/dbraw/zinc/69/30/23/441693023.db2.gz JRHOTUMXCLPAKF-STQMWFEESA-N 0 0 349.435 1.140 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C)cc1F)CC2 ZINC000114874170 441694413 /nfs/dbraw/zinc/69/44/13/441694413.db2.gz JKBHXZRJRVZSAN-LLVKDONJSA-N 0 0 338.408 1.581 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCN1CCOCC1 ZINC000114580893 441668158 /nfs/dbraw/zinc/66/81/58/441668158.db2.gz YVJPAFBPHUONAL-OAHLLOKOSA-N 0 0 335.452 1.216 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000115387610 441733596 /nfs/dbraw/zinc/73/35/96/441733596.db2.gz LSNBBRCHJIHHOE-UHFFFAOYSA-N 0 0 329.404 1.096 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)C2)n1 ZINC000173420209 441744254 /nfs/dbraw/zinc/74/42/54/441744254.db2.gz XKJAZQBKFCDLKM-GFCCVEGCSA-N 0 0 335.429 1.697 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccncc2)ncn1 ZINC000173426439 441745567 /nfs/dbraw/zinc/74/55/67/441745567.db2.gz TUIONQZJBJKXRA-HNNXBMFYSA-N 0 0 340.431 1.631 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cn2nc(C)cc2C)ncn1 ZINC000173435325 441750439 /nfs/dbraw/zinc/75/04/39/441750439.db2.gz VJGNURDALKLQCK-AWEZNQCLSA-N 0 0 343.435 1.117 10 0 EDAERN COc1ccc([C@H](CO)N(C)C(=O)NCCn2cc(C)cn2)cc1 ZINC000121650908 441751789 /nfs/dbraw/zinc/75/17/89/441751789.db2.gz NNHJHLAWRAFJRM-INIZCTEOSA-N 0 0 332.404 1.575 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CCc1c(C)nc2ncnn2c1C ZINC000042647467 441763659 /nfs/dbraw/zinc/76/36/59/441763659.db2.gz IGFKAQWUJUNQTL-AWEZNQCLSA-N 0 0 345.403 1.228 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc(C)cc3F)CCO2)[nH]1 ZINC000173356642 441722211 /nfs/dbraw/zinc/72/22/11/441722211.db2.gz RBDCKZMSXZRIDB-NHYWBVRUSA-N 0 0 347.394 1.961 10 0 EDAERN O=C(c1cn(Cc2cccs2)nn1)N1CCN2CCCC[C@H]2C1 ZINC000173366258 441725837 /nfs/dbraw/zinc/72/58/37/441725837.db2.gz ZTSNYPBPSPRBNP-ZDUSSCGKSA-N 0 0 331.445 1.698 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000158341240 441727073 /nfs/dbraw/zinc/72/70/73/441727073.db2.gz AYTQHOWAIXZIKR-IUODEOHRSA-N 0 0 326.418 1.474 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Cc3cc(F)ccc3F)CCO2)[nH]1 ZINC000173582433 441799208 /nfs/dbraw/zinc/79/92/08/441799208.db2.gz DUTKSJZQWSGINX-CYBMUJFWSA-N 0 0 336.342 1.788 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCC(=O)N3CCCCCC3)C2)cn1 ZINC000116426468 441821089 /nfs/dbraw/zinc/82/10/89/441821089.db2.gz POBBDWOMVIAPHH-OAHLLOKOSA-N 0 0 347.463 1.712 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000173605611 441804387 /nfs/dbraw/zinc/80/43/87/441804387.db2.gz RGYQRDJFYQXGSZ-AWEZNQCLSA-N 0 0 343.387 1.675 10 0 EDAERN CC(C)(CNC(=O)CN1CCC[C@H]1c1ccco1)N1CCOCC1 ZINC000116291030 441809465 /nfs/dbraw/zinc/80/94/65/441809465.db2.gz YDZISNCKYQMZMD-HNNXBMFYSA-N 0 0 335.448 1.644 10 0 EDAERN COc1cccc(S(=O)(=O)CCN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116315566 441810505 /nfs/dbraw/zinc/81/05/05/441810505.db2.gz FODSNFQGSZJWBQ-AWEZNQCLSA-N 0 0 349.456 1.692 10 0 EDAERN COCc1ccccc1CNC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116311837 441811756 /nfs/dbraw/zinc/81/17/56/441811756.db2.gz RDFSFFYALMPFKA-INIZCTEOSA-N 0 0 342.443 1.672 10 0 EDAERN Cn1cc([C@@H]2CCN(CCNS(=O)(=O)c3ccccc3)C2)cn1 ZINC000116322642 441813088 /nfs/dbraw/zinc/81/30/88/441813088.db2.gz WAGZFLMJOLOMBO-CQSZACIVSA-N 0 0 334.445 1.188 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCS1 ZINC000116340695 441814587 /nfs/dbraw/zinc/81/45/87/441814587.db2.gz AIXSLGFBWGXBAO-JTQLQIEISA-N 0 0 326.443 1.099 10 0 EDAERN COc1ccccc1NCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173957852 441869705 /nfs/dbraw/zinc/86/97/05/441869705.db2.gz XMGBSLHMFSTEQX-ZBFHGGJFSA-N 0 0 333.432 1.286 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NCCCC1CCCCC1 ZINC000173985474 441875007 /nfs/dbraw/zinc/87/50/07/441875007.db2.gz CSTDEPUKNSFVHN-SFHVURJKSA-N 0 0 337.508 1.870 10 0 EDAERN Cc1nccn1-c1cncc(N2CCCN(C(=O)C(C)C)CC2)n1 ZINC000092894733 441837356 /nfs/dbraw/zinc/83/73/56/441837356.db2.gz UIWGVBWXVOMBRL-UHFFFAOYSA-N 0 0 328.420 1.665 10 0 EDAERN CCc1nc(C2(NC[C@@H](O)COC[C@@H]3CCCO3)CCCC2)no1 ZINC000174234874 441906041 /nfs/dbraw/zinc/90/60/41/441906041.db2.gz QLFVEGQNQGINDC-KGLIPLIRSA-N 0 0 339.436 1.547 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1ccnn1C1CCCC1 ZINC000173995600 441876073 /nfs/dbraw/zinc/87/60/73/441876073.db2.gz ODNBKQUWZXQLEM-MRXNPFEDSA-N 0 0 347.463 1.343 10 0 EDAERN NC(=O)[C@H]1CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000069563742 441975540 /nfs/dbraw/zinc/97/55/40/441975540.db2.gz RVFLHXPAEOYRFW-LBPRGKRZSA-N 0 0 346.362 1.540 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc3c(c1)nnn3C)CC2 ZINC000150711691 441934101 /nfs/dbraw/zinc/93/41/01/441934101.db2.gz QWNZIVXKNQXOOL-GFCCVEGCSA-N 0 0 339.403 1.428 10 0 EDAERN CC[C@@H]1CN(C(=O)Nc2ccn(CCOC)n2)CCN1CCOC ZINC000150821743 441957672 /nfs/dbraw/zinc/95/76/72/441957672.db2.gz AVPWTQHAGUBKQX-CQSZACIVSA-N 0 0 339.440 1.104 10 0 EDAERN C[C@H](NC(=O)CNC(=O)c1cccs1)c1nnc2n1CCCC2 ZINC000150973164 441984428 /nfs/dbraw/zinc/98/44/28/441984428.db2.gz MRHFLQGBPGVJTH-JTQLQIEISA-N 0 0 333.417 1.283 10 0 EDAERN Cc1ccc(CCC(=O)NCC(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000150985900 441985717 /nfs/dbraw/zinc/98/57/17/441985717.db2.gz JJOOZOIRRLIFBT-IRXDYDNUSA-N 0 0 332.444 1.711 10 0 EDAERN O=C(NCCN1CCOCC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000151135370 442011796 /nfs/dbraw/zinc/01/17/96/442011796.db2.gz DQFALFNSEYUWBW-AWEZNQCLSA-N 0 0 345.365 1.791 10 0 EDAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000151139099 442013108 /nfs/dbraw/zinc/01/31/08/442013108.db2.gz NGLRMFHQXDXKTN-FMKPAKJESA-N 0 0 339.461 1.757 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175193674 442014938 /nfs/dbraw/zinc/01/49/38/442014938.db2.gz LXWSZZKULANOJW-INIZCTEOSA-N 0 0 335.496 1.410 10 0 EDAERN Cc1ccn2c(c1)ncc(C(=O)N1CC[C@]3(O)CCCC[C@@H]3C1)c2=O ZINC000120223071 442032078 /nfs/dbraw/zinc/03/20/78/442032078.db2.gz GXOYCOUUUOIUJV-AUUYWEPGSA-N 0 0 341.411 1.770 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cn(C)c(=O)cc1C ZINC000161801526 442034743 /nfs/dbraw/zinc/03/47/43/442034743.db2.gz XWIYBUBBLNGXNY-NSHDSACASA-N 0 0 330.392 1.504 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)C[C@@H](O)C(C)C)N2CCOCC2)s1 ZINC000161874394 442039246 /nfs/dbraw/zinc/03/92/46/442039246.db2.gz AUNWEDJFUMKEGM-HUUCEWRRSA-N 0 0 340.489 1.953 10 0 EDAERN O=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1CCCn2ncnc21 ZINC000151372340 442050847 /nfs/dbraw/zinc/05/08/47/442050847.db2.gz BUKOUAGPSUQMBR-CQSZACIVSA-N 0 0 329.408 1.924 10 0 EDAERN CCc1onc(C)c1C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175420973 442059749 /nfs/dbraw/zinc/05/97/49/442059749.db2.gz HSFDQBVTPHPXEV-GFCCVEGCSA-N 0 0 345.403 1.513 10 0 EDAERN C=CC(=O)NCCC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000162143112 442068484 /nfs/dbraw/zinc/06/84/84/442068484.db2.gz ZGZXUWBCNMHRAA-UHFFFAOYSA-N 0 0 342.399 1.477 10 0 EDAERN CCNC(=O)NC(=O)CN[C@@H](C)c1ccccc1Br ZINC000120523424 442087983 /nfs/dbraw/zinc/08/79/83/442087983.db2.gz KHZNSJWMQUCSNX-VIFPVBQESA-N 0 0 328.210 1.945 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000175728138 442112815 /nfs/dbraw/zinc/11/28/15/442112815.db2.gz ZLOAFJGUNKEGNC-AWEZNQCLSA-N 0 0 336.432 1.631 10 0 EDAERN O=C(COc1ccccc1O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000151744977 442114115 /nfs/dbraw/zinc/11/41/15/442114115.db2.gz DMVSFHFOIDUEOM-CYBMUJFWSA-N 0 0 328.372 1.346 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cn(CCC(C)C)nn2)C1 ZINC000151745332 442114153 /nfs/dbraw/zinc/11/41/53/442114153.db2.gz VXAHZNHSMBMCDS-AWEZNQCLSA-N 0 0 345.451 1.955 10 0 EDAERN Cc1nccn1CCCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175813212 442128226 /nfs/dbraw/zinc/12/82/26/442128226.db2.gz RTWVJHDXEMPADS-DOTOQJQBSA-N 0 0 349.479 1.334 10 0 EDAERN CCOC(=O)C1(C(=O)N2CCCN(c3ccc(C)nn3)CC2)CCC1 ZINC000126657611 442131018 /nfs/dbraw/zinc/13/10/18/442131018.db2.gz YHRVVVRETGMOFN-UHFFFAOYSA-N 0 0 346.431 1.557 10 0 EDAERN Cc1c(CCC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cnn1C ZINC000126737839 442139747 /nfs/dbraw/zinc/13/97/47/442139747.db2.gz GMOKVVOHFNICQJ-AWEZNQCLSA-N 0 0 330.436 1.507 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000175888149 442141214 /nfs/dbraw/zinc/14/12/14/442141214.db2.gz ATWVPJZBMLLBDE-QWHCGFSZSA-N 0 0 335.408 1.216 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000176054100 442167624 /nfs/dbraw/zinc/16/76/24/442167624.db2.gz NEEMKWQZZBAWEN-UHFFFAOYSA-N 0 0 330.392 1.532 10 0 EDAERN CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176097324 442175479 /nfs/dbraw/zinc/17/54/79/442175479.db2.gz UGNHCOMYLYLEPF-CYBMUJFWSA-N 0 0 329.360 1.267 10 0 EDAERN CSc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000176100141 442176612 /nfs/dbraw/zinc/17/66/12/442176612.db2.gz HBYGZNUPMPFGPX-GFCCVEGCSA-N 0 0 331.401 1.590 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1cccs1 ZINC000176170932 442185747 /nfs/dbraw/zinc/18/57/47/442185747.db2.gz IURDHIUPSBJCLF-ZJUUUORDSA-N 0 0 342.446 1.026 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000127457900 442204875 /nfs/dbraw/zinc/20/48/75/442204875.db2.gz UNYVCCUYXNJESX-CQSZACIVSA-N 0 0 325.372 1.886 10 0 EDAERN Cc1cc(CNC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)on1 ZINC000176178135 442186164 /nfs/dbraw/zinc/18/61/64/442186164.db2.gz KHFIDWNSTYQQPH-ZDUSSCGKSA-N 0 0 346.391 1.020 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000121176654 442187853 /nfs/dbraw/zinc/18/78/53/442187853.db2.gz CQYLRUGOYAJVEM-ZDUSSCGKSA-N 0 0 331.424 1.471 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCc2ccc(Br)cc2)C1 ZINC000176213921 442192070 /nfs/dbraw/zinc/19/20/70/442192070.db2.gz RNPXDRSSDPITSA-CQSZACIVSA-N 0 0 341.249 1.829 10 0 EDAERN Cn1cc([C@@]2(C)CN(C(=O)Cc3cn4ccccc4n3)CCO2)cn1 ZINC000127358056 442196112 /nfs/dbraw/zinc/19/61/12/442196112.db2.gz STEZBTCEWMDLKA-GOSISDBHSA-N 0 0 339.399 1.385 10 0 EDAERN COC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C(=O)NCC(C)(C)OC ZINC000121310544 442201621 /nfs/dbraw/zinc/20/16/21/442201621.db2.gz ABVCNDHMWGZQJQ-STQMWFEESA-N 0 0 328.453 1.485 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000120949737 442156626 /nfs/dbraw/zinc/15/66/26/442156626.db2.gz VLDRZBXAEFCQFY-KBPBESRZSA-N 0 0 325.405 1.729 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000176000651 442159330 /nfs/dbraw/zinc/15/93/30/442159330.db2.gz KYHCRIDAJUZCCH-AWEZNQCLSA-N 0 0 343.387 1.010 10 0 EDAERN O=C(CNC(=O)N[C@H]1CCCC[C@@H]1CO)N1CCc2ccccc21 ZINC000176034995 442163784 /nfs/dbraw/zinc/16/37/84/442163784.db2.gz PWEPIEVIBNLPFC-CABCVRRESA-N 0 0 331.416 1.426 10 0 EDAERN CN(C(=O)NCCc1cccnc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152101470 442165408 /nfs/dbraw/zinc/16/54/08/442165408.db2.gz IZFYQHDNJCYONF-MRXNPFEDSA-N 0 0 340.431 1.725 10 0 EDAERN CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccccc1F ZINC000170718620 442251932 /nfs/dbraw/zinc/25/19/32/442251932.db2.gz PFBAUCNITPCFOJ-LBPRGKRZSA-N 0 0 328.343 1.919 10 0 EDAERN COc1ccc(C)nc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000128211058 442252132 /nfs/dbraw/zinc/25/21/32/442252132.db2.gz VQJRCVFSUNHXKQ-TZMCWYRMSA-N 0 0 334.420 1.583 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)CCOc2ccc(C(N)=O)cc2)cn1 ZINC000176298520 442207059 /nfs/dbraw/zinc/20/70/59/442207059.db2.gz NEYFAPWMPWONJR-MRXNPFEDSA-N 0 0 342.399 1.652 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000176308282 442208244 /nfs/dbraw/zinc/20/82/44/442208244.db2.gz SLVGDJSGCNWGKW-RKDXNWHRSA-N 0 0 330.504 1.988 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 ZINC000127579559 442212816 /nfs/dbraw/zinc/21/28/16/442212816.db2.gz SGXYXCYWQNMDAT-CQSZACIVSA-N 0 0 327.388 1.316 10 0 EDAERN O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127584555 442213727 /nfs/dbraw/zinc/21/37/27/442213727.db2.gz OBPJGLVXINSSIR-CQSZACIVSA-N 0 0 337.387 1.411 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C ZINC000128003626 442239332 /nfs/dbraw/zinc/23/93/32/442239332.db2.gz MKPNLHZAIOGIDS-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN CC[C@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)[C@H]1CCCO1 ZINC000128448855 442266926 /nfs/dbraw/zinc/26/69/26/442266926.db2.gz XXNMOKYDAWVQBL-DLBZAZTESA-N 0 0 349.479 1.595 10 0 EDAERN O=C(NCCCn1cccn1)N1CCC(Nc2cccnn2)CC1 ZINC000153310779 442274198 /nfs/dbraw/zinc/27/41/98/442274198.db2.gz CDSNSHRDNBCSTI-UHFFFAOYSA-N 0 0 329.408 1.349 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)NCCS(C)(=O)=O)no1 ZINC000176965032 442278650 /nfs/dbraw/zinc/27/86/50/442278650.db2.gz ZAXDNCDXJSXQRO-SNVBAGLBSA-N 0 0 330.410 1.084 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCC(=O)NC(C)C)C2)no1 ZINC000170889233 442283886 /nfs/dbraw/zinc/28/38/86/442283886.db2.gz VUCLNJFKSKYQSK-CYBMUJFWSA-N 0 0 337.424 1.257 10 0 EDAERN CC[C@H](O)CN(Cc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000128836549 442291157 /nfs/dbraw/zinc/29/11/57/442291157.db2.gz YBPDVTPDQJWSBD-HOTGVXAUSA-N 0 0 343.431 1.576 10 0 EDAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000177074636 442293855 /nfs/dbraw/zinc/29/38/55/442293855.db2.gz IWGQDHTZYUFLOT-LBPRGKRZSA-N 0 0 340.387 1.747 10 0 EDAERN O=C(CCSc1ccccc1F)NC[C@H](O)CN1CCOCC1 ZINC000129044652 442299307 /nfs/dbraw/zinc/29/93/07/442299307.db2.gz GEXOECVEWRVYQT-ZDUSSCGKSA-N 0 0 342.436 1.117 10 0 EDAERN CCc1noc(-c2ccc(CCNC(=O)[C@@H]3CNC(=O)C3)cc2)n1 ZINC000171022871 442300436 /nfs/dbraw/zinc/30/04/36/442300436.db2.gz DUKYCVCFTCEMEF-ZDUSSCGKSA-N 0 0 328.372 1.094 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000170762951 442259402 /nfs/dbraw/zinc/25/94/02/442259402.db2.gz CSIDETWWXLWZOB-ZIAGYGMSSA-N 0 0 332.331 1.949 10 0 EDAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCN(c2cccnn2)CC1 ZINC000171187692 442324238 /nfs/dbraw/zinc/32/42/38/442324238.db2.gz UUCGIZHLQRKCBH-OAHLLOKOSA-N 0 0 339.399 1.832 10 0 EDAERN CCOCCCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000154643206 442349567 /nfs/dbraw/zinc/34/95/67/442349567.db2.gz NNNRCVYRNQWNDD-UKRRQHHQSA-N 0 0 326.437 1.335 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000177182948 442310734 /nfs/dbraw/zinc/31/07/34/442310734.db2.gz VXRFVWQRUDYDFY-OAHLLOKOSA-N 0 0 342.399 1.830 10 0 EDAERN COc1cccc(-c2cc(C(=O)N3CCC[C@H](NC(C)=O)C3)[nH]n2)c1 ZINC000153935397 442311759 /nfs/dbraw/zinc/31/17/59/442311759.db2.gz HLCLUOUKGAKHCB-AWEZNQCLSA-N 0 0 342.399 1.826 10 0 EDAERN Cc1nc(-c2ccccc2)ncc1C(=O)NC[C@H](C)N1CCOCC1 ZINC000129400114 442314692 /nfs/dbraw/zinc/31/46/92/442314692.db2.gz XFDUGNLKVQQZHB-AWEZNQCLSA-N 0 0 340.427 1.903 10 0 EDAERN CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000177688082 442371264 /nfs/dbraw/zinc/37/12/64/442371264.db2.gz DBVWILJCHKSKGH-QWHCGFSZSA-N 0 0 337.424 1.470 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171704483 442372494 /nfs/dbraw/zinc/37/24/94/442372494.db2.gz SNHKYDXPOQSTBB-AWEZNQCLSA-N 0 0 327.388 1.756 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000177712649 442374229 /nfs/dbraw/zinc/37/42/29/442374229.db2.gz DPILUURKVDUOLV-CQSZACIVSA-N 0 0 343.387 1.106 10 0 EDAERN CCc1noc2ncc(C(=O)N[C@H]3CCCn4nc(C)nc43)cc12 ZINC000177716763 442374824 /nfs/dbraw/zinc/37/48/24/442374824.db2.gz KBHRVOXNVIETBA-ZDUSSCGKSA-N 0 0 326.360 1.950 10 0 EDAERN O=C(N[C@@H](CCCO)c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000155355398 442389953 /nfs/dbraw/zinc/38/99/53/442389953.db2.gz HSFDDZXGJDCOTK-CABCVRRESA-N 0 0 329.404 1.406 10 0 EDAERN COc1ccccc1NCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000171972371 442395046 /nfs/dbraw/zinc/39/50/46/442395046.db2.gz UQBVWPMVIXJLPB-ZDUSSCGKSA-N 0 0 343.431 1.953 10 0 EDAERN CCc1nnc(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)n1C ZINC000172011737 442398816 /nfs/dbraw/zinc/39/88/16/442398816.db2.gz VANFXVCNDWSLLV-UHFFFAOYSA-N 0 0 349.460 1.191 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C(C)=O)cs1 ZINC000155451619 442399377 /nfs/dbraw/zinc/39/93/77/442399377.db2.gz RHWLXTFCIROOGO-NSHDSACASA-N 0 0 334.401 1.954 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000178009777 442401873 /nfs/dbraw/zinc/40/18/73/442401873.db2.gz LIFAWMFHEMHSCA-LBPRGKRZSA-N 0 0 327.388 1.739 10 0 EDAERN CCc1[nH]c(C(=O)N[C@H]2CCCn3ncnc32)c(C)c1C(=O)OC ZINC000177601636 442361028 /nfs/dbraw/zinc/36/10/28/442361028.db2.gz DKLHLKHICDDRRX-NSHDSACASA-N 0 0 331.376 1.529 10 0 EDAERN CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177607141 442361513 /nfs/dbraw/zinc/36/15/13/442361513.db2.gz RTDSLFHSCOEHLP-AWEZNQCLSA-N 0 0 327.388 1.635 10 0 EDAERN O=C(NC[C@H]1CCCOC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172126132 442411526 /nfs/dbraw/zinc/41/15/26/442411526.db2.gz PWRRTSYOALVJHF-SJLPKXTDSA-N 0 0 347.459 1.474 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000172173787 442419028 /nfs/dbraw/zinc/41/90/28/442419028.db2.gz NRWUBNHLMHASIL-QDOIRAGGSA-N 0 0 328.821 1.682 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCO4)C2)cn1 ZINC000172206262 442423975 /nfs/dbraw/zinc/42/39/75/442423975.db2.gz GLRSUFQNVYGGEV-CYBMUJFWSA-N 0 0 340.383 1.310 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)NCc3cccs3)CC2)n1 ZINC000172234005 442427371 /nfs/dbraw/zinc/42/73/71/442427371.db2.gz QNBQKAFQZYSPAT-UHFFFAOYSA-N 0 0 347.444 1.969 10 0 EDAERN C[C@H]1CC[C@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccccc21 ZINC000155923029 442436743 /nfs/dbraw/zinc/43/67/43/442436743.db2.gz CRUDXVIXHYWUGN-WFASDCNBSA-N 0 0 344.415 1.866 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(Cl)nc1)CC2 ZINC000172312075 442442506 /nfs/dbraw/zinc/44/25/06/442442506.db2.gz QTKZZUXLPHKNNE-NSHDSACASA-N 0 0 334.811 1.703 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000172318838 442443601 /nfs/dbraw/zinc/44/36/01/442443601.db2.gz ZBCBDJFKGDWDSC-INIZCTEOSA-N 0 0 347.463 1.602 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000134118989 442452173 /nfs/dbraw/zinc/45/21/73/442452173.db2.gz KBLKDMQGNYMERB-LLVKDONJSA-N 0 0 328.372 1.892 10 0 EDAERN CCOCCO[C@H](C)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172388749 442453281 /nfs/dbraw/zinc/45/32/81/442453281.db2.gz JIWIFHWGQKGXBE-CQSZACIVSA-N 0 0 347.415 1.918 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc(C(=O)OC)cc3)CCO2)cn1 ZINC000191713453 442495406 /nfs/dbraw/zinc/49/54/06/442495406.db2.gz QMXYUIPCYLWMOK-MRXNPFEDSA-N 0 0 343.383 1.903 10 0 EDAERN CC(C)CC(=O)NCCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000156576850 442496684 /nfs/dbraw/zinc/49/66/84/442496684.db2.gz ACKRXEHAQZCDLN-OAHLLOKOSA-N 0 0 347.463 1.456 10 0 EDAERN CC(=O)NC1CN(C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000191731592 442500522 /nfs/dbraw/zinc/50/05/22/442500522.db2.gz MQNPQDSKHAOZFU-ZDUSSCGKSA-N 0 0 332.322 1.265 10 0 EDAERN COCCN1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1C ZINC000179509433 442469115 /nfs/dbraw/zinc/46/91/15/442469115.db2.gz VQNJTUZGKBTISK-CQSZACIVSA-N 0 0 340.493 1.132 10 0 EDAERN O=C(c1n[nH]c2c1CCCCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000191595315 442472208 /nfs/dbraw/zinc/47/22/08/442472208.db2.gz BRYCPHABQSZTID-ZDUSSCGKSA-N 0 0 329.404 1.416 10 0 EDAERN CCc1cc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)n(C)n1 ZINC000172506027 442476007 /nfs/dbraw/zinc/47/60/07/442476007.db2.gz LNTHSCFVKGVWSU-UHFFFAOYSA-N 0 0 330.432 1.862 10 0 EDAERN COc1ccc(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1OC ZINC000172755011 442534380 /nfs/dbraw/zinc/53/43/80/442534380.db2.gz XOSKJDDGPQRZNF-MRXNPFEDSA-N 0 0 348.443 1.570 10 0 EDAERN O=C(c1ccn(-c2ccc(F)cc2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172756709 442535082 /nfs/dbraw/zinc/53/50/82/442535082.db2.gz RJXDAQOYECSTNG-MRXNPFEDSA-N 0 0 344.390 1.558 10 0 EDAERN COCCOCCNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178975844 442542997 /nfs/dbraw/zinc/54/29/97/442542997.db2.gz RLZJENWMPLHAEM-IUODEOHRSA-N 0 0 344.358 1.445 10 0 EDAERN Cc1nncn1-c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000156826086 442524627 /nfs/dbraw/zinc/52/46/27/442524627.db2.gz MNDFQJYRNRCTIZ-LLVKDONJSA-N 0 0 339.355 1.926 10 0 EDAERN O=C(Cc1cnn(-c2ccccc2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172747921 442532715 /nfs/dbraw/zinc/53/27/15/442532715.db2.gz UIKMNHMHHKNIJG-SFHVURJKSA-N 0 0 340.427 1.348 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C)COCc1ccccc1 ZINC000172960124 442573857 /nfs/dbraw/zinc/57/38/57/442573857.db2.gz ZRPAYLHVPWXROS-GFCCVEGCSA-N 0 0 329.400 1.941 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000157739398 442608548 /nfs/dbraw/zinc/60/85/48/442608548.db2.gz GRMRDEJNFQNMTG-QWHCGFSZSA-N 0 0 348.472 1.676 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(C)C ZINC000179129453 442579107 /nfs/dbraw/zinc/57/91/07/442579107.db2.gz VTDCAWZQSRLLTN-CQSZACIVSA-N 0 0 333.432 1.979 10 0 EDAERN Cc1noc([C@@H](C)N2CCN([C@@H](C)c3nnnn3C3CC3)CC2)n1 ZINC000192004084 442563088 /nfs/dbraw/zinc/56/30/88/442563088.db2.gz VXMSFIMJWDUZNY-WDEREUQCSA-N 0 0 332.412 1.139 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)c2nccs2)CC1 ZINC000187029892 442647674 /nfs/dbraw/zinc/64/76/74/442647674.db2.gz YGRGFJQINHPLIQ-STQMWFEESA-N 0 0 326.466 1.345 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000187141948 442655442 /nfs/dbraw/zinc/65/54/42/442655442.db2.gz JXJCDZJURZABJY-ANQUJSFKSA-N 0 0 334.391 1.765 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCN3CCC[C@@H]3C2)c1C ZINC000179342391 442625632 /nfs/dbraw/zinc/62/56/32/442625632.db2.gz HIMKVXIFPBQWJX-CQSZACIVSA-N 0 0 336.457 1.627 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1cccc(-n2ccnc2)c1 ZINC000173242418 442631365 /nfs/dbraw/zinc/63/13/65/442631365.db2.gz RYNHCKBOMDLUAO-DZGCQCFKSA-N 0 0 341.415 1.853 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000187640345 442683856 /nfs/dbraw/zinc/68/38/56/442683856.db2.gz ZICGTKRSEGZJEW-BXUZGUMPSA-N 0 0 336.354 1.815 10 0 EDAERN O=C(NC1CN(C(=O)NCC2(c3ccc(F)cc3F)CC2)C1)C1CC1 ZINC000187725510 442688395 /nfs/dbraw/zinc/68/83/95/442688395.db2.gz IGOVHFYBQLCRIK-UHFFFAOYSA-N 0 0 349.381 1.916 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@]13CCOC3=O)CC2 ZINC000187192818 442659645 /nfs/dbraw/zinc/65/96/45/442659645.db2.gz ZEQXVKZPHPESHT-PXAZEXFGSA-N 0 0 347.419 1.207 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](C)c3cccnc3)CCO2)[nH]1 ZINC000136420601 442663118 /nfs/dbraw/zinc/66/31/18/442663118.db2.gz JQNINLMHNWIVIH-DGCLKSJQSA-N 0 0 330.392 1.606 10 0 EDAERN COc1ccccc1-n1ncc(C(=O)N2CC(NC(C)=O)C2)c1C ZINC000192615879 442668666 /nfs/dbraw/zinc/66/86/66/442668666.db2.gz HFMBOJHBYFZIAY-UHFFFAOYSA-N 0 0 328.372 1.150 10 0 EDAERN COC(=O)C[C@H](NC(=O)CC(=O)NCC(F)(F)F)c1ccccc1 ZINC000181846998 442719341 /nfs/dbraw/zinc/71/93/41/442719341.db2.gz AGQUBARBRLFSPK-NSHDSACASA-N 0 0 346.305 1.476 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000193321537 442732781 /nfs/dbraw/zinc/73/27/81/442732781.db2.gz JZJVDPGSQONDFT-UHFFFAOYSA-N 0 0 342.399 1.901 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3cccnc3OC)CC2)n1 ZINC000193337730 442734291 /nfs/dbraw/zinc/73/42/91/442734291.db2.gz IENRIHGVMAJOHJ-UHFFFAOYSA-N 0 0 343.431 1.910 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000193368287 442736390 /nfs/dbraw/zinc/73/63/90/442736390.db2.gz IALVDPWYVSQRQX-KLWIRTJPSA-N 0 0 334.391 1.717 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000193373940 442736823 /nfs/dbraw/zinc/73/68/23/442736823.db2.gz AELSGJKPHHRYBB-OAHLLOKOSA-N 0 0 340.489 1.992 10 0 EDAERN CCC(CC)(CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccccc1 ZINC000193386204 442738042 /nfs/dbraw/zinc/73/80/42/442738042.db2.gz RPWIVRYPWKGFDM-IAGOWNOFSA-N 0 0 332.444 1.842 10 0 EDAERN C[C@H]1[C@@H](NC(=O)c2ccc(=O)n(C)c2)CCCN1C(=O)OC(C)(C)C ZINC000188319944 442738454 /nfs/dbraw/zinc/73/84/54/442738454.db2.gz NGBGEIZHWDFYMJ-JSGCOSHPSA-N 0 0 349.431 1.903 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCC[C@H]3CCCCO3)CCO2)[nH]1 ZINC000182184363 442743081 /nfs/dbraw/zinc/74/30/81/442743081.db2.gz BZVNFSOPXGQMNO-CHWSQXEVSA-N 0 0 337.424 1.409 10 0 EDAERN COCC(=O)NC1CN(C(=O)NC[C@@H]2CCCc3ccccc32)C1 ZINC000188393657 442746278 /nfs/dbraw/zinc/74/62/78/442746278.db2.gz QPMANSZYKJHIMP-AWEZNQCLSA-N 0 0 331.416 1.263 10 0 EDAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000193576139 442755498 /nfs/dbraw/zinc/75/54/98/442755498.db2.gz HFQAXCVCFHPZOK-BDJLRTHQSA-N 0 0 337.807 1.827 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCc1nc(-c2cccs2)no1 ZINC000188095598 442711056 /nfs/dbraw/zinc/71/10/56/442711056.db2.gz QRNPRJYCYKIQQY-LLVKDONJSA-N 0 0 348.428 1.858 10 0 EDAERN O=C(NC1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1)C1CCC1 ZINC000188506508 442757581 /nfs/dbraw/zinc/75/75/81/442757581.db2.gz NWJZJNLZUYOTPU-UHFFFAOYSA-N 0 0 343.362 1.147 10 0 EDAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188520638 442759368 /nfs/dbraw/zinc/75/93/68/442759368.db2.gz RYUPQBQRNQDNIK-UHFFFAOYSA-N 0 0 341.415 1.395 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc3cccnc32)C1 ZINC000193666096 442765680 /nfs/dbraw/zinc/76/56/80/442765680.db2.gz QSMIRQUOMMCABJ-AWEZNQCLSA-N 0 0 340.383 1.300 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000188633856 442775973 /nfs/dbraw/zinc/77/59/73/442775973.db2.gz IXHCQRWKKYNBPP-VXGBXAGGSA-N 0 0 337.386 1.937 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)N[C@@H]2CCOC2)c2cccs2)CCO1 ZINC000246467747 442784135 /nfs/dbraw/zinc/78/41/35/442784135.db2.gz DYZSBXWCRJWMGW-MGPQQGTHSA-N 0 0 339.461 1.598 10 0 EDAERN CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000193969908 442821496 /nfs/dbraw/zinc/82/14/96/442821496.db2.gz TUHYCVDTHHSLKE-CQSZACIVSA-N 0 0 328.343 1.919 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2ncc(C)s2)C[C@@H]1C ZINC000247007395 442827730 /nfs/dbraw/zinc/82/77/30/442827730.db2.gz LHGNNDSJWDCXHQ-AAEUAGOBSA-N 0 0 326.466 1.875 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000194115169 442847336 /nfs/dbraw/zinc/84/73/36/442847336.db2.gz NNLJSGVJKVRUEJ-CYBMUJFWSA-N 0 0 345.378 1.873 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cncc(O)c1 ZINC000176538668 318441536 /nfs/dbraw/zinc/44/15/36/318441536.db2.gz LDUZCLZAMBYFAT-HNNXBMFYSA-N 0 0 347.440 1.994 10 0 EDAERN COC[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000194455317 442899383 /nfs/dbraw/zinc/89/93/83/442899383.db2.gz OSORNORYEXTMMD-ZIAGYGMSSA-N 0 0 349.822 1.933 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)o1 ZINC000183218804 442906220 /nfs/dbraw/zinc/90/62/20/442906220.db2.gz AQJKASPVDWYTEG-NSHDSACASA-N 0 0 334.376 1.375 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cncnc2OC)C1 ZINC000183224567 442907728 /nfs/dbraw/zinc/90/77/28/442907728.db2.gz OTVUQEIAFRLZPI-LLVKDONJSA-N 0 0 331.380 1.508 10 0 EDAERN Cc1ccc(NC(=O)NC(=O)CN2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000189263811 442908167 /nfs/dbraw/zinc/90/81/67/442908167.db2.gz PKOQYQAEKOTPAG-CYBMUJFWSA-N 0 0 332.404 1.162 10 0 EDAERN CCc1cc2c(CN3CCCNC(=O)[C@H]3C)cc(=O)oc2cc1O ZINC000189274434 442910622 /nfs/dbraw/zinc/91/06/22/442910622.db2.gz BCGBJJLCGAYKDJ-LLVKDONJSA-N 0 0 330.384 1.771 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000194608556 442922350 /nfs/dbraw/zinc/92/23/50/442922350.db2.gz QMEVZCSGEMLYHI-GFCCVEGCSA-N 0 0 330.787 1.695 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@H](O)COc2cccc(C)c2)C1 ZINC000189343550 442926258 /nfs/dbraw/zinc/92/62/58/442926258.db2.gz QNVUZGDUSRUPOH-BHYGNILZSA-N 0 0 347.415 1.888 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)O1 ZINC000248866925 442931343 /nfs/dbraw/zinc/93/13/43/442931343.db2.gz QEXKHDPXEJCHRO-DJIMGWMZSA-N 0 0 346.427 1.140 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc21 ZINC000194677699 442935911 /nfs/dbraw/zinc/93/59/11/442935911.db2.gz PEMFGRPDTUYLCS-HOCLYGCPSA-N 0 0 336.457 1.647 10 0 EDAERN CCOCCN1CCN([C@H]2CCc3ccccc3NC2=O)C[C@H]1C ZINC000248908899 442937490 /nfs/dbraw/zinc/93/74/90/442937490.db2.gz XMFDNSSZMSLPRJ-QAPCUYQASA-N 0 0 331.460 1.983 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)Cn2c(C)nc3ccccc32)n1 ZINC000183757982 442960660 /nfs/dbraw/zinc/96/06/60/442960660.db2.gz GAAMZFDTXQDWIN-HNNXBMFYSA-N 0 0 341.371 1.636 10 0 EDAERN C[C@H](NC(=O)NCc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000194867054 442962967 /nfs/dbraw/zinc/96/29/67/442962967.db2.gz CXNGAOAWYXWVPO-WFASDCNBSA-N 0 0 340.445 1.598 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)C1)C1CC1 ZINC000189488581 442966843 /nfs/dbraw/zinc/96/68/43/442966843.db2.gz ZLKMGVFAGPEYSL-QGZVFWFLSA-N 0 0 345.418 1.527 10 0 EDAERN Cc1ccc(Br)nc1C(=O)NC[C@H](C)N1CCOCC1 ZINC000189506760 442969787 /nfs/dbraw/zinc/96/97/87/442969787.db2.gz UQFOLPSXDINICT-NSHDSACASA-N 0 0 342.237 1.603 10 0 EDAERN O=C(Nc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1)NC1CC1 ZINC000189428640 442951006 /nfs/dbraw/zinc/95/10/06/442951006.db2.gz FEJQRAAPHUIIOY-UHFFFAOYSA-N 0 0 342.399 1.321 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)C12CCOCC2 ZINC000184494519 443029103 /nfs/dbraw/zinc/02/91/03/443029103.db2.gz NJELHSWAVWVZHJ-CVEARBPZSA-N 0 0 333.432 1.852 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCc2nncn2C2CC2)[C@@H]1c1cccs1 ZINC000195530590 443029391 /nfs/dbraw/zinc/02/93/91/443029391.db2.gz FDGYVPQWCCBICY-IAQYHMDHSA-N 0 0 345.428 1.510 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N2CCC[C@H](NC(C)=O)C2)s1 ZINC000190361494 443092525 /nfs/dbraw/zinc/09/25/25/443092525.db2.gz WINDGGPUWWKNFC-NSHDSACASA-N 0 0 338.433 1.161 10 0 EDAERN Cc1cc(CNC(=O)c2ccccc2C)nc(N2CCOCC2)n1 ZINC000224224310 443098163 /nfs/dbraw/zinc/09/81/63/443098163.db2.gz BOYKZNDVUXEBPJ-UHFFFAOYSA-N 0 0 326.400 1.860 10 0 EDAERN COc1cc(C)c(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1F ZINC000184921152 443098402 /nfs/dbraw/zinc/09/84/02/443098402.db2.gz FVEBLANEWOYCTK-CYBMUJFWSA-N 0 0 349.406 1.778 10 0 EDAERN CCc1noc(C)c1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190139802 443062679 /nfs/dbraw/zinc/06/26/79/443062679.db2.gz OVDDFIDQPFBKDS-CYBMUJFWSA-N 0 0 331.376 1.961 10 0 EDAERN CC(C)(C)n1cc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)nn1 ZINC000190555854 443135936 /nfs/dbraw/zinc/13/59/36/443135936.db2.gz WDGOPSITZCRMTM-STQMWFEESA-N 0 0 334.445 1.943 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC(=O)N(CC)C1 ZINC000190562985 443137702 /nfs/dbraw/zinc/13/77/02/443137702.db2.gz ZBZMVXAVHGSGBO-BBRMVZONSA-N 0 0 331.416 1.479 10 0 EDAERN CCOC(=O)[C@@H](NC[C@H]1CN(C)CCO1)c1cccc(Cl)c1 ZINC000190575568 443140550 /nfs/dbraw/zinc/14/05/50/443140550.db2.gz DDQSKGKZUKPLQS-GJZGRUSLSA-N 0 0 326.824 1.864 10 0 EDAERN Cc1cc(F)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000185011400 443117382 /nfs/dbraw/zinc/11/73/82/443117382.db2.gz MRIYFICEEAKJBE-LLVKDONJSA-N 0 0 342.392 1.301 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1C[C@H](O)C1(C)C)C(C)C ZINC000190485297 443117849 /nfs/dbraw/zinc/11/78/49/443117849.db2.gz NPVYDSSLVLRLNL-PMPSAXMXSA-N 0 0 348.443 1.725 10 0 EDAERN CCOC1CC(CCNC(=O)N[C@@H]2CCc3nc(CC)nn3C2)C1 ZINC000190711467 443168766 /nfs/dbraw/zinc/16/87/66/443168766.db2.gz FVFDMTISSYNGDK-ROKHWSDSSA-N 0 0 335.452 1.660 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2sccc2Br)C1 ZINC000185260635 443172064 /nfs/dbraw/zinc/17/20/64/443172064.db2.gz NNHHRMKPPNYZOW-UHFFFAOYSA-N 0 0 333.207 1.098 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000185274269 443174446 /nfs/dbraw/zinc/17/44/46/443174446.db2.gz MLHGDEWRNJOJKA-UHFFFAOYSA-N 0 0 342.399 1.076 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cnn(CC(C)C)c2C(F)F)C1 ZINC000185305777 443179341 /nfs/dbraw/zinc/17/93/41/443179341.db2.gz RPLSWTCQYJFENJ-UHFFFAOYSA-N 0 0 344.362 1.064 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000185318149 443182049 /nfs/dbraw/zinc/18/20/49/443182049.db2.gz WQEUWCVVUWVHBC-UHFFFAOYSA-N 0 0 349.406 1.404 10 0 EDAERN CCn1cc([C@H]2CN(Cc3cc(=O)n4ccccc4n3)CCO2)cn1 ZINC000190783395 443183210 /nfs/dbraw/zinc/18/32/10/443183210.db2.gz NZOPCPUVIGCTOX-MRXNPFEDSA-N 0 0 339.399 1.484 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC2(c3ccccc3C)CC2)C1 ZINC000185338393 443185449 /nfs/dbraw/zinc/18/54/49/443185449.db2.gz BYHKGZHWRZBDHU-UHFFFAOYSA-N 0 0 331.416 1.183 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)C(C)(C)c2ccccc2)C1 ZINC000185357990 443188831 /nfs/dbraw/zinc/18/88/31/443188831.db2.gz BYNWNVFJOFLKTO-CYBMUJFWSA-N 0 0 333.432 1.509 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)c1nncs1)C(C)C ZINC000185368209 443190347 /nfs/dbraw/zinc/19/03/47/443190347.db2.gz KUQHTUMXIBYKKX-CYBMUJFWSA-N 0 0 348.428 1.964 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000185212498 443162160 /nfs/dbraw/zinc/16/21/60/443162160.db2.gz JOIMOHSXNFSOCM-UHFFFAOYSA-N 0 0 348.790 1.317 10 0 EDAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCCNC(=O)[C@H]3C)cc2)co1 ZINC000190988389 443220055 /nfs/dbraw/zinc/22/00/55/443220055.db2.gz GQFAXAJEUCNGIS-LLVKDONJSA-N 0 0 349.412 1.549 10 0 EDAERN Cc1nc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)no1 ZINC000185580069 443222343 /nfs/dbraw/zinc/22/23/43/443222343.db2.gz WFLAVMTZZJCTDW-TUAOUCFPSA-N 0 0 336.392 1.753 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000185470555 443204522 /nfs/dbraw/zinc/20/45/22/443204522.db2.gz XSKUXPCFJOLPPZ-WBVHZDCISA-N 0 0 345.443 1.554 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2ccc(C)s2)C1 ZINC000185477095 443205996 /nfs/dbraw/zinc/20/59/96/443205996.db2.gz IKXPRFHGGWVBKL-SNVBAGLBSA-N 0 0 325.434 1.144 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccnc(C)n2)C12CCOCC2 ZINC000185556389 443218911 /nfs/dbraw/zinc/21/89/11/443218911.db2.gz QPRYWJLPXMGQCJ-HUUCEWRRSA-N 0 0 334.420 1.558 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3ccc(N(C)C(C)C)nc3)CCO2)[nH]1 ZINC000191425689 443292655 /nfs/dbraw/zinc/29/26/55/443292655.db2.gz NNDIWWPOEWFKJI-HNNXBMFYSA-N 0 0 330.436 1.926 10 0 EDAERN CCc1c(C(=O)N2CC(NC(C)=O)C2)cnn1-c1ccccc1OC ZINC000191478260 443300613 /nfs/dbraw/zinc/30/06/13/443300613.db2.gz QBCWRRZSHATECP-UHFFFAOYSA-N 0 0 342.399 1.404 10 0 EDAERN C[C@@H](O)c1nc2ccccc2n1Cc1nnnn1CC(F)(F)F ZINC000191450577 443295912 /nfs/dbraw/zinc/29/59/12/443295912.db2.gz BHYCPRVFKRRTBQ-MRVPVSSYSA-N 0 0 326.282 1.687 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC000191476807 443299686 /nfs/dbraw/zinc/29/96/86/443299686.db2.gz PMDZRFRZNBGTOZ-TVQRCGJNSA-N 0 0 333.363 1.381 10 0 EDAERN COc1ccc(-n2nc(C(=O)N3CC(NC(C)=O)C3)cc2C)cc1 ZINC000191475822 443300082 /nfs/dbraw/zinc/30/00/82/443300082.db2.gz CNKLYYPFNVNHIU-UHFFFAOYSA-N 0 0 328.372 1.150 10 0 EDAERN CC(C)COc1cncc(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 ZINC000299743324 444131263 /nfs/dbraw/zinc/13/12/63/444131263.db2.gz NGCZWIGPNIJHSJ-NXEZZACHSA-N 0 0 332.326 1.611 10 0 EDAERN C[NH+](C)C[C@H](O)C[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000310032083 444290807 /nfs/dbraw/zinc/29/08/07/444290807.db2.gz YCHRYRCYLJSKRD-WBMJQRKESA-N 0 0 330.425 1.401 10 0 EDAERN Cn1c2c(nc1[C@H]1CCCN1CCc1nnc(N)s1)CCCC2 ZINC000328644566 444412053 /nfs/dbraw/zinc/41/20/53/444412053.db2.gz RVTTYTXTDJLART-CYBMUJFWSA-N 0 0 332.477 2.112 10 0 EDAERN C[C@@H]1C(=O)N(C)CCN1C(=O)[C@H]1C[C@@]12CCOc1ccc(F)cc12 ZINC000328606730 444391910 /nfs/dbraw/zinc/39/19/10/444391910.db2.gz SRCLAWUEVIKHCB-YRILPIOLSA-N 0 0 332.375 1.555 10 0 EDAERN COC(=O)C[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 ZINC000152044315 533707433 /nfs/dbraw/zinc/70/74/33/533707433.db2.gz ICFPLNSHRMLUHV-ZDUSSCGKSA-N 0 0 329.356 1.158 10 0 EDAERN O=S(=O)(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ncc[n-]1 ZINC000383912884 447464820 /nfs/dbraw/zinc/46/48/20/447464820.db2.gz PNBRQYVMUVTRFO-BZUAXINKSA-N 0 0 346.456 1.599 10 0 EDAERN CCOC(=O)Cc1cc(I)cc(N)c1OC ZINC000575725046 447883647 /nfs/dbraw/zinc/88/36/47/447883647.db2.gz QGKCOORKEHKCRM-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)c1 ZINC000583616474 448443773 /nfs/dbraw/zinc/44/37/73/448443773.db2.gz ZTTXZKKQUWWPGG-ARFHVFGLSA-N 0 0 339.457 1.854 10 0 EDAERN C[C@@H](NC(=O)CN1CCO[C@H](c2nncn2C)C1)c1ccccc1 ZINC000583619701 448449684 /nfs/dbraw/zinc/44/96/84/448449684.db2.gz LJZHLNTWBYEYMG-HIFRSBDPSA-N 0 0 329.404 1.066 10 0 EDAERN CCCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1 ZINC000584596914 448582941 /nfs/dbraw/zinc/58/29/41/448582941.db2.gz PMEUHDZNXKLIAD-UHFFFAOYSA-N 0 0 344.400 1.529 10 0 EDAERN COC(OC)c1nc2c(cc1I)CCCN2 ZINC000584616077 448585086 /nfs/dbraw/zinc/58/50/86/448585086.db2.gz ZYJZGAIVYCSEJG-UHFFFAOYSA-N 0 0 334.157 1.974 10 0 EDAERN O=C(CCOc1cccc(Br)c1)N[C@@H]1CCNC1=O ZINC000616970872 449413653 /nfs/dbraw/zinc/41/36/53/449413653.db2.gz IVKZXEHCTNPZMQ-LLVKDONJSA-N 0 0 327.178 1.223 10 0 EDAERN CC(=O)Nc1cccc([C@@H]2CN(S(N)(=O)=O)c3ccccc3N2)c1 ZINC000616585147 450453921 /nfs/dbraw/zinc/45/39/21/450453921.db2.gz VUYPHHKWECDAPQ-HNNXBMFYSA-N 0 0 346.412 1.822 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1cc(N)n[nH]1 ZINC000616597439 450454546 /nfs/dbraw/zinc/45/45/46/450454546.db2.gz ICHHZVZREJEERS-LBPRGKRZSA-N 0 0 325.413 1.280 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2cccc(CCO)c2)Nc2ccccc21 ZINC000616690182 450460794 /nfs/dbraw/zinc/46/07/94/450460794.db2.gz FEHPWACKMCKDTE-OAHLLOKOSA-N 0 0 333.413 1.398 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cccnc1N1CCCCC1 ZINC000616770047 450479725 /nfs/dbraw/zinc/47/97/25/450479725.db2.gz RFDZJAKOYVQHQP-ARFHVFGLSA-N 0 0 341.415 1.373 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ncccc1Br ZINC000633919779 451095814 /nfs/dbraw/zinc/09/58/14/451095814.db2.gz HELLZBAKJXJVEY-SNVBAGLBSA-N 0 0 328.210 1.247 10 0 EDAERN Nc1nc([C@@H]2CCN(C(=O)Cc3cc(F)ccc3F)C2)cc(=O)[nH]1 ZINC000630723978 451364586 /nfs/dbraw/zinc/36/45/86/451364586.db2.gz ROCAKFQBRSVZPD-SECBINFHSA-N 0 0 334.326 1.601 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)Cn3cc4ccccc4n3)C[C@@H](C)O2)n1 ZINC000628858008 451441967 /nfs/dbraw/zinc/44/19/67/451441967.db2.gz RHKLDINYAUGYCP-IAQYHMDHSA-N 0 0 341.371 1.716 10 0 EDAERN Cc1sc(Br)cc1S(=O)(=O)NC1CC(CO)C1 ZINC000660147664 453078182 /nfs/dbraw/zinc/07/81/82/453078182.db2.gz WGJCMGQCWHRYJS-UHFFFAOYSA-N 0 0 340.264 1.868 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)NCCc1cc2ccccc2o1 ZINC000644367029 453359101 /nfs/dbraw/zinc/35/91/01/453359101.db2.gz HBZQFSJFBVRWMG-OAHLLOKOSA-N 0 0 330.384 1.465 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)cn1 ZINC000195418143 486661085 /nfs/dbraw/zinc/66/10/85/486661085.db2.gz WHYBZCFFWASCLP-JTQLQIEISA-N 0 0 337.405 1.058 10 0 EDAERN O=C(c1cccc(-c2ccoc2)c1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671500794 486629125 /nfs/dbraw/zinc/62/91/25/486629125.db2.gz VXQLRPYSXWIQGO-GOSISDBHSA-N 0 0 338.367 1.815 10 0 EDAERN CC[C@H](CC1CCCCC1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132630360 491216366 /nfs/dbraw/zinc/21/63/66/491216366.db2.gz NGCJSGLZRRZXDA-IAGOWNOFSA-N 0 0 326.481 1.792 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NC[C@H]3Cc4ccccc43)CCO2)[nH]1 ZINC000137221794 491233309 /nfs/dbraw/zinc/23/33/09/491233309.db2.gz QDAAORLLLKUULB-UKRRQHHQSA-N 0 0 341.415 1.790 10 0 EDAERN CNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(OC)cc3)n2)C1 ZINC000064928294 490996730 /nfs/dbraw/zinc/99/67/30/490996730.db2.gz OSGFDHXMVOHMEF-ZDUSSCGKSA-N 0 0 342.399 1.204 10 0 EDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)CC[C@@H]3CCCO3)C2)c1 ZINC000120329161 490997476 /nfs/dbraw/zinc/99/74/76/490997476.db2.gz HMNONMDURRXHFP-GJZGRUSLSA-N 0 0 327.450 1.727 10 0 EDAERN C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)c1nnc2n1CCCC2 ZINC000121776544 490999678 /nfs/dbraw/zinc/99/96/78/490999678.db2.gz ZGEBARMUTICCIO-NWDGAFQWSA-N 0 0 328.438 1.164 10 0 EDAERN COC1(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CCOCC1 ZINC000126066225 491013697 /nfs/dbraw/zinc/01/36/97/491013697.db2.gz MBQQJLPKXYTSTD-RHSMWYFYSA-N 0 0 326.437 1.519 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn(-c2ccccn2)c1C ZINC000081579137 491179409 /nfs/dbraw/zinc/17/94/09/491179409.db2.gz SKNRBCQPZOCJNU-AWEZNQCLSA-N 0 0 337.387 1.741 10 0 EDAERN O=C(Nc1cnn(Cc2ccccn2)c1)N[C@@H]1CCCC[C@H]1CO ZINC000081634994 491180144 /nfs/dbraw/zinc/18/01/44/491180144.db2.gz FFANASWUGSFJBQ-XJKSGUPXSA-N 0 0 329.404 1.999 10 0 EDAERN O=C1N[C@@H](c2ccc(Cl)cc2Br)N2CCOC[C@H]12 ZINC000093884938 501079682 /nfs/dbraw/zinc/07/96/82/501079682.db2.gz PBRGEUNMNXFNBL-GHMZBOCLSA-N 0 0 331.597 1.932 10 0 EDAERN COC(=O)Cc1c(C(=O)OC)nnn1CCSC(F)(F)F ZINC000159219132 533751292 /nfs/dbraw/zinc/75/12/92/533751292.db2.gz LEJYSNJWCDJLIA-UHFFFAOYSA-N 0 0 327.284 1.033 10 0 EDAERN C[C@@H](CN1CCCC1=O)NC(=O)c1cc(N)cc(Br)c1 ZINC000165377464 533814723 /nfs/dbraw/zinc/81/47/23/533814723.db2.gz ZMVFZBPZHWTCJQ-VIFPVBQESA-N 0 0 340.221 1.772 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(F)cc3)C2=O)n(C)n1 ZINC000175000992 533896153 /nfs/dbraw/zinc/89/61/53/533896153.db2.gz IARSXOZKNPMWOL-HNNXBMFYSA-N 0 0 344.390 1.722 10 0 EDAERN COC(=O)N1CC(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000178710383 533917879 /nfs/dbraw/zinc/91/78/79/533917879.db2.gz FPLJIVKBSWPLPO-LBPRGKRZSA-N 0 0 345.321 1.910 10 0 EDAERN C[C@H](CCNC(=O)c1sc(NC(C)(C)C)nc1N)[S@](C)=O ZINC000163491816 533941322 /nfs/dbraw/zinc/94/13/22/533941322.db2.gz FLPDNLBWMBYIFG-IJSAXESFSA-N 0 0 332.495 1.823 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(F)c(Cl)c(CO)c1)[C@@H]1CCOC1 ZINC000167039554 533964241 /nfs/dbraw/zinc/96/42/41/533964241.db2.gz JWLQPXKLUJAVBZ-DTWKUNHWSA-N 0 0 337.800 1.675 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccc2c(c1)N(C)CCO2)N1CCOCC1 ZINC000175107407 533997697 /nfs/dbraw/zinc/99/76/97/533997697.db2.gz AMEHXMBWIWZICI-ZDUSSCGKSA-N 0 0 334.420 1.357 10 0 EDAERN Cc1cc([C@@](C)(O)CNC(=O)NC[C@@H](C)N2CCOCC2)c(C)o1 ZINC000175002996 534049509 /nfs/dbraw/zinc/04/95/09/534049509.db2.gz YURNLSLRHZZDDO-PXAZEXFGSA-N 0 0 339.436 1.124 10 0 EDAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1ccccc1F ZINC000187327746 534087967 /nfs/dbraw/zinc/08/79/67/534087967.db2.gz QNSBCDAEMDNWLW-LLVKDONJSA-N 0 0 335.379 1.513 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(C(C)C)n(C)n3)CCO2)n1 ZINC000174217813 534114144 /nfs/dbraw/zinc/11/41/44/534114144.db2.gz CCKIFECSEICDAS-HNNXBMFYSA-N 0 0 345.447 1.898 10 0 EDAERN Cc1cc(C)nc(-n2nccc2NC(=O)NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000190334906 534132378 /nfs/dbraw/zinc/13/23/78/534132378.db2.gz MVONOJZLTAMJBQ-KBPBESRZSA-N 0 0 344.419 1.952 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187337879 534156549 /nfs/dbraw/zinc/15/65/49/534156549.db2.gz HDPCMLJJERFXEV-ZDUSSCGKSA-N 0 0 331.416 1.512 10 0 EDAERN Cc1ccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1C(N)=O ZINC000177827422 534182868 /nfs/dbraw/zinc/18/28/68/534182868.db2.gz XATBFCLILZEXOQ-CZUORRHYSA-N 0 0 346.431 1.278 10 0 EDAERN Cc1ccc(-c2noc([C@@H](C)S(=O)(=O)C[C@@H](O)CO)n2)cc1F ZINC000177673866 534234212 /nfs/dbraw/zinc/23/42/12/534234212.db2.gz SUXZTVDMFXMWQP-KOLCDFICSA-N 0 0 344.364 1.013 10 0 EDAERN C[C@@H](Cn1nnnc1-c1cccc(N)c1Br)[S@](C)=O ZINC000166186718 534275414 /nfs/dbraw/zinc/27/54/14/534275414.db2.gz ZIBZFXMAJCLELG-ZDVLTJLQSA-N 0 0 344.238 1.452 10 0 EDAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@H](n2cncn2)C1 ZINC000171702166 534298501 /nfs/dbraw/zinc/29/85/01/534298501.db2.gz PFGMSLLEMLCTNG-NEPJUHHUSA-N 0 0 334.811 1.991 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ncn3nccc3c1=O)[C@@H](C)C2 ZINC000181258047 534434007 /nfs/dbraw/zinc/43/40/07/534434007.db2.gz QNROHWHIFHKNNX-SJCJKPOMSA-N 0 0 337.383 1.249 10 0 EDAERN Cc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173693573 534674872 /nfs/dbraw/zinc/67/48/72/534674872.db2.gz MZGIDXWTLKZPDA-CQSZACIVSA-N 0 0 327.388 1.697 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(C(C)C)n(C)n3)CCO2)c1 ZINC000174223480 534747361 /nfs/dbraw/zinc/74/73/61/534747361.db2.gz GTKROTOXCSXWGS-AWEZNQCLSA-N 0 0 331.420 1.590 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000155132371 534778586 /nfs/dbraw/zinc/77/85/86/534778586.db2.gz DNHDHNDZQSDUQD-AWEZNQCLSA-N 0 0 329.408 1.744 10 0 EDAERN C[C@@H](NS(=O)(=O)Cc1cccc(C(N)=S)c1)[C@@H]1CCCO1 ZINC000038005304 525571118 /nfs/dbraw/zinc/57/11/18/525571118.db2.gz XYOBBRVYPVLHBK-MFKMUULPSA-N 0 0 328.459 1.308 10 0 EDAERN CC(=O)N1CCCN(c2ncc(N)c(C)c2Br)CC1 ZINC000165513091 526561138 /nfs/dbraw/zinc/56/11/38/526561138.db2.gz FOLFBLNJEKFXLN-UHFFFAOYSA-N 0 0 327.226 1.793 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC000190120501 526708206 /nfs/dbraw/zinc/70/82/06/526708206.db2.gz QXKKUUDSHQAJDT-AWEZNQCLSA-N 0 0 340.374 1.097 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2c(C)onc2-c2ccccn2)C1 ZINC000153923609 526853386 /nfs/dbraw/zinc/85/33/86/526853386.db2.gz KEHCCDMFGFTMIQ-CYBMUJFWSA-N 0 0 328.372 1.786 10 0 EDAERN CC(=O)Nc1ccc(C)c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000187598444 526951609 /nfs/dbraw/zinc/95/16/09/526951609.db2.gz CVVBANXLYCBTJT-KSSFIOAISA-N 0 0 345.443 1.746 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000176745281 527025091 /nfs/dbraw/zinc/02/50/91/527025091.db2.gz FTEBMAXVNCEUMB-CYBMUJFWSA-N 0 0 335.389 1.050 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2ccc(Br)c(N)c2)C1 ZINC000165744568 527739260 /nfs/dbraw/zinc/73/92/60/527739260.db2.gz LMLAUKXFZRICCK-LLVKDONJSA-N 0 0 342.237 1.482 10 0 EDAERN CC(C)[C@](C)(O)CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000171926709 527960711 /nfs/dbraw/zinc/96/07/11/527960711.db2.gz ZZLLLBRDEDBXHO-CZUORRHYSA-N 0 0 340.445 1.611 10 0 EDAERN CC(C)CNc1nc(N)c(C(=O)N[C@@H](C)CC[S@](C)=O)s1 ZINC000163721918 528068940 /nfs/dbraw/zinc/06/89/40/528068940.db2.gz GQNMHIRJORZTIT-JLTPVHFHSA-N 0 0 332.495 1.680 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccsc2)C12CCOCC2 ZINC000187290639 528077834 /nfs/dbraw/zinc/07/78/34/528077834.db2.gz GHTXVAOENKJLQV-OLZOCXBDSA-N 0 0 338.429 1.777 10 0 EDAERN CCNC(=O)[C@H]1COCCN1c1cc(C)c(Br)cn1 ZINC000166327900 528223560 /nfs/dbraw/zinc/22/35/60/528223560.db2.gz MXDFMNMMAMMTRO-LLVKDONJSA-N 0 0 328.210 1.494 10 0 EDAERN CCNc1nc(C)nc(N2CCSC[C@H]2S(C)(=O)=O)c1C ZINC000157028785 528441051 /nfs/dbraw/zinc/44/10/51/528441051.db2.gz GSGOOWQBIIHYBI-LLVKDONJSA-N 0 0 330.479 1.449 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000184180454 528482823 /nfs/dbraw/zinc/48/28/23/528482823.db2.gz NJPUMVALURACJL-INIZCTEOSA-N 0 0 334.416 1.347 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)NCC1CCCCC1 ZINC000176567737 528703427 /nfs/dbraw/zinc/70/34/27/528703427.db2.gz UWTMTIBYPAWVQI-JOCHJYFZSA-N 0 0 327.454 1.199 10 0 EDAERN CCCn1c([C@H]2CCCc3sccc32)nnc1S(N)(=O)=O ZINC000158413766 528823824 /nfs/dbraw/zinc/82/38/24/528823824.db2.gz CLRBUIMFZRKNNN-JTQLQIEISA-N 0 0 326.447 1.865 10 0 EDAERN CCCn1ncc(N[C@H](C)C[S@](C)=O)c(Br)c1=O ZINC000158724631 528885026 /nfs/dbraw/zinc/88/50/26/528885026.db2.gz RFZISFRMELKFML-NTCNTBNZSA-N 0 0 336.255 1.595 10 0 EDAERN CC(C)[C@H](C)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000153512497 528963897 /nfs/dbraw/zinc/96/38/97/528963897.db2.gz SYZDERXUEWLLMU-NSHDSACASA-N 0 0 347.419 1.151 10 0 EDAERN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177574584 529116232 /nfs/dbraw/zinc/11/62/32/529116232.db2.gz DWNXNQWAXMLTSV-AAEUAGOBSA-N 0 0 347.444 1.745 10 0 EDAERN CC(C)NC(=O)[C@@H]1COCCN1c1ccc(N)cc1Br ZINC000159292411 529146846 /nfs/dbraw/zinc/14/68/46/529146846.db2.gz MIQCMXIJTJLFBU-ZDUSSCGKSA-N 0 0 342.237 1.761 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000181853439 529226992 /nfs/dbraw/zinc/22/69/92/529226992.db2.gz OCYWZQHREULDIV-DLBZAZTESA-N 0 0 349.475 1.860 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](O)c1ccsc1)CC2 ZINC000181710926 535024364 /nfs/dbraw/zinc/02/43/64/535024364.db2.gz SERIEALRGVNXBX-STQMWFEESA-N 0 0 349.460 1.811 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](Nc1nc3c(cnn3C)c(N)n1)CC2 ZINC000195236777 535025153 /nfs/dbraw/zinc/02/51/53/535025153.db2.gz XOZFAIQXORTRRO-VIFPVBQESA-N 0 0 327.396 1.087 10 0 EDAERN CCC(CC)N1C[C@@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)CC1=O ZINC000172397757 535052374 /nfs/dbraw/zinc/05/23/74/535052374.db2.gz FGYXSLPVFNPWRU-CABCVRRESA-N 0 0 347.463 1.554 10 0 EDAERN CCCNS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000062366112 535179004 /nfs/dbraw/zinc/17/90/04/535179004.db2.gz SHLUNCHPGRPMEJ-UHFFFAOYSA-N 0 0 347.462 1.055 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cn(CCOC)c2ccccc12)C(C)C ZINC000178712798 536381979 /nfs/dbraw/zinc/38/19/79/536381979.db2.gz OLQRCOCLHCDKGM-MRXNPFEDSA-N 0 0 331.416 1.788 10 0 EDAERN CCn1nc(C)c(CN[C@H]2CCO[C@@H]2c2cnn(CCOC)c2)n1 ZINC000888076017 590929949 /nfs/dbraw/zinc/92/99/49/590929949.db2.gz NVNUILNHEMRTJS-GOEBONIOSA-N 0 0 334.424 1.069 10 0 EDAERN c1cc([C@H]2OCC[C@@H]2NCc2nnnn2C2CC2)n(CC2CC2)n1 ZINC000888078414 590935670 /nfs/dbraw/zinc/93/56/70/590935670.db2.gz PNNHXBOCYFZENJ-BBRMVZONSA-N 0 0 329.408 1.234 10 0 EDAERN C[C@@H]1CN(C)C[C@H](c2nnc(CCn3c4ccccc4oc3=O)o2)O1 ZINC000888078868 590935673 /nfs/dbraw/zinc/93/56/73/590935673.db2.gz DJZYLFQDYZWNBQ-BXUZGUMPSA-N 0 0 344.371 1.612 10 0 EDAERN c1nc(CN[C@H]2COC[C@H]2Oc2cnn(-c3ccccc3)c2)co1 ZINC000888098728 591029242 /nfs/dbraw/zinc/02/92/42/591029242.db2.gz LGUTYVHCPQGIHK-DLBZAZTESA-N 0 0 326.356 1.796 10 0 EDAERN CNc1nc(C)cc(C(=O)N2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)n1 ZINC000888103044 591031100 /nfs/dbraw/zinc/03/11/00/591031100.db2.gz BMHMLSCSGWQYIO-OCCSQVGLSA-N 0 0 344.419 1.769 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000896882526 591646541 /nfs/dbraw/zinc/64/65/41/591646541.db2.gz UPTJZTWCRHKGFF-ZIAGYGMSSA-N 0 0 325.372 1.412 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCCCNC(C)=O ZINC000103702070 593124866 /nfs/dbraw/zinc/12/48/66/593124866.db2.gz XCJCSZQPJVTCPT-BBRMVZONSA-N 0 0 334.416 1.901 10 0 EDAERN CNC(=O)c1nc(C2CCN(C(=O)C[C@@H]3CCC[C@H]3C)CC2)n[nH]1 ZINC000818480480 593699770 /nfs/dbraw/zinc/69/97/70/593699770.db2.gz NBJCOMYJLRCPSE-YPMHNXCESA-N 0 0 333.436 1.697 10 0 EDAERN COCCN1CCN(CC(=O)Nc2cccnc2Cl)C[C@@H]1C ZINC000105832426 595468668 /nfs/dbraw/zinc/46/86/68/595468668.db2.gz KGYDQNDMMIYYAF-LBPRGKRZSA-N 0 0 326.828 1.326 10 0 EDAERN CCOc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)on1 ZINC000858008719 595684661 /nfs/dbraw/zinc/68/46/61/595684661.db2.gz VZMDIQDCTXVNFU-SMDDNHRTSA-N 0 0 334.376 1.705 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(CN3CCOC3=S)CC2)cn1 ZINC000113924829 595906663 /nfs/dbraw/zinc/90/66/63/595906663.db2.gz SIMQEPFRZSCUJT-UHFFFAOYSA-N 0 0 337.493 1.330 10 0 EDAERN O=C(OCCOc1cccc(Br)c1)[C@H]1CNC(=O)C1 ZINC000118601512 596137213 /nfs/dbraw/zinc/13/72/13/596137213.db2.gz KLCHPAAIBLGTSP-SECBINFHSA-N 0 0 328.162 1.507 10 0 EDAERN COC(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)s1 ZINC000888900108 597775172 /nfs/dbraw/zinc/77/51/72/597775172.db2.gz MOIXEYFRJRFAIY-SNVBAGLBSA-N 0 0 335.389 1.995 10 0 EDAERN CS(=O)(=O)CC1(CNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000175320420 697726872 /nfs/dbraw/zinc/72/68/72/697726872.db2.gz FVGOOYFXHVHIIG-JXMROGBWSA-N 0 0 329.443 1.402 10 0 EDAERN C[C@H]1C[C@H](C(=O)OCCN(C)S(=O)(=O)N(C)C)CC(C)(C)C1 ZINC000183226751 701552031 /nfs/dbraw/zinc/55/20/31/701552031.db2.gz ZOTCWHQYWDSNJH-STQMWFEESA-N 0 0 334.482 1.730 10 0 EDAERN C[C@H](CNS(=O)(=O)/C=C/c1cccc(Cl)c1)N1CCOCC1 ZINC000184040420 702997675 /nfs/dbraw/zinc/99/76/75/702997675.db2.gz ISLACRMXCJZYMB-ZQNFCJTASA-N 0 0 344.864 1.951 10 0 EDAERN C[C@@H](CNS(=O)(=O)/C=C/c1cccc(Cl)c1)N1CCOCC1 ZINC000184040401 702997736 /nfs/dbraw/zinc/99/77/36/702997736.db2.gz ISLACRMXCJZYMB-KADSFNECSA-N 0 0 344.864 1.951 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC)CC1 ZINC000050123148 214046354 /nfs/dbraw/zinc/04/63/54/214046354.db2.gz HSDMSPZHHCVZRF-WBVHZDCISA-N 0 0 331.460 1.995 10 0 EDAERN CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1N ZINC000050368360 214054898 /nfs/dbraw/zinc/05/48/98/214054898.db2.gz NAPPYFRECYBTOG-GHMZBOCLSA-N 0 0 349.250 1.877 10 0 EDAERN CS(=O)(=O)c1ccc(N)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000050638846 214063249 /nfs/dbraw/zinc/06/32/49/214063249.db2.gz PUPJGVDHJAJUHF-UHFFFAOYSA-N 0 0 332.447 1.237 10 0 EDAERN CCOCCNS(=O)(=O)c1cc(Br)cnc1NC ZINC000050631423 214062153 /nfs/dbraw/zinc/06/21/53/214062153.db2.gz HHMNYPLWMAPVRG-UHFFFAOYSA-N 0 0 338.227 1.201 10 0 EDAERN O=C1NCCN[C@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000051925015 214107666 /nfs/dbraw/zinc/10/76/66/214107666.db2.gz CJKXENKTIYQHBA-NSHDSACASA-N 0 0 327.178 1.371 10 0 EDAERN Cn1c2cc(Br)c([C@H]([NH3+])CCC(=O)[O-])cc2n(C)c1=O ZINC000051952054 214110464 /nfs/dbraw/zinc/11/04/64/214110464.db2.gz LACSXLDJOHSHGB-SECBINFHSA-N 0 0 342.193 1.504 10 0 EDAERN C[C@@H](O)c1cc(Br)ccc1O[C@@H](C)C(=O)NC(N)=O ZINC000052068401 214115080 /nfs/dbraw/zinc/11/50/80/214115080.db2.gz VXHHHTYRSFVEST-RQJHMYQMSA-N 0 0 331.166 1.465 10 0 EDAERN CCNc1ncc(Br)cc1S(=O)(=O)N[C@H]1C[C@H]1C ZINC000052302615 214125278 /nfs/dbraw/zinc/12/52/78/214125278.db2.gz SXBFGIFRGGVBFC-APPZFPTMSA-N 0 0 334.239 1.963 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1cc(C(N)=O)cs1)c1ccccc1 ZINC000053152811 214165756 /nfs/dbraw/zinc/16/57/56/214165756.db2.gz ZPLRRJSPZPIVJA-GFCCVEGCSA-N 0 0 332.381 1.881 10 0 EDAERN CN(CCNc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000053385964 214179600 /nfs/dbraw/zinc/17/96/00/214179600.db2.gz GHZWHCIMVQHIAZ-ZDUSSCGKSA-N 0 0 347.278 1.980 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCO1 ZINC000179438628 529377271 /nfs/dbraw/zinc/37/72/71/529377271.db2.gz QXOVFSBSKAHBRC-HLLBOEOZSA-N 0 0 334.391 1.983 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)CCN1C[C@@H](C)O ZINC000174609653 529379573 /nfs/dbraw/zinc/37/95/73/529379573.db2.gz SGANNYSMJKGXNA-TZMCWYRMSA-N 0 0 338.473 1.738 10 0 EDAERN CCOc1ccc(C(=O)CN2CCC(C(N)=O)CC2)cc1OCC ZINC000055271751 214299104 /nfs/dbraw/zinc/29/91/04/214299104.db2.gz ASJHTCNFTVZJDF-UHFFFAOYSA-N 0 0 334.416 1.864 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3cc(C)ccc3C)CCO2)[nH]1 ZINC000173677377 231002924 /nfs/dbraw/zinc/00/29/24/231002924.db2.gz OAIDNPZWKCZAPW-HNNXBMFYSA-N 0 0 329.404 1.742 10 0 EDAERN O=S(=O)(c1cccc2c1OCCO2)N1CCC[C@@H]1Cn1ccnc1 ZINC000173733376 231018071 /nfs/dbraw/zinc/01/80/71/231018071.db2.gz MPAMXQCPDAVUEC-CYBMUJFWSA-N 0 0 349.412 1.508 10 0 EDAERN Cc1cnn(CCNC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000173810277 231040039 /nfs/dbraw/zinc/04/00/39/231040039.db2.gz PKVAYEAKWNZNMZ-UHFFFAOYSA-N 0 0 325.166 1.072 10 0 EDAERN Cc1noc2nc(C)cc(C(=O)N3C[C@H](N4CCOCC4)[C@@H](C)C3)c12 ZINC000173881038 231059208 /nfs/dbraw/zinc/05/92/08/231059208.db2.gz BEIPXTJKEJTWTH-NHYWBVRUSA-N 0 0 344.415 1.632 10 0 EDAERN O=C(Nc1ccc2oc(=O)ccc2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173894740 231064129 /nfs/dbraw/zinc/06/41/29/231064129.db2.gz JPODJBAJXSTZDT-OAHLLOKOSA-N 0 0 343.383 1.731 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1cc(F)ccc1F ZINC000173939629 231076460 /nfs/dbraw/zinc/07/64/60/231076460.db2.gz OWIARJIRTPWUAU-ZDUSSCGKSA-N 0 0 325.359 1.310 10 0 EDAERN O=S(=O)(c1cccc2ncccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173996981 231094491 /nfs/dbraw/zinc/09/44/91/231094491.db2.gz NZLYOLYXUOWCIN-AWEZNQCLSA-N 0 0 347.440 1.330 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H](O)c3ccccc3)C2)n1 ZINC000174921434 231344442 /nfs/dbraw/zinc/34/44/42/231344442.db2.gz USCCYUXGYATSDA-WBVHZDCISA-N 0 0 328.416 1.867 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccccc3F)C2=O)n(C)n1 ZINC000174987538 231360687 /nfs/dbraw/zinc/36/06/87/231360687.db2.gz YVJZOPOLQQWLGS-AWEZNQCLSA-N 0 0 330.363 1.793 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173696197 529588719 /nfs/dbraw/zinc/58/87/19/529588719.db2.gz RZNQBISDJJUFGK-AWEZNQCLSA-N 0 0 327.388 1.643 10 0 EDAERN Cc1ccccc1S(=O)(=O)NC[C@@H]1Oc2ccccc2NC1=O ZINC000049739252 214029995 /nfs/dbraw/zinc/02/99/95/214029995.db2.gz KKUQPHFNJXORSJ-AWEZNQCLSA-N 0 0 332.381 1.673 10 0 EDAERN O=C(NCc1nn2cnnc2s1)c1cccc(Br)c1 ZINC000049722390 214028759 /nfs/dbraw/zinc/02/87/59/214028759.db2.gz QUEKEWVYPXRDEB-UHFFFAOYSA-N 0 0 338.190 1.878 10 0 EDAERN COCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000059241716 214614369 /nfs/dbraw/zinc/61/43/69/214614369.db2.gz WXQRFOPUNUOCOH-UHFFFAOYSA-N 0 0 326.418 1.883 10 0 EDAERN COc1ccc(Cn2cnc(C(N)=S)n2)cc1Br ZINC000061843523 214679952 /nfs/dbraw/zinc/67/99/52/214679952.db2.gz RRZZJIPHANLGCG-UHFFFAOYSA-N 0 0 327.207 1.732 10 0 EDAERN CCc1nc(C2(NC(=O)Nc3ccc(=O)n(C)c3)CCCC2)no1 ZINC000178359994 529730992 /nfs/dbraw/zinc/73/09/92/529730992.db2.gz CYLWZTKRGPOHPX-UHFFFAOYSA-N 0 0 331.376 1.922 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CCO)c1ccco1 ZINC000187357404 529749920 /nfs/dbraw/zinc/74/99/20/529749920.db2.gz YICXDJFMMFKJEL-RYUDHWBXSA-N 0 0 333.392 1.691 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000130275758 529789738 /nfs/dbraw/zinc/78/97/38/529789738.db2.gz PLPWFJIYTPUUFX-CYBMUJFWSA-N 0 0 334.807 1.791 10 0 EDAERN NC(=O)CNC(=O)Cc1csc(Nc2ccc(Cl)cn2)n1 ZINC000049460491 214009135 /nfs/dbraw/zinc/00/91/35/214009135.db2.gz LJRWLZCBRYXWOU-UHFFFAOYSA-N 0 0 325.781 1.079 10 0 EDAERN COc1ccc(N2CCN(CC(=O)N[C@@H]3CCSC3=O)C2=O)cc1 ZINC000049384511 214003776 /nfs/dbraw/zinc/00/37/76/214003776.db2.gz DERRUKIWSKELPC-CYBMUJFWSA-N 0 0 349.412 1.086 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000166715907 529901604 /nfs/dbraw/zinc/90/16/04/529901604.db2.gz JKCSJUWERXSSRB-NSHDSACASA-N 0 0 327.743 1.155 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(N)cc(Br)c1 ZINC000165683907 529903680 /nfs/dbraw/zinc/90/36/80/529903680.db2.gz DNVYGIUZYWPCMU-NSHDSACASA-N 0 0 326.194 1.382 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000166772549 529923049 /nfs/dbraw/zinc/92/30/49/529923049.db2.gz BBLFQBYVHVWPNT-LLVKDONJSA-N 0 0 327.743 1.155 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000166768597 529923133 /nfs/dbraw/zinc/92/31/33/529923133.db2.gz UAWTYCWCVMCDNS-LLVKDONJSA-N 0 0 344.198 1.669 10 0 EDAERN CCOC(=O)CNC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315135 210167032 /nfs/dbraw/zinc/16/70/32/210167032.db2.gz IRLKSDAWUZYSNU-UHFFFAOYSA-N 0 0 344.415 1.422 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1 ZINC000101528346 219132423 /nfs/dbraw/zinc/13/24/23/219132423.db2.gz AIZLDZHZVUMBGW-AWEZNQCLSA-N 0 0 332.404 1.698 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)cn1 ZINC000177608223 231938641 /nfs/dbraw/zinc/93/86/41/231938641.db2.gz PGBSVVPKZZZAJV-OAHLLOKOSA-N 0 0 345.447 1.555 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC2(O)CCOCC2)[C@H]1c1ccccc1 ZINC000174816435 530041818 /nfs/dbraw/zinc/04/18/18/530041818.db2.gz RRFMKWIGMGFOOJ-DOTOQJQBSA-N 0 0 346.427 1.254 10 0 EDAERN CN1C(=O)C[C@@H](Nc2cccc(Br)c2C(N)=S)C1=O ZINC000168764305 530044917 /nfs/dbraw/zinc/04/49/17/530044917.db2.gz JSTGYOVBYLIKJV-MRVPVSSYSA-N 0 0 342.218 1.253 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000101794893 219165209 /nfs/dbraw/zinc/16/52/09/219165209.db2.gz YIOSEZSYPCBQPN-HNNXBMFYSA-N 0 0 349.479 1.670 10 0 EDAERN COc1ccc(OC)c(NCC(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000066211790 215023192 /nfs/dbraw/zinc/02/31/92/215023192.db2.gz DGMAIUXQEIYZPU-UHFFFAOYSA-N 0 0 329.356 1.853 10 0 EDAERN Cc1nc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cs1 ZINC000066308182 215032528 /nfs/dbraw/zinc/03/25/28/215032528.db2.gz UDUWMOWNYUPZJN-UHFFFAOYSA-N 0 0 325.415 1.968 10 0 EDAERN COC(=O)[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1 ZINC000066644950 215063438 /nfs/dbraw/zinc/06/34/38/215063438.db2.gz RCLOGFGTTGEXFK-INIZCTEOSA-N 0 0 336.351 1.911 10 0 EDAERN O=C(CCn1cncn1)Nc1ccccc1I ZINC000042228886 213486741 /nfs/dbraw/zinc/48/67/41/213486741.db2.gz HKSDTPGRVRDWHC-UHFFFAOYSA-N 0 0 342.140 1.912 10 0 EDAERN C[C@H](O)CCNC(=O)c1cc(CN2CCc3ccccc3C2)on1 ZINC000067879478 215239543 /nfs/dbraw/zinc/23/95/43/215239543.db2.gz WLDNNJRHBGUQDV-ZDUSSCGKSA-N 0 0 329.400 1.734 10 0 EDAERN O=C(CCc1nc(-c2ncccn2)no1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000067985241 215268507 /nfs/dbraw/zinc/26/85/07/215268507.db2.gz FYZXDTBJBJGHBD-QWHCGFSZSA-N 0 0 343.387 1.629 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(C)(C)C)N1CCOCC1 ZINC000041600991 213455925 /nfs/dbraw/zinc/45/59/25/213455925.db2.gz ICLKERRTAVYOHQ-AWEZNQCLSA-N 0 0 347.459 1.760 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc(Nc2nc[nH]c(=O)c2N)cc1 ZINC000040759515 213383421 /nfs/dbraw/zinc/38/34/21/213383421.db2.gz RQXPOQYINCYTBQ-UHFFFAOYSA-N 0 0 337.405 1.126 10 0 EDAERN CN(c1ccccc1)S(=O)(=O)CCNS(=O)(=O)C1CCCC1 ZINC000040663803 213367043 /nfs/dbraw/zinc/36/70/43/213367043.db2.gz WAKHUPOVVCEQOM-UHFFFAOYSA-N 0 0 346.474 1.315 10 0 EDAERN C[C@H]1CN(C(=O)CCS(=O)(=O)c2ccccc2)C(C)(C)CO1 ZINC000040656313 213365352 /nfs/dbraw/zinc/36/53/52/213365352.db2.gz JDEVZIGPVCFRPP-ZDUSSCGKSA-N 0 0 325.430 1.876 10 0 EDAERN C[C@@H](CNC(=O)N(C)Cc1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000180323162 233831758 /nfs/dbraw/zinc/83/17/58/233831758.db2.gz GPNREHFBUZWIFK-NSHDSACASA-N 0 0 345.365 1.966 10 0 EDAERN CC(C)[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Nc1ccccc1 ZINC000104797444 219418095 /nfs/dbraw/zinc/41/80/95/219418095.db2.gz DAYYCYHKHSLLIM-IAGOWNOFSA-N 0 0 334.464 1.753 10 0 EDAERN CC[C@H](CCO)NC(=O)C1CCC(C(=O)N[C@@H](CC)CCO)CC1 ZINC000159014188 540002494 /nfs/dbraw/zinc/00/24/94/540002494.db2.gz ROBBMIIJWKEQAG-STONLHKKSA-N 0 0 342.480 1.347 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@H](C)C[S@](C)=O)CC2)cn1 ZINC000182568632 234673290 /nfs/dbraw/zinc/67/32/90/234673290.db2.gz BRHOCTNCLDLKRB-IPQOISQHSA-N 0 0 326.466 1.559 10 0 EDAERN Cc1cc(NC(=O)c2cnccn2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 ZINC000038740583 213223486 /nfs/dbraw/zinc/22/34/86/213223486.db2.gz WKUYQRJZLSEVJC-UHFFFAOYSA-N 0 0 325.332 1.335 10 0 EDAERN O=C(Nc1ccccc1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810957 219536726 /nfs/dbraw/zinc/53/67/26/219536726.db2.gz NCIBZIYZCXZDHE-UHFFFAOYSA-N 0 0 325.372 1.154 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc43)CCO2)[nH]1 ZINC000175436693 540097386 /nfs/dbraw/zinc/09/73/86/540097386.db2.gz USEHFKYEHBNVLT-HIFRSBDPSA-N 0 0 327.388 1.536 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(C(=O)OC)co2)C1 ZINC000183556392 235139248 /nfs/dbraw/zinc/13/92/48/235139248.db2.gz JIVTXAJOKGQSRX-NSHDSACASA-N 0 0 332.360 1.697 10 0 EDAERN Cc1nc(CN2CCCN(Cc3cc(C(N)=O)cs3)CC2)no1 ZINC000179212219 540115632 /nfs/dbraw/zinc/11/56/32/540115632.db2.gz BUAGVRKJIFRMRQ-UHFFFAOYSA-N 0 0 335.433 1.246 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1C ZINC000182447366 540132152 /nfs/dbraw/zinc/13/21/52/540132152.db2.gz VNIOOOZVTPTJBI-CQSZACIVSA-N 0 0 345.443 1.293 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000189869691 540166607 /nfs/dbraw/zinc/16/66/07/540166607.db2.gz XYNQHXGTDILLAG-CHWSQXEVSA-N 0 0 331.397 1.730 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ncc(Br)s1 ZINC000192420111 540178616 /nfs/dbraw/zinc/17/86/16/540178616.db2.gz XAQGATHWTRRPKH-LURJTMIESA-N 0 0 328.195 1.242 10 0 EDAERN COc1ccc([C@H](C(=O)[O-])N2CC[NH2+]CC2)cc1Br ZINC000038052473 213198538 /nfs/dbraw/zinc/19/85/38/213198538.db2.gz HSJHOCHREGOTIO-GFCCVEGCSA-N 0 0 329.194 1.489 10 0 EDAERN CS(=O)(=O)CCCNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000038048355 213197480 /nfs/dbraw/zinc/19/74/80/213197480.db2.gz JAWLYXOLKWDCAI-UHFFFAOYSA-N 0 0 345.364 1.827 10 0 EDAERN CCOC(=O)[C@@H](C)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000105874834 219572426 /nfs/dbraw/zinc/57/24/26/219572426.db2.gz CHIVMOYYXHLADO-KGLIPLIRSA-N 0 0 326.462 1.971 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)NC[C@@H](C)N2CCOCC2)cc1F ZINC000048173593 138125145 /nfs/dbraw/zinc/12/51/45/138125145.db2.gz OCTDAIBPVNIVMN-CHWSQXEVSA-N 0 0 339.411 1.915 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000057024932 138153829 /nfs/dbraw/zinc/15/38/29/138153829.db2.gz XUNSWSIFLMTWCY-QGZVFWFLSA-N 0 0 347.459 1.734 10 0 EDAERN O=C(Cc1ccc[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000075031702 138240081 /nfs/dbraw/zinc/24/00/81/138240081.db2.gz KFOIIJGJUAPUEZ-UHFFFAOYSA-N 0 0 333.413 1.090 10 0 EDAERN C[C@H]1COC[C@H](C)N1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000077365414 138252406 /nfs/dbraw/zinc/25/24/06/138252406.db2.gz DEFBRQAVFCLXLJ-GJZGRUSLSA-N 0 0 335.423 1.584 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1OC(F)F ZINC000077938186 138256004 /nfs/dbraw/zinc/25/60/04/138256004.db2.gz XWLZPQUSCLHGTB-JQWIXIFHSA-N 0 0 342.342 1.894 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)nnn2C ZINC000088196462 138272065 /nfs/dbraw/zinc/27/20/65/138272065.db2.gz VOWKFOBCZPISDS-LLVKDONJSA-N 0 0 325.376 1.387 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc2c(c1)OCO2 ZINC000081163315 138265640 /nfs/dbraw/zinc/26/56/40/138265640.db2.gz ATQLYWQIJBNUKW-LBPRGKRZSA-N 0 0 329.360 1.650 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@@H]1C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000091778867 138284891 /nfs/dbraw/zinc/28/48/91/138284891.db2.gz IAGGHZGVAYFFMS-ZWNOBZJWSA-N 0 0 344.333 1.912 10 0 EDAERN CN(CCO)C(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000098098155 138297670 /nfs/dbraw/zinc/29/76/70/138297670.db2.gz PBNVGRLUSODSCI-AWEZNQCLSA-N 0 0 333.413 1.134 10 0 EDAERN O=C(CCOC[C@@H]1CCCO1)N1CCC(Nc2cccnn2)CC1 ZINC000105814919 138301928 /nfs/dbraw/zinc/30/19/28/138301928.db2.gz HRHNZAKKLMRQIB-HNNXBMFYSA-N 0 0 334.420 1.465 10 0 EDAERN Cc1cc(NC(=O)CSC[C@@H](O)CO)ccc1Br ZINC000093958292 138295143 /nfs/dbraw/zinc/29/51/43/138295143.db2.gz SSMINDYYDSZXLY-JTQLQIEISA-N 0 0 334.235 1.782 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1ccccc1C)CC2 ZINC000114975778 138310929 /nfs/dbraw/zinc/31/09/29/138310929.db2.gz YCSQDDXIPCQBEJ-ZFWWWQNUSA-N 0 0 343.431 1.497 10 0 EDAERN C[C@H](NCc1cn2cccnc2n1)c1ccc(S(C)(=O)=O)cc1 ZINC000124336689 138326080 /nfs/dbraw/zinc/32/60/80/138326080.db2.gz PFAQHHKZGMYJQZ-LBPRGKRZSA-N 0 0 330.413 1.984 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000130158916 138340128 /nfs/dbraw/zinc/34/01/28/138340128.db2.gz CFSYQWKXUJJGNQ-YOEHRIQHSA-N 0 0 349.406 1.330 10 0 EDAERN O=C(Nc1cccc(OCCF)c1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000130877254 138348820 /nfs/dbraw/zinc/34/88/20/138348820.db2.gz DXAXAWYRZZDKDG-OAHLLOKOSA-N 0 0 349.406 1.670 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000037859095 213171741 /nfs/dbraw/zinc/17/17/41/213171741.db2.gz SMPXGIGOUKALCF-UHFFFAOYSA-N 0 0 328.459 1.992 10 0 EDAERN COc1c(Br)cc(S(N)(=O)=O)cc1Br ZINC000036948771 213127673 /nfs/dbraw/zinc/12/76/73/213127673.db2.gz VTUPTTGBXKPLTI-UHFFFAOYSA-N 0 0 345.012 1.868 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(-n3cccn3)n1)CC2 ZINC000135528497 138426253 /nfs/dbraw/zinc/42/62/53/138426253.db2.gz OQKYFTIZKQDWIV-GFCCVEGCSA-N 0 0 337.387 1.166 10 0 EDAERN NC(=O)[C@H]1CCCN1C(=O)c1cc(Br)cn1C1CC1 ZINC000036860175 213125146 /nfs/dbraw/zinc/12/51/46/213125146.db2.gz SCSFCLTZGYEIAJ-SNVBAGLBSA-N 0 0 326.194 1.675 10 0 EDAERN Cc1cc(CNC(=O)c2cc(-c3ccccc3)nc3ncnn32)n(C)n1 ZINC000036618968 213103917 /nfs/dbraw/zinc/10/39/17/213103917.db2.gz BUDNFIPQHJEQTH-UHFFFAOYSA-N 0 0 347.382 1.763 10 0 EDAERN Nc1ccccc1SCCS(=O)(=O)NC1(CO)CCCC1 ZINC000070215741 215683173 /nfs/dbraw/zinc/68/31/73/215683173.db2.gz IGYPCORJIWBNTN-UHFFFAOYSA-N 0 0 330.475 1.585 10 0 EDAERN CCOc1ccc([C@@H](CNS(=O)(=O)CCOC)N(C)C)cc1 ZINC000036192537 213076211 /nfs/dbraw/zinc/07/62/11/213076211.db2.gz CJUGMBIGIDMBKL-OAHLLOKOSA-N 0 0 330.450 1.254 10 0 EDAERN CC[C@H](C)NS(=O)(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000036175902 213073974 /nfs/dbraw/zinc/07/39/74/213073974.db2.gz XRANEWOHHCQMIX-LBPRGKRZSA-N 0 0 348.490 1.197 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000036124315 213072030 /nfs/dbraw/zinc/07/20/30/213072030.db2.gz YAWSHARCGICRMN-KBPBESRZSA-N 0 0 344.452 1.697 10 0 EDAERN COc1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1F ZINC000187406574 236202837 /nfs/dbraw/zinc/20/28/37/236202837.db2.gz NHTNDOVADJYLTC-NSHDSACASA-N 0 0 346.362 1.522 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C(C)(C)CO1 ZINC000036102800 213066885 /nfs/dbraw/zinc/06/68/85/213066885.db2.gz HCXOENYYVCMESX-SECBINFHSA-N 0 0 326.374 1.721 10 0 EDAERN CCc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 ZINC000035741589 213047531 /nfs/dbraw/zinc/04/75/31/213047531.db2.gz GQDWVJAMOCQUNH-QIIPPGSGSA-N 0 0 330.384 1.906 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1)C1CC1 ZINC000187929948 236346055 /nfs/dbraw/zinc/34/60/55/236346055.db2.gz PVWDRQCANRFHSH-UHFFFAOYSA-N 0 0 334.441 1.465 10 0 EDAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127805504 138617695 /nfs/dbraw/zinc/61/76/95/138617695.db2.gz GZMGFGIKEGXNPG-QWHCGFSZSA-N 0 0 347.444 1.397 10 0 EDAERN COC(=O)C[C@H](C)C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245730211 291141014 /nfs/dbraw/zinc/14/10/14/291141014.db2.gz FCBSOCLCYVKDAI-CHIMOYNISA-N 0 0 327.327 1.798 10 0 EDAERN Cc1nnnn1-c1cc(NCc2nnc(C3CC3)n2C)ccc1F ZINC000171223788 138655790 /nfs/dbraw/zinc/65/57/90/138655790.db2.gz PLPWFONVWJELFF-UHFFFAOYSA-N 0 0 328.355 1.728 10 0 EDAERN O=C(CCNC(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCCC1 ZINC000173820808 138675378 /nfs/dbraw/zinc/67/53/78/138675378.db2.gz LCUQLVFOBKCMFF-CQSZACIVSA-N 0 0 334.424 1.027 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000174937599 138689730 /nfs/dbraw/zinc/68/97/30/138689730.db2.gz UTWANIIXTXDIAG-VXGBXAGGSA-N 0 0 336.388 1.588 10 0 EDAERN C[C@H](C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1)n1cncn1 ZINC000176543890 138710354 /nfs/dbraw/zinc/71/03/54/138710354.db2.gz PYMZRVGOXIZMAN-ZIAGYGMSSA-N 0 0 349.460 1.433 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)c1 ZINC000176850870 138713452 /nfs/dbraw/zinc/71/34/52/138713452.db2.gz LTOFJVOWVRQGRJ-UHFFFAOYSA-N 0 0 342.733 1.878 10 0 EDAERN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)C[C@H](O)CO ZINC000177674387 138732534 /nfs/dbraw/zinc/73/25/34/138732534.db2.gz NHUIFUFHUATIEA-LDYMZIIASA-N 0 0 346.792 1.219 10 0 EDAERN O=C(CCc1nc(-c2ccsc2)no1)N[C@H]1CCCn2ncnc21 ZINC000177523692 138730712 /nfs/dbraw/zinc/73/07/12/138730712.db2.gz JPBJAHKTHMGTIX-NSHDSACASA-N 0 0 344.400 1.974 10 0 EDAERN Cc1ccccc1NC(=O)CC[S@@](=O)Cc1nnnn1C(C)C ZINC000176576486 237342887 /nfs/dbraw/zinc/34/28/87/237342887.db2.gz KGDUMIFCMGFHOQ-HSZRJFAPSA-N 0 0 335.433 1.840 10 0 EDAERN COCCCN(Cc1ccncc1)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000106810724 219699315 /nfs/dbraw/zinc/69/93/15/219699315.db2.gz YRQHQNHMWGYQAF-CQSZACIVSA-N 0 0 345.399 1.858 10 0 EDAERN CCN(C)C(=O)CN1c2cc(Br)ccc2C(=O)C1=O ZINC000037223459 213136272 /nfs/dbraw/zinc/13/62/72/213136272.db2.gz UHLGYFLRGITGEZ-UHFFFAOYSA-N 0 0 325.162 1.457 10 0 EDAERN CC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000000219501 209491665 /nfs/dbraw/zinc/49/16/65/209491665.db2.gz GUBHSUJGMCQZMP-UHFFFAOYSA-N 0 0 331.482 1.201 10 0 EDAERN COc1cc(CO)cc(Br)c1OCCS(C)(=O)=O ZINC000037744087 213164121 /nfs/dbraw/zinc/16/41/21/213164121.db2.gz ZWJSGEMSSKFHBF-UHFFFAOYSA-N 0 0 339.207 1.373 10 0 EDAERN CCc1nc2c(cnn2C)c(NC[C@@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000072418821 216207349 /nfs/dbraw/zinc/20/73/49/216207349.db2.gz LCYZGNMNJLNKGT-LBPRGKRZSA-N 0 0 342.447 1.986 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCc2ccc(CC(C)C)cc2)C1 ZINC000185255833 138803442 /nfs/dbraw/zinc/80/34/42/138803442.db2.gz UJRUASPGALDXCV-UHFFFAOYSA-N 0 0 332.444 1.791 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccccc2OC(F)F)C1)C1CC1 ZINC000190111320 238224086 /nfs/dbraw/zinc/22/40/86/238224086.db2.gz BARKIAAFBYJGMX-UHFFFAOYSA-N 0 0 339.342 1.708 10 0 EDAERN COCCCn1cnc2c(nnc3c(-c4ccccc4)cnn32)c1=O ZINC000072449738 216238803 /nfs/dbraw/zinc/23/88/03/216238803.db2.gz OTTJHVCTRPOPCV-UHFFFAOYSA-N 0 0 336.355 1.538 10 0 EDAERN COc1ccc(OC)c(-n2ccc3c(c(C)nc4ncnn43)c2=O)c1 ZINC000072449367 216238870 /nfs/dbraw/zinc/23/88/70/216238870.db2.gz SWRZFMVPJKNICU-UHFFFAOYSA-N 0 0 337.339 1.754 10 0 EDAERN O=C([O-])[C@]12C[NH2+]C[C@H]1C(=O)N(Cc1cccc(C(F)(F)F)c1)C2 ZINC000072447951 216237896 /nfs/dbraw/zinc/23/78/96/216237896.db2.gz RHVIUYXQWNRRMB-FZMZJTMJSA-N 0 0 328.290 1.338 10 0 EDAERN O=C(c1cc(N2CCOCC2)ccn1)N1CCN2CCCC[C@@H]2C1 ZINC000130209271 223133220 /nfs/dbraw/zinc/13/32/20/223133220.db2.gz VFRBXFZJWJQEFR-MRXNPFEDSA-N 0 0 330.432 1.229 10 0 EDAERN COc1ccc(-c2noc([C@H](C)NC[C@H]3CN(C)CCO3)n2)cc1 ZINC000130449082 223153143 /nfs/dbraw/zinc/15/31/43/223153143.db2.gz XNLZCRGMKSJKAI-WFASDCNBSA-N 0 0 332.404 1.726 10 0 EDAERN O=C(Nc1ccc2ncsc2c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130689134 223169914 /nfs/dbraw/zinc/16/99/14/223169914.db2.gz MMQAZLNWOGGWIF-ZYHUDNBSSA-N 0 0 333.413 1.902 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)NC(C)C ZINC000072706191 216295799 /nfs/dbraw/zinc/29/57/99/216295799.db2.gz WDGHTLNCQNJJBA-WMLDXEAASA-N 0 0 347.459 1.814 10 0 EDAERN O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@H](Cn2cncn2)C1 ZINC000190469132 238510857 /nfs/dbraw/zinc/51/08/57/238510857.db2.gz WDCKVDHBKKJGHD-ZDUSSCGKSA-N 0 0 328.420 1.823 10 0 EDAERN C[C@H](NC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C1CC1 ZINC000025771490 212497352 /nfs/dbraw/zinc/49/73/52/212497352.db2.gz UROXJHOXXURPLN-NSHDSACASA-N 0 0 335.429 1.420 10 0 EDAERN CO[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1cccc(Cl)c1 ZINC000189153392 138862710 /nfs/dbraw/zinc/86/27/10/138862710.db2.gz UQSNFYYLZAWCHL-RBSFLKMASA-N 0 0 340.807 1.125 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(N3CCCC3=O)c2)C1)C1CC1 ZINC000189399972 138871247 /nfs/dbraw/zinc/87/12/47/138871247.db2.gz MSKYCJOTDOVXLH-UHFFFAOYSA-N 0 0 327.384 1.164 10 0 EDAERN CC(=O)N1CCOC[C@H]1C(=O)NCCc1csc2ccccc12 ZINC000195547210 240996701 /nfs/dbraw/zinc/99/67/01/240996701.db2.gz IATCCWYYYDAWHG-HNNXBMFYSA-N 0 0 332.425 1.807 10 0 EDAERN O=C(Nc1nnc2n1CCS2)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000021110769 212208565 /nfs/dbraw/zinc/20/85/65/212208565.db2.gz FBLKLRAQUNUMMO-JTQLQIEISA-N 0 0 329.385 1.375 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000191188158 138907081 /nfs/dbraw/zinc/90/70/81/138907081.db2.gz YODMVVPVOUMBMA-AWEZNQCLSA-N 0 0 341.415 1.351 10 0 EDAERN COCCNC(=O)[C@H](C)Nc1cccc(I)c1 ZINC000020315817 212118542 /nfs/dbraw/zinc/11/85/42/212118542.db2.gz VXDYIBUXHKYNAQ-VIFPVBQESA-N 0 0 348.184 1.854 10 0 EDAERN COC(=O)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000020160434 212107467 /nfs/dbraw/zinc/10/74/67/212107467.db2.gz WPXOHBWEIJDEJG-UHFFFAOYSA-N 0 0 343.357 1.521 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000193091414 138960690 /nfs/dbraw/zinc/96/06/90/138960690.db2.gz SVNMYINDGOCPSC-JQWIXIFHSA-N 0 0 325.796 1.649 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)sc1C ZINC000192998584 138958668 /nfs/dbraw/zinc/95/86/68/138958668.db2.gz ZYFGZKYNBJNUOJ-UHFFFAOYSA-N 0 0 347.444 1.834 10 0 EDAERN Cc1c(=O)nc2n(c1[C@H]1CCCN(C(=O)c3ccncc3)C1)CCC2 ZINC000019554870 212040481 /nfs/dbraw/zinc/04/04/81/212040481.db2.gz QFLHQAHNYOAZES-HNNXBMFYSA-N 0 0 338.411 1.913 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(N)ccc1Br ZINC000045624365 213746147 /nfs/dbraw/zinc/74/61/47/213746147.db2.gz RLTMOQYPTDGSEJ-NSHDSACASA-N 0 0 326.194 1.382 10 0 EDAERN CC(C)[NH2+]CCS(=O)(=O)[N-]c1ncc(Br)s1 ZINC000049644003 214023944 /nfs/dbraw/zinc/02/39/44/214023944.db2.gz KQTFTDFUYUHMCI-UHFFFAOYSA-N 0 0 328.257 1.645 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N[C@@H](C(N)=S)C1CCCCC1 ZINC000049064226 213982601 /nfs/dbraw/zinc/98/26/01/213982601.db2.gz BNCOBJYXQLNRRL-GFCCVEGCSA-N 0 0 336.479 1.094 10 0 EDAERN NS(=O)(=O)c1ccc(OCCOCC(F)(F)F)c(Cl)c1 ZINC000049311453 214000540 /nfs/dbraw/zinc/00/05/40/214000540.db2.gz PXTBXZMECBSIEC-UHFFFAOYSA-N 0 0 333.715 1.945 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(CC(C)C)CC(C)C ZINC000195519695 139019455 /nfs/dbraw/zinc/01/94/55/139019455.db2.gz ZUVWRMGNPKWSOQ-UHFFFAOYSA-N 0 0 343.493 1.958 10 0 EDAERN O=S(=O)(NCc1nn2c(nnc2C2CC2)s1)c1ccccc1 ZINC000049722171 214029390 /nfs/dbraw/zinc/02/93/90/214029390.db2.gz HKIQYEQBVSFNPE-UHFFFAOYSA-N 0 0 335.414 1.542 10 0 EDAERN O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@H]1CNC(=O)C1 ZINC000134898895 223533091 /nfs/dbraw/zinc/53/30/91/223533091.db2.gz CTPSPCRUDCJUOU-CQSZACIVSA-N 0 0 325.368 1.778 10 0 EDAERN CN(C(=O)CNC(=O)C(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136374013 223644541 /nfs/dbraw/zinc/64/45/41/223644541.db2.gz DSTSJPCPXADLJK-CYBMUJFWSA-N 0 0 333.436 1.066 10 0 EDAERN NC(=S)c1c(F)cccc1S(=O)(=O)N[C@H]1CCCSC1 ZINC000136415976 223647450 /nfs/dbraw/zinc/64/74/50/223647450.db2.gz KYTPZZYBIPVRND-QMMMGPOBSA-N 0 0 334.463 1.634 10 0 EDAERN COc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc(OC)c1C ZINC000111084456 220097984 /nfs/dbraw/zinc/09/79/84/220097984.db2.gz DDHMCHHAXYECON-OAHLLOKOSA-N 0 0 345.399 1.750 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000111344022 220141958 /nfs/dbraw/zinc/14/19/58/220141958.db2.gz DSIADVIMVHNJHY-ZDUSSCGKSA-N 0 0 340.426 1.914 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111359960 220144648 /nfs/dbraw/zinc/14/46/48/220144648.db2.gz LRZYALIMIJBECA-NSHDSACASA-N 0 0 342.808 1.021 10 0 EDAERN COCc1ccccc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111723823 220185179 /nfs/dbraw/zinc/18/51/79/220185179.db2.gz GMZMBYMMNWXFLI-OAHLLOKOSA-N 0 0 330.388 1.962 10 0 EDAERN Cc1ccc(OCCNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111795088 220191533 /nfs/dbraw/zinc/19/15/33/220191533.db2.gz XZARTBKVPWLTQZ-QGZVFWFLSA-N 0 0 344.415 1.681 10 0 EDAERN COc1cc(CNC(=O)N2CCO[C@@H](c3nccs3)C2)ccn1 ZINC000111811927 220193847 /nfs/dbraw/zinc/19/38/47/220193847.db2.gz GKBZWSCSBIBMRZ-GFCCVEGCSA-N 0 0 334.401 1.830 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCc3cccc(C(N)=O)c3)C2)c1 ZINC000111819993 220197474 /nfs/dbraw/zinc/19/74/74/220197474.db2.gz NSCBIGWIPIHJIO-MRXNPFEDSA-N 0 0 341.415 1.837 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccnc1N1CCCC1 ZINC000081583828 217422821 /nfs/dbraw/zinc/42/28/21/217422821.db2.gz CXVQTKAHFVFJOI-AWEZNQCLSA-N 0 0 326.404 1.847 10 0 EDAERN C[C@H]1C[N@H+](CCC(=O)OCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000245628967 139081482 /nfs/dbraw/zinc/08/14/82/139081482.db2.gz SSJGDUXHJIQDEU-FUHWJXTLSA-N 0 0 332.444 1.772 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCCOC2)ncn1 ZINC000245676576 139082742 /nfs/dbraw/zinc/08/27/42/139082742.db2.gz FWXPWGWBEBWBDI-KGLIPLIRSA-N 0 0 348.451 1.213 10 0 EDAERN Nc1cc(Br)cc(C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000147624181 223723848 /nfs/dbraw/zinc/72/38/48/223723848.db2.gz FSMLMKMFBDEZDD-LLVKDONJSA-N 0 0 326.194 1.430 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN(C)c1ccccc1 ZINC000083697026 217551486 /nfs/dbraw/zinc/55/14/86/217551486.db2.gz UDPFRKSIPUTUTD-HNNXBMFYSA-N 0 0 328.420 1.857 10 0 EDAERN Cc1cc([C@](C)(O)CNC(=O)N[C@@H]2CCCn3nc(C)nc32)c(C)o1 ZINC000083742520 217555293 /nfs/dbraw/zinc/55/52/93/217555293.db2.gz KVDKJOINIAYTRK-RHSMWYFYSA-N 0 0 347.419 1.838 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000083755065 217556300 /nfs/dbraw/zinc/55/63/00/217556300.db2.gz VVNWEGJGIIDHFB-OAHLLOKOSA-N 0 0 339.399 1.665 10 0 EDAERN C[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1cccc2ccccc21 ZINC000246206663 139099307 /nfs/dbraw/zinc/09/93/07/139099307.db2.gz MFBKMQIHZVYEOG-DYVFJYSZSA-N 0 0 341.411 1.203 10 0 EDAERN COCCNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246622080 139115526 /nfs/dbraw/zinc/11/55/26/139115526.db2.gz AMRJMQMHLGCULC-CHWSQXEVSA-N 0 0 327.450 1.456 10 0 EDAERN Cc1cc2ccccc2n1CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246850367 139124283 /nfs/dbraw/zinc/12/42/83/139124283.db2.gz UXUXNWJDDZSBDQ-CVEARBPZSA-N 0 0 329.444 1.863 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1cccs1 ZINC000088280990 217744759 /nfs/dbraw/zinc/74/47/59/217744759.db2.gz BYICSDUXVVRBPP-SNVBAGLBSA-N 0 0 333.417 1.283 10 0 EDAERN CN1CC[C@H](NC(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247030475 139132173 /nfs/dbraw/zinc/13/21/73/139132173.db2.gz UVIDXKMBZVAOHC-XEGUGMAKSA-N 0 0 339.798 1.477 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2COc3ccccc3C2)C[C@H]1C ZINC000247212772 139140771 /nfs/dbraw/zinc/14/07/71/139140771.db2.gz UUUJUDRQOQUCIG-ZBFHGGJFSA-N 0 0 333.432 1.352 10 0 EDAERN O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)N1CC(=O)Nc2ccccc21 ZINC000247350839 139145727 /nfs/dbraw/zinc/14/57/27/139145727.db2.gz YCVRRCFVMMBIMQ-LIRRHRJNSA-N 0 0 343.427 1.599 10 0 EDAERN C[C@H](O)C[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000247619387 139153135 /nfs/dbraw/zinc/15/31/35/139153135.db2.gz NCGKFHVXWIKKSJ-IMJJTQAJSA-N 0 0 343.431 1.967 10 0 EDAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000248401608 139161988 /nfs/dbraw/zinc/16/19/88/139161988.db2.gz ZZYPKXLQXAUHBP-DFBGVHRSSA-N 0 0 326.824 1.287 10 0 EDAERN C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091779528 218065271 /nfs/dbraw/zinc/06/52/71/218065271.db2.gz DYSYMKQFZJLTLK-GWCFXTLKSA-N 0 0 326.393 1.267 10 0 EDAERN CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 ZINC000011099431 211203220 /nfs/dbraw/zinc/20/32/20/211203220.db2.gz QYGABIVAGIHKDB-LBPRGKRZSA-N 0 0 342.355 1.933 10 0 EDAERN COCCCNC(=O)c1ccccc1NC(=S)NC(=O)C1CC1 ZINC000010122582 211150188 /nfs/dbraw/zinc/15/01/88/211150188.db2.gz SFKAYNRTLWAWCZ-UHFFFAOYSA-N 0 0 335.429 1.676 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1COc2ccccc21 ZINC000093122562 218195012 /nfs/dbraw/zinc/19/50/12/218195012.db2.gz WNLXWXFTAKZDET-CQSZACIVSA-N 0 0 330.388 1.924 10 0 EDAERN CCc1cnc2c(c(=O)n(Cc3cccnc3)c(=O)n2C)c1OC ZINC000009571563 211102949 /nfs/dbraw/zinc/10/29/49/211102949.db2.gz ZEXDGDYBNCKQTL-UHFFFAOYSA-N 0 0 326.356 1.110 10 0 EDAERN NS(=O)(=O)c1cnc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000249431135 139193313 /nfs/dbraw/zinc/19/33/13/139193313.db2.gz HDXTVLIFWLAZQH-UWVGGRQHSA-N 0 0 345.471 1.064 10 0 EDAERN Cc1ccnc(S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090368 218279902 /nfs/dbraw/zinc/27/99/02/218279902.db2.gz GWDJRFHWBQHSSC-NSHDSACASA-N 0 0 327.406 1.568 10 0 EDAERN COc1ccccc1[C@H](C)NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000251551744 139201934 /nfs/dbraw/zinc/20/19/34/139201934.db2.gz QOZICQAZUJDHHB-NWANDNLSSA-N 0 0 342.395 1.824 10 0 EDAERN COC[C@@]1(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCC[NH2+]1 ZINC000262538398 139285090 /nfs/dbraw/zinc/28/50/90/139285090.db2.gz QTALMDRJXUIQOB-ZDUSSCGKSA-N 0 0 338.351 1.151 10 0 EDAERN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1C ZINC000153030518 224048608 /nfs/dbraw/zinc/04/86/08/224048608.db2.gz DGBBUJFUSGJWID-CQSZACIVSA-N 0 0 344.419 1.556 10 0 EDAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000262966194 139315791 /nfs/dbraw/zinc/31/57/91/139315791.db2.gz KXQVKNMIUZJROX-AWEZNQCLSA-N 0 0 332.466 1.377 10 0 EDAERN COCCOCC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000177978923 533051665 /nfs/dbraw/zinc/05/16/65/533051665.db2.gz LINGWDCJFPRTNH-KBPBESRZSA-N 0 0 342.461 1.289 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000153401485 224098646 /nfs/dbraw/zinc/09/86/46/224098646.db2.gz SFMGBOJORGPUDL-HNNXBMFYSA-N 0 0 335.379 1.006 10 0 EDAERN Cc1cc(-n2c(C)cc(C(=O)N[C@H]3CCc4ncnn4C3)c2C)no1 ZINC000112658096 220366677 /nfs/dbraw/zinc/36/66/77/220366677.db2.gz RJKCWRQHMJDCAS-ZDUSSCGKSA-N 0 0 340.387 1.727 10 0 EDAERN COC(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112712305 220383048 /nfs/dbraw/zinc/38/30/48/220383048.db2.gz KGXNTSGRAPUJRN-GFCCVEGCSA-N 0 0 329.360 1.510 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000112725335 220387537 /nfs/dbraw/zinc/38/75/37/220387537.db2.gz WKLDZTIOZQLRDX-LBPRGKRZSA-N 0 0 326.335 1.552 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc3c(c1)CCO3)CC2 ZINC000114874996 220772324 /nfs/dbraw/zinc/77/23/24/220772324.db2.gz ZDEZVIBUZAKPRS-GFCCVEGCSA-N 0 0 348.428 1.069 10 0 EDAERN COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000164183049 533209130 /nfs/dbraw/zinc/20/91/30/533209130.db2.gz QIHVMRDIAORINH-LURJTMIESA-N 0 0 340.170 1.891 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1nc2ccccc2[nH]1 ZINC000171866213 533213963 /nfs/dbraw/zinc/21/39/63/533213963.db2.gz QRLNIQWEBDGGIZ-MNOVXSKESA-N 0 0 325.376 1.530 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccs2)C[C@@H]1CC ZINC000116899231 221008377 /nfs/dbraw/zinc/00/83/77/221008377.db2.gz WOMPHSDCBUVEOE-ZDUSSCGKSA-N 0 0 332.491 1.870 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCC[S@@](=O)C(C)(C)C)cn1 ZINC000116968246 221017819 /nfs/dbraw/zinc/01/78/19/221017819.db2.gz RGMKMTVHGJKXNO-DMZKTXOQSA-N 0 0 326.466 1.814 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2c(F)cccc2F)C[C@H]1C ZINC000117369672 221059046 /nfs/dbraw/zinc/05/90/46/221059046.db2.gz PREYRIGLUHUWSS-LLVKDONJSA-N 0 0 334.388 1.306 10 0 EDAERN CCOCCN1CCN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1C ZINC000117281032 221042610 /nfs/dbraw/zinc/04/26/10/221042610.db2.gz YXIRBGDTTVKANY-CQSZACIVSA-N 0 0 336.480 1.539 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCN(CCOC)[C@@H](C)C2)cc1 ZINC000117292576 221046083 /nfs/dbraw/zinc/04/60/83/221046083.db2.gz SKXRAZVLUUQFQW-HNNXBMFYSA-N 0 0 345.443 1.282 10 0 EDAERN CC[C@H]1CN(C(=O)COc2ccccc2OC)CCN1CCOC ZINC000117308578 221050624 /nfs/dbraw/zinc/05/06/24/221050624.db2.gz WMPLKDPWDWOHPJ-HNNXBMFYSA-N 0 0 336.432 1.643 10 0 EDAERN COc1ccc2c(O)c(C(=O)NCCn3cc(C)cn3)cnc2c1 ZINC000117987125 221104084 /nfs/dbraw/zinc/10/40/84/221104084.db2.gz INIMLSKGOIXHBB-UHFFFAOYSA-N 0 0 326.356 1.884 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)c1 ZINC000117800718 221090861 /nfs/dbraw/zinc/09/08/61/221090861.db2.gz RMVIOQHFOGIFRA-GDBMZVCRSA-N 0 0 330.388 1.281 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000117809779 221091939 /nfs/dbraw/zinc/09/19/39/221091939.db2.gz QHOXEPMBRUWZBY-HNNXBMFYSA-N 0 0 326.400 1.669 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)c1 ZINC000117812920 221092397 /nfs/dbraw/zinc/09/23/97/221092397.db2.gz BIYYILXVQNJMLA-GFCCVEGCSA-N 0 0 334.807 1.780 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000118074176 221111767 /nfs/dbraw/zinc/11/17/67/221111767.db2.gz UAFRHPMXHXSLPL-HNNXBMFYSA-N 0 0 327.388 1.296 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)c1 ZINC000118346048 221141967 /nfs/dbraw/zinc/14/19/67/221141967.db2.gz FCFZTVHKJHKLIF-MRXNPFEDSA-N 0 0 339.403 1.087 10 0 EDAERN C[C@@H](O)CCNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000118721150 221172725 /nfs/dbraw/zinc/17/27/25/221172725.db2.gz QGVTXKMVKIHKMW-IAQYHMDHSA-N 0 0 347.440 1.570 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000154672324 224287557 /nfs/dbraw/zinc/28/75/57/224287557.db2.gz QVXXGPAWOFKQTL-UHFFFAOYSA-N 0 0 330.480 1.705 10 0 EDAERN Cc1ccncc1NC(=O)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000119560048 221347993 /nfs/dbraw/zinc/34/79/93/221347993.db2.gz BMWKELUMXPWQTD-LBPRGKRZSA-N 0 0 342.403 1.175 10 0 EDAERN O=C(NCCOc1ncccc1Cl)N[C@@H]1CCCn2ncnc21 ZINC000119757774 221394064 /nfs/dbraw/zinc/39/40/64/221394064.db2.gz OSBBJZOFACKNOD-LLVKDONJSA-N 0 0 336.783 1.540 10 0 EDAERN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N[C@H](C)C(C)C)n1 ZINC000155068177 224353672 /nfs/dbraw/zinc/35/36/72/224353672.db2.gz JKDYRGLYHHHMGQ-LLVKDONJSA-N 0 0 329.404 1.983 10 0 EDAERN COC[C@@H]1CN(C(=O)c2cnoc2C)Cc2c1cnn2CC1CC1 ZINC000251986180 257660516 /nfs/dbraw/zinc/66/05/16/257660516.db2.gz HLVHDMIOXIISCF-ZDUSSCGKSA-N 0 0 330.388 1.976 10 0 EDAERN CO[C@H]1CCN(S(=O)(=O)c2cccs2)[C@@H]1Cc1cnn(C)c1 ZINC000248081455 257665477 /nfs/dbraw/zinc/66/54/77/257665477.db2.gz AMRLNPFAGNRHIP-OLZOCXBDSA-N 0 0 341.458 1.502 10 0 EDAERN Cc1ncsc1CN1Cc2ccnn2[C@@H](C(=O)NCC2CC2)C1 ZINC000248071878 257666642 /nfs/dbraw/zinc/66/66/42/257666642.db2.gz YTZOOCAGWNWOOQ-CQSZACIVSA-N 0 0 331.445 1.731 10 0 EDAERN CCO[C@@H]1CCN(C(=O)Cc2ccccn2)[C@@H]1Cc1cnn(C)c1 ZINC000096069960 257698076 /nfs/dbraw/zinc/69/80/76/257698076.db2.gz MVSUYYCEXOVOHF-IAGOWNOFSA-N 0 0 328.416 1.606 10 0 EDAERN Cc1nc([C@@H]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3O2)no1 ZINC000096070494 257698089 /nfs/dbraw/zinc/69/80/89/257698089.db2.gz FPTJPPDILXHCRV-FPMFFAJLSA-N 0 0 335.385 1.529 10 0 EDAERN COc1ncccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171399219 533265524 /nfs/dbraw/zinc/26/55/24/533265524.db2.gz DQRVEMCYDAEHGJ-ZDUSSCGKSA-N 0 0 329.360 1.126 10 0 EDAERN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](O)C(C)C ZINC000185876494 533296886 /nfs/dbraw/zinc/29/68/86/533296886.db2.gz ZDLJUAIVQSZESH-JKSUJKDBSA-N 0 0 332.400 1.775 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000131521487 533355590 /nfs/dbraw/zinc/35/55/90/533355590.db2.gz PQFAIXSNZITJGB-AWEZNQCLSA-N 0 0 349.479 1.390 10 0 EDAERN CO[C@]1(C)C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1(C)C ZINC000174812704 533373640 /nfs/dbraw/zinc/37/36/40/533373640.db2.gz ZABSNRFVNNZHBP-HBUWYVDXSA-N 0 0 333.432 1.586 10 0 EDAERN COC(=O)CCc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000190135801 533457537 /nfs/dbraw/zinc/45/75/37/533457537.db2.gz SYZXBEOICCISFL-CQSZACIVSA-N 0 0 343.387 1.520 10 0 EDAERN COc1cccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000171828662 533482335 /nfs/dbraw/zinc/48/23/35/533482335.db2.gz JQTGXHPDNIATDX-GOSISDBHSA-N 0 0 327.428 1.941 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(C(N)=S)c1)[C@H]1CCOC1 ZINC000166235177 533483607 /nfs/dbraw/zinc/48/36/07/533483607.db2.gz JMKFCBMBSMFJGP-BDAKNGLRSA-N 0 0 332.422 1.163 10 0 EDAERN C[C@H](NC(=O)N1CCO[C@H](C)[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000156716159 533594552 /nfs/dbraw/zinc/59/45/52/533594552.db2.gz PUSJWFLQWPEZQO-YNEHKIRRSA-N 0 0 340.445 1.970 10 0 EDAERN O=S(=O)(c1ccccc1N1CCO[C@H](CO)C1)C(F)(F)F ZINC000094267381 296472198 /nfs/dbraw/zinc/47/21/98/296472198.db2.gz UUWADIMYASENJV-VIFPVBQESA-N 0 0 325.308 1.178 10 0 EDAERN CCc1ccc(N2C[C@H](CNC(=O)N3CCOCC3)OCC2=O)cc1 ZINC000041418743 132410684 /nfs/dbraw/zinc/41/06/84/132410684.db2.gz DPFZNVHMMGEQRM-INIZCTEOSA-N 0 0 347.415 1.023 10 0 EDAERN CN(C)c1ncccc1C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000062318563 132435941 /nfs/dbraw/zinc/43/59/41/132435941.db2.gz CGMPWANAEAKHJS-UHFFFAOYSA-N 0 0 340.383 1.763 10 0 EDAERN O=S(=O)(N1CCc2ccccc2C1)N1CCC[C@H](n2cccn2)C1 ZINC000328682334 140669794 /nfs/dbraw/zinc/66/97/94/140669794.db2.gz CXVGCZVOUIOCMQ-KRWDZBQOSA-N 0 0 346.456 1.823 10 0 EDAERN C[C@@H](CC(=O)N1CC[C@H](OCc2ccccn2)C1)N1CCCCC1=O ZINC000328713790 140672063 /nfs/dbraw/zinc/67/20/63/140672063.db2.gz CTWKGIUQLNRXEJ-RDJZCZTQSA-N 0 0 345.443 1.990 10 0 EDAERN Cn1cnc2cc(C(=O)N3CCO[C@H](c4nccs4)C3)cnc21 ZINC000329279897 140704530 /nfs/dbraw/zinc/70/45/30/140704530.db2.gz LUIVQABRPAQNCT-LBPRGKRZSA-N 0 0 329.385 1.639 10 0 EDAERN Cn1cc([C@H]2[C@H](c3nc([C@H]4CCCS4)no3)OCC(=O)N2C)cn1 ZINC000329585692 140742388 /nfs/dbraw/zinc/74/23/88/140742388.db2.gz MGCVFCSNLKBKIK-KGYLQXTDSA-N 0 0 349.416 1.642 10 0 EDAERN Cn1nnc2cc(C(=O)NC[C@@H]3Cc4ccccc4N(C)C3)cnc21 ZINC000333018139 141250759 /nfs/dbraw/zinc/25/07/59/141250759.db2.gz CSVSTACFFAKFDN-LBPRGKRZSA-N 0 0 336.399 1.402 10 0 EDAERN Cc1cc(N2CCC(NC(=O)c3cnc4c(c3)ncn4C)CC2)n[nH]1 ZINC000333049607 141255699 /nfs/dbraw/zinc/25/56/99/141255699.db2.gz KYYWHGGOPPPHIA-UHFFFAOYSA-N 0 0 339.403 1.399 10 0 EDAERN CCc1nn(C)cc1CNC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000333066991 141258080 /nfs/dbraw/zinc/25/80/80/141258080.db2.gz UGGKWNLRKOEVJS-CZUORRHYSA-N 0 0 346.435 1.436 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(=O)n(C)c3ccccc23)CC[S@@](=O)C1 ZINC000333207662 141281054 /nfs/dbraw/zinc/28/10/54/141281054.db2.gz CCBAHDBVPRGVPT-SFDCACGMSA-N 0 0 332.425 1.379 10 0 EDAERN Cc1cc(CNC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cc(C)n1 ZINC000333631172 141347913 /nfs/dbraw/zinc/34/79/13/141347913.db2.gz AWFFYTPSVOLFMR-NVXWUHKLSA-N 0 0 332.448 1.703 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCc2nnc3n2CCCC3)C[C@@]12CCCO2 ZINC000333727206 141367054 /nfs/dbraw/zinc/36/70/54/141367054.db2.gz JEVOYNAGRNOOPA-RDJZCZTQSA-N 0 0 333.436 1.713 10 0 EDAERN CCOCCN1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C ZINC000247733547 286090122 /nfs/dbraw/zinc/09/01/22/286090122.db2.gz VCVOCGNIXAECFX-CHWSQXEVSA-N 0 0 337.386 1.192 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccnc3c(C(N)=O)cnn31)[C@H](C)C2 ZINC000181111311 292366445 /nfs/dbraw/zinc/36/64/45/292366445.db2.gz LDQVLLLSRKJZOU-BDJLRTHQSA-N 0 0 349.394 1.800 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ncn(-c2ccccc2)n1 ZINC000157109516 224773623 /nfs/dbraw/zinc/77/36/23/224773623.db2.gz IPRDGNHMZMRHME-AWEZNQCLSA-N 0 0 349.398 1.456 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3cccc(C)n3)CCO2)n1 ZINC000111834049 287338946 /nfs/dbraw/zinc/33/89/46/287338946.db2.gz PJRQUEWZCAFQCW-QGZVFWFLSA-N 0 0 343.431 1.814 10 0 EDAERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)c1ccc(Br)c(N)c1 ZINC000157939071 224918518 /nfs/dbraw/zinc/91/85/18/224918518.db2.gz NFDJTMNXROBOHQ-PRHODGIISA-N 0 0 349.250 1.829 10 0 EDAERN C[C@@H](C(=O)c1ccc(Br)cc1)N1CCOC[C@@H]1C(N)=O ZINC000159001785 225126312 /nfs/dbraw/zinc/12/63/12/225126312.db2.gz VHQRFSNNSQWPDQ-JOYOIKCWSA-N 0 0 341.205 1.206 10 0 EDAERN Cn1cc(S(=O)(=O)Nc2cc(N)ccc2Br)cn1 ZINC000159274367 225185013 /nfs/dbraw/zinc/18/50/13/225185013.db2.gz PFQAVRRQNCUNIG-UHFFFAOYSA-N 0 0 331.195 1.566 10 0 EDAERN O=C(Nc1ccc(-c2nccs2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121217268 287369525 /nfs/dbraw/zinc/36/95/25/287369525.db2.gz QPRLUXCNQWXYEH-CYBMUJFWSA-N 0 0 331.397 1.732 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(O)c(F)c2)C[C@@H]1C ZINC000163727164 226012748 /nfs/dbraw/zinc/01/27/48/226012748.db2.gz LXWNGHKXJIMIPF-LBPRGKRZSA-N 0 0 325.384 1.393 10 0 EDAERN C[C@@H]1CN(C(=O)c2sc(N3CCOCC3)nc2N)CCS1 ZINC000163771905 226015502 /nfs/dbraw/zinc/01/55/02/226015502.db2.gz FSCLGMDKIIAXMQ-SECBINFHSA-N 0 0 328.463 1.139 10 0 EDAERN [NH3+][C@@H]1CCCCC[C@H]1Nc1nc[n-]c(=O)c1I ZINC000164306842 226062476 /nfs/dbraw/zinc/06/24/76/226062476.db2.gz XIVWTGZTQHMOAP-HTQZYQBOSA-N 0 0 348.188 1.446 10 0 EDAERN Nc1cc(Cl)cc(-c2nnnn2C[C@@H]2CCCS2(=O)=O)c1 ZINC000165678319 226131388 /nfs/dbraw/zinc/13/13/88/226131388.db2.gz ZWUNEHBPYASFQO-NSHDSACASA-N 0 0 327.797 1.153 10 0 EDAERN Cc1ccc(N)cc1[S@](=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000165951773 226141402 /nfs/dbraw/zinc/14/14/02/226141402.db2.gz BMTVEYIDWWMWKU-ODXCJYRJSA-N 0 0 330.475 1.356 10 0 EDAERN Cc1ccc(N)cc1[S@](=O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000165952015 226141578 /nfs/dbraw/zinc/14/15/78/226141578.db2.gz BMTVEYIDWWMWKU-YUNKPMOVSA-N 0 0 330.475 1.356 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cc(C(N)=S)ccc2Cl)CC[C@@H]1O ZINC000166291453 226153400 /nfs/dbraw/zinc/15/34/00/226153400.db2.gz POQGCKZIKSWKGW-KWQFWETISA-N 0 0 348.877 1.366 10 0 EDAERN O=c1c(I)c(Cl)ncn1CCCCCO ZINC000166347421 226154600 /nfs/dbraw/zinc/15/46/00/226154600.db2.gz SKNPAJAOODAUOS-UHFFFAOYSA-N 0 0 342.564 1.664 10 0 EDAERN C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(N)ccc1Br ZINC000167719821 226198641 /nfs/dbraw/zinc/19/86/41/226198641.db2.gz NIYAKGHJFYLGSG-WPRPVWTQSA-N 0 0 329.194 1.253 10 0 EDAERN COCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F ZINC000167988837 226206004 /nfs/dbraw/zinc/20/60/04/226206004.db2.gz UNPYYOZBZYHTGV-UHFFFAOYSA-N 0 0 338.788 1.281 10 0 EDAERN COCC(C)(C)NC(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1 ZINC000167992958 226206833 /nfs/dbraw/zinc/20/68/33/226206833.db2.gz IYXWIXWTGUVRGN-UHFFFAOYSA-N 0 0 334.825 1.451 10 0 EDAERN NC(=S)c1c(F)cccc1NC(=O)[C@H]1CCCCS1(=O)=O ZINC000168463625 226214943 /nfs/dbraw/zinc/21/49/43/226214943.db2.gz CQROTPRRBNZKEK-SNVBAGLBSA-N 0 0 330.406 1.366 10 0 EDAERN C[C@@H]1CC(=O)NC(C)(C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168914089 226227757 /nfs/dbraw/zinc/22/77/57/226227757.db2.gz SNNDFMBKXAODSP-SECBINFHSA-N 0 0 340.221 1.860 10 0 EDAERN COC[C@H](NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1)C1CC1 ZINC000127106883 287433628 /nfs/dbraw/zinc/43/36/28/287433628.db2.gz ZFBLLSHWHPYBGD-KRWDZBQOSA-N 0 0 349.479 1.289 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)no1 ZINC000171335500 227022416 /nfs/dbraw/zinc/02/24/16/227022416.db2.gz DMJQSJXWQXBYHS-LLVKDONJSA-N 0 0 333.348 1.094 10 0 EDAERN C[C@H]1CCCN(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000122198643 222034982 /nfs/dbraw/zinc/03/49/82/222034982.db2.gz OCMXSCPWUMXUEN-ZDUSSCGKSA-N 0 0 339.465 1.330 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123387569 222268758 /nfs/dbraw/zinc/26/87/58/222268758.db2.gz BVUZSOQMCQRAFO-SCLBCKFNSA-N 0 0 332.400 1.787 10 0 EDAERN COCc1ccccc1CNC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171619606 227179316 /nfs/dbraw/zinc/17/93/16/227179316.db2.gz NITDJNRSIZGCCN-KRWDZBQOSA-N 0 0 343.431 1.378 10 0 EDAERN COC[C@@H](C)CNC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000172121239 227478660 /nfs/dbraw/zinc/47/86/60/227478660.db2.gz FWECMQGLIOCSKQ-ZDUSSCGKSA-N 0 0 340.493 1.951 10 0 EDAERN CCOCCC1(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000132790237 287530053 /nfs/dbraw/zinc/53/00/53/287530053.db2.gz SKHZKDHIMAFPOP-HNNXBMFYSA-N 0 0 336.436 1.500 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCCn1ccnn1 ZINC000188769572 272959389 /nfs/dbraw/zinc/95/93/89/272959389.db2.gz WJYPCZBVOMSJBU-NWDGAFQWSA-N 0 0 341.387 1.132 10 0 EDAERN COc1cccc(N2CCC[C@H](NC(=O)N3CC(NC(C)=O)C3)C2)c1 ZINC000190138425 272974052 /nfs/dbraw/zinc/97/40/52/272974052.db2.gz PWYCTBBDWVGARY-AWEZNQCLSA-N 0 0 346.431 1.194 10 0 EDAERN Cn1c(CN(C2CC2)S(=O)(=O)c2cccnc2)nnc1C1CC1 ZINC000194692547 273005111 /nfs/dbraw/zinc/00/51/11/273005111.db2.gz ZFAHETKGMDZTGU-UHFFFAOYSA-N 0 0 333.417 1.441 10 0 EDAERN CCc1ccc([C@H]2COCCN2C(=O)N[C@@H](C(=O)NC)C(C)C)o1 ZINC000178419477 267562399 /nfs/dbraw/zinc/56/23/99/267562399.db2.gz MAQYTKWCWDLDMA-UKRRQHHQSA-N 0 0 337.420 1.696 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCc3ccc(C)nc3)CCO2)cn1 ZINC000188828620 267761678 /nfs/dbraw/zinc/76/16/78/267761678.db2.gz KOUHTNQGXQPJEL-QGZVFWFLSA-N 0 0 343.431 1.932 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000162738433 272931281 /nfs/dbraw/zinc/93/12/81/272931281.db2.gz GKQHHMARZJECEZ-JTQLQIEISA-N 0 0 330.262 1.206 10 0 EDAERN CN(C)C(=O)CCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171991695 276741278 /nfs/dbraw/zinc/74/12/78/276741278.db2.gz FPYDMYAMFMSFNI-WMLDXEAASA-N 0 0 331.416 1.191 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114484536 277056031 /nfs/dbraw/zinc/05/60/31/277056031.db2.gz KONYKWOKTKRQKE-JKSUJKDBSA-N 0 0 333.436 1.064 10 0 EDAERN C[C@@H](N[C@@H](C)C(=O)Nc1ncccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000112519102 277625709 /nfs/dbraw/zinc/62/57/09/277625709.db2.gz GOSRBZQYOQQGSK-NEPJUHHUSA-N 0 0 348.428 1.558 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCCO1 ZINC000179312637 287988991 /nfs/dbraw/zinc/98/89/91/287988991.db2.gz XLNAYJWJCMDAQZ-ISTRZQFTSA-N 0 0 334.391 1.983 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)C1CCCC1 ZINC000172566138 278234394 /nfs/dbraw/zinc/23/43/94/278234394.db2.gz ZQZCXRBFBGQUOL-NSHDSACASA-N 0 0 328.376 1.296 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cccc1N(C)C ZINC000180699688 278603860 /nfs/dbraw/zinc/60/38/60/278603860.db2.gz BCLAVRASBZJQCE-ZDUSSCGKSA-N 0 0 342.403 1.242 10 0 EDAERN Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177630431 278913850 /nfs/dbraw/zinc/91/38/50/278913850.db2.gz FQFAMDKAXQXBQL-CYBMUJFWSA-N 0 0 341.415 1.780 10 0 EDAERN Nc1nc(=O)n(-c2ccc(F)c(F)c2)cc1I ZINC000091692378 279706218 /nfs/dbraw/zinc/70/62/18/279706218.db2.gz GRDHLHPLRBGEGE-UHFFFAOYSA-N 0 0 349.078 1.698 10 0 EDAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000189502834 280077311 /nfs/dbraw/zinc/07/73/11/280077311.db2.gz LZKIRAHKLCIVLP-UWWQBHOKSA-N 0 0 329.400 1.728 10 0 EDAERN CC(C)[C@H]1N(C(=O)C(C)(C)S(=O)(=O)C2CC2)C[C@@]12CCCO2 ZINC000329445565 280444824 /nfs/dbraw/zinc/44/48/24/280444824.db2.gz KZNFPIAMNPLBRL-CJNGLKHVSA-N 0 0 329.462 1.758 10 0 EDAERN CC(C)[C@H]1N(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@@]12CCCO2 ZINC000333420570 280457331 /nfs/dbraw/zinc/45/73/31/280457331.db2.gz RPAPGJVWUOZJHS-HPFXQQBRSA-N 0 0 348.447 1.849 10 0 EDAERN Cc1cnc(C(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 ZINC000077488250 281571678 /nfs/dbraw/zinc/57/16/78/281571678.db2.gz QYVSFEZOWVKITN-UHFFFAOYSA-N 0 0 348.366 1.129 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCC3(C2)OCCO3)[C@H]1c1ccccc1 ZINC000171804051 289800794 /nfs/dbraw/zinc/80/07/94/289800794.db2.gz LCHUVVSOKCFGNN-DOTOQJQBSA-N 0 0 344.411 1.572 10 0 EDAERN CNC(=O)CCCN(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000179184667 290378935 /nfs/dbraw/zinc/37/89/35/290378935.db2.gz OYIJYLYPWAUIOK-YJBOKZPZSA-N 0 0 345.443 1.581 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(F)c(F)cc1Br ZINC000091781519 295158718 /nfs/dbraw/zinc/15/87/18/295158718.db2.gz GUSFJHQSIKBIHR-SNVBAGLBSA-N 0 0 349.131 1.054 10 0 EDAERN C[C@]1(C[NH3+])CCN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)C1 ZINC000262181179 300794713 /nfs/dbraw/zinc/79/47/13/300794713.db2.gz ZBVZFLABPVFJPQ-CQSZACIVSA-N 0 0 345.852 1.522 10 0 EDAERN Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000158000062 302915337 /nfs/dbraw/zinc/91/53/37/302915337.db2.gz FVRBTQTTXSCHNK-JKSUJKDBSA-N 0 0 342.399 1.473 10 0 EDAERN O=S(=O)(c1cncc(Br)c1)N1CCCC[C@H]1CO ZINC000044243420 440826494 /nfs/dbraw/zinc/82/64/94/440826494.db2.gz OELZJAITSWSCIE-JTQLQIEISA-N 0 0 335.223 1.380 10 0 EDAERN CC(C)[C@@H](C)NC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000045038923 440942079 /nfs/dbraw/zinc/94/20/79/440942079.db2.gz KYKGPIWRQADSCL-HZPDHXFCSA-N 0 0 338.496 1.759 10 0 EDAERN COCCc1noc(CO[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000097942604 441146378 /nfs/dbraw/zinc/14/63/78/441146378.db2.gz PVOHEJMIVNRLCS-GFCCVEGCSA-N 0 0 335.360 1.673 10 0 EDAERN C[C@H](NC(=O)NC[C@H](O)COc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000105146015 441238142 /nfs/dbraw/zinc/23/81/42/441238142.db2.gz SNPAYDXRJMYDKZ-ZIBATOQPSA-N 0 0 344.358 1.571 10 0 EDAERN CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](OC(C)=O)C(=O)NC1CC1 ZINC000071973239 441202643 /nfs/dbraw/zinc/20/26/43/441202643.db2.gz UMBJIHSHCLDUFA-CHWSQXEVSA-N 0 0 328.409 1.890 10 0 EDAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000060510985 441248451 /nfs/dbraw/zinc/24/84/51/441248451.db2.gz UKCJISASBWHMQQ-CQSZACIVSA-N 0 0 340.445 1.626 10 0 EDAERN C([C@H]1CCCO1)N1CN(C[C@@H]2CCCO2)CN(C[C@@H]2CCCO2)C1 ZINC000019327075 441256796 /nfs/dbraw/zinc/25/67/96/441256796.db2.gz CSBMKJSLLGCYGV-OKZBNKHCSA-N 0 0 339.480 1.316 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cccnc2)ncn1 ZINC000105797720 441272161 /nfs/dbraw/zinc/27/21/61/441272161.db2.gz NSCWEXOZALJESR-AWEZNQCLSA-N 0 0 341.419 1.382 10 0 EDAERN CC(=O)Nc1nc(CN2CCC(Nc3cccnn3)CC2)cs1 ZINC000105804352 441274501 /nfs/dbraw/zinc/27/45/01/441274501.db2.gz JYVXQZVUIUGKAY-UHFFFAOYSA-N 0 0 332.433 1.968 10 0 EDAERN CC(=O)Nc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1 ZINC000105809722 441275606 /nfs/dbraw/zinc/27/56/06/441275606.db2.gz FPXHKDHRVMIUCG-UHFFFAOYSA-N 0 0 339.399 1.788 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CCOCC(F)(F)F)CC1 ZINC000105865952 441295972 /nfs/dbraw/zinc/29/59/72/441295972.db2.gz HVIVHOBKXORAEI-UHFFFAOYSA-N 0 0 334.386 1.733 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cnn(C)c3C)CC2)cn1 ZINC000105833706 441285551 /nfs/dbraw/zinc/28/55/51/441285551.db2.gz UYJUXZMGXJGBEG-UHFFFAOYSA-N 0 0 344.463 1.683 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105853791 441291795 /nfs/dbraw/zinc/29/17/95/441291795.db2.gz LAJKSEKVHHSFKL-JCQPUDPBSA-N 0 0 332.429 1.883 10 0 EDAERN Cc1c(C(=O)N2CCC[C@@H](n3cncn3)C2)cnn1-c1ccccn1 ZINC000105854297 441291960 /nfs/dbraw/zinc/29/19/60/441291960.db2.gz KACNVHKDJBHAQR-CQSZACIVSA-N 0 0 337.387 1.645 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000048698184 441325678 /nfs/dbraw/zinc/32/56/78/441325678.db2.gz JUFWBKCRYYOFFM-NSHDSACASA-N 0 0 342.403 1.774 10 0 EDAERN O=C(c1ccccc1-n1cnnn1)N1CCC(Cn2cccn2)CC1 ZINC000062131170 441297225 /nfs/dbraw/zinc/29/72/25/441297225.db2.gz SDMNSNSYJZXUOS-UHFFFAOYSA-N 0 0 337.387 1.411 10 0 EDAERN CCOc1ccnc(N2CCN([C@@H](C)C(=O)NCC(C)C)CC2)n1 ZINC000105868447 441298896 /nfs/dbraw/zinc/29/88/96/441298896.db2.gz XKANDQNMOZIWDZ-AWEZNQCLSA-N 0 0 335.452 1.158 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N(C)CC(F)(F)F)C2)n1 ZINC000105885437 441306538 /nfs/dbraw/zinc/30/65/38/441306538.db2.gz RESYWFXDZAVVEE-CYBMUJFWSA-N 0 0 347.385 1.628 10 0 EDAERN CCN(C(=O)CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000105889379 441308556 /nfs/dbraw/zinc/30/85/56/441308556.db2.gz ASQWDRQSZISIGF-KRWDZBQOSA-N 0 0 328.416 1.637 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084368505 441395339 /nfs/dbraw/zinc/39/53/39/441395339.db2.gz BAIOUQMDODMMTJ-OCCSQVGLSA-N 0 0 331.372 1.399 10 0 EDAERN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)NC4CC4)CC3=O)ccc21 ZINC000065195379 441406589 /nfs/dbraw/zinc/40/65/89/441406589.db2.gz YCUHPACVROAXSU-ZDUSSCGKSA-N 0 0 341.411 1.617 10 0 EDAERN Cc1cc(C)c2c(n1)nc(C(=O)NC[C@H]1CCCO1)nc2N(C)C ZINC000065231932 441408219 /nfs/dbraw/zinc/40/82/19/441408219.db2.gz QBKQGVHVLJJYSU-GFCCVEGCSA-N 0 0 329.404 1.616 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000084675286 441413315 /nfs/dbraw/zinc/41/33/15/441413315.db2.gz VBIBVKLPKBILLW-LBPRGKRZSA-N 0 0 342.371 1.987 10 0 EDAERN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313589 441417116 /nfs/dbraw/zinc/41/71/16/441417116.db2.gz YUEDNMZPKQBBLS-CYBMUJFWSA-N 0 0 346.818 1.956 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000108732732 441472960 /nfs/dbraw/zinc/47/29/60/441472960.db2.gz CKSZAMJKQVWYGP-GHMZBOCLSA-N 0 0 329.360 1.533 10 0 EDAERN CN1CCO[C@@H](CNc2cnn(Cc3ccccc3)c(=O)c2Cl)C1 ZINC000108945663 441481904 /nfs/dbraw/zinc/48/19/04/441481904.db2.gz ITVZZSZCJLCOBP-AWEZNQCLSA-N 0 0 348.834 1.688 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](COC)c1ccco1 ZINC000087250767 441485239 /nfs/dbraw/zinc/48/52/39/441485239.db2.gz QIQYJOOKJKUOQE-VXGBXAGGSA-N 0 0 333.392 1.955 10 0 EDAERN CCc1cc(=O)[nH]c(-c2ccc(N[C@@H]3CCc4ncnn4C3)nc2)n1 ZINC000109320514 441495258 /nfs/dbraw/zinc/49/52/58/441495258.db2.gz NKFDNARQHLILQT-CYBMUJFWSA-N 0 0 337.387 1.413 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000088199810 441495841 /nfs/dbraw/zinc/49/58/41/441495841.db2.gz MHBBWMPATRRFGF-CQSZACIVSA-N 0 0 339.399 1.990 10 0 EDAERN CCc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@H](C)c2ccccc2)n[nH]1 ZINC000086170447 441458835 /nfs/dbraw/zinc/45/88/35/441458835.db2.gz JNYWXIIPXKYJOA-GHMZBOCLSA-N 0 0 336.417 1.407 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000074773600 441465198 /nfs/dbraw/zinc/46/51/98/441465198.db2.gz HXBAPMBIDPICJC-VIFPVBQESA-N 0 0 339.244 1.602 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)c2nc(SC)ncc2Cl)C1 ZINC000112284671 441547660 /nfs/dbraw/zinc/54/76/60/441547660.db2.gz NUIZEHODPWHTQG-MRVPVSSYSA-N 0 0 329.809 1.877 10 0 EDAERN C[C@H](CCCO)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000088480738 441509236 /nfs/dbraw/zinc/50/92/36/441509236.db2.gz TVRAJMMBWFGJGY-NEPJUHHUSA-N 0 0 328.434 1.611 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(O)CCOCC1 ZINC000075229625 441511359 /nfs/dbraw/zinc/51/13/59/441511359.db2.gz DARWPXNQPMKRFL-GDBMZVCRSA-N 0 0 348.443 1.489 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccccc2NC(=O)C(C)(C)C)C1 ZINC000112886199 441563453 /nfs/dbraw/zinc/56/34/53/441563453.db2.gz RZINFKXAOXXGIJ-CYBMUJFWSA-N 0 0 333.432 1.732 10 0 EDAERN Cc1noc([C@H]2CN(S(=O)(=O)C(C)C)CC23CCOCC3)n1 ZINC000075877152 441562195 /nfs/dbraw/zinc/56/21/95/441562195.db2.gz AJPXMRJBQQKANR-GFCCVEGCSA-N 0 0 329.422 1.312 10 0 EDAERN O=C(Nc1cccc(Cl)c1)N1CCO[C@H](CN2CCOCC2)C1 ZINC000034685853 441600786 /nfs/dbraw/zinc/60/07/86/441600786.db2.gz HKTKJPUKABBFDU-OAHLLOKOSA-N 0 0 339.823 1.905 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C(=O)CC[C@H](N)C(=O)OC(C)(C)C ZINC000039092334 441616569 /nfs/dbraw/zinc/61/65/69/441616569.db2.gz IVOHPEFWPNSROR-NSHDSACASA-N 0 0 330.425 1.236 10 0 EDAERN O=C(NCCN1C(=O)CCC1=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000113903036 441626351 /nfs/dbraw/zinc/62/63/51/441626351.db2.gz GEDOXRHLPLHFLR-PBHICJAKSA-N 0 0 330.384 1.420 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000113895371 441626435 /nfs/dbraw/zinc/62/64/35/441626435.db2.gz FKHTWNBXSFFUSU-HNNXBMFYSA-N 0 0 348.428 1.685 10 0 EDAERN COCc1nn2c(nc(COC(=O)c3ccc(F)cc3)cc2=O)s1 ZINC000041077303 441631425 /nfs/dbraw/zinc/63/14/25/441631425.db2.gz ZYBQWDQZKDTTJW-UHFFFAOYSA-N 0 0 349.343 1.794 10 0 EDAERN COC(=O)[C@@H]1CCCN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000114454784 441658344 /nfs/dbraw/zinc/65/83/44/441658344.db2.gz SDBHHRRLMYEFNZ-GJZGRUSLSA-N 0 0 327.808 1.855 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041600699 441662566 /nfs/dbraw/zinc/66/25/66/441662566.db2.gz JGSYYXWWCDOATH-GFCCVEGCSA-N 0 0 339.823 1.424 10 0 EDAERN O=C(CN1CCCC[C@H]1c1cn[nH]c1)N1CCC2(CC1)OCCO2 ZINC000114484556 441663042 /nfs/dbraw/zinc/66/30/42/441663042.db2.gz HPUUUPMKWWBCBA-HNNXBMFYSA-N 0 0 334.420 1.302 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000114872790 441694595 /nfs/dbraw/zinc/69/45/95/441694595.db2.gz UTMSFCDSPPPFCW-LBPRGKRZSA-N 0 0 328.372 1.243 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)COCc2ccccc2)CC1 ZINC000173340958 441719164 /nfs/dbraw/zinc/71/91/64/441719164.db2.gz WXEZTEZZTMWKIG-MRXNPFEDSA-N 0 0 335.448 1.565 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCCC(=O)NC1CC1 ZINC000114588838 441668385 /nfs/dbraw/zinc/66/83/85/441668385.db2.gz LGKNMPBFNVBYPI-HNNXBMFYSA-N 0 0 347.463 1.942 10 0 EDAERN C[C@H](CNC(=O)N(C)[C@H]1CCc2ccccc2C1)N1CCOCC1 ZINC000114587129 441668485 /nfs/dbraw/zinc/66/84/85/441668485.db2.gz MZQDCQFMZOYVRM-QAPCUYQASA-N 0 0 331.460 1.906 10 0 EDAERN COc1cccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1O ZINC000137126579 441749270 /nfs/dbraw/zinc/74/92/70/441749270.db2.gz IIFWGQWYKSGJMM-NSHDSACASA-N 0 0 330.388 1.861 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)nc1 ZINC000136829626 441726754 /nfs/dbraw/zinc/72/67/54/441726754.db2.gz REPYXMRGBONXBB-GFCCVEGCSA-N 0 0 343.387 1.328 10 0 EDAERN C[C@H](NC(=O)Nc1nncs1)c1ccc(S(C)(=O)=O)cc1 ZINC000043129610 441819435 /nfs/dbraw/zinc/81/94/35/441819435.db2.gz DVANZWTVHXOZKN-QMMMGPOBSA-N 0 0 326.403 1.824 10 0 EDAERN CCO[C@H](C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000173534365 441781765 /nfs/dbraw/zinc/78/17/65/441781765.db2.gz UCLCXDZZYFSZTK-GJZGRUSLSA-N 0 0 330.388 1.791 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cn(CCC(C)C)nn3)CCO2)[nH]1 ZINC000173556007 441790570 /nfs/dbraw/zinc/79/05/70/441790570.db2.gz WZTOQYMRIOUDBT-CYBMUJFWSA-N 0 0 347.423 1.218 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cc3cc(F)ccc3F)CCO2)[nH]1 ZINC000173582418 441797902 /nfs/dbraw/zinc/79/79/02/441797902.db2.gz DUTKSJZQWSGINX-ZDUSSCGKSA-N 0 0 336.342 1.788 10 0 EDAERN CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173602752 441801860 /nfs/dbraw/zinc/80/18/60/441801860.db2.gz QQPYWSDQGIAJKE-CQSZACIVSA-N 0 0 329.360 1.285 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(C)cc3)CCO2)[nH]1 ZINC000173613030 441805580 /nfs/dbraw/zinc/80/55/80/441805580.db2.gz RQMCSIUFXUDIBV-CYBMUJFWSA-N 0 0 343.387 1.214 10 0 EDAERN CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)NC(N)=O)CC1 ZINC000093174540 441862642 /nfs/dbraw/zinc/86/26/42/441862642.db2.gz POKAQLLATBFOTC-GFCCVEGCSA-N 0 0 343.431 1.819 10 0 EDAERN CCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)ccc1=O ZINC000077685425 441830460 /nfs/dbraw/zinc/83/04/60/441830460.db2.gz DNMHCMKIKFQWKK-ZDUSSCGKSA-N 0 0 327.384 1.993 10 0 EDAERN CCOc1ncccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116587089 441831900 /nfs/dbraw/zinc/83/19/00/441831900.db2.gz SJHVCECGPTVJIS-LBPRGKRZSA-N 0 0 343.387 1.168 10 0 EDAERN CCc1nnc([C@H]2CN(S(=O)(=O)CC3CCCCC3)CCO2)[nH]1 ZINC000173738890 441832278 /nfs/dbraw/zinc/83/22/78/441832278.db2.gz WRPVHDCZAKLZSI-CYBMUJFWSA-N 0 0 342.465 1.651 10 0 EDAERN C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173775568 441838151 /nfs/dbraw/zinc/83/81/51/441838151.db2.gz SGXQNAJCVVGYCU-GOSISDBHSA-N 0 0 346.475 1.364 10 0 EDAERN CCOCc1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173774792 441838362 /nfs/dbraw/zinc/83/83/62/441838362.db2.gz BQCKKNLCFNUGHX-SFHVURJKSA-N 0 0 347.459 1.839 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1CC ZINC000116766810 441841114 /nfs/dbraw/zinc/84/11/14/441841114.db2.gz DYZBLSNZWKHZCN-CYBMUJFWSA-N 0 0 339.461 1.420 10 0 EDAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)C(=O)N1CCCCC1 ZINC000141320300 441850122 /nfs/dbraw/zinc/85/01/22/441850122.db2.gz MHWKDFOMBSZCTL-MPGHIAIKSA-N 0 0 337.464 1.724 10 0 EDAERN COc1ccnc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000122483068 441851093 /nfs/dbraw/zinc/85/10/93/441851093.db2.gz NIQZOILFODNHLD-ZDUSSCGKSA-N 0 0 327.388 1.621 10 0 EDAERN C[C@@H](NC(=O)NCC(=O)NC1CC1)c1cccc(-n2ccnc2)c1 ZINC000174216626 441904527 /nfs/dbraw/zinc/90/45/27/441904527.db2.gz JYOIUFMDQNDLGK-GFCCVEGCSA-N 0 0 327.388 1.511 10 0 EDAERN CSC(C)(C)CNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000174357111 441916572 /nfs/dbraw/zinc/91/65/72/441916572.db2.gz GLZFURVUDTZWGE-CYBMUJFWSA-N 0 0 326.466 1.744 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000119894205 441970960 /nfs/dbraw/zinc/97/09/60/441970960.db2.gz UYXDQEPMGKXVED-UHFFFAOYSA-N 0 0 334.420 1.413 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000150933359 441977445 /nfs/dbraw/zinc/97/74/45/441977445.db2.gz QPKCSGUMECYFBW-ZIAGYGMSSA-N 0 0 349.410 1.110 10 0 EDAERN CC(C)(C)n1ncc2c1nc(NCCCCn1cnnc1)[nH]c2=O ZINC000078509496 441939337 /nfs/dbraw/zinc/93/93/37/441939337.db2.gz UUESTGWOBSCWOR-UHFFFAOYSA-N 0 0 330.396 1.358 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)C1)c1cccs1 ZINC000119805565 441955631 /nfs/dbraw/zinc/95/56/31/441955631.db2.gz IJRYCHGLPYTXMJ-GJZGRUSLSA-N 0 0 344.436 1.682 10 0 EDAERN COc1ccc(COCCCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000124856608 441960387 /nfs/dbraw/zinc/96/03/87/441960387.db2.gz HJKSQSAJOYCPGO-KRWDZBQOSA-N 0 0 336.432 1.439 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H](O)c3ccccc3)C2)n1 ZINC000174921451 441984038 /nfs/dbraw/zinc/98/40/38/441984038.db2.gz USCCYUXGYATSDA-RDJZCZTQSA-N 0 0 328.416 1.867 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CCc3ccccn3)C2=O)n(C)n1 ZINC000174977655 441989686 /nfs/dbraw/zinc/98/96/86/441989686.db2.gz BURRPTCYPSZSIX-HNNXBMFYSA-N 0 0 341.415 1.368 10 0 EDAERN CCCC(=O)N1CSC[C@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125300680 442006742 /nfs/dbraw/zinc/00/67/42/442006742.db2.gz WPUZMSSOPNIVGM-AWEZNQCLSA-N 0 0 336.461 1.817 10 0 EDAERN CCC[C@@H](C(=O)NC[C@]1(N2CCOCC2)CCSC1)[NH+](C)C ZINC000161732456 442028077 /nfs/dbraw/zinc/02/80/77/442028077.db2.gz OPAOSQLUTKOMRK-GOEBONIOSA-N 0 0 329.510 1.041 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)N1CCOCC1 ZINC000175355831 442048084 /nfs/dbraw/zinc/04/80/84/442048084.db2.gz JUINTWQCGGRBGU-CQSZACIVSA-N 0 0 339.461 1.505 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C)nc1Br ZINC000151356623 442048416 /nfs/dbraw/zinc/04/84/16/442048416.db2.gz QRJXPVHBCPULRP-JTQLQIEISA-N 0 0 341.209 1.895 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151358190 442048711 /nfs/dbraw/zinc/04/87/11/442048711.db2.gz QKUWCSMOPLRYTR-KBXCAEBGSA-N 0 0 337.464 1.772 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000120351647 442054836 /nfs/dbraw/zinc/05/48/36/442054836.db2.gz HIJFYUWTYARZKI-AWEZNQCLSA-N 0 0 325.840 1.772 10 0 EDAERN CC[C@H](C)CN(C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000125896476 442059123 /nfs/dbraw/zinc/05/91/23/442059123.db2.gz KOPFKIJEDNCMNE-NWDGAFQWSA-N 0 0 337.445 1.618 10 0 EDAERN CC[C@@H]1CN(C(=O)CSCC(F)(F)F)CCN1C[C@@H](C)O ZINC000120399885 442063573 /nfs/dbraw/zinc/06/35/73/442063573.db2.gz IYYAZPUZTAIRLV-GHMZBOCLSA-N 0 0 328.400 1.586 10 0 EDAERN CC(=O)N[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)C1CCCC1 ZINC000126283949 442096392 /nfs/dbraw/zinc/09/63/92/442096392.db2.gz WAIIIMZMNOHKNB-QGZVFWFLSA-N 0 0 332.448 1.817 10 0 EDAERN Cc1nnc([C@H]2CN(c3cc(C)nc(-c4ccncc4)n3)CCO2)[nH]1 ZINC000175778171 442120123 /nfs/dbraw/zinc/12/01/23/442120123.db2.gz VEBWEELEXXRUBP-CQSZACIVSA-N 0 0 337.387 1.851 10 0 EDAERN C[C@H]1CC[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)c2ccccc21 ZINC000162766689 442120561 /nfs/dbraw/zinc/12/05/61/442120561.db2.gz PNHNHHZORGTAQS-NHYWBVRUSA-N 0 0 348.428 1.285 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC[S@](=O)C(C)(C)C ZINC000175791544 442123920 /nfs/dbraw/zinc/12/39/20/442123920.db2.gz KJOWDGQREAMARX-XFNZEKPQSA-N 0 0 327.454 1.268 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)cc1F ZINC000151841298 442128484 /nfs/dbraw/zinc/12/84/84/442128484.db2.gz QTFRXOBOKVRNDB-AWEZNQCLSA-N 0 0 334.351 1.612 10 0 EDAERN CC(C)C[C@H](CCO)CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000120791130 442133079 /nfs/dbraw/zinc/13/30/79/442133079.db2.gz ZRUCVRPHPBSJAB-JKSUJKDBSA-N 0 0 327.469 1.147 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175872116 442138205 /nfs/dbraw/zinc/13/82/05/442138205.db2.gz FTDVJUXLCNJXTR-HNNXBMFYSA-N 0 0 343.435 1.740 10 0 EDAERN COCc1ccccc1CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175665213 442101883 /nfs/dbraw/zinc/10/18/83/442101883.db2.gz OHJQYELCCDNKBP-QAPCUYQASA-N 0 0 347.459 1.695 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccccc2NCc2cccnc2)C1 ZINC000176124592 442180090 /nfs/dbraw/zinc/18/00/90/442180090.db2.gz QVGFINMDIGEDMH-INIZCTEOSA-N 0 0 340.427 1.754 10 0 EDAERN CCOc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121141181 442182590 /nfs/dbraw/zinc/18/25/90/442182590.db2.gz ASGCSIMBWBKUEA-LLVKDONJSA-N 0 0 326.780 1.661 10 0 EDAERN O=C(CCCNC(=O)c1cccnc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127333757 442193727 /nfs/dbraw/zinc/19/37/27/442193727.db2.gz IUOWLMXOFIPOCN-QFBILLFUSA-N 0 0 345.443 1.745 10 0 EDAERN COCCN1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)C[C@H]1C ZINC000152330486 442198003 /nfs/dbraw/zinc/19/80/03/442198003.db2.gz XEYSEWYSPLDSQQ-CQSZACIVSA-N 0 0 347.419 1.021 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)CC2 ZINC000151997190 442152118 /nfs/dbraw/zinc/15/21/18/442152118.db2.gz XHQVHVVBMQQBLT-GXTWGEPZSA-N 0 0 330.363 1.414 10 0 EDAERN O=Cc1ccccc1OCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126912135 442152931 /nfs/dbraw/zinc/15/29/31/442152931.db2.gz CLCYTDKSIZBDAR-CQSZACIVSA-N 0 0 328.372 1.408 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000175956325 442153106 /nfs/dbraw/zinc/15/31/06/442153106.db2.gz HOMXOTRXIYCEJV-GDBMZVCRSA-N 0 0 330.436 1.898 10 0 EDAERN O=S(=O)(N1CC[C@@H](Oc2cccnc2)C1)N1CCCCCC1 ZINC000097015739 442155121 /nfs/dbraw/zinc/15/51/21/442155121.db2.gz BAHPYMHWLVOOCW-OAHLLOKOSA-N 0 0 325.434 1.656 10 0 EDAERN O=C(CCNC(=O)N[C@@H]1CCCC[C@@H]1CO)NC1CCCCC1 ZINC000175987587 442157339 /nfs/dbraw/zinc/15/73/39/442157339.db2.gz NJHWPIDDQUZDTE-UKRRQHHQSA-N 0 0 325.453 1.676 10 0 EDAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(C)cc2C(=O)OC)C1 ZINC000152051810 442158935 /nfs/dbraw/zinc/15/89/35/442158935.db2.gz LBKCXKYVZMDCND-ZDUSSCGKSA-N 0 0 340.445 1.544 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)N[C@H]2CCCn3ncnc32)ccc1F ZINC000176036984 442164502 /nfs/dbraw/zinc/16/45/02/442164502.db2.gz RBVCWIDVRDLPIB-ZDUSSCGKSA-N 0 0 346.366 1.776 10 0 EDAERN O=C(C[C@H]1CCCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176293922 442206127 /nfs/dbraw/zinc/20/61/27/442206127.db2.gz CHRPWARXNCORLT-QZTJIDSGSA-N 0 0 332.444 1.823 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cn(C)nc3C(C)(C)C)CCO2)[nH]1 ZINC000127510476 442208469 /nfs/dbraw/zinc/20/84/69/442208469.db2.gz MOZIQURWBZESLU-LBPRGKRZSA-N 0 0 332.408 1.358 10 0 EDAERN Cc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1C(N)=O ZINC000176352715 442212956 /nfs/dbraw/zinc/21/29/56/442212956.db2.gz WARGRQRHHUPUKS-CQSZACIVSA-N 0 0 327.388 1.987 10 0 EDAERN C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1ccccc1Cl ZINC000176433597 442221383 /nfs/dbraw/zinc/22/13/83/442221383.db2.gz IXXXLMNJEFXRLS-OLZOCXBDSA-N 0 0 341.839 1.737 10 0 EDAERN CS(=O)(=O)NCc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)o1 ZINC000176558677 442233769 /nfs/dbraw/zinc/23/37/69/442233769.db2.gz ZUPDNDGVBODMND-OLZOCXBDSA-N 0 0 342.417 1.112 10 0 EDAERN CS(=O)(=O)NCc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000176558663 442233975 /nfs/dbraw/zinc/23/39/75/442233975.db2.gz ZUPDNDGVBODMND-QWHCGFSZSA-N 0 0 342.417 1.112 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)c2cnn(C)c2)c2cccs2)CCO1 ZINC000176578523 442236724 /nfs/dbraw/zinc/23/67/24/442236724.db2.gz WTFFXXIFONUMGN-OCCSQVGLSA-N 0 0 334.445 1.673 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)C2(O)CCCC2)c2cccs2)CCO1 ZINC000176601087 442238915 /nfs/dbraw/zinc/23/89/15/442238915.db2.gz GHYBATYVVCHRRO-KBPBESRZSA-N 0 0 338.473 1.931 10 0 EDAERN CC(C)COC(=O)N1CCCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000170646566 442240844 /nfs/dbraw/zinc/24/08/44/442240844.db2.gz BRSUYJDPADINDN-UHFFFAOYSA-N 0 0 335.452 1.993 10 0 EDAERN Cc1ccc(-c2ocnc2C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000128124286 442246841 /nfs/dbraw/zinc/24/68/41/442246841.db2.gz UKIPVPIHVWHBJE-HNNXBMFYSA-N 0 0 345.399 1.073 10 0 EDAERN C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000170826693 442269346 /nfs/dbraw/zinc/26/93/46/442269346.db2.gz ROKHBTPOVBKWRA-SFHVURJKSA-N 0 0 346.475 1.364 10 0 EDAERN CCCCS(=O)(=O)N1CCCN(Cc2cnn(CCC)c2)CC1 ZINC000153267792 442272130 /nfs/dbraw/zinc/27/21/30/442272130.db2.gz XJODOMNIFDVLHH-UHFFFAOYSA-N 0 0 342.509 1.931 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H](C)CS(C)(=O)=O)no1 ZINC000176923361 442273671 /nfs/dbraw/zinc/27/36/71/442273671.db2.gz QZTVJOMODLBWIF-MNOVXSKESA-N 0 0 329.422 1.537 10 0 EDAERN CCOC(=O)CCCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000170894516 442284603 /nfs/dbraw/zinc/28/46/03/442284603.db2.gz YYOJFJNJSPWHIU-CYBMUJFWSA-N 0 0 338.408 1.685 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000177035341 442288581 /nfs/dbraw/zinc/28/85/81/442288581.db2.gz VBONLTQCEIKHHJ-CABCVRRESA-N 0 0 333.432 1.571 10 0 EDAERN CCCc1cc(=O)n2nc(N[C@@H]3CCc4ncnn4C3)sc2n1 ZINC000170999802 442297588 /nfs/dbraw/zinc/29/75/88/442297588.db2.gz RULNHGBNCSOHCG-SNVBAGLBSA-N 0 0 331.405 1.122 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CCO)CSC ZINC000129723871 442329927 /nfs/dbraw/zinc/32/99/27/442329927.db2.gz RARSCWKWUVIZAP-WDEREUQCSA-N 0 0 327.454 1.089 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177397481 442336211 /nfs/dbraw/zinc/33/62/11/442336211.db2.gz UIPORHDTKIHFFX-MRXNPFEDSA-N 0 0 329.400 1.524 10 0 EDAERN CCOc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177403601 442336828 /nfs/dbraw/zinc/33/68/28/442336828.db2.gz HOBNUDPNHUJTHO-CQSZACIVSA-N 0 0 331.416 1.721 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000171287310 442338810 /nfs/dbraw/zinc/33/88/10/442338810.db2.gz YERMKWFNAJHJJO-AWEZNQCLSA-N 0 0 332.429 1.595 10 0 EDAERN OC[C@H](O)CSCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000177425385 442340308 /nfs/dbraw/zinc/34/03/08/442340308.db2.gz SODOOCUEMSZKJT-JTQLQIEISA-N 0 0 334.323 1.268 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)CC(C)(C)C ZINC000177650050 442367137 /nfs/dbraw/zinc/36/71/37/442367137.db2.gz HNOXHKJSNWBCMG-NEPJUHHUSA-N 0 0 339.440 1.356 10 0 EDAERN Cn1ccnc1CN1CCC(C(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000155509785 442403878 /nfs/dbraw/zinc/40/38/78/442403878.db2.gz AMXPQZBVUAYZGG-HZPDHXFCSA-N 0 0 334.464 1.299 10 0 EDAERN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)C[C@@H](O)CO ZINC000177674400 442368930 /nfs/dbraw/zinc/36/89/30/442368930.db2.gz NHUIFUFHUATIEA-KWQFWETISA-N 0 0 346.792 1.219 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC[C@H]1C(=O)N(CC)CC ZINC000131314828 442369684 /nfs/dbraw/zinc/36/96/84/442369684.db2.gz YXLITDWCSLXLKT-ZDUSSCGKSA-N 0 0 340.468 1.191 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000172044103 442403994 /nfs/dbraw/zinc/40/39/94/442403994.db2.gz XPBYKUVZBJUYHS-UHFFFAOYSA-N 0 0 334.342 1.853 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1COc2ccccc2C1 ZINC000177699086 442372521 /nfs/dbraw/zinc/37/25/21/442372521.db2.gz BGHHZJQYZGAWAZ-KBPBESRZSA-N 0 0 342.399 1.627 10 0 EDAERN CC1(C)C[C@H](NC(=O)CCNS(C)(=O)=O)c2ccccc2O1 ZINC000177780475 442383542 /nfs/dbraw/zinc/38/35/42/442383542.db2.gz JVMFWFHCYBYAGO-LBPRGKRZSA-N 0 0 326.418 1.344 10 0 EDAERN CCc1noc(CC)c1CC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000155409717 442395816 /nfs/dbraw/zinc/39/58/16/442395816.db2.gz WEMJWPQCNJREDI-ZDUSSCGKSA-N 0 0 347.419 1.731 10 0 EDAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177597054 442361011 /nfs/dbraw/zinc/36/10/11/442361011.db2.gz UNMSLKJBGDQGFR-LLVKDONJSA-N 0 0 327.348 1.240 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)C[C@@H]1C ZINC000177605939 442361575 /nfs/dbraw/zinc/36/15/75/442361575.db2.gz RMKDWIXZRMWVNJ-QWHCGFSZSA-N 0 0 344.415 1.020 10 0 EDAERN COc1ccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1O ZINC000172177061 442419673 /nfs/dbraw/zinc/41/96/73/442419673.db2.gz YOYMQSGQVSYACW-ZDUSSCGKSA-N 0 0 330.388 1.833 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000172214685 442424705 /nfs/dbraw/zinc/42/47/05/442424705.db2.gz HMCFVCQJJGRYAW-SMDDNHRTSA-N 0 0 327.388 1.593 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC000178398622 442430383 /nfs/dbraw/zinc/43/03/83/442430383.db2.gz ABMXEJFHNRZUPR-HUUCEWRRSA-N 0 0 337.395 1.679 10 0 EDAERN CC(=O)NC1(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CCCCC1 ZINC000134103677 442450533 /nfs/dbraw/zinc/45/05/33/442450533.db2.gz MJAJZTUQZORIJF-CQSZACIVSA-N 0 0 347.463 1.672 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCC(=O)c1ccc(OC)c(F)c1)C(C)C ZINC000178688434 442457074 /nfs/dbraw/zinc/45/70/74/442457074.db2.gz WHJFBGAEWRQDFU-MRXNPFEDSA-N 0 0 338.379 1.684 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@H](c2nccs2)C1 ZINC000186207515 442487417 /nfs/dbraw/zinc/48/74/17/442487417.db2.gz BNSAKABDXLWZLM-LBPRGKRZSA-N 0 0 336.417 1.627 10 0 EDAERN O=C(NCc1cc(Cl)cc2c1OCC2)N[C@H]1CCc2ncnn2C1 ZINC000186253404 442497159 /nfs/dbraw/zinc/49/71/59/442497159.db2.gz MXDFDQPCXFISOJ-ZDUSSCGKSA-N 0 0 347.806 1.681 10 0 EDAERN Cc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1S(N)(=O)=O ZINC000172634689 442510902 /nfs/dbraw/zinc/51/09/02/442510902.db2.gz ZJWULOIHPBOKIO-UONOGXRCSA-N 0 0 338.429 1.426 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)cn1 ZINC000191758650 442506174 /nfs/dbraw/zinc/50/61/74/442506174.db2.gz AVIOLBYIFHZIIP-HNNXBMFYSA-N 0 0 341.371 1.286 10 0 EDAERN C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nnc2n1CCCC2 ZINC000179573272 442476561 /nfs/dbraw/zinc/47/65/61/442476561.db2.gz CUDWMAVPNVAMAE-LLVKDONJSA-N 0 0 338.375 1.081 10 0 EDAERN CCOc1ccccc1C(=O)N1CCN(C(=O)C[C@H](O)C(C)C)CC1 ZINC000156430266 442479693 /nfs/dbraw/zinc/47/96/93/442479693.db2.gz OKTWCDSACKFARJ-INIZCTEOSA-N 0 0 348.443 1.777 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)nc2)C1)C1CCC1 ZINC000186184645 442480843 /nfs/dbraw/zinc/48/08/43/442480843.db2.gz MSYXBAOMEUPGHW-UHFFFAOYSA-N 0 0 329.809 1.024 10 0 EDAERN O=C(c1cccc(OC(F)F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172751965 442534121 /nfs/dbraw/zinc/53/41/21/442534121.db2.gz NMARRMYLMQJTKZ-ZDUSSCGKSA-N 0 0 326.343 1.835 10 0 EDAERN CCNC(=O)CCCC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186457443 442537471 /nfs/dbraw/zinc/53/74/71/442537471.db2.gz JLUMRGFRWCDLPI-KBPBESRZSA-N 0 0 326.437 1.383 10 0 EDAERN CC(C)C[C@H](CNC(=O)N1CC[C@]2(CCOC2)C1)N1CCOCC1 ZINC000156979707 442538509 /nfs/dbraw/zinc/53/85/09/442538509.db2.gz PGOLOKJMHRNSOK-AEFFLSMTSA-N 0 0 339.480 1.555 10 0 EDAERN O=C(CCCOc1ccccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000172767826 442539046 /nfs/dbraw/zinc/53/90/46/442539046.db2.gz XMQQHTNSCGNBIA-HNNXBMFYSA-N 0 0 336.407 1.918 10 0 EDAERN Cc1oc2ccc(NC(=O)NC[C@@H](O)CN3CCOCC3)cc2c1C ZINC000186502918 442546930 /nfs/dbraw/zinc/54/69/30/442546930.db2.gz LEFJSIZYVMCMQJ-OAHLLOKOSA-N 0 0 347.415 1.864 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2ccc(Br)s2)C1 ZINC000134689706 442512365 /nfs/dbraw/zinc/51/23/65/442512365.db2.gz XNJIBOOMSPTZAH-VIFPVBQESA-N 0 0 333.251 1.961 10 0 EDAERN CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000134829544 442526720 /nfs/dbraw/zinc/52/67/20/442526720.db2.gz SRYRSDNFUQIXFQ-HIFRSBDPSA-N 0 0 336.436 1.955 10 0 EDAERN O=C(c1cc(-n2cccn2)ccn1)N1CCC(Nc2cccnn2)CC1 ZINC000134857846 442528770 /nfs/dbraw/zinc/52/87/70/442528770.db2.gz NPAZZKDHKBDUGB-UHFFFAOYSA-N 0 0 349.398 1.774 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1cccc(-c2noc(C)n2)c1)C(C)C ZINC000178929996 442529453 /nfs/dbraw/zinc/52/94/53/442529453.db2.gz IMHKFVWZMPRGCC-CYBMUJFWSA-N 0 0 331.376 1.937 10 0 EDAERN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000180276495 442571880 /nfs/dbraw/zinc/57/18/80/442571880.db2.gz NLMBNZXPCQLFIM-AWEZNQCLSA-N 0 0 331.397 1.445 10 0 EDAERN CC(C)c1ccc([C@@H](C)NS(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000172978369 442576644 /nfs/dbraw/zinc/57/66/44/442576644.db2.gz MXPWEQRWAKXEJC-GFCCVEGCSA-N 0 0 333.475 1.835 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(NC(=O)NC(C)C)cc1)C(C)C ZINC000179126962 442578074 /nfs/dbraw/zinc/57/80/74/442578074.db2.gz KTEPATXHQCYKFS-CQSZACIVSA-N 0 0 334.420 1.717 10 0 EDAERN Cc1nn(C)c2ncc(C(=O)N[C@H](C)c3nnc4n3CCCC4)cc12 ZINC000135338809 442582017 /nfs/dbraw/zinc/58/20/17/442582017.db2.gz CWVYQWSAYWVWBW-LLVKDONJSA-N 0 0 339.403 1.696 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3cc(Br)nn3C)C2)cn1 ZINC000192126628 442598795 /nfs/dbraw/zinc/59/87/95/442598795.db2.gz OBCLFIVOARKICQ-VIFPVBQESA-N 0 0 338.209 1.546 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000180223728 442561706 /nfs/dbraw/zinc/56/17/06/442561706.db2.gz BVQUFMVAUJSNNF-CQSZACIVSA-N 0 0 343.387 1.214 10 0 EDAERN CCC[C@@](C)(CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000180236295 442563923 /nfs/dbraw/zinc/56/39/23/442563923.db2.gz NLZZEXAOPFYKGO-NHYWBVRUSA-N 0 0 346.424 1.160 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180246231 442564561 /nfs/dbraw/zinc/56/45/61/442564561.db2.gz APYCXEMNBUNWMJ-RHSMWYFYSA-N 0 0 345.443 1.367 10 0 EDAERN C[S@](=O)CCCNC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000173270076 442637667 /nfs/dbraw/zinc/63/76/67/442637667.db2.gz LAWLCWDBJPQKNH-WNDFPBNNSA-N 0 0 332.466 1.565 10 0 EDAERN CN1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000158033814 442639368 /nfs/dbraw/zinc/63/93/68/442639368.db2.gz OKOLRMVBZJIQQR-KBPBESRZSA-N 0 0 325.453 1.844 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CCCCCNC(C)=O)C12CCOCC2 ZINC000187099840 442653014 /nfs/dbraw/zinc/65/30/14/442653014.db2.gz KEAYBXDNWTVTSH-JKSUJKDBSA-N 0 0 340.464 1.773 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C12CCOCC2 ZINC000187101549 442653379 /nfs/dbraw/zinc/65/33/79/442653379.db2.gz DPMFOHPSOJOYDQ-HZPDHXFCSA-N 0 0 335.448 1.670 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CCNC(=O)CC(C)C)C12CCOCC2 ZINC000187159063 442656787 /nfs/dbraw/zinc/65/67/87/442656787.db2.gz CHNOLRATULOAEP-CABCVRRESA-N 0 0 340.464 1.629 10 0 EDAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000135579189 442613308 /nfs/dbraw/zinc/61/33/08/442613308.db2.gz QHNJBHKUFCMMQK-CZUORRHYSA-N 0 0 339.457 1.933 10 0 EDAERN COc1cc(F)cc(CNC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000180548050 442620670 /nfs/dbraw/zinc/62/06/70/442620670.db2.gz VIXKWMXVDLRZCF-AWEZNQCLSA-N 0 0 333.367 1.973 10 0 EDAERN C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(Cl)s1 ZINC000186908030 442627764 /nfs/dbraw/zinc/62/77/64/442627764.db2.gz UVVFGULOJXUOAN-ZETCQYMHSA-N 0 0 345.833 1.935 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(CC)C[C@H](O)C(F)(F)F ZINC000187510573 442679495 /nfs/dbraw/zinc/67/94/95/442679495.db2.gz RQONVPBHCUOMFA-ZJUUUORDSA-N 0 0 349.357 1.630 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCc1cc(C(N)=O)co1 ZINC000188003533 442702559 /nfs/dbraw/zinc/70/25/59/442702559.db2.gz XPDLHOJOYGGERL-AWEZNQCLSA-N 0 0 345.403 1.776 10 0 EDAERN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000192620272 442668901 /nfs/dbraw/zinc/66/89/01/442668901.db2.gz AKWZWFOXFYFHLN-WPRPVWTQSA-N 0 0 342.804 1.872 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000181922214 442721577 /nfs/dbraw/zinc/72/15/77/442721577.db2.gz KHYXOOZSKLCKNR-YESZJQIVSA-N 0 0 341.496 1.536 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCC2(CCOC)CCC2)CC1 ZINC000181990508 442725899 /nfs/dbraw/zinc/72/58/99/442725899.db2.gz LSFKLRYJRACJDT-HNNXBMFYSA-N 0 0 327.469 1.291 10 0 EDAERN COC[C@@H]1CN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C[C@H](C)O1 ZINC000188255767 442730179 /nfs/dbraw/zinc/73/01/79/442730179.db2.gz FRFZDSVZYNSDGA-OFQRWUPVSA-N 0 0 328.453 1.436 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC2(c3ccccc3)CCC2)C1 ZINC000188279106 442733052 /nfs/dbraw/zinc/73/30/52/442733052.db2.gz PGHKXFUAKKUOKW-UHFFFAOYSA-N 0 0 331.416 1.265 10 0 EDAERN CC[C@H]1CN(C(=O)NCc2ccc(Cl)cn2)CC[N@@H+]1C[C@@H](C)O ZINC000182144896 442739592 /nfs/dbraw/zinc/73/95/92/442739592.db2.gz GGMAWZYJIQYSNY-DOMZBBRYSA-N 0 0 340.855 1.722 10 0 EDAERN CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181709977 442711825 /nfs/dbraw/zinc/71/18/25/442711825.db2.gz ALFFXNNKWZOHAY-ABAIWWIYSA-N 0 0 341.481 1.130 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)Cc1cccnc1)CC2 ZINC000181734162 442713502 /nfs/dbraw/zinc/71/35/02/442713502.db2.gz YZZNOVZGVSDKEZ-AWEZNQCLSA-N 0 0 328.420 1.953 10 0 EDAERN NC(=O)c1cccc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000182342105 442758627 /nfs/dbraw/zinc/75/86/27/442758627.db2.gz MRJSWUJRWLGHCE-OAHLLOKOSA-N 0 0 327.388 1.945 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000188587605 442765696 /nfs/dbraw/zinc/76/56/96/442765696.db2.gz CELFYTKYFDLFFM-RHSMWYFYSA-N 0 0 342.399 1.409 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnn(CCC(F)(F)F)c1 ZINC000182425408 442766111 /nfs/dbraw/zinc/76/61/11/442766111.db2.gz YLMXVPMINYDDRA-JTQLQIEISA-N 0 0 328.298 1.172 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c(Cl)n1 ZINC000193891533 442806822 /nfs/dbraw/zinc/80/68/22/442806822.db2.gz HKQLFZIZTLDNJU-LLVKDONJSA-N 0 0 341.824 1.661 10 0 EDAERN COC(=O)[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1 ZINC000182517326 442780124 /nfs/dbraw/zinc/78/01/24/442780124.db2.gz PKVWZFFJAHLOJI-SFHVURJKSA-N 0 0 338.363 1.754 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)N[C@H]2CCOC2)c2cccs2)CCO1 ZINC000246467769 442783966 /nfs/dbraw/zinc/78/39/66/442783966.db2.gz DYZSBXWCRJWMGW-RDBSUJKOSA-N 0 0 339.461 1.598 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)COc1ccccc1Br ZINC000188867402 442831377 /nfs/dbraw/zinc/83/13/77/442831377.db2.gz WKIOSRVNJYVBSC-SNVBAGLBSA-N 0 0 341.205 1.565 10 0 EDAERN C[C@H](CNC(=O)c1cc(N(C)C)nc2ccccc21)N1CCOCC1 ZINC000182708290 442811407 /nfs/dbraw/zinc/81/14/07/442811407.db2.gz XRLFZIJHKUUSFF-CQSZACIVSA-N 0 0 342.443 1.751 10 0 EDAERN CO[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188787345 442812793 /nfs/dbraw/zinc/81/27/93/442812793.db2.gz PQPKPRXRCXLRGG-INIZCTEOSA-N 0 0 331.416 1.684 10 0 EDAERN C[C@@H](NC(=O)NCCCn1ccnn1)c1cccc(-n2ccnc2)c1 ZINC000182793497 442826392 /nfs/dbraw/zinc/82/63/92/442826392.db2.gz WARUMWGYXBZMBA-CQSZACIVSA-N 0 0 339.403 1.914 10 0 EDAERN COCCC1(CNC(=O)N2CC(NC(=O)C3CCC3)C2)CCCC1 ZINC000188896933 442837966 /nfs/dbraw/zinc/83/79/66/442837966.db2.gz VLZDFXDBVXVXMQ-UHFFFAOYSA-N 0 0 337.464 1.893 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000188914710 442841084 /nfs/dbraw/zinc/84/10/84/442841084.db2.gz VJSGNAYGDJPCRW-GFCCVEGCSA-N 0 0 332.400 1.993 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc(Br)s1 ZINC000188933702 442844729 /nfs/dbraw/zinc/84/47/29/442844729.db2.gz XZRXQNXKYOZHEO-MRVPVSSYSA-N 0 0 331.235 1.790 10 0 EDAERN Cc1cnn(CCNC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)c1 ZINC000189047180 442866285 /nfs/dbraw/zinc/86/62/85/442866285.db2.gz CHYPTOZPRSMNCJ-GASCZTMLSA-N 0 0 343.431 1.630 10 0 EDAERN O=C(CNC(=O)N[C@@H]1CCOc2ccccc21)NCC(F)(F)F ZINC000194259651 442867939 /nfs/dbraw/zinc/86/79/39/442867939.db2.gz MFSZWVNTXYUYLJ-SNVBAGLBSA-N 0 0 331.294 1.488 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000189084071 442873247 /nfs/dbraw/zinc/87/32/47/442873247.db2.gz MWZNFDHDJOEWSQ-KBPBESRZSA-N 0 0 347.440 1.995 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000194351902 442881344 /nfs/dbraw/zinc/88/13/44/442881344.db2.gz OXDGXAIZUUVEQJ-CHWSQXEVSA-N 0 0 349.387 1.869 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000189140200 442884823 /nfs/dbraw/zinc/88/48/23/442884823.db2.gz CMZVCUJTPUGESN-MPKXVKKWSA-N 0 0 340.807 1.205 10 0 EDAERN C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000248417511 442890357 /nfs/dbraw/zinc/89/03/57/442890357.db2.gz RIMGNBNQKJKSFI-IGQOVBAYSA-N 0 0 326.437 1.909 10 0 EDAERN CCc1nc(CNC(=O)N2CCN(C[C@@H](O)CC)CC2)cs1 ZINC000181730313 318488588 /nfs/dbraw/zinc/48/85/88/318488588.db2.gz FHYJTVUHOXSADN-ZDUSSCGKSA-N 0 0 326.466 1.304 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000189246914 442904206 /nfs/dbraw/zinc/90/42/06/442904206.db2.gz KHLSFGZUHJTHQM-UHFFFAOYSA-N 0 0 331.294 1.615 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](CCO)CC(C)C)CC1 ZINC000181881639 318491843 /nfs/dbraw/zinc/49/18/43/318491843.db2.gz ZKHCIKKYVURGJV-HOTGVXAUSA-N 0 0 329.485 1.129 10 0 EDAERN O=S(=O)(c1cccc2nsnc21)N1CCN2CCCC[C@H]2C1 ZINC000248661403 442915184 /nfs/dbraw/zinc/91/51/84/442915184.db2.gz FGBNWJQWIFJBMC-NSHDSACASA-N 0 0 338.458 1.550 10 0 EDAERN CCc1cnccc1C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000182541310 318507935 /nfs/dbraw/zinc/50/79/35/318507935.db2.gz IHOIMXCQHPWTDI-INIZCTEOSA-N 0 0 328.416 1.999 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N(C)c2nccs2)C1 ZINC000189340666 442925189 /nfs/dbraw/zinc/92/51/89/442925189.db2.gz FTVVHOPKYIAJJC-WDEREUQCSA-N 0 0 337.405 1.259 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@H]3CCOC[C@H]3C)CC2)n1 ZINC000248838591 442929366 /nfs/dbraw/zinc/92/93/66/442929366.db2.gz FCCUNPINNMWMRY-RDBSUJKOSA-N 0 0 336.436 1.510 10 0 EDAERN Cc1ccc(N2CCCC2)c(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189368196 442930980 /nfs/dbraw/zinc/93/09/80/442930980.db2.gz PNYSCSDHXNFYIG-UHFFFAOYSA-N 0 0 327.428 1.946 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)C1)C1CC1 ZINC000189395608 442939799 /nfs/dbraw/zinc/93/97/99/442939799.db2.gz WKCDXOHTHXITGY-MRXNPFEDSA-N 0 0 341.411 1.028 10 0 EDAERN Cc1ccc(C)n1-c1c(C(=O)N2CC(NC(=O)C3CC3)C2)cnn1C ZINC000189413651 442945204 /nfs/dbraw/zinc/94/52/04/442945204.db2.gz UIFKHQJOLBTFAL-UHFFFAOYSA-N 0 0 341.415 1.178 10 0 EDAERN O=C(NC1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1)C1CC1 ZINC000189414234 442945772 /nfs/dbraw/zinc/94/57/72/442945772.db2.gz RNYONRNJMUWCBJ-UHFFFAOYSA-N 0 0 344.802 1.876 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000189422423 442948166 /nfs/dbraw/zinc/94/81/66/442948166.db2.gz FKVMLUPVVIMGNK-AWEZNQCLSA-N 0 0 345.378 1.813 10 0 EDAERN CCN(c1ccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)cc1)C(C)C ZINC000189531860 442974661 /nfs/dbraw/zinc/97/46/61/442974661.db2.gz WXUYCTWKODVRKO-HNNXBMFYSA-N 0 0 348.447 1.486 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000184184615 442999214 /nfs/dbraw/zinc/99/92/14/442999214.db2.gz RZCANMCKNYOYBW-SECBINFHSA-N 0 0 334.763 1.955 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(=O)[nH]c(C4CC4)c3)CCO2)c1 ZINC000184494572 443028810 /nfs/dbraw/zinc/02/88/10/443028810.db2.gz GNRYQQIQSOUSSO-HNNXBMFYSA-N 0 0 342.399 1.298 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@H](O)c1cccc(OC)c1 ZINC000184502250 443030157 /nfs/dbraw/zinc/03/01/57/443030157.db2.gz PRWZZJWXVTVHFB-SJORKVTESA-N 0 0 336.432 1.346 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C\c1cnc(C)s1 ZINC000255143988 443087401 /nfs/dbraw/zinc/08/74/01/443087401.db2.gz YMZVDLMJEPVATG-FOQNGQEVSA-N 0 0 333.417 1.854 10 0 EDAERN O=C(CCO)N(CCO[C@@H]1CCCCO1)CCO[C@H]1CCCCO1 ZINC000217457329 443057302 /nfs/dbraw/zinc/05/73/02/443057302.db2.gz IHERBTZYQKVXDT-CALCHBBNSA-N 0 0 345.436 1.284 10 0 EDAERN Cc1cnc(C)c2nc(/C=C/c3nc(Br)nn3C)nn21 ZINC000218417564 443057747 /nfs/dbraw/zinc/05/77/47/443057747.db2.gz SVKJQMJJJKUDID-SNAWJCMRSA-N 0 0 334.181 1.803 10 0 EDAERN COCC(=O)NC1CN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000185087518 443134019 /nfs/dbraw/zinc/13/40/19/443134019.db2.gz LELRNAOKXSQVQV-CYBMUJFWSA-N 0 0 332.322 1.186 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)s1 ZINC000190566222 443138706 /nfs/dbraw/zinc/13/87/06/443138706.db2.gz JKUMWQMZNHKXEC-SNVBAGLBSA-N 0 0 334.405 1.099 10 0 EDAERN O=C(NOC[C@H]1CCOC1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000190444062 443109791 /nfs/dbraw/zinc/10/97/91/443109791.db2.gz BYRBVHLLPRWEPC-KBPBESRZSA-N 0 0 349.435 1.819 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000185046547 443125174 /nfs/dbraw/zinc/12/51/74/443125174.db2.gz CBTDFOXDFUISMA-OAHLLOKOSA-N 0 0 340.445 1.250 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)C1 ZINC000185260018 443171855 /nfs/dbraw/zinc/17/18/55/443171855.db2.gz PBQXEHKRQPEXFQ-LLVKDONJSA-N 0 0 340.807 1.389 10 0 EDAERN NC(=O)c1cc(I)nc(OC(F)(F)F)c1 ZINC000238611590 443196621 /nfs/dbraw/zinc/19/66/21/443196621.db2.gz OKIBEELALSYZNJ-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN COCC(=O)NC1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000185264259 443172607 /nfs/dbraw/zinc/17/26/07/443172607.db2.gz MSUJSAAVNIXFNP-CYBMUJFWSA-N 0 0 344.333 1.696 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)N(C)CC(F)(F)F)CCO2)cn1 ZINC000190735915 443173108 /nfs/dbraw/zinc/17/31/08/443173108.db2.gz QCJZJPCDWVRWLF-LBPRGKRZSA-N 0 0 334.342 1.297 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)N(C)CC(F)(F)F)CCO2)cn1 ZINC000190735930 443173253 /nfs/dbraw/zinc/17/32/53/443173253.db2.gz QCJZJPCDWVRWLF-GFCCVEGCSA-N 0 0 334.342 1.297 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)cn1 ZINC000190784112 443183114 /nfs/dbraw/zinc/18/31/14/443183114.db2.gz YTCASUVSFNIOSW-MRXNPFEDSA-N 0 0 332.448 1.581 10 0 EDAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N[C@@H](c1ccccc1)C1CCCC1 ZINC000185151337 443148854 /nfs/dbraw/zinc/14/88/54/443148854.db2.gz LNRUGWARAXLZEI-LMMKCTJWSA-N 0 0 332.444 1.462 10 0 EDAERN COC1(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)CCCCC1 ZINC000185570719 443220860 /nfs/dbraw/zinc/22/08/60/443220860.db2.gz JZIBREVUFSPXOA-CQSZACIVSA-N 0 0 348.447 1.689 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000185611304 443226745 /nfs/dbraw/zinc/22/67/45/443226745.db2.gz KOINXKRDPHESRW-APPDUMDISA-N 0 0 349.406 1.606 10 0 EDAERN COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c(OC(F)F)c1 ZINC000191029581 443228019 /nfs/dbraw/zinc/22/80/19/443228019.db2.gz BKHXASZIMJDDPO-NSHDSACASA-N 0 0 330.331 1.357 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000190863929 443198974 /nfs/dbraw/zinc/19/89/74/443198974.db2.gz XXVTVSXSLZCWTI-CYBMUJFWSA-N 0 0 348.827 1.862 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)C1 ZINC000185461530 443203400 /nfs/dbraw/zinc/20/34/00/443203400.db2.gz XJWCWZKDYGFDIO-SECBINFHSA-N 0 0 343.786 1.697 10 0 EDAERN O=C(C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)N1CCc2c1cccc2F ZINC000185759786 443252893 /nfs/dbraw/zinc/25/28/93/443252893.db2.gz GTGDSOGVLPPTJN-ORAYPTAESA-N 0 0 346.402 1.868 10 0 EDAERN CCCn1ccc2cc(NC(=O)C(=O)N3CC(NC(C)=O)C3)ccc21 ZINC000191340495 443281077 /nfs/dbraw/zinc/28/10/77/443281077.db2.gz SOCAEHVXZAVAGB-UHFFFAOYSA-N 0 0 342.399 1.337 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cc(C(C)=O)cn2C)C12CCOCC2 ZINC000185935846 443287115 /nfs/dbraw/zinc/28/71/15/443287115.db2.gz KSYKIHHXAOVVBI-HOTGVXAUSA-N 0 0 334.416 1.932 10 0 EDAERN COCCN1CCN(C(=O)/C=C\c2ccc(OC)c(O)c2)C[C@@H]1C ZINC000492703528 320383217 /nfs/dbraw/zinc/38/32/17/320383217.db2.gz INYCMTIBKLBKQQ-VSKVDJIOSA-N 0 0 334.416 1.593 10 0 EDAERN COCC(=O)NC1CN(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000492735934 320383889 /nfs/dbraw/zinc/38/38/89/320383889.db2.gz AEIFZOVCIBJLTN-SREVYHEPSA-N 0 0 325.368 1.221 10 0 EDAERN C[NH+](C)C[C@@H](O)C[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000310032068 444290793 /nfs/dbraw/zinc/29/07/93/444290793.db2.gz YCHRYRCYLJSKRD-LRDDRELGSA-N 0 0 330.425 1.401 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173540 450433857 /nfs/dbraw/zinc/43/38/57/450433857.db2.gz OELLBUWNYLBLGB-ZWNOBZJWSA-N 0 0 344.371 1.248 10 0 EDAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cccc(Br)c1 ZINC000392882296 447527407 /nfs/dbraw/zinc/52/74/07/447527407.db2.gz VSPTWDRCBOXOEZ-LDYMZIIASA-N 0 0 347.234 1.395 10 0 EDAERN COC(=O)Cc1cc(N)c(I)c([N+](=O)[O-])c1 ZINC000575640726 447879439 /nfs/dbraw/zinc/87/94/39/447879439.db2.gz OQEGAXFKUKVDLW-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN O=C(CCOc1cccc(Cl)c1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618224 448446441 /nfs/dbraw/zinc/44/64/41/448446441.db2.gz SVYXFRRORJAYFG-HNNXBMFYSA-N 0 0 336.779 1.347 10 0 EDAERN CCN1CCN(C(=O)N[C@@H](COC)C2CC2)C[C@H]1c1nccn1C ZINC000583623263 448454326 /nfs/dbraw/zinc/45/43/26/448454326.db2.gz QATCZKVVNJKCAI-GJZGRUSLSA-N 0 0 335.452 1.233 10 0 EDAERN COc1ccccc1OCC[NH2+]C[C@H](O)COC(C)(C)C(C)=O ZINC000584624406 448586683 /nfs/dbraw/zinc/58/66/83/448586683.db2.gz DAPDDONBWFRHQC-AWEZNQCLSA-N 0 0 325.405 1.409 10 0 EDAERN CC(=O)c1nnn(Cc2ccccn2)c1I ZINC000584624227 448586779 /nfs/dbraw/zinc/58/67/79/448586779.db2.gz KBRMHWIPADNIEH-UHFFFAOYSA-N 0 0 328.113 1.529 10 0 EDAERN O=C1O[C@H](O)C([S@](=O)c2ccc(Br)cc2)=C1Cl ZINC000584634434 448587676 /nfs/dbraw/zinc/58/76/76/448587676.db2.gz BHDCQBMPCICCSN-DYZYQPBXSA-N 0 0 337.578 1.882 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)Nc2ncc(C)o2)[C@H]1c1ccnn1C ZINC000622817953 450309361 /nfs/dbraw/zinc/30/93/61/450309361.db2.gz VNBGODUZKQNNQY-FZMZJTMJSA-N 0 0 331.376 1.655 10 0 EDAERN CN1C[C@@H](CNC(=O)c2c(F)cccc2Br)CC1=O ZINC000619003676 450373575 /nfs/dbraw/zinc/37/35/75/450373575.db2.gz LQXOQUWCAOSXFM-MRVPVSSYSA-N 0 0 329.169 1.796 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc4c[nH]nc4c3)C[C@@H](C)O2)o1 ZINC000619286718 450446426 /nfs/dbraw/zinc/44/64/26/450446426.db2.gz IOWURRYTMQPUJV-MEBBXXQBSA-N 0 0 341.371 1.785 10 0 EDAERN CS(=O)(=O)N1C[C@@H](c2ccccc2C(N)=O)Cc2ccccc21 ZINC000616590499 450453734 /nfs/dbraw/zinc/45/37/34/450453734.db2.gz WYKHPDWRRQTPBC-ZDUSSCGKSA-N 0 0 330.409 1.891 10 0 EDAERN NC(=O)c1cccc([C@H]2COCCN2S(=O)(=O)c2ccccc2)c1 ZINC000616600727 450454400 /nfs/dbraw/zinc/45/44/00/450454400.db2.gz IGWVENQOQHGTTI-MRXNPFEDSA-N 0 0 346.408 1.548 10 0 EDAERN NC(=O)c1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1 ZINC000616602286 450454423 /nfs/dbraw/zinc/45/44/23/450454423.db2.gz HHVZPJHWILLQJI-MRXNPFEDSA-N 0 0 346.408 1.548 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2c[nH]nc2N)CC1 ZINC000616596151 450454714 /nfs/dbraw/zinc/45/47/14/450454714.db2.gz QLTYRTCINBLGIK-GFCCVEGCSA-N 0 0 325.413 1.280 10 0 EDAERN NC(=O)c1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000616626649 450456500 /nfs/dbraw/zinc/45/65/00/450456500.db2.gz ULILYQIKHCYUQH-HNNXBMFYSA-N 0 0 330.409 1.964 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1cccc(N)n1 ZINC000616647831 450457881 /nfs/dbraw/zinc/45/78/81/450457881.db2.gz GWTMETIYEXMULB-AWEZNQCLSA-N 0 0 336.436 1.952 10 0 EDAERN NC(=O)c1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)cc1 ZINC000616653253 450457968 /nfs/dbraw/zinc/45/79/68/450457968.db2.gz KEKIJKZKPNKQCB-MRXNPFEDSA-N 0 0 345.424 1.121 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3ccnc4c3ncn4C)C[C@@H](C)O2)n1 ZINC000628858475 451442030 /nfs/dbraw/zinc/44/20/30/451442030.db2.gz ADCCDBUFRGFICH-BXKDBHETSA-N 0 0 342.359 1.262 10 0 EDAERN COc1nsc(CN[C@H]2CCC(=O)N[C@@H]2C)c1Br ZINC000639137416 451775164 /nfs/dbraw/zinc/77/51/64/451775164.db2.gz YRQPZQCOYALGCB-RQJHMYQMSA-N 0 0 334.239 1.671 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCc2cc(Cl)ccc2C1 ZINC000644449084 453471596 /nfs/dbraw/zinc/47/15/96/453471596.db2.gz IASZQIGCDFRNSB-HNNXBMFYSA-N 0 0 336.819 1.598 10 0 EDAERN CCNC(=O)[C@@H]1C[C@H](c2ccc(OC)c(OC)c2)CN(C(C)=O)C1 ZINC000034709270 487162888 /nfs/dbraw/zinc/16/28/88/487162888.db2.gz YZMGKEPQSVYNHI-LSDHHAIUSA-N 0 0 334.416 1.792 10 0 EDAERN CCOC(=O)C(CCS(=O)(=O)c1ccccc1)C(=O)OCC ZINC000584651481 485900163 /nfs/dbraw/zinc/90/01/63/485900163.db2.gz YRNPQKYNDCBMDZ-UHFFFAOYSA-N 0 0 328.386 1.593 10 0 EDAERN O[C@]1(Cn2ccnn2)CCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000671554074 486650449 /nfs/dbraw/zinc/65/04/49/486650449.db2.gz MIQIRRGYYLNZPJ-CYBMUJFWSA-N 0 0 328.203 1.617 10 0 EDAERN C[C@@H](NC(=O)C[C@H]1c2ccccc2NC1=O)c1nnc2n1CCCC2 ZINC000135266683 491228426 /nfs/dbraw/zinc/22/84/26/491228426.db2.gz WIZMZAOSUKLVKH-YPMHNXCESA-N 0 0 339.399 1.918 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000130587624 491006516 /nfs/dbraw/zinc/00/65/16/491006516.db2.gz CMIVHCXJCRUIBR-LLVKDONJSA-N 0 0 332.404 1.573 10 0 EDAERN COC1(CNC(=O)N2CCC[C@@H]2Cn2ccnc2C)CCOCC1 ZINC000126053390 491013577 /nfs/dbraw/zinc/01/35/77/491013577.db2.gz HRJCGQVGBATRJM-OAHLLOKOSA-N 0 0 336.436 1.561 10 0 EDAERN COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000074863441 491015381 /nfs/dbraw/zinc/01/53/81/491015381.db2.gz ZXLYYDATSZEFGW-VIFPVBQESA-N 0 0 332.809 1.105 10 0 EDAERN C[C@H]1CN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CCS1 ZINC000171691759 533909639 /nfs/dbraw/zinc/90/96/39/533909639.db2.gz JYWYDRJTCHMWLC-AWEZNQCLSA-N 0 0 337.464 1.912 10 0 EDAERN COc1cc(F)cc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000180555503 534003596 /nfs/dbraw/zinc/00/35/96/534003596.db2.gz OKJUZBUKQZAHEN-INIZCTEOSA-N 0 0 348.378 1.641 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)ccc1F ZINC000173997426 534035444 /nfs/dbraw/zinc/03/54/44/534035444.db2.gz OISOMNSJBZUOTD-ZDUSSCGKSA-N 0 0 328.409 1.229 10 0 EDAERN COC(=O)c1ccc(CN2CCC(N(C)c3cccnn3)CC2)o1 ZINC000171553052 534103374 /nfs/dbraw/zinc/10/33/74/534103374.db2.gz JNZAFNVDMBXLHF-UHFFFAOYSA-N 0 0 330.388 1.957 10 0 EDAERN COC(=O)c1ccc(N)c(-n2cc(I)cn2)n1 ZINC000167503189 534184566 /nfs/dbraw/zinc/18/45/66/534184566.db2.gz VDICYTQXJPNEET-UHFFFAOYSA-N 0 0 344.112 1.241 10 0 EDAERN COC(=O)[C@@H](C)S(=O)(=O)Nc1cc(N)ccc1Br ZINC000159274802 534231925 /nfs/dbraw/zinc/23/19/25/534231925.db2.gz UKNLPVXUZGIZAM-ZCFIWIBFSA-N 0 0 337.195 1.335 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)C[C@@H](C)O1 ZINC000180376535 534295567 /nfs/dbraw/zinc/29/55/67/534295567.db2.gz RNXOVGAIPGKDIB-GHMZBOCLSA-N 0 0 329.360 1.046 10 0 EDAERN COC(=O)c1ncsc1S(=O)(=O)N(C)Cc1ccncc1 ZINC000136426852 534367991 /nfs/dbraw/zinc/36/79/91/534367991.db2.gz GQASYYWBWMZAOF-UHFFFAOYSA-N 0 0 327.387 1.145 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[C@H]1CCCCO1 ZINC000183574076 534406706 /nfs/dbraw/zinc/40/67/06/534406706.db2.gz RBGFDTJVRBOIAX-HZPDHXFCSA-N 0 0 333.432 1.732 10 0 EDAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157464288 534628708 /nfs/dbraw/zinc/62/87/08/534628708.db2.gz VLSVQCQIJMQWBW-QMTHXVAHSA-N 0 0 345.403 1.035 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NC(=O)N1CCC(Cn3cccn3)CC1)CC2 ZINC000158727297 534698874 /nfs/dbraw/zinc/69/88/74/534698874.db2.gz CJLFODJQTUCMMZ-HNNXBMFYSA-N 0 0 343.435 1.220 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC000163834191 534741588 /nfs/dbraw/zinc/74/15/88/534741588.db2.gz ANRPWOZFWGVDRJ-UHFFFAOYSA-N 0 0 349.460 1.910 10 0 EDAERN Nc1n[nH]cc1S(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000158833870 534744328 /nfs/dbraw/zinc/74/43/28/534744328.db2.gz JEUOPGKMCXRCIU-UHFFFAOYSA-N 0 0 328.222 1.488 10 0 EDAERN O=C(Cc1nc(CN2C[C@H](O)C[C@@H]2CO)cs1)Nc1ccccc1 ZINC000179181451 534750994 /nfs/dbraw/zinc/75/09/94/534750994.db2.gz DQTVNVGOHVEIDY-HUUCEWRRSA-N 0 0 347.440 1.252 10 0 EDAERN C[C@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)CCS1 ZINC000188656875 524497834 /nfs/dbraw/zinc/49/78/34/524497834.db2.gz ZPNXDEAPZIXSTJ-ZDUSSCGKSA-N 0 0 333.457 1.832 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(N2CCCC2=O)cc1 ZINC000177548132 534807682 /nfs/dbraw/zinc/80/76/82/534807682.db2.gz JVUDTQIRMLTWAA-AWEZNQCLSA-N 0 0 325.372 1.670 10 0 EDAERN CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCC[C@H](CO)C2)CC1 ZINC000253568232 534870951 /nfs/dbraw/zinc/87/09/51/534870951.db2.gz KYMSBGDIOMHOHE-ZDUSSCGKSA-N 0 0 341.452 1.800 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]12 ZINC000248514607 534895399 /nfs/dbraw/zinc/89/53/99/534895399.db2.gz NQIMGMLFBLHHQW-MRVWCRGKSA-N 0 0 334.420 1.714 10 0 EDAERN C=CC(=O)NCCNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000171779510 526930652 /nfs/dbraw/zinc/93/06/52/526930652.db2.gz WWLMYPPBBZCMJP-MRXNPFEDSA-N 0 0 331.416 1.168 10 0 EDAERN CC(=O)c1c(C)oc(NC(=O)c2ccc3c(c2)CC(=O)N3)c1C(N)=O ZINC000170571051 527172856 /nfs/dbraw/zinc/17/28/56/527172856.db2.gz XTOCZQDLQQTKPB-UHFFFAOYSA-N 0 0 341.323 1.636 10 0 EDAERN CC(C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(Br)cc1N ZINC000165767802 527712545 /nfs/dbraw/zinc/71/25/45/527712545.db2.gz UYKCTCRKEYGTHJ-QMMMGPOBSA-N 0 0 349.250 1.718 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000131267499 528012429 /nfs/dbraw/zinc/01/24/29/528012429.db2.gz AOUJHXYPTPHBAW-UHFFFAOYSA-N 0 0 335.452 1.471 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000155303253 528020387 /nfs/dbraw/zinc/02/03/87/528020387.db2.gz CBKTVFFHHXUXBW-CQSZACIVSA-N 0 0 327.469 1.452 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1 ZINC000171594929 528255554 /nfs/dbraw/zinc/25/55/54/528255554.db2.gz LSKJJGWRTUOCNC-CYBMUJFWSA-N 0 0 335.452 1.220 10 0 EDAERN CCOC(=O)c1coc(-n2cc(I)cn2)n1 ZINC000165817421 528320796 /nfs/dbraw/zinc/32/07/96/528320796.db2.gz QXJURWPEZMYGJY-UHFFFAOYSA-N 0 0 333.085 1.642 10 0 EDAERN CCC[C@H]1NC(=O)[C@@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168883641 528439406 /nfs/dbraw/zinc/43/94/06/528439406.db2.gz VCYBHPWFSVFLJM-BXKDBHETSA-N 0 0 340.221 1.860 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000184204995 528473707 /nfs/dbraw/zinc/47/37/07/528473707.db2.gz PVGVHZMCBJSUBZ-GOSISDBHSA-N 0 0 347.459 1.542 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H]1Cc3cc(F)ccc3O1)CC2 ZINC000172577872 528475548 /nfs/dbraw/zinc/47/55/48/528475548.db2.gz YPSGDMOZWLYBHD-ZFWWWQNUSA-N 0 0 344.390 1.975 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000184372100 528484911 /nfs/dbraw/zinc/48/49/11/528484911.db2.gz GULBUOKUHYYTFH-AWEZNQCLSA-N 0 0 333.388 1.571 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000184278301 528485011 /nfs/dbraw/zinc/48/50/11/528485011.db2.gz PWJOAVQYMQMEBD-INIZCTEOSA-N 0 0 333.432 1.876 10 0 EDAERN CCC(C)(C)NC(=O)Cn1ncc(I)cc1=O ZINC000158572190 528551928 /nfs/dbraw/zinc/55/19/28/528551928.db2.gz CHHYTVRSZDZYHR-UHFFFAOYSA-N 0 0 349.172 1.153 10 0 EDAERN CCN(CCS(C)(=O)=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000154447164 528584101 /nfs/dbraw/zinc/58/41/01/528584101.db2.gz RZGZWISEOKRISC-UONOGXRCSA-N 0 0 326.462 1.619 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)Cc1ccn(-c2ccccc2)n1 ZINC000176508703 528703491 /nfs/dbraw/zinc/70/34/91/528703491.db2.gz UYWFQPYWVRIKNS-QHCPKHFHSA-N 0 0 330.417 1.889 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2nc(COC)cs2)C[C@@H]1C ZINC000174405898 528744980 /nfs/dbraw/zinc/74/49/80/528744980.db2.gz YNZUOGYZAFVUKG-LBPRGKRZSA-N 0 0 342.465 1.864 10 0 EDAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000153774425 528758070 /nfs/dbraw/zinc/75/80/70/528758070.db2.gz UZJAEBWQWQXPDM-RYUDHWBXSA-N 0 0 337.424 1.186 10 0 EDAERN CCOc1cccnc1C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000155019954 528765006 /nfs/dbraw/zinc/76/50/06/528765006.db2.gz GYXLRISNDBHWKW-LLVKDONJSA-N 0 0 331.376 1.483 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2c1cccc2F ZINC000183762829 528806795 /nfs/dbraw/zinc/80/67/95/528806795.db2.gz JVABIJBLPKUURH-OAHLLOKOSA-N 0 0 340.420 1.919 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC ZINC000166897164 529163539 /nfs/dbraw/zinc/16/35/39/529163539.db2.gz AMDCICGIFISUCQ-AWEZNQCLSA-N 0 0 331.416 1.487 10 0 EDAERN CCCN1C[C@H](CNC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)CC1=O ZINC000333670304 534996217 /nfs/dbraw/zinc/99/62/17/534996217.db2.gz CMSHMUJIMFBXMG-LESCRADOSA-N 0 0 337.464 1.844 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000193393278 535316799 /nfs/dbraw/zinc/31/67/99/535316799.db2.gz JQPSLADFFHNBEN-DNVCBOLYSA-N 0 0 331.412 1.807 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)C[C@@H]1CC ZINC000246962053 535600392 /nfs/dbraw/zinc/60/03/92/535600392.db2.gz JTWFWRVQQNBDQX-YESZJQIVSA-N 0 0 342.480 1.530 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2ccccc2OC)C[C@H]1C ZINC000247404775 535604397 /nfs/dbraw/zinc/60/43/97/535604397.db2.gz YYLPFEDDHFXFKD-OAHLLOKOSA-N 0 0 335.448 1.676 10 0 EDAERN CCOC(=O)CC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246737474 535612429 /nfs/dbraw/zinc/61/24/29/535612429.db2.gz GZOSMRZIISRYOB-QWHCGFSZSA-N 0 0 340.445 1.579 10 0 EDAERN CCc1c(C(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000246961278 536015431 /nfs/dbraw/zinc/01/54/31/536015431.db2.gz BRGPPSSXKVCRNE-QWHCGFSZSA-N 0 0 349.475 1.658 10 0 EDAERN CN(C(=O)NCC1CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172457479 536024928 /nfs/dbraw/zinc/02/49/28/536024928.db2.gz LYURPVSWRDEBEQ-OAHLLOKOSA-N 0 0 333.436 1.513 10 0 EDAERN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@H]1CNC(=O)C1 ZINC000194876401 536360274 /nfs/dbraw/zinc/36/02/74/536360274.db2.gz JUMHXRMYZOHAIF-CYBMUJFWSA-N 0 0 344.390 1.743 10 0 EDAERN COC(=O)c1ccc(CCC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177617998 536651485 /nfs/dbraw/zinc/65/14/85/536651485.db2.gz RQZSCSULNBQBHY-CQSZACIVSA-N 0 0 328.372 1.649 10 0 EDAERN COc1cccc(CC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1 ZINC000328750607 537101557 /nfs/dbraw/zinc/10/15/57/537101557.db2.gz MTWAEAPQJGGSOE-CYBMUJFWSA-N 0 0 346.387 1.739 10 0 EDAERN O[C@@]1(c2cn[nH]n2)CCCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000793982068 580863381 /nfs/dbraw/zinc/86/33/81/580863381.db2.gz XCVPUTKHWGCDTK-HNNXBMFYSA-N 0 0 332.314 1.514 10 0 EDAERN CNC(=O)c1ccc(N2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)nn1 ZINC000888102689 591030830 /nfs/dbraw/zinc/03/08/30/591030830.db2.gz GHSRYDSVKQDAET-YPMHNXCESA-N 0 0 330.392 1.143 10 0 EDAERN CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2nc(Br)c[nH]2)C1 ZINC000894325941 591279499 /nfs/dbraw/zinc/27/94/99/591279499.db2.gz FLOVCPGYOVKLIA-BDAKNGLRSA-N 0 0 341.213 1.263 10 0 EDAERN CC(=O)c1cc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)n(C)c1 ZINC000899071508 591672085 /nfs/dbraw/zinc/67/20/85/591672085.db2.gz GMCMQDFJNSXRNT-CQSZACIVSA-N 0 0 327.388 1.784 10 0 EDAERN Cc1ccc([C@@H](O)CNC(=O)c2cn(C)nc2C2CCOCC2)o1 ZINC000818813486 593721393 /nfs/dbraw/zinc/72/13/93/593721393.db2.gz UFDVSQABMAOZQR-AWEZNQCLSA-N 0 0 333.388 1.679 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(Cn2cc(Br)cn2)C1 ZINC000101538724 595166274 /nfs/dbraw/zinc/16/62/74/595166274.db2.gz YGCGOQXYNHBWPQ-LBPRGKRZSA-N 0 0 329.242 1.984 10 0 EDAERN CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000101924282 595263810 /nfs/dbraw/zinc/26/38/10/595263810.db2.gz YABIYIYBYSBLOU-MMQHEFTJSA-N 0 0 326.443 1.450 10 0 EDAERN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)[C@H]1CNC(=O)C1 ZINC000113126960 595624455 /nfs/dbraw/zinc/62/44/55/595624455.db2.gz PKSSGWPMSPWZAR-SECBINFHSA-N 0 0 332.747 1.997 10 0 EDAERN Cc1nc(COC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)oc1C ZINC000115738113 595667799 /nfs/dbraw/zinc/66/77/99/595667799.db2.gz CIRDGYHCTQAEJK-CZUORRHYSA-N 0 0 346.387 1.678 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC000858007968 595684701 /nfs/dbraw/zinc/68/47/01/595684701.db2.gz GWRBWERNTBBWIT-XJKSGUPXSA-N 0 0 339.399 1.966 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1c(C)noc1C)CC2 ZINC000114977816 596189043 /nfs/dbraw/zinc/18/90/43/596189043.db2.gz HFDIEUCEJAPLBG-LBPRGKRZSA-N 0 0 332.408 1.602 10 0 EDAERN CC(=O)NCCCOC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000119005621 596376009 /nfs/dbraw/zinc/37/60/09/596376009.db2.gz SYESBXGXNCBHCF-ZBFHGGJFSA-N 0 0 336.363 1.415 10 0 EDAERN CC[C@H]1CC(=O)N(CN2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000119341257 596520357 /nfs/dbraw/zinc/52/03/57/596520357.db2.gz DCKBBJFGDDZRAL-WMZOPIPTSA-N 0 0 331.460 1.554 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)C(C)C ZINC000124801363 596918895 /nfs/dbraw/zinc/91/88/95/596918895.db2.gz OHWSSTWGQZQXDW-GHMZBOCLSA-N 0 0 339.358 1.462 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@H](NC(=O)OC)C(C)C)CCN1CC(F)F ZINC000125269007 597256447 /nfs/dbraw/zinc/25/64/47/597256447.db2.gz JHZQGKGONYSHDT-DGCLKSJQSA-N 0 0 335.395 1.555 10 0 EDAERN C[C@H](O)c1ccn(CC(=O)Nc2cccc(N3CCCC3=O)c2)n1 ZINC000128731823 598045955 /nfs/dbraw/zinc/04/59/55/598045955.db2.gz KORKXYOCBMQBMD-LBPRGKRZSA-N 0 0 328.372 1.702 10 0 EDAERN CC(=O)N[C@@H]1CCCN(Cn2nc(-c3ccccn3)n(C)c2=S)C1 ZINC000153370819 695654744 /nfs/dbraw/zinc/65/47/44/695654744.db2.gz BJZDWUQSSMXDJV-CYBMUJFWSA-N 0 0 346.460 1.571 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(CCCNC(=O)C(F)(F)F)C2 ZINC000154818856 697210046 /nfs/dbraw/zinc/21/00/46/697210046.db2.gz INVMDAKRAMMWJQ-UHFFFAOYSA-N 0 0 332.370 1.970 10 0 EDAERN C[C@@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000175239137 697708811 /nfs/dbraw/zinc/70/88/11/697708811.db2.gz KQKJCQQSDBASBS-NEPJUHHUSA-N 0 0 329.356 1.553 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)Cn2ncc3cn(C)nc3c2=O)C12CCCC2 ZINC000186090427 701334624 /nfs/dbraw/zinc/33/46/24/701334624.db2.gz LTAJUPKCPIWGPN-HUUCEWRRSA-N 0 0 345.447 1.757 10 0 EDAERN Cn1nccc1CCNC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000185808456 705257772 /nfs/dbraw/zinc/25/77/72/705257772.db2.gz KIEUBXULFRDYDC-QWHCGFSZSA-N 0 0 336.436 1.772 10 0 EDAERN C[C@H](CC(N)=S)NS(=O)(=O)c1ccccc1Br ZINC000050390969 214055369 /nfs/dbraw/zinc/05/53/69/214055369.db2.gz IGKUYGLQQSBASO-SSDOTTSWSA-N 0 0 337.264 1.792 10 0 EDAERN Cn1cc(COc2ccc(S(N)(=O)=O)c(Cl)c2Cl)cn1 ZINC000050540441 214059356 /nfs/dbraw/zinc/05/93/56/214059356.db2.gz KFSFZAXBSYRQBF-UHFFFAOYSA-N 0 0 336.200 1.953 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)N[C@@H](C)COC ZINC000050633113 214061502 /nfs/dbraw/zinc/06/15/02/214061502.db2.gz MRIUONKQNHKNTC-ZETCQYMHSA-N 0 0 338.227 1.199 10 0 EDAERN CCC[C@H](CC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050661370 214064960 /nfs/dbraw/zinc/06/49/60/214064960.db2.gz PEHYPRDXEAQHDJ-JTQLQIEISA-N 0 0 334.463 1.529 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)NCc1nncn1C ZINC000050772155 214069215 /nfs/dbraw/zinc/06/92/15/214069215.db2.gz QUJQDJVAHPGGNN-UHFFFAOYSA-N 0 0 339.197 1.334 10 0 EDAERN CCNc1ccc(Cl)c(C(=O)NC2CCS(=O)(=O)CC2)n1 ZINC000050756355 214069412 /nfs/dbraw/zinc/06/94/12/214069412.db2.gz ZVDIMQKGNPGDPB-UHFFFAOYSA-N 0 0 331.825 1.474 10 0 EDAERN COc1ccccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C)C2=O ZINC000051452239 214094824 /nfs/dbraw/zinc/09/48/24/214094824.db2.gz GQWIDMASFLHIGZ-UHFFFAOYSA-N 0 0 346.364 1.722 10 0 EDAERN NC(=S)c1cc(NS(=O)(=O)N2CCCCCC2)ccc1F ZINC000051637367 214098185 /nfs/dbraw/zinc/09/81/85/214098185.db2.gz ASTPSLDTMSDWIH-UHFFFAOYSA-N 0 0 331.438 1.993 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1 ZINC000173406087 230935849 /nfs/dbraw/zinc/93/58/49/230935849.db2.gz MZKNKPAKQWQWOR-NSHDSACASA-N 0 0 331.463 1.049 10 0 EDAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173694607 231008117 /nfs/dbraw/zinc/00/81/17/231008117.db2.gz LRZBWBZDLMJECV-GFCCVEGCSA-N 0 0 338.371 1.562 10 0 EDAERN C[C@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)NC(C)(C)C ZINC000173631661 230989752 /nfs/dbraw/zinc/98/97/52/230989752.db2.gz RZPZBDJBICJCQW-QWRGUYRKSA-N 0 0 336.440 1.278 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3cccnc3Cl)CCO2)[nH]1 ZINC000173673011 231002151 /nfs/dbraw/zinc/00/21/51/231002151.db2.gz QVTPCLPZHOVEOU-LLVKDONJSA-N 0 0 336.783 1.174 10 0 EDAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173696532 231009473 /nfs/dbraw/zinc/00/94/73/231009473.db2.gz NOFCXGIDFVUMAK-CQSZACIVSA-N 0 0 338.371 1.562 10 0 EDAERN O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000174002064 231095268 /nfs/dbraw/zinc/09/52/68/231095268.db2.gz CVMXKGDWJREWTN-LLVKDONJSA-N 0 0 332.372 1.060 10 0 EDAERN CC[S@@](=O)c1ccccc1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000176284460 529450757 /nfs/dbraw/zinc/45/07/57/529450757.db2.gz VDQUHRSCFXKRGR-JCQPUDPBSA-N 0 0 332.429 1.979 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)n(C)n1 ZINC000190151311 529538185 /nfs/dbraw/zinc/53/81/85/529538185.db2.gz DUTXBIZQACTBTH-CYBMUJFWSA-N 0 0 330.392 1.398 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(F)ccc3F)C2=O)n(C)n1 ZINC000175001982 231364463 /nfs/dbraw/zinc/36/44/63/231364463.db2.gz BQDRRAIOGBTPNG-AWEZNQCLSA-N 0 0 348.353 1.932 10 0 EDAERN O=S(=O)(NCc1nn2cnnc2s1)c1ccc2c(c1)CCC2 ZINC000049735366 214030183 /nfs/dbraw/zinc/03/01/83/214030183.db2.gz DPTKKRBXWXQMCI-UHFFFAOYSA-N 0 0 335.414 1.153 10 0 EDAERN Cc1nnc2sc(CCNS(=O)(=O)c3ccc(F)cc3)nn12 ZINC000049721719 214028895 /nfs/dbraw/zinc/02/88/95/214028895.db2.gz ZOWJFMLGQWYDNU-UHFFFAOYSA-N 0 0 341.393 1.154 10 0 EDAERN CCN1CCN(Cc2ccc(Br)cc2F)C(=O)C1=O ZINC000049600444 214020846 /nfs/dbraw/zinc/02/08/46/214020846.db2.gz PHWPTDMOJQWXCC-UHFFFAOYSA-N 0 0 329.169 1.779 10 0 EDAERN C[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000098075715 219079238 /nfs/dbraw/zinc/07/92/38/219079238.db2.gz SZZIDJAAFZPJOP-TZMCWYRMSA-N 0 0 332.425 1.586 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000181822728 529698715 /nfs/dbraw/zinc/69/87/15/529698715.db2.gz ILVRDJIJVXVAQQ-ROUUACIJSA-N 0 0 349.475 1.598 10 0 EDAERN CNc1ncc(Br)cc1C(=O)NCc1cnc(C)cn1 ZINC000061324031 214660347 /nfs/dbraw/zinc/66/03/47/214660347.db2.gz VPQCDPIHWQNAOH-UHFFFAOYSA-N 0 0 336.193 1.914 10 0 EDAERN CCc1nc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)cs1 ZINC000174602296 529734051 /nfs/dbraw/zinc/73/40/51/529734051.db2.gz FIANSCHDHLIIFL-CYBMUJFWSA-N 0 0 334.449 1.886 10 0 EDAERN CCc1nc(NC(=O)CN2CCC[C@H](n3cncn3)C2)sc1C ZINC000171705825 529742984 /nfs/dbraw/zinc/74/29/84/529742984.db2.gz GFGKFTXKUKOTTM-LBPRGKRZSA-N 0 0 334.449 1.881 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000153090954 529766930 /nfs/dbraw/zinc/76/69/30/529766930.db2.gz KPTQQBHYTLFGOW-LBPRGKRZSA-N 0 0 342.871 1.819 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000152995271 529767291 /nfs/dbraw/zinc/76/72/91/529767291.db2.gz GGJNZSWQBYZFBL-NSHDSACASA-N 0 0 348.838 1.825 10 0 EDAERN CN(CC1(CO)CC1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000186851583 529854178 /nfs/dbraw/zinc/85/41/78/529854178.db2.gz AZKUZKSCRAUYLG-ZDUSSCGKSA-N 0 0 338.429 1.319 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000157740376 529902646 /nfs/dbraw/zinc/90/26/46/529902646.db2.gz JVIDSSOOCQGRBU-AWEZNQCLSA-N 0 0 332.404 1.290 10 0 EDAERN CCCc1nc2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2n1 ZINC000047154803 213833712 /nfs/dbraw/zinc/83/37/12/213833712.db2.gz ARBXHBPPQMMQSF-LCYFTJDESA-N 0 0 329.381 1.577 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000245999785 539597352 /nfs/dbraw/zinc/59/73/52/539597352.db2.gz ILVUVCFVCIMUGC-ZIAGYGMSSA-N 0 0 332.466 1.266 10 0 EDAERN COC(=O)c1ccc2c(c1)nc(N1Cc3cnn(CCO)c3C1)n2C ZINC000067787486 215211981 /nfs/dbraw/zinc/21/19/81/215211981.db2.gz FFOMYNCODKCUKW-UHFFFAOYSA-N 0 0 341.371 1.069 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000103356888 219293614 /nfs/dbraw/zinc/29/36/14/219293614.db2.gz RMGMXABRONZQPJ-SECBINFHSA-N 0 0 334.825 1.811 10 0 EDAERN CCCS(=O)(=O)N1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000041244149 213435023 /nfs/dbraw/zinc/43/50/23/213435023.db2.gz QAYCABXKLPOVJD-UHFFFAOYSA-N 0 0 331.463 1.258 10 0 EDAERN COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)N1CCCC1 ZINC000041225989 213433273 /nfs/dbraw/zinc/43/32/73/213433273.db2.gz AZVHRZVSQXDISR-UHFFFAOYSA-N 0 0 340.401 1.227 10 0 EDAERN CCOC(=O)[C@](C)(C[C@@H](C)SCCS(C)(=O)=O)NC1CC1 ZINC000068643582 215324412 /nfs/dbraw/zinc/32/44/12/215324412.db2.gz WEAOXHMLFHMEEJ-RISCZKNCSA-N 0 0 337.507 1.617 10 0 EDAERN CCOC(=O)[C@](C)(C[C@H](C)SCCS(C)(=O)=O)NC(C)C ZINC000068643569 215324757 /nfs/dbraw/zinc/32/47/57/215324757.db2.gz PCMAIQZSDGGMBX-JSGCOSHPSA-N 0 0 339.523 1.863 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1NC(=O)CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000068689170 215327926 /nfs/dbraw/zinc/32/79/26/215327926.db2.gz CZOXERSIJNFVCU-KNVOCYPGSA-N 0 0 328.155 1.519 10 0 EDAERN CC(C)CCNC(=O)N1CCc2ccc(S(N)(=O)=O)cc2C1 ZINC000040678853 213367625 /nfs/dbraw/zinc/36/76/25/213367625.db2.gz GSERYHBITQGZCU-UHFFFAOYSA-N 0 0 325.434 1.448 10 0 EDAERN COc1cc2cc(CCC(=O)NCC(C)(C)O)c(=O)[nH]c2cc1OC ZINC000040663963 213367224 /nfs/dbraw/zinc/36/72/24/213367224.db2.gz KTTZFQDSIQYBGK-UHFFFAOYSA-N 0 0 348.399 1.365 10 0 EDAERN Cc1ccc(C(=O)N2CCOC[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000040634114 213362746 /nfs/dbraw/zinc/36/27/46/213362746.db2.gz VRZPBBGIYMQZJL-GFCCVEGCSA-N 0 0 326.418 1.106 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000069238114 215372607 /nfs/dbraw/zinc/37/26/07/215372607.db2.gz YPXARNFDKNJNEG-UHFFFAOYSA-N 0 0 335.422 1.650 10 0 EDAERN CNC(SCC(=O)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000040570308 213352607 /nfs/dbraw/zinc/35/26/07/213352607.db2.gz JPKAMXNMHDXZOI-UHFFFAOYSA-N 0 0 347.396 1.084 10 0 EDAERN Cc1cnn(CCNC(=O)c2cnc3sc(C)c(C)n3c2=O)c1 ZINC000180881749 234018949 /nfs/dbraw/zinc/01/89/49/234018949.db2.gz KJQBWERRVKGJGX-UHFFFAOYSA-N 0 0 331.401 1.308 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000155400133 539919405 /nfs/dbraw/zinc/91/94/05/539919405.db2.gz AXMUXGTWDLKUTA-MRXNPFEDSA-N 0 0 341.415 1.335 10 0 EDAERN CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCCC1 ZINC000040197602 213280786 /nfs/dbraw/zinc/28/07/86/213280786.db2.gz SHTABLZKEFDVKC-UHFFFAOYSA-N 0 0 328.416 1.727 10 0 EDAERN COCC(=O)N1CCC2(CC1)CC(=O)c1c(OC)cc(OC)cc1O2 ZINC000039225963 213232631 /nfs/dbraw/zinc/23/26/31/213232631.db2.gz DGKYMHHZKGWSAC-UHFFFAOYSA-N 0 0 349.383 1.677 10 0 EDAERN CC(C)c1cc2c(s1)=N[C@H](C)N(C)C=2SCC(=O)NC1CC1 ZINC000038805682 213226369 /nfs/dbraw/zinc/22/63/69/213226369.db2.gz PJTNEBLSKLXNNU-JTQLQIEISA-N 0 0 337.514 1.860 10 0 EDAERN O=C(Cc1csc(NC(=O)c2cnccn2)n1)N1CCCCC1 ZINC000038740005 213222784 /nfs/dbraw/zinc/22/27/84/213222784.db2.gz WDYBCIJPENJMIF-UHFFFAOYSA-N 0 0 331.401 1.740 10 0 EDAERN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000183440535 235078323 /nfs/dbraw/zinc/07/83/23/235078323.db2.gz LPDKOOFPFPZDBY-CZUORRHYSA-N 0 0 342.399 1.803 10 0 EDAERN Cc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1S(N)(=O)=O ZINC000174852966 540095709 /nfs/dbraw/zinc/09/57/09/540095709.db2.gz KDMRCTWKFMYFGW-AWEZNQCLSA-N 0 0 348.428 1.733 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)Cc2cc[nH]n2)c2cccs2)CCO1 ZINC000176591743 540101411 /nfs/dbraw/zinc/10/14/11/540101411.db2.gz DEUQLHDSNVAVSU-JSGCOSHPSA-N 0 0 334.445 1.592 10 0 EDAERN CNC(=O)[C@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)C(C)C ZINC000183689457 540139961 /nfs/dbraw/zinc/13/99/61/540139961.db2.gz WPGZWSOPTIVMNK-CQSZACIVSA-N 0 0 346.456 1.769 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000183934419 235264499 /nfs/dbraw/zinc/26/44/99/235264499.db2.gz IMIJONYMVJLSKX-NSHDSACASA-N 0 0 344.325 1.487 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1ccc(Br)c2cccnc12 ZINC000184007720 235284551 /nfs/dbraw/zinc/28/45/51/235284551.db2.gz SHWLGSHLJOISSR-VXGBXAGGSA-N 0 0 337.217 1.925 10 0 EDAERN O=C(NC1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1)C1CC1 ZINC000189372502 540164578 /nfs/dbraw/zinc/16/45/78/540164578.db2.gz LLJZUYIYNXZRRP-UHFFFAOYSA-N 0 0 328.347 1.362 10 0 EDAERN CCOC[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(C)C ZINC000189536478 540165336 /nfs/dbraw/zinc/16/53/36/540165336.db2.gz NFMHXHKZAJJOOO-SWLSCSKDSA-N 0 0 332.400 1.848 10 0 EDAERN COc1ccc([C@H]([NH2+]CCN(C)C)C(=O)[O-])cc1Br ZINC000038052482 213197999 /nfs/dbraw/zinc/19/79/99/213197999.db2.gz FXXKVEQPMFNVGT-LBPRGKRZSA-N 0 0 331.210 1.735 10 0 EDAERN COc1ccc(NC(=O)Cn2cc(Br)cn2)c(N)c1 ZINC000038054003 213197928 /nfs/dbraw/zinc/19/79/28/213197928.db2.gz VTORADGRGIWIBR-UHFFFAOYSA-N 0 0 325.166 1.875 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(CC(=O)NC(C3CC3)C3CC3)CC2)n1 ZINC000105864335 219566638 /nfs/dbraw/zinc/56/66/38/219566638.db2.gz FWTNVSBUZCNCCW-GFCCVEGCSA-N 0 0 347.463 1.361 10 0 EDAERN COc1ncccc1CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000045155575 138112285 /nfs/dbraw/zinc/11/22/85/138112285.db2.gz OGAKKWRJXQDJCR-GFCCVEGCSA-N 0 0 328.372 1.917 10 0 EDAERN CCN1CCO[C@H](C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000081482103 138266686 /nfs/dbraw/zinc/26/66/86/138266686.db2.gz OYSIGEZSDRZYLS-YOEHRIQHSA-N 0 0 328.416 1.770 10 0 EDAERN C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1cccc(Br)c1 ZINC000038012383 213188165 /nfs/dbraw/zinc/18/81/65/213188165.db2.gz LZAGGSKDUMZWAK-AXTRIDKLSA-N 0 0 334.235 1.258 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)c1 ZINC000117987021 138312656 /nfs/dbraw/zinc/31/26/56/138312656.db2.gz FKYPDFVELNVAQQ-GOSISDBHSA-N 0 0 342.443 1.506 10 0 EDAERN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC(Nc2cccnn2)CC1 ZINC000105910038 138302465 /nfs/dbraw/zinc/30/24/65/138302465.db2.gz OESVCXUDDBGNAT-DZGCQCFKSA-N 0 0 333.436 1.037 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cc(Br)ccc2F)C1 ZINC000110484256 138307040 /nfs/dbraw/zinc/30/70/40/138307040.db2.gz AKVPKPGUKCSEBR-SNVBAGLBSA-N 0 0 331.185 1.649 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)CC[C@H]3CCCCO3)CC2)no1 ZINC000110945352 138307554 /nfs/dbraw/zinc/30/75/54/138307554.db2.gz HNHUQYCKBASFEK-OAHLLOKOSA-N 0 0 336.436 1.762 10 0 EDAERN COc1ccc(C(=O)[N-]C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116321769 138311729 /nfs/dbraw/zinc/31/17/29/138311729.db2.gz XUEOVJNQUVHKMF-CQSZACIVSA-N 0 0 342.399 1.175 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000105894192 219585746 /nfs/dbraw/zinc/58/57/46/219585746.db2.gz GERFZKMXHHDJFW-TZMCWYRMSA-N 0 0 326.441 1.233 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)[C@@H]1CCCO1 ZINC000133159025 138389350 /nfs/dbraw/zinc/38/93/50/138389350.db2.gz QOUWVRCXPCPSAO-AJNGGQMLSA-N 0 0 336.436 1.443 10 0 EDAERN Nc1ccc(NC(=O)CSc2nc[nH]n2)c(Br)c1 ZINC000037285551 213137755 /nfs/dbraw/zinc/13/77/55/213137755.db2.gz JKMMWCARJTZAAZ-UHFFFAOYSA-N 0 0 328.195 1.880 10 0 EDAERN O=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1CCc2ncnn2C1 ZINC000133851144 138398957 /nfs/dbraw/zinc/39/89/57/138398957.db2.gz DLNRRILPQVKESC-CYBMUJFWSA-N 0 0 329.408 1.404 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cccc3c1OCCO3)CC2 ZINC000134012737 138401083 /nfs/dbraw/zinc/40/10/83/138401083.db2.gz TULUXIOTXRUWIE-GFCCVEGCSA-N 0 0 342.399 1.918 10 0 EDAERN CNC(=O)c1cccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000134094737 138401964 /nfs/dbraw/zinc/40/19/64/138401964.db2.gz RSNYJSQKJBGGQN-LLVKDONJSA-N 0 0 327.388 1.465 10 0 EDAERN O=S1(=O)C[C@H](Oc2ccc(Br)cc2F)[C@H](O)C1 ZINC000037489223 213149572 /nfs/dbraw/zinc/14/95/72/213149572.db2.gz YQISETKVWFQIGB-SCZZXKLOSA-N 0 0 325.155 1.125 10 0 EDAERN CNC(=O)CCCN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179541725 283294534 /nfs/dbraw/zinc/29/45/34/283294534.db2.gz RXUHZBXTPAQLAF-WMLDXEAASA-N 0 0 349.406 1.330 10 0 EDAERN CC(C)C(=O)CNS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000133672286 535372245 /nfs/dbraw/zinc/37/22/45/535372245.db2.gz PNLIJCCMPLGTNZ-UHFFFAOYSA-N 0 0 346.408 1.933 10 0 EDAERN COc1ccc([C@@H]2CN(C(=O)N3CCOCC3)CCN2C)cc1OC ZINC000036133125 213071732 /nfs/dbraw/zinc/07/17/32/213071732.db2.gz AMWZZASEOGYDFI-HNNXBMFYSA-N 0 0 349.431 1.445 10 0 EDAERN CCNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000036101071 213067369 /nfs/dbraw/zinc/06/73/69/213067369.db2.gz HFLRMEFTWFWMGP-UHFFFAOYSA-N 0 0 332.425 1.957 10 0 EDAERN CCS(=O)(=O)NC[C@@H](c1ccccc1OC)N1CCOCC1 ZINC000036092047 213061875 /nfs/dbraw/zinc/06/18/75/213061875.db2.gz LXHIFUGPVLJBQR-AWEZNQCLSA-N 0 0 328.434 1.008 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC(C)CC3)n2)n1 ZINC000070874941 215720507 /nfs/dbraw/zinc/72/05/07/215720507.db2.gz SECXPPFNJGDXMV-HNNXBMFYSA-N 0 0 343.431 1.865 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)/C=C/c3ccc[nH]3)CC2)n1 ZINC000187884628 236325974 /nfs/dbraw/zinc/32/59/74/236325974.db2.gz XIEZEANXYVUAJT-KTRBRXNASA-N 0 0 329.404 1.879 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127280560 138615230 /nfs/dbraw/zinc/61/52/30/138615230.db2.gz WKOJTTOUOIEHHF-CQSZACIVSA-N 0 0 348.451 1.149 10 0 EDAERN C[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000035387716 213024293 /nfs/dbraw/zinc/02/42/93/213024293.db2.gz OUHAUPLPSKCGQI-IUCAKERBSA-N 0 0 329.194 1.689 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000158584362 138633334 /nfs/dbraw/zinc/63/33/34/138633334.db2.gz RQLLXWCJBQDMNK-SECBINFHSA-N 0 0 340.309 1.914 10 0 EDAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172830118 138667749 /nfs/dbraw/zinc/66/77/49/138667749.db2.gz CZQCDNNKSJCMSB-CVEARBPZSA-N 0 0 349.475 1.398 10 0 EDAERN C[C@H](COCc1ccccc1)NS(=O)(=O)CC1CCOCC1 ZINC000173792123 138675040 /nfs/dbraw/zinc/67/50/40/138675040.db2.gz SZGAMULQVWKDKG-CQSZACIVSA-N 0 0 327.446 1.938 10 0 EDAERN O=C(NCCCOC1CCOCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000175528308 138696804 /nfs/dbraw/zinc/69/68/04/138696804.db2.gz WGERJPVRCGKLDR-UHFFFAOYSA-N 0 0 336.436 1.884 10 0 EDAERN O=C(NCc1cc(Cl)ccc1Br)[C@@H]1CNC(=O)C1 ZINC000564331003 306358739 /nfs/dbraw/zinc/35/87/39/306358739.db2.gz ADRTWCXRMZBONS-QMMMGPOBSA-N 0 0 331.597 1.855 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000177137413 138723874 /nfs/dbraw/zinc/72/38/74/138723874.db2.gz MJUQZWWRGZTUHL-LLVKDONJSA-N 0 0 338.791 1.999 10 0 EDAERN O=C(c1ccnc(-n2cncn2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000178309102 138740226 /nfs/dbraw/zinc/74/02/26/138740226.db2.gz DTPREOVQJWOQSF-HNNXBMFYSA-N 0 0 336.355 1.351 10 0 EDAERN COc1ccc(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000181419632 138768137 /nfs/dbraw/zinc/76/81/37/138768137.db2.gz VWQBUGMVEYCTBR-CYBMUJFWSA-N 0 0 344.419 1.619 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3cnn(C)c3C)CCO2)cn1 ZINC000189686994 237144491 /nfs/dbraw/zinc/14/44/91/237144491.db2.gz KILASHPPSCWAPL-OAHLLOKOSA-N 0 0 332.408 1.228 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cc(N(C)C)ccn2)C12CCOCC2 ZINC000184494484 138795400 /nfs/dbraw/zinc/79/54/00/138795400.db2.gz NJELHSWAVWVZHJ-HOTGVXAUSA-N 0 0 333.432 1.852 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)CCCCOC)C1 ZINC000184494921 138795416 /nfs/dbraw/zinc/79/54/16/138795416.db2.gz QKWGKACLZDBMOM-CYBMUJFWSA-N 0 0 330.454 1.234 10 0 EDAERN O=S1(=O)C[C@H](Oc2ccc(Cl)cc2Br)[C@H](O)C1 ZINC000037696081 213163349 /nfs/dbraw/zinc/16/33/49/213163349.db2.gz MMNZXTAKLJRWTJ-SCZZXKLOSA-N 0 0 341.610 1.639 10 0 EDAERN O=C(Cn1cn[nH]c1=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000129609829 223074824 /nfs/dbraw/zinc/07/48/24/223074824.db2.gz XEYSLINIPZGCEC-NSHDSACASA-N 0 0 337.177 1.138 10 0 EDAERN Cc1ccccc1C1(CNC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000186804208 138820694 /nfs/dbraw/zinc/82/06/94/138820694.db2.gz ZNNNXIZKDOVSAE-UHFFFAOYSA-N 0 0 327.428 1.947 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2nnnn2-c2ccccc2)C1 ZINC000189346847 138868795 /nfs/dbraw/zinc/86/87/95/138868795.db2.gz NGRYSSBRMZKVDS-UONOGXRCSA-N 0 0 341.375 1.316 10 0 EDAERN COc1cc(C(=O)NCC(=O)N[C@H]2C[C@@H]2C)ccc1OC(F)F ZINC000076001601 216679537 /nfs/dbraw/zinc/67/95/37/216679537.db2.gz AWSLDGABXKDSBK-WPRPVWTQSA-N 0 0 328.315 1.551 10 0 EDAERN O=C(NC1CN(C(=O)NCCCCOc2ccc(F)cc2)C1)C1CC1 ZINC000190083413 138884910 /nfs/dbraw/zinc/88/49/10/138884910.db2.gz WZAIJRLWCQJVKT-UHFFFAOYSA-N 0 0 349.406 1.905 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCCOC3CCCC3)CCO2)cn1 ZINC000191368912 138912036 /nfs/dbraw/zinc/91/20/36/138912036.db2.gz SEAWPTFNHNQFCI-INIZCTEOSA-N 0 0 336.436 1.945 10 0 EDAERN O=C(CCNc1c(=O)c(=O)c1N1CCCC1)Nc1ccc(Cl)cc1 ZINC000020484021 212137048 /nfs/dbraw/zinc/13/70/48/212137048.db2.gz XJMLKSXGHFNDOS-UHFFFAOYSA-N 0 0 347.802 1.977 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)C(=O)c3c(C)nn(C)c3C)CCO2)cn1 ZINC000191757130 138923282 /nfs/dbraw/zinc/92/32/82/138923282.db2.gz APDIMZUNRDDGPT-AWEZNQCLSA-N 0 0 345.403 1.036 10 0 EDAERN O=S1(=O)CC[C@H](Nc2cccc(I)c2)C1 ZINC000020362448 212122935 /nfs/dbraw/zinc/12/29/35/212122935.db2.gz DAJBGNTXQAWDDZ-JTQLQIEISA-N 0 0 337.182 1.890 10 0 EDAERN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1nnc2n1CCCC2 ZINC000173631678 296143737 /nfs/dbraw/zinc/14/37/37/296143737.db2.gz RZPZBDJBICJCQW-MNOVXSKESA-N 0 0 336.440 1.278 10 0 EDAERN CCN(C(=O)[C@@H](C)NC(=O)c1ccco1)[C@H](C)CS(=O)(=O)CC ZINC000112957655 284198671 /nfs/dbraw/zinc/19/86/71/284198671.db2.gz ZFSYUJRJBVALFV-VXGBXAGGSA-N 0 0 344.433 1.070 10 0 EDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)o1 ZINC000194602210 138995868 /nfs/dbraw/zinc/99/58/68/138995868.db2.gz IYPGEMHDCVKDHO-GFCCVEGCSA-N 0 0 326.418 1.135 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1C(=O)N(C)C(C)C ZINC000194826437 139000891 /nfs/dbraw/zinc/00/08/91/139000891.db2.gz SIMSMJOJIIWZJU-DOMZBBRYSA-N 0 0 331.416 1.939 10 0 EDAERN Cc1noc2ncc(C(=O)N[C@H]3CCc4nnc(C(C)C)n4C3)cc12 ZINC000195266534 139011828 /nfs/dbraw/zinc/01/18/28/139011828.db2.gz NOUJCRYTJJAELU-LBPRGKRZSA-N 0 0 340.387 1.991 10 0 EDAERN Cn1nccc1C1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000195502106 139018244 /nfs/dbraw/zinc/01/82/44/139018244.db2.gz MYSMNGSGAJLPRP-UHFFFAOYSA-N 0 0 341.415 1.337 10 0 EDAERN COc1ccc(Br)cc1[N-]S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049646623 214024193 /nfs/dbraw/zinc/02/41/93/214024193.db2.gz RTOCBUKYGPIXEP-SNVBAGLBSA-N 0 0 349.250 1.951 10 0 EDAERN Cc1nnc(CN2CCN(S(=O)(=O)c3ccccc3C)CC2)o1 ZINC000049704606 214027276 /nfs/dbraw/zinc/02/72/76/214027276.db2.gz MZXXRUFXIMJZKA-UHFFFAOYSA-N 0 0 336.417 1.193 10 0 EDAERN CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000236868291 139033719 /nfs/dbraw/zinc/03/37/19/139033719.db2.gz QHQOUSLMBMMGFD-DLBZAZTESA-N 0 0 335.448 1.312 10 0 EDAERN O=C1[C@H](N2CCCN(c3cccnn3)CC2)CCN1CC(F)(F)F ZINC000111227203 220115713 /nfs/dbraw/zinc/11/57/13/220115713.db2.gz HCXMDSGMZRPVDS-GFCCVEGCSA-N 0 0 343.353 1.152 10 0 EDAERN COc1ccc(CN(CCO)Cc2nnc(C(C)C)n2C)c(OC)c1 ZINC000111322024 220137963 /nfs/dbraw/zinc/13/79/63/220137963.db2.gz LNOMAVAXRDZDMD-UHFFFAOYSA-N 0 0 348.447 1.950 10 0 EDAERN O=C(NCc1ccc2c(c1)OCO2)N1CCN(Cc2ccon2)CC1 ZINC000080598064 217317141 /nfs/dbraw/zinc/31/71/41/217317141.db2.gz RCEJJMBQKHJHKX-UHFFFAOYSA-N 0 0 344.371 1.431 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCCn3cccn3)CCO2)n1 ZINC000111813527 220196147 /nfs/dbraw/zinc/19/61/47/220196147.db2.gz CJBZTEUSKIZVTH-INIZCTEOSA-N 0 0 346.435 1.197 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000111859178 220211660 /nfs/dbraw/zinc/21/16/60/220211660.db2.gz ZLURZHBMEUJCLZ-QGZVFWFLSA-N 0 0 347.463 1.797 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC000111859179 220211193 /nfs/dbraw/zinc/21/11/93/220211193.db2.gz ZLURZHBMEUJCLZ-KRWDZBQOSA-N 0 0 347.463 1.797 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000112004378 220229387 /nfs/dbraw/zinc/22/93/87/220229387.db2.gz RDTFOXLBWVIYEN-QMTHXVAHSA-N 0 0 329.393 1.917 10 0 EDAERN COC(=O)c1cccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000112061854 220236388 /nfs/dbraw/zinc/23/63/88/220236388.db2.gz RQRLJRBQBCWENR-INIZCTEOSA-N 0 0 343.383 1.519 10 0 EDAERN CC(C)c1noc(CCCNc2cc(N3CCC[C@@H]3CO)ncn2)n1 ZINC000112077035 220239751 /nfs/dbraw/zinc/23/97/51/220239751.db2.gz BJONUYNYCIIYGZ-CYBMUJFWSA-N 0 0 346.435 1.989 10 0 EDAERN C[C@H](CNC(=O)N[C@H](C)C(=O)Nc1ccccc1)N1CCOCC1 ZINC000112106915 220244190 /nfs/dbraw/zinc/24/41/90/220244190.db2.gz CIKAERLWKQUQIB-ZIAGYGMSSA-N 0 0 334.420 1.034 10 0 EDAERN O=S(=O)(c1cc(F)ccc1NN1CCOCC1)C(F)(F)F ZINC000148496939 223725267 /nfs/dbraw/zinc/72/52/67/223725267.db2.gz NVMZEUCNQGDPFX-UHFFFAOYSA-N 0 0 328.287 1.778 10 0 EDAERN O=C(N[C@@H]1CCCC[C@H]1CO)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000151070127 223776392 /nfs/dbraw/zinc/77/63/92/223776392.db2.gz OHCWAXDZWYPQNG-JKSUJKDBSA-N 0 0 343.427 1.832 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000083750362 217554796 /nfs/dbraw/zinc/55/47/96/217554796.db2.gz MTKWNAYAYKVBHL-UONOGXRCSA-N 0 0 333.367 1.593 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(C(N)=O)cn1C ZINC000246167084 139097469 /nfs/dbraw/zinc/09/74/69/139097469.db2.gz KHESSTMNSUBAOK-JKOKRWQUSA-N 0 0 333.388 1.070 10 0 EDAERN O=C(CCOC[C@H]1CCCO1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000246330997 139104422 /nfs/dbraw/zinc/10/44/22/139104422.db2.gz ICRJVRNTLVOVTL-HUUCEWRRSA-N 0 0 334.420 1.147 10 0 EDAERN C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCS2)C[C@@H]1N1CCOCC1 ZINC000246537720 139112122 /nfs/dbraw/zinc/11/21/22/139112122.db2.gz JPRSHIJGMZSNEY-IJEWVQPXSA-N 0 0 327.494 1.634 10 0 EDAERN Cn1cc(N2CC[C@H](N3CC[C@@H](Oc4cccnc4)C3)C2=O)cn1 ZINC000246599547 139114497 /nfs/dbraw/zinc/11/44/97/139114497.db2.gz IXQMYHNJLLCCJU-CVEARBPZSA-N 0 0 327.388 1.074 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1c(C)n[nH]c1C ZINC000246828285 139123402 /nfs/dbraw/zinc/12/34/02/139123402.db2.gz XCEYRPGJNMEJJD-MCIONIFRSA-N 0 0 334.420 1.771 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000246798235 139121962 /nfs/dbraw/zinc/12/19/62/139121962.db2.gz RBCMIKFEEXWRQQ-RYUDHWBXSA-N 0 0 339.823 1.192 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2cccc(C)c2)C[C@H]1C ZINC000246962945 139128871 /nfs/dbraw/zinc/12/88/71/139128871.db2.gz DMBRBOGKWRPRNT-MRXNPFEDSA-N 0 0 340.489 1.867 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccccc1 ZINC000088280818 217744543 /nfs/dbraw/zinc/74/45/43/217744543.db2.gz QMTCTGOAVOUUDC-ZDUSSCGKSA-N 0 0 327.388 1.222 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3ccccc3C)CCO2)[nH]1 ZINC000247207766 139140590 /nfs/dbraw/zinc/14/05/90/139140590.db2.gz UVWQELOVPOKFDU-SWLSCSKDSA-N 0 0 329.404 1.822 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@H]1C ZINC000247229760 139141498 /nfs/dbraw/zinc/14/14/98/139141498.db2.gz RDRVQMIWHGKHIW-RCCFBDPRSA-N 0 0 347.503 1.947 10 0 EDAERN CCCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000012023097 211279309 /nfs/dbraw/zinc/27/93/09/211279309.db2.gz SCWHOMXCKCLHOS-UHFFFAOYSA-N 0 0 330.793 1.546 10 0 EDAERN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091781710 218065232 /nfs/dbraw/zinc/06/52/32/218065232.db2.gz YTXLJPKUSHNNAE-RNCFNFMXSA-N 0 0 345.226 1.885 10 0 EDAERN C[C@@H](CC(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1C(F)(F)F ZINC000091783674 218065910 /nfs/dbraw/zinc/06/59/10/218065910.db2.gz CPHGXJFNVPGHJB-GXFFZTMASA-N 0 0 344.333 1.912 10 0 EDAERN C[C@@H]1CCCN1S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248713344 139172638 /nfs/dbraw/zinc/17/26/38/139172638.db2.gz NELSTPFJCFQHJX-KGLIPLIRSA-N 0 0 339.465 1.106 10 0 EDAERN CNc1nnc(CC(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)s1 ZINC000248720745 139173101 /nfs/dbraw/zinc/17/31/01/139173101.db2.gz HYGNPVLPPYLVGU-VWYCJHECSA-N 0 0 338.433 1.455 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000248759212 139174546 /nfs/dbraw/zinc/17/45/46/139174546.db2.gz VTCVJSBGYGUXSB-VYDXJSESSA-N 0 0 336.432 1.773 10 0 EDAERN NC(=O)[C@H]1COCCN1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000092421242 218140489 /nfs/dbraw/zinc/14/04/89/218140489.db2.gz TWEONPXIHKDOFL-QGZVFWFLSA-N 0 0 326.400 1.047 10 0 EDAERN CC[C@@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)Nc1ccccc1 ZINC000009696641 211115912 /nfs/dbraw/zinc/11/59/12/211115912.db2.gz JRARFUGHEXFUEV-OCCSQVGLSA-N 0 0 349.456 1.916 10 0 EDAERN O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCN1c1ccc(Cl)c(Cl)c1 ZINC000249350766 139191529 /nfs/dbraw/zinc/19/15/29/139191529.db2.gz PQBTYQZILFAKCD-UHIISALHSA-N 0 0 345.226 1.526 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CS(=O)(=O)c1cnccn1 ZINC000095085987 218277519 /nfs/dbraw/zinc/27/75/19/218277519.db2.gz OVFSAPTVPQXNMP-LLVKDONJSA-N 0 0 327.406 1.650 10 0 EDAERN C[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)O1 ZINC000151981076 223893423 /nfs/dbraw/zinc/89/34/23/223893423.db2.gz IGJIQMOGRBIXPP-SMDDNHRTSA-N 0 0 338.354 1.817 10 0 EDAERN CN(C(=O)NCc1ccnn1C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152262143 223935304 /nfs/dbraw/zinc/93/53/04/223935304.db2.gz IQFXOPSZBBYPBK-AWEZNQCLSA-N 0 0 329.408 1.021 10 0 EDAERN Cc1noc(C)c1[C@H](C)CNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000152364337 223951830 /nfs/dbraw/zinc/95/18/30/223951830.db2.gz ZFIGUKCIXQRCKM-ABAIWWIYSA-N 0 0 344.415 1.791 10 0 EDAERN COCCn1ccc(NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000153358962 224093138 /nfs/dbraw/zinc/09/31/38/224093138.db2.gz MLXIGRKMQPWCSK-GFCCVEGCSA-N 0 0 347.423 1.381 10 0 EDAERN Cc1ccccc1-c1cc(NC(=O)NC[C@H]2CN(C)CCO2)n(C)n1 ZINC000153661843 224138114 /nfs/dbraw/zinc/13/81/14/224138114.db2.gz ZTGPARSXJJHJSY-AWEZNQCLSA-N 0 0 343.431 1.848 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000167309517 533087350 /nfs/dbraw/zinc/08/73/50/533087350.db2.gz NOLMHHCWLAXFHD-GZMMTYOYSA-N 0 0 328.210 1.729 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(N2CCCC2=O)cc1 ZINC000112653945 220365412 /nfs/dbraw/zinc/36/54/12/220365412.db2.gz LXTDIPSWUYGUAA-CYBMUJFWSA-N 0 0 325.372 1.150 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCc4ncnn4C3)cn2)n1 ZINC000112655064 220365448 /nfs/dbraw/zinc/36/54/48/220365448.db2.gz DRNDFBCPRTWIME-CQSZACIVSA-N 0 0 337.387 1.220 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112741842 220392474 /nfs/dbraw/zinc/39/24/74/220392474.db2.gz FNZAHSGZLMOWJX-AWEZNQCLSA-N 0 0 328.376 1.051 10 0 EDAERN O=C(NCc1ccc(OCC2CC2)nc1)N[C@H]1CCc2ncnn2C1 ZINC000112747230 220395387 /nfs/dbraw/zinc/39/53/87/220395387.db2.gz LHDYTBNTHUCJIU-AWEZNQCLSA-N 0 0 342.403 1.276 10 0 EDAERN COCCN(CC(F)F)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000112891705 220414298 /nfs/dbraw/zinc/41/42/98/220414298.db2.gz HQUDFXLEWJGQHB-LLVKDONJSA-N 0 0 329.347 1.937 10 0 EDAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164726978 533170906 /nfs/dbraw/zinc/17/09/06/533170906.db2.gz RXLLNRSKBAUBFE-SECBINFHSA-N 0 0 334.825 1.660 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CCCn2ncnc21)C(=O)NCc1ccccc1 ZINC000177311459 533211707 /nfs/dbraw/zinc/21/17/07/533211707.db2.gz SJPVSYJTRXHPAY-OCCSQVGLSA-N 0 0 342.403 1.117 10 0 EDAERN C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000116933891 221012642 /nfs/dbraw/zinc/01/26/42/221012642.db2.gz PFQINDXOOCMDCQ-GXFFZTMASA-N 0 0 345.852 1.734 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000117279011 221041613 /nfs/dbraw/zinc/04/16/13/221041613.db2.gz IKJRCZWQPNDGAP-AWEZNQCLSA-N 0 0 343.427 1.711 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(-c3ncon3)cc2)C[C@@H]1C ZINC000117283863 221044051 /nfs/dbraw/zinc/04/40/51/221044051.db2.gz RYPMJTCWCOPBRK-AWEZNQCLSA-N 0 0 344.415 1.919 10 0 EDAERN COCCN1CCN(C(=O)c2cnc(-c3ccccn3)s2)C[C@@H]1C ZINC000117295241 221047611 /nfs/dbraw/zinc/04/76/11/221047611.db2.gz WKADHAGEENNKNL-ZDUSSCGKSA-N 0 0 346.456 1.998 10 0 EDAERN COCCN1CCN(C(=O)CCCNC(=O)c2ccccc2)C[C@@H]1C ZINC000117293931 221047735 /nfs/dbraw/zinc/04/77/35/221047735.db2.gz QDZKPQPAYFCHLU-INIZCTEOSA-N 0 0 347.459 1.376 10 0 EDAERN CCc1ccc(N2C[C@@H](C(=O)NCCn3cc(C)cn3)CC2=O)cc1 ZINC000117812675 221091531 /nfs/dbraw/zinc/09/15/31/221091531.db2.gz IWJFSFQPXUSSJW-INIZCTEOSA-N 0 0 340.427 1.923 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1 ZINC000117818620 221093196 /nfs/dbraw/zinc/09/31/96/221093196.db2.gz OUNLIJCHERNULU-UHFFFAOYSA-N 0 0 335.429 1.804 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)NCCn2cc(C)cn2)cc1 ZINC000118058324 221111109 /nfs/dbraw/zinc/11/11/09/221111109.db2.gz DFPZWOHYEUVAQP-UHFFFAOYSA-N 0 0 329.404 1.441 10 0 EDAERN CCS(=O)(=O)CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000118396078 221146106 /nfs/dbraw/zinc/14/61/06/221146106.db2.gz CWZZWVQBANIUFW-CYBMUJFWSA-N 0 0 326.466 1.576 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](CC)c3ccncc3)CCO2)[nH]1 ZINC000119047609 221230882 /nfs/dbraw/zinc/23/08/82/221230882.db2.gz YTYRYFARNWDHPN-ZIAGYGMSSA-N 0 0 344.419 1.996 10 0 EDAERN Cn1nccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155218713 224379028 /nfs/dbraw/zinc/37/90/28/224379028.db2.gz ZTDFMOXYQCULQL-NSHDSACASA-N 0 0 340.305 1.648 10 0 EDAERN COCCCCCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152598782 533230168 /nfs/dbraw/zinc/23/01/68/533230168.db2.gz JANNAGIUPVEUMV-OAHLLOKOSA-N 0 0 335.452 1.904 10 0 EDAERN C[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccc2ccccc2c1 ZINC000132869854 533275531 /nfs/dbraw/zinc/27/55/31/533275531.db2.gz FXNDREIOXKSYKN-BEFAXECRSA-N 0 0 342.439 1.753 10 0 EDAERN C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)C(=O)N1CCOCC1 ZINC000130137593 533277458 /nfs/dbraw/zinc/27/74/58/533277458.db2.gz RPDFZWPSOGBIFO-MRVPVSSYSA-N 0 0 332.187 1.366 10 0 EDAERN COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)SC[C@@H](O)CO ZINC000181124409 533298004 /nfs/dbraw/zinc/29/80/04/533298004.db2.gz IJBBXCUOOLZNSD-RYUDHWBXSA-N 0 0 338.347 1.876 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171704337 533397232 /nfs/dbraw/zinc/39/72/32/533397232.db2.gz ZSHIZXLUYSVZFI-CQSZACIVSA-N 0 0 329.404 1.871 10 0 EDAERN COC(=O)[C@H]1CN(C(=O)c2cccc(N)c2Br)C[C@@H]1C ZINC000158989206 533472161 /nfs/dbraw/zinc/47/21/61/533472161.db2.gz FQXCEEVZLRMQBZ-WPRPVWTQSA-N 0 0 341.205 1.912 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N)C1CCC1 ZINC000138105168 533481620 /nfs/dbraw/zinc/48/16/20/533481620.db2.gz RJBVSGNBQAFKQF-SECBINFHSA-N 0 0 332.447 1.139 10 0 EDAERN C[C@@H](Nc1ncncc1I)C(=O)NC(C)(C)C ZINC000167898996 533568801 /nfs/dbraw/zinc/56/88/01/533568801.db2.gz XCAICULRHWYLRW-SSDOTTSWSA-N 0 0 348.188 1.796 10 0 EDAERN O=S1(=O)CC[C@H]2CN(Cc3noc(Cc4ccccc4)n3)C[C@H]21 ZINC000329160754 140697825 /nfs/dbraw/zinc/69/78/25/140697825.db2.gz FJLBAQAHGJJYHD-UONOGXRCSA-N 0 0 333.413 1.279 10 0 EDAERN O=C(c1cccc2c1OCC(=O)N2)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329346565 140710668 /nfs/dbraw/zinc/71/06/68/140710668.db2.gz CFPGNJLJBXKVAB-KBPBESRZSA-N 0 0 332.356 1.687 10 0 EDAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333044675 141254761 /nfs/dbraw/zinc/25/47/61/141254761.db2.gz KEBGDINZDHVSKS-OWCLPIDISA-N 0 0 349.475 1.541 10 0 EDAERN Cn1c(=O)n2c(c1C(=O)NCc1nc3c(s1)CCCC3)CCCC2 ZINC000333175911 141276012 /nfs/dbraw/zinc/27/60/12/141276012.db2.gz LLIXNHZUDINUIQ-UHFFFAOYSA-N 0 0 346.456 1.788 10 0 EDAERN O=C(Cn1ccc2ncncc2c1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000333352892 141304106 /nfs/dbraw/zinc/30/41/06/141304106.db2.gz WBEMZGLHEITKAV-UHFFFAOYSA-N 0 0 338.411 1.877 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000192958539 148958061 /nfs/dbraw/zinc/95/80/61/148958061.db2.gz VDWQPWADTWSASD-NSHDSACASA-N 0 0 347.806 1.732 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cncc(Cl)n2)C12CCOCC2 ZINC000192383331 286381854 /nfs/dbraw/zinc/38/18/54/286381854.db2.gz YYNMKQSDLPZHQH-NWDGAFQWSA-N 0 0 325.796 1.834 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)Nc2c(C)ccn(C)c2=O)C12CCOCC2 ZINC000184486704 286532887 /nfs/dbraw/zinc/53/28/87/286532887.db2.gz BBVYKCFHDRUKNN-KBPBESRZSA-N 0 0 349.431 1.789 10 0 EDAERN CSC1(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CCC1 ZINC000195122870 286654907 /nfs/dbraw/zinc/65/49/07/286654907.db2.gz CLTMXAZPHHTADW-ZIAGYGMSSA-N 0 0 327.494 1.634 10 0 EDAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333435927 161660489 /nfs/dbraw/zinc/66/04/89/161660489.db2.gz KQTIUDWFXHWESY-FMKPAKJESA-N 0 0 347.463 1.914 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000119522750 296855289 /nfs/dbraw/zinc/85/52/89/296855289.db2.gz VMDUXDYLRHFJGG-CHWSQXEVSA-N 0 0 340.445 1.915 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C[C@H]1C ZINC000181832181 533678514 /nfs/dbraw/zinc/67/85/14/533678514.db2.gz AHLFDAXPYXGPRP-CHWSQXEVSA-N 0 0 345.403 1.655 10 0 EDAERN C[C@@H](CNC(=O)NCc1ccccc1-n1cccn1)N1CCOCC1 ZINC000067734065 287246771 /nfs/dbraw/zinc/24/67/71/287246771.db2.gz JNJMIUHQLFZWCM-HNNXBMFYSA-N 0 0 343.431 1.392 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 ZINC000079296888 287300043 /nfs/dbraw/zinc/30/00/43/287300043.db2.gz RDYYLXRNHPUYNX-HNNXBMFYSA-N 0 0 342.399 1.796 10 0 EDAERN CNC(=O)CC1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000080522796 287307735 /nfs/dbraw/zinc/30/77/35/287307735.db2.gz GMUSEFDXCDXMAZ-CYBMUJFWSA-N 0 0 346.431 1.571 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cnc2sccn2c1=O ZINC000081451444 287312972 /nfs/dbraw/zinc/31/29/72/287312972.db2.gz POCJBESHBNJJPY-SECBINFHSA-N 0 0 337.401 1.558 10 0 EDAERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1N ZINC000157909464 224912116 /nfs/dbraw/zinc/91/21/16/224912116.db2.gz GRUHOLMQGDQDEU-LDYMZIIASA-N 0 0 349.250 1.829 10 0 EDAERN COCCn1c(-c2ccc(F)cc2Cl)nnc1S(N)(=O)=O ZINC000158283089 224983947 /nfs/dbraw/zinc/98/39/47/224983947.db2.gz OKMAIFYTHTXKFB-UHFFFAOYSA-N 0 0 334.760 1.031 10 0 EDAERN C[S@](=O)CCn1c(=O)[nH]c(Cl)c(-c2ccccc2F)c1=O ZINC000159676473 225257921 /nfs/dbraw/zinc/25/79/21/225257921.db2.gz PHUUBLMDPNMPBK-OAQYLSRUSA-N 0 0 330.768 1.375 10 0 EDAERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(Br)cc1S(N)(=O)=O ZINC000164108208 226044436 /nfs/dbraw/zinc/04/44/36/226044436.db2.gz ORUGCUFOSXJJQY-POYBYMJQSA-N 0 0 347.234 1.999 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@H](C)c2nncn2C)cc(N)c1Cl ZINC000164749619 226096098 /nfs/dbraw/zinc/09/60/98/226096098.db2.gz ABVKZHRLSUKHPB-MRVPVSSYSA-N 0 0 329.813 1.399 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000167119726 226180497 /nfs/dbraw/zinc/18/04/97/226180497.db2.gz LXZUYSMNKJVBFK-VXGBXAGGSA-N 0 0 335.491 1.010 10 0 EDAERN Nc1ccc(Br)cc1[S@](=O)CCN1CCOCC1 ZINC000167101362 226181156 /nfs/dbraw/zinc/18/11/56/226181156.db2.gz HTRGTDGOZYVIMX-SFHVURJKSA-N 0 0 333.251 1.471 10 0 EDAERN C[C@H](C(=O)N(C)C)S(=O)(=O)c1cc(Br)ccc1N ZINC000167141311 226181200 /nfs/dbraw/zinc/18/12/00/226181200.db2.gz FYBHEIOIRCHAGR-SSDOTTSWSA-N 0 0 335.223 1.282 10 0 EDAERN [NH3+]C[C@@H]1CCCC[C@H]1Oc1nc[n-]c(=O)c1I ZINC000165294475 226119853 /nfs/dbraw/zinc/11/98/53/226119853.db2.gz UGMHGBWCTSZACR-JGVFFNPUSA-N 0 0 349.172 1.271 10 0 EDAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(N)cc(Br)c1 ZINC000165633537 226132156 /nfs/dbraw/zinc/13/21/56/226132156.db2.gz LHXBPLOITJZBHM-RKDXNWHRSA-N 0 0 340.221 1.757 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N[C@H](C)[C@H]1CCOC1 ZINC000166236634 226153291 /nfs/dbraw/zinc/15/32/91/226153291.db2.gz UTQYGUJAAWBARB-PWSUYJOCSA-N 0 0 328.459 1.333 10 0 EDAERN C[C@H]1C(=O)NCC(=O)N1Cc1cc(Br)cc2c1OCC2 ZINC000167855090 226199671 /nfs/dbraw/zinc/19/96/71/226199671.db2.gz LKLSYBJMSFRAJI-QMMMGPOBSA-N 0 0 339.189 1.231 10 0 EDAERN C[C@H](C[S@@](C)=O)NS(=O)(=O)CCSc1ccc(N)cc1 ZINC000168685533 226220834 /nfs/dbraw/zinc/22/08/34/226220834.db2.gz WRGGFRGMHQQXBK-DGIBIBHMSA-N 0 0 336.504 1.047 10 0 EDAERN C[C@@]1(C2CC2)NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168907829 226226312 /nfs/dbraw/zinc/22/63/12/226226312.db2.gz CAANCNNTZVTFHQ-AWEZNQCLSA-N 0 0 338.205 1.471 10 0 EDAERN O=S1(=O)CC[C@@H]([C@H](CO)Cc2ccc(Br)cn2)C1 ZINC000168952924 226228607 /nfs/dbraw/zinc/22/86/07/226228607.db2.gz LWVOKUBAXMVUDO-ZJUUUORDSA-N 0 0 334.235 1.430 10 0 EDAERN Cc1nc(Cl)sc1S(=O)(=O)NC1CCS(=O)CC1 ZINC000169019673 226229735 /nfs/dbraw/zinc/22/97/35/226229735.db2.gz TVHRSQITBDUFSB-UHFFFAOYSA-N 0 0 328.868 1.294 10 0 EDAERN Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(=O)[nH]1 ZINC000170574039 226628390 /nfs/dbraw/zinc/62/83/90/226628390.db2.gz CYGLLDYXXLBHRK-JTQLQIEISA-N 0 0 346.774 1.723 10 0 EDAERN CN(C[C@@H]1CCOC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000120835341 221687120 /nfs/dbraw/zinc/68/71/20/221687120.db2.gz HUWTUVGJDWSXAA-YLQAJVPDSA-N 0 0 334.391 1.840 10 0 EDAERN CCOc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120933073 221713089 /nfs/dbraw/zinc/71/30/89/221713089.db2.gz ASGCSIMBWBKUEA-NSHDSACASA-N 0 0 326.780 1.661 10 0 EDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]1CO ZINC000121111817 221759710 /nfs/dbraw/zinc/75/97/10/221759710.db2.gz GCIPJVWTMPYMTK-SECBINFHSA-N 0 0 345.168 1.510 10 0 EDAERN Cc1cccc(Cn2nccc2NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000121242572 221795342 /nfs/dbraw/zinc/79/53/42/221795342.db2.gz QROKVBLXMMXCRM-OAHLLOKOSA-N 0 0 342.399 1.162 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(F)c(C)cc2F)C[C@H]1C ZINC000122266990 222049257 /nfs/dbraw/zinc/04/92/57/222049257.db2.gz SAHAJKYPTRFFEL-GFCCVEGCSA-N 0 0 348.415 1.614 10 0 EDAERN COc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000123241764 222241535 /nfs/dbraw/zinc/24/15/35/222241535.db2.gz RNJOPJLEDAXUMO-UGSOOPFHSA-N 0 0 332.400 1.787 10 0 EDAERN C[C@H]1CCCN(C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000123297641 222252032 /nfs/dbraw/zinc/25/20/32/222252032.db2.gz WOVOPWAQSPXVMR-HNNXBMFYSA-N 0 0 332.452 1.040 10 0 EDAERN CC(C)[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)N1CCCC1=O ZINC000123341689 222259940 /nfs/dbraw/zinc/25/99/40/222259940.db2.gz XAJZENCVAQOGLN-RDJZCZTQSA-N 0 0 331.416 1.708 10 0 EDAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123360950 222264195 /nfs/dbraw/zinc/26/41/95/222264195.db2.gz RRRDQTIODPWNJW-WMLDXEAASA-N 0 0 343.427 1.852 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171739798 227259635 /nfs/dbraw/zinc/25/96/35/227259635.db2.gz MOTWRXQZKJUEAU-MNOVXSKESA-N 0 0 332.372 1.124 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCNC(=O)c3ccccc3)C2)cn1 ZINC000172112451 227474261 /nfs/dbraw/zinc/47/42/61/227474261.db2.gz NRFCOTUUSSDDGQ-HNNXBMFYSA-N 0 0 341.415 1.349 10 0 EDAERN COc1cc(C)c(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1OC ZINC000154091359 287637849 /nfs/dbraw/zinc/63/78/49/287637849.db2.gz PORNRNPQCHGGQT-CQSZACIVSA-N 0 0 345.399 1.750 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2F)s1 ZINC000180266445 267635791 /nfs/dbraw/zinc/63/57/91/267635791.db2.gz FYGDSGWYWGRXDU-LLVKDONJSA-N 0 0 335.360 1.276 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCCc2ccccn2)C12CCOCC2 ZINC000184706147 267685155 /nfs/dbraw/zinc/68/51/55/267685155.db2.gz CQOCQFOHGNKPFO-CVEARBPZSA-N 0 0 333.432 1.898 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCCCSC)C1 ZINC000192381089 267824341 /nfs/dbraw/zinc/82/43/41/267824341.db2.gz AATIVRMXOWIHJN-NWDGAFQWSA-N 0 0 328.438 1.993 10 0 EDAERN O=C(CSCc1cccnc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111075182 272924497 /nfs/dbraw/zinc/92/44/97/272924497.db2.gz WZDQZJPPICUTPR-OAHLLOKOSA-N 0 0 332.429 1.439 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)C(C)C ZINC000246185939 287731202 /nfs/dbraw/zinc/73/12/02/287731202.db2.gz JZJHBXCJEPTODZ-AEGPPILISA-N 0 0 346.431 1.250 10 0 EDAERN C[C@H](N[C@H](CO)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000183626052 274524604 /nfs/dbraw/zinc/52/46/04/274524604.db2.gz XURCXVVLLNJUTE-XJKSGUPXSA-N 0 0 339.395 1.683 10 0 EDAERN CC(C)(CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C(N)=O ZINC000137087548 277301443 /nfs/dbraw/zinc/30/14/43/277301443.db2.gz IOTDULMIJOZRHL-LLVKDONJSA-N 0 0 331.338 1.971 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000113793682 277345095 /nfs/dbraw/zinc/34/50/95/277345095.db2.gz UNJQKYUFWFZVBT-HNNXBMFYSA-N 0 0 341.367 1.609 10 0 EDAERN COc1ccccc1N1CC[C@H](N2CC[C@H](N3CCOCC3)C2)C1=O ZINC000151727808 278055076 /nfs/dbraw/zinc/05/50/76/278055076.db2.gz BYBFORQPUDYVIS-RDJZCZTQSA-N 0 0 345.443 1.207 10 0 EDAERN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000121191348 279029351 /nfs/dbraw/zinc/02/93/51/279029351.db2.gz TWLCQMVCLAQBLQ-CQSZACIVSA-N 0 0 342.399 1.411 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000192143563 279060345 /nfs/dbraw/zinc/06/03/45/279060345.db2.gz XMKAEUFNPXDTSH-SFHVURJKSA-N 0 0 347.459 1.687 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C[C@@]12CCCO2 ZINC000333616404 280047830 /nfs/dbraw/zinc/04/78/30/280047830.db2.gz OXKJXSAHSUDAQE-XUWXXGDYSA-N 0 0 337.464 1.985 10 0 EDAERN O=C([C@H]1COc2ccccc2O1)N1CCN[C@@H](c2cccnc2)C1 ZINC000328658666 280146981 /nfs/dbraw/zinc/14/69/81/280146981.db2.gz RLWWWSHLPMHDGK-RHSMWYFYSA-N 0 0 325.368 1.395 10 0 EDAERN O=C1N[C@@H](c2cc(Cl)ccc2Br)N2CCOC[C@@H]12 ZINC000093883108 280296898 /nfs/dbraw/zinc/29/68/98/280296898.db2.gz UORMVDSEEISRMM-WDEREUQCSA-N 0 0 331.597 1.932 10 0 EDAERN CC1(C)CC(=O)c2cc(C(=O)N[C@H]3CCCC[C@H]3O)c(=O)[nH]c2C1 ZINC000130702475 280898673 /nfs/dbraw/zinc/89/86/73/280898673.db2.gz DXJXUGRAEUQEEL-GXTWGEPZSA-N 0 0 332.400 1.563 10 0 EDAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000185154527 288312570 /nfs/dbraw/zinc/31/25/70/288312570.db2.gz BXIYZLOHZDXVEB-NWDGAFQWSA-N 0 0 342.417 1.534 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000077365165 288378650 /nfs/dbraw/zinc/37/86/50/288378650.db2.gz HVKXCSPQYFHWOB-VBQJREDUSA-N 0 0 336.407 1.835 10 0 EDAERN CN(C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000122109376 288853866 /nfs/dbraw/zinc/85/38/66/288853866.db2.gz FXVHVAGNZDIMSF-HBNTYKKESA-N 0 0 342.383 1.936 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)ccc1Br ZINC000180270850 295158382 /nfs/dbraw/zinc/15/83/82/295158382.db2.gz BDMCRZGUYWOYIO-SNVBAGLBSA-N 0 0 347.596 1.429 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1)C1CCC1 ZINC000188908297 295627530 /nfs/dbraw/zinc/62/75/30/295627530.db2.gz PTAZTGYTDGMCAF-OAGGEKHMSA-N 0 0 347.459 1.644 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(C(=O)[O-])c1C ZINC000185011219 301386163 /nfs/dbraw/zinc/38/61/63/301386163.db2.gz JIHKQLOQRVQKFZ-CYBMUJFWSA-N 0 0 338.429 1.470 10 0 EDAERN O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1cncc(Br)c1 ZINC000044244945 304762510 /nfs/dbraw/zinc/76/25/10/304762510.db2.gz DNPWBXJOTQEQOT-NXEZZACHSA-N 0 0 335.223 1.426 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(F)c2F)n1 ZINC000183745144 302852901 /nfs/dbraw/zinc/85/29/01/302852901.db2.gz YAMVRYHAUSLDCI-JTQLQIEISA-N 0 0 345.327 1.418 10 0 EDAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cn1 ZINC000194775335 302923753 /nfs/dbraw/zinc/92/37/53/302923753.db2.gz GZIBOXZLVFIDGI-LBPRGKRZSA-N 0 0 349.441 1.951 10 0 EDAERN Cn1cnnc1[C@H]1CCCN1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000333272373 303039639 /nfs/dbraw/zinc/03/96/39/303039639.db2.gz HWMVERPBGCMDBO-GHMZBOCLSA-N 0 0 331.342 1.505 10 0 EDAERN Cc1nc2cc(C(=O)N3C[C@@H](C(N)=O)[C@H](C(F)(F)F)C3)ccc2o1 ZINC000299745889 303657628 /nfs/dbraw/zinc/65/76/28/303657628.db2.gz TVHXGVQPCZLTJR-NXEZZACHSA-N 0 0 341.289 1.872 10 0 EDAERN O=C(N[C@H]1CCO[C@H]1c1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000332699987 303774153 /nfs/dbraw/zinc/77/41/53/303774153.db2.gz AHSXZRWYGBSIPO-RDJZCZTQSA-N 0 0 329.400 1.533 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccn2)[C@@H](C(=O)[O-])C1 ZINC000008699746 441097820 /nfs/dbraw/zinc/09/78/20/441097820.db2.gz VMAIGYCXMUELCJ-UONOGXRCSA-N 0 0 335.404 1.881 10 0 EDAERN COCCc1noc(CO[C@@H]2CCCN(C(=O)c3ccoc3)C2)n1 ZINC000097942602 441146520 /nfs/dbraw/zinc/14/65/20/441146520.db2.gz RFCRMQLULZKBFW-CYBMUJFWSA-N 0 0 335.360 1.673 10 0 EDAERN CCNC(=O)N1CCCN([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097945170 441147103 /nfs/dbraw/zinc/14/71/03/441147103.db2.gz KUMAMJCULJTJDB-QGZVFWFLSA-N 0 0 344.459 1.525 10 0 EDAERN CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000058940848 441222823 /nfs/dbraw/zinc/22/28/23/441222823.db2.gz OQDBSPCZDKXNSP-GFCCVEGCSA-N 0 0 333.432 1.414 10 0 EDAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000105281719 441248336 /nfs/dbraw/zinc/24/83/36/441248336.db2.gz NYIPNJPRWNEIEF-AWEZNQCLSA-N 0 0 334.420 1.149 10 0 EDAERN Cc1ccc(CNC(=O)CN2CCCN(c3cccnn3)CC2)cc1 ZINC000105798298 441272212 /nfs/dbraw/zinc/27/22/12/441272212.db2.gz UUCRZRCXIAIGOO-UHFFFAOYSA-N 0 0 339.443 1.614 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)n1 ZINC000105819895 441277378 /nfs/dbraw/zinc/27/73/78/441277378.db2.gz ZSENCGZZBZZDMO-UHFFFAOYSA-N 0 0 347.806 1.886 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NCc2ccc(C)cc2)C[C@H]1C ZINC000105833058 441286166 /nfs/dbraw/zinc/28/61/66/441286166.db2.gz UHHIYJQLUSZGJZ-SJORKVTESA-N 0 0 333.476 1.652 10 0 EDAERN CCC(CC)NC(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865828 441296206 /nfs/dbraw/zinc/29/62/06/441296206.db2.gz AIMRSPMYWCHKJV-MRXNPFEDSA-N 0 0 349.523 1.848 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000105838731 441290351 /nfs/dbraw/zinc/29/03/51/441290351.db2.gz VUJFUUZMDWQFLC-LLVKDONJSA-N 0 0 328.844 1.315 10 0 EDAERN CC(C)[C@@H](C)NC(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866061 441296770 /nfs/dbraw/zinc/29/67/70/441296770.db2.gz MBAMFUFZNGJTDU-MRXNPFEDSA-N 0 0 349.523 1.916 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000105868161 441298756 /nfs/dbraw/zinc/29/87/56/441298756.db2.gz CJUPACVAQDJJOD-UHFFFAOYSA-N 0 0 326.400 1.852 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cccc(F)c3)CCO2)c1 ZINC000105891440 441308871 /nfs/dbraw/zinc/30/88/71/441308871.db2.gz HZWABXONLWYAMN-INIZCTEOSA-N 0 0 332.379 1.670 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)N(CC(C)C)C3CC3)CCO2)n1 ZINC000105893844 441311212 /nfs/dbraw/zinc/31/12/12/441311212.db2.gz AJMPYNVLVJWXFC-GOSISDBHSA-N 0 0 348.491 1.848 10 0 EDAERN CCCCNC(=O)NC(=O)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000105896976 441312144 /nfs/dbraw/zinc/31/21/44/441312144.db2.gz ZZYSORSTIHRKBE-AWEZNQCLSA-N 0 0 335.452 1.708 10 0 EDAERN CCOc1ccccc1NC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926255 441317254 /nfs/dbraw/zinc/31/72/54/441317254.db2.gz KWRBCDOHMDXSEA-HUUCEWRRSA-N 0 0 335.448 1.675 10 0 EDAERN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925152 441317390 /nfs/dbraw/zinc/31/73/90/441317390.db2.gz QPWPELIIAWOADR-CZUORRHYSA-N 0 0 339.867 1.607 10 0 EDAERN CCCc1noc(CCCC(=O)N[C@@H]2CCCn3nc(C)nc32)n1 ZINC000081812828 441317677 /nfs/dbraw/zinc/31/76/77/441317677.db2.gz GEZQQSLCGIXRLQ-GFCCVEGCSA-N 0 0 332.408 1.896 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(CC)Cc1ccccn1 ZINC000084205265 441385927 /nfs/dbraw/zinc/38/59/27/441385927.db2.gz JMAFIVUNYKRPFA-HNNXBMFYSA-N 0 0 339.461 1.634 10 0 EDAERN CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000106529819 441351178 /nfs/dbraw/zinc/35/11/78/441351178.db2.gz MDRNOVXFPHPRLC-CVEARBPZSA-N 0 0 327.469 1.698 10 0 EDAERN CN(CCc1ccc(Br)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000106667317 441362925 /nfs/dbraw/zinc/36/29/25/441362925.db2.gz SJGVHHRLFIWNHW-NSHDSACASA-N 0 0 325.206 1.586 10 0 EDAERN CC(C)(C)c1csc([C@H]2CN(CCNS(C)(=O)=O)CCO2)n1 ZINC000107300280 441407225 /nfs/dbraw/zinc/40/72/25/441407225.db2.gz RMBCDKDUHGSVIR-LLVKDONJSA-N 0 0 347.506 1.363 10 0 EDAERN Cc1ccc(CNC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)cc1 ZINC000065313764 441417192 /nfs/dbraw/zinc/41/71/92/441417192.db2.gz CKJMLBOYPLYNII-INIZCTEOSA-N 0 0 340.427 1.622 10 0 EDAERN Cc1nc(-c2cccnc2)nc(N2CCN([C@@H](C)C(N)=O)CC2)c1C ZINC000085704734 441448132 /nfs/dbraw/zinc/44/81/32/441448132.db2.gz NNYZAXGMWOHTJC-AWEZNQCLSA-N 0 0 340.431 1.151 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnn(CCOC)c1 ZINC000086990643 441474300 /nfs/dbraw/zinc/47/43/00/441474300.db2.gz YHRGQBVWQXDEDV-LBPRGKRZSA-N 0 0 333.396 1.340 10 0 EDAERN CNC(=O)c1ccc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)cc1 ZINC000109005759 441484619 /nfs/dbraw/zinc/48/46/19/441484619.db2.gz VAILPJRXTRWHAC-SFHVURJKSA-N 0 0 342.443 1.761 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](Nc1ncc(C(N)=O)cc1Cl)CC2 ZINC000109320615 441495894 /nfs/dbraw/zinc/49/58/94/441495894.db2.gz WNMZHUTUEZNEES-SNVBAGLBSA-N 0 0 334.811 1.976 10 0 EDAERN COc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)sc1S(N)(=O)=O ZINC000088577678 441513544 /nfs/dbraw/zinc/51/35/44/441513544.db2.gz OVPSRYZJQFBBAG-QMMMGPOBSA-N 0 0 344.414 1.797 10 0 EDAERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000110353859 441516862 /nfs/dbraw/zinc/51/68/62/441516862.db2.gz DCXAGGMAULIAEW-GXSJLCMTSA-N 0 0 325.206 1.632 10 0 EDAERN O=C([C@H]1CNC(=O)C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000110357928 441517594 /nfs/dbraw/zinc/51/75/94/441517594.db2.gz KRNKERFYQXPRCM-SNVBAGLBSA-N 0 0 327.837 1.182 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N(C)CC(=O)N2CCOCC2)cc1F ZINC000088786164 441522729 /nfs/dbraw/zinc/52/27/29/441522729.db2.gz PVXORLINWSEIMC-ZDUSSCGKSA-N 0 0 337.395 1.695 10 0 EDAERN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075530965 441531783 /nfs/dbraw/zinc/53/17/83/441531783.db2.gz CFMDDDWKXHJZLF-SMDDNHRTSA-N 0 0 326.418 1.058 10 0 EDAERN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000030858174 441505264 /nfs/dbraw/zinc/50/52/64/441505264.db2.gz RCHNIKZPADTLET-CYBMUJFWSA-N 0 0 343.383 1.803 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000054452168 441577978 /nfs/dbraw/zinc/57/79/78/441577978.db2.gz ZDEMBMUWKITTHK-LLVKDONJSA-N 0 0 348.428 1.810 10 0 EDAERN COCCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1Cl ZINC000076097962 441597074 /nfs/dbraw/zinc/59/70/74/441597074.db2.gz TXAGJMDZKCCBDJ-SKDRFNHKSA-N 0 0 326.780 1.828 10 0 EDAERN C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000113373712 441603574 /nfs/dbraw/zinc/60/35/74/441603574.db2.gz GTBAKCCMMFUKOC-HDPALTEOSA-N 0 0 348.447 1.442 10 0 EDAERN CC(C)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)OCc1ccccc1 ZINC000113916143 441627865 /nfs/dbraw/zinc/62/78/65/441627865.db2.gz XKWLDRZPQMHULC-GJZGRUSLSA-N 0 0 332.400 1.397 10 0 EDAERN COC[C@H]1CN(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CCO1 ZINC000076471019 441649631 /nfs/dbraw/zinc/64/96/31/441649631.db2.gz ZATGYERAWHPKSD-WMLDXEAASA-N 0 0 344.415 1.990 10 0 EDAERN CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000173338130 441717633 /nfs/dbraw/zinc/71/76/33/441717633.db2.gz YTKHMURMDMPOKD-HOCLYGCPSA-N 0 0 333.432 1.758 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3cccnc3)on1)CC2 ZINC000114864201 441693321 /nfs/dbraw/zinc/69/33/21/441693321.db2.gz BMCASCGGFQHPRA-GFCCVEGCSA-N 0 0 338.371 1.635 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc([S@@](C)=O)cc1)CC2 ZINC000114867283 441693807 /nfs/dbraw/zinc/69/38/07/441693807.db2.gz MFLHMTWZQKYGDI-SPSFWMDKSA-N 0 0 332.429 1.323 10 0 EDAERN CCn1ccc(CN2CCC3(CCC(=O)N(CCOC)C3)CC2)n1 ZINC000091364721 441696615 /nfs/dbraw/zinc/69/66/15/441696615.db2.gz PQGHOLBOFBMBRH-UHFFFAOYSA-N 0 0 334.464 1.754 10 0 EDAERN CC(C)COC[C@H](O)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121465179 441710452 /nfs/dbraw/zinc/71/04/52/441710452.db2.gz LBUJKZZAMQHTGD-CHWSQXEVSA-N 0 0 339.440 1.008 10 0 EDAERN CCCCO[C@@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173422203 441745288 /nfs/dbraw/zinc/74/52/88/441745288.db2.gz DOQQJCGHRYEVHP-UONOGXRCSA-N 0 0 335.452 1.809 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc(F)cc2)ncn1 ZINC000173429218 441746564 /nfs/dbraw/zinc/74/65/64/441746564.db2.gz LMPDPOQSRTZUNF-HNNXBMFYSA-N 0 0 343.406 1.985 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(COC)o2)ncn1 ZINC000173444843 441752647 /nfs/dbraw/zinc/75/26/47/441752647.db2.gz JORMEKTYYWYOJL-LBPRGKRZSA-N 0 0 345.403 1.657 10 0 EDAERN CC(C)[C@H](C)NC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000158764229 441762342 /nfs/dbraw/zinc/76/23/42/441762342.db2.gz KXMMVEAEEGYWFY-HNNXBMFYSA-N 0 0 332.448 1.679 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000115652838 441767361 /nfs/dbraw/zinc/76/73/61/441767361.db2.gz HASIIZOEFYEEAF-WMLDXEAASA-N 0 0 349.479 1.432 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NCc3ccccc3F)CCO2)[nH]1 ZINC000173355485 441722454 /nfs/dbraw/zinc/72/24/54/441722454.db2.gz XPYQBAJRGMTSCB-XHDPSFHLSA-N 0 0 347.394 1.330 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NC3CCC(C)CC3)CCO2)[nH]1 ZINC000173355372 441722856 /nfs/dbraw/zinc/72/28/56/441722856.db2.gz UMAARSSVWFGWHM-SROGKVSYSA-N 0 0 335.452 1.570 10 0 EDAERN C[C@@H](NC(=O)NC1CCC2(CC1)OCCO2)c1nnc2n1CCCC2 ZINC000136792462 441724935 /nfs/dbraw/zinc/72/49/35/441724935.db2.gz NCIKWJCVVQZLHJ-GFCCVEGCSA-N 0 0 349.435 1.660 10 0 EDAERN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000136812971 441726456 /nfs/dbraw/zinc/72/64/56/441726456.db2.gz XGNGKNSGLHMLOK-BZUAXINKSA-N 0 0 341.496 1.942 10 0 EDAERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCc2ncnn2C1 ZINC000173371652 441727133 /nfs/dbraw/zinc/72/71/33/441727133.db2.gz SVNQZLNSQDDKOQ-HNNXBMFYSA-N 0 0 339.399 1.300 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cccn(C)c1=O)CC2 ZINC000173531659 441781482 /nfs/dbraw/zinc/78/14/82/441781482.db2.gz IHTVLXRXSLKOKG-LLVKDONJSA-N 0 0 330.392 1.237 10 0 EDAERN Cc1cccnc1[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(C)C ZINC000115839749 441782829 /nfs/dbraw/zinc/78/28/29/441782829.db2.gz UMXYSJSCHOXVFA-HIFRSBDPSA-N 0 0 328.420 1.993 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(-c4cccnc4)on3)CCO2)[nH]1 ZINC000173538184 441783238 /nfs/dbraw/zinc/78/32/38/441783238.db2.gz BJQNSOXPIGIXEH-CQSZACIVSA-N 0 0 340.343 1.377 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCCC3(C)C)C2=O)n(C)n1 ZINC000173557983 441789765 /nfs/dbraw/zinc/78/97/65/441789765.db2.gz SPKIMSSCBVVLIT-ZDUSSCGKSA-N 0 0 333.436 1.808 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116042590 441790806 /nfs/dbraw/zinc/79/08/06/441790806.db2.gz CKUFOPALXVFMQF-ZDUSSCGKSA-N 0 0 326.356 1.830 10 0 EDAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@H]1c1ccco1 ZINC000116043644 441790968 /nfs/dbraw/zinc/79/09/68/441790968.db2.gz QKUPJWKBGDQJLG-GFCCVEGCSA-N 0 0 331.372 1.808 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116042588 441791139 /nfs/dbraw/zinc/79/11/39/441791139.db2.gz CKUFOPALXVFMQF-CYBMUJFWSA-N 0 0 326.356 1.830 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@@H](C)c3c(C)noc3C)CCO2)[nH]1 ZINC000173568644 441794374 /nfs/dbraw/zinc/79/43/74/441794374.db2.gz KAENDJRVHFJJME-JOYOIKCWSA-N 0 0 333.392 1.676 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CCCNC(=O)c3ccccc3)C2)cn1 ZINC000116119431 441795249 /nfs/dbraw/zinc/79/52/49/441795249.db2.gz KGHFPULGYNJXAD-MRXNPFEDSA-N 0 0 340.427 1.946 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3ccnn3C)CC2)cs1 ZINC000116417788 441820935 /nfs/dbraw/zinc/82/09/35/441820935.db2.gz HERZXTXOLDWSGI-UHFFFAOYSA-N 0 0 348.476 1.603 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CCc3ccccc3O)CCO2)[nH]1 ZINC000173612231 441804800 /nfs/dbraw/zinc/80/48/00/441804800.db2.gz ZKZSMWRNKOIHEQ-CQSZACIVSA-N 0 0 330.388 1.605 10 0 EDAERN COC(=O)C1(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)CCCCC1 ZINC000116311855 441811979 /nfs/dbraw/zinc/81/19/79/441811979.db2.gz USLIGCVLMULTTN-AWEZNQCLSA-N 0 0 348.447 1.202 10 0 EDAERN CC(=O)N1CCC(NC(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000173898177 441858812 /nfs/dbraw/zinc/85/88/12/441858812.db2.gz HTSJMWPVJLAJRX-AWEZNQCLSA-N 0 0 333.432 1.902 10 0 EDAERN C[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)c1cccc(-n2ccnc2)c1 ZINC000173949305 441866892 /nfs/dbraw/zinc/86/68/92/441866892.db2.gz TTZHYWCNWBYZMY-FZMZJTMJSA-N 0 0 341.371 1.038 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NCC1(c2ccccc2)CC1 ZINC000173949938 441868759 /nfs/dbraw/zinc/86/87/59/441868759.db2.gz HXMWRSMSZJTPDN-GOSISDBHSA-N 0 0 343.471 1.241 10 0 EDAERN CC(=O)c1ccc(NC(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173678575 441822246 /nfs/dbraw/zinc/82/22/46/441822246.db2.gz FYHHXIWCEVRZIR-OAHLLOKOSA-N 0 0 343.387 1.328 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(C(N)=O)cc3)C2)cn1 ZINC000116531402 441828027 /nfs/dbraw/zinc/82/80/27/441828027.db2.gz QEOUGJDHFKWYSK-CQSZACIVSA-N 0 0 327.388 1.218 10 0 EDAERN O=C(NCCc1nc2ccccc2[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173768024 441838291 /nfs/dbraw/zinc/83/82/91/441838291.db2.gz DICFAZIXPOYEFR-CQSZACIVSA-N 0 0 343.431 1.222 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1CC ZINC000116766905 441840103 /nfs/dbraw/zinc/84/01/03/441840103.db2.gz LCHKGFWTLDYTAV-OAHLLOKOSA-N 0 0 345.447 1.611 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC000116755524 441841252 /nfs/dbraw/zinc/84/12/52/441841252.db2.gz QUKQHUDHAOIUKB-AWEZNQCLSA-N 0 0 341.415 1.951 10 0 EDAERN Cc1ccc(OCCCNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173798537 441841808 /nfs/dbraw/zinc/84/18/08/441841808.db2.gz MUQYYRSCTPADAS-KRWDZBQOSA-N 0 0 347.459 1.880 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)NCCn2cc(C)cn2)ccc1C ZINC000173794882 441841912 /nfs/dbraw/zinc/84/19/12/441841912.db2.gz YDCYFBPKGMABNV-UHFFFAOYSA-N 0 0 337.401 1.265 10 0 EDAERN CC[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174596572 441942003 /nfs/dbraw/zinc/94/20/03/441942003.db2.gz ORWHZLIXABRTEH-IUODEOHRSA-N 0 0 326.387 1.811 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)[C@H]1CN(C)CCO1)c1ccccc1C ZINC000174677273 441953031 /nfs/dbraw/zinc/95/30/31/441953031.db2.gz HCGOFUVALMIMNR-HZPDHXFCSA-N 0 0 334.416 1.436 10 0 EDAERN C[C@H](CN1CCOCC1)NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000175109847 442005842 /nfs/dbraw/zinc/00/58/42/442005842.db2.gz YZOGJFQEYCEKNO-CVEARBPZSA-N 0 0 335.448 1.612 10 0 EDAERN CC[C@@H](COC)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000175176827 442011240 /nfs/dbraw/zinc/01/12/40/442011240.db2.gz QMTBESFOSOZZMU-STQMWFEESA-N 0 0 336.440 1.211 10 0 EDAERN Cc1cc(NC(=O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)on1 ZINC000120187150 442025510 /nfs/dbraw/zinc/02/55/10/442025510.db2.gz FIXFDHAEUNINJY-LLVKDONJSA-N 0 0 337.401 1.676 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 ZINC000161726315 442028683 /nfs/dbraw/zinc/02/86/83/442028683.db2.gz LOHDYQIYRZWZOA-OAHLLOKOSA-N 0 0 342.403 1.615 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1csc(NC(C)=O)n1 ZINC000151250218 442031929 /nfs/dbraw/zinc/03/19/29/442031929.db2.gz WULIUURAPATAHH-SECBINFHSA-N 0 0 334.405 1.520 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCSC3(CCCCC3)C2)C1 ZINC000175505568 442076680 /nfs/dbraw/zinc/07/66/80/442076680.db2.gz RATCXYQFYRFPTP-CQSZACIVSA-N 0 0 327.494 1.778 10 0 EDAERN COc1ccc2cccc(CC(=O)NC[C@H]3CN(C)CCO3)c2c1 ZINC000151519422 442077416 /nfs/dbraw/zinc/07/74/16/442077416.db2.gz WXNSCKDXUIXTAA-KRWDZBQOSA-N 0 0 328.412 1.838 10 0 EDAERN Fc1cc(F)cc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000120465507 442078384 /nfs/dbraw/zinc/07/83/84/442078384.db2.gz AMYDFBHRVVEEMT-UHFFFAOYSA-N 0 0 330.342 1.725 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)O1 ZINC000151535859 442080465 /nfs/dbraw/zinc/08/04/65/442080465.db2.gz FTUOVDSPOWCXTJ-DOMZBBRYSA-N 0 0 328.372 1.495 10 0 EDAERN CCNC(=O)N1C[C@H](C(=O)NC2CC2)[C@H](c2ccccc2OC)C1 ZINC000096279833 442109186 /nfs/dbraw/zinc/10/91/86/442109186.db2.gz FGYMRFYPGWEZSM-GJZGRUSLSA-N 0 0 331.416 1.719 10 0 EDAERN CC[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccccc1F ZINC000175734517 442113947 /nfs/dbraw/zinc/11/39/47/442113947.db2.gz KRBFDBWRFRXRBP-ZIAGYGMSSA-N 0 0 339.411 1.613 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000162732607 442117798 /nfs/dbraw/zinc/11/77/98/442117798.db2.gz GADZTHJNAGUHAZ-VIFPVBQESA-N 0 0 330.262 1.206 10 0 EDAERN Cc1ccc(CCNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000175776145 442119980 /nfs/dbraw/zinc/11/99/80/442119980.db2.gz AGYHWANANNTPJH-WMLDXEAASA-N 0 0 332.448 1.295 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000162772575 442121518 /nfs/dbraw/zinc/12/15/18/442121518.db2.gz PJWAAFHNAORTGW-LLVKDONJSA-N 0 0 332.491 1.858 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2ccc(O)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000175804375 442126229 /nfs/dbraw/zinc/12/62/29/442126229.db2.gz QCVHAADEGRGXCE-DOMZBBRYSA-N 0 0 337.395 1.393 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)CO[C@@H](C)CC)CC2)n1 ZINC000126695750 442134923 /nfs/dbraw/zinc/13/49/23/442134923.db2.gz PQBRTRIQJBOJIN-AWEZNQCLSA-N 0 0 336.436 1.647 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175863205 442136295 /nfs/dbraw/zinc/13/62/95/442136295.db2.gz KBEWVMRIERPRIY-ZDUSSCGKSA-N 0 0 334.416 1.913 10 0 EDAERN COC(=O)[C@@H](c1ccccc1C)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000163031679 442140232 /nfs/dbraw/zinc/14/02/32/442140232.db2.gz ZLBNPMPKZIBQEJ-LSDHHAIUSA-N 0 0 330.388 1.709 10 0 EDAERN C[C@H](c1ccccc1)[C@](C)(O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000176282068 442204557 /nfs/dbraw/zinc/20/45/57/442204557.db2.gz ZHQIYNUPPBAIJL-AYBZRNKSSA-N 0 0 343.427 1.665 10 0 EDAERN O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCC[C@@H]1CO ZINC000121233754 442194750 /nfs/dbraw/zinc/19/47/50/442194750.db2.gz YCUKGSPWPOZIQJ-GFCCVEGCSA-N 0 0 331.397 1.732 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCCN(CC(F)F)CC1 ZINC000163218461 442151058 /nfs/dbraw/zinc/15/10/58/442151058.db2.gz YLHVEHHEYUPKAI-LLVKDONJSA-N 0 0 328.367 1.095 10 0 EDAERN CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H]2c2ccco2)n1 ZINC000175954401 442153177 /nfs/dbraw/zinc/15/31/77/442153177.db2.gz XTJJAYWSLVJMBR-LLVKDONJSA-N 0 0 332.364 1.328 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(F)c(Cl)c1 ZINC000097013400 442155184 /nfs/dbraw/zinc/15/51/84/442155184.db2.gz PRDKTGUVWXCFTA-LLVKDONJSA-N 0 0 330.772 1.884 10 0 EDAERN O=C(Nc1ccn(Cc2ccncc2)n1)N[C@@H]1CCCn2ncnc21 ZINC000176010082 442161121 /nfs/dbraw/zinc/16/11/21/442161121.db2.gz XQPUEKIFQLXWRY-CYBMUJFWSA-N 0 0 338.375 1.575 10 0 EDAERN CCOC(=O)NCCCC(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000127546631 442210457 /nfs/dbraw/zinc/21/04/57/442210457.db2.gz YRGYVSLFVHXDHD-ZDUSSCGKSA-N 0 0 337.424 1.530 10 0 EDAERN C[C@@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)CC1(C)OCCO1 ZINC000152982717 442254835 /nfs/dbraw/zinc/25/48/35/442254835.db2.gz VSMACMUSMDKUDS-ZIAGYGMSSA-N 0 0 336.436 1.708 10 0 EDAERN CCOCCN1CCN(C(=O)CCNC(=O)CC(C)C)C[C@H]1C ZINC000121402064 442212493 /nfs/dbraw/zinc/21/24/93/442212493.db2.gz RMJMUEUNILIWDK-OAHLLOKOSA-N 0 0 327.469 1.108 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000176373770 442215153 /nfs/dbraw/zinc/21/51/53/442215153.db2.gz WJIQJMOQOOYUKO-UKRRQHHQSA-N 0 0 336.436 1.953 10 0 EDAERN C[C@H](CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cn1ccnc1 ZINC000176384630 442216355 /nfs/dbraw/zinc/21/63/55/442216355.db2.gz ZXXWNSSQSQYEEL-ZIAGYGMSSA-N 0 0 336.436 1.892 10 0 EDAERN COC[C@@H](C)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000176549195 442233226 /nfs/dbraw/zinc/23/32/26/442233226.db2.gz PBDYQCKSJSFZEG-TZMCWYRMSA-N 0 0 326.462 1.829 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)CSCc2cscn2)n1 ZINC000152763100 442242257 /nfs/dbraw/zinc/24/22/57/442242257.db2.gz RWVHPGVYAXWOBR-NSHDSACASA-N 0 0 340.430 1.668 10 0 EDAERN CC[C@@H]1CN(C(=O)Nc2nc(C)ccc2OC)CCN1CCOC ZINC000128048994 442242443 /nfs/dbraw/zinc/24/24/43/442242443.db2.gz JKFIDRSCHKQGNL-CQSZACIVSA-N 0 0 336.436 1.973 10 0 EDAERN CC(C)n1nnnc1CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000170653173 442242662 /nfs/dbraw/zinc/24/26/62/442242662.db2.gz DPCIAMFPDXAANP-UHFFFAOYSA-N 0 0 344.419 1.961 10 0 EDAERN Cc1ccc(CCCCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000128142259 442248179 /nfs/dbraw/zinc/24/81/79/442248179.db2.gz AFEYNBFOOFPZEB-SFHVURJKSA-N 0 0 334.460 1.517 10 0 EDAERN Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000176831845 442261702 /nfs/dbraw/zinc/26/17/02/442261702.db2.gz VKMMSVXDJOIRBT-LBPRGKRZSA-N 0 0 339.363 1.219 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000128521919 442271831 /nfs/dbraw/zinc/27/18/31/442271831.db2.gz ALCVUSAVLQPZMM-CYBMUJFWSA-N 0 0 343.449 1.365 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C(=O)OC)c2)C1 ZINC000129171774 442304898 /nfs/dbraw/zinc/30/48/98/442304898.db2.gz DZXLBDGHWVLBAP-MRXNPFEDSA-N 0 0 333.432 1.799 10 0 EDAERN Cn1c(CN2CCCc3ccc(S(N)(=O)=O)cc32)nnc1C1CC1 ZINC000176994584 442282361 /nfs/dbraw/zinc/28/23/61/442282361.db2.gz VQDKGRUZUABPAL-UHFFFAOYSA-N 0 0 347.444 1.293 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000176997429 442282541 /nfs/dbraw/zinc/28/25/41/442282541.db2.gz XQRKEHSLDAELJI-ABAIWWIYSA-N 0 0 346.399 1.306 10 0 EDAERN COc1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1OC ZINC000170897581 442285237 /nfs/dbraw/zinc/28/52/37/442285237.db2.gz ZJNUDHOTYAALLN-AWEZNQCLSA-N 0 0 345.403 1.842 10 0 EDAERN OC[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CCO1 ZINC000128817141 442289966 /nfs/dbraw/zinc/28/99/66/442289966.db2.gz QROBAAIUZNWKBL-ZDUSSCGKSA-N 0 0 328.206 1.577 10 0 EDAERN CCCc1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)[nH]n1 ZINC000128317378 442259315 /nfs/dbraw/zinc/25/93/15/442259315.db2.gz SCVNAGCKBMPNAG-JTQLQIEISA-N 0 0 336.417 1.501 10 0 EDAERN O=C(NCCN1CCc2sccc2C1)N[C@@H]1CCCn2ncnc21 ZINC000177329783 442328922 /nfs/dbraw/zinc/32/89/22/442328922.db2.gz GWMHHQGOTXCICV-CYBMUJFWSA-N 0 0 346.460 1.532 10 0 EDAERN O=C(NCCCCNc1ccccn1)N[C@H]1CCCn2ncnc21 ZINC000177359895 442332093 /nfs/dbraw/zinc/33/20/93/442332093.db2.gz ZUGZOIGASHRCDA-ZDUSSCGKSA-N 0 0 329.408 1.700 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000177402506 442336853 /nfs/dbraw/zinc/33/68/53/442336853.db2.gz VTDGPBYBMNZYAL-MRXNPFEDSA-N 0 0 329.400 1.524 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000171288394 442338646 /nfs/dbraw/zinc/33/86/46/442338646.db2.gz WKTDUYTYWHVUPC-CYBMUJFWSA-N 0 0 334.807 1.791 10 0 EDAERN COc1c(CNC(=O)c2csc([C@H]3CCCO3)n2)c(C)nn1C ZINC000154495985 442342248 /nfs/dbraw/zinc/34/22/48/442342248.db2.gz XOCGZVUJWXEYPB-GFCCVEGCSA-N 0 0 336.417 1.975 10 0 EDAERN CN1CCO[C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000171094616 442310404 /nfs/dbraw/zinc/31/04/04/442310404.db2.gz OWHFONUFNXWNHH-QGZVFWFLSA-N 0 0 346.452 1.963 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000177209685 442313751 /nfs/dbraw/zinc/31/37/51/442313751.db2.gz YWAHATYZIAIQAY-CYBMUJFWSA-N 0 0 338.367 1.380 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c(F)c1 ZINC000177652330 442367327 /nfs/dbraw/zinc/36/73/27/442367327.db2.gz YKQVXNFZJGKPEW-CYBMUJFWSA-N 0 0 346.362 1.197 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000177681014 442370102 /nfs/dbraw/zinc/37/01/02/442370102.db2.gz PSFSKUCIUQSNDM-MRXNPFEDSA-N 0 0 336.399 1.966 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCCCCCC1=O ZINC000177697705 442372597 /nfs/dbraw/zinc/37/25/97/442372597.db2.gz ROGLNOLMSLSSFQ-ZDUSSCGKSA-N 0 0 349.435 1.168 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000177713693 442374319 /nfs/dbraw/zinc/37/43/19/442374319.db2.gz ZZXSAYBEWNIZFL-DYVFJYSZSA-N 0 0 346.431 1.829 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000177715232 442375003 /nfs/dbraw/zinc/37/50/03/442375003.db2.gz YVLJZOHTZNYDSB-AWEZNQCLSA-N 0 0 342.399 1.942 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)COc3cccc(C)c3)CC2)no1 ZINC000171759400 442378027 /nfs/dbraw/zinc/37/80/27/442378027.db2.gz XWGSULNXEKUFIT-UHFFFAOYSA-N 0 0 344.415 1.800 10 0 EDAERN CCCc1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)[nH]n1 ZINC000171787936 442381176 /nfs/dbraw/zinc/38/11/76/442381176.db2.gz AOHYEBACXQAJPO-UHFFFAOYSA-N 0 0 332.408 1.402 10 0 EDAERN COCc1csc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000177882717 442392786 /nfs/dbraw/zinc/39/27/86/442392786.db2.gz UAGOEZIRUIBOGR-WCQYABFASA-N 0 0 340.449 1.474 10 0 EDAERN CCn1cc(Br)cc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172001934 442397847 /nfs/dbraw/zinc/39/78/47/442397847.db2.gz GQBYCGJQZKVZSV-SNVBAGLBSA-N 0 0 338.209 1.607 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)Cn1ccnc1C)CC2 ZINC000172023402 442401083 /nfs/dbraw/zinc/40/10/83/442401083.db2.gz KUZYMJOSOGEEHQ-GXTWGEPZSA-N 0 0 345.451 1.296 10 0 EDAERN CC(=O)N[C@H](CC(=O)N[C@@H]1CCCn2ncnc21)c1ccc(C)cc1 ZINC000177588653 442360688 /nfs/dbraw/zinc/36/06/88/442360688.db2.gz UNOSUTHLAIGNPV-HZPDHXFCSA-N 0 0 341.415 1.805 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCCN1CCOC1=O ZINC000172074809 442406366 /nfs/dbraw/zinc/40/63/66/442406366.db2.gz QPQCVHPWAMLQNC-CQSZACIVSA-N 0 0 349.435 1.726 10 0 EDAERN O=C(N[C@H]1CCCOC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172134731 442413099 /nfs/dbraw/zinc/41/30/99/442413099.db2.gz UNMHJTIVGOHDIO-DLBZAZTESA-N 0 0 333.432 1.226 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCO4)C2)cn1 ZINC000172206268 442423966 /nfs/dbraw/zinc/42/39/66/442423966.db2.gz GLRSUFQNVYGGEV-ZDUSSCGKSA-N 0 0 340.383 1.310 10 0 EDAERN CC(C)[C@H](O)CC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000155846543 442432149 /nfs/dbraw/zinc/43/21/49/442432149.db2.gz LVYXTRJSNSSNNX-CQSZACIVSA-N 0 0 339.823 1.622 10 0 EDAERN Cc1cnn(CCNC(=O)NCCc2ccc3c(c2)OCCO3)c1 ZINC000172267194 442432978 /nfs/dbraw/zinc/43/29/78/442432978.db2.gz UGAXQNRGRADFOA-UHFFFAOYSA-N 0 0 330.388 1.505 10 0 EDAERN CC[C@@H](O)CN1CCN(CCCS(=O)(=O)c2ccccc2)CC1 ZINC000172355384 442449071 /nfs/dbraw/zinc/44/90/71/442449071.db2.gz XUSQBCVKAJXZDW-MRXNPFEDSA-N 0 0 340.489 1.239 10 0 EDAERN O=C(c1cc(-c2ccncc2)on1)N1CCC[C@H](Cn2cncn2)C1 ZINC000172395761 442454388 /nfs/dbraw/zinc/45/43/88/442454388.db2.gz JHVUODPXQDWTFV-ZDUSSCGKSA-N 0 0 338.371 1.881 10 0 EDAERN C[C@H](CCNC(=O)[C@@H]1CCn2ccnc2C1)NC(=O)OC(C)(C)C ZINC000178806483 442490513 /nfs/dbraw/zinc/49/05/13/442490513.db2.gz KJDRXUIHPSBEMZ-CHWSQXEVSA-N 0 0 336.436 1.865 10 0 EDAERN CCOC1CC(CCNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000191686561 442490530 /nfs/dbraw/zinc/49/05/30/442490530.db2.gz UTERPADAXXHOPN-JXQTWKCFSA-N 0 0 337.424 1.401 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)cn1 ZINC000191705943 442494291 /nfs/dbraw/zinc/49/42/91/442494291.db2.gz BBLKORRSDJTDDF-QGZVFWFLSA-N 0 0 343.383 1.774 10 0 EDAERN C[C@H](C(=O)NC1CCC(C)CC1)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191737542 442502560 /nfs/dbraw/zinc/50/25/60/442502560.db2.gz FWFDGOQHAYSAOK-SHARSMKWSA-N 0 0 339.480 1.551 10 0 EDAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000191763206 442507099 /nfs/dbraw/zinc/50/70/99/442507099.db2.gz XJLKDDJGKUIHJM-LBPRGKRZSA-N 0 0 338.429 1.219 10 0 EDAERN CN(CCn1cccn1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000134231399 442460151 /nfs/dbraw/zinc/46/01/51/442460151.db2.gz RECUOFGGOKCDFI-DOTOQJQBSA-N 0 0 344.390 1.700 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cnn(Cc2ccccc2)c1C)C(C)C ZINC000178711921 442460367 /nfs/dbraw/zinc/46/03/67/442460367.db2.gz UUBKETYORVUBND-MRXNPFEDSA-N 0 0 328.416 1.740 10 0 EDAERN CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@H]1CCCN(c2cccnn2)C1 ZINC000172435462 442460701 /nfs/dbraw/zinc/46/07/01/442460701.db2.gz SUMDBGYMOFHPOQ-RDJZCZTQSA-N 0 0 338.411 1.908 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000186091233 442461600 /nfs/dbraw/zinc/46/16/00/442461600.db2.gz STXYANLANNWQIX-CYBMUJFWSA-N 0 0 332.379 1.907 10 0 EDAERN Cc1ccc2oc(N3CCN(C(=O)N[C@@H]4CCOC4)CC3)nc2c1 ZINC000178753459 442474985 /nfs/dbraw/zinc/47/49/85/442474985.db2.gz QEHFPMXRBYMHAR-CYBMUJFWSA-N 0 0 330.388 1.757 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000178759137 442476399 /nfs/dbraw/zinc/47/63/99/442476399.db2.gz YEQQRCRJQUNFGF-GFCCVEGCSA-N 0 0 344.452 1.935 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H]1O)c1ccc(S(C)(=O)=O)cc1 ZINC000172529134 442481583 /nfs/dbraw/zinc/48/15/83/442481583.db2.gz BKIFJSQQINFLNQ-BPNCWPANSA-N 0 0 326.418 1.364 10 0 EDAERN COc1ccc(CCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1OC ZINC000172755007 442535326 /nfs/dbraw/zinc/53/53/26/442535326.db2.gz XOSKJDDGPQRZNF-INIZCTEOSA-N 0 0 348.443 1.570 10 0 EDAERN O=C(CCCc1nc2ccccc2[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000172760467 442536681 /nfs/dbraw/zinc/53/66/81/442536681.db2.gz KQTFVTDEHVIZME-HNNXBMFYSA-N 0 0 342.443 1.819 10 0 EDAERN Cc1[nH]c(=S)sc1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760635 442537128 /nfs/dbraw/zinc/53/71/28/442537128.db2.gz GHIGIYQLAXRHOC-LLVKDONJSA-N 0 0 327.475 1.590 10 0 EDAERN CCCCOCCNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000157180319 442558745 /nfs/dbraw/zinc/55/87/45/442558745.db2.gz BMRGMDHVLPQLQC-GFCCVEGCSA-N 0 0 325.413 1.375 10 0 EDAERN CC[C@H]1CN(C(=O)c2sc(COC)nc2C)CCN1CCOC ZINC000135102702 442555951 /nfs/dbraw/zinc/55/59/51/442555951.db2.gz PDMLZXIXLYXDHD-ZDUSSCGKSA-N 0 0 341.477 1.781 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2sccc2Br)C1 ZINC000134689178 442512392 /nfs/dbraw/zinc/51/23/92/442512392.db2.gz ZWIHAVCUWNQTOW-VIFPVBQESA-N 0 0 333.251 1.961 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc2scnc2c1 ZINC000172665183 442517632 /nfs/dbraw/zinc/51/76/32/442517632.db2.gz QBFACPRQCYKWKG-ZWNOBZJWSA-N 0 0 333.413 1.902 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172746826 442531794 /nfs/dbraw/zinc/53/17/94/442531794.db2.gz DZQKLPVDPGZVFD-AWEZNQCLSA-N 0 0 335.379 1.331 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1c[nH]c2cccc(F)c21)N1CCOCC1 ZINC000186612013 442573531 /nfs/dbraw/zinc/57/35/31/442573531.db2.gz JERZPJAIEZLAHY-NSHDSACASA-N 0 0 341.408 1.306 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000186628410 442577885 /nfs/dbraw/zinc/57/78/85/442577885.db2.gz FPDDHPFXLOJYCV-KBXCAEBGSA-N 0 0 343.431 1.681 10 0 EDAERN CCn1cc(C(=O)C(=O)N2CCC(c3cnn(CC)c3)CC2)cn1 ZINC000135353808 442585363 /nfs/dbraw/zinc/58/53/63/442585363.db2.gz NKSNMGQYFVMLGF-UHFFFAOYSA-N 0 0 329.404 1.708 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000192103286 442592935 /nfs/dbraw/zinc/59/29/35/442592935.db2.gz QXUSEBRFHUCKBM-HNNXBMFYSA-N 0 0 340.464 1.820 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2nnc3n2CCCC3)C1 ZINC000135426820 442594386 /nfs/dbraw/zinc/59/43/86/442594386.db2.gz BBYWNJHYWDLFDO-QWHCGFSZSA-N 0 0 349.435 1.660 10 0 EDAERN CCOC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2nnc3n2CCCC3)C1 ZINC000135426841 442595170 /nfs/dbraw/zinc/59/51/70/442595170.db2.gz BBYWNJHYWDLFDO-OLZOCXBDSA-N 0 0 349.435 1.660 10 0 EDAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CCC[C@@H]1Cn1ccnc1 ZINC000180436498 442602701 /nfs/dbraw/zinc/60/27/01/442602701.db2.gz GUPQECRNJMNGPU-CYBMUJFWSA-N 0 0 341.371 1.911 10 0 EDAERN C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000158104112 442646349 /nfs/dbraw/zinc/64/63/49/442646349.db2.gz JVXLFROMFVFKNT-GFCCVEGCSA-N 0 0 341.454 1.865 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000180674860 442646364 /nfs/dbraw/zinc/64/63/64/442646364.db2.gz CJRCTTWCAOKWSD-INIZCTEOSA-N 0 0 347.463 1.455 10 0 EDAERN COCCN1CCN(C(=O)c2cccnc2Br)C[C@H]1C ZINC000135644159 442623075 /nfs/dbraw/zinc/62/30/75/442623075.db2.gz MFOLPJIORTXDIZ-LLVKDONJSA-N 0 0 342.237 1.637 10 0 EDAERN CCOc1ccnc(N2CCCN(Cc3nnc(CC)n3C)CC2)n1 ZINC000135766051 442631284 /nfs/dbraw/zinc/63/12/84/442631284.db2.gz SZUNTAJMLZEGBD-UHFFFAOYSA-N 0 0 345.451 1.279 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2ccncc2OC)CC1 ZINC000187504926 442679196 /nfs/dbraw/zinc/67/91/96/442679196.db2.gz MBSKYBVLIJZVIK-ZIAGYGMSSA-N 0 0 336.436 1.249 10 0 EDAERN COc1ccc(CNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000181419647 442696162 /nfs/dbraw/zinc/69/61/62/442696162.db2.gz VWQBUGMVEYCTBR-ZDUSSCGKSA-N 0 0 344.419 1.619 10 0 EDAERN COC(=O)[C@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccccc1 ZINC000181457918 442698601 /nfs/dbraw/zinc/69/86/01/442698601.db2.gz HDIDBAGWBNYCHC-CYBMUJFWSA-N 0 0 325.328 1.007 10 0 EDAERN COc1ccccc1N1CC[C@@H](N2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000192536188 442660015 /nfs/dbraw/zinc/66/00/15/442660015.db2.gz DSUVONRINXEZGD-HUUCEWRRSA-N 0 0 331.416 1.353 10 0 EDAERN CCCCOC[C@@H](O)Cn1nc(C)c(S(=O)(=O)N(C)CC)c1C ZINC000193385966 442738122 /nfs/dbraw/zinc/73/81/22/442738122.db2.gz AJQRRWZHWCGSEI-AWEZNQCLSA-N 0 0 347.481 1.318 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)C2=CCOCC2)c2cccs2)CCO1 ZINC000193437515 442742598 /nfs/dbraw/zinc/74/25/98/442742598.db2.gz DALQNKSWRXFHJI-HIFRSBDPSA-N 0 0 336.457 1.973 10 0 EDAERN C[C@H](NC(=O)N1C[C@@H](C)OC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000182258716 442750677 /nfs/dbraw/zinc/75/06/77/442750677.db2.gz FEJNVOZBLRUTPC-UPJWGTAASA-N 0 0 340.445 1.970 10 0 EDAERN COc1ccc2c(c1)C[C@H](C(=O)N1CC(NC(=O)C3CCC3)C1)CO2 ZINC000188482898 442754989 /nfs/dbraw/zinc/75/49/89/442754989.db2.gz PUQVRTAUYDBEIW-AWEZNQCLSA-N 0 0 344.411 1.373 10 0 EDAERN COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000193053751 442708928 /nfs/dbraw/zinc/70/89/28/442708928.db2.gz GXJYSCLJPUMVLY-NSHDSACASA-N 0 0 330.406 1.368 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000188103202 442711974 /nfs/dbraw/zinc/71/19/74/442711974.db2.gz BDWHPGATRFVBID-AWEZNQCLSA-N 0 0 343.427 1.276 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC3(CC1)OCCO3)CC2 ZINC000181753363 442714202 /nfs/dbraw/zinc/71/42/02/442714202.db2.gz JMIANVAOLXULMA-ZDUSSCGKSA-N 0 0 349.435 1.265 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000246583252 442794686 /nfs/dbraw/zinc/79/46/86/442794686.db2.gz ZWDVKUBRJVQYGV-BMFZPTHFSA-N 0 0 333.432 1.935 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(C)nn1Cc1ccccc1 ZINC000188723046 442796727 /nfs/dbraw/zinc/79/67/27/442796727.db2.gz DLLQXCHTRIKLBO-HZPDHXFCSA-N 0 0 342.399 1.160 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CC)c1nccs1 ZINC000246657010 442800070 /nfs/dbraw/zinc/80/00/70/442800070.db2.gz KBWMEZJEDMYWDE-NEPJUHHUSA-N 0 0 345.490 1.915 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000188506624 442757801 /nfs/dbraw/zinc/75/78/01/442757801.db2.gz OEWICVDOUYVYCO-VIFPVBQESA-N 0 0 343.786 1.697 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000188587521 442765799 /nfs/dbraw/zinc/76/57/99/442765799.db2.gz MFKXJHUEVNCGCU-LBPRGKRZSA-N 0 0 325.434 1.247 10 0 EDAERN CCc1cnccc1C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000182546868 442784260 /nfs/dbraw/zinc/78/42/60/442784260.db2.gz UXZZJSCQXUDGNY-UHFFFAOYSA-N 0 0 341.459 1.952 10 0 EDAERN C=C1c2ccccc2C(=O)N1CCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188878919 442833378 /nfs/dbraw/zinc/83/33/78/442833378.db2.gz FVEATPBXBLBYDJ-CYBMUJFWSA-N 0 0 327.384 1.240 10 0 EDAERN O=S(=O)(C[C@@H]1CCCCO1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000188875391 442833391 /nfs/dbraw/zinc/83/33/91/442833391.db2.gz YORRSHIVHTVHLP-QLFBSQMISA-N 0 0 345.486 1.655 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000188811336 442819668 /nfs/dbraw/zinc/81/96/68/442819668.db2.gz CFMKGRUHGPNMND-OCCSQVGLSA-N 0 0 348.369 1.974 10 0 EDAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000188837653 442824476 /nfs/dbraw/zinc/82/44/76/442824476.db2.gz BYZZKCLEDPTKCT-SNVBAGLBSA-N 0 0 333.417 1.203 10 0 EDAERN COC(=O)C1(CNC(=O)N[C@@H]2CCCn3ncnc32)CCCCC1 ZINC000182844964 442834993 /nfs/dbraw/zinc/83/49/93/442834993.db2.gz LGYMSEMTEWTXID-GFCCVEGCSA-N 0 0 335.408 1.536 10 0 EDAERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188886003 442835294 /nfs/dbraw/zinc/83/52/94/442835294.db2.gz HTMPLFFMDWJJOF-ZBFHGGJFSA-N 0 0 337.464 1.748 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000188929739 442843532 /nfs/dbraw/zinc/84/35/32/442843532.db2.gz PFTHMUMBEVFROH-GFCCVEGCSA-N 0 0 332.400 1.993 10 0 EDAERN CCc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cc1F ZINC000163382377 318426322 /nfs/dbraw/zinc/42/63/22/318426322.db2.gz MIEIUJLNXBISSZ-GFCCVEGCSA-N 0 0 337.395 1.164 10 0 EDAERN Cc1ccccc1Nc1nc(N)nc(CN2CCCNC(=O)[C@H]2C)n1 ZINC000189295174 442914645 /nfs/dbraw/zinc/91/46/45/442914645.db2.gz KMVOLGFSMPTPPZ-GFCCVEGCSA-N 0 0 341.419 1.216 10 0 EDAERN CN1CCO[C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)C1 ZINC000194616004 442924394 /nfs/dbraw/zinc/92/43/94/442924394.db2.gz WUQNTAWNNAHIDZ-LBPRGKRZSA-N 0 0 336.417 1.178 10 0 EDAERN COc1cc(C(=O)NC[C@@H]2CN(C)CCO2)ccc1OC(F)F ZINC000194639305 442928627 /nfs/dbraw/zinc/92/86/27/442928627.db2.gz QRGNKCRFCNPZCR-LLVKDONJSA-N 0 0 330.331 1.357 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@](CC)(c3ccc(F)cc3)C2=O)n1C ZINC000194643754 442929912 /nfs/dbraw/zinc/92/99/12/442929912.db2.gz KAXNOOKRKHVKMN-QGZVFWFLSA-N 0 0 345.378 1.874 10 0 EDAERN O=C(CCc1nnc(C2CCCC2)o1)N1CC(NC(=O)C2CC2)C1 ZINC000189385482 442935988 /nfs/dbraw/zinc/93/59/88/442935988.db2.gz XPLXHUANBIFWKB-UHFFFAOYSA-N 0 0 332.404 1.397 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183613218 442946760 /nfs/dbraw/zinc/94/67/60/442946760.db2.gz NMAYRZPTCQLLEA-GJZGRUSLSA-N 0 0 346.493 1.246 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000183732830 442957039 /nfs/dbraw/zinc/95/70/39/442957039.db2.gz BGGIVSPAEKIVNB-UHFFFAOYSA-N 0 0 340.383 1.407 10 0 EDAERN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[C@@H]1CNC(=O)C1 ZINC000194823407 442958935 /nfs/dbraw/zinc/95/89/35/442958935.db2.gz VVSYJRQGMXEZQO-CMPLNLGQSA-N 0 0 338.791 1.972 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(-n3cccc3)c(F)c2)C1)C1CC1 ZINC000189484555 442965351 /nfs/dbraw/zinc/96/53/51/442965351.db2.gz IFTAFSFYZIHMEY-UHFFFAOYSA-N 0 0 327.359 1.967 10 0 EDAERN CC(=O)N(CCC(=O)N1CC(NC(=O)C2CC2)C1)Cc1ccccc1 ZINC000189484026 442965412 /nfs/dbraw/zinc/96/54/12/442965412.db2.gz ZDNSXKZVTCOCGG-UHFFFAOYSA-N 0 0 343.427 1.162 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1)C1CC1 ZINC000189501502 442969325 /nfs/dbraw/zinc/96/93/25/442969325.db2.gz VRBUNDNCCACWHI-UHFFFAOYSA-N 0 0 342.424 1.512 10 0 EDAERN O=S(=O)(N1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCCCCC1 ZINC000249495899 442978154 /nfs/dbraw/zinc/97/81/54/442978154.db2.gz ZTPRGUDDGOXIPT-GJZGRUSLSA-N 0 0 344.502 1.877 10 0 EDAERN CCn1ccnc1CS(=O)(=O)c1nnc(-c2ccc(F)cc2)n1C ZINC000195099183 442981711 /nfs/dbraw/zinc/98/17/11/442981711.db2.gz ZJYBYFDFTBBUET-UHFFFAOYSA-N 0 0 349.391 1.812 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)C[C@H]1C ZINC000249590391 442991990 /nfs/dbraw/zinc/99/19/90/442991990.db2.gz VFDKCDPTWGZSDW-KGLIPLIRSA-N 0 0 327.469 1.106 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCCCNC1=O ZINC000249691764 443000084 /nfs/dbraw/zinc/00/00/84/443000084.db2.gz UMYDPODGFKEAGZ-BPUTZDHNSA-N 0 0 345.443 1.616 10 0 EDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000189813448 443015141 /nfs/dbraw/zinc/01/51/41/443015141.db2.gz MSHYPFIBNZSIIZ-ZYHUDNBSSA-N 0 0 347.337 1.968 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000184412582 443019452 /nfs/dbraw/zinc/01/94/52/443019452.db2.gz XMUIKKUAVGXQHC-KXBFYZLASA-N 0 0 328.412 1.877 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)C12CCOCC2 ZINC000184494503 443029437 /nfs/dbraw/zinc/02/94/37/443029437.db2.gz NJELHSWAVWVZHJ-HZPDHXFCSA-N 0 0 333.432 1.852 10 0 EDAERN Cc1c(Br)cccc1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000189936097 443033597 /nfs/dbraw/zinc/03/35/97/443033597.db2.gz IAHXJZAKCMDIQX-GFCCVEGCSA-N 0 0 341.205 1.013 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(COC(C)(C)C)on1)CC2 ZINC000184540825 443036229 /nfs/dbraw/zinc/03/62/29/443036229.db2.gz NOTIQTPITZDQBR-NSHDSACASA-N 0 0 347.419 1.888 10 0 EDAERN C[C@@H](c1nccs1)N1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000184586388 443045074 /nfs/dbraw/zinc/04/50/74/443045074.db2.gz OILDXXPEGVBKGH-KBPBESRZSA-N 0 0 327.494 1.998 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000195240374 443000409 /nfs/dbraw/zinc/00/04/09/443000409.db2.gz YKPPPJIGNATZIX-GHMZBOCLSA-N 0 0 349.353 1.057 10 0 EDAERN CC(C)NC(=O)Cn1cc(Br)nc1Br ZINC000223302848 443088193 /nfs/dbraw/zinc/08/81/93/443088193.db2.gz TVGBVMNLEICHLL-UHFFFAOYSA-N 0 0 325.004 1.933 10 0 EDAERN Cc1cc(CNC(=O)c2ccc(F)cc2F)nc(N2CCOCC2)n1 ZINC000224227476 443098017 /nfs/dbraw/zinc/09/80/17/443098017.db2.gz JUPBWKTZJKRRBE-UHFFFAOYSA-N 0 0 348.353 1.830 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)C1 ZINC000190250966 443076863 /nfs/dbraw/zinc/07/68/63/443076863.db2.gz QGDSYRJSNMYBHO-LBPRGKRZSA-N 0 0 327.388 1.463 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCCCn3ccnc3)CCO2)cn1 ZINC000190257452 443077642 /nfs/dbraw/zinc/07/76/42/443077642.db2.gz VIRPDEQAWXRVEE-HNNXBMFYSA-N 0 0 332.408 1.273 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 ZINC000184833307 443083117 /nfs/dbraw/zinc/08/31/17/443083117.db2.gz QHZJETRQHGJXFY-WMZOPIPTSA-N 0 0 348.491 1.609 10 0 EDAERN Cc1csc2nc(CN3CCOC[C@H]3c3nc(C)no3)cc(=O)n12 ZINC000185081816 443132512 /nfs/dbraw/zinc/13/25/12/443132512.db2.gz TVTINCJCVHHGBQ-LBPRGKRZSA-N 0 0 347.400 1.329 10 0 EDAERN Cc1ccccc1C[C@H](CO)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000190552561 443135320 /nfs/dbraw/zinc/13/53/20/443135320.db2.gz ZWNNXKZTSIUQCI-UKRRQHHQSA-N 0 0 330.384 1.426 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)Cc2ccc(O)cc2)CC1 ZINC000184947813 443105084 /nfs/dbraw/zinc/10/50/84/443105084.db2.gz DLVICFWUHSNQAQ-ZBFHGGJFSA-N 0 0 335.448 1.421 10 0 EDAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000190461817 443113070 /nfs/dbraw/zinc/11/30/70/443113070.db2.gz PHEPHNPMHGOQPE-ZDUSSCGKSA-N 0 0 332.400 1.322 10 0 EDAERN Cc1nn(C)c(N)c1[C@@]1(O)c2cc(Br)ccc2NC1=O ZINC000227173499 443122947 /nfs/dbraw/zinc/12/29/47/443122947.db2.gz TZLCWSPPYSVJNG-ZDUSSCGKSA-N 0 0 337.177 1.261 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)C(=O)[O-] ZINC000185050581 443126015 /nfs/dbraw/zinc/12/60/15/443126015.db2.gz FXRUUXUNLZYKPE-GFCCVEGCSA-N 0 0 336.417 1.774 10 0 EDAERN CCS(=O)(=O)CCCCCN1CCC(Nc2cccnn2)CC1 ZINC000190520753 443126245 /nfs/dbraw/zinc/12/62/45/443126245.db2.gz DVCMNNIYNRXZET-UHFFFAOYSA-N 0 0 340.493 1.958 10 0 EDAERN CCOc1cc2c(cc1/C=C/C(=O)N1CC(NC(C)=O)C1)O[C@H](C)C2 ZINC000190522865 443126687 /nfs/dbraw/zinc/12/66/87/443126687.db2.gz VHEFFYGNKKILSE-BTDICHCPSA-N 0 0 344.411 1.769 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)[O-] ZINC000185058280 443127147 /nfs/dbraw/zinc/12/71/47/443127147.db2.gz DRJWUNNYIKIGRS-MRXNPFEDSA-N 0 0 333.432 1.487 10 0 EDAERN COc1ccnc(CN2CCCN(Cc3cnn(C)c3)CC2)c1OC ZINC000190525720 443128737 /nfs/dbraw/zinc/12/87/37/443128737.db2.gz UBPKPJQHXKEQGA-UHFFFAOYSA-N 0 0 345.447 1.540 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(SC)ccc2Cl)C1 ZINC000185282579 443176334 /nfs/dbraw/zinc/17/63/34/443176334.db2.gz QJUDWVHIXKIQQJ-UHFFFAOYSA-N 0 0 328.821 1.649 10 0 EDAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)no3)CCO2)cn1 ZINC000190763857 443179638 /nfs/dbraw/zinc/17/96/38/443179638.db2.gz YGMPHGKUSXQGAL-JSGCOSHPSA-N 0 0 333.392 1.600 10 0 EDAERN CCn1cc([C@@H]2CN(Cc3cc(=O)n4ccsc4n3)CCO2)cn1 ZINC000190768497 443180171 /nfs/dbraw/zinc/18/01/71/443180171.db2.gz BUFFGKISIZDQDG-AWEZNQCLSA-N 0 0 345.428 1.546 10 0 EDAERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185187959 443157668 /nfs/dbraw/zinc/15/76/68/443157668.db2.gz VGGGLADPCGGYQD-NEPJUHHUSA-N 0 0 347.242 1.379 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C ZINC000191131375 443246624 /nfs/dbraw/zinc/24/66/24/443246624.db2.gz UHAJULWLDGLXOC-UHFFFAOYSA-N 0 0 331.416 1.942 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC000185753973 443251713 /nfs/dbraw/zinc/25/17/13/443251713.db2.gz QAQNQGXZPCEHGM-CQSZACIVSA-N 0 0 347.459 1.897 10 0 EDAERN C[C@@H](CNC(=O)N1CCCNC(=O)[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000191170129 443252226 /nfs/dbraw/zinc/25/22/26/443252226.db2.gz IVSUSXWBEYNOGE-LSDHHAIUSA-N 0 0 344.459 1.353 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1N(C)C ZINC000245931530 443258589 /nfs/dbraw/zinc/25/85/89/443258589.db2.gz SNEHCQBUPCVNHK-CZUORRHYSA-N 0 0 346.475 1.844 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCN1c2ccccc2C[C@H]1C)C(C)C ZINC000246173177 443275152 /nfs/dbraw/zinc/27/51/52/443275152.db2.gz HXJORBOXHMPHOJ-CZUORRHYSA-N 0 0 332.448 1.507 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191339393 443280788 /nfs/dbraw/zinc/28/07/88/443280788.db2.gz XZOGLFVTAMOTBU-UHFFFAOYSA-N 0 0 345.495 1.701 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000185927000 443285370 /nfs/dbraw/zinc/28/53/70/443285370.db2.gz VAPLVAGPMRIFFS-MFKMUULPSA-N 0 0 326.343 1.770 10 0 EDAERN CCOc1ccc(OC[C@H](O)CN2CC(NC(=O)C3CCC3)C2)cc1 ZINC000185933588 443286627 /nfs/dbraw/zinc/28/66/27/443286627.db2.gz XWAHDLSJQDUTSS-MRXNPFEDSA-N 0 0 348.443 1.426 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)[C@H](C)OCc3ccccc3)CCO2)[nH]1 ZINC000185965553 443291490 /nfs/dbraw/zinc/29/14/90/443291490.db2.gz UWFLQQQLZJBONZ-SWLSCSKDSA-N 0 0 330.388 1.618 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191499621 443304403 /nfs/dbraw/zinc/30/44/03/443304403.db2.gz FWWKWDGKOBANNY-OAHLLOKOSA-N 0 0 349.479 1.574 10 0 EDAERN CCC(CC)c1cc(C(=O)N2CCO[C@@H](c3nncn3C)C2)on1 ZINC000328639216 444407699 /nfs/dbraw/zinc/40/76/99/444407699.db2.gz WTDGACHXRXZULO-CQSZACIVSA-N 0 0 333.392 1.920 10 0 EDAERN Cc1ncsc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328649863 444414342 /nfs/dbraw/zinc/41/43/42/444414342.db2.gz VGXNYQALNYVMMR-KBPBESRZSA-N 0 0 349.435 1.926 10 0 EDAERN Cc1cc[nH]c(=O)c1C(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000328609069 444392777 /nfs/dbraw/zinc/39/27/77/444392777.db2.gz CEJHCZDYEYNFAX-LLVKDONJSA-N 0 0 332.360 1.816 10 0 EDAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)[C@H](C)CSC)cn1 ZINC000328620909 444397407 /nfs/dbraw/zinc/39/74/07/444397407.db2.gz HKEKPATYEHMGLA-YPMHNXCESA-N 0 0 345.490 1.200 10 0 EDAERN Cc1cc(CC(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)[nH]n1 ZINC000328623291 444398624 /nfs/dbraw/zinc/39/86/24/444398624.db2.gz BWBXHGOJGPNRCD-CYBMUJFWSA-N 0 0 328.420 1.731 10 0 EDAERN CSc1ccc(S(N)(=O)=O)c(I)c1F ZINC000575706170 447881917 /nfs/dbraw/zinc/88/19/17/447881917.db2.gz WDGJQFOZCFHHQU-UHFFFAOYSA-N 0 0 347.174 1.800 10 0 EDAERN CC(C)Oc1nccnc1N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616882 448443092 /nfs/dbraw/zinc/44/30/92/448443092.db2.gz QSWJBUPMSXOVCW-KRWDZBQOSA-N 0 0 346.435 1.924 10 0 EDAERN O[C@]1(c2cn[nH]n2)CCCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000583617894 448446305 /nfs/dbraw/zinc/44/63/05/448446305.db2.gz GUVVOTPUXAXVRF-CYBMUJFWSA-N 0 0 328.203 1.990 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)NC[C@H]2CCCS2)CCO1 ZINC000583621491 448452068 /nfs/dbraw/zinc/45/20/68/448452068.db2.gz SDDCSJNJEHOTAF-VXGBXAGGSA-N 0 0 325.438 1.277 10 0 EDAERN CCN(CC)Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000536956980 448549337 /nfs/dbraw/zinc/54/93/37/448549337.db2.gz CFOWPUGUAGAHQO-UHFFFAOYSA-N 0 0 338.456 1.704 10 0 EDAERN CO[C@@]1(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)CCOC1 ZINC000567165116 448627911 /nfs/dbraw/zinc/62/79/11/448627911.db2.gz YFNWCNODARSWIU-INIZCTEOSA-N 0 0 328.328 1.962 10 0 EDAERN CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2[C@@H](O)[C@@H]2OC(C)(C)O[C@H]21 ZINC000575231891 449065246 /nfs/dbraw/zinc/06/52/46/449065246.db2.gz VPKJZKUJGTXJPV-SWYYREQYSA-N 0 0 332.393 1.169 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1n[nH]cc1Br ZINC000597767577 450243079 /nfs/dbraw/zinc/24/30/79/450243079.db2.gz OOFSUIYGSBYUGG-SSDOTTSWSA-N 0 0 341.165 1.200 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCn3cc(Cl)cn3)C[C@@H](C)O2)o1 ZINC000619287681 450446501 /nfs/dbraw/zinc/44/65/01/450446501.db2.gz NWCLWVFDTAKNBY-BXKDBHETSA-N 0 0 339.783 1.607 10 0 EDAERN CCn1cc(O[C@@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@H]2O)cn1 ZINC000625617542 450453260 /nfs/dbraw/zinc/45/32/60/450453260.db2.gz GLKDIUDWOGWACD-CRAIPNDOSA-N 0 0 345.399 1.298 10 0 EDAERN CCOC(=O)c1ccccc1[C@H]1CCCCCN1S(N)(=O)=O ZINC000616625730 450455528 /nfs/dbraw/zinc/45/55/28/450455528.db2.gz WPWQZKLOUCGIIR-CQSZACIVSA-N 0 0 326.418 1.984 10 0 EDAERN CCOC(=O)c1cccc([C@H]2CCOCCN2S(C)(=O)=O)c1 ZINC000616656534 450457974 /nfs/dbraw/zinc/45/79/74/450457974.db2.gz DIAHLSVDHMDHRH-CQSZACIVSA-N 0 0 327.402 1.586 10 0 EDAERN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616768936 450479825 /nfs/dbraw/zinc/47/98/25/450479825.db2.gz RZANVYLBDKUHKD-MDZLAQPJSA-N 0 0 340.305 1.710 10 0 EDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CCC(=O)[O-] ZINC000635519906 451017245 /nfs/dbraw/zinc/01/72/45/451017245.db2.gz BYBUHRHJQWNENY-GDBMZVCRSA-N 0 0 333.432 1.871 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cnn4ccc(C)nc34)C[C@@H](C)O2)n1 ZINC000628857339 451440792 /nfs/dbraw/zinc/44/07/92/451440792.db2.gz MGDKAGKLCFXIGE-ZWNOBZJWSA-N 0 0 342.359 1.331 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)CCc3cnn(C)c3C)C[C@@H](C)O2)n1 ZINC000628858387 451441691 /nfs/dbraw/zinc/44/16/91/451441691.db2.gz UIFLZKITTPWIKY-QMTHXVAHSA-N 0 0 333.392 1.341 10 0 EDAERN NC(=O)c1cn([C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)nn1 ZINC000643759002 452592593 /nfs/dbraw/zinc/59/25/93/452592593.db2.gz NSKSTZRQIPCIEV-MRVPVSSYSA-N 0 0 326.282 1.242 10 0 EDAERN Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000220596496 486749624 /nfs/dbraw/zinc/74/96/24/486749624.db2.gz HSCRBTMCXXPYNC-JTQLQIEISA-N 0 0 334.401 1.109 10 0 EDAERN O=C1C(Cl)=C(Cl)C(=O)N1N1C(=O)C(Cl)=C(Cl)C1=O ZINC000196540058 485731964 /nfs/dbraw/zinc/73/19/64/485731964.db2.gz XHFGAZCVJMEWRT-UHFFFAOYSA-N 0 0 329.910 1.017 10 0 EDAERN C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)N1CCOCC1 ZINC000249703824 486119036 /nfs/dbraw/zinc/11/90/36/486119036.db2.gz LBAPCEBEIJNKJY-NXHRZFHOSA-N 0 0 332.444 1.991 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnc(C2CC2)nc1 ZINC000134932061 491226536 /nfs/dbraw/zinc/22/65/36/491226536.db2.gz IKEVZKLNOIQDSY-GFCCVEGCSA-N 0 0 343.391 1.749 10 0 EDAERN COC(=O)N[C@@H]1CCN(c2ncc(N)c(C)c2Br)C1 ZINC000165613700 534171883 /nfs/dbraw/zinc/17/18/83/534171883.db2.gz KRRQAEQAOZFOLJ-MRVPVSSYSA-N 0 0 329.198 1.669 10 0 EDAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(N)c1Br ZINC000158936592 534215658 /nfs/dbraw/zinc/21/56/58/534215658.db2.gz CGUXHAOTQRJIAL-BDAKNGLRSA-N 0 0 340.221 1.757 10 0 EDAERN NC(=O)NCCNc1ncc(Br)cc1Br ZINC000164017772 534396010 /nfs/dbraw/zinc/39/60/10/534396010.db2.gz FATATMWIZCPTAN-UHFFFAOYSA-N 0 0 338.003 1.687 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc4nnn(C)c4c3)C2)no1 ZINC000183764350 534414058 /nfs/dbraw/zinc/41/40/58/534414058.db2.gz UIZQNHYOWYMSDZ-GFCCVEGCSA-N 0 0 340.387 1.755 10 0 EDAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165874465 534456238 /nfs/dbraw/zinc/45/62/38/534456238.db2.gz SHXGJQBRLLTGEO-SSDOTTSWSA-N 0 0 338.216 1.214 10 0 EDAERN O=C(CNC(=O)N[C@@H]1CCCn2ncnc21)Nc1cccc(F)c1 ZINC000177343050 534570830 /nfs/dbraw/zinc/57/08/30/534570830.db2.gz LFMUSFMJVCVMDM-GFCCVEGCSA-N 0 0 332.339 1.190 10 0 EDAERN O=c1[n-]cnc(N2CCC([NH2+]CC3CC3)CC2)c1Br ZINC000164479969 534890003 /nfs/dbraw/zinc/89/00/03/534890003.db2.gz SFOYTFFSXJBTQB-UHFFFAOYSA-N 0 0 327.226 1.501 10 0 EDAERN C[C@H](CC(=O)Nc1cccnc1N1CCOCC1)N1CCCCC1=O ZINC000188728350 526249233 /nfs/dbraw/zinc/24/92/33/526249233.db2.gz FNLCUMKLTBYWEL-CQSZACIVSA-N 0 0 346.431 1.648 10 0 EDAERN CC(=O)N1CCN(C(=O)c2cc(N)cc(Br)c2)CC1 ZINC000165129276 526620764 /nfs/dbraw/zinc/62/07/64/526620764.db2.gz YTWFFTLWNSVKOM-UHFFFAOYSA-N 0 0 326.194 1.336 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000189826226 526708133 /nfs/dbraw/zinc/70/81/33/526708133.db2.gz AOCPWCZZLXAHJW-UHFFFAOYSA-N 0 0 345.321 1.658 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000190244193 526711470 /nfs/dbraw/zinc/71/14/70/526711470.db2.gz ZKZLCINAURPYAN-GFCCVEGCSA-N 0 0 341.415 1.772 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000151428099 526900577 /nfs/dbraw/zinc/90/05/77/526900577.db2.gz PHXOLRAASHEJIA-LBPRGKRZSA-N 0 0 345.321 1.763 10 0 EDAERN CC(=O)c1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n(C)c1 ZINC000154334897 527202207 /nfs/dbraw/zinc/20/22/07/527202207.db2.gz PXXMLFWYSQBPNK-SNVBAGLBSA-N 0 0 349.412 1.366 10 0 EDAERN CC(=O)c1ccc(Cl)c(NC(=O)CCn2ccc(=O)[nH]c2=O)c1 ZINC000170576356 527282390 /nfs/dbraw/zinc/28/23/90/527282390.db2.gz SJSYKKPKPTZMSQ-UHFFFAOYSA-N 0 0 335.747 1.421 10 0 EDAERN CCOC(=O)[C@H](c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171930218 528048787 /nfs/dbraw/zinc/04/87/87/528048787.db2.gz ZXIJKLNSSXVCFA-IRXDYDNUSA-N 0 0 329.400 1.888 10 0 EDAERN CCNC(=O)[C@H]1COCCN1Cc1c(N)cccc1Br ZINC000159341616 528222531 /nfs/dbraw/zinc/22/25/31/528222531.db2.gz JZRBDBSEDDPTNT-CYBMUJFWSA-N 0 0 342.237 1.368 10 0 EDAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cn1 ZINC000177554922 528310012 /nfs/dbraw/zinc/31/00/12/528310012.db2.gz NFDPENLXEHEFPY-HIFRSBDPSA-N 0 0 348.447 1.534 10 0 EDAERN CC(C)[C@@H](C)NC(=O)Cn1cnc(Cl)c(Br)c1=O ZINC000164868680 528415752 /nfs/dbraw/zinc/41/57/52/528415752.db2.gz LIMAPCGBGGHJKH-SSDOTTSWSA-N 0 0 336.617 1.820 10 0 EDAERN CCNc1cc(C(=O)NC[C@H]2CCCS2(=O)=O)cc(Cl)n1 ZINC000155477235 528424596 /nfs/dbraw/zinc/42/45/96/528424596.db2.gz BJIVTOGCDPXBJD-SNVBAGLBSA-N 0 0 331.825 1.474 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CCN(C[C@@H](O)CC)CC2)c1 ZINC000133077939 528456253 /nfs/dbraw/zinc/45/62/53/528456253.db2.gz ZDTHERGLIUGYIO-KRWDZBQOSA-N 0 0 347.459 1.355 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCc1cn2ccccc2n1 ZINC000184215422 528476725 /nfs/dbraw/zinc/47/67/25/528476725.db2.gz JUQKVRXFXJVQHC-MRXNPFEDSA-N 0 0 330.432 1.494 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000176567894 528703280 /nfs/dbraw/zinc/70/32/80/528703280.db2.gz NBXMJMXUXDHNRY-RKNYENMMSA-N 0 0 349.460 1.550 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000137661241 528839613 /nfs/dbraw/zinc/83/96/13/528839613.db2.gz XQIHSNFGRVZZRY-ZIAGYGMSSA-N 0 0 336.440 1.320 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1C ZINC000173815538 528873223 /nfs/dbraw/zinc/87/32/23/528873223.db2.gz FLJJCLCCLRUCPP-OAHLLOKOSA-N 0 0 343.383 1.513 10 0 EDAERN CCCCc1noc([C@H](C)[S@](=O)Cc2nnnn2C(C)C)n1 ZINC000176514465 529065791 /nfs/dbraw/zinc/06/57/91/529065791.db2.gz WFPHBPGGGWXGOP-MLMJSJRWSA-N 0 0 326.426 1.990 10 0 EDAERN CCCCn1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c(C)n1 ZINC000184482050 529075004 /nfs/dbraw/zinc/07/50/04/529075004.db2.gz FUMJKUXMBSUZRX-HNNXBMFYSA-N 0 0 331.420 1.729 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000159004702 529171669 /nfs/dbraw/zinc/17/16/69/529171669.db2.gz PWCVAMRZWGALKY-DZGCQCFKSA-N 0 0 338.473 1.939 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 ZINC000189608638 529228241 /nfs/dbraw/zinc/22/82/41/529228241.db2.gz BTYQIUULVXEPJZ-CQSZACIVSA-N 0 0 331.416 1.705 10 0 EDAERN CC[C@@H]1C(=O)N[C@@H](CC)C(=O)N1Cc1ccc(Br)cn1 ZINC000168889219 529266436 /nfs/dbraw/zinc/26/64/36/529266436.db2.gz IIBJKJJOMHSZTN-NWDGAFQWSA-N 0 0 340.221 1.860 10 0 EDAERN CC[C@H](CC(=O)N1CC(NC(=O)COC)C1)c1ccc(OC)cc1 ZINC000185267393 529301861 /nfs/dbraw/zinc/30/18/61/529301861.db2.gz CQIVRMFXJSWGJC-CYBMUJFWSA-N 0 0 334.416 1.552 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H](C)CN1CCCC1=O)CC2 ZINC000181499535 535024104 /nfs/dbraw/zinc/02/41/04/535024104.db2.gz BZIILSQXARHDDJ-OLZOCXBDSA-N 0 0 348.451 1.026 10 0 EDAERN CCCNC(=O)N1CCN(c2ccc(OC)cc2OC)C(=O)[C@@H]1C ZINC000037523015 535084941 /nfs/dbraw/zinc/08/49/41/535084941.db2.gz ONVJIJMWWBEYOZ-LBPRGKRZSA-N 0 0 335.404 1.861 10 0 EDAERN CC1=C(C(=O)N2CCC[C@H](n3cncn3)C2)[C@@H](C)n2ncnc2N1C ZINC000192210536 535218292 /nfs/dbraw/zinc/21/82/92/535218292.db2.gz YCDZSBCKYJMEFU-OLZOCXBDSA-N 0 0 342.407 1.018 10 0 EDAERN CC(C)c1ccc(N2C[C@@H](CNS(C)(=O)=O)OCC2=O)cc1 ZINC000041418900 535372540 /nfs/dbraw/zinc/37/25/40/535372540.db2.gz JEUYVXRTKKOHEE-CQSZACIVSA-N 0 0 326.418 1.091 10 0 EDAERN CC(C)C(=O)N1CCC(C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000135780678 535372563 /nfs/dbraw/zinc/37/25/63/535372563.db2.gz RFEZRSXQBZTJDJ-KRWDZBQOSA-N 0 0 345.443 1.956 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000248444738 535987973 /nfs/dbraw/zinc/98/79/73/535987973.db2.gz BRPDDGVGLLCASR-BZSNNMDCSA-N 0 0 331.460 1.888 10 0 EDAERN CN[C@@H](C(=O)Nc1cc2c(cc1Cl)OCCO2)c1cnn(C)c1 ZINC000262008602 536337989 /nfs/dbraw/zinc/33/79/89/536337989.db2.gz BSHLQQFIPLOWAP-CQSZACIVSA-N 0 0 336.779 1.744 10 0 EDAERN CN[C@H](C(=O)NCc1nc(-c2ccncc2)cs1)c1cnn(C)c1 ZINC000262398511 536384291 /nfs/dbraw/zinc/38/42/91/536384291.db2.gz PGVAYSGFCHRUMB-HNNXBMFYSA-N 0 0 342.428 1.516 10 0 EDAERN CN(C[C@@H](O)C(F)(F)F)C[C@H](c1cccs1)N1CCOCC1 ZINC000248549752 536416527 /nfs/dbraw/zinc/41/65/27/536416527.db2.gz GBGSICQMSGWUMK-DGCLKSJQSA-N 0 0 338.395 1.976 10 0 EDAERN CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2nc(N)c3ccccc3n2)C1 ZINC000779873624 580500435 /nfs/dbraw/zinc/50/04/35/580500435.db2.gz LIHWJWVHNLQMMW-ZWNOBZJWSA-N 0 0 326.360 1.870 10 0 EDAERN Cc1cc(C)n(C2CN(c3nc4ccccc4c(=O)n3CCO)C2)n1 ZINC000892397576 591010425 /nfs/dbraw/zinc/01/04/25/591010425.db2.gz XIWGIMPIFLXMFQ-UHFFFAOYSA-N 0 0 339.399 1.263 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2cccc(Br)n2)C1 ZINC000220196294 591017042 /nfs/dbraw/zinc/01/70/42/591017042.db2.gz OUZXVJIFYOJHCI-JTQLQIEISA-N 0 0 328.210 1.295 10 0 EDAERN O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CC(Cc2ccco2)C1 ZINC000888095190 591025173 /nfs/dbraw/zinc/02/51/73/591025173.db2.gz MFIZFQJMDNLTHE-ZDUSSCGKSA-N 0 0 331.372 1.149 10 0 EDAERN Cc1nc(C)c(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)nc1C ZINC000888094995 591025196 /nfs/dbraw/zinc/02/51/96/591025196.db2.gz IUKSZKBRTBXJRQ-LSDHHAIUSA-N 0 0 329.404 1.865 10 0 EDAERN COc1cccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1F ZINC000888095584 591027000 /nfs/dbraw/zinc/02/70/00/591027000.db2.gz RSGFCQRGZSUIPP-RBOXIYTFSA-N 0 0 336.363 1.390 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CCc2cnn(C)c2)C1 ZINC000888103096 591031233 /nfs/dbraw/zinc/03/12/33/591031233.db2.gz GLWZWEYBXMVPBC-CABCVRRESA-N 0 0 331.420 1.681 10 0 EDAERN COC(=O)c1nc(N2C[C@H](OC)C[C@H]2c2nnc(C)[nH]2)ccc1C ZINC000893768147 591090113 /nfs/dbraw/zinc/09/01/13/591090113.db2.gz LLUJVDKTRAOEEG-NEPJUHHUSA-N 0 0 331.376 1.570 10 0 EDAERN O=C(CC[C@@H]1CCC(=O)N1)NCc1cccnc1N1CCCCC1 ZINC000898686757 591478316 /nfs/dbraw/zinc/47/83/16/591478316.db2.gz IKXIIZDQFOCFFI-OAHLLOKOSA-N 0 0 330.432 1.747 10 0 EDAERN O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899086021 591678772 /nfs/dbraw/zinc/67/87/72/591678772.db2.gz XAWDAVZCRYBMKK-CHWSQXEVSA-N 0 0 342.403 1.470 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)[C@@H]1Cn2c(C)nnc2CN1 ZINC000818117236 593670275 /nfs/dbraw/zinc/67/02/75/593670275.db2.gz AGQATQQYPBKUMX-LBPRGKRZSA-N 0 0 335.795 1.037 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC2(C1)OCCO2 ZINC000104121899 594841715 /nfs/dbraw/zinc/84/17/15/594841715.db2.gz AYIWKRGTVQWHCM-GOEBONIOSA-N 0 0 346.427 1.807 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000115390020 595563237 /nfs/dbraw/zinc/56/32/37/595563237.db2.gz FAINRNZGDIJQMB-CYBMUJFWSA-N 0 0 345.274 1.875 10 0 EDAERN C[C@]1(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)CC(c2ccccc2)=NO1 ZINC000857299513 596207966 /nfs/dbraw/zinc/20/79/66/596207966.db2.gz KDQWFZMNIQNTKN-GRZALLJUSA-N 0 0 340.383 1.257 10 0 EDAERN Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)CC4=CCCCC4)C3)C2)n1 ZINC000864678423 596305208 /nfs/dbraw/zinc/30/52/08/596305208.db2.gz JXLNRGQLNMVKFG-AWEZNQCLSA-N 0 0 344.415 1.795 10 0 EDAERN C[C@@H](O)c1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000128754640 598049223 /nfs/dbraw/zinc/04/92/23/598049223.db2.gz HWJFQRLAVCEUOM-CYBMUJFWSA-N 0 0 332.379 1.424 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)N(CCS(C)(=O)=O)C(C)C ZINC000130253608 598076123 /nfs/dbraw/zinc/07/61/23/598076123.db2.gz IHWYRUQKJYNBNC-CQSZACIVSA-N 0 0 335.514 1.427 10 0 EDAERN C[C@@H](OC(=O)Cn1ncn(C)c1=O)c1ccccc1C(F)(F)F ZINC000154054650 696678862 /nfs/dbraw/zinc/67/88/62/696678862.db2.gz OOTVDTSFHQOTCG-SECBINFHSA-N 0 0 329.278 1.905 10 0 EDAERN CNc1ncc(C(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)s1 ZINC000154748498 697177182 /nfs/dbraw/zinc/17/71/82/697177182.db2.gz OEJCELLXHMMHAE-VIFPVBQESA-N 0 0 336.421 1.395 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)c1ccsc1 ZINC000175369314 697738718 /nfs/dbraw/zinc/73/87/18/697738718.db2.gz WVDAOUVFDAFPLL-OLZOCXBDSA-N 0 0 346.474 1.102 10 0 EDAERN Cn1cc([C@H]2[C@@H](C(=O)OCC(C)(C)CC#N)CCC(=O)N2C)cn1 ZINC000184764767 698185582 /nfs/dbraw/zinc/18/55/82/698185582.db2.gz DTNITAQQUINHRR-ZFWWWQNUSA-N 0 0 332.404 1.813 10 0 EDAERN Cc1cc(Cl)ncc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000182074301 700384931 /nfs/dbraw/zinc/38/49/31/700384931.db2.gz JVDWEZTVLLTHNT-VXGBXAGGSA-N 0 0 326.828 1.962 10 0 EDAERN O=C(NCCCn1ccnn1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000182467194 700818289 /nfs/dbraw/zinc/81/82/89/700818289.db2.gz VJQDXNJBJNJBCK-SJORKVTESA-N 0 0 343.431 1.966 10 0 EDAERN CCOCCONC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000186025168 701149931 /nfs/dbraw/zinc/14/99/31/701149931.db2.gz PMAOISSDVNXHIP-UHFFFAOYSA-N 0 0 328.438 1.247 10 0 EDAERN O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000186142520 701882403 /nfs/dbraw/zinc/88/24/03/701882403.db2.gz GIXUHTWTRUWHQL-ZBFHGGJFSA-N 0 0 328.372 1.268 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC)CC1 ZINC000050123155 214046740 /nfs/dbraw/zinc/04/67/40/214046740.db2.gz HSDMSPZHHCVZRF-NVXWUHKLSA-N 0 0 331.460 1.995 10 0 EDAERN O=C([O-])c1cc(Br)ccc1NC(=O)N1CCC[NH2+]CC1 ZINC000050208874 214051022 /nfs/dbraw/zinc/05/10/22/214051022.db2.gz AVPIDRCLOBXMAR-UHFFFAOYSA-N 0 0 342.193 1.975 10 0 EDAERN CC[C@@H](C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000050651404 214063427 /nfs/dbraw/zinc/06/34/27/214063427.db2.gz DLMDSGPGDOYUHL-SNVBAGLBSA-N 0 0 334.463 1.551 10 0 EDAERN CCCN1CCN(C(=O)c2cc(Br)cnc2N)CC1 ZINC000050696469 214066882 /nfs/dbraw/zinc/06/68/82/214066882.db2.gz BZODEHHXAAYIMC-UHFFFAOYSA-N 0 0 327.226 1.594 10 0 EDAERN COCC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000052809541 214147098 /nfs/dbraw/zinc/14/70/98/214147098.db2.gz OCPANYOIHGGHFI-VIFPVBQESA-N 0 0 331.166 1.450 10 0 EDAERN O=S(=O)(NC1(CO)CCCC1)c1c(Cl)nc2ccccn21 ZINC000053071765 214162967 /nfs/dbraw/zinc/16/29/67/214162967.db2.gz GZPQXBJFQZHWLR-UHFFFAOYSA-N 0 0 329.809 1.571 10 0 EDAERN NC(=S)CCNS(=O)(=O)c1ccc(Br)s1 ZINC000054154234 214220698 /nfs/dbraw/zinc/22/06/98/214220698.db2.gz MQMYVEZGLIWNRL-UHFFFAOYSA-N 0 0 329.266 1.465 10 0 EDAERN C[C@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=S ZINC000054154332 214221190 /nfs/dbraw/zinc/22/11/90/214221190.db2.gz WPSPEWAFBQWTDT-SSDOTTSWSA-N 0 0 326.365 1.906 10 0 EDAERN CCN(Cc1ccc(Br)s1)C(=O)c1nc(N)n[nH]1 ZINC000055167088 214281497 /nfs/dbraw/zinc/28/14/97/214281497.db2.gz MSPNHRVABPEWJU-UHFFFAOYSA-N 0 0 330.211 1.873 10 0 EDAERN COc1ccc([C@H](C)NC(=O)c2nc(N)n[nH]2)cc1Br ZINC000055166456 214282323 /nfs/dbraw/zinc/28/23/23/214282323.db2.gz DKLSKKRKNCYXAB-LURJTMIESA-N 0 0 340.181 1.649 10 0 EDAERN CCS(=O)(=O)Nc1ccc(NC(=O)c2csc(N)n2)cc1 ZINC000055187038 214285714 /nfs/dbraw/zinc/28/57/14/214285714.db2.gz YTRXQXOBSWDRCJ-UHFFFAOYSA-N 0 0 326.403 1.739 10 0 EDAERN CC[C@]1(C)C(=O)N[C@@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168879725 529391845 /nfs/dbraw/zinc/39/18/45/529391845.db2.gz BZEZUEUGFLUJEP-LKFCYVNXSA-N 0 0 340.221 1.860 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)Cc3ccc(F)cc3)CCO2)[nH]1 ZINC000173736982 231018534 /nfs/dbraw/zinc/01/85/34/231018534.db2.gz QRYCYYUOLSUNLT-CYBMUJFWSA-N 0 0 340.380 1.156 10 0 EDAERN C[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@H]1N1CCOCC1 ZINC000173868591 231056234 /nfs/dbraw/zinc/05/62/34/231056234.db2.gz LWTAOFJQHGZLSP-WMLDXEAASA-N 0 0 341.415 1.060 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1N1CCOCC1 ZINC000173827252 231045306 /nfs/dbraw/zinc/04/53/06/231045306.db2.gz GOBSRBDZFQUZRJ-WCQYABFASA-N 0 0 343.349 1.893 10 0 EDAERN O=S(=O)(C1=Cc2ccccc2CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173999300 231095591 /nfs/dbraw/zinc/09/55/91/231095591.db2.gz JBWCIXPQZIFJQZ-KRWDZBQOSA-N 0 0 348.468 1.710 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2=O)n(C)n1 ZINC000175007100 231365103 /nfs/dbraw/zinc/36/51/03/231365103.db2.gz FUQFSEJCWYOCIB-CQSZACIVSA-N 0 0 330.363 1.793 10 0 EDAERN Cc1cc(C(=O)N2CCC(C)CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049682702 214026551 /nfs/dbraw/zinc/02/65/51/214026551.db2.gz HARDRLIOHALTJW-CYBMUJFWSA-N 0 0 325.434 1.423 10 0 EDAERN Cc1c(C(=O)N2CCC[C@@H](C)C2)cnn1[C@@H]1CCS(=O)(=O)C1 ZINC000049658252 214025561 /nfs/dbraw/zinc/02/55/61/214025561.db2.gz MPVJICDKCZOFEG-DGCLKSJQSA-N 0 0 325.434 1.423 10 0 EDAERN CCOC(=O)c1ccc(NC(=O)c2nn3c(C)nnc3s2)cc1 ZINC000049660495 214024884 /nfs/dbraw/zinc/02/48/84/214024884.db2.gz FTUOHEDLNYLFCU-UHFFFAOYSA-N 0 0 331.357 1.923 10 0 EDAERN COc1ccc(CN2CC[NH+](CC(=O)[O-])CC2)cc1Br ZINC000049597187 214021268 /nfs/dbraw/zinc/02/12/68/214021268.db2.gz KMLAQUYERGEJSA-UHFFFAOYSA-N 0 0 343.221 1.660 10 0 EDAERN CC[C@H](O)CN1CCN(S(=O)(=O)Cc2ccc(C)c(F)c2)CC1 ZINC000184237475 529701509 /nfs/dbraw/zinc/70/15/09/529701509.db2.gz DODLMHBCOSETIJ-HNNXBMFYSA-N 0 0 344.452 1.352 10 0 EDAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153864152 529703713 /nfs/dbraw/zinc/70/37/13/529703713.db2.gz QVTHLAJHLWATNX-ZDUSSCGKSA-N 0 0 348.451 1.367 10 0 EDAERN COC(=O)[C@H]1C[C@@H](Oc2cccc(I)c2)CN1 ZINC000098088833 219082347 /nfs/dbraw/zinc/08/23/47/219082347.db2.gz VHAWMGPYKHHFSN-GHMZBOCLSA-N 0 0 347.152 1.574 10 0 EDAERN CCc1ccc([C@@H](COC)NC(=O)N2CC(NC(=O)C3CC3)C2)o1 ZINC000187277336 529710295 /nfs/dbraw/zinc/71/02/95/529710295.db2.gz XDAYIEJLVBWBRB-CQSZACIVSA-N 0 0 335.404 1.450 10 0 EDAERN Cc1nnc(N2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)o1 ZINC000062123033 214699663 /nfs/dbraw/zinc/69/96/63/214699663.db2.gz AUIMNCUDPDMQDH-UHFFFAOYSA-N 0 0 330.363 1.898 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2ccc(C(N)=O)nc2)C1 ZINC000164292762 529760245 /nfs/dbraw/zinc/76/02/45/529760245.db2.gz WQGTYFACMHLDMQ-CYBMUJFWSA-N 0 0 342.403 1.808 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(N(C)C)n1 ZINC000181939573 529750587 /nfs/dbraw/zinc/75/05/87/529750587.db2.gz SWYQPPFDHWAKKR-LLVKDONJSA-N 0 0 329.408 1.958 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(C)nn(C)c1C ZINC000157083235 529750629 /nfs/dbraw/zinc/75/06/29/529750629.db2.gz KLYRXSPPVNYMKC-LLVKDONJSA-N 0 0 338.437 1.004 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2cccc(N3CC=CC3)c2)C1 ZINC000174749387 529789365 /nfs/dbraw/zinc/78/93/65/529789365.db2.gz VBWHLJNUVCWUKN-QGZVFWFLSA-N 0 0 330.432 1.193 10 0 EDAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCNC(=O)C1 ZINC000178232898 295711388 /nfs/dbraw/zinc/71/13/88/295711388.db2.gz SBAYKFOSEOXGNF-CQSZACIVSA-N 0 0 329.400 1.964 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000166717091 529901593 /nfs/dbraw/zinc/90/15/93/529901593.db2.gz IZONOMIUOXSKSU-NSHDSACASA-N 0 0 327.743 1.155 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000166847108 529901741 /nfs/dbraw/zinc/90/17/41/529901741.db2.gz DMUFXTNGNPXOPC-NSHDSACASA-N 0 0 345.733 1.294 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000158114468 529902260 /nfs/dbraw/zinc/90/22/60/529902260.db2.gz JQTMJSADNBAIIN-HNNXBMFYSA-N 0 0 332.404 1.108 10 0 EDAERN O=C(C1CCCC1)N1CC[C@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000004260730 210153536 /nfs/dbraw/zinc/15/35/36/210153536.db2.gz ILIHUEHZUYSQRG-CVEARBPZSA-N 0 0 341.411 1.898 10 0 EDAERN Cc1nc(Br)c(Br)n1[C@H](C)[C@@H]([NH3+])C(=O)[O-] ZINC000725255862 539392545 /nfs/dbraw/zinc/39/25/45/539392545.db2.gz FGHJWAKIOKRANC-NQXXGFSBSA-N 0 0 341.003 1.689 10 0 EDAERN CN1C(=O)C[C@H](Nc2cccc(Br)c2C(N)=S)C1=O ZINC000168764219 530045163 /nfs/dbraw/zinc/04/51/63/530045163.db2.gz JSTGYOVBYLIKJV-QMMMGPOBSA-N 0 0 342.218 1.253 10 0 EDAERN Cc1cc(N(C)[C@@H]2CCS(=O)(=O)C2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226479 210147018 /nfs/dbraw/zinc/14/70/18/210147018.db2.gz YYOFFVXADMNGKM-GFCCVEGCSA-N 0 0 334.397 1.865 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000178067528 232072390 /nfs/dbraw/zinc/07/23/90/232072390.db2.gz RLOVFHJINMNXOW-GOEBONIOSA-N 0 0 343.431 1.679 10 0 EDAERN O=C1N[C@@H](c2cc3c(c(Br)c2)OCO3)N2CCOC[C@@H]12 ZINC000093883506 539525733 /nfs/dbraw/zinc/52/57/33/539525733.db2.gz CZTXOEZFKZTUOU-JOYOIKCWSA-N 0 0 341.161 1.007 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)CNc2cccc(C(N)=O)c2)cc1 ZINC000066094981 215009118 /nfs/dbraw/zinc/00/91/18/215009118.db2.gz LEDOEZSGGVANDV-UHFFFAOYSA-N 0 0 326.356 1.795 10 0 EDAERN COCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)N(C)C ZINC000066139370 215015130 /nfs/dbraw/zinc/01/51/30/215015130.db2.gz AZCIWSUNPGUKPV-UHFFFAOYSA-N 0 0 330.388 1.761 10 0 EDAERN Cc1ccc(OCC(=O)N[C@H](CO)[C@@H](O)c2ccc(N)cc2)cc1 ZINC000066142257 215016422 /nfs/dbraw/zinc/01/64/22/215016422.db2.gz AGQNFNQBMYLVMR-AEFFLSMTSA-N 0 0 330.384 1.167 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)CCC(C)C)C1 ZINC000067159142 215119301 /nfs/dbraw/zinc/11/93/01/215119301.db2.gz YAPSFAKTMPQUKK-CQSZACIVSA-N 0 0 325.453 1.446 10 0 EDAERN CCN([C@H](C)COC)S(=O)(=O)Cc1ccc(C(N)=S)cc1 ZINC000042780826 213533959 /nfs/dbraw/zinc/53/39/59/213533959.db2.gz RGSAJMGONVIKGY-LLVKDONJSA-N 0 0 330.475 1.507 10 0 EDAERN CC(C)CC(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 ZINC000067695777 215189004 /nfs/dbraw/zinc/18/90/04/215189004.db2.gz LVFXAKFZHDPQNF-UHFFFAOYSA-N 0 0 341.415 1.596 10 0 EDAERN NC(=S)c1cccc(S(=O)(=O)N(CCO)C2CCCC2)c1 ZINC000042526291 213510287 /nfs/dbraw/zinc/51/02/87/213510287.db2.gz XKMNADZCCRJQAV-UHFFFAOYSA-N 0 0 328.459 1.246 10 0 EDAERN CCN(CCC(N)=S)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042452244 213504922 /nfs/dbraw/zinc/50/49/22/213504922.db2.gz NDZFEABJAXBPSC-UHFFFAOYSA-N 0 0 330.431 1.145 10 0 EDAERN NC(=O)C1(Nc2ccc(Br)cc2)CCS(=O)(=O)CC1 ZINC000042332732 213494271 /nfs/dbraw/zinc/49/42/71/213494271.db2.gz BIGYFVJFPAFNCM-UHFFFAOYSA-N 0 0 347.234 1.294 10 0 EDAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)N[C@@H]1CCCC[C@@H]1O ZINC000103301768 219286819 /nfs/dbraw/zinc/28/68/19/219286819.db2.gz MGIXFAMMUZAPJY-KGLIPLIRSA-N 0 0 335.404 1.487 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCCC(=O)NC3CC3)C2)no1 ZINC000103306936 219287846 /nfs/dbraw/zinc/28/78/46/219287846.db2.gz UCWNRWRGZJHKMT-ZDUSSCGKSA-N 0 0 349.435 1.401 10 0 EDAERN CCc1nnc(CN[C@@H](CN2CCCC2=O)c2ccccc2)n1C ZINC000179548464 233154321 /nfs/dbraw/zinc/15/43/21/233154321.db2.gz KGPKWDNDAILIRP-HNNXBMFYSA-N 0 0 327.432 1.831 10 0 EDAERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000103381601 219294778 /nfs/dbraw/zinc/29/47/78/219294778.db2.gz HQRDRXIRSIERFZ-QWHCGFSZSA-N 0 0 334.416 1.804 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000103384190 219295438 /nfs/dbraw/zinc/29/54/38/219295438.db2.gz YRTAVKPANPWYLD-CQSZACIVSA-N 0 0 333.432 1.224 10 0 EDAERN COc1ccc(C(=O)CN2C(=O)[C@@H]3C[C@@H]3C2=O)cc1Br ZINC000068689458 215328083 /nfs/dbraw/zinc/32/80/83/215328083.db2.gz MKXGDTRKMUPQEW-DTORHVGOSA-N 0 0 338.157 1.645 10 0 EDAERN COCCNC(=O)N1CC(=O)N2CCc3ccc(Cl)cc3[C@@H]2C1 ZINC000040679641 213368577 /nfs/dbraw/zinc/36/85/77/213368577.db2.gz LAMCZNZKMKJKTQ-AWEZNQCLSA-N 0 0 337.807 1.437 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000040635197 213362871 /nfs/dbraw/zinc/36/28/71/213362871.db2.gz OKCJVFMPRQWTNX-CHWSQXEVSA-N 0 0 338.429 1.611 10 0 EDAERN Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@](C)(O)c1ccc(Cl)cc1 ZINC000040629757 213361722 /nfs/dbraw/zinc/36/17/22/213361722.db2.gz IGJDWJKOLNUUNF-CQSZACIVSA-N 0 0 343.836 1.866 10 0 EDAERN CCOC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000040617451 213358862 /nfs/dbraw/zinc/35/88/62/213358862.db2.gz AOEOMJBDFHRPQL-UHFFFAOYSA-N 0 0 346.792 1.382 10 0 EDAERN Cc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1F ZINC000181362830 234163898 /nfs/dbraw/zinc/16/38/98/234163898.db2.gz OZYZYCBCGSHSBR-ZIAGYGMSSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@@H](C(=O)Nc1cnc(N(C)C)nc1)N1C(=O)c2ccccc2C1=O ZINC000585429716 539960960 /nfs/dbraw/zinc/96/09/60/539960960.db2.gz HTEMUVKQEYUKBD-JTQLQIEISA-N 0 0 339.355 1.166 10 0 EDAERN NS(=O)(=O)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000040380886 213294814 /nfs/dbraw/zinc/29/48/14/213294814.db2.gz ZUILMFBZTOFXOK-UHFFFAOYSA-N 0 0 345.174 1.942 10 0 EDAERN COC(=O)Cn1c(CCNC(=O)c2ccncc2)nc2ccccc21 ZINC000040184237 213280714 /nfs/dbraw/zinc/28/07/14/213280714.db2.gz MDKDOFACWLSSIL-UHFFFAOYSA-N 0 0 338.367 1.577 10 0 EDAERN O=C(CCCNC(=O)C1CC1)N1CCC(Nc2cccnn2)CC1 ZINC000105814803 219539066 /nfs/dbraw/zinc/53/90/66/219539066.db2.gz JBBBTMWZBNJUJQ-UHFFFAOYSA-N 0 0 331.420 1.186 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)c2c[nH]c3ccccc23)c(=O)n(C)c1 ZINC000038492058 213211274 /nfs/dbraw/zinc/21/12/74/213211274.db2.gz OJSHBARYICYDSL-UHFFFAOYSA-N 0 0 338.367 1.821 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccn(-c2cccc(F)c2)n1 ZINC000177555401 540105081 /nfs/dbraw/zinc/10/50/81/540105081.db2.gz NDNHQNDIIUQMCJ-ZDUSSCGKSA-N 0 0 326.335 1.868 10 0 EDAERN O=C(CCN1CCCS1(=O)=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179454004 540118083 /nfs/dbraw/zinc/11/80/83/540118083.db2.gz DNUGNZUAKHKGBI-HNNXBMFYSA-N 0 0 340.420 1.745 10 0 EDAERN Cc1cc(C(=O)NC[C@H](C)N2CCOCC2)nn1-c1ccc(C)cc1 ZINC000179849746 540119932 /nfs/dbraw/zinc/11/99/32/540119932.db2.gz UFPNGBRMSWVHRD-INIZCTEOSA-N 0 0 342.443 1.940 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@@H]1C ZINC000182447344 540132210 /nfs/dbraw/zinc/13/22/10/540132210.db2.gz VNIOOOZVTPTJBI-AWEZNQCLSA-N 0 0 345.443 1.293 10 0 EDAERN C[C@@H](NCc1nnc(-c2ccco2)o1)c1ccc(S(N)(=O)=O)cc1 ZINC000182853387 540133953 /nfs/dbraw/zinc/13/39/53/540133953.db2.gz AULSIEWLKRJYAZ-SNVBAGLBSA-N 0 0 348.384 1.828 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCC(=O)NCC3CC3)CC2)cn1 ZINC000183786146 235226358 /nfs/dbraw/zinc/22/63/58/235226358.db2.gz ITXANPUUCBNHHY-UHFFFAOYSA-N 0 0 333.436 1.318 10 0 EDAERN CCOc1cnc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000186296309 540151272 /nfs/dbraw/zinc/15/12/72/540151272.db2.gz BGPUXXDIDVKWCJ-NSHDSACASA-N 0 0 330.392 1.335 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000191927578 540176386 /nfs/dbraw/zinc/17/63/86/540176386.db2.gz DPTLSNBFALJWDN-CJNGLKHVSA-N 0 0 342.399 1.803 10 0 EDAERN Cc1ccc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)nc1 ZINC000184302466 235360903 /nfs/dbraw/zinc/36/09/03/235360903.db2.gz WNYGFJZXGFZTHY-UHFFFAOYSA-N 0 0 328.420 1.863 10 0 EDAERN Cc1nnc2n1CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2 ZINC000074815950 138239539 /nfs/dbraw/zinc/23/95/39/138239539.db2.gz KUQPZCHGRCVYBE-UHFFFAOYSA-N 0 0 332.429 1.670 10 0 EDAERN COCc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 ZINC000076390706 138248105 /nfs/dbraw/zinc/24/81/05/138248105.db2.gz ZJCJUSXUIUCARN-KRWDZBQOSA-N 0 0 341.411 1.729 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1nccn1CC(C)C ZINC000083734729 138269335 /nfs/dbraw/zinc/26/93/35/138269335.db2.gz KUSPDMRBJXOHHL-CYBMUJFWSA-N 0 0 331.424 1.773 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCCNC(=O)c1ccsc1 ZINC000081581891 138267150 /nfs/dbraw/zinc/26/71/50/138267150.db2.gz PEQMNQCCQWAFQX-CYBMUJFWSA-N 0 0 347.444 1.809 10 0 EDAERN CC(C)[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)N1CCCC1=O ZINC000105811627 138302000 /nfs/dbraw/zinc/30/20/00/138302000.db2.gz TURFEFWICVOHCS-KRWDZBQOSA-N 0 0 345.447 1.162 10 0 EDAERN Cn1nccc1CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000093273159 138293025 /nfs/dbraw/zinc/29/30/25/138293025.db2.gz SARVJHVJDIUNPT-UHFFFAOYSA-N 0 0 336.443 1.924 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)c1 ZINC000117810694 138312470 /nfs/dbraw/zinc/31/24/70/138312470.db2.gz NQAVRURRMMDJDC-GFCCVEGCSA-N 0 0 348.353 1.639 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3ccc(C)cc3O)CC2)no1 ZINC000109923610 138306750 /nfs/dbraw/zinc/30/67/50/138306750.db2.gz SMAZTUTZAVRPRA-UHFFFAOYSA-N 0 0 330.388 1.740 10 0 EDAERN CN(CCCNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000112745248 138309520 /nfs/dbraw/zinc/30/95/20/138309520.db2.gz YJJCEKUQGHJUAU-CYBMUJFWSA-N 0 0 346.410 1.558 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)CC1CCCCC1)CC2 ZINC000114865396 138310744 /nfs/dbraw/zinc/31/07/44/138310744.db2.gz NKKNJJUWBLUPFN-CQSZACIVSA-N 0 0 347.463 1.358 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1cc(OC)ccc1OC)CC2 ZINC000114870334 138310786 /nfs/dbraw/zinc/31/07/86/138310786.db2.gz OZBDXHHCKBAIOI-ZDUSSCGKSA-N 0 0 344.415 1.531 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)NCc3cc(F)cc(F)c3)C2)cn1 ZINC000116319182 138311739 /nfs/dbraw/zinc/31/17/39/138311739.db2.gz WKSQXPXBXLMKGM-CYBMUJFWSA-N 0 0 334.370 1.804 10 0 EDAERN COc1cc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1O ZINC000116527164 138311904 /nfs/dbraw/zinc/31/19/04/138311904.db2.gz HEMRXJBRUMPMOC-ZDUSSCGKSA-N 0 0 330.388 1.833 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3cscn3)C2)n1 ZINC000117041209 138312222 /nfs/dbraw/zinc/31/22/22/138312222.db2.gz QCEAHQWHEJXUQK-CYBMUJFWSA-N 0 0 334.449 1.973 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc2c1OCO2 ZINC000125028041 138331609 /nfs/dbraw/zinc/33/16/09/138331609.db2.gz OIINEDYRDSGJJW-LBPRGKRZSA-N 0 0 326.356 1.604 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1C ZINC000125434739 138333848 /nfs/dbraw/zinc/33/38/48/138333848.db2.gz CFSPMTLEWBDLBD-GFCCVEGCSA-N 0 0 325.434 1.256 10 0 EDAERN C[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)c1nnc2n1CCCC2 ZINC000126241053 138337842 /nfs/dbraw/zinc/33/78/42/138337842.db2.gz GBICOLXMCBHARW-GFCCVEGCSA-N 0 0 341.419 1.496 10 0 EDAERN C[C@@H](NC(=O)NCCC(=O)OC(C)(C)C)c1nnc2n1CCCC2 ZINC000130805157 138347589 /nfs/dbraw/zinc/34/75/89/138347589.db2.gz VLQBDAGZJUQXSO-LLVKDONJSA-N 0 0 337.424 1.706 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000135343444 138422905 /nfs/dbraw/zinc/42/29/05/138422905.db2.gz WBCFWBLOUBTQBO-CZUORRHYSA-N 0 0 349.479 1.979 10 0 EDAERN O=C(NCCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C1CCC1 ZINC000151209396 138450465 /nfs/dbraw/zinc/45/04/65/138450465.db2.gz KXOMVWLNZZRPCX-QAPCUYQASA-N 0 0 337.464 1.629 10 0 EDAERN O=C(NC1CN(C(=O)N[C@H]2CCCOc3ccccc32)C1)C1CC1 ZINC000186732774 236000495 /nfs/dbraw/zinc/00/04/95/236000495.db2.gz CQSMEANILKRHIM-HNNXBMFYSA-N 0 0 329.400 1.820 10 0 EDAERN CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1cn(CC)nc1C ZINC000036615248 213102767 /nfs/dbraw/zinc/10/27/67/213102767.db2.gz PHLNMQCZTGVTNK-UHFFFAOYSA-N 0 0 339.465 1.947 10 0 EDAERN O=C(NCCCn1ccnc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186791566 236021381 /nfs/dbraw/zinc/02/13/81/236021381.db2.gz JKEWLYLFTPFVSU-GJZGRUSLSA-N 0 0 334.445 1.752 10 0 EDAERN CCOC(=O)CN(C)S(=O)(=O)CCSc1ccccc1N ZINC000070215606 215683038 /nfs/dbraw/zinc/68/30/38/215683038.db2.gz NEPFTZSDXRWSBA-UHFFFAOYSA-N 0 0 332.447 1.186 10 0 EDAERN Nc1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1Br ZINC000070216875 215683321 /nfs/dbraw/zinc/68/33/21/215683321.db2.gz XJWINXSAUGQJNF-VIFPVBQESA-N 0 0 349.250 1.879 10 0 EDAERN CN([C@H]1CCSC1)S(=O)(=O)c1cccc(F)c1C(N)=S ZINC000070395151 215688816 /nfs/dbraw/zinc/68/88/16/215688816.db2.gz LJYNSWCXTCXWNN-QMMMGPOBSA-N 0 0 334.463 1.586 10 0 EDAERN C[C@H]1CSCCN1S(=O)(=O)c1cccc(F)c1C(N)=S ZINC000070395462 215689420 /nfs/dbraw/zinc/68/94/20/215689420.db2.gz SKYVEPMKFFYKAQ-QMMMGPOBSA-N 0 0 334.463 1.586 10 0 EDAERN CCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(C)=O)CC1 ZINC000036157691 213074722 /nfs/dbraw/zinc/07/47/22/213074722.db2.gz CLPGKLVJTCOLCJ-KRWDZBQOSA-N 0 0 345.443 1.570 10 0 EDAERN Cn1cc(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)ccc1=O ZINC000187392969 236198491 /nfs/dbraw/zinc/19/84/91/236198491.db2.gz OBLSRYNBPPXAAM-CMPLNLGQSA-N 0 0 339.367 1.671 10 0 EDAERN COc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)OCC2(C)C)c1 ZINC000036102687 213067801 /nfs/dbraw/zinc/06/78/01/213067801.db2.gz KHJSWEYHWRISAP-LLVKDONJSA-N 0 0 329.418 1.892 10 0 EDAERN O=C(CCCCc1c[nH]nn1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187580565 236251305 /nfs/dbraw/zinc/25/13/05/236251305.db2.gz NCRRLBHBKCPYKH-ZFWWWQNUSA-N 0 0 334.445 1.814 10 0 EDAERN O=C(NC1CN(C(=O)NCc2csc(-c3ccco3)n2)C1)C1CC1 ZINC000187600363 236256645 /nfs/dbraw/zinc/25/66/45/236256645.db2.gz IZEVHPPTQFJVFW-UHFFFAOYSA-N 0 0 346.412 1.823 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)n1 ZINC000070874548 215720448 /nfs/dbraw/zinc/72/04/48/215720448.db2.gz AROKLFVIKSCQSE-UHFFFAOYSA-N 0 0 349.394 1.635 10 0 EDAERN O=C(NC1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C1)C1CC1 ZINC000187979704 236368714 /nfs/dbraw/zinc/36/87/14/236368714.db2.gz ZBJJVUGOPDXJFZ-MRXNPFEDSA-N 0 0 338.835 1.428 10 0 EDAERN CCN(Cc1ccc(Br)s1)C(=O)C[NH2+][C@H](C)C(=O)[O-] ZINC000035387522 213024637 /nfs/dbraw/zinc/02/46/37/213024637.db2.gz SDTHGUKXTPXWKY-MRVPVSSYSA-N 0 0 349.250 1.922 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NC[C@@H](O)C1CC1 ZINC000071299375 215755771 /nfs/dbraw/zinc/75/57/71/215755771.db2.gz MMXYFHKTISPKQK-SNVBAGLBSA-N 0 0 335.223 1.081 10 0 EDAERN COc1cccc(CN2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c1 ZINC000034916833 212999448 /nfs/dbraw/zinc/99/94/48/212999448.db2.gz VZESBXFWZOQWAV-HOCLYGCPSA-N 0 0 332.400 1.339 10 0 EDAERN Cc1cnn(CCNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000173554086 138671527 /nfs/dbraw/zinc/67/15/27/138671527.db2.gz JMEFXDZFCPIDRZ-UHFFFAOYSA-N 0 0 326.400 1.899 10 0 EDAERN CCOC(=O)CCN(C(=O)COc1ccc(C)cc1)[C@H](CC)CO ZINC000071626386 215790113 /nfs/dbraw/zinc/79/01/13/215790113.db2.gz BLKKOWNEAQXQNF-OAHLLOKOSA-N 0 0 337.416 1.927 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(-n2cnnn2)c1 ZINC000175751690 138699504 /nfs/dbraw/zinc/69/95/04/138699504.db2.gz JDKCZNDVPZLSPF-NSHDSACASA-N 0 0 331.376 1.465 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000176073398 138703779 /nfs/dbraw/zinc/70/37/79/138703779.db2.gz ACNKSRFFTKKLSK-JOYOIKCWSA-N 0 0 333.779 1.443 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)Nc1ccn(Cc2ccncc2)n1 ZINC000173310721 237258584 /nfs/dbraw/zinc/25/85/84/237258584.db2.gz VAZSOCBKJQBSEB-HUUCEWRRSA-N 0 0 329.404 1.999 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(-n2cccc2)cc1 ZINC000183963352 138789879 /nfs/dbraw/zinc/78/98/79/138789879.db2.gz PRCNSSZJLKZJQR-HNNXBMFYSA-N 0 0 343.412 1.882 10 0 EDAERN CS(=O)(=O)CCNCC(=O)Nc1c(Cl)cccc1Cl ZINC000037750490 213164349 /nfs/dbraw/zinc/16/43/49/213164349.db2.gz SAKJKERYFRJWLV-UHFFFAOYSA-N 0 0 325.217 1.566 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2occ(C)c2c1 ZINC000185118773 138801332 /nfs/dbraw/zinc/80/13/32/138801332.db2.gz BZXVMWDLUDJXHQ-ZDUSSCGKSA-N 0 0 329.356 1.417 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N[C@@H](C)C(=O)N(C)C ZINC000037843993 213169795 /nfs/dbraw/zinc/16/97/95/213169795.db2.gz HZLZYHLMSMFMTQ-VIFPVBQESA-N 0 0 330.226 1.867 10 0 EDAERN COC(=O)c1cnn2c1ncc1c(=O)n(-c3cccc(O)c3)ccc12 ZINC000072465965 216247415 /nfs/dbraw/zinc/24/74/15/216247415.db2.gz JDKJCHSZERLWQZ-UHFFFAOYSA-N 0 0 336.307 1.526 10 0 EDAERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000130253102 223136918 /nfs/dbraw/zinc/13/69/18/223136918.db2.gz GQVGRJVYDQWJHX-MEDUHNTESA-N 0 0 344.415 1.618 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000188187082 138833814 /nfs/dbraw/zinc/83/38/14/138833814.db2.gz LLTVOSLAEOOIIE-JTQLQIEISA-N 0 0 325.796 1.557 10 0 EDAERN O=C(C1CCCC1)N1CC[C@H](Nc2nn3c(nccc3=O)s2)C1 ZINC000132150128 223305218 /nfs/dbraw/zinc/30/52/18/223305218.db2.gz KXBCOJYUSQNIMN-NSHDSACASA-N 0 0 333.417 1.354 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccccc1Br ZINC000188919910 138855794 /nfs/dbraw/zinc/85/57/94/138855794.db2.gz KOULTZSEQKTCRR-SNVBAGLBSA-N 0 0 325.206 1.729 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000075530094 216631806 /nfs/dbraw/zinc/63/18/06/216631806.db2.gz XBVXIITVPQAIOS-BLLLJJGKSA-N 0 0 336.457 1.758 10 0 EDAERN CCOc1ccc(C(=O)NCCc2nnc(N)s2)cc1OCC ZINC000020201549 212111160 /nfs/dbraw/zinc/11/11/60/212111160.db2.gz KOZRZUKSAHQZMN-UHFFFAOYSA-N 0 0 336.417 1.890 10 0 EDAERN CC(C)C(=O)Nc1cccc(C(=O)NCCc2nnc(N)s2)c1 ZINC000020202049 212111222 /nfs/dbraw/zinc/11/12/22/212111222.db2.gz YQHBBRITYAVZBD-UHFFFAOYSA-N 0 0 333.417 1.687 10 0 EDAERN Cn1nc(Br)cc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000192114554 138936674 /nfs/dbraw/zinc/93/66/74/138936674.db2.gz VBGVRJLWEPNGQD-VIFPVBQESA-N 0 0 339.197 1.251 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000566844601 306430032 /nfs/dbraw/zinc/43/00/32/306430032.db2.gz AVINOWUDNHMYKP-MNOVXSKESA-N 0 0 343.836 1.507 10 0 EDAERN Cn1c2ccccc2n(CCC(=O)N[C@H]2COc3ccccc32)c1=O ZINC000194869904 139001608 /nfs/dbraw/zinc/00/16/08/139001608.db2.gz FFDIKQYZQHMFHP-AWEZNQCLSA-N 0 0 337.379 1.980 10 0 EDAERN CC(C)n1nnnc1CNc1ccccc1C(=O)N1CCC[C@H](O)C1 ZINC000194997507 139004102 /nfs/dbraw/zinc/00/41/02/139004102.db2.gz SBLYBRBRDIGQDC-ZDUSSCGKSA-N 0 0 344.419 1.463 10 0 EDAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@H]1COc2ccccc21 ZINC000195272475 139011989 /nfs/dbraw/zinc/01/19/89/139011989.db2.gz NDYDFPJIJQKOLT-AWEZNQCLSA-N 0 0 349.350 1.456 10 0 EDAERN O=C(c1ccc2c(c1)[n-]c(=S)[nH]c2=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195330935 139014805 /nfs/dbraw/zinc/01/48/05/139014805.db2.gz JSXGEYWIJLVHOU-NSHDSACASA-N 0 0 330.413 1.132 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000195468555 139017363 /nfs/dbraw/zinc/01/73/63/139017363.db2.gz DBHSEQNRJDFZTQ-SECBINFHSA-N 0 0 325.365 1.206 10 0 EDAERN O=C(CN1CCC(c2cc[nH]n2)CC1)NCCOc1cccc(F)c1 ZINC000195507527 139018502 /nfs/dbraw/zinc/01/85/02/139018502.db2.gz XZNGWGNFSKLIIG-UHFFFAOYSA-N 0 0 346.406 1.923 10 0 EDAERN Cc1cc(S(N)(=O)=O)cc(C)c1OCCOCC(F)(F)F ZINC000049311457 214000400 /nfs/dbraw/zinc/00/04/00/214000400.db2.gz VSPYCADKUQLEBP-UHFFFAOYSA-N 0 0 327.324 1.909 10 0 EDAERN Cc1csc(CNS(=O)(=O)c2ccc(C(N)=S)cc2)n1 ZINC000049534708 214015157 /nfs/dbraw/zinc/01/51/57/214015157.db2.gz MNVJSHQCLAMUPK-UHFFFAOYSA-N 0 0 327.456 1.564 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccccc2Br)C1 ZINC000110490652 220039305 /nfs/dbraw/zinc/03/93/05/220039305.db2.gz KIKPHZOARLUTSP-JTQLQIEISA-N 0 0 349.250 1.058 10 0 EDAERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccc(I)c(O)c1 ZINC000230904272 139024831 /nfs/dbraw/zinc/02/48/31/139024831.db2.gz DYEKFHXIBZWKOU-XVKPBYJWSA-N 0 0 347.152 1.904 10 0 EDAERN O=C(Nc1cnc2ccccc2c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000078994900 217168773 /nfs/dbraw/zinc/16/87/73/217168773.db2.gz WZEOCSLVYGBMHI-CJNGLKHVSA-N 0 0 327.384 1.841 10 0 EDAERN CCCc1noc(CCCC(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000111075764 220095879 /nfs/dbraw/zinc/09/58/79/220095879.db2.gz HFUAXOPSWGUGLI-AWEZNQCLSA-N 0 0 347.419 1.469 10 0 EDAERN COCCNC(=O)Cn1cc(NC(=O)N[C@@H](C)c2ccc(C)o2)cn1 ZINC000080159978 217284085 /nfs/dbraw/zinc/28/40/85/217284085.db2.gz UQKNEUGCJKALTK-LBPRGKRZSA-N 0 0 349.391 1.430 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)cc1C ZINC000081073561 217357992 /nfs/dbraw/zinc/35/79/92/217357992.db2.gz HDCPLWFJLRSPBF-CYBMUJFWSA-N 0 0 336.417 1.717 10 0 EDAERN COc1cc(F)ccc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111722015 220185570 /nfs/dbraw/zinc/18/55/70/220185570.db2.gz ZYTASQFRYFJXLI-CYBMUJFWSA-N 0 0 334.351 1.964 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081451555 217401311 /nfs/dbraw/zinc/40/13/11/217401311.db2.gz ZUOMCXDQSNZAJZ-VIFPVBQESA-N 0 0 349.387 1.637 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)c1 ZINC000112064763 220238026 /nfs/dbraw/zinc/23/80/26/220238026.db2.gz VFCVEQRQHMTPBI-OAHLLOKOSA-N 0 0 328.372 1.058 10 0 EDAERN O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@@H](n2cncn2)C1 ZINC000245803241 139086642 /nfs/dbraw/zinc/08/66/42/139086642.db2.gz BILREUIOFRXZSD-SJORKVTESA-N 0 0 325.416 1.935 10 0 EDAERN NS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151221201 223795680 /nfs/dbraw/zinc/79/56/80/223795680.db2.gz FXJHHTXUEPFFCW-CJNGLKHVSA-N 0 0 338.429 1.101 10 0 EDAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000245875882 139088352 /nfs/dbraw/zinc/08/83/52/139088352.db2.gz YFACFQGOJVVJRA-CABCVRRESA-N 0 0 336.436 1.261 10 0 EDAERN O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000246063296 139093427 /nfs/dbraw/zinc/09/34/27/139093427.db2.gz ZJOBCPFFPDFZOR-SUNKGSAMSA-N 0 0 334.322 1.474 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COc1c(C)nn(C)c1C ZINC000246127284 139095869 /nfs/dbraw/zinc/09/58/69/139095869.db2.gz UHZQMNOPECQHTO-ILXRZTDVSA-N 0 0 349.431 1.748 10 0 EDAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000246201732 139098998 /nfs/dbraw/zinc/09/89/98/139098998.db2.gz MJLZVGPXFVKYNP-BFHYXJOUSA-N 0 0 325.453 1.158 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2cc(F)ccc2F)C[C@H]1N1CCOCC1 ZINC000246370959 139105918 /nfs/dbraw/zinc/10/59/18/139105918.db2.gz HJRHZXZPXDMMJB-BLLLJJGKSA-N 0 0 339.386 1.556 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)c1ccc(F)c(Cl)c1 ZINC000246417669 139107793 /nfs/dbraw/zinc/10/77/93/139107793.db2.gz JPXPHFCKBFWPBR-FWDPORAESA-N 0 0 343.786 1.872 10 0 EDAERN C[C@@H](C(=O)Nc1cccc(F)c1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246482502 139110162 /nfs/dbraw/zinc/11/01/62/139110162.db2.gz OTRXQFJKTQZADQ-JKIFEVAISA-N 0 0 335.423 1.805 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1F ZINC000246572852 139113251 /nfs/dbraw/zinc/11/32/51/139113251.db2.gz STXMSZYFQNESPN-CJNGLKHVSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246913292 139126714 /nfs/dbraw/zinc/12/67/14/139126714.db2.gz HVKXCSPQYFHWOB-CKEIUWERSA-N 0 0 336.407 1.835 10 0 EDAERN CCOC(=O)/C=C/C(=O)NC(=S)Nc1cccc(C(=O)N(C)C)c1 ZINC000013627610 211594244 /nfs/dbraw/zinc/59/42/44/211594244.db2.gz QKHAUQLUPRWCOT-CMDGGOBGSA-N 0 0 349.412 1.321 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246894871 139125677 /nfs/dbraw/zinc/12/56/77/139125677.db2.gz XIRPUPZYBBHEEF-GJZGRUSLSA-N 0 0 348.443 1.572 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(F)cc2C)C[C@@H]1C ZINC000246930720 139127604 /nfs/dbraw/zinc/12/76/04/139127604.db2.gz BTAAPMISDBVMIE-ZDUSSCGKSA-N 0 0 330.425 1.475 10 0 EDAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000246936650 139127782 /nfs/dbraw/zinc/12/77/82/139127782.db2.gz GTRMZCYIOFOSLJ-BFHYXJOUSA-N 0 0 347.463 1.829 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000247062471 139133733 /nfs/dbraw/zinc/13/37/33/139133733.db2.gz VJPIUTBZXBRSFF-MDZLAQPJSA-N 0 0 343.210 1.810 10 0 EDAERN Cc1cnn(C[C@H]2CN([C@@H](C(=O)N(C)C)c3ccccc3)CCO2)c1 ZINC000247245137 139142200 /nfs/dbraw/zinc/14/22/00/139142200.db2.gz SQVGRKQWJQEOJV-QZTJIDSGSA-N 0 0 342.443 1.722 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CCO2)[nH]1 ZINC000247331676 139145265 /nfs/dbraw/zinc/14/52/65/139145265.db2.gz WYGGKMVJZNCXHB-WVWOOGAGSA-N 0 0 349.435 1.264 10 0 EDAERN CCCCC(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000012313413 211342488 /nfs/dbraw/zinc/34/24/88/211342488.db2.gz VSQJCDJDZONECO-UHFFFAOYSA-N 0 0 329.335 1.982 10 0 EDAERN COc1ccc(N[C@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc1 ZINC000012307776 211341191 /nfs/dbraw/zinc/34/11/91/211341191.db2.gz QDKPNKIJZXQWPA-AWEZNQCLSA-N 0 0 333.388 1.550 10 0 EDAERN COCc1noc([C@H](C)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000248437451 139163774 /nfs/dbraw/zinc/16/37/74/139163774.db2.gz BGMSPTQDTWGSQZ-STQMWFEESA-N 0 0 332.408 1.668 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)nc1 ZINC000091447546 218007746 /nfs/dbraw/zinc/00/77/46/218007746.db2.gz LNODWMQEWAUMCG-SNVBAGLBSA-N 0 0 326.194 1.537 10 0 EDAERN Cc1c2ccccc2oc1CNC(=O)C1CCN(CC(N)=O)CC1 ZINC000091680537 218047002 /nfs/dbraw/zinc/04/70/02/218047002.db2.gz DAARPNJPGHHOEA-UHFFFAOYSA-N 0 0 329.400 1.555 10 0 EDAERN Cc1cc(C)cc(N2C[C@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)c1 ZINC000011355898 211213896 /nfs/dbraw/zinc/21/38/96/211213896.db2.gz QFTRELMENNPJAS-TZMCWYRMSA-N 0 0 332.425 1.805 10 0 EDAERN CNC(=O)[C@@H]1CCCN1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000092098838 218119100 /nfs/dbraw/zinc/11/91/00/218119100.db2.gz SSGRRIYYMIMFEC-INIZCTEOSA-N 0 0 345.443 1.302 10 0 EDAERN NC(=O)[C@@H]1COCCN1CCC(=O)Nc1cccc2ccccc21 ZINC000092230277 218127981 /nfs/dbraw/zinc/12/79/81/218127981.db2.gz KLDDJZNKFHADGZ-INIZCTEOSA-N 0 0 327.384 1.355 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnnn1CC(F)(F)F ZINC000248839505 139177183 /nfs/dbraw/zinc/17/71/83/139177183.db2.gz PELDKZSWUQYFSK-AXFHLTTASA-N 0 0 347.341 1.542 10 0 EDAERN C[C@@H]1CN(C(=O)NCCC[C@H]2CCCCO2)C[C@H]1N1CCOCC1 ZINC000248881440 139179086 /nfs/dbraw/zinc/17/90/86/139179086.db2.gz OWQIREUHVVFRFX-BRWVUGGUSA-N 0 0 339.480 1.698 10 0 EDAERN CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000093170406 218199900 /nfs/dbraw/zinc/19/99/00/218199900.db2.gz DZHNDEJHQKYOLA-MRXNPFEDSA-N 0 0 333.432 1.615 10 0 EDAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1-c1ccccc1Cl ZINC000112195858 220257124 /nfs/dbraw/zinc/25/71/24/220257124.db2.gz FTCUJFAASSDNCU-ZDUSSCGKSA-N 0 0 348.834 1.895 10 0 EDAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249592023 139196230 /nfs/dbraw/zinc/19/62/30/139196230.db2.gz VROWBQRJMAHCNZ-RAIGVLPGSA-N 0 0 348.476 1.350 10 0 EDAERN Cc1cc(C)nc(S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095089805 218279578 /nfs/dbraw/zinc/27/95/78/218279578.db2.gz ZPABYUIYVPQBLA-LBPRGKRZSA-N 0 0 341.433 1.877 10 0 EDAERN COC(=O)N1CCc2nc(NC(=O)c3cc(C)n(C)n3)sc2C1 ZINC000009001931 211029903 /nfs/dbraw/zinc/02/99/03/211029903.db2.gz XWRCRGWWUZOKSM-UHFFFAOYSA-N 0 0 335.389 1.562 10 0 EDAERN COC(=O)NCCC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000112263824 220275938 /nfs/dbraw/zinc/27/59/38/220275938.db2.gz OETWVAZQDKOABS-UHFFFAOYSA-N 0 0 346.387 1.531 10 0 EDAERN COC[C@H](C)C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000157547407 532958807 /nfs/dbraw/zinc/95/88/07/532958807.db2.gz XLCYGTKNQSMVRJ-UONOGXRCSA-N 0 0 336.432 1.929 10 0 EDAERN COC[C@H](C)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000166476197 532959158 /nfs/dbraw/zinc/95/91/58/532959158.db2.gz DNWPFWDFVRGEDL-QWRGUYRKSA-N 0 0 346.221 1.588 10 0 EDAERN C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166673626 533040902 /nfs/dbraw/zinc/04/09/02/533040902.db2.gz VBXFUJVRXYAXFC-MNOVXSKESA-N 0 0 343.177 1.320 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)SC)ncn1 ZINC000129117953 533048768 /nfs/dbraw/zinc/04/87/68/533048768.db2.gz GNPZIIXCXRZRSK-NWDGAFQWSA-N 0 0 338.481 1.538 10 0 EDAERN CNc1cc(N2CCSC[C@@H]2S(C)(=O)=O)nc(C(C)C)n1 ZINC000163875071 533052694 /nfs/dbraw/zinc/05/26/94/533052694.db2.gz DKLSAUMHUDZKCG-LBPRGKRZSA-N 0 0 330.479 1.566 10 0 EDAERN CNc1nc(-c2ccnn2C)nc(C)c1I ZINC000164771747 533073166 /nfs/dbraw/zinc/07/31/66/533073166.db2.gz HOUIBFJQLVYLIT-UHFFFAOYSA-N 0 0 329.145 1.832 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)c1nnc2n1CCCC2 ZINC000153438289 224104906 /nfs/dbraw/zinc/10/49/06/224104906.db2.gz GEZLYRQSVQLDHN-RYUDHWBXSA-N 0 0 348.451 1.374 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000112652749 220364525 /nfs/dbraw/zinc/36/45/25/220364525.db2.gz XEOYAPZDTAHLHK-IINYFYTJSA-N 0 0 347.325 1.181 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000112660629 220366940 /nfs/dbraw/zinc/36/69/40/220366940.db2.gz NFOKYZHHOHZMTR-JSGCOSHPSA-N 0 0 329.335 1.041 10 0 EDAERN O=C(CCc1nc(-c2cccs2)no1)N[C@@H]1CCc2ncnn2C1 ZINC000112658400 220367002 /nfs/dbraw/zinc/36/70/02/220367002.db2.gz SBYXPSRZJPCGQS-SNVBAGLBSA-N 0 0 344.400 1.453 10 0 EDAERN O=C(Nc1ccc(N2CCCC2)nc1)N[C@@H]1CCc2ncnn2C1 ZINC000112712231 220382996 /nfs/dbraw/zinc/38/29/96/220382996.db2.gz QHBWNTSFUBNNBL-CYBMUJFWSA-N 0 0 327.392 1.410 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112748469 220397038 /nfs/dbraw/zinc/39/70/38/220397038.db2.gz LWKLNJKUDPXDCD-UHFFFAOYSA-N 0 0 342.465 1.046 10 0 EDAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@H]1CNC(=O)C1)C1CC1 ZINC000112816742 220404370 /nfs/dbraw/zinc/40/43/70/220404370.db2.gz QCTJSWYOQRWEHX-GDBMZVCRSA-N 0 0 344.411 1.288 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)CCCC(F)(F)F)C1 ZINC000263456924 139343012 /nfs/dbraw/zinc/34/30/12/139343012.db2.gz CJBZMMYLKCQQGA-UHFFFAOYSA-N 0 0 346.371 1.186 10 0 EDAERN CCC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000114917993 220780063 /nfs/dbraw/zinc/78/00/63/220780063.db2.gz CGMCGZAWGJKHIY-DGCLKSJQSA-N 0 0 328.434 1.611 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000491091111 255120087 /nfs/dbraw/zinc/12/00/87/255120087.db2.gz FBTOPKZGPMIUQO-LOWQCSRCSA-N 0 0 332.400 1.844 10 0 EDAERN COCCOc1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)ccn1 ZINC000180888399 533207104 /nfs/dbraw/zinc/20/71/04/533207104.db2.gz MFWWASHHSIASON-AWEZNQCLSA-N 0 0 330.388 1.470 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000117276675 221042686 /nfs/dbraw/zinc/04/26/86/221042686.db2.gz DISQQFJCTMEHGJ-OAHLLOKOSA-N 0 0 348.443 1.570 10 0 EDAERN COCCN1CCN(C(=O)c2coc(Br)c2)C[C@H]1C ZINC000117284618 221044339 /nfs/dbraw/zinc/04/43/39/221044339.db2.gz DLVPQYRDHDTMLG-SNVBAGLBSA-N 0 0 331.210 1.835 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CCN1CCOC ZINC000117309842 221051112 /nfs/dbraw/zinc/05/11/12/221051112.db2.gz XXYAGKURWLQSEU-QGZVFWFLSA-N 0 0 347.459 1.571 10 0 EDAERN CC(C)[C@H](C)NC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117469372 221066846 /nfs/dbraw/zinc/06/68/46/221066846.db2.gz YLTGAAMQQIVEEI-IRXDYDNUSA-N 0 0 349.475 1.798 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 ZINC000117818322 221092667 /nfs/dbraw/zinc/09/26/67/221092667.db2.gz WOISONNFLGCSPF-NSHDSACASA-N 0 0 348.325 1.471 10 0 EDAERN Cc1cnn(CCNC(=O)CCC(=O)N2CCc3sccc3C2)c1 ZINC000117815853 221093133 /nfs/dbraw/zinc/09/31/33/221093133.db2.gz CPYLEVKUSPNLIJ-UHFFFAOYSA-N 0 0 346.456 1.734 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCCN(Cc3cscn3)CC2)c1 ZINC000118078850 221112912 /nfs/dbraw/zinc/11/29/12/221112912.db2.gz JPNARFCQDGAZRZ-UHFFFAOYSA-N 0 0 348.476 1.566 10 0 EDAERN Cc1cnn(CCNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000118080074 221112962 /nfs/dbraw/zinc/11/29/62/221112962.db2.gz KRWOKSSJGIISFT-CYBMUJFWSA-N 0 0 337.424 1.500 10 0 EDAERN COc1cc2c(cc1OC)CN(C(=O)NCCn1cc(C)cn1)CC2 ZINC000118079788 221113023 /nfs/dbraw/zinc/11/30/23/221113023.db2.gz YQURSQBZDWLXKT-UHFFFAOYSA-N 0 0 344.415 1.977 10 0 EDAERN CCC1(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)CCCC1 ZINC000119159693 221256127 /nfs/dbraw/zinc/25/61/27/221256127.db2.gz LZMGXQLOKNAIKF-UHFFFAOYSA-N 0 0 347.463 1.566 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1F ZINC000119298770 221288906 /nfs/dbraw/zinc/28/89/06/221288906.db2.gz OPHZVAFGLFUUPI-CQSZACIVSA-N 0 0 345.378 1.878 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000119303112 221289712 /nfs/dbraw/zinc/28/97/12/221289712.db2.gz WRYFUXDPWLAGJL-CYBMUJFWSA-N 0 0 334.401 1.684 10 0 EDAERN O=C(NCCOc1ncccc1Cl)N[C@H]1CCCn2ncnc21 ZINC000119757951 221394429 /nfs/dbraw/zinc/39/44/29/221394429.db2.gz OSBBJZOFACKNOD-NSHDSACASA-N 0 0 336.783 1.540 10 0 EDAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000120243189 221524061 /nfs/dbraw/zinc/52/40/61/221524061.db2.gz KRJYUXDUGXWTOV-SAHAZLINSA-N 0 0 345.490 1.773 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000155201603 224375691 /nfs/dbraw/zinc/37/56/91/224375691.db2.gz UQMQUNMTXFQFBM-WFASDCNBSA-N 0 0 325.368 1.360 10 0 EDAERN CCOc1ncccc1C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000155230233 224380316 /nfs/dbraw/zinc/38/03/16/224380316.db2.gz LNRZOWGFFOIUCC-LBPRGKRZSA-N 0 0 331.376 1.483 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(Br)n1 ZINC000155146423 224366312 /nfs/dbraw/zinc/36/63/12/224366312.db2.gz GIHJQQIWSXJHKP-SNVBAGLBSA-N 0 0 326.194 1.537 10 0 EDAERN COCCO[C@@H]1CCN(C(=O)c2cnoc2C)[C@H]1Cc1ccncc1 ZINC000252022676 257660063 /nfs/dbraw/zinc/66/00/63/257660063.db2.gz ZJZSNSIMIOWIDI-DLBZAZTESA-N 0 0 345.399 1.867 10 0 EDAERN Cn1cc(C[C@@H]2[C@@H](OCC3CC3)CCN2C(=O)c2ccnnc2)cn1 ZINC000248163014 257661726 /nfs/dbraw/zinc/66/17/26/257661726.db2.gz YNCRCYVEWONWOG-SJORKVTESA-N 0 0 341.415 1.463 10 0 EDAERN Cn1ccc(C(=O)N2CC3(C2)C[C@H](Oc2ncccc2F)CS3)n1 ZINC000248105931 257664508 /nfs/dbraw/zinc/66/45/08/257664508.db2.gz FVXNYQLWPFJGAN-NSHDSACASA-N 0 0 348.403 1.733 10 0 EDAERN Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)C2CCOCC2)cs1 ZINC000247998683 257670293 /nfs/dbraw/zinc/67/02/93/257670293.db2.gz BBFQKLIFRUYXQT-CABCVRRESA-N 0 0 349.456 1.580 10 0 EDAERN Cc1csc(C[C@@H]2OC[C@@H]3CN(S(=O)(=O)C4CC4)CC[C@H]23)n1 ZINC000247952137 257672837 /nfs/dbraw/zinc/67/28/37/257672837.db2.gz KMBRYWZIIOXIPY-UBHSHLNASA-N 0 0 342.486 1.823 10 0 EDAERN O=C([C@@H]1COC2(CN(C3CCCC3)C2)CN1CC1CC1)N1CCCC1 ZINC000247895130 257674964 /nfs/dbraw/zinc/67/49/64/257674964.db2.gz ZRXNUSPQKCEEBD-SFHVURJKSA-N 0 0 347.503 1.717 10 0 EDAERN O=C([O-])C[NH+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000045949420 258003446 /nfs/dbraw/zinc/00/34/46/258003446.db2.gz GZUBGJRGDZXYBP-UHFFFAOYSA-N 0 0 329.400 1.719 10 0 EDAERN COCCn1ccc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000187748091 533336466 /nfs/dbraw/zinc/33/64/66/533336466.db2.gz DWGMUCOFLWAEKJ-AWEZNQCLSA-N 0 0 344.419 1.061 10 0 EDAERN COc1cccc(CNC(=O)N[C@H]2CCCn3ncnc32)c1OC ZINC000177324208 533501082 /nfs/dbraw/zinc/50/10/82/533501082.db2.gz WOEQZJUHBFDSKC-LBPRGKRZSA-N 0 0 331.376 1.630 10 0 EDAERN COC(=O)C[C@@H](C)C(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000133048872 533587733 /nfs/dbraw/zinc/58/77/33/533587733.db2.gz UKVWYVMSVIWZNJ-CYBMUJFWSA-N 0 0 345.399 1.984 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Br)cc1C ZINC000168845658 533548656 /nfs/dbraw/zinc/54/86/56/533548656.db2.gz MHKZODUITFNLGQ-CMPLNLGQSA-N 0 0 342.189 1.506 10 0 EDAERN COC(=O)C1CCN(c2ncnc(Nc3ccc(C)cn3)c2N)CC1 ZINC000040798864 132407011 /nfs/dbraw/zinc/40/70/11/132407011.db2.gz GRXFWULNIYTTFP-UHFFFAOYSA-N 0 0 342.403 1.895 10 0 EDAERN Cc1nnc(Sc2nc(Cl)nc(N3CCOCC3)n2)s1 ZINC000061544116 132805163 /nfs/dbraw/zinc/80/51/63/132805163.db2.gz FGCBTHZACYBKNO-UHFFFAOYSA-N 0 0 330.826 1.673 10 0 EDAERN O=C(CN1CCC[C@H](c2nnc[nH]2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000333033906 141253119 /nfs/dbraw/zinc/25/31/19/141253119.db2.gz BCJQZSKWYWQZSF-GJZGRUSLSA-N 0 0 341.415 1.104 10 0 EDAERN NC(=O)[C@H]1CCCN(C(=O)CSc2nc(C3CC3)cc(=O)[nH]2)C1 ZINC000333088170 141261684 /nfs/dbraw/zinc/26/16/84/141261684.db2.gz RZYCRSWAFIFBHC-JTQLQIEISA-N 0 0 336.417 1.926 10 0 EDAERN CCn1ccnc1[C@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000333194906 141279078 /nfs/dbraw/zinc/27/90/78/141279078.db2.gz PGQHARUDFNBJST-RRFJBIMHSA-N 0 0 335.452 1.469 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccnc3[nH]c(C)nc32)cn1 ZINC000333308835 141296691 /nfs/dbraw/zinc/29/66/91/141296691.db2.gz UYQGTHOJVXPKKT-DZGCQCFKSA-N 0 0 340.387 1.743 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cn3ccnc3s2)cn1 ZINC000333403848 141312485 /nfs/dbraw/zinc/31/24/85/141312485.db2.gz CBWWGRPBEWYVST-WCQYABFASA-N 0 0 331.401 1.872 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCOCC3(CCC3)C2)cn1 ZINC000333741987 141370769 /nfs/dbraw/zinc/37/07/69/141370769.db2.gz RLTKCMYLJBYUFR-JKSUJKDBSA-N 0 0 348.447 1.945 10 0 EDAERN CCO[C@@H]1C[C@@H](N[C@@H](C(=O)OC)c2cccnc2)C12CCOCC2 ZINC000248627065 286286908 /nfs/dbraw/zinc/28/69/08/286286908.db2.gz DZBCLEBCFAFOTK-BZUAXINKSA-N 0 0 334.416 1.860 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCC(=O)N(C)C)C12CCCC2 ZINC000172605221 286319158 /nfs/dbraw/zinc/31/91/58/286319158.db2.gz GCIHKQSBWBKILA-UONOGXRCSA-N 0 0 325.453 1.844 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000072888309 287257454 /nfs/dbraw/zinc/25/74/54/287257454.db2.gz KTIVSPWOVDFNIB-GHMZBOCLSA-N 0 0 327.344 1.318 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000158567583 225043254 /nfs/dbraw/zinc/04/32/54/225043254.db2.gz TUUUZZJXWDYIIN-CZUORRHYSA-N 0 0 342.399 1.478 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000158566775 225043272 /nfs/dbraw/zinc/04/32/72/225043272.db2.gz RNGGPMPEDVQVQL-GXTWGEPZSA-N 0 0 344.371 1.342 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1-n1cccn1 ZINC000158568329 225043530 /nfs/dbraw/zinc/04/35/30/225043530.db2.gz JYDXVRLMXPBMCQ-CZUORRHYSA-N 0 0 342.399 1.478 10 0 EDAERN NC(=S)CC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000158957748 225117018 /nfs/dbraw/zinc/11/70/18/225117018.db2.gz JSEHTBXJGAEOPL-UHFFFAOYSA-N 0 0 329.219 1.676 10 0 EDAERN O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC[C@H](n2cncn2)C1 ZINC000158986585 225122275 /nfs/dbraw/zinc/12/22/75/225122275.db2.gz UMOYUMSACVMJHA-AWEZNQCLSA-N 0 0 341.350 1.475 10 0 EDAERN O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC[C@@H](n2cncn2)C1 ZINC000158986731 225122451 /nfs/dbraw/zinc/12/24/51/225122451.db2.gz UMOYUMSACVMJHA-CQSZACIVSA-N 0 0 341.350 1.475 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3ccc(OC)nn3)CC2)cn1 ZINC000159175568 225162569 /nfs/dbraw/zinc/16/25/69/225162569.db2.gz BPTDIBXWZWOGOK-UHFFFAOYSA-N 0 0 344.419 1.050 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](CCO)CC(C)C)C[C@H]1C ZINC000120948956 287366162 /nfs/dbraw/zinc/36/61/62/287366162.db2.gz GJHHMNKRPROKSP-CVEARBPZSA-N 0 0 329.485 1.393 10 0 EDAERN O=C(Nc1ccccc1OC(F)(F)F)C(=O)N1CCC[C@@H]1CO ZINC000121149315 287368423 /nfs/dbraw/zinc/36/84/23/287368423.db2.gz PEFCQKUBOZVNRB-SECBINFHSA-N 0 0 332.278 1.507 10 0 EDAERN C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(N)c(Br)c2)C1 ZINC000161507221 225640769 /nfs/dbraw/zinc/64/07/69/225640769.db2.gz ODDZLMYYBOSVRB-RKDXNWHRSA-N 0 0 349.250 1.423 10 0 EDAERN O=C(Nc1ccc(F)c(Br)c1)[C@H]1Cc2[nH]cnc2CN1 ZINC000164040642 226039323 /nfs/dbraw/zinc/03/93/23/226039323.db2.gz ZETXXEDOQZXWCX-LLVKDONJSA-N 0 0 339.168 1.964 10 0 EDAERN C[C@H](C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1C[NH2+]C1 ZINC000164708281 226093601 /nfs/dbraw/zinc/09/36/01/226093601.db2.gz MZWIVJNHHSZFKK-ZETCQYMHSA-N 0 0 327.178 1.941 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc(N)c1Cl ZINC000164692037 226093984 /nfs/dbraw/zinc/09/39/84/226093984.db2.gz QXOSEXMXCJSKDP-VIFPVBQESA-N 0 0 331.825 1.117 10 0 EDAERN Cc1c(N)cnc(SCCS(C)(=O)=O)c1Br ZINC000167049218 226177866 /nfs/dbraw/zinc/17/78/66/226177866.db2.gz OCZTZISROADFEW-UHFFFAOYSA-N 0 0 325.253 1.871 10 0 EDAERN [NH3+]C[C@@H]1CCC[C@H]1COc1nc[n-]c(=O)c1I ZINC000165303996 226119539 /nfs/dbraw/zinc/11/95/39/226119539.db2.gz GKCLSPDFROQMKQ-YUMQZZPRSA-N 0 0 349.172 1.128 10 0 EDAERN Cc1cc(N)ccc1[S@@](=O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000165363239 226120908 /nfs/dbraw/zinc/12/09/08/226120908.db2.gz UPGSEVYOXAGPMM-FKIZINRSSA-N 0 0 330.475 1.356 10 0 EDAERN C[C@H](CNc1nc(C(F)(F)F)ccc1C(N)=S)[S@@](C)=O ZINC000165373783 226122389 /nfs/dbraw/zinc/12/23/89/226122389.db2.gz DNNKORNTNLCJQS-ZFFJSCCISA-N 0 0 325.381 1.914 10 0 EDAERN [NH3+]C[C@@H]1CCC[C@H]1CNc1nc[n-]c(=O)c1I ZINC000165461467 226124497 /nfs/dbraw/zinc/12/44/97/226124497.db2.gz LYPUVWJEWAYHEN-YUMQZZPRSA-N 0 0 348.188 1.161 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000165498149 226127268 /nfs/dbraw/zinc/12/72/68/226127268.db2.gz PEKUEHRLWQEPGL-GFCCVEGCSA-N 0 0 327.388 1.739 10 0 EDAERN Cc1c(N)cccc1S(=O)(=O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000166036770 226144999 /nfs/dbraw/zinc/14/49/99/226144999.db2.gz VOBBXJRTAHNURU-RYUDHWBXSA-N 0 0 331.459 1.707 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(Br)cnc1Cl ZINC000167915341 226203571 /nfs/dbraw/zinc/20/35/71/226203571.db2.gz SSHGVDDJZXGEGE-IONNQARKSA-N 0 0 349.612 1.719 10 0 EDAERN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1CO ZINC000168656935 226221791 /nfs/dbraw/zinc/22/17/91/226221791.db2.gz JEKHKEKJESLKCP-QMMMGPOBSA-N 0 0 326.201 1.375 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3ncon3)cc2)CCS1 ZINC000171469316 227096696 /nfs/dbraw/zinc/09/66/96/227096696.db2.gz QVRGUISUQWXFPO-JTQLQIEISA-N 0 0 332.385 1.639 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)C[C@@H]1C ZINC000122098215 222014137 /nfs/dbraw/zinc/01/41/37/222014137.db2.gz HLNHWQLPCOQYGU-AWEZNQCLSA-N 0 0 345.443 1.372 10 0 EDAERN COC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000122112845 222017090 /nfs/dbraw/zinc/01/70/90/222017090.db2.gz PPINFYZBUNMWLW-OAHLLOKOSA-N 0 0 326.352 1.964 10 0 EDAERN CCOC(=O)c1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)o1 ZINC000122493975 222099787 /nfs/dbraw/zinc/09/97/87/222099787.db2.gz ZDPDXYCWVXLKSK-OAHLLOKOSA-N 0 0 333.388 1.862 10 0 EDAERN O=C(Nc1ccc(F)cc1I)[C@@H]1CNC(=O)C1 ZINC000122297875 222057084 /nfs/dbraw/zinc/05/70/84/222057084.db2.gz DWIIUQCFRQWKTC-LURJTMIESA-N 0 0 348.115 1.505 10 0 EDAERN COCc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000122995450 222195861 /nfs/dbraw/zinc/19/58/61/222195861.db2.gz REHWGHTVFDLOTE-BEFAXECRSA-N 0 0 346.427 1.925 10 0 EDAERN CCn1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)ccc1=O ZINC000123233990 222240309 /nfs/dbraw/zinc/24/03/09/222240309.db2.gz IKBPHOIIJOXQOH-CYBMUJFWSA-N 0 0 327.340 1.057 10 0 EDAERN C[C@@H](CNC(=O)N(C)Cc1cc(Cl)cn1C)N1CCOCC1 ZINC000123573169 222299731 /nfs/dbraw/zinc/29/97/31/222299731.db2.gz CFYJBZXMZRCLQN-LBPRGKRZSA-N 0 0 328.844 1.541 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N[C@H](CC(=O)OC)c2ccccc2)C1 ZINC000123904395 222350666 /nfs/dbraw/zinc/35/06/66/222350666.db2.gz PIHOOHGUJFZQEX-LSDHHAIUSA-N 0 0 332.400 1.666 10 0 EDAERN Cc1cc(C[C@@H](C)NC(=O)[C@H]2CNC(=O)C2)n(-c2ccccc2)n1 ZINC000153010001 287619761 /nfs/dbraw/zinc/61/97/61/287619761.db2.gz RMABRCLBDJKUFG-TZMCWYRMSA-N 0 0 326.400 1.364 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCCOC1)c1ccc(S(C)(=O)=O)cc1 ZINC000171593542 533686459 /nfs/dbraw/zinc/68/64/59/533686459.db2.gz NSUWSZCLFDBFCK-AAEUAGOBSA-N 0 0 326.418 1.629 10 0 EDAERN Cc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)cnn1-c1ccccc1 ZINC000172762566 267529539 /nfs/dbraw/zinc/52/95/39/267529539.db2.gz ZLBUBTWMMUJULE-KRWDZBQOSA-N 0 0 340.427 1.727 10 0 EDAERN O=S(=O)(Cc1c(F)cccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000163793192 272931705 /nfs/dbraw/zinc/93/17/05/272931705.db2.gz ORKDOUNXMPLCLJ-LBPRGKRZSA-N 0 0 346.399 1.201 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000171653387 272932134 /nfs/dbraw/zinc/93/21/34/272932134.db2.gz CVTIUMWMFFXUOA-MRXNPFEDSA-N 0 0 346.406 1.540 10 0 EDAERN C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000248743541 287779216 /nfs/dbraw/zinc/77/92/16/287779216.db2.gz CBDOLIZZUYDUPB-HYVNUMGLSA-N 0 0 347.459 1.978 10 0 EDAERN CC1(C)CCN(C(=O)N[C@@H]2COc3ccccc32)CCS1(=O)=O ZINC000193621852 275822495 /nfs/dbraw/zinc/82/24/95/275822495.db2.gz PPGTYORSNINCNB-CYBMUJFWSA-N 0 0 338.429 1.729 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1CC ZINC000246671093 276320172 /nfs/dbraw/zinc/32/01/72/276320172.db2.gz XDAISADGYHOGEY-CABCVRRESA-N 0 0 334.464 1.789 10 0 EDAERN CC[C@@H](C)CNC(=O)c1[nH]nc2c1CN(C(=O)c1ccoc1)CC2 ZINC000034809785 276414228 /nfs/dbraw/zinc/41/42/28/276414228.db2.gz SGGRMOSXQYWMGD-LLVKDONJSA-N 0 0 330.388 1.977 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000248460291 276596349 /nfs/dbraw/zinc/59/63/49/276596349.db2.gz SKDXPTBIUJHYCD-ULQDDVLXSA-N 0 0 335.423 1.780 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cnccn3)C[C@H]21 ZINC000248641921 277203318 /nfs/dbraw/zinc/20/33/18/277203318.db2.gz ZOUSAZXTIJWCRH-YNEHKIRRSA-N 0 0 332.404 1.852 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@H]1C(N)=O)C(=O)c1ccc(Cl)cc1 ZINC000180576834 278162784 /nfs/dbraw/zinc/16/27/84/278162784.db2.gz HHLWEGVJKNGDBP-MFKMUULPSA-N 0 0 338.791 1.262 10 0 EDAERN CC(C)C[C@@H](CO)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177901258 278992919 /nfs/dbraw/zinc/99/29/19/278992919.db2.gz KNIOLRQHKPZJNK-OCCSQVGLSA-N 0 0 342.461 1.857 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccccc2[S@](=O)CC)CC1 ZINC000106394480 288110159 /nfs/dbraw/zinc/11/01/59/288110159.db2.gz RXFGDRDBEBSCMY-PSLXWICFSA-N 0 0 338.473 1.343 10 0 EDAERN NC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000048648869 279606858 /nfs/dbraw/zinc/60/68/58/279606858.db2.gz ZNCJXASNBAECGV-INIZCTEOSA-N 0 0 337.379 1.918 10 0 EDAERN O=C(c1cc(F)cc2cccnc21)N1CC[C@H](N2CCOCC2)C1 ZINC000119198316 280166049 /nfs/dbraw/zinc/16/60/49/280166049.db2.gz MTQGWIXBLAPODD-HNNXBMFYSA-N 0 0 329.375 1.921 10 0 EDAERN C[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)c1ccc(Br)s1 ZINC000091778763 289290690 /nfs/dbraw/zinc/29/06/90/289290690.db2.gz MGWYPNYXXLJLMG-JGVFFNPUSA-N 0 0 347.234 1.327 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC(C)(C)C(N)=O)[C@@H]1c1ccccc1 ZINC000171798445 289802910 /nfs/dbraw/zinc/80/29/10/289802910.db2.gz DRZPQMAUYACHLE-ZFWWWQNUSA-N 0 0 331.416 1.224 10 0 EDAERN CNC(=O)C(C)(C)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179445905 290343728 /nfs/dbraw/zinc/34/37/28/290343728.db2.gz CBIMINUXIFFSGA-UKRRQHHQSA-N 0 0 349.406 1.234 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Br)c1Cl ZINC000136107310 295120544 /nfs/dbraw/zinc/12/05/44/295120544.db2.gz PRASBFNOJYSSGD-VIFPVBQESA-N 0 0 347.596 1.429 10 0 EDAERN CCc1ncc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccncc2)cn1 ZINC000299742386 303656727 /nfs/dbraw/zinc/65/67/27/303656727.db2.gz HNVVMKCJTPBPKC-WMLDXEAASA-N 0 0 339.399 1.982 10 0 EDAERN CCOC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CCCC1 ZINC000527578865 305853270 /nfs/dbraw/zinc/85/32/70/305853270.db2.gz CQVOMGYOHHASMG-CABCVRRESA-N 0 0 348.447 1.105 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CCCOC1)c1ccc(S(C)(=O)=O)cc1 ZINC000057162086 441094183 /nfs/dbraw/zinc/09/41/83/441094183.db2.gz BURVFANDQNWKKM-CHWSQXEVSA-N 0 0 340.445 1.877 10 0 EDAERN CCCNC(=O)N1C[C@H](C(=O)N2CCCCC2)C2(C1)CCOCC2 ZINC000097945023 441147236 /nfs/dbraw/zinc/14/72/36/441147236.db2.gz UBPMXEPUCNLUGT-OAHLLOKOSA-N 0 0 337.464 1.847 10 0 EDAERN COc1cc(OC)cc(C(=O)Nc2c(C)n[nH]c2-n2cnnc2)c1 ZINC000013365455 441157588 /nfs/dbraw/zinc/15/75/88/441157588.db2.gz YEFXSOYQPPDWJN-UHFFFAOYSA-N 0 0 328.332 1.568 10 0 EDAERN Cc1ccccc1OCCCN(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104799745 441212660 /nfs/dbraw/zinc/21/26/60/441212660.db2.gz DMSLPNYCGFMGFV-MRXNPFEDSA-N 0 0 335.448 1.736 10 0 EDAERN CC(C)(O)C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000105414345 441255532 /nfs/dbraw/zinc/25/55/32/441255532.db2.gz WFPLWYSTXANVJC-ZDUSSCGKSA-N 0 0 330.425 1.339 10 0 EDAERN CCNC(=O)CNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000061376282 441271008 /nfs/dbraw/zinc/27/10/08/441271008.db2.gz KGCYZCSRBOBBHS-SECBINFHSA-N 0 0 328.210 1.945 10 0 EDAERN O=C(Nc1ccccc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105814780 441276870 /nfs/dbraw/zinc/27/68/70/441276870.db2.gz KVAWEWGYVSTQFD-UHFFFAOYSA-N 0 0 325.372 1.518 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000048698182 441325543 /nfs/dbraw/zinc/32/55/43/441325543.db2.gz JUFWBKCRYYOFFM-LLVKDONJSA-N 0 0 342.403 1.774 10 0 EDAERN CCOc1ccnc(N2CCN([C@@H](C)C(=O)NCCC(C)C)CC2)n1 ZINC000106152385 441327198 /nfs/dbraw/zinc/32/71/98/441327198.db2.gz ALMNQQIDADWDLO-HNNXBMFYSA-N 0 0 349.479 1.548 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)NC(C)(C)CC)CC2)n1 ZINC000106153906 441327612 /nfs/dbraw/zinc/32/76/12/441327612.db2.gz VGYZSEPXXJSYMO-UHFFFAOYSA-N 0 0 349.479 1.611 10 0 EDAERN CCOC(=O)[C@@H](C)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000106158852 441327939 /nfs/dbraw/zinc/32/79/39/441327939.db2.gz OBUMJMPZKCTNRV-GFCCVEGCSA-N 0 0 342.871 1.705 10 0 EDAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000049036833 441343584 /nfs/dbraw/zinc/34/35/84/441343584.db2.gz RZDCENMCGSFCDO-RKDXNWHRSA-N 0 0 349.250 1.564 10 0 EDAERN CCn1ccnc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105866377 441297442 /nfs/dbraw/zinc/29/74/42/441297442.db2.gz IJOAISLCTGIFRK-UHFFFAOYSA-N 0 0 330.436 1.871 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)Cc3cccc(O)c3)CC2)cn1 ZINC000105875159 441304091 /nfs/dbraw/zinc/30/40/91/441304091.db2.gz QSWHFPONFPYWER-UHFFFAOYSA-N 0 0 342.443 1.886 10 0 EDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1cccc(Cl)c1 ZINC000105888875 441307767 /nfs/dbraw/zinc/30/77/67/441307767.db2.gz AHPFJZBSIAWADC-HNNXBMFYSA-N 0 0 334.807 1.876 10 0 EDAERN CN(Cc1ccccc1)C(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105888591 441308331 /nfs/dbraw/zinc/30/83/31/441308331.db2.gz BHCCTYGVWSBSEV-KRWDZBQOSA-N 0 0 328.416 1.243 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc(C)cc3)CCO2)c1 ZINC000105891500 441308609 /nfs/dbraw/zinc/30/86/09/441308609.db2.gz IKBQEBNWXXOVBH-QGZVFWFLSA-N 0 0 328.416 1.839 10 0 EDAERN Cc1ccccc1CNC(=O)[C@@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889885 441308770 /nfs/dbraw/zinc/30/87/70/441308770.db2.gz MDBYEMVXJPGLCA-AEFFLSMTSA-N 0 0 342.443 1.597 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1ccccc1F ZINC000105889259 441308953 /nfs/dbraw/zinc/30/89/53/441308953.db2.gz HVLXQSHMHIKCNT-OAHLLOKOSA-N 0 0 332.379 1.039 10 0 EDAERN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1)C2=O ZINC000027899161 441417422 /nfs/dbraw/zinc/41/74/22/441417422.db2.gz XEECQNFYXCHJFJ-JMSVASOKSA-N 0 0 330.384 1.663 10 0 EDAERN COC(=O)N[C@H](C(=O)N1CCC[C@H](Cc2noc(C)n2)C1)C(C)C ZINC000108172392 441438137 /nfs/dbraw/zinc/43/81/37/441438137.db2.gz FLLRKFGULDGBBJ-OCCSQVGLSA-N 0 0 338.408 1.540 10 0 EDAERN CCCC(=O)O[C@H]1O[C@H]([C@@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000065735042 441480571 /nfs/dbraw/zinc/48/05/71/441480571.db2.gz INMKUQZPEKWDFA-BQQXIIOZSA-N 0 0 330.377 1.726 10 0 in-vitro EDAERN CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081795 441487389 /nfs/dbraw/zinc/48/73/89/441487389.db2.gz AKGLNNUPWJXQPF-CHWSQXEVSA-N 0 0 338.354 1.386 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000087563441 441494014 /nfs/dbraw/zinc/49/40/14/441494014.db2.gz JCVMQDHTBFWPRU-CQSZACIVSA-N 0 0 341.415 1.807 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000088199925 441495452 /nfs/dbraw/zinc/49/54/52/441495452.db2.gz WXKZLKDFAPTUCQ-GHMZBOCLSA-N 0 0 331.376 1.203 10 0 EDAERN O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H]1CCC[C@@H]1O ZINC000089159497 441528299 /nfs/dbraw/zinc/52/82/99/441528299.db2.gz YGBDKTCPRRPENR-IUCAKERBSA-N 0 0 345.193 1.049 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000075518674 441529556 /nfs/dbraw/zinc/52/95/56/441529556.db2.gz KAWLWWYTTKCVKF-BDAKNGLRSA-N 0 0 325.328 1.226 10 0 EDAERN COc1cc2ncn(CCCC(=O)N[C@@H]3C[C@@H]3C)c(=O)c2cc1OC ZINC000075522513 441530514 /nfs/dbraw/zinc/53/05/14/441530514.db2.gz CWZRZLJNIHAHNH-WCQYABFASA-N 0 0 345.399 1.719 10 0 EDAERN O=S(=O)(N1CCO[C@@H](c2nccs2)C1)N1CCCCCC1 ZINC000111344067 441534452 /nfs/dbraw/zinc/53/44/52/441534452.db2.gz YDEVJPXHSYYMTM-GFCCVEGCSA-N 0 0 331.463 1.637 10 0 EDAERN CO[C@H](CNC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000111812803 441542170 /nfs/dbraw/zinc/54/21/70/441542170.db2.gz ZQHHVBLKEPNNGO-IAGOWNOFSA-N 0 0 344.415 1.681 10 0 EDAERN CCOc1ccc(CN(C)C(=O)CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000053815921 441544132 /nfs/dbraw/zinc/54/41/32/441544132.db2.gz ANAUEIBCWKPYFM-QGZVFWFLSA-N 0 0 347.459 1.596 10 0 EDAERN O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000089781095 441578297 /nfs/dbraw/zinc/57/82/97/441578297.db2.gz GWRZKESVXYLEPI-CQSZACIVSA-N 0 0 337.397 1.547 10 0 EDAERN COc1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1OC1CCCC1 ZINC000113124907 441582632 /nfs/dbraw/zinc/58/26/32/441582632.db2.gz KSTZUTDTDFLXHZ-CYBMUJFWSA-N 0 0 332.400 1.769 10 0 EDAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)N[C@@H]1CCc2ncnn2C1 ZINC000113185041 441586003 /nfs/dbraw/zinc/58/60/03/441586003.db2.gz FOSQIUNEIHBCOY-CYBMUJFWSA-N 0 0 341.346 1.746 10 0 EDAERN CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000113234546 441591860 /nfs/dbraw/zinc/59/18/60/441591860.db2.gz ZUHXMYFDXIIDHH-DZGCQCFKSA-N 0 0 326.462 1.099 10 0 EDAERN COCCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1Cl ZINC000076097965 441597155 /nfs/dbraw/zinc/59/71/55/441597155.db2.gz TXAGJMDZKCCBDJ-JOYOIKCWSA-N 0 0 326.780 1.828 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000076097943 441597429 /nfs/dbraw/zinc/59/74/29/441597429.db2.gz PVWJJADSQINFEL-BBRMVZONSA-N 0 0 331.416 1.024 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc2c1N=S=N2 ZINC000113298579 441600137 /nfs/dbraw/zinc/60/01/37/441600137.db2.gz WOXGBBGBDNWXLN-QMMMGPOBSA-N 0 0 336.402 1.298 10 0 EDAERN COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000113298219 441600155 /nfs/dbraw/zinc/60/01/55/441600155.db2.gz RQKNIRHXSHOUPW-SECBINFHSA-N 0 0 342.808 1.233 10 0 EDAERN CC1(C)NC(=O)N(CCCC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1=O ZINC000113888093 441626314 /nfs/dbraw/zinc/62/63/14/441626314.db2.gz QBCBWPWIFOZZHX-ZDUSSCGKSA-N 0 0 347.419 1.574 10 0 EDAERN CCc1nnc(CS(=O)(=O)c2ncccc2Br)n1C ZINC000090989391 441646805 /nfs/dbraw/zinc/64/68/05/441646805.db2.gz HCXXXDFDJRUQFE-UHFFFAOYSA-N 0 0 345.222 1.509 10 0 EDAERN CCc1nnc(CSCc2noc(CCCC(=O)OC)n2)n1C ZINC000091029913 441651987 /nfs/dbraw/zinc/65/19/87/441651987.db2.gz RPOWAUBCAITFDG-UHFFFAOYSA-N 0 0 339.421 1.690 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1F)N1CCOCC1 ZINC000041602333 441662411 /nfs/dbraw/zinc/66/24/11/441662411.db2.gz IYGQUDICNQMLKY-JTQLQIEISA-N 0 0 343.786 1.255 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCOCC(C)C ZINC000041999551 441692762 /nfs/dbraw/zinc/69/27/62/441692762.db2.gz AHBASLSETZHGIN-AWEZNQCLSA-N 0 0 334.482 1.370 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000173339367 441718335 /nfs/dbraw/zinc/71/83/35/441718335.db2.gz ZLSDDCOXSWDBMC-SJLPKXTDSA-N 0 0 349.475 1.738 10 0 EDAERN CCc1cnc(CCNC(=O)N2CCN(CCOC)[C@H](C)C2)s1 ZINC000173390273 441731549 /nfs/dbraw/zinc/73/15/49/441731549.db2.gz YSXFZWBGTOSXPU-CYBMUJFWSA-N 0 0 340.493 1.610 10 0 EDAERN CC(C)(C)C(=O)NCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121565300 441733324 /nfs/dbraw/zinc/73/33/24/441733324.db2.gz POAYLVSPLCMXLJ-CXAGYDPISA-N 0 0 325.453 1.485 10 0 EDAERN CCCCc1nnc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)s1 ZINC000137097601 441746117 /nfs/dbraw/zinc/74/61/17/441746117.db2.gz FJKQSNFHMYGBOR-GFCCVEGCSA-N 0 0 349.464 1.748 10 0 EDAERN CC(C)c1nnc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000137284929 441761431 /nfs/dbraw/zinc/76/14/31/441761431.db2.gz GOUGKKIJRKYQRU-GFCCVEGCSA-N 0 0 349.464 1.604 10 0 EDAERN COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116371576 441817135 /nfs/dbraw/zinc/81/71/35/441817135.db2.gz JRQIJWQHIJYRHW-CYBMUJFWSA-N 0 0 349.412 1.385 10 0 EDAERN Cc1cccc(CCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 ZINC000158941146 441775906 /nfs/dbraw/zinc/77/59/06/441775906.db2.gz RLXKKEQPKWPWNY-KRWDZBQOSA-N 0 0 325.412 1.933 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCCc3ccsc3)CC2)cn1 ZINC000115798934 441778896 /nfs/dbraw/zinc/77/88/96/441778896.db2.gz PPZQDFUAPMGZMC-UHFFFAOYSA-N 0 0 347.488 1.942 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@@H](C)COCc2ccccc2)n(C)n1 ZINC000173531352 441779872 /nfs/dbraw/zinc/77/98/72/441779872.db2.gz JHLIARATTGVMME-ZDUSSCGKSA-N 0 0 330.388 1.389 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)COc3ccccc3Cl)CCO2)[nH]1 ZINC000173533175 441781942 /nfs/dbraw/zinc/78/19/42/441781942.db2.gz QCVAQVHAQZVVIN-CYBMUJFWSA-N 0 0 336.779 1.745 10 0 EDAERN CS(=O)(=O)CCOCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000173539148 441783113 /nfs/dbraw/zinc/78/31/13/441783113.db2.gz AGWISEAFTKXZIV-HNNXBMFYSA-N 0 0 340.445 1.424 10 0 EDAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@H]1c1ccco1 ZINC000116043642 441790942 /nfs/dbraw/zinc/79/09/42/441790942.db2.gz QKUPJWKBGDQJLG-LBPRGKRZSA-N 0 0 331.372 1.808 10 0 EDAERN CCCN(C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000173565812 441794109 /nfs/dbraw/zinc/79/41/09/441794109.db2.gz ATYYHMZCRQJENH-CQSZACIVSA-N 0 0 333.436 1.808 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)cn1 ZINC000116123044 441794973 /nfs/dbraw/zinc/79/49/73/441794973.db2.gz ZGUXCEFGACMXAB-LBPRGKRZSA-N 0 0 326.356 1.381 10 0 EDAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)NCc1ccccc1 ZINC000173630005 441808340 /nfs/dbraw/zinc/80/83/40/441808340.db2.gz TXPZXJOWQAZZBJ-UONOGXRCSA-N 0 0 327.432 1.970 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)cn1 ZINC000116316468 441811690 /nfs/dbraw/zinc/81/16/90/441811690.db2.gz SPYBABYKAZLSHO-CQSZACIVSA-N 0 0 342.399 1.255 10 0 EDAERN O=C1NCCc2ccc(S(=O)(=O)N[C@H]3COc4ccccc43)cc21 ZINC000116336166 441814774 /nfs/dbraw/zinc/81/47/74/441814774.db2.gz GQNYVTUJPRCSCD-HNNXBMFYSA-N 0 0 344.392 1.385 10 0 EDAERN O=C(NCCOC1CCCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173891305 441857324 /nfs/dbraw/zinc/85/73/24/441857324.db2.gz LXWKPQORKVYFPG-MRXNPFEDSA-N 0 0 339.480 1.842 10 0 EDAERN CCN1C[C@@H](C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1=O ZINC000173950899 441867680 /nfs/dbraw/zinc/86/76/80/441867680.db2.gz UZTZSQOAAHZSCD-ZFWWWQNUSA-N 0 0 326.400 1.918 10 0 EDAERN Cc1nc(S(=O)(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cn1C ZINC000173964865 441869887 /nfs/dbraw/zinc/86/98/87/441869887.db2.gz QAIVHCIQUWYYRK-GFCCVEGCSA-N 0 0 345.428 1.954 10 0 EDAERN COC(C)(C)CNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000173971909 441872071 /nfs/dbraw/zinc/87/20/71/441872071.db2.gz JULNNCSXLSPKKJ-UHFFFAOYSA-N 0 0 337.468 1.289 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)cn1 ZINC000116480373 441826408 /nfs/dbraw/zinc/82/64/08/441826408.db2.gz HXNKTQMVDMHDRK-LBPRGKRZSA-N 0 0 348.428 1.845 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NC3CCC4(CC3)OCCO4)C2)cn1 ZINC000116528714 441828107 /nfs/dbraw/zinc/82/81/07/441828107.db2.gz JRRDMKDHERCQIM-ZDUSSCGKSA-N 0 0 334.420 1.605 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1F ZINC000116586659 441831911 /nfs/dbraw/zinc/83/19/11/441831911.db2.gz WJCCDQCSMSOUCF-LLVKDONJSA-N 0 0 346.362 1.522 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC(Nc3cccnn3)CC2)cc1 ZINC000116753508 441839572 /nfs/dbraw/zinc/83/95/72/441839572.db2.gz ZIKUOFOWXMZIJB-UHFFFAOYSA-N 0 0 339.399 1.827 10 0 EDAERN CCOC(=O)NCCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116775988 441841949 /nfs/dbraw/zinc/84/19/49/441841949.db2.gz YGOZEMVRKJGJAF-CQSZACIVSA-N 0 0 337.424 1.270 10 0 EDAERN C[C@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)N(C)c1ccccc1 ZINC000173799314 441842418 /nfs/dbraw/zinc/84/24/18/441842418.db2.gz LYOCSJUBENDFGO-AEFFLSMTSA-N 0 0 346.475 1.627 10 0 EDAERN COc1cccc(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173875335 441854234 /nfs/dbraw/zinc/85/42/34/441854234.db2.gz TZZUXUOUSYAXOK-MAUKXSAKSA-N 0 0 332.444 1.807 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc2ccc(Cl)cc2[nH]1 ZINC000123158648 441877547 /nfs/dbraw/zinc/87/75/47/441877547.db2.gz JEEJDEQCIZNEIF-ZDUSSCGKSA-N 0 0 337.807 1.244 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000118291424 441893295 /nfs/dbraw/zinc/89/32/95/441893295.db2.gz JOMKSSBXAWRKBH-YNEHKIRRSA-N 0 0 334.507 1.543 10 0 EDAERN C[C@@H](NC(=O)c1noc2c1CCCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000119896472 441972335 /nfs/dbraw/zinc/97/23/35/441972335.db2.gz MDYWZUYHQFPOJH-SNVBAGLBSA-N 0 0 349.412 1.692 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CNC(=O)CC(C)(C)C)CC2 ZINC000150711833 441934267 /nfs/dbraw/zinc/93/42/67/441934267.db2.gz FOVAGKXFNIJWHR-GFCCVEGCSA-N 0 0 335.452 1.385 10 0 EDAERN C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)Oc1ccccc1F ZINC000175116627 442005751 /nfs/dbraw/zinc/00/57/51/442005751.db2.gz AISIDMBZUQIMIO-NWDGAFQWSA-N 0 0 333.367 1.499 10 0 EDAERN CN1CC[C@H](NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000175193655 442015108 /nfs/dbraw/zinc/01/51/08/442015108.db2.gz ARDFTVYTNJUHGQ-PMPSAXMXSA-N 0 0 331.416 1.515 10 0 EDAERN CCC[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)OC(C)(C)C ZINC000161586730 442014568 /nfs/dbraw/zinc/01/45/68/442014568.db2.gz LQUFQCCMRAQQTQ-ZDUSSCGKSA-N 0 0 345.403 1.903 10 0 EDAERN O=C(COc1ccccc1)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151327316 442042570 /nfs/dbraw/zinc/04/25/70/442042570.db2.gz FOJSWUNTIUJWMF-BEFAXECRSA-N 0 0 346.427 1.335 10 0 EDAERN COC(=O)CCCNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120215360 442030843 /nfs/dbraw/zinc/03/08/43/442030843.db2.gz PJJMOLVSKMXGSE-BXUZGUMPSA-N 0 0 342.342 1.735 10 0 EDAERN COCCn1cnnc1[C@@H](C)NC(=O)Nc1cccc2n[nH]cc21 ZINC000096139153 442043389 /nfs/dbraw/zinc/04/33/89/442043389.db2.gz HONQQJUZQZCKMM-SNVBAGLBSA-N 0 0 329.364 1.684 10 0 EDAERN CCCCS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000151313682 442041041 /nfs/dbraw/zinc/04/10/41/442041041.db2.gz XEDZPCRBDLPPLL-INIZCTEOSA-N 0 0 326.462 1.468 10 0 EDAERN Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000151370896 442049750 /nfs/dbraw/zinc/04/97/50/442049750.db2.gz DYEKPAHPJNQTPO-RDJZCZTQSA-N 0 0 330.428 1.776 10 0 EDAERN C[C@@H]1CN(C(=O)NCCOc2ccccc2)C[C@H]1N1CCOCC1 ZINC000175619374 442094847 /nfs/dbraw/zinc/09/48/47/442094847.db2.gz DAPBEJJHCDFTMP-NVXWUHKLSA-N 0 0 333.432 1.428 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N2CCC(c3cnn(CC)c3)CC2)C1 ZINC000162019900 442057022 /nfs/dbraw/zinc/05/70/22/442057022.db2.gz GQEATFLNPDDNIA-HNNXBMFYSA-N 0 0 332.448 1.868 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000125886541 442057521 /nfs/dbraw/zinc/05/75/21/442057521.db2.gz FARGJMNWVIMUAA-OAHLLOKOSA-N 0 0 336.436 1.892 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 ZINC000120384702 442061508 /nfs/dbraw/zinc/06/15/08/442061508.db2.gz MXXPARVSSGJUPK-LLVKDONJSA-N 0 0 336.367 1.163 10 0 EDAERN C[C@H](NC(=O)NCCCO)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000125956682 442064556 /nfs/dbraw/zinc/06/45/56/442064556.db2.gz FFWZJGQPZOLIMC-WMLDXEAASA-N 0 0 336.432 1.993 10 0 EDAERN COc1cc(C)cc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 ZINC000162174767 442070449 /nfs/dbraw/zinc/07/04/49/442070449.db2.gz UHKMXOJMTIEWKT-KRWDZBQOSA-N 0 0 341.411 1.899 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000175715237 442110430 /nfs/dbraw/zinc/11/04/30/442110430.db2.gz XPRIUKIGLYGTLG-AAEUAGOBSA-N 0 0 328.376 1.439 10 0 EDAERN CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000126617657 442127614 /nfs/dbraw/zinc/12/76/14/442127614.db2.gz DHPOJKLGUJFKAG-ZMSDIMECSA-N 0 0 334.391 1.983 10 0 EDAERN CCOC(=O)N[C@@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)C(C)C ZINC000126660985 442131053 /nfs/dbraw/zinc/13/10/53/442131053.db2.gz CDPYEXFHHQVAIU-ZIAGYGMSSA-N 0 0 337.424 1.287 10 0 EDAERN O=C(Nc1cc2c(cc1F)NC(=O)CC2)N[C@H]1CCCn2ncnc21 ZINC000120795633 442134255 /nfs/dbraw/zinc/13/42/55/442134255.db2.gz JKCARBNPGBPLDD-NSHDSACASA-N 0 0 344.350 1.959 10 0 EDAERN CC(C)N(C)C(=O)C1CCN(C(=O)CN2[C@@H](C)COC[C@@H]2C)CC1 ZINC000120907677 442149992 /nfs/dbraw/zinc/14/99/92/442149992.db2.gz MSSQSZJDGSMFBD-GJZGRUSLSA-N 0 0 339.480 1.201 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000175878049 442139492 /nfs/dbraw/zinc/13/94/92/442139492.db2.gz VNXNJESNYQVVGB-UONOGXRCSA-N 0 0 333.367 1.593 10 0 EDAERN Cc1cccc2nc(CNC(=O)[C@@H](C)NC(=O)c3ccco3)n(C)c21 ZINC000120850439 442141897 /nfs/dbraw/zinc/14/18/97/442141897.db2.gz BPQPIXLHNRRQPJ-GFCCVEGCSA-N 0 0 340.383 1.909 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCNc1ccccn1 ZINC000175679426 442104400 /nfs/dbraw/zinc/10/44/00/442104400.db2.gz MMQDWFLPBWTEFV-ZDUSSCGKSA-N 0 0 329.408 1.618 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)nc2)C1 ZINC000163484960 442168196 /nfs/dbraw/zinc/16/81/96/442168196.db2.gz PEUNMSMTATWWLS-ZDUSSCGKSA-N 0 0 345.378 1.782 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2c(F)cccc2Br)C1 ZINC000176278534 442204280 /nfs/dbraw/zinc/20/42/80/442204280.db2.gz SHSPPSSDUSYTHM-VIFPVBQESA-N 0 0 331.185 1.649 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C[C@H](O)COC2CCOCC2)no1 ZINC000127462743 442204492 /nfs/dbraw/zinc/20/44/92/442204492.db2.gz VYGCLGFVWTZPFB-DZGCQCFKSA-N 0 0 339.436 1.886 10 0 EDAERN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176099494 442176596 /nfs/dbraw/zinc/17/65/96/442176596.db2.gz IIWXPAORSYILHN-AWEZNQCLSA-N 0 0 343.387 1.655 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000121147978 442183533 /nfs/dbraw/zinc/18/35/33/442183533.db2.gz CFJQNHYCAKLWQW-BEFAXECRSA-N 0 0 346.427 1.708 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cn1 ZINC000127297751 442190136 /nfs/dbraw/zinc/19/01/36/442190136.db2.gz ORHMFVUMZVSBIA-GFCCVEGCSA-N 0 0 346.391 1.712 10 0 EDAERN O=C(C(=O)N1CCC[C@@H]1CO)N1CCc2c1cccc2C(F)(F)F ZINC000121229728 442194317 /nfs/dbraw/zinc/19/43/17/442194317.db2.gz RCUQOKQETTXHPZ-SNVBAGLBSA-N 0 0 342.317 1.578 10 0 EDAERN O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)NCC1(C2CC2)CC1 ZINC000152336148 442199120 /nfs/dbraw/zinc/19/91/20/442199120.db2.gz XCAGQGXQQXYIEC-SFHVURJKSA-N 0 0 343.471 1.895 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000152034402 442156402 /nfs/dbraw/zinc/15/64/02/442156402.db2.gz VQPZSVZNTHBDHX-HOCLYGCPSA-N 0 0 342.374 1.704 10 0 EDAERN O=C(C1CC=CC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000152055288 442159450 /nfs/dbraw/zinc/15/94/50/442159450.db2.gz VNCAEOXJOFGKMM-KRWDZBQOSA-N 0 0 330.428 1.537 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCCNC(=O)C2CC2)C12CCCC2 ZINC000152981917 442254259 /nfs/dbraw/zinc/25/42/59/442254259.db2.gz AORSMVWIIMRBKY-CABCVRRESA-N 0 0 337.464 1.892 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000164981454 442205989 /nfs/dbraw/zinc/20/59/89/442205989.db2.gz NHMUVOCCFYCDPQ-QGZVFWFLSA-N 0 0 329.400 1.864 10 0 EDAERN CCC(CC)[C@@H](O)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000152992885 442255154 /nfs/dbraw/zinc/25/51/54/442255154.db2.gz YYDKFZYGUATKFL-STQMWFEESA-N 0 0 339.440 1.356 10 0 EDAERN Cc1nc([C@H](C)NC(=O)CN2C(=O)c3ccccc3C2=O)cs1 ZINC000170524877 442232589 /nfs/dbraw/zinc/23/25/89/442232589.db2.gz SZRJZNNSEXXVFB-VIFPVBQESA-N 0 0 329.381 1.925 10 0 EDAERN COc1c(C(=O)N(C)C[C@H](O)COCc2ccccc2)c(C)nn1C ZINC000176561071 442234224 /nfs/dbraw/zinc/23/42/24/442234224.db2.gz JZIVWZHMBPIEBD-HNNXBMFYSA-N 0 0 347.415 1.387 10 0 EDAERN CCn1cc(NC(=O)C(=O)N[C@@H](C)COCc2ccccc2)cn1 ZINC000176647586 442243996 /nfs/dbraw/zinc/24/39/96/442243996.db2.gz VSMFNSSOQMVVSN-ZDUSSCGKSA-N 0 0 330.388 1.563 10 0 EDAERN COc1ccc(C(=O)CCCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000170683853 442247783 /nfs/dbraw/zinc/24/77/83/442247783.db2.gz VUQRJHPVZOCNHY-INIZCTEOSA-N 0 0 334.416 1.495 10 0 EDAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccccc1 ZINC000128422721 442265963 /nfs/dbraw/zinc/26/59/63/442265963.db2.gz JCRDFOCITDULIE-AWEZNQCLSA-N 0 0 332.429 1.766 10 0 EDAERN O=C(NCCCNC(=O)N1CCC(Cn2cccn2)CC1)C1CCC1 ZINC000177019825 442286308 /nfs/dbraw/zinc/28/63/08/442286308.db2.gz PDNUVMQBHIQOLW-UHFFFAOYSA-N 0 0 347.463 1.611 10 0 EDAERN COC(=O)CCCCCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000153506597 442286747 /nfs/dbraw/zinc/28/67/47/442286747.db2.gz SWAXRRNBLWECDX-GFCCVEGCSA-N 0 0 337.424 1.708 10 0 EDAERN C[C@@H](CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCOCC1 ZINC000128826660 442290213 /nfs/dbraw/zinc/29/02/13/442290213.db2.gz PCNJVWZTJSHNBL-VIFPVBQESA-N 0 0 348.325 1.236 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000128934939 442295752 /nfs/dbraw/zinc/29/57/52/442295752.db2.gz MVWWFSYZIMZKJQ-ZDUSSCGKSA-N 0 0 344.463 1.978 10 0 EDAERN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000129033666 442299092 /nfs/dbraw/zinc/29/90/92/442299092.db2.gz QWNBMZKLWRVCDM-OAHLLOKOSA-N 0 0 347.390 1.105 10 0 EDAERN CC(C)c1nnc(CN2C(=O)c3ccccc3CS2(=O)=O)n1C ZINC000171020353 442299854 /nfs/dbraw/zinc/29/98/54/442299854.db2.gz FJQNSSDFZQJMPY-UHFFFAOYSA-N 0 0 334.401 1.424 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000177134050 442302702 /nfs/dbraw/zinc/30/27/02/442302702.db2.gz FDUPYRGMAXLRBE-MRVPVSSYSA-N 0 0 344.289 1.454 10 0 EDAERN O=C(NCCCn1cnc2ccccc21)N[C@H]1CCCn2ncnc21 ZINC000177323885 442328560 /nfs/dbraw/zinc/32/85/60/442328560.db2.gz ULIOYRGEWLSIOU-AWEZNQCLSA-N 0 0 339.403 1.852 10 0 EDAERN CN(CCCNC(=O)N[C@H]1CCCn2ncnc21)CC(F)(F)F ZINC000177342698 442330217 /nfs/dbraw/zinc/33/02/17/442330217.db2.gz BGQDPSITDXVFDR-JTQLQIEISA-N 0 0 334.346 1.296 10 0 EDAERN C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1N1CCOCC1 ZINC000177245371 442318542 /nfs/dbraw/zinc/31/85/42/442318542.db2.gz FRWMSQIFLLHAJP-PBHICJAKSA-N 0 0 342.443 1.118 10 0 EDAERN C[C@@H](CNC(=O)NCCc1cc(F)cc(F)c1)N1CCOCC1 ZINC000155154293 442378674 /nfs/dbraw/zinc/37/86/74/442378674.db2.gz SHBWCHKTZFCMEF-LBPRGKRZSA-N 0 0 327.375 1.527 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)COCc3ccccc3)CC2)no1 ZINC000171759878 442379005 /nfs/dbraw/zinc/37/90/05/442379005.db2.gz LFLUXXPJKAKZDW-UHFFFAOYSA-N 0 0 344.415 1.629 10 0 EDAERN NC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177788441 442384385 /nfs/dbraw/zinc/38/43/85/442384385.db2.gz DJTNZFVZYYSKIT-OAHLLOKOSA-N 0 0 327.388 1.356 10 0 EDAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177798441 442385720 /nfs/dbraw/zinc/38/57/20/442385720.db2.gz LTMRVDWKVADOKK-CYBMUJFWSA-N 0 0 338.367 1.170 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2nnc(C(F)F)s2)C[C@@H]1N1CCOCC1 ZINC000177802421 442386315 /nfs/dbraw/zinc/38/63/15/442386315.db2.gz BKUCTUUURXYMCJ-BDAKNGLRSA-N 0 0 347.391 1.660 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NC[C@H]1CCCS1(=O)=O ZINC000177837028 442389210 /nfs/dbraw/zinc/38/92/10/442389210.db2.gz TYQCRYGUOKDBHE-UKRRQHHQSA-N 0 0 340.445 1.468 10 0 EDAERN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177574555 442358658 /nfs/dbraw/zinc/35/86/58/442358658.db2.gz DWNXNQWAXMLTSV-YPMHNXCESA-N 0 0 347.444 1.745 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)C[C@H]3CCOC3)CCCC2)no1 ZINC000177607985 442362267 /nfs/dbraw/zinc/36/22/67/442362267.db2.gz AFWYDYNZNCWKJB-NSHDSACASA-N 0 0 329.422 1.357 10 0 EDAERN CCc1cc(=O)n2nc(N3CCO[C@@H](c4ccco4)C3)sc2n1 ZINC000133350160 442413817 /nfs/dbraw/zinc/41/38/17/442413817.db2.gz OTIFBLOUYAOPSU-GFCCVEGCSA-N 0 0 332.385 1.884 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCCCC(=O)OC ZINC000133367970 442414295 /nfs/dbraw/zinc/41/42/95/442414295.db2.gz GYAMAVFPGLMGFM-GFCCVEGCSA-N 0 0 337.424 1.708 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000133444042 442418868 /nfs/dbraw/zinc/41/88/68/442418868.db2.gz ZKIVNMJIALWVLB-CQSZACIVSA-N 0 0 327.388 1.163 10 0 EDAERN COc1ccnc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000172221512 442425355 /nfs/dbraw/zinc/42/53/55/442425355.db2.gz QFIXJVGKZJMTHA-NSHDSACASA-N 0 0 334.397 1.985 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1OC)C(C)C ZINC000178407556 442430548 /nfs/dbraw/zinc/43/05/48/442430548.db2.gz RCPPNACZZSEYLS-IINYFYTJSA-N 0 0 325.384 1.965 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1nc3c(s1)COCC3)CC2 ZINC000172260420 442431778 /nfs/dbraw/zinc/43/17/78/442431778.db2.gz LSNKWNKXKKKDQW-SECBINFHSA-N 0 0 348.432 1.506 10 0 EDAERN Cc1cccc([C@@H](CNC(=O)C[C@@H](O)C(C)C)N2CCOCC2)c1 ZINC000155900261 442435165 /nfs/dbraw/zinc/43/51/65/442435165.db2.gz BNVADQOYGSBGKM-QZTJIDSGSA-N 0 0 334.460 1.892 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000172312432 442442989 /nfs/dbraw/zinc/44/29/89/442442989.db2.gz YRRZTMRLASFRJG-UHFFFAOYSA-N 0 0 328.372 1.271 10 0 EDAERN Cc1nc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)no1 ZINC000172314275 442443038 /nfs/dbraw/zinc/44/30/38/442443038.db2.gz WWGSBDSWDCRDQK-BBRMVZONSA-N 0 0 328.372 1.604 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3nc(C)sc3C)CC2)no1 ZINC000178570633 442444629 /nfs/dbraw/zinc/44/46/29/442444629.db2.gz SJRZCHYMQTZUAG-UHFFFAOYSA-N 0 0 335.433 1.799 10 0 EDAERN CCC(CC)N1C[C@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)CC1=O ZINC000172397749 442454590 /nfs/dbraw/zinc/45/45/90/442454590.db2.gz FGYXSLPVFNPWRU-LSDHHAIUSA-N 0 0 347.463 1.554 10 0 EDAERN CN(Cc1cc(Cl)cn1C)C(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000134515462 442489118 /nfs/dbraw/zinc/48/91/18/442489118.db2.gz ZXAWCKFIRIVILG-HNNXBMFYSA-N 0 0 348.834 1.917 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCC(Cn2cccn2)CC1 ZINC000186220315 442489188 /nfs/dbraw/zinc/48/91/88/442489188.db2.gz GWTRPYYVVLDVHE-UHFFFAOYSA-N 0 0 331.420 1.706 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@]2(CCc3ccccc32)C1)C(C)C ZINC000178809771 442490857 /nfs/dbraw/zinc/49/08/57/442490857.db2.gz PIJOKDVJQWFPCE-APWZRJJASA-N 0 0 345.443 1.641 10 0 EDAERN O=C(Nc1ccon1)C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000134596848 442499208 /nfs/dbraw/zinc/49/92/08/442499208.db2.gz NCNOFCGUBBOPDA-SKDRFNHKSA-N 0 0 337.282 1.226 10 0 EDAERN O=C(CCCNC(=O)N1CCC(Nc2cccnn2)CC1)NC1CC1 ZINC000172604267 442501759 /nfs/dbraw/zinc/50/17/59/442501759.db2.gz ZJHLZQHNXYMBBO-UHFFFAOYSA-N 0 0 346.435 1.121 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)n1 ZINC000134365224 442475020 /nfs/dbraw/zinc/47/50/20/442475020.db2.gz PLWVOKAWFVVKBK-HUUCEWRRSA-N 0 0 342.447 1.977 10 0 EDAERN O=C(NCCCN1CCCC1=O)N1CCC(Cn2cccn2)CC1 ZINC000172505614 442476171 /nfs/dbraw/zinc/47/61/71/442476171.db2.gz IZQFUYLHYHZFLA-UHFFFAOYSA-N 0 0 333.436 1.317 10 0 EDAERN O=C(NC1CN(S(=O)(=O)Cc2ccc(Cl)nc2)C1)C1CCC1 ZINC000186176566 442478721 /nfs/dbraw/zinc/47/87/21/442478721.db2.gz WWHCVCOTAPYSLD-UHFFFAOYSA-N 0 0 343.836 1.165 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C12CCOCC2 ZINC000186452136 442537703 /nfs/dbraw/zinc/53/77/03/442537703.db2.gz PGPBIMYLJJWUPI-CABCVRRESA-N 0 0 330.388 1.662 10 0 EDAERN O=C(c1cc(-c2ccccc2)no1)N1CC[C@H](N2CCOCC2)C1 ZINC000172767374 442538988 /nfs/dbraw/zinc/53/89/88/442538988.db2.gz KBSYXBJEZIPMHT-HNNXBMFYSA-N 0 0 327.384 1.888 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CCCCc2c[nH]nn2)C12CCOCC2 ZINC000186462556 442539686 /nfs/dbraw/zinc/53/96/86/442539686.db2.gz MVADSZHUONSLLP-CABCVRRESA-N 0 0 336.436 1.608 10 0 EDAERN Cc1ccnc(-n2nccc2NC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000186498143 442546459 /nfs/dbraw/zinc/54/64/59/442546459.db2.gz FDOYSUSQJHRLKS-AWEZNQCLSA-N 0 0 344.419 1.418 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)COc2cccc(OC)c2)C1 ZINC000157064231 442546605 /nfs/dbraw/zinc/54/66/05/442546605.db2.gz ALNRNUXUOYJAGE-AWEZNQCLSA-N 0 0 334.416 1.981 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCc2ccccn2)C1 ZINC000191979209 442553281 /nfs/dbraw/zinc/55/32/81/442553281.db2.gz GZKHPVVHFHNQKN-UONOGXRCSA-N 0 0 331.376 1.487 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000191814008 442516061 /nfs/dbraw/zinc/51/60/61/442516061.db2.gz BYEPGJBZFWQDNS-WDEREUQCSA-N 0 0 326.334 1.846 10 0 EDAERN CC(C)(O)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000191816021 442516126 /nfs/dbraw/zinc/51/61/26/442516126.db2.gz MLZWTHVAKOKLKV-UHFFFAOYSA-N 0 0 328.416 1.287 10 0 EDAERN C[C@H](NC(=O)c1ncc(F)cc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000191873890 442529777 /nfs/dbraw/zinc/52/97/77/442529777.db2.gz FEDTYGQVMNWSJM-QMMMGPOBSA-N 0 0 341.339 1.498 10 0 EDAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@@H](N3CCOCC3)C1)C2 ZINC000172746682 442531786 /nfs/dbraw/zinc/53/17/86/442531786.db2.gz ZFFNDWVFFJDBTL-JKSUJKDBSA-N 0 0 346.427 1.179 10 0 EDAERN C[S@@](=O)c1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000135293347 442575951 /nfs/dbraw/zinc/57/59/51/442575951.db2.gz CQKZFMCMOLIVRZ-BSEYFRJRSA-N 0 0 344.440 1.613 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@@H](C)COC)CC2)n1 ZINC000172979479 442576289 /nfs/dbraw/zinc/57/62/89/442576289.db2.gz HPVUQFDJCJXETQ-QWHCGFSZSA-N 0 0 340.424 1.094 10 0 EDAERN O=C(c1ncccc1C(F)(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000180315832 442580438 /nfs/dbraw/zinc/58/04/38/442580438.db2.gz RIYXDRLYROCYLS-NSHDSACASA-N 0 0 329.322 1.647 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)C(=O)Nc2cnns2)no1 ZINC000192086312 442588718 /nfs/dbraw/zinc/58/87/18/442588718.db2.gz RSIFJVUMWYUIBL-MRVPVSSYSA-N 0 0 336.377 1.347 10 0 EDAERN C[C@H]1CCS(=O)(=O)CCN1C[C@H](O)COCc1ccccc1 ZINC000192089357 442589660 /nfs/dbraw/zinc/58/96/60/442589660.db2.gz FWJYQUWDEQHCFQ-HOCLYGCPSA-N 0 0 327.446 1.073 10 0 EDAERN CCn1c(C)nnc1CN(c1ccc(C(C)=O)cc1)S(C)(=O)=O ZINC000180379393 442590557 /nfs/dbraw/zinc/59/05/57/442590557.db2.gz URFGJVSOVSPWCY-UHFFFAOYSA-N 0 0 336.417 1.775 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(F)ccc1OC ZINC000186693433 442593530 /nfs/dbraw/zinc/59/35/30/442593530.db2.gz NHWCRTLZFIMFSE-CYBMUJFWSA-N 0 0 348.378 1.766 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)nc3)C2=O)n(C)n1 ZINC000173066859 442598091 /nfs/dbraw/zinc/59/80/91/442598091.db2.gz MEUHXRFEVGNQOI-AWEZNQCLSA-N 0 0 327.388 1.357 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cnn3c1CCCC3)CC2 ZINC000179077400 442566693 /nfs/dbraw/zinc/56/66/93/442566693.db2.gz WQXMYHUXQYWVAD-GFCCVEGCSA-N 0 0 328.420 1.679 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000179079788 442567152 /nfs/dbraw/zinc/56/71/52/442567152.db2.gz SWHKZKZNBXGWJL-LLVKDONJSA-N 0 0 346.214 1.819 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000180256477 442568417 /nfs/dbraw/zinc/56/84/17/442568417.db2.gz NPWRPTUPNSAVRD-RHSMWYFYSA-N 0 0 345.443 1.367 10 0 EDAERN Cc1cc(C)n2nc(C(=O)N3CC[C@@H](Oc4cccnc4)C3)nc2n1 ZINC000135748113 442630487 /nfs/dbraw/zinc/63/04/87/442630487.db2.gz LFSDCYSGHGBQSB-CQSZACIVSA-N 0 0 338.371 1.430 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)c(F)c2F)C1)C1CC1 ZINC000187929872 442698076 /nfs/dbraw/zinc/69/80/76/442698076.db2.gz ISEONICAXSTMFM-UHFFFAOYSA-N 0 0 334.319 1.003 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cnc(Cl)cn2)C12CCOCC2 ZINC000192936895 442699696 /nfs/dbraw/zinc/69/96/96/442699696.db2.gz PBSNHIILCDNJKD-VXGBXAGGSA-N 0 0 325.796 1.834 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CCC(C)(C)O1)CC2 ZINC000187191766 442659682 /nfs/dbraw/zinc/65/96/82/442659682.db2.gz WWWJQBSOACVQFI-QWHCGFSZSA-N 0 0 335.452 1.973 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136360376 442660849 /nfs/dbraw/zinc/66/08/49/442660849.db2.gz BJUXSWPGOJHOSM-KGLIPLIRSA-N 0 0 348.451 1.131 10 0 EDAERN COc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000192603245 442667231 /nfs/dbraw/zinc/66/72/31/442667231.db2.gz MYFNYMXCNIHSLR-UWVGGRQHSA-N 0 0 326.780 1.923 10 0 EDAERN COCc1cc(NC(=O)N2CCC[C@H]2Cn2ccnc2C)ncn1 ZINC000180994123 442673746 /nfs/dbraw/zinc/67/37/46/442673746.db2.gz SJIQWXLTTLNELL-AWEZNQCLSA-N 0 0 330.392 1.824 10 0 EDAERN COCc1noc([C@H](C)N2CCCN(c3ccc(C)nn3)CC2)n1 ZINC000181799657 442717432 /nfs/dbraw/zinc/71/74/32/442717432.db2.gz YJSYYUVKWBJYLX-ZDUSSCGKSA-N 0 0 332.408 1.588 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000193272984 442728288 /nfs/dbraw/zinc/72/82/88/442728288.db2.gz GJLAWFCYBQUSKC-AWEZNQCLSA-N 0 0 342.399 1.521 10 0 EDAERN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1nc[nH]n1 ZINC000188243299 442728539 /nfs/dbraw/zinc/72/85/39/442728539.db2.gz UZXIJJJOYPZUMS-KXUCPTDWSA-N 0 0 327.360 1.329 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000193340176 442734859 /nfs/dbraw/zinc/73/48/59/442734859.db2.gz VLSJIWQYHWVYEG-CHWSQXEVSA-N 0 0 330.306 1.712 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCCCCCO)C(C)C ZINC000193368289 442736546 /nfs/dbraw/zinc/73/65/46/442736546.db2.gz UARNJSLTIHXSGT-INIZCTEOSA-N 0 0 336.432 1.728 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000193376768 442737547 /nfs/dbraw/zinc/73/75/47/442737547.db2.gz UFHZKVDJSBEUBZ-IBGZPJMESA-N 0 0 348.487 1.859 10 0 EDAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)c2cccs2)n1 ZINC000188366033 442743730 /nfs/dbraw/zinc/74/37/30/442743730.db2.gz UXGKQLTWOWOBGO-GHMZBOCLSA-N 0 0 336.417 1.968 10 0 EDAERN CC(C)(CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)N1CCOCC1 ZINC000182200099 442744559 /nfs/dbraw/zinc/74/45/59/442744559.db2.gz NXWUXJUCSWTARZ-OAHLLOKOSA-N 0 0 335.452 1.757 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000193464289 442745292 /nfs/dbraw/zinc/74/52/92/442745292.db2.gz BHRLCXGMIFXOHR-GFCCVEGCSA-N 0 0 346.412 1.694 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)CC1CCCC1)CC2 ZINC000181734441 442713164 /nfs/dbraw/zinc/71/31/64/442713164.db2.gz DRIIJUHGXCNALY-CYBMUJFWSA-N 0 0 326.466 1.826 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188744883 442801662 /nfs/dbraw/zinc/80/16/62/442801662.db2.gz GGBCTBQZOGJUFA-LBPRGKRZSA-N 0 0 344.415 1.324 10 0 EDAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)n1 ZINC000188743768 442801806 /nfs/dbraw/zinc/80/18/06/442801806.db2.gz IMPXZYBTVQOYIX-STQMWFEESA-N 0 0 346.387 1.986 10 0 EDAERN C[C@@H](O)[C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C1 ZINC000188753406 442805005 /nfs/dbraw/zinc/80/50/05/442805005.db2.gz BMEDYARFNILQAD-MROQNXINSA-N 0 0 330.400 1.563 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000193672110 442766215 /nfs/dbraw/zinc/76/62/15/442766215.db2.gz HKUVLZPIYRJENW-IAGOWNOFSA-N 0 0 330.428 1.548 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C[C@](C)(O)c3ccccc3)CCO2)c1 ZINC000182430602 442766438 /nfs/dbraw/zinc/76/64/38/442766438.db2.gz CCBGBCGMQZFIAG-MJGOQNOKSA-N 0 0 343.427 1.717 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000188622943 442772471 /nfs/dbraw/zinc/77/24/71/442772471.db2.gz OTJZGQKLYQUOCU-GOEBONIOSA-N 0 0 339.457 1.923 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N2CCCNC(=O)[C@H]2C)cc1F ZINC000188883434 442835087 /nfs/dbraw/zinc/83/50/87/442835087.db2.gz UJKFEAXMGXHDIJ-LLVKDONJSA-N 0 0 336.363 1.534 10 0 EDAERN O=C(Nc1ccc(F)cn1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000193917233 442811827 /nfs/dbraw/zinc/81/18/27/442811827.db2.gz KCBZMNZJWUINDZ-AAEUAGOBSA-N 0 0 349.387 1.455 10 0 EDAERN CC(C)Cn1ncnc1CN1CCC(N(C)c2cccnn2)CC1 ZINC000182749784 442818388 /nfs/dbraw/zinc/81/83/88/442818388.db2.gz VISBIPQNZBAWPB-UHFFFAOYSA-N 0 0 329.452 1.825 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCCCOC(C)C)CCO2)[nH]1 ZINC000182770399 442822261 /nfs/dbraw/zinc/82/22/61/442822261.db2.gz ZHGLTRCLNNNWRI-CYBMUJFWSA-N 0 0 339.440 1.655 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000188896301 442837973 /nfs/dbraw/zinc/83/79/73/442837973.db2.gz RUHBSBYWTUCGAU-SNVBAGLBSA-N 0 0 337.807 1.874 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)C(=O)c1ccccc1 ZINC000194073221 442841109 /nfs/dbraw/zinc/84/11/09/442841109.db2.gz FEHVLDLWJNMJPC-AWEZNQCLSA-N 0 0 329.377 1.904 10 0 EDAERN Cc1ccc2nc(CSCC(=O)N3CCCNC(=O)[C@H]3C)cn2c1 ZINC000188923708 442842860 /nfs/dbraw/zinc/84/28/60/442842860.db2.gz IBBXFNMOFWCPKZ-CYBMUJFWSA-N 0 0 346.456 1.613 10 0 EDAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188948982 442847931 /nfs/dbraw/zinc/84/79/31/442847931.db2.gz PQAKTLYRSAATHI-AWEZNQCLSA-N 0 0 345.443 1.652 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1[nH]nnc1-c1ccccc1)CC2 ZINC000194190840 442859763 /nfs/dbraw/zinc/85/97/63/442859763.db2.gz VEZVIFVQONFIKD-GFCCVEGCSA-N 0 0 337.387 1.370 10 0 EDAERN COc1n[nH]c(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000182996916 442861412 /nfs/dbraw/zinc/86/14/12/442861412.db2.gz RGTQPDGVRDABHS-DGCLKSJQSA-N 0 0 329.360 1.362 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000183062490 442872900 /nfs/dbraw/zinc/87/29/00/442872900.db2.gz AWDVGFHFXGPCFN-CYBMUJFWSA-N 0 0 329.356 1.589 10 0 EDAERN C[C@H]1C(=O)NCCCN1Cc1cnc2ccc(Br)cn12 ZINC000189097920 442877269 /nfs/dbraw/zinc/87/72/69/442877269.db2.gz CSXQFHRRQRPLLX-JTQLQIEISA-N 0 0 337.221 1.807 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCCC(=O)c2ccc(C)cc2)C1 ZINC000189178372 442892331 /nfs/dbraw/zinc/89/23/31/442892331.db2.gz VOCSFVHPJSVWRQ-UHFFFAOYSA-N 0 0 332.400 1.321 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cc(C)oc3C)CCO2)c1 ZINC000183179070 442895594 /nfs/dbraw/zinc/89/55/94/442895594.db2.gz HLSMWSGHKNBWNN-CQSZACIVSA-N 0 0 339.417 1.491 10 0 EDAERN COc1ccccc1-c1nn(C)cc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000189231355 442901374 /nfs/dbraw/zinc/90/13/74/442901374.db2.gz DSVSMZDONHNRBX-GFCCVEGCSA-N 0 0 342.399 1.446 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](CCO)CC(C)C)CC1 ZINC000181881656 318491811 /nfs/dbraw/zinc/49/18/11/318491811.db2.gz ZKHCIKKYVURGJV-JKSUJKDBSA-N 0 0 329.485 1.129 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1Br ZINC000189285880 442912698 /nfs/dbraw/zinc/91/26/98/442912698.db2.gz NWTBRZQQUORAPV-SNVBAGLBSA-N 0 0 340.221 1.598 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NCc2ccc(C)cc2)C1 ZINC000189336756 442924088 /nfs/dbraw/zinc/92/40/88/442924088.db2.gz UDQKTOUHSHLQIB-JKSUJKDBSA-N 0 0 344.415 1.765 10 0 EDAERN Cc1cccnc1C(F)(F)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000194692864 442938216 /nfs/dbraw/zinc/93/82/16/442938216.db2.gz KKYQJYBCDFAFMA-CYBMUJFWSA-N 0 0 325.359 1.415 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183613195 442946508 /nfs/dbraw/zinc/94/65/08/442946508.db2.gz NMAYRZPTCQLLEA-LSDHHAIUSA-N 0 0 346.493 1.246 10 0 EDAERN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]1CNC(=O)C1 ZINC000194806911 442956398 /nfs/dbraw/zinc/95/63/98/442956398.db2.gz FQDPGBOCILYZQH-SNVBAGLBSA-N 0 0 343.305 1.362 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)C1)C1CC1 ZINC000189449695 442956844 /nfs/dbraw/zinc/95/68/44/442956844.db2.gz MHRBKWPCGPDSJX-CQSZACIVSA-N 0 0 345.399 1.011 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000189456363 442957836 /nfs/dbraw/zinc/95/78/36/442957836.db2.gz CQADZYBCLTUUEV-ZDUSSCGKSA-N 0 0 344.415 1.022 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(C)cc2F)n1 ZINC000183747608 442958789 /nfs/dbraw/zinc/95/87/89/442958789.db2.gz ZIZBXMLMAHTYAL-GFCCVEGCSA-N 0 0 341.364 1.588 10 0 EDAERN Cc1ccc(C2(C(=O)N3CC(NC(=O)C4CC4)C3)CCOCC2)cc1 ZINC000189461664 442959957 /nfs/dbraw/zinc/95/99/57/442959957.db2.gz DIOUUZFZFGHZOA-UHFFFAOYSA-N 0 0 342.439 1.780 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)NCC(=O)NCC2CC2)C12CCCC2 ZINC000183797228 442965498 /nfs/dbraw/zinc/96/54/98/442965498.db2.gz FQUDHKFEFFTLME-GJZGRUSLSA-N 0 0 337.464 1.892 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2CC(=O)N(C)Cc2cnn(C)c2)no1 ZINC000195375658 318598522 /nfs/dbraw/zinc/59/85/22/318598522.db2.gz GKTFJPZNSVEXFG-CQSZACIVSA-N 0 0 346.435 1.722 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000195060453 442980539 /nfs/dbraw/zinc/98/05/39/442980539.db2.gz OQRVUCNPUKDZBG-SNVBAGLBSA-N 0 0 330.344 1.205 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000184264907 443007267 /nfs/dbraw/zinc/00/72/67/443007267.db2.gz IZWGZLCNBZCKDK-QGZVFWFLSA-N 0 0 346.475 1.668 10 0 EDAERN CCc1ccccc1N1C[C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000249837628 443007510 /nfs/dbraw/zinc/00/75/10/443007510.db2.gz TXTJNNKPDZRRSD-IRXDYDNUSA-N 0 0 341.455 1.909 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCC[C@@H]1CCCCO1)CC2 ZINC000184289806 443008819 /nfs/dbraw/zinc/00/88/19/443008819.db2.gz WQULVNWTGUKGIE-KBPBESRZSA-N 0 0 335.452 1.804 10 0 EDAERN C[C@@H](NC(=O)Nc1nc2ccccn2n1)c1nnc2n1CCCC2 ZINC000184352313 443013852 /nfs/dbraw/zinc/01/38/52/443013852.db2.gz YCSWGUGOWVTCSZ-SNVBAGLBSA-N 0 0 326.364 1.540 10 0 EDAERN Cc1ccn(C)c1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000189806410 443013948 /nfs/dbraw/zinc/01/39/48/443013948.db2.gz JOOWKYWHUVLXFS-UHFFFAOYSA-N 0 0 341.459 1.753 10 0 EDAERN CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC000189806461 443014258 /nfs/dbraw/zinc/01/42/58/443014258.db2.gz NMGWLAFPUMNGMT-UONOGXRCSA-N 0 0 343.443 1.887 10 0 EDAERN O=C(CN1CCO[C@H](c2nccs2)C1)NC(=O)NC1CCCC1 ZINC000195521196 443028614 /nfs/dbraw/zinc/02/86/14/443028614.db2.gz CUGPYEBCMREUBB-LBPRGKRZSA-N 0 0 338.433 1.285 10 0 EDAERN COC[C@@H](C)n1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000189935064 443032282 /nfs/dbraw/zinc/03/22/82/443032282.db2.gz KDWPFTNZGBYBNL-KGLIPLIRSA-N 0 0 348.407 1.220 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000184689460 443059487 /nfs/dbraw/zinc/05/94/87/443059487.db2.gz RUACRHNOJSDCMI-INIZCTEOSA-N 0 0 344.459 1.809 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000184691104 443060945 /nfs/dbraw/zinc/06/09/45/443060945.db2.gz FSDDEIGOWXRCMX-INIZCTEOSA-N 0 0 339.867 1.981 10 0 EDAERN C[C@@H](CNC(=O)N(C)CC1(O)CCCCCC1)N1CCOCC1 ZINC000190201674 443069403 /nfs/dbraw/zinc/06/94/03/443069403.db2.gz UKKSMFXVWAJYQK-HNNXBMFYSA-N 0 0 327.469 1.434 10 0 EDAERN CC(C)(C)OC(=O)CC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000222882847 443082558 /nfs/dbraw/zinc/08/25/58/443082558.db2.gz MAPMSAVDQMPFSC-GHMZBOCLSA-N 0 0 329.393 1.658 10 0 EDAERN C[C@@H](NC[C@H](O)CN1CCCC1=O)c1nc(-c2cccc(F)c2)no1 ZINC000185092902 443134532 /nfs/dbraw/zinc/13/45/32/443134532.db2.gz WZKQEKBHAUMPCP-RISCZKNCSA-N 0 0 348.378 1.510 10 0 EDAERN CCCCOc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000190420322 443104932 /nfs/dbraw/zinc/10/49/32/443104932.db2.gz MFABVOKHZQRUOM-CYBMUJFWSA-N 0 0 330.392 1.989 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C1 ZINC000190464359 443113547 /nfs/dbraw/zinc/11/35/47/443113547.db2.gz LRLVZTWYDBYMNP-OAHLLOKOSA-N 0 0 343.427 1.312 10 0 EDAERN Cc1ncoc1C(=O)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257182946 443118167 /nfs/dbraw/zinc/11/81/67/443118167.db2.gz HAEUYCCMTMZTSC-LBPRGKRZSA-N 0 0 329.347 1.290 10 0 EDAERN CN(CCN(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C1CC1 ZINC000185228655 443166498 /nfs/dbraw/zinc/16/64/98/443166498.db2.gz OVEWJPYFYMAWOB-GUYCJALGSA-N 0 0 342.505 1.738 10 0 EDAERN COCc1c(C(=O)NCCn2cc(C)cn2)cnn1-c1ccccc1 ZINC000185603824 443225672 /nfs/dbraw/zinc/22/56/72/443225672.db2.gz DFKDEPAZLCXQJG-UHFFFAOYSA-N 0 0 339.399 1.954 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCCc2nccs2)C12CCOCC2 ZINC000185641758 443232078 /nfs/dbraw/zinc/23/20/78/443232078.db2.gz UCWQJRZGRFREOC-QWHCGFSZSA-N 0 0 339.461 1.959 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NC3C[C@H](C)O[C@@H](C)C3)CCO2)c1 ZINC000245597716 443239139 /nfs/dbraw/zinc/23/91/39/443239139.db2.gz LVNOJRCAKMGFNW-DZKIICNBSA-N 0 0 336.436 1.558 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000190874197 443202222 /nfs/dbraw/zinc/20/22/22/443202222.db2.gz KFYGRBDBXBLRQV-INIZCTEOSA-N 0 0 345.443 1.511 10 0 EDAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000185475289 443206088 /nfs/dbraw/zinc/20/60/88/443206088.db2.gz GOHGKXNYHUGRTH-UONOGXRCSA-N 0 0 337.468 1.765 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)C1 ZINC000191486734 443301128 /nfs/dbraw/zinc/30/11/28/443301128.db2.gz JUHPBIMSCWUOJW-QGZVFWFLSA-N 0 0 343.427 1.510 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc(Br)ncc2Cl)C1 ZINC000191494357 443302927 /nfs/dbraw/zinc/30/29/27/443302927.db2.gz ZKCKYHNSFGBAKV-UHFFFAOYSA-N 0 0 332.585 1.458 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)C1 ZINC000191477406 443299901 /nfs/dbraw/zinc/29/99/01/443299901.db2.gz KFYLONFUTXEUBV-MRXNPFEDSA-N 0 0 329.400 1.003 10 0 EDAERN CC1=C[C@@]23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]2(O)[C@H]1O)[C@@H]1[C@H](C[C@H]3C)C1(C)C ZINC000267324869 443419120 /nfs/dbraw/zinc/41/91/20/443419120.db2.gz FOSYZKSOJUQLTD-AXOFBSIQSA-N 0 0 332.440 1.843 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)/C=C\c3cncc(O)c3)C2)n1 ZINC000492478628 320380501 /nfs/dbraw/zinc/38/05/01/320380501.db2.gz YAHSSGXWHDQARY-KJPDOMRESA-N 0 0 341.415 1.948 10 0 EDAERN C/C(=C\c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)o1)C(C)(C)C ZINC000328651524 444414894 /nfs/dbraw/zinc/41/48/94/444414894.db2.gz VZAVLXBNTSDBQY-UQSGXBNBSA-N 0 0 329.422 1.852 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(OCC4CC4)nc3)CCO2)o1 ZINC000328610606 444392816 /nfs/dbraw/zinc/39/28/16/444392816.db2.gz IOSXOOFPTLOLIM-CQSZACIVSA-N 0 0 344.371 1.776 10 0 EDAERN Cc1cn2nc(NC[C@H]3CCc4c(C(N)=O)cnn4C3)sc2n1 ZINC000328617864 444395866 /nfs/dbraw/zinc/39/58/66/444395866.db2.gz DDHNXMOWSGOQIC-SECBINFHSA-N 0 0 331.405 1.854 10 0 EDAERN CN(C)c1nccc([C@H]2CN(C(=O)c3cccn3C3CC3)CCO2)n1 ZINC000328622562 444398583 /nfs/dbraw/zinc/39/85/83/444398583.db2.gz IMAKYSUEJPRKSQ-MRXNPFEDSA-N 0 0 341.415 1.893 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc(N)nc(Cl)c2N)C1 ZINC000575434322 447861154 /nfs/dbraw/zinc/86/11/54/447861154.db2.gz NIZNLLNUCHUQKD-QMMMGPOBSA-N 0 0 342.831 1.528 10 0 EDAERN Cc1ccc(F)c(CC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 ZINC000570366430 447994354 /nfs/dbraw/zinc/99/43/54/447994354.db2.gz DUHJFSLEGHCQFZ-IIDMSEBBSA-N 0 0 334.391 1.619 10 0 EDAERN CCOc1ccc(C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)cn1 ZINC000583615499 448441374 /nfs/dbraw/zinc/44/13/74/448441374.db2.gz LPMRNTDPONYUGS-DZGCQCFKSA-N 0 0 330.388 1.864 10 0 EDAERN CN1C(=O)C[C@@H](NCc2cnn(-c3ccccc3)n2)[C@@H]1c1cccnc1 ZINC000583616555 448442962 /nfs/dbraw/zinc/44/29/62/448442962.db2.gz KWWYBEPXQFJGMZ-MJGOQNOKSA-N 0 0 348.410 1.724 10 0 EDAERN CC(C)Oc1nccnc1N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616883 448444103 /nfs/dbraw/zinc/44/41/03/448444103.db2.gz QSWJBUPMSXOVCW-QGZVFWFLSA-N 0 0 346.435 1.924 10 0 EDAERN CC(C)n1cc([C@@]2(O)CCN(C(=O)COC3CCCCC3)C2)nn1 ZINC000583618797 448448625 /nfs/dbraw/zinc/44/86/25/448448625.db2.gz NNJIOAKITIPVOC-QGZVFWFLSA-N 0 0 336.436 1.628 10 0 EDAERN Cc1ccc(-c2cnc(N)c(C(=O)N[C@H]3CCCCNC3=O)n2)cc1 ZINC000584662340 448591268 /nfs/dbraw/zinc/59/12/68/448591268.db2.gz ZDYIALYQKIIILR-ZDUSSCGKSA-N 0 0 339.399 1.433 10 0 EDAERN CCOC[C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@H]1c1cnn(C)c1 ZINC000585655706 448737364 /nfs/dbraw/zinc/73/73/64/448737364.db2.gz ONOBEBUTEVWVGT-ROUUACIJSA-N 0 0 342.443 1.945 10 0 EDAERN O=C(NC1CC(CO)C1)c1cccc(I)c1 ZINC000598531117 449448431 /nfs/dbraw/zinc/44/84/31/449448431.db2.gz QAMVOELMPSFGID-UHFFFAOYSA-N 0 0 331.153 1.792 10 0 EDAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1cc(Cl)cc(Cl)c1 ZINC000625593948 450442447 /nfs/dbraw/zinc/44/24/47/450442447.db2.gz CGNZFOGADUSOEO-MNOVXSKESA-N 0 0 326.201 1.422 10 0 EDAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1c(Cl)cccc1Cl ZINC000625594503 450442086 /nfs/dbraw/zinc/44/20/86/450442086.db2.gz FIXGIDOWIMCOEC-UWVGGRQHSA-N 0 0 326.201 1.422 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2c[nH]nc2N)C1 ZINC000616598894 450454273 /nfs/dbraw/zinc/45/42/73/450454273.db2.gz UYGJRCXXWSKDTG-GFCCVEGCSA-N 0 0 325.413 1.280 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@H]1c1ccc(CCO)cc1 ZINC000616687152 450460246 /nfs/dbraw/zinc/46/02/46/450460246.db2.gz WDHYAYSPSIAEFP-INIZCTEOSA-N 0 0 333.413 1.398 10 0 EDAERN CCn1cc(O[C@@H]2CN(C(=O)c3c[nH]c4ncccc34)C[C@H]2O)cn1 ZINC000628246431 451192898 /nfs/dbraw/zinc/19/28/98/451192898.db2.gz MFLFFGGCDCFGJP-HUUCEWRRSA-N 0 0 341.371 1.044 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cnn4cccnc34)C[C@@H](C)O2)n1 ZINC000628855982 451441117 /nfs/dbraw/zinc/44/11/17/451441117.db2.gz BGPCURRMESFOND-BXKDBHETSA-N 0 0 328.332 1.023 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000644286152 453245464 /nfs/dbraw/zinc/24/54/64/453245464.db2.gz QUMPQFZMUQYSMP-QGZVFWFLSA-N 0 0 346.402 1.815 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)NCc2ccoc2)[C@H]1c1nccn1C ZINC000667160500 453446990 /nfs/dbraw/zinc/44/69/90/453446990.db2.gz AMVISZFNMZIOIS-ZFWWWQNUSA-N 0 0 330.388 1.629 10 0 EDAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCn2ccnc2C1 ZINC000668605473 485939186 /nfs/dbraw/zinc/93/91/86/485939186.db2.gz QEDOMQACMUBVKZ-UKRRQHHQSA-N 0 0 329.404 1.610 10 0 EDAERN O=C(c1ccc(OCC2CC2)cc1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671502961 486629910 /nfs/dbraw/zinc/62/99/10/486629910.db2.gz OSPPLEDMQLZSOO-SFHVURJKSA-N 0 0 342.399 1.344 10 0 EDAERN O=C(c1ccc(OCC2CC2)cc1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671502956 486630054 /nfs/dbraw/zinc/63/00/54/486630054.db2.gz OSPPLEDMQLZSOO-GOSISDBHSA-N 0 0 342.399 1.344 10 0 EDAERN C[C@@H](C(=O)N(C)CCOCC1CC1)N1C(=O)c2ccccc2C1=O ZINC000088239620 491194233 /nfs/dbraw/zinc/19/42/33/491194233.db2.gz ROUSBYOOTKFFHE-LBPRGKRZSA-N 0 0 330.384 1.556 10 0 EDAERN Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2CCN2CCOCC2)n1 ZINC000065288854 490997326 /nfs/dbraw/zinc/99/73/26/490997326.db2.gz ZQKVNQJHHGYZSJ-SFHVURJKSA-N 0 0 348.491 1.993 10 0 EDAERN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313467 490997392 /nfs/dbraw/zinc/99/73/92/490997392.db2.gz YXLZSYNWSHEDPW-CYBMUJFWSA-N 0 0 342.399 1.942 10 0 EDAERN COCC(=O)N(C)CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000130181600 491002794 /nfs/dbraw/zinc/00/27/94/491002794.db2.gz QBTWMWXGLNNGHV-SNVBAGLBSA-N 0 0 343.221 1.731 10 0 EDAERN COC(=O)Cn1ccc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000187441867 533827496 /nfs/dbraw/zinc/82/74/96/533827496.db2.gz MSFPFUIEHHSHTA-STQMWFEESA-N 0 0 330.388 1.734 10 0 EDAERN COc1cc(CNC(=O)N2CC(NC(C)=O)C2)c2ccccc2n1 ZINC000190220235 533839166 /nfs/dbraw/zinc/83/91/66/533839166.db2.gz AURSWLZWOABZJN-UHFFFAOYSA-N 0 0 328.372 1.273 10 0 EDAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cnc1Cl ZINC000130050715 533936013 /nfs/dbraw/zinc/93/60/13/533936013.db2.gz HLVHAOZOYKJAKQ-ZYHUDNBSSA-N 0 0 325.796 1.649 10 0 EDAERN C[C@H](NS(=O)(=O)Cc1ccccc1C(N)=S)[C@@H]1CCOC1 ZINC000166237276 533959031 /nfs/dbraw/zinc/95/90/31/533959031.db2.gz RKIHYCXUSQAFBW-WDEREUQCSA-N 0 0 328.459 1.165 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(N)cc1Br)[C@@H]1CCOC1 ZINC000165930776 533967415 /nfs/dbraw/zinc/96/74/15/533967415.db2.gz WBCZFYFLLFBKTR-DTWKUNHWSA-N 0 0 349.250 1.735 10 0 EDAERN Cc1cc(S(=O)(=O)N(CCO)CC(F)(F)F)cc(N)c1F ZINC000164491279 534033718 /nfs/dbraw/zinc/03/37/18/534033718.db2.gz BAJNODRKNHHLFR-UHFFFAOYSA-N 0 0 330.303 1.262 10 0 EDAERN C[C@H](O)C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000153769774 534093006 /nfs/dbraw/zinc/09/30/06/534093006.db2.gz RGIOBOFFEREJFP-CWRNSKLLSA-N 0 0 343.431 1.447 10 0 EDAERN C[C@H](O)[C@H]1CCN(CC(=O)Nc2ccc(N)cc2Br)C1 ZINC000167646749 534108928 /nfs/dbraw/zinc/10/89/28/534108928.db2.gz NZOPQPYCMAYNMM-UWVGGRQHSA-N 0 0 342.237 1.673 10 0 EDAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1N ZINC000166806214 534148965 /nfs/dbraw/zinc/14/89/65/534148965.db2.gz LVNSWYXAURZXLW-YUMQZZPRSA-N 0 0 337.239 1.327 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)CS(=O)(=O)C(C)(C)C ZINC000179588761 534154100 /nfs/dbraw/zinc/15/41/00/534154100.db2.gz ROIVXKUHAOZZNC-ZDUSSCGKSA-N 0 0 327.446 1.921 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)CNC(=O)c1cccnc1 ZINC000178200703 534155112 /nfs/dbraw/zinc/15/51/12/534155112.db2.gz ZMPRPZPVPQZHKO-AWEZNQCLSA-N 0 0 327.384 1.533 10 0 EDAERN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NCC(=O)NCC1CC1 ZINC000183789011 534199678 /nfs/dbraw/zinc/19/96/78/534199678.db2.gz ZTNAUZGJILLLPL-CMPLNLGQSA-N 0 0 325.434 1.386 10 0 EDAERN C[C@@H](Cn1nnnc1-c1cccc(N)c1Br)[S@@](C)=O ZINC000166186954 534275711 /nfs/dbraw/zinc/27/57/11/534275711.db2.gz ZIBZFXMAJCLELG-IIYDVTGLSA-N 0 0 344.238 1.452 10 0 EDAERN COC(=O)c1ccccc1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000157806879 534294141 /nfs/dbraw/zinc/29/41/41/534294141.db2.gz DXUZKELPWVWHDK-UHFFFAOYSA-N 0 0 349.412 1.765 10 0 EDAERN C[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000173836659 534308738 /nfs/dbraw/zinc/30/87/38/534308738.db2.gz QFCWCRJOQUGNRO-QAPCUYQASA-N 0 0 327.428 1.820 10 0 EDAERN COC(=O)c1coc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000153634212 534318856 /nfs/dbraw/zinc/31/88/56/534318856.db2.gz UKUAICGSPSCGQZ-LBPRGKRZSA-N 0 0 339.373 1.116 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCN1C(=O)CCC1=O)[C@@H](C)C2 ZINC000181284354 534444818 /nfs/dbraw/zinc/44/48/18/534444818.db2.gz LSUMOYVDONGPAU-YVEFUNNKSA-N 0 0 329.400 1.677 10 0 EDAERN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccnc2ccncc21 ZINC000333322312 534462326 /nfs/dbraw/zinc/46/23/26/534462326.db2.gz LKWGZUMVCMKLDI-AWEZNQCLSA-N 0 0 344.440 1.938 10 0 EDAERN O=C(NC[C@@H]1CCCS1(=O)=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000153411805 534583409 /nfs/dbraw/zinc/58/34/09/534583409.db2.gz NSEQYAGTXXEJIP-SRVKXCTJSA-N 0 0 329.368 1.762 10 0 EDAERN Nc1cccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c1Br ZINC000158995952 534738956 /nfs/dbraw/zinc/73/89/56/534738956.db2.gz QYPUTIQTKFOVCP-VIFPVBQESA-N 0 0 338.205 1.478 10 0 EDAERN Nc1cnc(NC(=O)[C@@H]2CCCCS2(=O)=O)c(Br)c1 ZINC000167850024 534744986 /nfs/dbraw/zinc/74/49/86/534744986.db2.gz SLDDLTKZSDZBDQ-VIFPVBQESA-N 0 0 348.222 1.332 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(NC=O)cc3)CCO2)c1 ZINC000174806021 534748148 /nfs/dbraw/zinc/74/81/48/534748148.db2.gz FGZFONYYKSKRRK-INIZCTEOSA-N 0 0 328.372 1.301 10 0 EDAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cnc2N)cn1 ZINC000153227210 534755162 /nfs/dbraw/zinc/75/51/62/534755162.db2.gz SDFYVYMURIYLHF-NSHDSACASA-N 0 0 341.824 1.577 10 0 EDAERN Cc1cccnc1Cn1cnc(C)c(I)c1=O ZINC000166260357 534849588 /nfs/dbraw/zinc/84/95/88/534849588.db2.gz FCKTXVYYYPQZLZ-UHFFFAOYSA-N 0 0 341.152 1.908 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000151665123 534910452 /nfs/dbraw/zinc/91/04/52/534910452.db2.gz XSARQXBUUNJYBU-OAHLLOKOSA-N 0 0 335.452 1.994 10 0 EDAERN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000175706811 526392739 /nfs/dbraw/zinc/39/27/39/526392739.db2.gz YJIAQWHHHCCXEC-ZDUSSCGKSA-N 0 0 349.435 1.876 10 0 EDAERN CC(C)(C)Oc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000133107344 526578116 /nfs/dbraw/zinc/57/81/16/526578116.db2.gz DAPRWLKOWZDUSX-OAHLLOKOSA-N 0 0 336.432 1.287 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)Nc3nncs3)CC2)cn1 ZINC000172178192 526920553 /nfs/dbraw/zinc/92/05/53/526920553.db2.gz UIJSKBSEUQLWEU-UHFFFAOYSA-N 0 0 349.464 1.839 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173665195 527397434 /nfs/dbraw/zinc/39/74/34/527397434.db2.gz UTMDKWJBVJBADE-HNNXBMFYSA-N 0 0 343.387 1.328 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CN(C)CCO2)C1(CC)CC ZINC000175762325 527794714 /nfs/dbraw/zinc/79/47/14/527794714.db2.gz XQBNDDVBIMTUKF-BZUAXINKSA-N 0 0 341.496 1.942 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1cccc(OC)n1 ZINC000174470397 528062054 /nfs/dbraw/zinc/06/20/54/528062054.db2.gz AKPMBUGNLGNIGS-CQSZACIVSA-N 0 0 334.420 1.633 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](O)c1ccccc1)CC2 ZINC000181747564 528479509 /nfs/dbraw/zinc/47/95/09/528479509.db2.gz CSLSBAGLYDKEAU-CABCVRRESA-N 0 0 343.431 1.749 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000130477284 528546913 /nfs/dbraw/zinc/54/69/13/528546913.db2.gz JKFOXTHAMBGASC-MRXNPFEDSA-N 0 0 348.443 1.454 10 0 EDAERN CCCNc1nnc(Cn2cncc(Br)c2=O)s1 ZINC000159532485 528573727 /nfs/dbraw/zinc/57/37/27/528573727.db2.gz DWHWBFYCTCZBGR-UHFFFAOYSA-N 0 0 330.211 1.728 10 0 EDAERN CC(C)n1cncc1Cn1ncc(I)cc1=O ZINC000158575635 528629949 /nfs/dbraw/zinc/62/99/49/528629949.db2.gz OHKDDECBHWUIAP-UHFFFAOYSA-N 0 0 344.156 1.674 10 0 EDAERN CCOC(=O)CCCNS(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164767918 528711178 /nfs/dbraw/zinc/71/11/78/528711178.db2.gz WGMJYXXWBYCLLQ-UHFFFAOYSA-N 0 0 334.825 1.852 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)c1nccs1 ZINC000183581832 528808665 /nfs/dbraw/zinc/80/86/65/528808665.db2.gz MLHREDFTPOVWLK-NEPJUHHUSA-N 0 0 345.490 1.567 10 0 EDAERN CCCC[C@H](C(=O)OC)N1CCN(c2nccc(OCC)n2)CC1 ZINC000173336110 528879436 /nfs/dbraw/zinc/87/94/36/528879436.db2.gz NTXPHVGRWRULCL-CQSZACIVSA-N 0 0 336.436 1.729 10 0 EDAERN CCC[C@@H](C)NC(=O)Cn1ncc(I)cc1=O ZINC000158589834 528894266 /nfs/dbraw/zinc/89/42/66/528894266.db2.gz QWYPPMYLPQXIGZ-MRVPVSSYSA-N 0 0 349.172 1.153 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171334340 528986313 /nfs/dbraw/zinc/98/63/13/528986313.db2.gz RMAHZSUAVHNYFV-OLZOCXBDSA-N 0 0 337.424 1.386 10 0 EDAERN CC(C)N1CCO[C@@H](c2nsc(I)n2)C1 ZINC000166109063 529050081 /nfs/dbraw/zinc/05/00/81/529050081.db2.gz VGFDMMRNBBTFIC-SSDOTTSWSA-N 0 0 339.202 1.924 10 0 EDAERN CC(C)NC(=O)[C@@H]1COCCN1c1ncc(Br)cc1N ZINC000159300010 529146811 /nfs/dbraw/zinc/14/68/11/529146811.db2.gz KKUCDTBXYIZRRH-NSHDSACASA-N 0 0 343.225 1.156 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000159004849 529171503 /nfs/dbraw/zinc/17/15/03/529171503.db2.gz PWCVAMRZWGALKY-ZFWWWQNUSA-N 0 0 338.473 1.939 10 0 EDAERN CC[C@@H]1C(=O)NC(C)(C)C(=O)N1Cc1cncc(Br)c1 ZINC000168885937 529265075 /nfs/dbraw/zinc/26/50/75/529265075.db2.gz HCDYSKZOFSKUBO-LLVKDONJSA-N 0 0 340.221 1.860 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(OCCO)cc2)CCS1 ZINC000158374179 529300416 /nfs/dbraw/zinc/30/04/16/529300416.db2.gz CSABXKJPJADZKY-ZDUSSCGKSA-N 0 0 331.459 1.574 10 0 EDAERN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000189825727 529373235 /nfs/dbraw/zinc/37/32/35/529373235.db2.gz QEKYJMYDAZNEFJ-GFCCVEGCSA-N 0 0 346.431 1.245 10 0 EDAERN CC1(C)NC(=O)N(CCCC(=O)N2CCC(c3cc[nH]n3)CC2)C1=O ZINC000125701312 534976442 /nfs/dbraw/zinc/97/64/42/534976442.db2.gz NWMKIFFMUWQAAV-UHFFFAOYSA-N 0 0 347.419 1.226 10 0 EDAERN CCCN1C[C@H](CNC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)CC1=O ZINC000333670307 534996905 /nfs/dbraw/zinc/99/69/05/534996905.db2.gz CMSHMUJIMFBXMG-YXJHDRRASA-N 0 0 337.464 1.844 10 0 EDAERN CCCNC(=O)CCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116778028 535015427 /nfs/dbraw/zinc/01/54/27/535015427.db2.gz MWQMOCJSSRNDRI-OAHLLOKOSA-N 0 0 335.452 1.440 10 0 EDAERN CC(C)(O)CN(Cc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000180620401 535302170 /nfs/dbraw/zinc/30/21/70/535302170.db2.gz CEGJIWFBYQNOIU-HNNXBMFYSA-N 0 0 343.431 1.576 10 0 EDAERN CCO[C@H](C)O[C@@H]1[C@H]2OC(C)(C)O[C@@H]2[C@H](O)[C@H]2OC(C)(C)O[C@H]21 ZINC000256007251 535556936 /nfs/dbraw/zinc/55/69/36/535556936.db2.gz VPKJZKUJGTXJPV-DQDHUVNJSA-N 0 0 332.393 1.169 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3nc([C@@H](C)OC)no3)CC2)n1 ZINC000175194897 535558110 /nfs/dbraw/zinc/55/81/10/535558110.db2.gz QWIDIFWLHGAVTH-GFCCVEGCSA-N 0 0 348.407 1.288 10 0 EDAERN CCOCCN1CCN([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1C ZINC000247042119 535605500 /nfs/dbraw/zinc/60/55/00/535605500.db2.gz DVIZDEQJOODJAF-CVEARBPZSA-N 0 0 325.497 1.866 10 0 EDAERN CCC[C@H](CCO)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000175133161 535670720 /nfs/dbraw/zinc/67/07/20/535670720.db2.gz SRWHVJHANFHRTO-KGLIPLIRSA-N 0 0 337.468 1.814 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)c1ccccc1)CC2 ZINC000114976176 536164017 /nfs/dbraw/zinc/16/40/17/536164017.db2.gz CIVNMAGVHXYTCT-ZIAGYGMSSA-N 0 0 329.404 1.188 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCCc2cccc(Cl)c2)C1 ZINC000188551520 536770236 /nfs/dbraw/zinc/77/02/36/536770236.db2.gz FFGOPRRCMPGLBP-UHFFFAOYSA-N 0 0 339.823 1.429 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2ccc3ccccc3c2)C1 ZINC000185374765 536770777 /nfs/dbraw/zinc/77/07/77/536770777.db2.gz KXRRKNWKVMKIEA-UHFFFAOYSA-N 0 0 327.384 1.496 10 0 EDAERN COCCN1CCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)C[C@@H]1C ZINC000246984350 536865507 /nfs/dbraw/zinc/86/55/07/536865507.db2.gz FQUCHMPQAHUJQF-HOTGVXAUSA-N 0 0 347.459 1.374 10 0 EDAERN O=C(C=Cc1ccc2c(c1)OCCO2)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000793509901 580846473 /nfs/dbraw/zinc/84/64/73/580846473.db2.gz QVVRRJFBTXMYFQ-QDOCKXBDSA-N 0 0 342.355 1.189 10 0 EDAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000888077598 590933013 /nfs/dbraw/zinc/93/30/13/590933013.db2.gz KOMGSKVTBSEVBR-SFHVURJKSA-N 0 0 344.463 1.696 10 0 EDAERN CCc1nc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)co1 ZINC000888095222 591025816 /nfs/dbraw/zinc/02/58/16/591025816.db2.gz UIHKOCFGMKULQN-SNVBAGLBSA-N 0 0 331.376 1.428 10 0 EDAERN Cc1cc(C)c(C(=O)N2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)[nH]1 ZINC000888098198 591028320 /nfs/dbraw/zinc/02/83/20/591028320.db2.gz GZZLNYLYSTYTTG-GFCCVEGCSA-N 0 0 343.387 1.163 10 0 EDAERN COCCN1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)C[C@H]1C ZINC000896421310 591462398 /nfs/dbraw/zinc/46/23/98/591462398.db2.gz WUQXYEMGUUUMKW-CZUORRHYSA-N 0 0 331.416 1.040 10 0 EDAERN CN1C(=O)CC[C@H](c2nc(Cn3ccnn3)no2)[C@H]1c1ccccc1 ZINC000896693346 591583358 /nfs/dbraw/zinc/58/33/58/591583358.db2.gz LCENPCCYBAZSOV-XJKSGUPXSA-N 0 0 338.371 1.787 10 0 EDAERN COc1nccc(CN2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)n1 ZINC000818191017 593680324 /nfs/dbraw/zinc/68/03/24/593680324.db2.gz NRBJYYYMZGRTJK-QGZVFWFLSA-N 0 0 345.403 1.315 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccoc2Cl)cn1 ZINC000818598797 593706748 /nfs/dbraw/zinc/70/67/48/593706748.db2.gz SOGVTDKYMLLUFH-NWDGAFQWSA-N 0 0 325.752 1.726 10 0 EDAERN Cc1nnc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(C)C2)s1 ZINC000823044445 594143763 /nfs/dbraw/zinc/14/37/63/594143763.db2.gz DWPGXNGSJYBBSH-CQSZACIVSA-N 0 0 341.437 1.384 10 0 EDAERN C[C@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)c1nc2ccccc2[nH]1 ZINC000102127447 594841086 /nfs/dbraw/zinc/84/10/86/594841086.db2.gz QOFRTMMUXDOIQR-JTQLQIEISA-N 0 0 342.359 1.161 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3cc(C)ccc23)CC1 ZINC000106395510 595263493 /nfs/dbraw/zinc/26/34/93/595263493.db2.gz AXNJDVYYWYTOOJ-INIZCTEOSA-N 0 0 329.444 1.934 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CN3C[C@@H](C(C)C)CC3=O)CC2)n1 ZINC000113245579 595676020 /nfs/dbraw/zinc/67/60/20/595676020.db2.gz URYVXUDJCJEXIJ-CABCVRRESA-N 0 0 349.479 1.773 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCc1cc2ccccc2[nH]c1=O ZINC000114624145 596090133 /nfs/dbraw/zinc/09/01/33/596090133.db2.gz YGEPPRBHIOYEMB-LLVKDONJSA-N 0 0 340.335 1.983 10 0 EDAERN CCc1csc([C@H]2CCCN(Cn3nc(COC)oc3=O)C2)n1 ZINC000119618554 596674019 /nfs/dbraw/zinc/67/40/19/596674019.db2.gz NXCYYLJNDMAERW-NSHDSACASA-N 0 0 338.433 1.839 10 0 EDAERN Cc1nc(C(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)no1 ZINC000124191671 597014867 /nfs/dbraw/zinc/01/48/67/597014867.db2.gz NBEFZJMWWBCPBX-ZYHUDNBSSA-N 0 0 336.417 1.631 10 0 EDAERN CS(=O)(=O)NCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174859803 697133037 /nfs/dbraw/zinc/13/30/37/697133037.db2.gz JDFIZGRFJITHRA-HUUCEWRRSA-N 0 0 340.445 1.040 10 0 EDAERN CCOC(=O)[C@@]1(C)CC(=O)N(CN2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000184875024 698522323 /nfs/dbraw/zinc/52/23/23/698522323.db2.gz YCOOBKHBHAIPHA-YJBOKZPZSA-N 0 0 348.447 1.588 10 0 EDAERN CCc1nn(C)cc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180084157 698586267 /nfs/dbraw/zinc/58/62/67/698586267.db2.gz FKZUWZIOQXUUNR-IBGZPJMESA-N 0 0 328.460 1.834 10 0 EDAERN CCN(CC)S(=O)(=O)CC(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000181528798 699738711 /nfs/dbraw/zinc/73/87/11/699738711.db2.gz BUYHNOIKPNHGGD-LLVKDONJSA-N 0 0 339.417 1.839 10 0 EDAERN Cn1cc([C@H]2[C@H](C(=O)OCC3(C#N)CCC3)CCC(=O)N2C)cn1 ZINC000183843256 702696255 /nfs/dbraw/zinc/69/62/55/702696255.db2.gz UVQNAMRKWQCINO-HIFRSBDPSA-N 0 0 330.388 1.567 10 0 EDAERN Cn1nccc1CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000185855611 705647223 /nfs/dbraw/zinc/64/72/23/705647223.db2.gz MBINXVGGVGXWME-WBVHZDCISA-N 0 0 344.390 1.438 10 0 EDAERN Nc1ccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000050350898 214052995 /nfs/dbraw/zinc/05/29/95/214052995.db2.gz LEUCXXREDMUYDN-UHFFFAOYSA-N 0 0 338.838 1.241 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)NCc1ccco1 ZINC000050637124 214063297 /nfs/dbraw/zinc/06/32/97/214063297.db2.gz IMMHFQMNJXBZQF-UHFFFAOYSA-N 0 0 346.206 1.957 10 0 EDAERN CCN(C1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000050651838 214063331 /nfs/dbraw/zinc/06/33/31/214063331.db2.gz QSVZBBNIFFKDID-UHFFFAOYSA-N 0 0 332.447 1.305 10 0 EDAERN CCCNc1ccccc1S(=O)(=O)NCCCS(C)(=O)=O ZINC000050671328 214065992 /nfs/dbraw/zinc/06/59/92/214065992.db2.gz IZIZXMOVSWKEDG-UHFFFAOYSA-N 0 0 334.463 1.222 10 0 EDAERN CCCNc1ccc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000050712141 214068075 /nfs/dbraw/zinc/06/80/75/214068075.db2.gz DLHTUBKZGCVWEM-VIFPVBQESA-N 0 0 331.825 1.474 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N[C@@H](C)C(=O)NC ZINC000050787637 214070713 /nfs/dbraw/zinc/07/07/13/214070713.db2.gz JMMYQPQBKPXVDW-ZETCQYMHSA-N 0 0 329.198 1.140 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N(C)C[C@@H](O)COC ZINC000050790814 214071038 /nfs/dbraw/zinc/07/10/38/214071038.db2.gz HLIIPXLRIYZJLV-SNVBAGLBSA-N 0 0 346.225 1.355 10 0 EDAERN O=C(CNC(=O)[C@H]1CCC(=O)N1c1ccccc1)N1CCCCC1 ZINC000062518350 214720831 /nfs/dbraw/zinc/72/08/31/214720831.db2.gz XYUCFBKDAXYUJN-OAHLLOKOSA-N 0 0 329.400 1.311 10 0 EDAERN CCNC(=O)CCN1C(=O)C(=O)c2cc(Br)cc(C)c21 ZINC000051760437 214103132 /nfs/dbraw/zinc/10/31/32/214103132.db2.gz IZIUEHWTCVOQMY-UHFFFAOYSA-N 0 0 339.189 1.813 10 0 EDAERN C[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000051639458 214099239 /nfs/dbraw/zinc/09/92/39/214099239.db2.gz ZBKWVFBSYGTAMS-VIFPVBQESA-N 0 0 342.193 1.075 10 0 EDAERN CCOCc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000052311485 214125419 /nfs/dbraw/zinc/12/54/19/214125419.db2.gz PYVKFNKYUFWAIU-QGZVFWFLSA-N 0 0 347.459 1.392 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000052606201 214137159 /nfs/dbraw/zinc/13/71/59/214137159.db2.gz UUQUYEGDVPLMDG-OAHLLOKOSA-N 0 0 342.436 1.988 10 0 EDAERN O=S(=O)(c1cccc2nsnc21)N1CCC[C@@H]1CCCO ZINC000052761112 214142961 /nfs/dbraw/zinc/14/29/61/214142961.db2.gz FWNQROHRORCBAH-SNVBAGLBSA-N 0 0 327.431 1.617 10 0 EDAERN O=S1CCN(CC[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000053973299 214208630 /nfs/dbraw/zinc/20/86/30/214208630.db2.gz RUEWUYACGRRVQN-CYBMUJFWSA-N 0 0 332.263 1.937 10 0 EDAERN NC(=S)CCCNS(=O)(=O)c1cccc(Br)c1 ZINC000054137262 214219065 /nfs/dbraw/zinc/21/90/65/214219065.db2.gz YITNLHGBAASPSV-UHFFFAOYSA-N 0 0 337.264 1.794 10 0 EDAERN CN(C(=O)Cc1ccc(N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000062631961 214725839 /nfs/dbraw/zinc/72/58/39/214725839.db2.gz JFFGFXGOWBRKDB-INIZCTEOSA-N 0 0 336.457 1.475 10 0 EDAERN COCCNCc1nnnn1[C@H](C)c1ccc(Br)cc1 ZINC000054747841 214253487 /nfs/dbraw/zinc/25/34/87/214253487.db2.gz IUNSFJZJALINDU-SNVBAGLBSA-N 0 0 340.225 1.781 10 0 EDAERN Nc1n[nH]c(C(=O)N(Cc2ccccc2Br)C2CC2)n1 ZINC000055167575 214281575 /nfs/dbraw/zinc/28/15/75/214281575.db2.gz VIFPFUMOSWNIKX-UHFFFAOYSA-N 0 0 336.193 1.954 10 0 EDAERN CC(C)(C)OC(=O)CS(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000097758725 219055057 /nfs/dbraw/zinc/05/50/57/219055057.db2.gz RVFJYLZAWVWBOU-NSHDSACASA-N 0 0 349.449 1.752 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)n1 ZINC000173587883 230979136 /nfs/dbraw/zinc/97/91/36/230979136.db2.gz VEXNKFWOGYMRGS-HUUCEWRRSA-N 0 0 336.505 1.793 10 0 EDAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173690450 231006549 /nfs/dbraw/zinc/00/65/49/231006549.db2.gz LLZLZJKEZAGAON-NSHDSACASA-N 0 0 334.767 1.129 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3cn4cc(Cl)ccc4n3)CCO2)[nH]1 ZINC000173674449 231002524 /nfs/dbraw/zinc/00/25/24/231002524.db2.gz QLPXPGZNLVHMIQ-ZDUSSCGKSA-N 0 0 332.795 1.988 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000173734450 231018156 /nfs/dbraw/zinc/01/81/56/231018156.db2.gz XNGIKYDKALQPQZ-AWEZNQCLSA-N 0 0 336.417 1.492 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)Cc3ccccc3F)CCO2)[nH]1 ZINC000173736456 231018818 /nfs/dbraw/zinc/01/88/18/231018818.db2.gz HAYKBXHVPCKXQG-ZDUSSCGKSA-N 0 0 340.380 1.156 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3C)CCO2)[nH]1 ZINC000173736300 231018983 /nfs/dbraw/zinc/01/89/83/231018983.db2.gz HQJXQXYUXJLFGW-GFCCVEGCSA-N 0 0 340.380 1.323 10 0 EDAERN C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@@H]1N1CCOCC1 ZINC000173832733 231046610 /nfs/dbraw/zinc/04/66/10/231046610.db2.gz OTUBTBKZYZUMAG-GUYCJALGSA-N 0 0 345.443 1.046 10 0 EDAERN Cc1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1C(N)=O ZINC000173900607 231065021 /nfs/dbraw/zinc/06/50/21/231065021.db2.gz MKMWYFAXWIYZAH-AWEZNQCLSA-N 0 0 332.404 1.032 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000055982904 214352017 /nfs/dbraw/zinc/35/20/17/214352017.db2.gz CFWRVEALDDWHHJ-GFCCVEGCSA-N 0 0 338.839 1.431 10 0 EDAERN Nc1ncc(Br)cc1C(=O)NCCc1nccs1 ZINC000063141352 214745957 /nfs/dbraw/zinc/74/59/57/214745957.db2.gz FMXXWMIXIDIMBJ-UHFFFAOYSA-N 0 0 327.207 1.855 10 0 EDAERN COC(=O)c1ccc(C(=O)N2CCN(c3c(C)n[nH]c3C)CC2)cc1 ZINC000056935192 214396296 /nfs/dbraw/zinc/39/62/96/214396296.db2.gz YHSJFAKXKPKJFK-UHFFFAOYSA-N 0 0 342.399 1.776 10 0 EDAERN Cc1ncc2n1CC[C@@H](C(=O)N1CC[C@@H](N3CCOCC3)[C@H]1C)C2 ZINC000329590911 282175976 /nfs/dbraw/zinc/17/59/76/282175976.db2.gz TYTYLMJGAWUPNK-FRFSOERESA-N 0 0 332.448 1.076 10 0 EDAERN CCc1cccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000180968463 529545643 /nfs/dbraw/zinc/54/56/43/529545643.db2.gz MLMYGYNYXZOYPZ-OAHLLOKOSA-N 0 0 334.445 1.941 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccnc(Cl)c3)C2=O)n(C)n1 ZINC000175014582 231366482 /nfs/dbraw/zinc/36/64/82/231366482.db2.gz BNLGWOSMNNNOJU-GFCCVEGCSA-N 0 0 347.806 1.702 10 0 EDAERN CC[C@H](C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1)N1CCCC1=O ZINC000175850858 529618399 /nfs/dbraw/zinc/61/83/99/529618399.db2.gz BNWPHCCPKSIFIL-QWHCGFSZSA-N 0 0 333.436 1.234 10 0 EDAERN COc1cc(OC)cc(C(=O)NCCc2nn3c(C)nnc3s2)c1 ZINC000049721650 214028885 /nfs/dbraw/zinc/02/88/85/214028885.db2.gz YPYZFSFUQGMSMY-UHFFFAOYSA-N 0 0 347.400 1.484 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000164454557 529667594 /nfs/dbraw/zinc/66/75/94/529667594.db2.gz NPVGMFDYFOTPMM-OAHLLOKOSA-N 0 0 349.406 1.260 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1S(C)(=O)=O ZINC000049676799 214026961 /nfs/dbraw/zinc/02/69/61/214026961.db2.gz FINFEYZRGPQIOO-NSHDSACASA-N 0 0 330.793 1.538 10 0 EDAERN C[C@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000098075716 219079454 /nfs/dbraw/zinc/07/94/54/219079454.db2.gz SZZIDJAAFZPJOP-JSGCOSHPSA-N 0 0 332.425 1.586 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 ZINC000189608618 529699607 /nfs/dbraw/zinc/69/96/07/529699607.db2.gz BTYQIUULVXEPJZ-AWEZNQCLSA-N 0 0 331.416 1.705 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](C)c3cn(C)nc3C)CCO2)[nH]1 ZINC000178143169 529700848 /nfs/dbraw/zinc/70/08/48/529700848.db2.gz XYCRLDYXOVOVJI-ZWNOBZJWSA-N 0 0 347.423 1.253 10 0 EDAERN CCOC(=O)[C@@]1(C(F)(F)F)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000098090828 219083384 /nfs/dbraw/zinc/08/33/84/219083384.db2.gz DTYJPFWFBVNTIU-MTATWXBHSA-N 0 0 337.319 1.864 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(=O)n(C)c2)cc1 ZINC000180980885 529719837 /nfs/dbraw/zinc/71/98/37/529719837.db2.gz GYFFXIZTIPAMHO-LBPRGKRZSA-N 0 0 327.384 1.764 10 0 EDAERN COc1ccc2nc(N3CC(C(=O)N4CCOCC4)C3)sc2c1 ZINC000062167189 214703155 /nfs/dbraw/zinc/70/31/55/214703155.db2.gz DQGRGAUKHHGZAF-UHFFFAOYSA-N 0 0 333.413 1.600 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CO)cc1Cl ZINC000121121480 282291549 /nfs/dbraw/zinc/29/15/49/282291549.db2.gz WSWWGTWGNSEFBN-LLVKDONJSA-N 0 0 325.796 1.328 10 0 EDAERN O=C(CN1CCN(c2ccccc2F)C1=O)N[C@H]1CCSC1=O ZINC000049381423 214003964 /nfs/dbraw/zinc/00/39/64/214003964.db2.gz MDLDHXSUJFOKKF-NSHDSACASA-N 0 0 337.376 1.216 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153947673 529923196 /nfs/dbraw/zinc/92/31/96/529923196.db2.gz PCYQKPXSEQNHQK-CYBMUJFWSA-N 0 0 342.355 1.017 10 0 EDAERN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171635326 529987723 /nfs/dbraw/zinc/98/77/23/529987723.db2.gz JGOLCTRQENRJIQ-MRXNPFEDSA-N 0 0 331.395 1.713 10 0 EDAERN CN(Cc1cnn(C)c1)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000187095387 530017949 /nfs/dbraw/zinc/01/79/49/530017949.db2.gz WOTGDYBUXCUVII-QWHCGFSZSA-N 0 0 340.399 1.726 10 0 EDAERN CC(=O)c1cc(Br)ccc1O[C@@H](C)C(=O)NC(N)=O ZINC000047819337 213868561 /nfs/dbraw/zinc/86/85/61/213868561.db2.gz YPYDIXWLGLIDBT-ZETCQYMHSA-N 0 0 329.150 1.614 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCC(=O)NC2CC2)C1 ZINC000101793054 219164452 /nfs/dbraw/zinc/16/44/52/219164452.db2.gz GUBQMQYLMJNPIP-CQSZACIVSA-N 0 0 338.452 1.136 10 0 EDAERN CCOC(=O)c1cnn(CCOC(=O)C2CC2)c1NC(=O)C1CC1 ZINC000004035339 210106091 /nfs/dbraw/zinc/10/60/91/210106091.db2.gz RUGHNOHEZZMTBR-UHFFFAOYSA-N 0 0 335.360 1.362 10 0 EDAERN C[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000004005113 210098641 /nfs/dbraw/zinc/09/86/41/210098641.db2.gz SJSOJXVJXWYDPF-UTUOFQBUSA-N 0 0 338.367 1.263 10 0 EDAERN CNC(=O)c1ccc(NCC(=O)Nc2cccc(C(N)=O)c2)cc1 ZINC000066109528 215012644 /nfs/dbraw/zinc/01/26/44/215012644.db2.gz UNTHCANSKKUSAW-UHFFFAOYSA-N 0 0 326.356 1.196 10 0 EDAERN COc1ccc(OC[C@H]2SCCN2C(=O)Cn2ccnc2)cc1 ZINC000003786197 210075387 /nfs/dbraw/zinc/07/53/87/210075387.db2.gz NFVMEWLXJNWRCV-MRXNPFEDSA-N 0 0 333.413 1.872 10 0 EDAERN COc1ccc(-n2c(C)c(Br)c(=O)n(C)c2=O)cc1 ZINC000003624379 210069527 /nfs/dbraw/zinc/06/95/27/210069527.db2.gz FHRLTWGKGJQEQG-UHFFFAOYSA-N 0 0 325.162 1.616 10 0 EDAERN Ic1ccccc1Oc1cncc2nnnn21 ZINC000044610186 213636695 /nfs/dbraw/zinc/63/66/95/213636695.db2.gz PFPULHVMOAIPIS-UHFFFAOYSA-N 0 0 339.096 1.916 10 0 EDAERN O=C(c1ccc(O)cc1O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000179483776 233086566 /nfs/dbraw/zinc/08/65/66/233086566.db2.gz HHKPJPMQEHDUDZ-GOSISDBHSA-N 0 0 342.395 1.589 10 0 EDAERN COc1ccc([C@H](CC(=O)N[C@@H]2CCCC[C@H]2CO)NC(C)=O)cc1 ZINC000247975453 539682967 /nfs/dbraw/zinc/68/29/67/539682967.db2.gz GHJAHUBVFXJMSI-JQHSSLGASA-N 0 0 348.443 1.930 10 0 EDAERN COC[C@@H](C)C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000103432769 219298518 /nfs/dbraw/zinc/29/85/18/219298518.db2.gz WDXYIHROFVWPHS-CYBMUJFWSA-N 0 0 338.473 1.928 10 0 EDAERN C[C@H](C(=O)Nc1ccc(Cl)nn1)N1C(=O)c2ccccc2C1=O ZINC000068296108 215296920 /nfs/dbraw/zinc/29/69/20/215296920.db2.gz HCPHKRSMMDWQGY-MRVPVSSYSA-N 0 0 330.731 1.753 10 0 EDAERN O=C(Nc1cccnc1Cl)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000179755195 233406169 /nfs/dbraw/zinc/40/61/69/233406169.db2.gz AWMBVWJVQPFDAS-UHFFFAOYSA-N 0 0 347.806 1.809 10 0 EDAERN O=S(=O)(NCc1nnc2ccccn21)c1cnc(Cl)s1 ZINC000040804605 213388415 /nfs/dbraw/zinc/38/84/15/213388415.db2.gz ODUUBBJUAQWQOA-UHFFFAOYSA-N 0 0 329.794 1.318 10 0 EDAERN C[C@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000040666346 213367090 /nfs/dbraw/zinc/36/70/90/213367090.db2.gz PFBSUVJSFKBXOW-BYCMXARLSA-N 0 0 341.404 1.029 10 0 EDAERN C[C@](O)(CNC(=O)[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000040629846 213361692 /nfs/dbraw/zinc/36/16/92/213361692.db2.gz DLRZTLGRKLISNP-JSGCOSHPSA-N 0 0 328.206 1.952 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)[C@H]2Cc3cc(F)ccc3O2)n1 ZINC000152792847 539832964 /nfs/dbraw/zinc/83/29/64/539832964.db2.gz MURWEOZHESPREX-GXTWGEPZSA-N 0 0 333.319 1.421 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1)[C@H]1CCCO1 ZINC000180991521 234054369 /nfs/dbraw/zinc/05/43/69/234054369.db2.gz FJQSHTGXJQLLJH-IUODEOHRSA-N 0 0 340.383 1.766 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181613625 234252727 /nfs/dbraw/zinc/25/27/27/234252727.db2.gz MKYYMUVVRFJNPS-KBPBESRZSA-N 0 0 339.461 1.731 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000127475042 222846029 /nfs/dbraw/zinc/84/60/29/222846029.db2.gz WUNYVUQPMDZLLP-GFCCVEGCSA-N 0 0 340.445 1.373 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C[C@H](O)C(F)(F)F)CC2)cn1 ZINC000158239718 539992716 /nfs/dbraw/zinc/99/27/16/539992716.db2.gz RETLVOZUEFSYID-ZDUSSCGKSA-N 0 0 334.386 1.679 10 0 EDAERN O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127618066 222863213 /nfs/dbraw/zinc/86/32/13/222863213.db2.gz ICKIXFXMZYBJLO-YOEHRIQHSA-N 0 0 339.399 1.710 10 0 EDAERN CC[C@H](NS(=O)(=O)c1ccc(Br)s1)C(N)=S ZINC000040362969 213292967 /nfs/dbraw/zinc/29/29/67/213292967.db2.gz RPXLQPNIVLMPOX-YFKPBYRVSA-N 0 0 343.293 1.854 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180588636 291014756 /nfs/dbraw/zinc/01/47/56/291014756.db2.gz IVXIGLUNCWLGQD-WBMJQRKESA-N 0 0 340.445 1.558 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)N[C@@H]3CCCOCC3)CC2)no1 ZINC000181819356 540128300 /nfs/dbraw/zinc/12/83/00/540128300.db2.gz FAYPPNZCIRRZQY-CQSZACIVSA-N 0 0 337.424 1.164 10 0 EDAERN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCC(=O)NCC1CC1 ZINC000183798756 235229823 /nfs/dbraw/zinc/22/98/23/235229823.db2.gz PFBQPJPNGNOLBM-ABAIWWIYSA-N 0 0 337.395 1.463 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000188879604 540161667 /nfs/dbraw/zinc/16/16/67/540161667.db2.gz JERZIAISCNDEFU-ZACQAIPSSA-N 0 0 346.427 1.347 10 0 EDAERN CCOc1cnc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)cn1 ZINC000189402539 540165059 /nfs/dbraw/zinc/16/50/59/540165059.db2.gz ZCJCNRPNSSVVEQ-CQSZACIVSA-N 0 0 345.403 1.230 10 0 EDAERN CCC(CC)CNC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000190277108 540169423 /nfs/dbraw/zinc/16/94/23/540169423.db2.gz ZNERQCDMQFAVGC-CQSZACIVSA-N 0 0 342.465 1.337 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000191929359 540176562 /nfs/dbraw/zinc/17/65/62/540176562.db2.gz UYBQLBHHSGHMRL-KBPBESRZSA-N 0 0 342.399 1.755 10 0 EDAERN C[C@H](NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCO1 ZINC000128697406 222979223 /nfs/dbraw/zinc/97/92/23/222979223.db2.gz VZLSRNHLYAVHPX-GXFFZTMASA-N 0 0 347.383 1.909 10 0 EDAERN C[C@H](CNC(=O)c1ccc(N2CCCCCC2)nc1)N1CCOCC1 ZINC000029964224 138097389 /nfs/dbraw/zinc/09/73/89/138097389.db2.gz JREFUCAOZSKWIR-MRXNPFEDSA-N 0 0 346.475 1.913 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(CC(N)=O)CC1 ZINC000049389932 138129908 /nfs/dbraw/zinc/12/99/08/138129908.db2.gz DTAALCVYQTXCMJ-GFCCVEGCSA-N 0 0 332.404 1.311 10 0 EDAERN O=C(CNS(=O)(=O)c1cccs1)N[C@@H]1COc2ccccc21 ZINC000058967766 138161302 /nfs/dbraw/zinc/16/13/02/138161302.db2.gz WYAXOGWDTPCIFR-LLVKDONJSA-N 0 0 338.410 1.276 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccccc3C)c2C)C1 ZINC000185248445 235623995 /nfs/dbraw/zinc/62/39/95/235623995.db2.gz ZECPJXMEEHTCNV-UHFFFAOYSA-N 0 0 342.399 1.076 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000077365404 138252485 /nfs/dbraw/zinc/25/24/85/138252485.db2.gz MIMSHJZJSGXZMS-GHMZBOCLSA-N 0 0 341.358 1.129 10 0 EDAERN O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077156008 138251628 /nfs/dbraw/zinc/25/16/28/138251628.db2.gz VDLDQPLOFOTQMH-BBRMVZONSA-N 0 0 329.400 1.454 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCNC(=O)C1CCC1 ZINC000087132721 138271432 /nfs/dbraw/zinc/27/14/32/138271432.db2.gz KGSXBNCHOWEMJG-ZDUSSCGKSA-N 0 0 348.451 1.281 10 0 EDAERN Cn1cc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cn1 ZINC000081186695 138265633 /nfs/dbraw/zinc/26/56/33/138265633.db2.gz JOSRWMKOYFWIMV-KPKJPENVSA-N 0 0 332.429 1.543 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2cncn2)cc1C ZINC000081579497 138267177 /nfs/dbraw/zinc/26/71/77/138267177.db2.gz YCPUMEXYLNUOGZ-OAHLLOKOSA-N 0 0 337.387 1.741 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000081579799 138267198 /nfs/dbraw/zinc/26/71/98/138267198.db2.gz KFXVBEYUGAMYIA-CYBMUJFWSA-N 0 0 340.449 1.285 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1OC ZINC000096998455 138296288 /nfs/dbraw/zinc/29/62/88/138296288.db2.gz VOCLGCMXYLZNMX-CYBMUJFWSA-N 0 0 344.408 1.977 10 0 EDAERN Cc1nn(C)c(C)c1CCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810546 138301893 /nfs/dbraw/zinc/30/18/93/138301893.db2.gz WNKHZFDRLJNACR-UHFFFAOYSA-N 0 0 342.447 1.498 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)n(C)n1 ZINC000093213409 138292638 /nfs/dbraw/zinc/29/26/38/138292638.db2.gz VRECSCLVPKTMRI-UHFFFAOYSA-N 0 0 344.419 1.440 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1 ZINC000117808373 138312455 /nfs/dbraw/zinc/31/24/55/138312455.db2.gz HWHDMUQMEQVQSM-OAHLLOKOSA-N 0 0 346.456 1.603 10 0 EDAERN CSc1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)ccn1 ZINC000110945271 138307493 /nfs/dbraw/zinc/30/74/93/138307493.db2.gz UILVTZZPGNIHGR-UHFFFAOYSA-N 0 0 347.444 1.843 10 0 EDAERN CCc1nc(CC(=O)N2CCCN(Cc3noc(C)n3)CC2)cs1 ZINC000110945808 138307572 /nfs/dbraw/zinc/30/75/72/138307572.db2.gz NNZLPALNIDIVDU-UHFFFAOYSA-N 0 0 349.460 1.674 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCCN1CCOCC1 ZINC000114581877 138310133 /nfs/dbraw/zinc/31/01/33/138310133.db2.gz KBHHYSAFBFHLJG-INIZCTEOSA-N 0 0 349.479 1.606 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOc1ccc(OC)cc1)CC2 ZINC000114869122 138310800 /nfs/dbraw/zinc/31/08/00/138310800.db2.gz PGAFFHCVZFWODL-ZDUSSCGKSA-N 0 0 344.415 1.749 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOCc1ccccc1)CC2 ZINC000114872782 138310849 /nfs/dbraw/zinc/31/08/49/138310849.db2.gz DQUZSVCEQWZTSA-OAHLLOKOSA-N 0 0 328.416 1.878 10 0 EDAERN O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccco1 ZINC000116211196 138311507 /nfs/dbraw/zinc/31/15/07/138311507.db2.gz WEYKZUBRLKFZFD-NSHDSACASA-N 0 0 340.426 1.983 10 0 EDAERN O=C(Nc1cccc(-c2cnco2)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130660911 138344061 /nfs/dbraw/zinc/34/40/61/138344061.db2.gz APQDNQNSNJZBRZ-HIFRSBDPSA-N 0 0 343.383 1.947 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000130665218 138344574 /nfs/dbraw/zinc/34/45/74/138344574.db2.gz UEDLDDZZDRLEJI-CHWSQXEVSA-N 0 0 348.451 1.026 10 0 EDAERN CCn1cc(C(=O)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cn1 ZINC000130735567 138346780 /nfs/dbraw/zinc/34/67/80/138346780.db2.gz IUCDUBWOBYURMI-AWEZNQCLSA-N 0 0 329.404 1.800 10 0 EDAERN CCCN(CC(F)F)C(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000130896322 138349288 /nfs/dbraw/zinc/34/92/88/138349288.db2.gz JSAIWGGXBFKVEX-LLVKDONJSA-N 0 0 326.409 1.694 10 0 EDAERN C[C@@H](Oc1c(N)cc(Cl)cc1Br)C(=O)NC(N)=O ZINC000037288300 213138931 /nfs/dbraw/zinc/13/89/31/213138931.db2.gz VTZIFHGMGAUKRP-SCSAIBSYSA-N 0 0 336.573 1.647 10 0 EDAERN Cn1ncc(C(=O)Nc2nccs2)c1C(=O)Nc1nccs1 ZINC000036617911 213103474 /nfs/dbraw/zinc/10/34/74/213103474.db2.gz WZPZUSZTUBIVEC-UHFFFAOYSA-N 0 0 334.386 1.838 10 0 EDAERN C[C@H](NC(=O)NCCCO[C@H]1CCOC1)c1nnc2n1CCCC2 ZINC000152314301 138471198 /nfs/dbraw/zinc/47/11/98/138471198.db2.gz YBOJKAJDNVCPCK-STQMWFEESA-N 0 0 337.424 1.170 10 0 EDAERN COc1cccc(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000186957240 236078610 /nfs/dbraw/zinc/07/86/10/236078610.db2.gz BNMRYWNXMIOCKC-AWEZNQCLSA-N 0 0 331.416 1.398 10 0 EDAERN NC(=O)Cn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@H]21 ZINC000096318886 283296720 /nfs/dbraw/zinc/29/67/20/283296720.db2.gz STRNLMJEBGKXKY-QPUJVOFHSA-N 0 0 334.422 1.641 10 0 EDAERN NS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccc(F)cc1)CC2 ZINC000036135576 213073138 /nfs/dbraw/zinc/07/31/38/213073138.db2.gz STZSCFUQBNAAAI-UHFFFAOYSA-N 0 0 334.372 1.672 10 0 EDAERN CCc1ccc(S(=O)(=O)N2C[C@@H](C)N(CCOC)[C@H](C)C2)cc1 ZINC000036124061 213070178 /nfs/dbraw/zinc/07/01/78/213070178.db2.gz SUNJSYIOKNMRHA-HUUCEWRRSA-N 0 0 340.489 1.979 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)NCc1sccc1C ZINC000156258009 138555221 /nfs/dbraw/zinc/55/52/21/138555221.db2.gz WNKZEULCFONUOL-UHFFFAOYSA-N 0 0 341.458 1.504 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H](C)CCS(C)(=O)=O)C(C)C ZINC000126515520 138612047 /nfs/dbraw/zinc/61/20/47/138612047.db2.gz OFAADEJLEFDPOX-OCCSQVGLSA-N 0 0 334.482 1.113 10 0 EDAERN O=C1NCCN[C@H]1Cc1nc(-c2ccccc2Br)no1 ZINC000071261980 215747329 /nfs/dbraw/zinc/74/73/29/215747329.db2.gz KLJONXNPPYJZFG-JTQLQIEISA-N 0 0 337.177 1.130 10 0 EDAERN O=S(=O)(c1cnccc1Cl)N(CCO)Cc1ccccc1 ZINC000071204250 215744940 /nfs/dbraw/zinc/74/49/40/215744940.db2.gz JNFHWVGNFBZLFD-UHFFFAOYSA-N 0 0 326.805 1.918 10 0 EDAERN O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000157771817 138630163 /nfs/dbraw/zinc/63/01/63/138630163.db2.gz VCVYDEHBSVAMGW-OQRGYWNNSA-N 0 0 332.429 1.991 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)no1 ZINC000171430222 138656627 /nfs/dbraw/zinc/65/66/27/138656627.db2.gz GWJHDVTUISHPGS-LBPRGKRZSA-N 0 0 340.405 1.626 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173949845 138677490 /nfs/dbraw/zinc/67/74/90/138677490.db2.gz MVZDDVOQSNBVSB-HIFRSBDPSA-N 0 0 341.415 1.840 10 0 EDAERN CCOC(=O)CCN(CCOCCO)C(=O)/C=C/c1ccc(C)cc1 ZINC000071637726 215791212 /nfs/dbraw/zinc/79/12/12/215791212.db2.gz NBMQHRQDCUVGAZ-CMDGGOBGSA-N 0 0 349.427 1.799 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)CCOC(C)C)C2)n1 ZINC000175118516 138691699 /nfs/dbraw/zinc/69/16/99/138691699.db2.gz SRRHWVYMQPMSOF-HNNXBMFYSA-N 0 0 344.481 1.362 10 0 EDAERN Cc1ccc(CCC(=O)NCC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175821156 138700572 /nfs/dbraw/zinc/70/05/72/138700572.db2.gz SJKWZEFVHNEJOU-HNNXBMFYSA-N 0 0 341.415 1.287 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000176104078 138704234 /nfs/dbraw/zinc/70/42/34/138704234.db2.gz JALAPBCFIDZPRT-JKSUJKDBSA-N 0 0 332.400 1.724 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(=O)n(-c2ccccc2)n1 ZINC000177565388 138731278 /nfs/dbraw/zinc/73/12/78/138731278.db2.gz MMTRVYPTUKBLLU-CYBMUJFWSA-N 0 0 336.355 1.089 10 0 EDAERN CCCS(=O)(=O)Nc1ccc2nc(S(C)(=O)=O)sc2c1 ZINC000033298950 212919180 /nfs/dbraw/zinc/91/91/80/212919180.db2.gz MVQPCPDUBSEVJC-UHFFFAOYSA-N 0 0 334.444 1.852 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCO[C@H]2C)s1 ZINC000189618695 237079455 /nfs/dbraw/zinc/07/94/55/237079455.db2.gz OZYIVVKLBFLLES-RYUDHWBXSA-N 0 0 346.474 1.266 10 0 EDAERN CC(C)(c1nnc(NC(=O)[C@@H]2CNC(=O)C2)s1)c1ccccc1 ZINC000106686011 219681715 /nfs/dbraw/zinc/68/17/15/219681715.db2.gz RZFCPLIYGZANMW-JTQLQIEISA-N 0 0 330.413 1.939 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441140 213147232 /nfs/dbraw/zinc/14/72/32/213147232.db2.gz XNKNTMJXJRBVJP-MRVPVSSYSA-N 0 0 332.223 1.760 10 0 EDAERN NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1Br ZINC000037660873 213162142 /nfs/dbraw/zinc/16/21/42/213162142.db2.gz DYCUTQKKYNGJAM-UHFFFAOYSA-N 0 0 339.186 1.132 10 0 EDAERN CC[C@@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1N ZINC000037929830 213173535 /nfs/dbraw/zinc/17/35/35/213173535.db2.gz FWNFYUVLWXFGFP-SNVBAGLBSA-N 0 0 349.250 1.831 10 0 EDAERN C[C@H](c1ccsc1)N1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000185458155 138805231 /nfs/dbraw/zinc/80/52/31/138805231.db2.gz OENRROOVJMIRTD-GDBMZVCRSA-N 0 0 337.489 1.410 10 0 EDAERN NS(=O)(=O)c1cc(Cl)c(S(=O)(=O)c2ccccc2)s1 ZINC000028021822 212596686 /nfs/dbraw/zinc/59/66/86/212596686.db2.gz RYRPOIFXCWUULL-UHFFFAOYSA-N 0 0 337.831 1.882 10 0 EDAERN COC(=O)Cc1nn(-c2ccc(C)cc2)c2c1nnc1nc(C)nn12 ZINC000072462297 216243527 /nfs/dbraw/zinc/24/35/27/216243527.db2.gz DXOAYPRRPKTHFZ-UHFFFAOYSA-N 0 0 337.343 1.191 10 0 EDAERN Nn1c(Sc2nn3c(nccc3=O)s2)nnc1-c1cccs1 ZINC000130741997 223173319 /nfs/dbraw/zinc/17/33/19/223173319.db2.gz RMKILHWFWRYXAL-UHFFFAOYSA-N 0 0 349.426 1.336 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(c2ccncc2)CC1 ZINC000190457827 238501207 /nfs/dbraw/zinc/50/12/07/238501207.db2.gz WUUANORPPJCNJH-OAHLLOKOSA-N 0 0 326.404 1.577 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)Nc1ccccc1F)CC2 ZINC000188284646 138836857 /nfs/dbraw/zinc/83/68/57/138836857.db2.gz GKHOKHFQQBPUBK-NSHDSACASA-N 0 0 345.378 1.610 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2cccc(C)c2)C1 ZINC000188548622 138844552 /nfs/dbraw/zinc/84/45/52/138844552.db2.gz ZZKRKZYANPAKFB-UHFFFAOYSA-N 0 0 333.432 1.429 10 0 EDAERN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000023039614 212344573 /nfs/dbraw/zinc/34/45/73/212344573.db2.gz HVBOZYUQQOIYKJ-CYBMUJFWSA-N 0 0 343.383 1.770 10 0 EDAERN O=C(c1cc(N2CCOCC2)ccn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000132419606 223329618 /nfs/dbraw/zinc/32/96/18/223329618.db2.gz VOMPRILREUOXPL-HNAYVOBHSA-N 0 0 345.443 1.685 10 0 EDAERN CC(=O)NCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000022757408 212320614 /nfs/dbraw/zinc/32/06/14/212320614.db2.gz NQAGQXKBHWNGDB-AWEZNQCLSA-N 0 0 339.823 1.347 10 0 EDAERN Cc1cc(NC(=O)C(=O)NCC2(c3cccs3)CCOCC2)no1 ZINC000021690596 212239940 /nfs/dbraw/zinc/23/99/40/212239940.db2.gz BBXXACYVKQFOPD-UHFFFAOYSA-N 0 0 349.412 1.848 10 0 EDAERN CCc1noc(CC)c1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000133033411 223383674 /nfs/dbraw/zinc/38/36/74/223383674.db2.gz GBBBCBHYHDYRGX-LBPRGKRZSA-N 0 0 332.408 1.938 10 0 EDAERN O[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1 ZINC000254876306 244044360 /nfs/dbraw/zinc/04/43/60/244044360.db2.gz VEVONSHXUHYXKX-BPCAWRKVSA-N 0 0 344.363 1.626 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000192006028 138931668 /nfs/dbraw/zinc/93/16/68/138931668.db2.gz GCXZXRVEDLQOBQ-SMDDNHRTSA-N 0 0 339.399 1.278 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC1(C)C ZINC000077352392 216879045 /nfs/dbraw/zinc/87/90/45/216879045.db2.gz GIYCMDCWMLNFAU-NSHDSACASA-N 0 0 335.429 1.515 10 0 EDAERN O=C(CN[C@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1 ZINC000020038670 212096290 /nfs/dbraw/zinc/09/62/90/212096290.db2.gz HZNHVKGBOZWSEG-NSHDSACASA-N 0 0 347.234 1.164 10 0 EDAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000193091212 138960704 /nfs/dbraw/zinc/96/07/04/138960704.db2.gz UIQGGPCKDTWCEW-WDEREUQCSA-N 0 0 337.445 1.628 10 0 EDAERN Cc1cc(O)ccc1N1C(=O)C[C@H](N2CCC3(CC2)OCCO3)C1=O ZINC000019766883 212063650 /nfs/dbraw/zinc/06/36/50/212063650.db2.gz XOLFWTPSMJVYBJ-HNNXBMFYSA-N 0 0 346.383 1.171 10 0 EDAERN CC[C@@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)Oc1cccc(C)c1 ZINC000193454857 138969739 /nfs/dbraw/zinc/96/97/39/138969739.db2.gz ONJKIRKPHHMILO-HLLBOEOZSA-N 0 0 334.416 1.250 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)c1 ZINC000193321104 138966673 /nfs/dbraw/zinc/96/66/73/138966673.db2.gz WOLZOBBXBMKGHD-UHFFFAOYSA-N 0 0 341.415 1.777 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000077938374 217003938 /nfs/dbraw/zinc/00/39/38/217003938.db2.gz NFRXHSJXNQRNCK-CZUORRHYSA-N 0 0 342.399 1.478 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCC1(SC)CCC1 ZINC000195033134 139005201 /nfs/dbraw/zinc/00/52/01/139005201.db2.gz AVYYXFYKZOWWGD-LLVKDONJSA-N 0 0 339.465 1.844 10 0 EDAERN CCc1nnc(CN2CCN(CC(=O)Nc3ccccc3)CC2)n1C ZINC000195051771 139005737 /nfs/dbraw/zinc/00/57/37/139005737.db2.gz MBASANUPJWSNBN-UHFFFAOYSA-N 0 0 342.447 1.134 10 0 EDAERN CCCCOC[C@H](O)CN1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000195189282 139009611 /nfs/dbraw/zinc/00/96/11/139009611.db2.gz JVEMSUMTGQORET-CQSZACIVSA-N 0 0 342.461 1.264 10 0 EDAERN C[C@@]1(n2nnnc2-c2ccc(N)cc2Cl)CCS(=O)(=O)C1 ZINC000044932304 213677168 /nfs/dbraw/zinc/67/71/68/213677168.db2.gz SFEPRIAOISHKBY-GFCCVEGCSA-N 0 0 327.797 1.109 10 0 EDAERN Cc1sc(=O)n(CC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1C ZINC000195285572 139012381 /nfs/dbraw/zinc/01/23/81/139012381.db2.gz ATBGACHZJMZQEB-LBPRGKRZSA-N 0 0 349.460 1.373 10 0 EDAERN Cc1cc(NC(=O)CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)on1 ZINC000195285196 139012473 /nfs/dbraw/zinc/01/24/73/139012473.db2.gz HHRNVSQABBRRKD-MRXNPFEDSA-N 0 0 343.431 1.770 10 0 EDAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCN2CCC[C@@H]2C1 ZINC000195323414 139014280 /nfs/dbraw/zinc/01/42/80/139014280.db2.gz DQIZJMOXFTUXGA-CYBMUJFWSA-N 0 0 342.848 1.420 10 0 EDAERN O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)N1CCCCC1 ZINC000049389709 214005164 /nfs/dbraw/zinc/00/51/64/214005164.db2.gz ZXOCLGBWXQDYDO-UHFFFAOYSA-N 0 0 345.399 1.712 10 0 EDAERN CC(C)n1ccnc1CS(=O)(=O)CCC(=O)NC1CCCC1 ZINC000195520050 139019682 /nfs/dbraw/zinc/01/96/82/139019682.db2.gz MHBIVTZTEPSYFP-UHFFFAOYSA-N 0 0 327.450 1.828 10 0 EDAERN O=S(=O)(NCc1nn2cnnc2s1)c1ccc(Cl)cc1 ZINC000049722468 214029262 /nfs/dbraw/zinc/02/92/62/214029262.db2.gz HMIIQATXEWRPRF-UHFFFAOYSA-N 0 0 329.794 1.318 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2cncc(Br)c2)c1 ZINC000227528486 139022596 /nfs/dbraw/zinc/02/25/96/139022596.db2.gz BCNWBGOTLAGAMH-UHFFFAOYSA-N 0 0 345.222 1.328 10 0 EDAERN COc1c(F)cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1F ZINC000078995123 217168819 /nfs/dbraw/zinc/16/88/19/217168819.db2.gz ZOQXZXHLLCMVAD-NOZJJQNGSA-N 0 0 342.342 1.579 10 0 EDAERN O=Cc1ccccc1OCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000110727220 220061498 /nfs/dbraw/zinc/06/14/98/220061498.db2.gz FPVVEWNHJVUASK-UHFFFAOYSA-N 0 0 340.383 1.407 10 0 EDAERN Cc1ccn2ncc(C(=O)N3CCO[C@@H](c4nccs4)C3)c2n1 ZINC000110878241 220073982 /nfs/dbraw/zinc/07/39/82/220073982.db2.gz ODFBEVJQRXECBZ-GFCCVEGCSA-N 0 0 329.385 1.708 10 0 EDAERN COc1ccc(CC(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)cc1 ZINC000110899246 220077762 /nfs/dbraw/zinc/07/77/62/220077762.db2.gz ZIORPQPFWLGMJP-SFHVURJKSA-N 0 0 343.427 1.979 10 0 EDAERN O=C(N1CCO[C@@H](Cn2cccn2)C1)C1(c2ccc(F)cc2)CC1 ZINC000111088881 220098457 /nfs/dbraw/zinc/09/84/57/220098457.db2.gz HGGWCGYIAXVXKM-MRXNPFEDSA-N 0 0 329.375 1.981 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(N(C)C)ccn3)CCO2)n1 ZINC000111621807 220172778 /nfs/dbraw/zinc/17/27/78/220172778.db2.gz DOSSFCRQGSNRFQ-MRXNPFEDSA-N 0 0 343.431 1.502 10 0 EDAERN C[C@@H]1CN(Cc2ncn(-c3ccccc3)n2)C[C@H]1N1CCOCC1 ZINC000245538382 139078439 /nfs/dbraw/zinc/07/84/39/139078439.db2.gz MZLCTESQVYCQIW-NVXWUHKLSA-N 0 0 327.432 1.420 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3C)CCO2)c1 ZINC000112094564 220243208 /nfs/dbraw/zinc/24/32/08/220243208.db2.gz PYGLQRVLERRTFE-MRXNPFEDSA-N 0 0 349.456 1.898 10 0 EDAERN COc1cccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1O ZINC000112117896 220246071 /nfs/dbraw/zinc/24/60/71/220246071.db2.gz GPDCSLBRNLEVBF-ZDUSSCGKSA-N 0 0 331.372 1.447 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3)CCO2)c1 ZINC000112148033 220252222 /nfs/dbraw/zinc/25/22/22/220252222.db2.gz UKLUJZKGROGUOR-OAHLLOKOSA-N 0 0 346.362 1.197 10 0 EDAERN CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000246010282 139092283 /nfs/dbraw/zinc/09/22/83/139092283.db2.gz KVWZAAJLUALYKR-CZUORRHYSA-N 0 0 331.416 1.460 10 0 EDAERN C[C@H]1CN([C@H](CNc2nccn(C)c2=O)c2cccs2)CCO1 ZINC000246083709 139094318 /nfs/dbraw/zinc/09/43/18/139094318.db2.gz GAWBVAURFDVMTR-QWHCGFSZSA-N 0 0 334.445 1.716 10 0 EDAERN C[C@H]1CN(Cc2cncc(Br)c2)C[C@H]1N1CCOCC1 ZINC000246288855 139102751 /nfs/dbraw/zinc/10/27/51/139102751.db2.gz AWLHKHDCMGNEMH-SWLSCSKDSA-N 0 0 340.265 1.997 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000246530175 139111961 /nfs/dbraw/zinc/11/19/61/139111961.db2.gz WPCUASHWECSCFG-ZIAGYGMSSA-N 0 0 327.450 1.871 10 0 EDAERN C[C@@H]1CN(Cc2noc(-c3ccccc3)n2)C[C@H]1N1CCOCC1 ZINC000246614616 139115157 /nfs/dbraw/zinc/11/51/57/139115157.db2.gz YILAWZJZQXDUGC-GDBMZVCRSA-N 0 0 328.416 1.889 10 0 EDAERN C[C@H](NC(=O)N(C)C[C@@H](O)COCc1ccccc1)[C@@H]1CCCO1 ZINC000246625866 139115778 /nfs/dbraw/zinc/11/57/78/139115778.db2.gz URLYJZITHSHFHJ-UAGQMJEPSA-N 0 0 336.432 1.773 10 0 EDAERN C[C@H](NC(=O)C1(O)CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000086532733 217700484 /nfs/dbraw/zinc/70/04/84/217700484.db2.gz MKRNWYCKJLPKMD-LBPRGKRZSA-N 0 0 325.430 1.963 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccc(F)cc1 ZINC000088786994 217768860 /nfs/dbraw/zinc/76/88/60/217768860.db2.gz JCBKVIRXABQQHD-CYBMUJFWSA-N 0 0 338.408 1.934 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2COc3cc(OC)ccc3C2)C[C@@H]1C ZINC000247116799 139136555 /nfs/dbraw/zinc/13/65/55/139136555.db2.gz NQYWXQJXWIJGPB-HOCLYGCPSA-N 0 0 348.443 1.425 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](CC)C1 ZINC000247413014 139148135 /nfs/dbraw/zinc/14/81/35/139148135.db2.gz CRFSSDFVPOVDFS-HZSPNIEDSA-N 0 0 332.466 1.217 10 0 EDAERN CC(C)[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000247918825 139155710 /nfs/dbraw/zinc/15/57/10/139155710.db2.gz BLSWELOXNXCXMN-UWWQBHOKSA-N 0 0 336.407 1.868 10 0 EDAERN CCOC(=O)Cn1cnc2c1ncnc2NC(=O)c1ccccc1 ZINC000090471210 217931755 /nfs/dbraw/zinc/93/17/55/217931755.db2.gz UNELGEAKTHZXBR-UHFFFAOYSA-N 0 0 325.328 1.642 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H]1CCC[C@@H](O)C1)CC2 ZINC000248413223 139162661 /nfs/dbraw/zinc/16/26/61/139162661.db2.gz LBIZSNXJBZBXJK-BFHYXJOUSA-N 0 0 335.452 1.567 10 0 EDAERN Cc1c(C(N)=O)sc2ncn([C@@H](C)C(=O)OCC(C)C)c(=O)c12 ZINC000012127015 211299596 /nfs/dbraw/zinc/29/95/96/211299596.db2.gz IUWMZRLUAKPCSK-VIFPVBQESA-N 0 0 337.401 1.626 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)[C@H]1CCCO1 ZINC000248447875 139164429 /nfs/dbraw/zinc/16/44/29/139164429.db2.gz HOUBPPOMSVFJHL-AEGPPILISA-N 0 0 332.404 1.444 10 0 EDAERN C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(Cc2nc(N)n[nH]2)C1 ZINC000091973908 218097347 /nfs/dbraw/zinc/09/73/47/218097347.db2.gz SWEGEWNNSFHBMH-KRWDZBQOSA-N 0 0 343.387 1.487 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248712175 139172639 /nfs/dbraw/zinc/17/26/39/139172639.db2.gz JFRKXKOLHXCVSE-GDBMZVCRSA-N 0 0 338.452 1.208 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1CC ZINC000248790268 139175435 /nfs/dbraw/zinc/17/54/35/139175435.db2.gz XYABUBVBHKGXHU-CABCVRRESA-N 0 0 333.498 1.148 10 0 EDAERN CCOCCN(C)C(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000093031526 218189475 /nfs/dbraw/zinc/18/94/75/218189475.db2.gz HDFOVPFLNNSULF-MRXNPFEDSA-N 0 0 336.432 1.945 10 0 EDAERN C[C@@H]1CN(CCN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CCO1 ZINC000249054895 139184256 /nfs/dbraw/zinc/18/42/56/139184256.db2.gz OTPNERZHDRGFRD-MRRJBJDNSA-N 0 0 326.387 1.793 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CN(C)CCO3)cc2F)n1 ZINC000112195862 220257876 /nfs/dbraw/zinc/25/78/76/220257876.db2.gz KPZFICABYGXQNL-HNNXBMFYSA-N 0 0 346.406 1.689 10 0 EDAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1c[nH]c(=O)[nH]c1=O ZINC000008907020 211017657 /nfs/dbraw/zinc/01/76/57/211017657.db2.gz KCVPVRVZAKHKAN-UHFFFAOYSA-N 0 0 330.127 1.631 10 0 EDAERN COc1ccccc1[C@@H]1CNC(=O)c2[nH]c(C(=O)NC(C)C)nc2C1 ZINC000095499591 218414775 /nfs/dbraw/zinc/41/47/75/218414775.db2.gz AUUUHYFIRQUURA-NSHDSACASA-N 0 0 342.399 1.626 10 0 EDAERN O=C([O-])c1cc(F)c(F)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000185011362 304224570 /nfs/dbraw/zinc/22/45/70/304224570.db2.gz BBPQBSWPOIZUJZ-SNVBAGLBSA-N 0 0 346.355 1.132 10 0 EDAERN CC(C)NC(=O)Cn1c2ccccc2nc1SCC(=O)N(C)C ZINC000005977084 210571951 /nfs/dbraw/zinc/57/19/51/210571951.db2.gz NQEFTNQAFQLEFC-UHFFFAOYSA-N 0 0 334.445 1.741 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(F)c2)C[C@H]1C ZINC000153350147 224091476 /nfs/dbraw/zinc/09/14/76/224091476.db2.gz JTCVXNQFPZHTFW-CYBMUJFWSA-N 0 0 337.395 1.252 10 0 EDAERN CNc1c(Cl)ncnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000136042251 533043954 /nfs/dbraw/zinc/04/39/54/533043954.db2.gz QRVJJICAUWDVJV-VIFPVBQESA-N 0 0 337.815 1.746 10 0 EDAERN CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112647180 220362116 /nfs/dbraw/zinc/36/21/16/220362116.db2.gz OUCPIIWAIQLSOL-CQSZACIVSA-N 0 0 327.388 1.617 10 0 EDAERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112647332 220363069 /nfs/dbraw/zinc/36/30/69/220363069.db2.gz HKFZNHAPGNGFPM-AAEUAGOBSA-N 0 0 337.424 1.258 10 0 EDAERN Cc1ccc(C2(C(=O)N[C@@H]3CCc4ncnn4C3)CCOCC2)cc1 ZINC000112652478 220363831 /nfs/dbraw/zinc/36/38/31/220363831.db2.gz PJISNCQWJKQUMT-MRXNPFEDSA-N 0 0 340.427 1.766 10 0 EDAERN O=C(Nc1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1)NC1CC1 ZINC000112650555 220364016 /nfs/dbraw/zinc/36/40/16/220364016.db2.gz SZWNMUSSQSJQFK-AWEZNQCLSA-N 0 0 340.387 1.307 10 0 EDAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112656526 220365986 /nfs/dbraw/zinc/36/59/86/220365986.db2.gz YNVNPBMHFRABPR-STQMWFEESA-N 0 0 349.435 1.499 10 0 EDAERN COc1ccc(/C=C/C(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000112661326 220368740 /nfs/dbraw/zinc/36/87/40/220368740.db2.gz KEZXIYBWWAAVQZ-GBVBUYCNSA-N 0 0 328.372 1.440 10 0 EDAERN CCCOc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112742574 220392213 /nfs/dbraw/zinc/39/22/13/220392213.db2.gz CYMBSWSHADXXOI-AWEZNQCLSA-N 0 0 329.404 1.881 10 0 EDAERN COc1ccc(C(C)(C)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112746812 220395630 /nfs/dbraw/zinc/39/56/30/220395630.db2.gz FDBAAJWYYZZGCC-CQSZACIVSA-N 0 0 343.431 1.879 10 0 EDAERN Cn1c(CN2CCN(CC(F)(F)C(F)F)CC2)nnc1C1CC1 ZINC000114490946 220702558 /nfs/dbraw/zinc/70/25/58/220702558.db2.gz SKIOJVPRDIVKEM-UHFFFAOYSA-N 0 0 335.349 1.711 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCOc1ccccc1)CC2 ZINC000114975092 220795253 /nfs/dbraw/zinc/79/52/53/220795253.db2.gz LNEDQPBJVMGIKR-AWEZNQCLSA-N 0 0 343.431 1.876 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2c(C)noc2C)C[C@H]1CC ZINC000116899105 221008415 /nfs/dbraw/zinc/00/84/15/221008415.db2.gz XIUVGOHILHXLNF-CQSZACIVSA-N 0 0 345.465 1.413 10 0 EDAERN CCOCCN1CCN(C(=O)CCOC[C@@H]2CCCO2)C[C@@H]1C ZINC000117278686 221040870 /nfs/dbraw/zinc/04/08/70/221040870.db2.gz VDRCWTLDYPLGAG-HOTGVXAUSA-N 0 0 328.453 1.141 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(OC)c2O)C[C@@H]1CC ZINC000116977194 221018302 /nfs/dbraw/zinc/01/83/02/221018302.db2.gz PWLODFMTJDZTLH-AWEZNQCLSA-N 0 0 336.432 1.974 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000117369414 221059071 /nfs/dbraw/zinc/05/90/71/221059071.db2.gz XRSOCJWZPDXASE-NSHDSACASA-N 0 0 334.388 1.306 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000117283553 221042861 /nfs/dbraw/zinc/04/28/61/221042861.db2.gz VPXXOIPBVCYKAP-AWEZNQCLSA-N 0 0 334.416 1.527 10 0 EDAERN COCCN1CCN(C(=O)NCCCc2ccc(OC)cc2)C[C@@H]1C ZINC000117483520 221069917 /nfs/dbraw/zinc/06/99/17/221069917.db2.gz XFASYXYFONWDJA-INIZCTEOSA-N 0 0 349.475 1.990 10 0 EDAERN CCCNC(=O)c1cccc(CNC(=O)NCCn2cc(C)cn2)c1 ZINC000118059899 221111006 /nfs/dbraw/zinc/11/10/06/221111006.db2.gz XKHUVRIXKLXATL-UHFFFAOYSA-N 0 0 343.431 1.831 10 0 EDAERN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCCn2cc(C)cn2)C1 ZINC000118077766 221112943 /nfs/dbraw/zinc/11/29/43/221112943.db2.gz WYDWUPGHWJUXQO-HOTGVXAUSA-N 0 0 349.479 1.918 10 0 EDAERN CCCC(O)(CCC)CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000119072066 221237504 /nfs/dbraw/zinc/23/75/04/221237504.db2.gz XGELHKHEFYMEGB-HOTGVXAUSA-N 0 0 326.481 1.887 10 0 EDAERN C[C@H](CNC(=O)NCc1ccccc1OCC1CC1)N1CCOCC1 ZINC000119276697 221283783 /nfs/dbraw/zinc/28/37/83/221283783.db2.gz ZTUAFBGHYVMMDI-OAHLLOKOSA-N 0 0 347.459 1.995 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2nnc(/C=C/c3ccco3)s2)C1 ZINC000119467244 221327563 /nfs/dbraw/zinc/32/75/63/221327563.db2.gz ZEPFYYWVMSJMSN-ITKZLYELSA-N 0 0 349.416 1.754 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1)CC2 ZINC000119555812 221347233 /nfs/dbraw/zinc/34/72/33/221347233.db2.gz ZILURLDDBYSMHK-ZDUSSCGKSA-N 0 0 345.378 1.610 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(F)c1)CC2 ZINC000119571390 221350807 /nfs/dbraw/zinc/35/08/07/221350807.db2.gz HBTKBUIHJBIFFC-CYBMUJFWSA-N 0 0 345.378 1.610 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](O)C1)c1cccs1 ZINC000119805691 221405032 /nfs/dbraw/zinc/40/50/32/221405032.db2.gz IJRYCHGLPYTXMJ-LSDHHAIUSA-N 0 0 344.436 1.682 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cn1 ZINC000154967212 224335071 /nfs/dbraw/zinc/33/50/71/224335071.db2.gz QBXAOEMJZHMRQN-HOCLYGCPSA-N 0 0 327.388 1.672 10 0 EDAERN Cc1cncc(O[C@@H]2CCOC3(CN(C(=O)C4CCOCC4)C3)C2)n1 ZINC000253600987 257657638 /nfs/dbraw/zinc/65/76/38/257657638.db2.gz GCHKNIDYOJQGQG-OAHLLOKOSA-N 0 0 347.415 1.350 10 0 EDAERN C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1Cc1ccoc1 ZINC000253590726 257658292 /nfs/dbraw/zinc/65/82/92/257658292.db2.gz DVZMQDAIKWRFEH-CQSZACIVSA-N 0 0 344.415 1.454 10 0 EDAERN Cn1nccc1C(=O)N1C[C@H]2COC[C@@]2(Cc2nnc(C3CC3)o2)C1 ZINC000248038516 257667683 /nfs/dbraw/zinc/66/76/83/257667683.db2.gz NLUIPSHQDJCVHZ-YVEFUNNKSA-N 0 0 343.387 1.012 10 0 EDAERN COC(=O)[C@H](O)CNC(=O)c1cc(Br)ccc1Cl ZINC000154281966 533362552 /nfs/dbraw/zinc/36/25/52/533362552.db2.gz BIYSKIYVIICENK-SECBINFHSA-N 0 0 336.569 1.366 10 0 EDAERN COC(=O)[C@H](SC[C@@H](O)CO)c1cccc(Br)c1 ZINC000155251320 533362560 /nfs/dbraw/zinc/36/25/60/533362560.db2.gz DVSBNFVQGQFKKB-WDEREUQCSA-N 0 0 335.219 1.750 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173689657 533393637 /nfs/dbraw/zinc/39/36/37/533393637.db2.gz LSEATBBMYDWHDW-CYBMUJFWSA-N 0 0 343.387 1.397 10 0 EDAERN COc1c(C)ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1C ZINC000176658439 533401217 /nfs/dbraw/zinc/40/12/17/533401217.db2.gz DPVFSEHPRYMFDW-HIFRSBDPSA-N 0 0 334.416 1.918 10 0 EDAERN CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cnccc2Cl)C1 ZINC000169285892 533406454 /nfs/dbraw/zinc/40/64/54/533406454.db2.gz BZYIWARKQUQSFE-SNVBAGLBSA-N 0 0 331.825 1.136 10 0 EDAERN CS(=O)(=O)[C@@H]1CCC[C@]1(O)Cc1ccc(Br)cn1 ZINC000167685831 533430494 /nfs/dbraw/zinc/43/04/94/533430494.db2.gz RRYONEXHLHGRHL-NEPJUHHUSA-N 0 0 334.235 1.715 10 0 EDAERN CS(=O)(=O)[C@H]1CCC[C@H](S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165450879 533434713 /nfs/dbraw/zinc/43/47/13/533434713.db2.gz MEIURILREIHTKO-QWRGUYRKSA-N 0 0 335.422 1.537 10 0 EDAERN COc1c(F)cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1F ZINC000173861773 533434712 /nfs/dbraw/zinc/43/47/12/533434712.db2.gz DBROAIFLVIYIID-LBPRGKRZSA-N 0 0 341.358 1.912 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000171396656 533546154 /nfs/dbraw/zinc/54/61/54/533546154.db2.gz OUXADHZDNXNDGW-STQMWFEESA-N 0 0 327.340 1.493 10 0 EDAERN COc1cc(C)cc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000132962575 533632413 /nfs/dbraw/zinc/63/24/13/533632413.db2.gz JXTKBSZPDLEGQX-MAUKXSAKSA-N 0 0 347.459 1.866 10 0 EDAERN O=C(Nc1cccnc1N1CCOCC1)N[C@H]1CCCC[C@@H]1CO ZINC000081610121 132818192 /nfs/dbraw/zinc/81/81/92/132818192.db2.gz QCHUTANEKFXGBM-KGLIPLIRSA-N 0 0 334.420 1.591 10 0 EDAERN CC(C)(CN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O)C1=CCCC1 ZINC000333534260 141332876 /nfs/dbraw/zinc/33/28/76/141332876.db2.gz MSQVGWMOXNXBBI-GFCCVEGCSA-N 0 0 326.418 1.184 10 0 EDAERN COc1ccc(Br)c([C@@H]2NC(=O)[C@@H]3COCCN23)c1 ZINC000093884936 286270063 /nfs/dbraw/zinc/27/00/63/286270063.db2.gz TYQKDEYNISIXPP-NWDGAFQWSA-N 0 0 327.178 1.287 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2nc3nccc(C)n3n2)C12CCOCC2 ZINC000187025772 286381886 /nfs/dbraw/zinc/38/18/86/286381886.db2.gz MUYMWXOZXBNOGF-QWHCGFSZSA-N 0 0 345.403 1.137 10 0 EDAERN CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3conc3C3CC3)C2)C1=O ZINC000377993537 158050215 /nfs/dbraw/zinc/05/02/15/158050215.db2.gz WERBTQISGJJKKM-MRXNPFEDSA-N 0 0 332.360 1.097 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCC(C)(C)C[C@H](C)O ZINC000074546971 287271711 /nfs/dbraw/zinc/27/17/11/287271711.db2.gz AEYMBVWDEBHTOO-KBPBESRZSA-N 0 0 327.469 1.826 10 0 EDAERN CSCC[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1nc2ccccc2[nH]1 ZINC000081359209 287312376 /nfs/dbraw/zinc/31/23/76/287312376.db2.gz HZMRGDHMMZRPEJ-GJZGRUSLSA-N 0 0 348.472 1.804 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@H](O)C(C)C)C2)nc1 ZINC000156509068 224656575 /nfs/dbraw/zinc/65/65/75/224656575.db2.gz ILTDUSREHCSVCG-GJZGRUSLSA-N 0 0 333.432 1.974 10 0 EDAERN O=c1cc(I)cnn1Cc1cncn1C1CC1 ZINC000158567822 225044430 /nfs/dbraw/zinc/04/44/30/225044430.db2.gz ZGDPWDCRCDJQAW-UHFFFAOYSA-N 0 0 342.140 1.428 10 0 EDAERN COCCC[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000159395467 225208432 /nfs/dbraw/zinc/20/84/32/225208432.db2.gz HZITYADYFOUONZ-SNVBAGLBSA-N 0 0 345.193 1.840 10 0 EDAERN Cc1c(N)cc(Br)cc1S(=O)(=O)N1CCOCC1 ZINC000161630456 225663277 /nfs/dbraw/zinc/66/32/77/225663277.db2.gz TVDJUNQXTHKNKM-UHFFFAOYSA-N 0 0 335.223 1.361 10 0 EDAERN C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)C1 ZINC000164259809 226059033 /nfs/dbraw/zinc/05/90/33/226059033.db2.gz QPUISBSMQKLOQF-NXEZZACHSA-N 0 0 335.422 1.648 10 0 EDAERN C[C@H](CNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)[NH+](C)C ZINC000165604861 226130380 /nfs/dbraw/zinc/13/03/80/226130380.db2.gz DGXDZQKVCFTWRS-SSDOTTSWSA-N 0 0 338.788 1.406 10 0 EDAERN Nc1cc(Br)cc(C(=O)NCC2(O)CCOCC2)c1 ZINC000166148208 226149076 /nfs/dbraw/zinc/14/90/76/226149076.db2.gz ADOXBKDEEIOOOA-UHFFFAOYSA-N 0 0 329.194 1.303 10 0 EDAERN COCCn1ncc(Br)c1[C@H](NN)c1ccsc1 ZINC000166390828 226156556 /nfs/dbraw/zinc/15/65/56/226156556.db2.gz QXRZGXHPLKCMEV-SNVBAGLBSA-N 0 0 331.239 1.906 10 0 EDAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1N ZINC000166781460 226170049 /nfs/dbraw/zinc/17/00/49/226170049.db2.gz YISCEZMVMWLIIC-JGVFFNPUSA-N 0 0 337.239 1.327 10 0 EDAERN Cc1cc(Br)cc(C=O)c1OCC(=O)N1CCOCC1 ZINC000166944220 226174582 /nfs/dbraw/zinc/17/45/82/226174582.db2.gz VFZHCEZGJGVCMJ-UHFFFAOYSA-N 0 0 342.189 1.808 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1CC(=O)c1ccc(Br)cc1 ZINC000168214572 226210195 /nfs/dbraw/zinc/21/01/95/226210195.db2.gz FLNFFLUWPQKEEW-MFKMUULPSA-N 0 0 328.206 1.713 10 0 EDAERN O=S(=O)(c1c(Cl)cccc1Cl)N1CCOC[C@@H]1CO ZINC000168667093 226221332 /nfs/dbraw/zinc/22/13/32/226221332.db2.gz QSUHFXKBZAHOHZ-QMMMGPOBSA-N 0 0 326.201 1.375 10 0 EDAERN CCn1cc(Br)cc1C(=O)N1C[C@H](O)C[C@H]1C(=O)OC ZINC000168904107 226226476 /nfs/dbraw/zinc/22/64/76/226226476.db2.gz WQVITHWIJYOSDT-KOLCDFICSA-N 0 0 345.193 1.019 10 0 EDAERN Cc1cc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)n(C)n1 ZINC000170581422 226630541 /nfs/dbraw/zinc/63/05/41/226630541.db2.gz IIDXYZUFNNYBCP-UHFFFAOYSA-N 0 0 328.420 1.990 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171399748 227061501 /nfs/dbraw/zinc/06/15/01/227061501.db2.gz RSGWFBFNYFQEIJ-INIZCTEOSA-N 0 0 342.399 1.869 10 0 EDAERN Cn1cnnc1[C@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000120405783 221569243 /nfs/dbraw/zinc/56/92/43/221569243.db2.gz OGBCWBRGWPGZFS-CHWSQXEVSA-N 0 0 349.435 1.736 10 0 EDAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC000120284759 221536968 /nfs/dbraw/zinc/53/69/68/221536968.db2.gz JIDZCJSXMVEWCS-KBPBESRZSA-N 0 0 327.432 1.729 10 0 EDAERN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121180223 221778727 /nfs/dbraw/zinc/77/87/27/221778727.db2.gz NRLUNNQRDLZQEA-SNVBAGLBSA-N 0 0 326.780 1.579 10 0 EDAERN CN(CCOCc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000122049116 222003265 /nfs/dbraw/zinc/00/32/65/222003265.db2.gz XIBBZDFSYJOCGY-HNNXBMFYSA-N 0 0 329.404 1.451 10 0 EDAERN COc1ccc(F)cc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000122387721 222075610 /nfs/dbraw/zinc/07/56/10/222075610.db2.gz ZFNJNNCONFECKK-ZDUSSCGKSA-N 0 0 334.351 1.964 10 0 EDAERN CN(CCOCc1ccccc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000123000463 222198037 /nfs/dbraw/zinc/19/80/37/222198037.db2.gz UMIVVEVNVGNNDZ-OAHLLOKOSA-N 0 0 329.404 1.971 10 0 EDAERN O=C1NCCCN1C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 ZINC000123129756 222221273 /nfs/dbraw/zinc/22/12/73/222221273.db2.gz SRNRGYASEYERLM-NTEUORMPSA-N 0 0 349.456 1.867 10 0 EDAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123309870 222253813 /nfs/dbraw/zinc/25/38/13/222253813.db2.gz KAFBDQGUJZSWHG-BZNIZROVSA-N 0 0 337.807 1.827 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123401394 222271769 /nfs/dbraw/zinc/27/17/69/222271769.db2.gz LFWDVWIYZXPBAG-GUYCJALGSA-N 0 0 334.420 1.556 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124211327 222391502 /nfs/dbraw/zinc/39/15/02/222391502.db2.gz RWFOPXSEFMEKRZ-CQSZACIVSA-N 0 0 336.436 1.897 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)Nc3nncs3)CC2)n1 ZINC000171837047 227310437 /nfs/dbraw/zinc/31/04/37/227310437.db2.gz ORDNHSVRCSOHKC-VIFPVBQESA-N 0 0 337.409 1.394 10 0 EDAERN C[C@@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)C(=O)N(C)C ZINC000172356977 227649763 /nfs/dbraw/zinc/64/97/63/227649763.db2.gz VDTSAQJDSBQJMS-GFCCVEGCSA-N 0 0 345.403 1.136 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(CNC(C)=O)s1 ZINC000151075604 287592008 /nfs/dbraw/zinc/59/20/08/287592008.db2.gz ADHVSEUETHTBCA-GFCCVEGCSA-N 0 0 347.444 1.803 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cn1 ZINC000193378801 272991917 /nfs/dbraw/zinc/99/19/17/272991917.db2.gz ISOQNNLRBBUZJW-GFCCVEGCSA-N 0 0 331.347 1.881 10 0 EDAERN Cc1cnn(C[C@H]2CN(C[C@@H](O)c3cc(F)ccc3F)CCO2)c1 ZINC000247224517 273015774 /nfs/dbraw/zinc/01/57/74/273015774.db2.gz QUIWHHVFFCGEOI-RHSMWYFYSA-N 0 0 337.370 1.904 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)cc1F ZINC000088327656 267432995 /nfs/dbraw/zinc/43/29/95/267432995.db2.gz YARMUOKETBWKDC-VIFPVBQESA-N 0 0 326.349 1.866 10 0 EDAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000188878261 267765722 /nfs/dbraw/zinc/76/57/22/267765722.db2.gz WNKLWAWVLJQFBK-CZUORRHYSA-N 0 0 345.447 1.489 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000190349597 267794904 /nfs/dbraw/zinc/79/49/04/267794904.db2.gz DYPVODKCJAZGIJ-LBPRGKRZSA-N 0 0 349.435 1.947 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1 ZINC000190520043 267800104 /nfs/dbraw/zinc/80/01/04/267800104.db2.gz OXAIQBMMGPITAW-UHFFFAOYSA-N 0 0 326.400 1.509 10 0 EDAERN CCc1nc(NC(=O)C(=O)N2CCC([C@H](C)O)CC2)sc1C ZINC000192925000 267834787 /nfs/dbraw/zinc/83/47/87/267834787.db2.gz WYQDFNYCFYOVMQ-VIFPVBQESA-N 0 0 325.434 1.572 10 0 EDAERN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CNC(=O)C1 ZINC000194823822 267866237 /nfs/dbraw/zinc/86/62/37/267866237.db2.gz LFUWUGQKWISAIQ-ZJUUUORDSA-N 0 0 330.306 1.725 10 0 EDAERN Cc1csc([C@@H]2CN(C[C@H](O)COCc3ccco3)CCO2)n1 ZINC000195404451 267902604 /nfs/dbraw/zinc/90/26/04/267902604.db2.gz PMBWUNNLYINIOE-ZFWWWQNUSA-N 0 0 338.429 1.996 10 0 EDAERN C[C@@H](CNC(=O)NCCc1nc2ccccc2[nH]1)N1CCOCC1 ZINC000046261251 272912339 /nfs/dbraw/zinc/91/23/39/272912339.db2.gz PMWMKQCFXDLADG-ZDUSSCGKSA-N 0 0 331.420 1.125 10 0 EDAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)CCS(C)(=O)=O)o1 ZINC000173716492 272934541 /nfs/dbraw/zinc/93/45/41/272934541.db2.gz NHYDOLIARUSVLV-GFCCVEGCSA-N 0 0 335.447 1.489 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000174137801 272935145 /nfs/dbraw/zinc/93/51/45/272935145.db2.gz IGUUYHYDLFZYSO-KGLIPLIRSA-N 0 0 342.461 1.666 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177650725 272941519 /nfs/dbraw/zinc/94/15/19/272941519.db2.gz BSBOJBSLJOZIPD-OAHLLOKOSA-N 0 0 342.399 1.312 10 0 EDAERN COc1ccc(/C=C\C(=O)N[C@@H]2CCCn3ncnc32)cc1OC ZINC000255558007 287843908 /nfs/dbraw/zinc/84/39/08/287843908.db2.gz DGPOWBCYJGECJN-FWPCIQOSSA-N 0 0 328.372 1.960 10 0 EDAERN COc1ccc2c(c1)C[C@H](C(=O)N[C@H]1CCCn3nc(C)nc31)CO2 ZINC000081589086 277964089 /nfs/dbraw/zinc/96/40/89/277964089.db2.gz RJLPHKNZWWGBLE-ZFWWWQNUSA-N 0 0 342.399 1.798 10 0 EDAERN CC(=O)N(C[C@@H]1CCCN1C(=O)C[C@@H](C)N1CCCCC1=O)C1CC1 ZINC000328712223 277971267 /nfs/dbraw/zinc/97/12/67/277971267.db2.gz CHANKZKKVLLZSK-PBHICJAKSA-N 0 0 349.475 1.779 10 0 EDAERN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21 ZINC000006819328 278050524 /nfs/dbraw/zinc/05/05/24/278050524.db2.gz JKWDDYNDFFBWCZ-LBPRGKRZSA-N 0 0 338.429 1.853 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000188727689 278072488 /nfs/dbraw/zinc/07/24/88/278072488.db2.gz STKZMCKQKKZJLS-FGTMMUONSA-N 0 0 346.427 1.176 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)[C@@H](C)C2 ZINC000182318134 278886923 /nfs/dbraw/zinc/88/69/23/278886923.db2.gz IXAPEVNKEGVTKK-BLLLJJGKSA-N 0 0 339.395 1.682 10 0 EDAERN C[C@H](C(=O)N1CCCC1)N1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000088596011 279189686 /nfs/dbraw/zinc/18/96/86/279189686.db2.gz BMPHZQKQDWCXPY-YLJYHZDGSA-N 0 0 345.487 1.523 10 0 EDAERN C[C@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000135612457 279360046 /nfs/dbraw/zinc/36/00/46/279360046.db2.gz IDXZWWHKSZXZAV-KDOFPFPSSA-N 0 0 338.407 1.751 10 0 EDAERN CC(C)[C@@H]1N(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@@]12CCCO2 ZINC000329327863 280040139 /nfs/dbraw/zinc/04/01/39/280040139.db2.gz KCJQUSVLTZHTDD-ZFWWWQNUSA-N 0 0 329.462 1.760 10 0 EDAERN CC(C)[C@H]1N(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@]12CCCO2 ZINC000329358534 280448359 /nfs/dbraw/zinc/44/83/59/280448359.db2.gz BMLHYAFCFBRNSL-RDTXWAMCSA-N 0 0 349.431 1.471 10 0 EDAERN COC[C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000182579536 292748909 /nfs/dbraw/zinc/74/89/09/292748909.db2.gz VKFBWPOJOQUFCB-ZWNOBZJWSA-N 0 0 344.333 1.987 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000246798748 290107394 /nfs/dbraw/zinc/10/73/94/290107394.db2.gz RDUPHKMHGKXTMW-BIENJYKASA-N 0 0 346.427 1.072 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)CC2CCCCC2)n1 ZINC000183746892 302856520 /nfs/dbraw/zinc/85/65/20/302856520.db2.gz STVKVQBSGGHVGV-CYBMUJFWSA-N 0 0 329.422 1.661 10 0 EDAERN Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000157999779 302915371 /nfs/dbraw/zinc/91/53/71/302915371.db2.gz FVRBTQTTXSCHNK-HOTGVXAUSA-N 0 0 342.399 1.473 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)CC[C@@H]21 ZINC000299744217 303657252 /nfs/dbraw/zinc/65/72/52/303657252.db2.gz NYISCACMIUDSRH-KGLIPLIRSA-N 0 0 332.404 1.147 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCNC(=O)C1CC1 ZINC000043945340 440812457 /nfs/dbraw/zinc/81/24/57/440812457.db2.gz CBYGBSGFGRVRFL-CZUORRHYSA-N 0 0 345.443 1.474 10 0 EDAERN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCCCCCO ZINC000006691904 441006634 /nfs/dbraw/zinc/00/66/34/441006634.db2.gz NUCYJOAYBYFSDA-VNHYZAJKSA-N 0 0 343.493 1.381 10 0 EDAERN COc1ccc(CCCNC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000057389850 441112293 /nfs/dbraw/zinc/11/22/93/441112293.db2.gz JJNSXNYBGUDWDO-OAHLLOKOSA-N 0 0 335.448 1.648 10 0 EDAERN Cn1c(=O)[nH]nc1SCC(=O)c1ccc(Br)s1 ZINC000057440048 441115307 /nfs/dbraw/zinc/11/53/07/441115307.db2.gz PGCJGBKLDPJRIB-UHFFFAOYSA-N 0 0 334.220 1.907 10 0 EDAERN CN(C)C(=O)c1cccc(NC(=O)CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000070693754 441115920 /nfs/dbraw/zinc/11/59/20/441115920.db2.gz KJGMWFOGHJPINI-IRXDYDNUSA-N 0 0 345.443 1.970 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1cnc2ccccc2c1)N1CCOCC1 ZINC000070967686 441130819 /nfs/dbraw/zinc/13/08/19/441130819.db2.gz MRSNATPCEJVGBO-ZDUSSCGKSA-N 0 0 342.399 1.010 10 0 EDAERN CCN(CC)CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000012141691 441127733 /nfs/dbraw/zinc/12/77/33/441127733.db2.gz BAOFEJJKSUKJMM-BBRMVZONSA-N 0 0 330.494 1.643 10 0 EDAERN Cc1nnc(CN2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C ZINC000103149694 441176583 /nfs/dbraw/zinc/17/65/83/441176583.db2.gz NEQGJEKHKCQDDN-UHFFFAOYSA-N 0 0 348.495 1.032 10 0 EDAERN CSc1nc(C)c(CCC(=O)N[C@@H]2COc3ccccc32)c(=O)[nH]1 ZINC000058729662 441209815 /nfs/dbraw/zinc/20/98/15/441209815.db2.gz LEGUUXXSIZUOLB-CYBMUJFWSA-N 0 0 345.424 1.983 10 0 EDAERN Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000105281859 441248470 /nfs/dbraw/zinc/24/84/70/441248470.db2.gz NLQWQBBOYKBSHF-OAHLLOKOSA-N 0 0 343.431 1.941 10 0 EDAERN CCS(=O)(=O)NCCCNc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000105789040 441269806 /nfs/dbraw/zinc/26/98/06/441269806.db2.gz FBNUPYBTVMEQHL-ZDUSSCGKSA-N 0 0 341.481 1.454 10 0 EDAERN COc1ccc(NC(=O)CN2CCCN(c3cccnn3)CC2)cc1 ZINC000105798493 441273841 /nfs/dbraw/zinc/27/38/41/441273841.db2.gz AJKKTPXFPNGTAC-UHFFFAOYSA-N 0 0 341.415 1.636 10 0 EDAERN C[C@@H](C(=O)Nc1ncccn1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806726 441276139 /nfs/dbraw/zinc/27/61/39/441276139.db2.gz QGNGTTPZSGBSKJ-ZDUSSCGKSA-N 0 0 341.419 1.194 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000105864434 441295783 /nfs/dbraw/zinc/29/57/83/441295783.db2.gz ALEBQLNQSZXVEJ-YOEHRIQHSA-N 0 0 330.432 1.660 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC000105861851 441293221 /nfs/dbraw/zinc/29/32/21/441293221.db2.gz RTHJCCQLGAXNTI-HNNXBMFYSA-N 0 0 336.436 1.590 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1C ZINC000106193574 441328395 /nfs/dbraw/zinc/32/83/95/441328395.db2.gz VUAJHNAUBRMVMC-OAHLLOKOSA-N 0 0 344.415 1.614 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000106368219 441334502 /nfs/dbraw/zinc/33/45/02/441334502.db2.gz ARRJCHOTSNKCTL-LLVKDONJSA-N 0 0 326.447 1.928 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)CSc2nc3ccccc3o2)CC1 ZINC000106395641 441338315 /nfs/dbraw/zinc/33/83/15/441338315.db2.gz AFLJFRIEWOAPTB-ZDUSSCGKSA-N 0 0 349.456 1.835 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000106398489 441339450 /nfs/dbraw/zinc/33/94/50/441339450.db2.gz FGFSYKQJCPHJKM-CQSZACIVSA-N 0 0 348.447 1.112 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(CC(C)(C)O)CC1)C(C)C ZINC000106398847 441339649 /nfs/dbraw/zinc/33/96/49/441339649.db2.gz FTAASCCMRBVAMT-INIZCTEOSA-N 0 0 341.496 1.088 10 0 EDAERN CCn1ccnc1CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O ZINC000106436848 441343080 /nfs/dbraw/zinc/34/30/80/441343080.db2.gz FFLLUHJKSNMDKK-SFHVURJKSA-N 0 0 342.399 1.965 10 0 EDAERN C[C@H]1CCCC[C@H]1NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869077 441298843 /nfs/dbraw/zinc/29/88/43/441298843.db2.gz SURFSVYCOVZWPE-FUHWJXTLSA-N 0 0 347.507 1.623 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869664 441299755 /nfs/dbraw/zinc/29/97/55/441299755.db2.gz ZQSIDXSJQINPCR-HZPDHXFCSA-N 0 0 335.496 1.621 10 0 EDAERN CN(C(=O)CN1CCCN(Cc2cnn(C)c2)CC1)C1CCCCC1 ZINC000105869456 441300423 /nfs/dbraw/zinc/30/04/23/441300423.db2.gz AIRJEGNCWHUXKZ-UHFFFAOYSA-N 0 0 347.507 1.719 10 0 EDAERN O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1cccnc1Cl ZINC000105883344 441305626 /nfs/dbraw/zinc/30/56/26/441305626.db2.gz IBIQHQPMZQSCNY-GFCCVEGCSA-N 0 0 334.811 1.677 10 0 EDAERN O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1ccc(F)cc1 ZINC000105890330 441309038 /nfs/dbraw/zinc/30/90/38/441309038.db2.gz YTIPAMZBGPHBRD-MRXNPFEDSA-N 0 0 332.379 1.752 10 0 EDAERN COc1ccc(NC(=O)CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000105891565 441310001 /nfs/dbraw/zinc/31/00/01/441310001.db2.gz ZXPFSAFHKPPGEK-QGZVFWFLSA-N 0 0 344.415 1.540 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)N(C)[C@@H](C)CC(C)C)CCO2)c1 ZINC000105892691 441310098 /nfs/dbraw/zinc/31/00/98/441310098.db2.gz RKFDKOHSONKFDN-IRXDYDNUSA-N 0 0 336.480 1.785 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000105903339 441314166 /nfs/dbraw/zinc/31/41/66/441314166.db2.gz XKKFYPSXSCOLSW-UONOGXRCSA-N 0 0 326.441 1.097 10 0 EDAERN CCCC[C@@H](C(=O)OC)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000105908808 441315031 /nfs/dbraw/zinc/31/50/31/441315031.db2.gz REPSOULCSQRJHO-AWEZNQCLSA-N 0 0 346.435 1.287 10 0 EDAERN C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000106904992 441386603 /nfs/dbraw/zinc/38/66/03/441386603.db2.gz UIWWANUZVOKDCB-QGZVFWFLSA-N 0 0 339.443 1.298 10 0 EDAERN CSc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083755092 441376388 /nfs/dbraw/zinc/37/63/88/441376388.db2.gz UOPBZEOVSLMKSD-LBPRGKRZSA-N 0 0 345.428 1.898 10 0 EDAERN C[C@@H](c1ccc(S(C)(=O)=O)cc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000029874249 441475958 /nfs/dbraw/zinc/47/59/58/441475958.db2.gz PYQOLJKSJKEEEI-NSHDSACASA-N 0 0 344.392 1.703 10 0 EDAERN COC(=O)c1sc(N2CCO[C@H](Cn3cccn3)C2)nc1Cl ZINC000108949584 441482859 /nfs/dbraw/zinc/48/28/59/441482859.db2.gz ANIQXKYWTLVPSR-VIFPVBQESA-N 0 0 342.808 1.685 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000075531203 441531081 /nfs/dbraw/zinc/53/10/81/441531081.db2.gz RRNDKMOZQJJWQC-SMDDNHRTSA-N 0 0 328.409 1.751 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@](C)(O)c1ccc(F)cc1 ZINC000089258490 441531277 /nfs/dbraw/zinc/53/12/77/441531277.db2.gz JQIQTZPYONMRMF-PIGZYNQJSA-N 0 0 334.347 1.561 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)C1CCC(C(=O)OC)CC1 ZINC000089369369 441542901 /nfs/dbraw/zinc/54/29/01/441542901.db2.gz QASVIKVRGXXHPA-UHFFFAOYSA-N 0 0 337.420 1.587 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000109653253 441502720 /nfs/dbraw/zinc/50/27/20/441502720.db2.gz JYLWUQYXSDIMTI-UHFFFAOYSA-N 0 0 344.390 1.906 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000089701168 441571348 /nfs/dbraw/zinc/57/13/48/441571348.db2.gz CSPUQEJAJDCNSW-RYUDHWBXSA-N 0 0 337.424 1.564 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000076031411 441580458 /nfs/dbraw/zinc/58/04/58/441580458.db2.gz ULGYCCCIKLNYNN-NHYWBVRUSA-N 0 0 334.397 1.896 10 0 EDAERN CCOC(=O)CNc1ncc(Br)nc1Br ZINC000113193163 441586271 /nfs/dbraw/zinc/58/62/71/441586271.db2.gz ZLTDABKISAGHGQ-UHFFFAOYSA-N 0 0 338.987 1.977 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000076075929 441594355 /nfs/dbraw/zinc/59/43/55/441594355.db2.gz MFOYJGHFVAUALZ-COPLHBTASA-N 0 0 325.434 1.706 10 0 EDAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)C[C@H](C)CC)CC2)n1 ZINC000113292605 441598281 /nfs/dbraw/zinc/59/82/81/441598281.db2.gz VHSLJAUIOMPRQY-OLZOCXBDSA-N 0 0 344.481 1.687 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)CC2 ZINC000114874174 441694624 /nfs/dbraw/zinc/69/46/24/441694624.db2.gz HNFSTBKRDJDPGO-NSHDSACASA-N 0 0 338.408 1.581 10 0 EDAERN Cc1ccccc1CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115204927 441718188 /nfs/dbraw/zinc/71/81/88/441718188.db2.gz OTBXSYCBNBVJGP-SJLPKXTDSA-N 0 0 340.427 1.954 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1c(C)noc1C)CC2 ZINC000114962332 441704058 /nfs/dbraw/zinc/70/40/58/441704058.db2.gz AHIOJENWNJHPJR-GFCCVEGCSA-N 0 0 332.408 1.302 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccnc(OCC(F)(F)F)c2)c1 ZINC000121450343 441708535 /nfs/dbraw/zinc/70/85/35/441708535.db2.gz SBVHBXXPQKZGQJ-UHFFFAOYSA-N 0 0 328.294 1.958 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cc(C)on2)ncn1 ZINC000173418282 441743222 /nfs/dbraw/zinc/74/32/22/441743222.db2.gz ATEXWAZFMKIKQB-ZDUSSCGKSA-N 0 0 330.392 1.142 10 0 EDAERN O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@@H]1Cn1ccnc1 ZINC000121652840 441751460 /nfs/dbraw/zinc/75/14/60/441751460.db2.gz SMPPIACOUNRZJL-MRXNPFEDSA-N 0 0 336.399 1.833 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(OC)cc2)ncn1 ZINC000173442819 441752199 /nfs/dbraw/zinc/75/21/99/441752199.db2.gz WOXZHSODBBVCRJ-CQSZACIVSA-N 0 0 341.415 1.926 10 0 EDAERN CCc1ncc(C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)s1 ZINC000173447186 441754311 /nfs/dbraw/zinc/75/43/11/441754311.db2.gz WMUCUKVEGXEUCL-LLVKDONJSA-N 0 0 346.460 1.936 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)Cn2nnnc2C(C)C)C12CCCC2 ZINC000173461703 441758373 /nfs/dbraw/zinc/75/83/73/441758373.db2.gz LDCYBXLVJOONEJ-KBPBESRZSA-N 0 0 335.452 1.993 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCCn1ccnc1 ZINC000121728521 441766246 /nfs/dbraw/zinc/76/62/46/441766246.db2.gz FRZSOCDFXKZMQZ-ZDUSSCGKSA-N 0 0 331.424 1.604 10 0 EDAERN COc1ccc(NC(=O)[C@H](C)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173353374 441722151 /nfs/dbraw/zinc/72/21/51/441722151.db2.gz UTSSWCYFLCFWIP-NHYWBVRUSA-N 0 0 345.403 1.522 10 0 EDAERN O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCCC[C@H]1O ZINC000077162163 441725610 /nfs/dbraw/zinc/72/56/10/441725610.db2.gz XSKGPJNSCCQBJP-CZUORRHYSA-N 0 0 343.427 1.913 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3cc(C)nn3C)C2)n1 ZINC000173384629 441729686 /nfs/dbraw/zinc/72/96/86/441729686.db2.gz DBSNNUAZRLFJAG-LBPRGKRZSA-N 0 0 347.444 1.838 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173663024 441818237 /nfs/dbraw/zinc/81/82/37/441818237.db2.gz BLIKYBQMOHHDPB-HNNXBMFYSA-N 0 0 345.403 1.442 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)NCc3cccc(C)c3)CCO2)[nH]1 ZINC000173663537 441819302 /nfs/dbraw/zinc/81/93/02/441819302.db2.gz BTIQOXLYIBCQBN-OAHLLOKOSA-N 0 0 329.404 1.111 10 0 EDAERN CSC1(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)CCOCC1 ZINC000173509226 441773837 /nfs/dbraw/zinc/77/38/37/441773837.db2.gz JXPLXSCDDVOMDE-ZDUSSCGKSA-N 0 0 338.477 1.831 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(C)nc4onc(C)c43)CCO2)[nH]1 ZINC000173518441 441774588 /nfs/dbraw/zinc/77/45/88/441774588.db2.gz AVQLUKVWHCIJBK-GFCCVEGCSA-N 0 0 342.359 1.480 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccco2)cs1 ZINC000116211855 441801257 /nfs/dbraw/zinc/80/12/57/441801257.db2.gz FWGWTCKFPHCNHC-SNVBAGLBSA-N 0 0 326.399 1.966 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CNc3c(C)cccc3C)CCO2)[nH]1 ZINC000173603855 441802171 /nfs/dbraw/zinc/80/21/71/441802171.db2.gz XAXFHWRNYSWWFT-CQSZACIVSA-N 0 0 329.404 1.742 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)NCCOc3cccc(F)c3)C2)cn1 ZINC000116317330 441811260 /nfs/dbraw/zinc/81/12/60/441811260.db2.gz KUPWECGZBSPCKR-AWEZNQCLSA-N 0 0 346.406 1.544 10 0 EDAERN COC(=O)c1ccc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116314805 441812232 /nfs/dbraw/zinc/81/22/32/441812232.db2.gz AAROORQSNSWYEW-CQSZACIVSA-N 0 0 342.399 1.635 10 0 EDAERN C[C@H](NC(=O)CNC(=O)c1ccccn1)c1cccc(-n2ccnc2)c1 ZINC000173953319 441868843 /nfs/dbraw/zinc/86/88/43/441868843.db2.gz GZRWOGSYUHXLJT-AWEZNQCLSA-N 0 0 349.394 1.875 10 0 EDAERN COCCN1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000117296212 441869096 /nfs/dbraw/zinc/86/90/96/441869096.db2.gz KRSIALCYYUJJLG-CQSZACIVSA-N 0 0 343.427 1.250 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116586855 441831193 /nfs/dbraw/zinc/83/11/93/441831193.db2.gz XVTPOLOXQASDTC-AWEZNQCLSA-N 0 0 326.400 1.992 10 0 EDAERN NC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116578541 441831921 /nfs/dbraw/zinc/83/19/21/441831921.db2.gz UKUGIJMSOYGWGJ-ZDUSSCGKSA-N 0 0 327.340 1.681 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCCO3)c2)n[nH]1 ZINC000077707747 441835398 /nfs/dbraw/zinc/83/53/98/441835398.db2.gz HWFATURMKRMQNS-HZMBPMFUSA-N 0 0 343.387 1.402 10 0 EDAERN O=C(NCC1(c2ccccc2)CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173767823 441837467 /nfs/dbraw/zinc/83/74/67/441837467.db2.gz DWDCAYQZDOYYCG-KRWDZBQOSA-N 0 0 329.444 1.834 10 0 EDAERN Cc1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1-n1cncn1 ZINC000173786624 441840007 /nfs/dbraw/zinc/84/00/07/441840007.db2.gz WYQATYRIAZPEBG-HNNXBMFYSA-N 0 0 336.399 1.939 10 0 EDAERN Cc1cnn(CCC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000116776872 441841801 /nfs/dbraw/zinc/84/18/01/441841801.db2.gz OOSKTPLAUKAQCJ-MRXNPFEDSA-N 0 0 330.436 1.729 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C(=O)Nc3ccccc3)C2)n1 ZINC000116777434 441842356 /nfs/dbraw/zinc/84/23/56/441842356.db2.gz UMNSXWDZGARXRY-HNNXBMFYSA-N 0 0 341.415 1.772 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3nncn3c2)C[C@@H]1CC ZINC000116769916 441842849 /nfs/dbraw/zinc/84/28/49/441842849.db2.gz IHXUDUSZKVNOND-HNNXBMFYSA-N 0 0 331.420 1.302 10 0 EDAERN COc1ccc(OC)c(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173816919 441844080 /nfs/dbraw/zinc/84/40/80/441844080.db2.gz GMNMIJCDVOTIGD-PBHICJAKSA-N 0 0 348.443 1.425 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CCS1 ZINC000077748843 441847479 /nfs/dbraw/zinc/84/74/79/441847479.db2.gz GUCPSASUWDTART-JTQLQIEISA-N 0 0 349.391 1.309 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000043704036 441854874 /nfs/dbraw/zinc/85/48/74/441854874.db2.gz MLHKBCQTOJVCLA-ZDUSSCGKSA-N 0 0 346.431 1.523 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC2CCC(O)CC2)ncn1 ZINC000174000446 441875752 /nfs/dbraw/zinc/87/57/52/441875752.db2.gz RTAKQYHGSPAGBI-MOKVOYLWSA-N 0 0 348.451 1.090 10 0 EDAERN COc1cccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)c1OC ZINC000174142513 441892618 /nfs/dbraw/zinc/89/26/18/441892618.db2.gz NEHUJAMTQSHGPZ-AWEZNQCLSA-N 0 0 345.403 1.842 10 0 EDAERN O=C(CCNC(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCCCC1 ZINC000174477286 441928252 /nfs/dbraw/zinc/92/82/52/441928252.db2.gz GWVKLZMZCBSPNV-OAHLLOKOSA-N 0 0 348.451 1.417 10 0 EDAERN CC[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)CCN1C[C@@H](C)O ZINC000174590793 441941179 /nfs/dbraw/zinc/94/11/79/441941179.db2.gz ZAABMWDFXKOTDX-NVXWUHKLSA-N 0 0 332.444 1.953 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000124687539 441944315 /nfs/dbraw/zinc/94/43/15/441944315.db2.gz GHOIQOFRWFHXSG-CZUORRHYSA-N 0 0 346.493 1.536 10 0 EDAERN CCN(CCn1cccn1)C(=O)Cn1sc2ccccc2c1=O ZINC000095527658 441949846 /nfs/dbraw/zinc/94/98/46/441949846.db2.gz HHZZZAPIXDPICZ-UHFFFAOYSA-N 0 0 330.413 1.808 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)CCN2C(=O)CCC2=O)C12CCCC2 ZINC000150807908 441954617 /nfs/dbraw/zinc/95/46/17/441954617.db2.gz RVRGWKGBDNVCAC-KGLIPLIRSA-N 0 0 336.432 1.722 10 0 EDAERN C[C@H](CNC(=O)N[C@@H](C)COCc1ccccc1)CN1CCOCC1 ZINC000175180325 442011273 /nfs/dbraw/zinc/01/12/73/442011273.db2.gz ARYZAAGNYKQNRU-SJORKVTESA-N 0 0 349.475 1.859 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC000161566331 442012637 /nfs/dbraw/zinc/01/26/37/442012637.db2.gz XWVJHVGBRXTXKU-STQMWFEESA-N 0 0 334.420 1.571 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000151284825 442037295 /nfs/dbraw/zinc/03/72/95/442037295.db2.gz IYFNGRMMTAPNTI-JLSDUUJJSA-N 0 0 330.428 1.480 10 0 EDAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)s1 ZINC000126288061 442096234 /nfs/dbraw/zinc/09/62/34/442096234.db2.gz KOJKAKQMQGPINR-GXFFZTMASA-N 0 0 346.474 1.273 10 0 EDAERN CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000120544636 442093079 /nfs/dbraw/zinc/09/30/79/442093079.db2.gz MUVIAQOXNWJCBX-WBVHZDCISA-N 0 0 339.480 1.500 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCOCc3ccccc3)CCO2)[nH]1 ZINC000175613608 442093513 /nfs/dbraw/zinc/09/35/13/442093513.db2.gz XXRGWQUNNBUZGQ-HNNXBMFYSA-N 0 0 345.403 1.413 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C12CCCC2 ZINC000120310513 442047506 /nfs/dbraw/zinc/04/75/06/442047506.db2.gz DEAYVXQGBVEIIJ-CABCVRRESA-N 0 0 333.432 1.934 10 0 EDAERN O=C(NCCNC(=O)C1CC1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000161966190 442050473 /nfs/dbraw/zinc/05/04/73/442050473.db2.gz ULRVMFJCIFZEHD-CYBMUJFWSA-N 0 0 343.349 1.985 10 0 EDAERN O=C(NC1CC1)C(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000162000516 442054059 /nfs/dbraw/zinc/05/40/59/442054059.db2.gz FCJRWVMKXNJCPZ-STQMWFEESA-N 0 0 342.317 1.618 10 0 EDAERN Cc1nc(CCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)sc1C ZINC000151433615 442061447 /nfs/dbraw/zinc/06/14/47/442061447.db2.gz RKSCRUZHSNAWRW-CQSZACIVSA-N 0 0 346.456 1.698 10 0 EDAERN COCCC1(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000162082835 442062945 /nfs/dbraw/zinc/06/29/45/442062945.db2.gz NDWZBETVLFUHEF-UHFFFAOYSA-N 0 0 348.447 1.798 10 0 EDAERN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H]1C[C@@H]1C)CC2 ZINC000162137431 442068566 /nfs/dbraw/zinc/06/85/66/442068566.db2.gz RXGJPTWTYIXIGH-WFASDCNBSA-N 0 0 346.427 1.893 10 0 EDAERN COC[C@@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccco1 ZINC000175729820 442112686 /nfs/dbraw/zinc/11/26/86/442112686.db2.gz MGNYGAMYODKXLV-ZIAGYGMSSA-N 0 0 334.376 1.274 10 0 EDAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175751372 442116489 /nfs/dbraw/zinc/11/64/89/442116489.db2.gz LXSLEOAXYMMDOJ-QMMMGPOBSA-N 0 0 335.360 1.627 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](n3ccnc3CC)C2)C1 ZINC000151769819 442118076 /nfs/dbraw/zinc/11/80/76/442118076.db2.gz BZIKSXAICFAPIS-GJZGRUSLSA-N 0 0 347.463 1.803 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C1(CC)CC ZINC000175771352 442119068 /nfs/dbraw/zinc/11/90/68/442119068.db2.gz OWZLPWHWJMTGBZ-OWCLPIDISA-N 0 0 341.496 1.990 10 0 EDAERN CC[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1ccccc1F ZINC000175787446 442122435 /nfs/dbraw/zinc/12/24/35/442122435.db2.gz YAEBFKSMUISDBN-QWHCGFSZSA-N 0 0 347.394 1.889 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000126696357 442134974 /nfs/dbraw/zinc/13/49/74/442134974.db2.gz NEVMGKIKRUDZIL-MRVPVSSYSA-N 0 0 338.355 1.292 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175878184 442138986 /nfs/dbraw/zinc/13/89/86/442138986.db2.gz LCPVGGWLTKJNOF-INIZCTEOSA-N 0 0 344.463 1.959 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NC[C@@H](CCO)CC(C)C)CCO2)[nH]1 ZINC000120859446 442142461 /nfs/dbraw/zinc/14/24/61/442142461.db2.gz UPDKWBPAJQLRBC-UONOGXRCSA-N 0 0 339.440 1.241 10 0 EDAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000162515453 442099537 /nfs/dbraw/zinc/09/95/37/442099537.db2.gz DXGMBFIYORUJAF-GOEBONIOSA-N 0 0 344.415 1.477 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccccc3O)CCO2)c1 ZINC000151647866 442100712 /nfs/dbraw/zinc/10/07/12/442100712.db2.gz BPDPVTMBSAAREK-AWEZNQCLSA-N 0 0 331.372 1.204 10 0 EDAERN CCOC(=O)C1(C(=O)N[C@H]2CCCN(c3cccnn3)C2)CCC1 ZINC000152123926 442167782 /nfs/dbraw/zinc/16/77/82/442167782.db2.gz LNDSWAKGWNSNRC-ZDUSSCGKSA-N 0 0 332.404 1.295 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NC[C@H]3CCCS3)CC2)cn1 ZINC000127130567 442172732 /nfs/dbraw/zinc/17/27/32/442172732.db2.gz FIRCVGZJLHRBSG-OAHLLOKOSA-N 0 0 337.493 1.533 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000163588453 442175223 /nfs/dbraw/zinc/17/52/23/442175223.db2.gz QVTNSCDJEDFPON-HNNXBMFYSA-N 0 0 343.383 1.969 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1F ZINC000176106234 442177101 /nfs/dbraw/zinc/17/71/01/442177101.db2.gz UBPJZHWJYOSXGY-LBPRGKRZSA-N 0 0 347.350 1.406 10 0 EDAERN O=C(c1cnc([C@@H]2CCCO2)s1)N1CCO[C@H](Cn2cccn2)C1 ZINC000127253434 442186280 /nfs/dbraw/zinc/18/62/80/442186280.db2.gz JBTURIFBZFABRR-STQMWFEESA-N 0 0 348.428 1.732 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000152238389 442186439 /nfs/dbraw/zinc/18/64/39/442186439.db2.gz QDFWPPQZXICNLH-GFCCVEGCSA-N 0 0 335.404 1.889 10 0 EDAERN COc1cccc(CCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 ZINC000127302719 442191061 /nfs/dbraw/zinc/19/10/61/442191061.db2.gz YNHWJVKLAJNLIU-KRWDZBQOSA-N 0 0 341.411 1.634 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000176242340 442199286 /nfs/dbraw/zinc/19/92/86/442199286.db2.gz TVZWBSSFTLLFAO-QKFKETGDSA-N 0 0 340.493 1.913 10 0 EDAERN O=C(CC1CCCCC1)NCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127423908 442201593 /nfs/dbraw/zinc/20/15/93/442201593.db2.gz UIVIORQPJCWPJO-INIZCTEOSA-N 0 0 347.463 1.603 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000121317258 442202289 /nfs/dbraw/zinc/20/22/89/442202289.db2.gz PBUNRXYHPHLJDF-CZUORRHYSA-N 0 0 344.415 1.575 10 0 EDAERN O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097015772 442155270 /nfs/dbraw/zinc/15/52/70/442155270.db2.gz NRAZRRWVPOQOMZ-DZGCQCFKSA-N 0 0 326.418 1.434 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000176001519 442159304 /nfs/dbraw/zinc/15/93/04/442159304.db2.gz VEOQBZFRKOFEKP-AWEZNQCLSA-N 0 0 343.387 1.434 10 0 EDAERN CCn1cc(NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)ccc1=O ZINC000120971111 442159738 /nfs/dbraw/zinc/15/97/38/442159738.db2.gz SWERNKNUYQGJIG-CYBMUJFWSA-N 0 0 344.419 1.720 10 0 EDAERN C[C@H](CNC(=O)c1ccnc(OCC(F)F)c1)N1CCOCC1 ZINC000152075809 442161998 /nfs/dbraw/zinc/16/19/98/442161998.db2.gz QRNKGROIMYRSQM-LLVKDONJSA-N 0 0 329.347 1.176 10 0 EDAERN C[C@H](CCc1cccn1C)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000176026554 442162765 /nfs/dbraw/zinc/16/27/65/442162765.db2.gz QBNRYGPYASAINK-WBVHZDCISA-N 0 0 345.447 1.653 10 0 EDAERN CC(=O)Nc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1C ZINC000127521962 442209464 /nfs/dbraw/zinc/20/94/64/442209464.db2.gz ZUMPKTRXBAWWLT-RYUDHWBXSA-N 0 0 326.418 1.751 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1c[nH]c3ncccc13)CC2 ZINC000176492685 442228650 /nfs/dbraw/zinc/22/86/50/442228650.db2.gz NQROMXNOIFCKHQ-ZDUSSCGKSA-N 0 0 338.415 1.952 10 0 EDAERN CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176563210 442234675 /nfs/dbraw/zinc/23/46/75/442234675.db2.gz OBEIUAADSYKAIN-SOUVJXGZSA-N 0 0 338.473 1.971 10 0 EDAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CCC(CC)CC1 ZINC000170666148 442245908 /nfs/dbraw/zinc/24/59/08/442245908.db2.gz AAUQOKHVRBELKP-RUXDESIVSA-N 0 0 332.466 1.817 10 0 EDAERN CC(C)n1ccnc1C[S@](=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000176893869 442269108 /nfs/dbraw/zinc/26/91/08/442269108.db2.gz JHDGMUMLRYRWOL-HSZRJFAPSA-N 0 0 340.449 1.433 10 0 EDAERN CC(C)c1nnc(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)o1 ZINC000176925361 442274464 /nfs/dbraw/zinc/27/44/64/442274464.db2.gz LBWGYHJIBKDQSQ-KGLIPLIRSA-N 0 0 336.436 1.305 10 0 EDAERN CCc1nc(C2(NC(=O)c3cc(C(N)=O)cn3C)CCCC2)no1 ZINC000128648083 442279889 /nfs/dbraw/zinc/27/98/89/442279889.db2.gz JMGQEJMQUQBEFC-UHFFFAOYSA-N 0 0 331.376 1.269 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCCOC[C@@H]2CCCO2)cn1 ZINC000170886537 442283725 /nfs/dbraw/zinc/28/37/25/442283725.db2.gz HKNGGGJZPPVRJS-HOTGVXAUSA-N 0 0 336.436 1.852 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCc2cccc(Cl)c2)C1 ZINC000170923528 442289304 /nfs/dbraw/zinc/28/93/04/442289304.db2.gz OFZUWKMKMHVEFD-OAHLLOKOSA-N 0 0 325.840 1.902 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC000176778361 442256888 /nfs/dbraw/zinc/25/68/88/442256888.db2.gz AAGRIKKAFDBTNJ-ZWNOBZJWSA-N 0 0 327.450 1.381 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000170758558 442258536 /nfs/dbraw/zinc/25/85/36/442258536.db2.gz YXHYDWGJRQECDE-ZIAGYGMSSA-N 0 0 332.400 1.589 10 0 EDAERN COc1ccc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000177250389 442320531 /nfs/dbraw/zinc/32/05/31/442320531.db2.gz IZZQCMWVVGQSDD-YOEHRIQHSA-N 0 0 333.432 1.286 10 0 EDAERN CN(C(=O)CCOC1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177280427 442324470 /nfs/dbraw/zinc/32/44/70/442324470.db2.gz JNIACEDIGFGWDI-HNNXBMFYSA-N 0 0 348.447 1.490 10 0 EDAERN C[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)N1CCc2ccccc21 ZINC000177322992 442328474 /nfs/dbraw/zinc/32/84/74/442328474.db2.gz KHZULRLNKDVXLG-UKRRQHHQSA-N 0 0 340.431 1.863 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CCO)CSC ZINC000129723650 442329758 /nfs/dbraw/zinc/32/97/58/442329758.db2.gz RARSCWKWUVIZAP-QWRGUYRKSA-N 0 0 327.454 1.089 10 0 EDAERN COCCN(Cc1ccccc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177343799 442329977 /nfs/dbraw/zinc/32/99/77/442329977.db2.gz UFOZDJHAQDFPKA-HNNXBMFYSA-N 0 0 329.404 1.971 10 0 EDAERN O=C(NCCn1c(=O)oc2ccccc21)N[C@H]1CCCn2ncnc21 ZINC000177352603 442331296 /nfs/dbraw/zinc/33/12/96/442331296.db2.gz MXFIPMHCWLSTMK-NSHDSACASA-N 0 0 342.359 1.020 10 0 EDAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)N[C@H]1CCCn2ncnc21 ZINC000177360773 442331920 /nfs/dbraw/zinc/33/19/20/442331920.db2.gz PJHWQCBEWXLYHZ-UONOGXRCSA-N 0 0 340.387 1.218 10 0 EDAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177399677 442337093 /nfs/dbraw/zinc/33/70/93/442337093.db2.gz UMRJVLWMDZUXFR-KRWDZBQOSA-N 0 0 327.428 1.811 10 0 EDAERN COc1ccc(CCC(=O)N[C@@H]2CCCn3ncnc32)cc1OC ZINC000177535013 442354460 /nfs/dbraw/zinc/35/44/60/442354460.db2.gz QYRWZKZCGHVMTD-CYBMUJFWSA-N 0 0 330.388 1.879 10 0 EDAERN C[C@H](SC[C@H](O)CO)C(=O)Nc1ccccc1Br ZINC000177440414 442341833 /nfs/dbraw/zinc/34/18/33/442341833.db2.gz PQAMFYNEDMZRHI-DTWKUNHWSA-N 0 0 334.235 1.863 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1ncc(C)s1)CC2 ZINC000177524458 442352997 /nfs/dbraw/zinc/35/29/97/442352997.db2.gz YWMKLKVZKDCCIH-MNOVXSKESA-N 0 0 334.449 1.981 10 0 EDAERN O=C(Nc1cccc(-c2cnco2)c1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177170176 442308929 /nfs/dbraw/zinc/30/89/29/442308929.db2.gz SBFMXUIEKANRBP-UONOGXRCSA-N 0 0 329.356 1.700 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000177209667 442314139 /nfs/dbraw/zinc/31/41/39/442314139.db2.gz YWAHATYZIAIQAY-ZDUSSCGKSA-N 0 0 338.367 1.380 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(CC)cc1)CC2 ZINC000177639141 442365288 /nfs/dbraw/zinc/36/52/88/442365288.db2.gz GBMSHAAUHMAYMY-CQSZACIVSA-N 0 0 341.415 1.473 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(CC)cc1)CC2 ZINC000177639152 442365341 /nfs/dbraw/zinc/36/53/41/442365341.db2.gz GBMSHAAUHMAYMY-AWEZNQCLSA-N 0 0 341.415 1.473 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177715429 442375064 /nfs/dbraw/zinc/37/50/64/442375064.db2.gz AHCSALWWDLMCTC-BBRMVZONSA-N 0 0 346.431 1.231 10 0 EDAERN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N[C@@H]1CCCC[C@@H]1O ZINC000131629282 442376334 /nfs/dbraw/zinc/37/63/34/442376334.db2.gz NUGGTBBEUNBXQE-MXWKQRLJSA-N 0 0 337.342 1.142 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@](C)(O)CCC(C)C)CC2 ZINC000155174438 442379852 /nfs/dbraw/zinc/37/98/52/442379852.db2.gz GYUUNNCVMTUHEL-GUYCJALGSA-N 0 0 337.468 1.642 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCCCN1CCOCC1)CC2 ZINC000171771067 442380305 /nfs/dbraw/zinc/38/03/05/442380305.db2.gz WYBBNNORJNIYAC-OAHLLOKOSA-N 0 0 349.479 1.335 10 0 EDAERN CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171796885 442381842 /nfs/dbraw/zinc/38/18/42/442381842.db2.gz QUXDTCKGSWMLHU-FUHWJXTLSA-N 0 0 340.427 1.988 10 0 EDAERN O=C(N[C@H](CCCO)c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000155355520 442390452 /nfs/dbraw/zinc/39/04/52/442390452.db2.gz HSFDDZXGJDCOTK-LSDHHAIUSA-N 0 0 329.404 1.406 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000171966830 442394400 /nfs/dbraw/zinc/39/44/00/442394400.db2.gz DQPZZAKEDTVCQA-IUODEOHRSA-N 0 0 344.415 1.466 10 0 EDAERN Cn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)ccc1=O ZINC000171993202 442396534 /nfs/dbraw/zinc/39/65/34/442396534.db2.gz OCKYRUDHUOHGJB-MAUKXSAKSA-N 0 0 339.395 1.934 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(F)c1 ZINC000155472690 442400804 /nfs/dbraw/zinc/40/08/04/442400804.db2.gz PTCUGKDRWCNYSK-CYBMUJFWSA-N 0 0 333.367 1.898 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCC1(O)CCCC1)C(C)C ZINC000172027328 442400850 /nfs/dbraw/zinc/40/08/50/442400850.db2.gz DSUSZLOEGPQPJK-INIZCTEOSA-N 0 0 348.443 1.871 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](C)Cn1ccnc1C)CC2 ZINC000172023400 442401070 /nfs/dbraw/zinc/40/10/70/442401070.db2.gz KUZYMJOSOGEEHQ-OCCSQVGLSA-N 0 0 345.451 1.296 10 0 EDAERN Nc1cc(C(=O)N2CCCN(c3cccnn3)CC2)cc(Cl)n1 ZINC000171555312 442357052 /nfs/dbraw/zinc/35/70/52/442357052.db2.gz TWNYAAXYEBCDDQ-UHFFFAOYSA-N 0 0 332.795 1.460 10 0 EDAERN CCc1noc([C@H](C)N2CCN([C@@H](C)C(=O)N[C@@H](C)CC)CC2)n1 ZINC000171591393 442359615 /nfs/dbraw/zinc/35/96/15/442359615.db2.gz PKZFFNOFWQVKRT-IHRRRGAJSA-N 0 0 337.468 1.614 10 0 EDAERN O=C(CN1CCCCCCC1=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178307169 442423021 /nfs/dbraw/zinc/42/30/21/442423021.db2.gz ZAASOEMATZNAJK-MRXNPFEDSA-N 0 0 331.416 1.854 10 0 EDAERN COC(=O)CCCNC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000172114959 442410720 /nfs/dbraw/zinc/41/07/20/442410720.db2.gz ZSXPYBHDBVYBRF-CQSZACIVSA-N 0 0 337.424 1.270 10 0 EDAERN CCCC[C@H](COC)NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000133331987 442412907 /nfs/dbraw/zinc/41/29/07/442412907.db2.gz RQZXBISQCCXJEK-HZPDHXFCSA-N 0 0 338.452 1.807 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000155623309 442414186 /nfs/dbraw/zinc/41/41/86/442414186.db2.gz ZAORWTIKBNMXBJ-NSHDSACASA-N 0 0 328.727 1.582 10 0 EDAERN C[C@@H](CNC(=O)Nc1cccc(OCC(F)F)n1)N1CCOCC1 ZINC000133611266 442426369 /nfs/dbraw/zinc/42/63/69/442426369.db2.gz NBUUOAUVQPOOHO-NSHDSACASA-N 0 0 344.362 1.568 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cc[nH]c(=O)c3)CC2)cn1 ZINC000155796705 442428084 /nfs/dbraw/zinc/42/80/84/442428084.db2.gz QXFNBWJLRMUILG-UHFFFAOYSA-N 0 0 343.431 1.330 10 0 EDAERN COCCN1CCN(C(=O)Nc2cc(C(N)=O)ccc2F)C[C@@H]1C ZINC000172313874 442442733 /nfs/dbraw/zinc/44/27/33/442442733.db2.gz NAVDUQBZOWLKHO-NSHDSACASA-N 0 0 338.383 1.109 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(C)c(OC)c1)CC2 ZINC000172314334 442443028 /nfs/dbraw/zinc/44/30/28/442443028.db2.gz SDQGPBYYKFMOBE-AWEZNQCLSA-N 0 0 343.431 1.972 10 0 EDAERN O=C(CCCCN1CCOCC1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000172321597 442444041 /nfs/dbraw/zinc/44/40/41/442444041.db2.gz JBRZJVCGIMXCMR-INIZCTEOSA-N 0 0 347.463 1.064 10 0 EDAERN CCNC(=O)CCCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172387891 442453504 /nfs/dbraw/zinc/45/35/04/442453504.db2.gz CHBZUYJVUOLYCO-UHFFFAOYSA-N 0 0 344.415 1.783 10 0 EDAERN CCOc1cc(NC2CCN(C(=O)C[C@@H](O)C(C)C)CC2)ncn1 ZINC000186209827 442486860 /nfs/dbraw/zinc/48/68/60/442486860.db2.gz ZPIMPUJTSYAPDA-CQSZACIVSA-N 0 0 336.436 1.685 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)cn1 ZINC000191783133 442510078 /nfs/dbraw/zinc/51/00/78/442510078.db2.gz UJGVJLDYPAZSSE-IRXDYDNUSA-N 0 0 327.384 1.807 10 0 EDAERN CCc1nnc(CN2CCC[C@@H](c3nnc4ccccn43)C2)n1C ZINC000172556688 442490136 /nfs/dbraw/zinc/49/01/36/442490136.db2.gz BNOHGHHNWVTHRV-CYBMUJFWSA-N 0 0 325.420 1.800 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@@H](O)c3cccc(OC)c3)CCO2)cn1 ZINC000191711333 442495733 /nfs/dbraw/zinc/49/57/33/442495733.db2.gz UFQZOTRDXLOPIJ-IRXDYDNUSA-N 0 0 345.399 1.545 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CNC(=O)CC(C)(C)C)CCO2)cn1 ZINC000191717563 442496159 /nfs/dbraw/zinc/49/61/59/442496159.db2.gz NXCIXANTQXMDQR-CQSZACIVSA-N 0 0 336.436 1.355 10 0 EDAERN CC[C@H](CCO)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172597448 442499496 /nfs/dbraw/zinc/49/94/96/442499496.db2.gz UFSQEHPRCUTNJW-WCQYABFASA-N 0 0 328.434 1.611 10 0 EDAERN CCOC1CC(CCNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000191726536 442499613 /nfs/dbraw/zinc/49/96/13/442499613.db2.gz YVKVCDLZOONJJZ-RDHHWEPZSA-N 0 0 339.480 1.554 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000179785820 442503618 /nfs/dbraw/zinc/50/36/18/442503618.db2.gz BXGGRABTDPSLAB-RHSMWYFYSA-N 0 0 341.411 1.916 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)NC1CCN(CC(F)(F)F)CC1 ZINC000172613773 442504389 /nfs/dbraw/zinc/50/43/89/442504389.db2.gz JTHFSIHVTSFFHF-AAEUAGOBSA-N 0 0 337.386 1.863 10 0 EDAERN CC(C)Cn1ncc(C(=O)N2CCCNC(=O)[C@H]2C)c1C(F)F ZINC000191769511 442507978 /nfs/dbraw/zinc/50/79/78/442507978.db2.gz SWIAKRQTTDAQFT-SNVBAGLBSA-N 0 0 328.363 1.827 10 0 EDAERN COc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCC[C@@H]3O)c2C)cc1 ZINC000172628740 442509040 /nfs/dbraw/zinc/50/90/40/442509040.db2.gz HWYAWGXWFNWWQJ-BBRMVZONSA-N 0 0 344.415 1.865 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cccnc3C(F)(F)F)CCO2)[nH]1 ZINC000179514072 442470499 /nfs/dbraw/zinc/47/04/99/442470499.db2.gz MTUVIVWEOTYLQX-SNVBAGLBSA-N 0 0 341.293 1.741 10 0 EDAERN C[C@@H](CNC(=O)NCC[C@@](C)(O)c1ccccc1)N1CCOCC1 ZINC000186164769 442475408 /nfs/dbraw/zinc/47/54/08/442475408.db2.gz NEMLOJHWYDGYOR-MAUKXSAKSA-N 0 0 335.448 1.304 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CC(C)(C)C ZINC000172529942 442482266 /nfs/dbraw/zinc/48/22/66/442482266.db2.gz MXUWAKZLAMUCDM-OLZOCXBDSA-N 0 0 334.482 1.104 10 0 EDAERN O=C(c1cc2ccccc2[nH]c1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172753980 442535290 /nfs/dbraw/zinc/53/52/90/442535290.db2.gz AQMWCDJKOZZTOK-AWEZNQCLSA-N 0 0 327.384 1.075 10 0 EDAERN CCOc1ccccc1CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172754493 442535315 /nfs/dbraw/zinc/53/53/15/442535315.db2.gz DQKHVCMICNBWRE-QGZVFWFLSA-N 0 0 332.444 1.951 10 0 EDAERN CCn1nnnc1-c1cccc(NC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178950046 442535515 /nfs/dbraw/zinc/53/55/15/442535515.db2.gz BWRYKMYHRXUVKZ-CYBMUJFWSA-N 0 0 345.407 1.252 10 0 EDAERN CC(C)(Oc1ccc(F)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172757106 442536067 /nfs/dbraw/zinc/53/60/67/442536067.db2.gz KPVGUJHKMVRWHC-OAHLLOKOSA-N 0 0 336.407 1.916 10 0 EDAERN Cc1nc(-c2c[nH]c(C(=O)N3CC[C@@H](N4CCOCC4)C3)c2)cs1 ZINC000172761300 442537046 /nfs/dbraw/zinc/53/70/46/442537046.db2.gz HAIUSJGEVLUPAL-CQSZACIVSA-N 0 0 346.456 1.993 10 0 EDAERN O=C(c1cc(=O)[nH]c2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172765632 442538150 /nfs/dbraw/zinc/53/81/50/442538150.db2.gz JIAJCWMSTHBLKE-CYBMUJFWSA-N 0 0 327.384 1.487 10 0 EDAERN O=C(c1cccnc1N1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172763416 442538308 /nfs/dbraw/zinc/53/83/08/442538308.db2.gz CEFBYWXTTXXNFB-MRXNPFEDSA-N 0 0 344.459 1.619 10 0 EDAERN O=C(NC1CN(C(=O)Nc2cccnc2N2CCCC2)C1)C1CCC1 ZINC000186477669 442542897 /nfs/dbraw/zinc/54/28/97/442542897.db2.gz CQJXQNFGNVELIR-UHFFFAOYSA-N 0 0 343.431 1.814 10 0 EDAERN O=C(N[C@H]1COc2ccccc21)N1CCC(Cn2cncn2)CC1 ZINC000186494092 442545808 /nfs/dbraw/zinc/54/58/08/442545808.db2.gz OBCWQBWBLKZRSU-HNNXBMFYSA-N 0 0 327.388 1.833 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000178889761 442515866 /nfs/dbraw/zinc/51/58/66/442515866.db2.gz JPYMHMSCBOJJGK-OAHLLOKOSA-N 0 0 325.453 1.580 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccncn2)ncn1 ZINC000191829697 442518868 /nfs/dbraw/zinc/51/88/68/442518868.db2.gz HFFZSKKPGOEMRK-CQSZACIVSA-N 0 0 341.419 1.026 10 0 EDAERN Cc1c(NC(=O)NC[C@H]2CN(C)CCO2)cnn1-c1ccccc1 ZINC000156867767 442527957 /nfs/dbraw/zinc/52/79/57/442527957.db2.gz YZZKTVHQZIOFHO-HNNXBMFYSA-N 0 0 329.404 1.633 10 0 EDAERN CCc1ccc(OCC(=O)N2CCC([N@H+](C)CC(=O)[O-])CC2)cc1 ZINC000186620709 442575726 /nfs/dbraw/zinc/57/57/26/442575726.db2.gz KJRISBSBOWTTJT-UHFFFAOYSA-N 0 0 334.416 1.635 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000192037760 442576788 /nfs/dbraw/zinc/57/67/88/442576788.db2.gz LGSHQQNXISADBM-GASCZTMLSA-N 0 0 326.462 1.557 10 0 EDAERN C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@@H](C(N)=O)O1 ZINC000157431405 442583747 /nfs/dbraw/zinc/58/37/47/442583747.db2.gz MNPCHCYZTBRMKO-DOMZBBRYSA-N 0 0 343.383 1.375 10 0 EDAERN CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000135379703 442588271 /nfs/dbraw/zinc/58/82/71/442588271.db2.gz JNJDGUCCQCCQQM-BBRMVZONSA-N 0 0 338.473 1.939 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000186692039 442593816 /nfs/dbraw/zinc/59/38/16/442593816.db2.gz GTODBYSFGJPNPP-GJZGRUSLSA-N 0 0 339.480 1.647 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc2scnc2c1)C(C)C ZINC000179079530 442567213 /nfs/dbraw/zinc/56/72/13/442567213.db2.gz OWSNLKXPLUALIR-GFCCVEGCSA-N 0 0 334.401 1.122 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Cc2cn3ccccc3n2)C12CCOCC2 ZINC000187114147 442653697 /nfs/dbraw/zinc/65/36/97/442653697.db2.gz DSXVNSIFWKIELT-HZPDHXFCSA-N 0 0 343.427 1.967 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cnn3c2CCCC3)C12CCOCC2 ZINC000187126215 442654541 /nfs/dbraw/zinc/65/45/41/442654541.db2.gz YHYMRXMWYOVNEJ-HZPDHXFCSA-N 0 0 333.432 1.923 10 0 EDAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000180495472 442611517 /nfs/dbraw/zinc/61/15/17/442611517.db2.gz JETDFJBLVWJURA-LLVKDONJSA-N 0 0 343.387 1.030 10 0 EDAERN CCCN(C(=O)N[C@@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000180498618 442612015 /nfs/dbraw/zinc/61/20/15/442612015.db2.gz NDSZVRVHNMHKFF-TZMCWYRMSA-N 0 0 338.429 1.729 10 0 EDAERN CC(C)[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nc(C2CC2)no1 ZINC000186885603 442625431 /nfs/dbraw/zinc/62/54/31/442625431.db2.gz MDTRTNSKHFUSMD-CYBMUJFWSA-N 0 0 347.419 1.564 10 0 EDAERN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000186893964 442627292 /nfs/dbraw/zinc/62/72/92/442627292.db2.gz SBCGAHJZNLLTMS-RLCCDNCMSA-N 0 0 330.384 1.936 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CC)C[C@H](O)C(F)(F)F ZINC000187510555 442679726 /nfs/dbraw/zinc/67/97/26/442679726.db2.gz RQONVPBHCUOMFA-UWVGGRQHSA-N 0 0 349.357 1.630 10 0 EDAERN COCCNC(=O)c1ccc(N2CCC[C@@H]2Cn2ccnc2C)nc1 ZINC000192740111 442682449 /nfs/dbraw/zinc/68/24/49/442682449.db2.gz VBOFTKQLJZBAIV-MRXNPFEDSA-N 0 0 343.431 1.632 10 0 EDAERN CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000187687695 442686611 /nfs/dbraw/zinc/68/66/11/442686611.db2.gz BRWUSZCGPFBEMQ-YNEHKIRRSA-N 0 0 330.400 1.971 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1ccc2ncsc2c1)N1CCOCC1 ZINC000193038579 442707450 /nfs/dbraw/zinc/70/74/50/442707450.db2.gz QBVRNGZSERZMGA-LLVKDONJSA-N 0 0 348.428 1.072 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000188044571 442704980 /nfs/dbraw/zinc/70/49/80/442704980.db2.gz QDIPADNQBVFSSU-UHFFFAOYSA-N 0 0 332.326 1.745 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000136405428 442662730 /nfs/dbraw/zinc/66/27/30/442662730.db2.gz OAPZNHDBIZCSPD-BBRMVZONSA-N 0 0 325.453 1.300 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1O ZINC000187313914 442669230 /nfs/dbraw/zinc/66/92/30/442669230.db2.gz UHUPSOLNTVPPNY-SJDLMVEWSA-N 0 0 332.400 1.347 10 0 EDAERN CCCC[C@H](COC)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000181792937 442716955 /nfs/dbraw/zinc/71/69/55/442716955.db2.gz RMMKVDHBIRUCCD-BZUAXINKSA-N 0 0 329.485 1.678 10 0 EDAERN CC[C@@H](NC(=O)N1CCN(C[C@@H](O)CC)CC1)c1nccs1 ZINC000181806596 442717691 /nfs/dbraw/zinc/71/76/91/442717691.db2.gz KCOHSVAVCLWLND-QWHCGFSZSA-N 0 0 326.466 1.692 10 0 EDAERN CCn1c(C)nnc1CN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000181915175 442721414 /nfs/dbraw/zinc/72/14/14/442721414.db2.gz IBIGGWGMVQTADB-NSHDSACASA-N 0 0 337.449 1.365 10 0 EDAERN Cc1cccc(N2CCN(C(=O)NCC(=O)NCC3CC3)CC2)c1 ZINC000182031378 442729883 /nfs/dbraw/zinc/72/98/83/442729883.db2.gz YNUIGXXYFLQSCT-UHFFFAOYSA-N 0 0 330.432 1.353 10 0 EDAERN O=C([C@H]1COCCN1C1CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000193312522 442731819 /nfs/dbraw/zinc/73/18/19/442731819.db2.gz ISKUZWSCTOYFDF-QGZVFWFLSA-N 0 0 332.448 1.759 10 0 EDAERN C[C@H](CNC(=O)c1cnn(CCC(F)(F)F)c1)N1CCOCC1 ZINC000182110249 442736516 /nfs/dbraw/zinc/73/65/16/442736516.db2.gz MVFWAWOXTCYJJE-LLVKDONJSA-N 0 0 334.342 1.286 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cnn1C1CCCC1 ZINC000193449385 442743415 /nfs/dbraw/zinc/74/34/15/442743415.db2.gz DQHCLVPBLINJLF-UKRRQHHQSA-N 0 0 348.447 1.912 10 0 EDAERN CCc1nnc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1C ZINC000193490089 442747917 /nfs/dbraw/zinc/74/79/17/442747917.db2.gz DDBWKYFAPULJFP-BETUJISGSA-N 0 0 335.452 1.676 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCNC(=O)NC1CCCCC1 ZINC000188089571 442709893 /nfs/dbraw/zinc/70/98/93/442709893.db2.gz DOQQFOZOAFSFDL-CYBMUJFWSA-N 0 0 338.452 1.136 10 0 EDAERN CCC(CC)[C@@H](O)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181732943 442713466 /nfs/dbraw/zinc/71/34/66/442713466.db2.gz UDLTVBSNTCOADD-KGLIPLIRSA-N 0 0 337.468 1.813 10 0 EDAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000246521728 442788554 /nfs/dbraw/zinc/78/85/54/442788554.db2.gz JAPYASMKBJERAF-FRRDWIJNSA-N 0 0 327.450 1.190 10 0 EDAERN CC(=O)N[C@H]1CCCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000193882046 442805553 /nfs/dbraw/zinc/80/55/53/442805553.db2.gz WDKXIEPPMWMHSJ-DOMZBBRYSA-N 0 0 332.404 1.324 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000188551217 442762731 /nfs/dbraw/zinc/76/27/31/442762731.db2.gz HJMLSYMENGWUOX-MRXNPFEDSA-N 0 0 345.443 1.956 10 0 EDAERN Cc1cc(COCC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)on1 ZINC000193659211 442764679 /nfs/dbraw/zinc/76/46/79/442764679.db2.gz ZRABPFYREFDLQH-CQSZACIVSA-N 0 0 345.403 1.417 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000193683635 442767244 /nfs/dbraw/zinc/76/72/44/442767244.db2.gz XMGBQUWCMCXWJN-NVXWUHKLSA-N 0 0 334.416 1.414 10 0 EDAERN C[C@@H]1CN(Cc2nnc(-c3ccccc3)n2C)C[C@H]1N1CCOCC1 ZINC000246432041 442781324 /nfs/dbraw/zinc/78/13/24/442781324.db2.gz LLIRETDOAADJAA-NVXWUHKLSA-N 0 0 341.459 1.635 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2sc(C)nc2C)C[C@H]1C ZINC000246453948 442783284 /nfs/dbraw/zinc/78/32/84/442783284.db2.gz JAIJVWLLIYRGEI-LLVKDONJSA-N 0 0 347.506 1.491 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC000247056391 442832595 /nfs/dbraw/zinc/83/25/95/442832595.db2.gz NUUICPKILXZAPI-KGLIPLIRSA-N 0 0 345.443 1.027 10 0 EDAERN O=C(c1nc2cccnc2s1)N1CCO[C@H](Cn2cccn2)C1 ZINC000193938229 442815428 /nfs/dbraw/zinc/81/54/28/442815428.db2.gz PXXOJEVPXYMSRG-NSHDSACASA-N 0 0 329.385 1.429 10 0 EDAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1ccnn1 ZINC000182732779 442815622 /nfs/dbraw/zinc/81/56/22/442815622.db2.gz QCWBQPDKAVGALO-GFCCVEGCSA-N 0 0 325.413 1.478 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cccc(Br)n2)C[C@@H]1C ZINC000182738302 442816822 /nfs/dbraw/zinc/81/68/22/442816822.db2.gz FELSXHOHQZAMOS-WDEREUQCSA-N 0 0 342.237 1.371 10 0 EDAERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCCNC(=O)[C@@H]3C)c2c1 ZINC000188833361 442823586 /nfs/dbraw/zinc/82/35/86/442823586.db2.gz NYJCJHHYZLSOJK-JTQLQIEISA-N 0 0 331.347 1.739 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1CC ZINC000247001776 442827276 /nfs/dbraw/zinc/82/72/76/442827276.db2.gz GRKODTINTYSNIJ-HZPDHXFCSA-N 0 0 347.525 1.396 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ncn(C)n3)cc2)C1 ZINC000183195028 442899585 /nfs/dbraw/zinc/89/95/85/442899585.db2.gz KZTIOHIKSJPURQ-OAHLLOKOSA-N 0 0 327.388 1.223 10 0 EDAERN C[C@@H]1C[C@H](C(=O)Nc2cnn(CC(=O)NCCO)c2)CC(C)(C)C1 ZINC000182989874 442860396 /nfs/dbraw/zinc/86/03/96/442860396.db2.gz ZJTDKBWERVGVDJ-OLZOCXBDSA-N 0 0 336.436 1.393 10 0 EDAERN CC(=O)Nc1ccc(C)c(C(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000189057963 442868816 /nfs/dbraw/zinc/86/88/16/442868816.db2.gz VWSSAGYKARQGQE-OAHLLOKOSA-N 0 0 344.371 1.859 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000189067881 442870455 /nfs/dbraw/zinc/87/04/55/442870455.db2.gz VLQNKAWUJJQLNN-XWTMOSNGSA-N 0 0 330.428 1.496 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(C3CCCC3)nn2C)c1 ZINC000183066632 442873629 /nfs/dbraw/zinc/87/36/29/442873629.db2.gz XRYKSLQDSPAXEX-UHFFFAOYSA-N 0 0 344.419 1.338 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1OCC1CC1 ZINC000189087955 442873869 /nfs/dbraw/zinc/87/38/69/442873869.db2.gz KTALALLUZYSOGF-HZPDHXFCSA-N 0 0 332.400 1.073 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1cnc2ccc(Br)cn12 ZINC000189097899 442877586 /nfs/dbraw/zinc/87/75/86/442877586.db2.gz CSXQFHRRQRPLLX-SNVBAGLBSA-N 0 0 337.221 1.807 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCC2 ZINC000189102206 442877975 /nfs/dbraw/zinc/87/79/75/442877975.db2.gz SHAGSWFMHOLCPW-FPCVCCKLSA-N 0 0 338.448 1.164 10 0 EDAERN CC(C)Oc1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000179072722 318453076 /nfs/dbraw/zinc/45/30/76/318453076.db2.gz PKUVLSNHSHIIMB-CQSZACIVSA-N 0 0 330.388 1.607 10 0 EDAERN C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000248417510 442890519 /nfs/dbraw/zinc/89/05/19/442890519.db2.gz RIMGNBNQKJKSFI-FQUUOJAGSA-N 0 0 326.437 1.909 10 0 EDAERN CC(C)c1nnc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)n1C ZINC000181798421 318490273 /nfs/dbraw/zinc/49/02/73/318490273.db2.gz ITWHYEMGIMEYPG-AWEZNQCLSA-N 0 0 336.461 1.814 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](CO)CC(C)C)C12CCOCC2 ZINC000248698093 442919158 /nfs/dbraw/zinc/91/91/58/442919158.db2.gz KDZOUGDLCVBBFP-RBSFLKMASA-N 0 0 328.453 1.667 10 0 EDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)o1 ZINC000194602226 442920765 /nfs/dbraw/zinc/92/07/65/442920765.db2.gz IYPGEMHDCVKDHO-LBPRGKRZSA-N 0 0 326.418 1.135 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)Cn2ccc(C)cc2=O)C1 ZINC000194606949 442921685 /nfs/dbraw/zinc/92/16/85/442921685.db2.gz KTJNXMNOXXGMAT-HNNXBMFYSA-N 0 0 328.416 1.779 10 0 EDAERN Cc1cccc(C)c1OCCNC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189328039 442922136 /nfs/dbraw/zinc/92/21/36/442922136.db2.gz XYXFANNIHYCKJP-OAHLLOKOSA-N 0 0 333.432 1.009 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H]1CN(C)CCO1)C(C)C ZINC000194617464 442924781 /nfs/dbraw/zinc/92/47/81/442924781.db2.gz SMZWTURSMQWHKJ-WBVHZDCISA-N 0 0 347.459 1.196 10 0 EDAERN CCCCOc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1OC ZINC000194633127 442927647 /nfs/dbraw/zinc/92/76/47/442927647.db2.gz AMZBEZKUIWFARE-HNNXBMFYSA-N 0 0 336.432 1.935 10 0 EDAERN CCc1nnc(CSc2nnnn2-c2ccc(OC)cc2)n1C ZINC000194662359 442934423 /nfs/dbraw/zinc/93/44/23/442934423.db2.gz PFYMZAHLKSKTDO-UHFFFAOYSA-N 0 0 331.405 1.654 10 0 EDAERN C[C@@H]1C(=O)N(C)CCN1C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000249191418 442959559 /nfs/dbraw/zinc/95/95/59/442959559.db2.gz AFDJSNBIBQFGGY-WPGHFRTFSA-N 0 0 347.390 1.034 10 0 EDAERN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCC(=O)NCC1CC1 ZINC000183798687 442965684 /nfs/dbraw/zinc/96/56/84/442965684.db2.gz IGAUIMSEGJXTOA-KBPBESRZSA-N 0 0 325.453 1.748 10 0 EDAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)o1 ZINC000249443027 442974911 /nfs/dbraw/zinc/97/49/11/442974911.db2.gz FQEVIGZCHODXFW-XQQFMLRXSA-N 0 0 328.434 1.273 10 0 EDAERN COc1ccc(CCNC(=O)[C@H]2CNC(=O)C2)cc1OC(F)F ZINC000195030438 442977288 /nfs/dbraw/zinc/97/72/88/442977288.db2.gz FDFVQXYNTJXFOW-SNVBAGLBSA-N 0 0 328.315 1.091 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1C[C@@H](O)C1(C)C)C(C)C ZINC000250067346 443010307 /nfs/dbraw/zinc/01/03/07/443010307.db2.gz NPVYDSSLVLRLNL-OAGGEKHMSA-N 0 0 348.443 1.725 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1ccc(Br)c(Cl)c1 ZINC000189805935 443014590 /nfs/dbraw/zinc/01/45/90/443014590.db2.gz CZIXMGPKHHVCTR-NSHDSACASA-N 0 0 333.613 1.789 10 0 EDAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000189835932 443018036 /nfs/dbraw/zinc/01/80/36/443018036.db2.gz UCFRRIMBSFWANL-UGSOOPFHSA-N 0 0 346.431 1.714 10 0 EDAERN CN(C)/C=C1\C(=O)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OC(C)(C)C ZINC000207585083 443048931 /nfs/dbraw/zinc/04/89/31/443048931.db2.gz PPZKPPCVXOWYLX-STRFDMGBSA-N 0 0 340.420 1.962 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000184445263 443022231 /nfs/dbraw/zinc/02/22/31/443022231.db2.gz OOIYCGNDSAWLAH-SUMWQHHRSA-N 0 0 336.480 1.585 10 0 EDAERN CCCCCS(=O)(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000184479126 443026585 /nfs/dbraw/zinc/02/65/85/443026585.db2.gz HEUJUVKNTADVTP-UHFFFAOYSA-N 0 0 342.509 1.931 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)Nc2nc3ccccn3n2)C12CCOCC2 ZINC000184615774 443049204 /nfs/dbraw/zinc/04/92/04/443049204.db2.gz VYEFLJGGUIFQNK-STQMWFEESA-N 0 0 345.403 1.825 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ncc(-c3ccccc3)cn2)C1 ZINC000184496427 443029174 /nfs/dbraw/zinc/02/91/74/443029174.db2.gz ZTOLPXMZOBTYNW-INIZCTEOSA-N 0 0 341.415 1.273 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N(C)Cc1cnn(C)c1 ZINC000249743963 443002954 /nfs/dbraw/zinc/00/29/54/443002954.db2.gz YXOIAOJHNHDRFK-PMPSAXMXSA-N 0 0 348.447 1.185 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000184861955 443087841 /nfs/dbraw/zinc/08/78/41/443087841.db2.gz HSBSGFJGUSGALT-MRXNPFEDSA-N 0 0 333.432 1.010 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC(C)(CO)CC1)CC2 ZINC000184905702 443095465 /nfs/dbraw/zinc/09/54/65/443095465.db2.gz IZXRQTNJIUDQPE-ZDUSSCGKSA-N 0 0 335.452 1.520 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCOc2cccc(C(C)(C)C)c2)C1 ZINC000190102365 443057688 /nfs/dbraw/zinc/05/76/88/443057688.db2.gz QBXZXSAPXATYAO-UHFFFAOYSA-N 0 0 333.432 1.893 10 0 EDAERN CC(=O)N[C@@H]1CN(Cc2cccc(Br)c2)C[C@H]1CO ZINC000253412402 443059016 /nfs/dbraw/zinc/05/90/16/443059016.db2.gz QXMVPFFZMSUOQE-GXTWGEPZSA-N 0 0 327.222 1.378 10 0 EDAERN CC[C@@H](NS(=O)(=O)c1ccc(-c2cc[nH]n2)o1)[C@H]1C[C@@H](O)C1 ZINC000219728262 443060519 /nfs/dbraw/zinc/06/05/19/443060519.db2.gz UTXVZXFVZRBIEF-GMTAPVOTSA-N 0 0 325.390 1.498 10 0 EDAERN COC(=O)[C@@H](CC1CCCCC1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000253424966 443065567 /nfs/dbraw/zinc/06/55/67/443065567.db2.gz ZPSHBRORVNQBNZ-LSDHHAIUSA-N 0 0 338.448 1.921 10 0 EDAERN Cc1cc(-n2c(C)cc(C(=O)CN3C[C@H](O)C[C@@H]3CO)c2C)no1 ZINC000184725787 443067856 /nfs/dbraw/zinc/06/78/56/443067856.db2.gz SKGYROXQKAKWJC-ZIAGYGMSSA-N 0 0 333.388 1.001 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCOCC(F)F)C2)no1 ZINC000190263140 443078628 /nfs/dbraw/zinc/07/86/28/443078628.db2.gz ISCURTVUKKHIPB-LLVKDONJSA-N 0 0 332.351 1.624 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000190291366 443081819 /nfs/dbraw/zinc/08/18/19/443081819.db2.gz XZAIAOHVBHJHIC-LLVKDONJSA-N 0 0 343.387 1.370 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 ZINC000184833331 443084283 /nfs/dbraw/zinc/08/42/83/443084283.db2.gz QHZJETRQHGJXFY-FUHWJXTLSA-N 0 0 348.491 1.609 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2ccccc2)C12CCOCC2 ZINC000185085656 443134053 /nfs/dbraw/zinc/13/40/53/443134053.db2.gz MMZGATRJNRKYJH-JKSUJKDBSA-N 0 0 346.427 1.507 10 0 EDAERN CN1CCSC[C@@H]1c1nsc(I)n1 ZINC000234334247 443138134 /nfs/dbraw/zinc/13/81/34/443138134.db2.gz XDSLRKXLYJKBHN-RXMQYKEDSA-N 0 0 327.216 1.862 10 0 EDAERN COCCOc1ccc(C(=O)N2CC(NC(C)=O)C2)c(Cl)c1 ZINC000190478891 443117142 /nfs/dbraw/zinc/11/71/42/443117142.db2.gz AGHZEDKGRIJNIB-UHFFFAOYSA-N 0 0 326.780 1.326 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000185217620 443163238 /nfs/dbraw/zinc/16/32/38/443163238.db2.gz KYDVIEYCPMLCGU-UHFFFAOYSA-N 0 0 349.412 1.227 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCc2cn(C)c3ccccc23)C1 ZINC000185267142 443173000 /nfs/dbraw/zinc/17/30/00/443173000.db2.gz CNZZVTQQPQGEGZ-UHFFFAOYSA-N 0 0 329.400 1.084 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000185274568 443174451 /nfs/dbraw/zinc/17/44/51/443174451.db2.gz JUUKQMJJMISKFW-UHFFFAOYSA-N 0 0 344.770 1.221 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000185297757 443178989 /nfs/dbraw/zinc/17/89/89/443178989.db2.gz XHRSAFIECLILAU-UHFFFAOYSA-N 0 0 343.383 1.248 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)NC(=O)NC3CCCC3)CCO2)cn1 ZINC000190783127 443183069 /nfs/dbraw/zinc/18/30/69/443183069.db2.gz RFTWHWWYZGLLMY-HNNXBMFYSA-N 0 0 349.435 1.045 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cnn(C)c2C)C12CCCC2 ZINC000190823190 443189742 /nfs/dbraw/zinc/18/97/42/443189742.db2.gz RCZHIPPYNSWJHR-GJZGRUSLSA-N 0 0 348.447 1.863 10 0 EDAERN CCO[C@H]1C[C@@H](NS(=O)(=O)N2CCCCCC2)C12CCOCC2 ZINC000185153538 443148995 /nfs/dbraw/zinc/14/89/95/443148995.db2.gz OWSDIUKUXMNZMY-CABCVRRESA-N 0 0 346.493 1.671 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000190624001 443151072 /nfs/dbraw/zinc/15/10/72/443151072.db2.gz HUQHEAVJVRCATH-WCQYABFASA-N 0 0 338.477 1.879 10 0 EDAERN C[C@H](NC(=O)NCc1nc(COc2ccccc2)n[nH]1)[C@H]1CCCO1 ZINC000185168096 443153249 /nfs/dbraw/zinc/15/32/49/443153249.db2.gz YAMGDFPTDARPRS-GXTWGEPZSA-N 0 0 345.403 1.750 10 0 EDAERN CO[C@@H](C)CNC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000190668960 443160198 /nfs/dbraw/zinc/16/01/98/443160198.db2.gz YFXGSWJJJSTEMK-GXTWGEPZSA-N 0 0 341.477 1.764 10 0 EDAERN CC(C)C(=O)Nc1ccc(CNC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000190994962 443221495 /nfs/dbraw/zinc/22/14/95/443221495.db2.gz RBJSZLOPMNCKHP-ZDUSSCGKSA-N 0 0 346.431 1.701 10 0 EDAERN COCCCCS(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000185718619 443244514 /nfs/dbraw/zinc/24/45/14/443244514.db2.gz YIOIXOFVMHXCFM-LBPRGKRZSA-N 0 0 330.454 1.062 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2cscn2)C12CCOCC2 ZINC000185640989 443232137 /nfs/dbraw/zinc/23/21/37/443232137.db2.gz YIZQGZFLNGFKBT-CHWSQXEVSA-N 0 0 325.434 1.917 10 0 EDAERN COCC(=O)NC1CN(C(=O)NC[C@H](C)Cc2cccs2)C1 ZINC000185528850 443214439 /nfs/dbraw/zinc/21/44/39/443214439.db2.gz CMFDOGYZRBWJOG-LLVKDONJSA-N 0 0 325.434 1.083 10 0 EDAERN Cc1cc(C)c(N2CC[C@@H]([NH2+]C[C@@H]3CN(C)CCO3)C2=O)c(C)c1 ZINC000190965839 443215854 /nfs/dbraw/zinc/21/58/54/443215854.db2.gz JQVCPASWYBWSGC-IAGOWNOFSA-N 0 0 331.460 1.637 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)Oc2cccc(CO)c2)C[C@@H]1C ZINC000245896439 443255669 /nfs/dbraw/zinc/25/56/69/443255669.db2.gz SNWAJJHOWONVDG-GJZGRUSLSA-N 0 0 336.432 1.125 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3n[nH]cc3C2)C12CCOCC2 ZINC000185869214 443272276 /nfs/dbraw/zinc/27/22/76/443272276.db2.gz YQALPXRKPLGTHY-VNQPRFMTSA-N 0 0 348.447 1.540 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1)C(C)C ZINC000246175852 443275807 /nfs/dbraw/zinc/27/58/07/443275807.db2.gz ILIKSJHDXWLXDS-OIISXLGYSA-N 0 0 345.443 1.483 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000246220523 443280835 /nfs/dbraw/zinc/28/08/35/443280835.db2.gz ZMCGCLRTTSBXJG-VGTRVLQQSA-N 0 0 341.481 1.586 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C(=O)NC)C(C)C)C12CCCC2 ZINC000246240990 443282380 /nfs/dbraw/zinc/28/23/80/443282380.db2.gz SXXUDVGZIGPLPY-MGPQQGTHSA-N 0 0 325.453 1.794 10 0 EDAERN CCCCOc1cc(OC)ccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000185924771 443283991 /nfs/dbraw/zinc/28/39/91/443283991.db2.gz RTSROVIMHHMJBT-HNNXBMFYSA-N 0 0 336.432 1.935 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000185936286 443287027 /nfs/dbraw/zinc/28/70/27/443287027.db2.gz HOQRICDXHGAMQY-CJNGLKHVSA-N 0 0 341.415 1.264 10 0 EDAERN CCSCc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000185936417 443287098 /nfs/dbraw/zinc/28/70/98/443287098.db2.gz LUCCTOITRWHPMD-WFASDCNBSA-N 0 0 339.461 1.720 10 0 EDAERN CCCNC(=O)c1cccc(CNC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000191244026 443265518 /nfs/dbraw/zinc/26/55/18/443265518.db2.gz JVDJNIVWBRECMJ-CYBMUJFWSA-N 0 0 346.431 1.246 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)/C=C\c3cncc(O)c3)C2)no1 ZINC000492478791 320380439 /nfs/dbraw/zinc/38/04/39/320380439.db2.gz YDSVRVXTZLZNGZ-ZRUQZJFASA-N 0 0 328.372 1.973 10 0 EDAERN C[NH+](C)C[C@@H](O)C[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000310032060 444290938 /nfs/dbraw/zinc/29/09/38/444290938.db2.gz YCHRYRCYLJSKRD-BLLLJJGKSA-N 0 0 330.425 1.401 10 0 EDAERN CC(=O)N1CCCC[C@H]1c1ccc(C(=O)N(C)[C@@H]2CCOC2)n1C ZINC000328637765 444407291 /nfs/dbraw/zinc/40/72/91/444407291.db2.gz OUAODOKDYFWHRV-ZBFHGGJFSA-N 0 0 333.432 1.960 10 0 EDAERN O=C(C=Cc1ccc2c(c1)OCCO2)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000375324332 446721071 /nfs/dbraw/zinc/72/10/71/446721071.db2.gz QVVRRJFBTXMYFQ-CXLRFSCWSA-N 0 0 342.355 1.189 10 0 EDAERN CCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3ccnn3C)C2)o1 ZINC000371336651 446786969 /nfs/dbraw/zinc/78/69/69/446786969.db2.gz QDKLFHSBBBGUPW-OAHLLOKOSA-N 0 0 331.420 1.594 10 0 EDAERN O=S(=O)(N[C@H]1C[C@H](c2ccc(F)c(Cl)c2)C1)N1CCOCC1 ZINC000575603114 447866206 /nfs/dbraw/zinc/86/62/06/447866206.db2.gz AGMPHZHDUPRDFA-HAQNSBGRSA-N 0 0 348.827 1.892 10 0 EDAERN COc1cc(I)cc(F)c1S(N)(=O)=O ZINC000575705431 447881401 /nfs/dbraw/zinc/88/14/01/447881401.db2.gz LVWVMVFFSOBYGJ-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN CSc1cc(S(N)(=O)=O)c(I)cc1C ZINC000575707983 447882560 /nfs/dbraw/zinc/88/25/60/447882560.db2.gz CWMURMHGBLLMJG-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN CC(C)n1cnc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000583616264 448442422 /nfs/dbraw/zinc/44/24/22/448442422.db2.gz ARAIVNVKJSFVPZ-MCIONIFRSA-N 0 0 343.449 1.015 10 0 EDAERN O=C(CCc1ccc(Cl)cc1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617756 448445061 /nfs/dbraw/zinc/44/50/61/448445061.db2.gz OFFSETMJWVYNOU-MRXNPFEDSA-N 0 0 334.807 1.901 10 0 EDAERN COc1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)cc(C)n1 ZINC000583618370 448446548 /nfs/dbraw/zinc/44/65/48/448446548.db2.gz QLTSXUXNUYOIAI-QGZVFWFLSA-N 0 0 345.403 1.305 10 0 EDAERN O=C(N1CCC[C@@](O)(c2cn[nH]n2)C1)C1(Cc2ccccc2)CC1 ZINC000583619004 448448611 /nfs/dbraw/zinc/44/86/11/448448611.db2.gz SRMOLCVHOIYDGB-SFHVURJKSA-N 0 0 326.400 1.638 10 0 EDAERN Cc1nc(C(=O)N[C@H]2CC[C@@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1C ZINC000583619698 448449672 /nfs/dbraw/zinc/44/96/72/448449672.db2.gz KVRLKFXONSZQAU-UWVGGRQHSA-N 0 0 332.326 1.142 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1=O ZINC000583621246 448452343 /nfs/dbraw/zinc/45/23/43/448452343.db2.gz DQIULSKYFXSWDC-BBRMVZONSA-N 0 0 348.349 1.769 10 0 EDAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)[C@H]2C[C@H]2c2cccnc2)C1 ZINC000583622827 448453567 /nfs/dbraw/zinc/45/35/67/448453567.db2.gz BJFUWMGILVGJQP-GQGLESIBSA-N 0 0 343.427 1.629 10 0 EDAERN CC1(C)OC(=O)C(=C(N)Nc2ccc(Br)cc2)C(=O)O1 ZINC000584662284 448589942 /nfs/dbraw/zinc/58/99/42/448589942.db2.gz UHOAETYMFYCLMK-UHFFFAOYSA-N 0 0 341.161 1.867 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C(=O)OC(C)(C)C ZINC000584654525 448590089 /nfs/dbraw/zinc/59/00/89/448590089.db2.gz ZOLCSGKZBVSYJT-OLZOCXBDSA-N 0 0 349.387 1.362 10 0 EDAERN CC(C)c1nsc(N2CC[C@H](Nc3ccc4nccn4n3)C2)n1 ZINC000547694732 448916076 /nfs/dbraw/zinc/91/60/76/448916076.db2.gz KWHIMXBIWKWLAI-NSHDSACASA-N 0 0 329.433 2.395 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1Cc2nc(Br)sc2C(=O)N1 ZINC000606241703 449450270 /nfs/dbraw/zinc/45/02/70/449450270.db2.gz FXHVUHGGBDXHNW-LURJTMIESA-N 0 0 333.207 1.902 10 0 EDAERN CN1C[C@@H](CNC(=O)c2ccc(Br)cc2O)CC1=O ZINC000619002671 450372333 /nfs/dbraw/zinc/37/23/33/450372333.db2.gz YLVLXUVJVAOBDY-MRVPVSSYSA-N 0 0 327.178 1.363 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616635495 450456033 /nfs/dbraw/zinc/45/60/33/450456033.db2.gz AFLAZLBGEDTQCV-OAHLLOKOSA-N 0 0 349.431 1.856 10 0 EDAERN COc1nsc(CN[C@H]2CCC(=O)N[C@H]2C)c1Br ZINC000639137413 451775046 /nfs/dbraw/zinc/77/50/46/451775046.db2.gz YRQPZQCOYALGCB-BQBZGAKWSA-N 0 0 334.239 1.671 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000658275028 452824974 /nfs/dbraw/zinc/82/49/74/452824974.db2.gz FRDCSAWFQOGSBV-HRCADAONSA-N 0 0 338.415 1.995 10 0 EDAERN O=S(=O)(NC1CC(CO)C1)c1ccc(Br)s1 ZINC000660147308 453078478 /nfs/dbraw/zinc/07/84/78/453078478.db2.gz BPQPKFCFBSFZPQ-UHFFFAOYSA-N 0 0 326.237 1.560 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)NCCc1ccc2ccccc2n1 ZINC000644330634 453309812 /nfs/dbraw/zinc/30/98/12/453309812.db2.gz HJMMKSYNAKIVKF-QGZVFWFLSA-N 0 0 341.411 1.267 10 0 EDAERN Nc1cccnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1CC(=O)[O-] ZINC000203538980 486846165 /nfs/dbraw/zinc/84/61/65/486846165.db2.gz KTNAUCNDLZLOCB-OAHLLOKOSA-N 0 0 326.400 1.829 10 0 EDAERN CCNC(=O)[C@@H]1C[C@@H](c2ccc(OC)c(OC)c2)CN(C(C)=O)C1 ZINC000034709272 487162666 /nfs/dbraw/zinc/16/26/66/487162666.db2.gz YZMGKEPQSVYNHI-HUUCEWRRSA-N 0 0 334.416 1.792 10 0 EDAERN Cc1cc(C)n(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000053176964 487405059 /nfs/dbraw/zinc/40/50/59/487405059.db2.gz YLWBZROMIUMJPO-CYBMUJFWSA-N 0 0 335.429 1.781 10 0 EDAERN CN(C(=O)[C@@H]1CCCO[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000249705973 486119648 /nfs/dbraw/zinc/11/96/48/486119648.db2.gz NYUZEWYCIIAXHS-XHSDSOJGSA-N 0 0 337.441 1.800 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000142816640 486246646 /nfs/dbraw/zinc/24/66/46/486246646.db2.gz WEYDTDOBDQKTLG-LLVKDONJSA-N 0 0 329.356 1.673 10 0 EDAERN C[C@@H](C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1C(=O)c2ccccc2C1=O ZINC000170191797 486467406 /nfs/dbraw/zinc/46/74/06/486467406.db2.gz AEIVUPVKBQCFID-CMPLNLGQSA-N 0 0 338.367 1.068 10 0 EDAERN O[C@]1(Cn2ccnn2)CCN(c2cncc(OCC3CCCC3)n2)C1 ZINC000671466636 486550056 /nfs/dbraw/zinc/55/00/56/486550056.db2.gz OAFALZFKQZUOMQ-QGZVFWFLSA-N 0 0 344.419 1.279 10 0 EDAERN C[C@H](NC(=O)C[C@@H]1c2ccccc2NC1=O)c1nnc2n1CCCC2 ZINC000135266620 491228822 /nfs/dbraw/zinc/22/88/22/491228822.db2.gz WIZMZAOSUKLVKH-WCQYABFASA-N 0 0 339.399 1.918 10 0 EDAERN COCc1cc(CNC(=O)NC[C@@H](C)N2CCOCC2)ccc1F ZINC000171654203 500821983 /nfs/dbraw/zinc/82/19/83/500821983.db2.gz MFAALWJPLBHAIF-CYBMUJFWSA-N 0 0 339.411 1.492 10 0 EDAERN COC(=O)c1cc(CN(C)C(=O)N[C@H]2CCCn3ncnc32)oc1C ZINC000177322173 533773720 /nfs/dbraw/zinc/77/37/20/533773720.db2.gz DRCHSMNOPGESEA-ZDUSSCGKSA-N 0 0 347.375 1.643 10 0 EDAERN Cc1c(CNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cnn1C ZINC000179360684 533851268 /nfs/dbraw/zinc/85/12/68/533851268.db2.gz KTAIZTVQVKDTFB-OAHLLOKOSA-N 0 0 343.435 1.329 10 0 EDAERN C[C@H]1CN(C(=O)Nc2ccc(-c3ncon3)cc2)CCS1(=O)=O ZINC000153442482 533861898 /nfs/dbraw/zinc/86/18/98/533861898.db2.gz TWAMFUDZCRKOHY-JTQLQIEISA-N 0 0 336.373 1.387 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000183962935 533963167 /nfs/dbraw/zinc/96/31/67/533963167.db2.gz JFOSQVVNKKKRMC-UKRRQHHQSA-N 0 0 332.400 1.057 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)CC(C)=O)C(C)C ZINC000129380295 533975453 /nfs/dbraw/zinc/97/54/53/533975453.db2.gz FPGNXMOQHHARTD-WBMJQRKESA-N 0 0 334.416 1.933 10 0 EDAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000173166077 534057618 /nfs/dbraw/zinc/05/76/18/534057618.db2.gz AZFFSVNKLPSZOZ-CABCVRRESA-N 0 0 333.432 1.902 10 0 EDAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000158760359 534147850 /nfs/dbraw/zinc/14/78/50/534147850.db2.gz KSZOIFJMFKWPHI-YUMQZZPRSA-N 0 0 332.809 1.130 10 0 EDAERN C[C@](O)(CC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000182425611 534158272 /nfs/dbraw/zinc/15/82/72/534158272.db2.gz XRDYPGMQMXCVJZ-AEFFLSMTSA-N 0 0 329.400 1.408 10 0 EDAERN COC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000190190558 534216876 /nfs/dbraw/zinc/21/68/76/534216876.db2.gz YPBUNWCLUPQOLG-SNVBAGLBSA-N 0 0 349.778 1.855 10 0 EDAERN Cc1ccc(Br)c(C(=O)N2CCO[C@@H](C(N)=S)C2)c1 ZINC000169014957 534254087 /nfs/dbraw/zinc/25/40/87/534254087.db2.gz NKSRHGLEEIYPKU-LLVKDONJSA-N 0 0 343.246 1.885 10 0 EDAERN COC(=O)c1coc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187737321 534313651 /nfs/dbraw/zinc/31/36/51/534313651.db2.gz SSLASLQILIWVND-STQMWFEESA-N 0 0 335.381 1.976 10 0 EDAERN C[C@@H]1CN(C(=O)c2c(Cl)nc3ccccn32)C[C@H]1N1CCOCC1 ZINC000173964556 534393157 /nfs/dbraw/zinc/39/31/57/534393157.db2.gz FICKBYQMMPDHRE-CHWSQXEVSA-N 0 0 348.834 1.780 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3)C2)no1 ZINC000171336088 534404704 /nfs/dbraw/zinc/40/47/04/534404704.db2.gz RBPHBYIZSLTDSM-ZDUSSCGKSA-N 0 0 328.372 1.798 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@@H]1N1CCOCC1 ZINC000173869790 534408197 /nfs/dbraw/zinc/40/81/97/534408197.db2.gz WVNUHTQBIVJULJ-CJNGLKHVSA-N 0 0 342.395 1.586 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(CC(=O)Nc3c(C)n[nH]c3C)C2)no1 ZINC000171503772 534410490 /nfs/dbraw/zinc/41/04/90/534410490.db2.gz UWMPBJPCSFQRED-ZDUSSCGKSA-N 0 0 332.408 1.611 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000151140964 534729399 /nfs/dbraw/zinc/72/93/99/534729399.db2.gz PTLLKECTUYUYIT-IUODEOHRSA-N 0 0 345.374 1.653 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000173743408 534781120 /nfs/dbraw/zinc/78/11/20/534781120.db2.gz SYQRLZBKJSMJIN-NSHDSACASA-N 0 0 343.840 1.432 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000172607760 526420169 /nfs/dbraw/zinc/42/01/69/526420169.db2.gz BECYHDKVJVFNAJ-WCQYABFASA-N 0 0 334.420 1.640 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCCn1cccn1 ZINC000189822465 526426444 /nfs/dbraw/zinc/42/64/44/526426444.db2.gz FKHMRVPRWCVHOK-QWHCGFSZSA-N 0 0 340.399 1.737 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000131223919 526474699 /nfs/dbraw/zinc/47/46/99/526474699.db2.gz QZLCTHOQZNEHRQ-CHWSQXEVSA-N 0 0 335.404 1.798 10 0 EDAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000131277236 526595372 /nfs/dbraw/zinc/59/53/72/526595372.db2.gz WCLKZHJTWRIURZ-JTQLQIEISA-N 0 0 332.447 1.256 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)C1 ZINC000190285684 526708648 /nfs/dbraw/zinc/70/86/48/526708648.db2.gz JTJIRMGCNLPLJY-INIZCTEOSA-N 0 0 333.432 1.319 10 0 EDAERN CC(C)CCNC(=O)Cn1cnc(Cl)c(Br)c1=O ZINC000164875644 527731350 /nfs/dbraw/zinc/73/13/50/527731350.db2.gz GMJABPMNWQZGBN-UHFFFAOYSA-N 0 0 336.617 1.822 10 0 EDAERN CC(C)[C@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168901300 527753531 /nfs/dbraw/zinc/75/35/31/527753531.db2.gz VLBBELSNFXZVHF-LBPRGKRZSA-N 0 0 326.194 1.327 10 0 EDAERN CCOC(=O)[C@@H](c1ccccc1)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173661176 527816291 /nfs/dbraw/zinc/81/62/91/527816291.db2.gz OJCUVBCARYJWHV-LSDHHAIUSA-N 0 0 330.388 1.791 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCc2nccs2)C12CCOCC2 ZINC000185596320 528137120 /nfs/dbraw/zinc/13/71/20/528137120.db2.gz NUIQPBPNCYTZNI-RYUDHWBXSA-N 0 0 325.434 1.917 10 0 EDAERN CCC[C@H](O)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000158675713 528260630 /nfs/dbraw/zinc/26/06/30/528260630.db2.gz INKMSDJSOJUBEJ-VIFPVBQESA-N 0 0 332.809 1.274 10 0 EDAERN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COCCOC ZINC000170498786 528310566 /nfs/dbraw/zinc/31/05/66/528310566.db2.gz JAAJCVCLFTWZAN-UHFFFAOYSA-N 0 0 347.371 1.651 10 0 EDAERN CCOC(C)(C)CNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187722148 528412695 /nfs/dbraw/zinc/41/26/95/528412695.db2.gz CWZKPLQENOSMEC-KRWDZBQOSA-N 0 0 349.475 1.862 10 0 EDAERN CCNc1nc(-n2cc(Br)cn2)nc(N2CCCC2)n1 ZINC000157751474 528437441 /nfs/dbraw/zinc/43/74/41/528437441.db2.gz UTNQTUKAQXBSJW-UHFFFAOYSA-N 0 0 338.213 1.852 10 0 EDAERN CCNc1ncc(C(=O)N2CCN(CCOC)[C@@H](CC)C2)s1 ZINC000129051349 528444707 /nfs/dbraw/zinc/44/47/07/528444707.db2.gz SJSXJPCPIDKLKT-LBPRGKRZSA-N 0 0 326.466 1.758 10 0 EDAERN CCCNC(=O)c1cccc(CNC(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000155903858 528461039 /nfs/dbraw/zinc/46/10/39/528461039.db2.gz MJJRGDYUBYGCGS-HNNXBMFYSA-N 0 0 346.431 1.246 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCn1c(C)nc2ccccc21 ZINC000184194603 528477970 /nfs/dbraw/zinc/47/79/70/528477970.db2.gz QZMLMTJMRCRNRY-GOSISDBHSA-N 0 0 344.459 1.962 10 0 EDAERN CC(C)[C@@H](O)CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000178874337 528617233 /nfs/dbraw/zinc/61/72/33/528617233.db2.gz RPWVJCSKLSGOKC-AWEZNQCLSA-N 0 0 326.418 1.572 10 0 EDAERN CCOC(=O)CC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000177971949 528651194 /nfs/dbraw/zinc/65/11/94/528651194.db2.gz KAPQLOXMDCFRSG-CYBMUJFWSA-N 0 0 340.445 1.499 10 0 EDAERN CC(C)n1nnnc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O ZINC000174024553 528699389 /nfs/dbraw/zinc/69/93/89/528699389.db2.gz OVYSCEYZYDEGCI-GFCCVEGCSA-N 0 0 331.351 1.511 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)Cc1ccn(-c2ccccc2)n1 ZINC000176508719 528703480 /nfs/dbraw/zinc/70/34/80/528703480.db2.gz UYWFQPYWVRIKNS-HSZRJFAPSA-N 0 0 330.417 1.889 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000176562588 528703840 /nfs/dbraw/zinc/70/38/40/528703840.db2.gz GMFPWHVPMIHGRN-RULNZOCKSA-N 0 0 339.465 1.292 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)CCc1nnc[nH]1)c1ccccc1C ZINC000177246388 528871141 /nfs/dbraw/zinc/87/11/41/528871141.db2.gz LCUGNGCWFSTOHJ-CQSZACIVSA-N 0 0 330.388 1.856 10 0 EDAERN CC[C@H]1NC(=O)[C@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168888201 529330928 /nfs/dbraw/zinc/33/09/28/529330928.db2.gz ZSCWQVSFEVADDR-GZMMTYOYSA-N 0 0 326.194 1.470 10 0 EDAERN CCCCn1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C)n1 ZINC000185936231 535142086 /nfs/dbraw/zinc/14/20/86/535142086.db2.gz ZZNNIQSKYAJFDY-YOEHRIQHSA-N 0 0 334.464 1.784 10 0 EDAERN CC(C)n1nnnc1CNc1cccc(C(=O)N2CCOCC2)c1 ZINC000194996686 535170741 /nfs/dbraw/zinc/17/07/41/535170741.db2.gz LFZUOTVUUURXIZ-UHFFFAOYSA-N 0 0 330.392 1.339 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)c2cnn(CC)c2)C12CCOCC2 ZINC000187147293 535458534 /nfs/dbraw/zinc/45/85/34/535458534.db2.gz JYVNVZHPTORUIQ-UONOGXRCSA-N 0 0 335.404 1.176 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C12CCC2 ZINC000246561371 535489953 /nfs/dbraw/zinc/48/99/53/535489953.db2.gz DLUCAHZJTXLSIM-HRCADAONSA-N 0 0 345.443 1.730 10 0 EDAERN CCOCCCCNC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000192371472 535507075 /nfs/dbraw/zinc/50/70/75/535507075.db2.gz JRFXTIZREPHYEN-QWHCGFSZSA-N 0 0 326.397 1.666 10 0 EDAERN CCOc1ncccc1CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114924925 535596337 /nfs/dbraw/zinc/59/63/37/535596337.db2.gz GFRDHRVTCURCKS-CYBMUJFWSA-N 0 0 344.419 1.448 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)Nc2nccs2)C[C@H]1C ZINC000247206508 535608390 /nfs/dbraw/zinc/60/83/90/535608390.db2.gz PJBBYEKCZHGGSR-CHWSQXEVSA-N 0 0 326.466 1.513 10 0 EDAERN CCN(CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248569023 535727632 /nfs/dbraw/zinc/72/76/32/535727632.db2.gz PYYJOJLSZMGWGG-INIZCTEOSA-N 0 0 328.453 1.767 10 0 EDAERN CN[C@@H](C(=O)Nc1ccc(N2CCCCC2)nc1)c1cnn(C)c1 ZINC000262540700 536337917 /nfs/dbraw/zinc/33/79/17/536337917.db2.gz NEYOPIRIGULQKO-MRXNPFEDSA-N 0 0 328.420 1.705 10 0 EDAERN CN[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1cnn(C)c1 ZINC000261984716 536386680 /nfs/dbraw/zinc/38/66/80/536386680.db2.gz JKWICHFVBIHNTM-BZNIZROVSA-N 0 0 330.388 1.329 10 0 EDAERN COC(=O)[C@@H](c1cccnc1)N1CCCN(c2ccc(C)nn2)CC1 ZINC000246306337 536459800 /nfs/dbraw/zinc/45/98/00/536459800.db2.gz AWZQFWWIYFGUPS-QGZVFWFLSA-N 0 0 341.415 1.606 10 0 EDAERN COC(=O)[C@@H](c1cccnc1)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000246374891 536459842 /nfs/dbraw/zinc/45/98/42/536459842.db2.gz HVAJOBQBMKKCMV-NVXWUHKLSA-N 0 0 343.431 1.916 10 0 EDAERN COCCN1CCN(C(=O)NCc2cc(C)cc(OC)c2)C[C@@H]1C ZINC000132936228 536869593 /nfs/dbraw/zinc/86/95/93/536869593.db2.gz YMXBUHMKVOWHMK-HNNXBMFYSA-N 0 0 335.448 1.866 10 0 EDAERN COc1ccccc1C(=O)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000184045800 536989374 /nfs/dbraw/zinc/98/93/74/536989374.db2.gz KUJAXUHZKPQFFS-LLVKDONJSA-N 0 0 328.372 1.683 10 0 EDAERN COc1ccccc1OCCC(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888077001 590932417 /nfs/dbraw/zinc/93/24/17/590932417.db2.gz CBCXMSIURNCWLE-OGHNNQOOSA-N 0 0 331.372 1.151 10 0 EDAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000888076774 590933083 /nfs/dbraw/zinc/93/30/83/590933083.db2.gz BIEIHKTUQMQMAE-KRWDZBQOSA-N 0 0 343.387 1.633 10 0 EDAERN Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000888076840 590933320 /nfs/dbraw/zinc/93/33/20/590933320.db2.gz LENKHHFCUXMBHA-NVXWUHKLSA-N 0 0 338.411 1.659 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccn2C2CCCC2)cn1 ZINC000888093702 591022992 /nfs/dbraw/zinc/02/29/92/591022992.db2.gz OQEWTBYKPRTWHS-DOTOQJQBSA-N 0 0 344.415 1.913 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccn(C)c2C2CCC2)cn1 ZINC000888093557 591023557 /nfs/dbraw/zinc/02/35/57/591023557.db2.gz GIWWKRXYGLREPG-JKSUJKDBSA-N 0 0 344.415 1.602 10 0 EDAERN Cc1nnc([C@H]2OCC[C@H]2CNC(=O)Cc2ccncc2Cl)[nH]1 ZINC000888100732 591029534 /nfs/dbraw/zinc/02/95/34/591029534.db2.gz MNWSBGQIPJQQEC-FZMZJTMJSA-N 0 0 335.795 1.598 10 0 EDAERN O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1Cn1ccnn1 ZINC000888099418 591029684 /nfs/dbraw/zinc/02/96/84/591029684.db2.gz YMPWATITCRTKRK-WBVHZDCISA-N 0 0 339.399 1.113 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)c2ccccn2)C1 ZINC000888102690 591030666 /nfs/dbraw/zinc/03/06/66/591030666.db2.gz GJWOGUVPWDHOII-OLZOCXBDSA-N 0 0 336.417 1.572 10 0 EDAERN CN1CC[C@H](N2CCC(c3ncc(C(=O)N4CCCC4)o3)CC2)C1=O ZINC000888103226 591031333 /nfs/dbraw/zinc/03/13/33/591031333.db2.gz QWWJVQXAZDNFLN-AWEZNQCLSA-N 0 0 346.431 1.321 10 0 EDAERN Brc1c[nH]c(CN2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000891415347 591071637 /nfs/dbraw/zinc/07/16/37/591071637.db2.gz OUOXWRFWUXNKNG-SNVBAGLBSA-N 0 0 325.214 1.676 10 0 EDAERN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC[C@H](n2cncn2)C1 ZINC000896173204 591369871 /nfs/dbraw/zinc/36/98/71/591369871.db2.gz KUAUVUYUNFONSK-WFASDCNBSA-N 0 0 325.372 1.316 10 0 EDAERN Cc1nccc(CCC(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)n1 ZINC000899087283 591679502 /nfs/dbraw/zinc/67/95/02/591679502.db2.gz ZCXMHEKCGBIHNR-OAHLLOKOSA-N 0 0 326.404 1.660 10 0 EDAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000102660537 595018103 /nfs/dbraw/zinc/01/81/03/595018103.db2.gz XHNXSUHYTHBQMU-QMMMGPOBSA-N 0 0 349.840 1.344 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 ZINC000106393403 595263174 /nfs/dbraw/zinc/26/31/74/595263174.db2.gz QVXLHFYXOQCBPM-ZDUSSCGKSA-N 0 0 346.456 1.734 10 0 EDAERN O=C1OCC[C@@H]1N1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105868908 595481595 /nfs/dbraw/zinc/48/15/95/595481595.db2.gz HIBNQDPBLDTPCV-INIZCTEOSA-N 0 0 327.384 1.775 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000110896242 595571806 /nfs/dbraw/zinc/57/18/06/595571806.db2.gz WLZLHVMNEZFJMX-WPRPVWTQSA-N 0 0 333.219 1.777 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000111641677 595899738 /nfs/dbraw/zinc/89/97/38/595899738.db2.gz CGFFSFMVIKYRFN-FOGDFJRCSA-N 0 0 332.183 1.952 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(CN3CCSC3=O)CC2)cn1 ZINC000113924754 595906334 /nfs/dbraw/zinc/90/63/34/595906334.db2.gz ZDQCWVGWHSSELJ-UHFFFAOYSA-N 0 0 337.493 1.882 10 0 EDAERN CCS(=O)(=O)CCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000118398250 596045030 /nfs/dbraw/zinc/04/50/30/596045030.db2.gz QKNWGEUBBIQNEX-UHFFFAOYSA-N 0 0 342.509 1.190 10 0 EDAERN Cc1nn(C2CCOCC2)c(C)c1C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000854384569 596057405 /nfs/dbraw/zinc/05/74/05/596057405.db2.gz XUWTUYREAXVCJC-AWEZNQCLSA-N 0 0 348.447 1.638 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NCc2nc3ccccc3n2C)cn1 ZINC000862494320 596336292 /nfs/dbraw/zinc/33/62/92/596336292.db2.gz KOYRSDGGGROHPE-GOEBONIOSA-N 0 0 327.388 1.243 10 0 EDAERN CCC(NC1C2CC3CC(C2)CC1C3)=C1C(=O)NC(=S)NC1=O ZINC000127342508 597713380 /nfs/dbraw/zinc/71/33/80/597713380.db2.gz ZXLMMTBKWCGJMS-UHFFFAOYSA-N 0 0 333.457 1.596 10 0 EDAERN CCc1nc(C2(NCn3nnc4ccccc4c3=O)CCCC2)no1 ZINC000132124317 597796832 /nfs/dbraw/zinc/79/68/32/597796832.db2.gz PVYAYAXGXLVZPK-UHFFFAOYSA-N 0 0 340.387 1.754 10 0 EDAERN COC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1)C(C)C ZINC000153899215 696637858 /nfs/dbraw/zinc/63/78/58/696637858.db2.gz ACSKCGYANMUFEV-IUODEOHRSA-N 0 0 345.403 1.825 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCC1(C)OCCO1)CC2 ZINC000185005272 698797764 /nfs/dbraw/zinc/79/77/64/698797764.db2.gz YPCURPQWSVLOII-GFCCVEGCSA-N 0 0 337.424 1.169 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000181227473 699280787 /nfs/dbraw/zinc/28/07/87/699280787.db2.gz VPAPJZUGNDLZTL-DGFQIJBJSA-N 0 0 336.413 1.110 10 0 EDAERN C[C@@H](CCS(C)(=O)=O)OC(=O)Cn1ccc(=O)c2ccccc21 ZINC000185752097 704980679 /nfs/dbraw/zinc/98/06/79/704980679.db2.gz IWSYGGXJSWUSOL-LBPRGKRZSA-N 0 0 337.397 1.368 10 0 EDAERN CN1C(=O)CCc2cc(CN3CCO[C@@H](Cn4cccn4)C3)ccc21 ZINC000186948031 707186488 /nfs/dbraw/zinc/18/64/88/707186488.db2.gz AJJDYGAGXRYKHC-QGZVFWFLSA-N 0 0 340.427 1.693 10 0 EDAERN CCCn1cc(S(=O)(=O)N(CCC(N)=S)C2CC2)nc1C ZINC000050265763 214051653 /nfs/dbraw/zinc/05/16/53/214051653.db2.gz FCEASPXNBUCHRS-UHFFFAOYSA-N 0 0 330.479 1.431 10 0 EDAERN CO[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1Br ZINC000050368240 214054458 /nfs/dbraw/zinc/05/44/58/214054458.db2.gz USDARPBNFQCWHB-WDEREUQCSA-N 0 0 349.250 1.877 10 0 EDAERN Nc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCNC2=O)c(Cl)c1 ZINC000050397259 214055879 /nfs/dbraw/zinc/05/58/79/214055879.db2.gz VHSULLSASLTUEN-SECBINFHSA-N 0 0 338.216 1.133 10 0 EDAERN CCC(C)(C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000050636418 214062594 /nfs/dbraw/zinc/06/25/94/214062594.db2.gz KWRXKQHQQXDPJC-UHFFFAOYSA-N 0 0 334.463 1.599 10 0 EDAERN CC[C@@H](C)CN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050652809 214063507 /nfs/dbraw/zinc/06/35/07/214063507.db2.gz VYABKNDXJWOMQT-SNVBAGLBSA-N 0 0 334.463 1.339 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC000081579447 282105163 /nfs/dbraw/zinc/10/51/63/282105163.db2.gz XMLZZXNTBNMNOZ-CQSZACIVSA-N 0 0 337.387 1.741 10 0 EDAERN Cc1ccc2cc(C(=O)NCC3(C(N)=O)CCOCC3)c(C)nc2c1 ZINC000052744730 214142134 /nfs/dbraw/zinc/14/21/34/214142134.db2.gz PNIMIZILSOXTDQ-UHFFFAOYSA-N 0 0 341.411 1.864 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000173676191 231002106 /nfs/dbraw/zinc/00/21/06/231002106.db2.gz WPQQPRRIVBKKRL-OAHLLOKOSA-N 0 0 329.404 1.742 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)[nH]1 ZINC000173680663 231002975 /nfs/dbraw/zinc/00/29/75/231002975.db2.gz KHVYGHIQBOEXKU-CYBMUJFWSA-N 0 0 326.360 1.737 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)Cc3cccc(C)c3)CCO2)[nH]1 ZINC000173734872 231017331 /nfs/dbraw/zinc/01/73/31/231017331.db2.gz KFWVKECPQLJRRP-AWEZNQCLSA-N 0 0 336.417 1.325 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)Cc3cccc(C)c3)CCO2)[nH]1 ZINC000173734888 231017789 /nfs/dbraw/zinc/01/77/89/231017789.db2.gz KFWVKECPQLJRRP-CQSZACIVSA-N 0 0 336.417 1.325 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccccc3Cl)CCO2)[nH]1 ZINC000173736617 231019370 /nfs/dbraw/zinc/01/93/70/231019370.db2.gz NFHKERLXALRQAY-LLVKDONJSA-N 0 0 342.808 1.529 10 0 EDAERN C[C@H]1CN(C(=O)c2cccc(-n3cccn3)c2)C[C@H]1N1CCOCC1 ZINC000173878320 231059289 /nfs/dbraw/zinc/05/92/89/231059289.db2.gz MWTNCOPBCGQTSR-MAUKXSAKSA-N 0 0 340.427 1.665 10 0 EDAERN CCCCOC(=O)CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000063130882 214745340 /nfs/dbraw/zinc/74/53/40/214745340.db2.gz WCYXXYAHOTUSLZ-UHFFFAOYSA-N 0 0 334.415 1.207 10 0 EDAERN CCN1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000056938744 214396414 /nfs/dbraw/zinc/39/64/14/214396414.db2.gz BJVSPFQAYWWXMX-AWEZNQCLSA-N 0 0 326.466 1.001 10 0 EDAERN CC[C@@H]1NC(=O)CCN(Cc2ccc(Br)cn2)C1=O ZINC000168917286 529462953 /nfs/dbraw/zinc/46/29/53/529462953.db2.gz XCECTPIAVBMKEK-NSHDSACASA-N 0 0 326.194 1.471 10 0 EDAERN COCCNC(=O)CN(C)Cc1ccc(Br)cc1F ZINC000049825053 214034191 /nfs/dbraw/zinc/03/41/91/214034191.db2.gz LPVZYJMZUVKVKW-UHFFFAOYSA-N 0 0 333.201 1.783 10 0 EDAERN CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@@H]1CNC(=O)C1 ZINC000132971401 529502105 /nfs/dbraw/zinc/50/21/05/529502105.db2.gz UNPGDMQQRPVTNP-BONVTDFDSA-N 0 0 325.796 1.535 10 0 EDAERN O=C(Nc1ccc2c(c1)CCO2)N1CCN(Cc2ccon2)CC1 ZINC000174892480 231336351 /nfs/dbraw/zinc/33/63/51/231336351.db2.gz YBFRCENYNNSQHI-UHFFFAOYSA-N 0 0 328.372 1.959 10 0 EDAERN CCn1cnnc1C1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000175107348 231385785 /nfs/dbraw/zinc/38/57/85/231385785.db2.gz HUKWECFZSAELEF-UHFFFAOYSA-N 0 0 330.454 1.232 10 0 EDAERN CCN(C(=O)c1nnc(-c2ccc(C)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000049683820 214026658 /nfs/dbraw/zinc/02/66/58/214026658.db2.gz XTDKFLUQUZMQJZ-CYBMUJFWSA-N 0 0 349.412 1.694 10 0 EDAERN CCOC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1cccc(Cl)c1 ZINC000058949394 214609939 /nfs/dbraw/zinc/60/99/39/214609939.db2.gz VRFADIRAZMBBOB-LBPRGKRZSA-N 0 0 336.775 1.947 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2cc(F)ccc2OC)CC1 ZINC000187921206 529698722 /nfs/dbraw/zinc/69/87/22/529698722.db2.gz DNHKNGPSXNQLLJ-HNNXBMFYSA-N 0 0 339.411 1.432 10 0 EDAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000152880746 529701378 /nfs/dbraw/zinc/70/13/78/529701378.db2.gz HZYJWBLWLOAEHR-IAQYHMDHSA-N 0 0 325.430 1.950 10 0 EDAERN CCc1nc(-c2ccnc(C)n2)nc(N)c1I ZINC000159515901 529704362 /nfs/dbraw/zinc/70/43/62/529704362.db2.gz BIABMSSJRQOCRD-UHFFFAOYSA-N 0 0 341.156 1.991 10 0 EDAERN O=S1(=O)C[C@@H](O)[C@H](Nc2cc(Br)ccc2Cl)C1 ZINC000061691177 214670896 /nfs/dbraw/zinc/67/08/96/214670896.db2.gz IICQDHFBBQTKCM-NXEZZACHSA-N 0 0 340.626 1.672 10 0 EDAERN CC(=O)N1CCN(C(=O)CCc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC000062071839 214696850 /nfs/dbraw/zinc/69/68/50/214696850.db2.gz DJJAQRDMFANPQC-UHFFFAOYSA-N 0 0 345.374 1.291 10 0 EDAERN CCc1ncsc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000154337855 529763032 /nfs/dbraw/zinc/76/30/32/529763032.db2.gz SYMSBWPASWQCLN-VIFPVBQESA-N 0 0 339.442 1.844 10 0 EDAERN CN(CC[C@H]1CCCCO1)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000062193412 214705124 /nfs/dbraw/zinc/70/51/24/214705124.db2.gz UUCDOGGOXVWKKQ-GFCCVEGCSA-N 0 0 327.402 1.995 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)C1 ZINC000174749785 529783018 /nfs/dbraw/zinc/78/30/18/529783018.db2.gz PCAYFSUWQMPREK-KRWDZBQOSA-N 0 0 333.432 1.644 10 0 EDAERN CN(C)c1cccc(CNC(=O)N2CCO[C@@H](c3nccs3)C2)n1 ZINC000164304073 529790251 /nfs/dbraw/zinc/79/02/51/529790251.db2.gz OWTRXPHNJICHFM-CYBMUJFWSA-N 0 0 347.444 1.887 10 0 EDAERN Cc1cc(C)nc(NC(=O)CN2CCN(c3ccccc3)C2=O)n1 ZINC000049378509 214004180 /nfs/dbraw/zinc/00/41/80/214004180.db2.gz DZFCOQLOXRDBEL-UHFFFAOYSA-N 0 0 325.372 1.974 10 0 EDAERN CN(C)c1ncc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000164107415 529811803 /nfs/dbraw/zinc/81/18/03/529811803.db2.gz BTJSMHIWQSSEFT-GFCCVEGCSA-N 0 0 329.360 1.438 10 0 EDAERN C[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H]1N1CCOCC1 ZINC000177248496 231839607 /nfs/dbraw/zinc/83/96/07/231839607.db2.gz SUFQRKXLPHMVBK-ZBFHGGJFSA-N 0 0 328.416 1.889 10 0 EDAERN CCn1cc(CCNS(=O)(=O)c2cccnc2)c2cccnc21 ZINC000065156717 214834448 /nfs/dbraw/zinc/83/44/48/214834448.db2.gz KLQQPTGPQHUPLU-UHFFFAOYSA-N 0 0 330.413 1.972 10 0 EDAERN COC(=O)c1nn(C)c(N)c1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000725254536 539391015 /nfs/dbraw/zinc/39/10/15/539391015.db2.gz XICNZFYUCFNNAK-SECBINFHSA-N 0 0 340.380 1.097 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCN2CCCC2=O)C1 ZINC000101763503 219162583 /nfs/dbraw/zinc/16/25/83/219162583.db2.gz KOMJYPUCMPKNNB-CQSZACIVSA-N 0 0 338.452 1.089 10 0 EDAERN CC(C)Oc1cccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc(N)cc2)c1 ZINC000066142799 215016890 /nfs/dbraw/zinc/01/68/90/215016890.db2.gz RIEFWAIVAXRCAH-ROUUACIJSA-N 0 0 344.411 1.880 10 0 EDAERN Cc1ncsc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000066406994 215037710 /nfs/dbraw/zinc/03/77/10/215037710.db2.gz IHRORDSQGJBGBK-ZDUSSCGKSA-N 0 0 332.429 1.690 10 0 EDAERN NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)c(F)c1 ZINC000003627214 210069174 /nfs/dbraw/zinc/06/91/74/210069174.db2.gz BUQOMQVAPSDAIP-LBPRGKRZSA-N 0 0 348.355 1.520 10 0 EDAERN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(N)cccc1Cl ZINC000045166364 213710671 /nfs/dbraw/zinc/71/06/71/213710671.db2.gz OLRCQTSBGYWXFB-NSHDSACASA-N 0 0 331.825 1.211 10 0 EDAERN Cn1cc(S(=O)(=O)N2C[C@H](c3ccccc3)OCC2(C)C)cn1 ZINC000066937398 215096541 /nfs/dbraw/zinc/09/65/41/215096541.db2.gz NIUXCSMAOWEYME-OAHLLOKOSA-N 0 0 335.429 1.961 10 0 EDAERN CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCCc3ccco3)ncn2)C1 ZINC000685941268 539579934 /nfs/dbraw/zinc/57/99/34/539579934.db2.gz BNSPUHPAMSFPAA-HOCLYGCPSA-N 0 0 345.447 1.880 10 0 EDAERN COCCN([C@@H](C)COC)S(=O)(=O)c1ccc(Cl)cc1N ZINC000042601814 213519308 /nfs/dbraw/zinc/51/93/08/213519308.db2.gz MUNWMNWYFAUFRB-JTQLQIEISA-N 0 0 336.841 1.594 10 0 EDAERN COC(=O)CCS(=O)(=O)Nc1ccc(Br)cc1N ZINC000042536069 213512050 /nfs/dbraw/zinc/51/20/50/213512050.db2.gz YEBWFBIUAQXJKL-UHFFFAOYSA-N 0 0 337.195 1.336 10 0 EDAERN NC(=O)CN1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000067805538 215217731 /nfs/dbraw/zinc/21/77/31/215217731.db2.gz UMNZMRWIOMJBPT-UHFFFAOYSA-N 0 0 327.388 1.258 10 0 EDAERN C[C@H]1CN(c2ccccc2F)CCN1C[C@@H](O)CN1CCCC1=O ZINC000248975552 539694740 /nfs/dbraw/zinc/69/47/40/539694740.db2.gz DKUVKPZAKQFBFN-LSDHHAIUSA-N 0 0 335.423 1.320 10 0 EDAERN C[C@@H](C(=O)N[C@@H]1CCOC(C)(C)C1)N1C(=O)c2ccccc2C1=O ZINC000150938870 539726016 /nfs/dbraw/zinc/72/60/16/539726016.db2.gz GTPUDZMSDAAJQM-NWDGAFQWSA-N 0 0 330.384 1.745 10 0 EDAERN Cc1nc(NC(=O)[C@H](C)N2CCOCC2)sc1C(=O)OC(C)C ZINC000041573132 213454139 /nfs/dbraw/zinc/45/41/39/213454139.db2.gz HZAPKMMUKPOIBE-NSHDSACASA-N 0 0 341.433 1.676 10 0 EDAERN C[C@H](Nc1ncnc2ccccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000041502598 213450382 /nfs/dbraw/zinc/45/03/82/213450382.db2.gz VGGVEELKSUOQKE-RYUDHWBXSA-N 0 0 348.428 1.076 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)o1 ZINC000103511274 219310733 /nfs/dbraw/zinc/31/07/33/219310733.db2.gz BKMLQQRXYFNWJI-UONOGXRCSA-N 0 0 348.447 1.643 10 0 EDAERN O=S(=O)(NC[C@H]1COc2ccccc2O1)c1cnc(Cl)s1 ZINC000040802952 213387786 /nfs/dbraw/zinc/38/77/86/213387786.db2.gz ACMPXTYMLXMPPX-QMMMGPOBSA-N 0 0 346.817 1.915 10 0 EDAERN Nc1ccc(Cl)c(-c2nnnn2[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069146030 215364422 /nfs/dbraw/zinc/36/44/22/215364422.db2.gz BWBFBEARWOLLLM-SECBINFHSA-N 0 0 327.797 1.325 10 0 EDAERN CCCS(=O)(=O)c1ccc(N[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069144970 215364636 /nfs/dbraw/zinc/36/46/36/215364636.db2.gz RXLUSJCWLJLTDX-CYBMUJFWSA-N 0 0 331.459 1.859 10 0 EDAERN CCS(=O)(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCCC1 ZINC000040616581 213359821 /nfs/dbraw/zinc/35/98/21/213359821.db2.gz RTAYFRIPXMJITA-CQSZACIVSA-N 0 0 342.461 1.780 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)NCc1cn[nH]c1 ZINC000040347162 213292554 /nfs/dbraw/zinc/29/25/54/213292554.db2.gz RIZOIHUEBNXNBQ-UHFFFAOYSA-N 0 0 331.195 1.233 10 0 EDAERN CCCCN(C)C(=O)Cn1c(CCNC(C)=O)nc2ccccc21 ZINC000040197593 213280940 /nfs/dbraw/zinc/28/09/40/213280940.db2.gz PBZLQRFIZSDSRL-UHFFFAOYSA-N 0 0 330.432 1.973 10 0 EDAERN COCC(=O)N(C)CC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000127908912 222895920 /nfs/dbraw/zinc/89/59/20/222895920.db2.gz LKWOLSCHQXNOIN-HNNXBMFYSA-N 0 0 334.416 1.470 10 0 EDAERN O=C(Nc1ccccc1CN1CCNC1=O)N[C@H]1CCCC[C@@H]1CO ZINC000182755120 234747935 /nfs/dbraw/zinc/74/79/35/234747935.db2.gz PJTNKUCUSCLSIB-ZBFHGGJFSA-N 0 0 346.431 1.884 10 0 EDAERN CCCN(CCC)c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000039771258 213241703 /nfs/dbraw/zinc/24/17/03/213241703.db2.gz OSBJGOQXYZMYBN-UHFFFAOYSA-N 0 0 327.450 1.729 10 0 EDAERN CNC(=O)[C@H]1CN(C(=O)COc2ccc(C)nc2)c2ccccc2O1 ZINC000069696693 215535156 /nfs/dbraw/zinc/53/51/56/215535156.db2.gz YWQPMNCRSDRWJQ-MRXNPFEDSA-N 0 0 341.367 1.309 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000178874239 540113699 /nfs/dbraw/zinc/11/36/99/540113699.db2.gz OMKAHWOJOOKTCE-CQSZACIVSA-N 0 0 335.452 1.519 10 0 EDAERN O=C(CNC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)NCC1CC1 ZINC000183791727 235227414 /nfs/dbraw/zinc/22/74/14/235227414.db2.gz AWDKLFTUKXUAPK-KRWDZBQOSA-N 0 0 345.443 1.903 10 0 EDAERN Cn1nc(CCNC(=O)NC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000185865002 540149835 /nfs/dbraw/zinc/14/98/35/540149835.db2.gz RNFJNSDAHYIKEG-GUYCJALGSA-N 0 0 330.432 1.966 10 0 EDAERN CCOc1cnc(C(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000189135386 540163486 /nfs/dbraw/zinc/16/34/86/540163486.db2.gz WGFRRFLVVBPYRX-UHFFFAOYSA-N 0 0 328.376 1.382 10 0 EDAERN C[C@H](c1cnccn1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000184528786 235421004 /nfs/dbraw/zinc/42/10/04/235421004.db2.gz KPXIGJAPLMDNJL-IAGOWNOFSA-N 0 0 342.443 1.595 10 0 EDAERN CCCc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)CCC)s1 ZINC000052585491 138138341 /nfs/dbraw/zinc/13/83/41/138138341.db2.gz WIGOTGODDZWTTC-SNVBAGLBSA-N 0 0 346.478 1.633 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000083741007 138269350 /nfs/dbraw/zinc/26/93/50/138269350.db2.gz FYKMBFXIGAYIST-NSHDSACASA-N 0 0 346.357 1.311 10 0 EDAERN C[C@@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1 ZINC000185542003 235690594 /nfs/dbraw/zinc/69/05/94/235690594.db2.gz YXWZIEVICUTHKR-CZUORRHYSA-N 0 0 349.822 1.453 10 0 EDAERN O=C1C[C@H](NCc2ccc(Br)s2)C(=O)N1C1CC1 ZINC000038018607 213191851 /nfs/dbraw/zinc/19/18/51/213191851.db2.gz SNAYTCIHSQOACV-VIFPVBQESA-N 0 0 329.219 1.890 10 0 EDAERN COc1ccc(CN(C(=O)NC[C@H]2CN(C)CCO2)C2CC2)cc1 ZINC000105283025 138301125 /nfs/dbraw/zinc/30/11/25/138301125.db2.gz ZBAVUZUWCVOZRL-KRWDZBQOSA-N 0 0 333.432 1.700 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccccc2Br)C1 ZINC000105282779 138301186 /nfs/dbraw/zinc/30/11/86/138301186.db2.gz VZGJDFGTAJCBLR-SNVBAGLBSA-N 0 0 328.210 1.901 10 0 EDAERN COc1c(CN(C)C[C@H](O)COCc2ccccc2)c(C)nn1C ZINC000092472441 138288911 /nfs/dbraw/zinc/28/89/11/138288911.db2.gz XPQKUIALAHYURK-INIZCTEOSA-N 0 0 333.432 1.747 10 0 EDAERN Cc1n[nH]c(C)c1NC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105910070 138302608 /nfs/dbraw/zinc/30/26/08/138302608.db2.gz SHCVGPIUDOXURV-UHFFFAOYSA-N 0 0 329.408 1.332 10 0 EDAERN CCc1ccc([C@@H](C)NCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000124901055 138330658 /nfs/dbraw/zinc/33/06/58/138330658.db2.gz UJZRVSGALUFAAG-LLVKDONJSA-N 0 0 341.415 1.374 10 0 EDAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000130272729 138340661 /nfs/dbraw/zinc/34/06/61/138340661.db2.gz JTANBCPBJYFPRE-UTUOFQBUSA-N 0 0 335.433 1.986 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)NCCc1ccc(Cl)cc1 ZINC000037859154 213171570 /nfs/dbraw/zinc/17/15/70/213171570.db2.gz FVHVHGCKKCFJFJ-UHFFFAOYSA-N 0 0 332.834 1.919 10 0 EDAERN C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)N1CCN(c2ccccc2)CC1 ZINC000131155452 138352827 /nfs/dbraw/zinc/35/28/27/138352827.db2.gz CTWXQLNVQSBKME-NUJGCVRESA-N 0 0 331.460 1.881 10 0 EDAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000131895451 138367534 /nfs/dbraw/zinc/36/75/34/138367534.db2.gz AXEXDGAJAOJOMW-MFKMUULPSA-N 0 0 330.436 1.976 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000132694026 138381199 /nfs/dbraw/zinc/38/11/99/138381199.db2.gz RSUZCDXLCHNNAB-ZIAGYGMSSA-N 0 0 334.420 1.418 10 0 EDAERN COc1ccccc1OCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133931314 138399906 /nfs/dbraw/zinc/39/99/06/138399906.db2.gz JWTKUGMXRDWJLD-ZDUSSCGKSA-N 0 0 344.415 1.920 10 0 EDAERN C[C@H]1CSCCN1S(=O)(=O)Cc1ccccc1C(N)=S ZINC000070222563 215684676 /nfs/dbraw/zinc/68/46/76/215684676.db2.gz SSGMUFRQFIRQSK-JTQLQIEISA-N 0 0 330.500 1.588 10 0 EDAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cnc(-c2ccccc2)nc1 ZINC000187328081 236180047 /nfs/dbraw/zinc/18/00/47/236180047.db2.gz CKHBFAUCVGRFGK-HOCLYGCPSA-N 0 0 347.440 1.973 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000106378622 219633810 /nfs/dbraw/zinc/63/38/10/219633810.db2.gz CZMHWLMXSUPQDA-KBPBESRZSA-N 0 0 341.481 1.454 10 0 EDAERN Cc1cc(F)c(S(=O)(=O)NCCOCC(F)(F)F)cc1N ZINC000070485585 215698642 /nfs/dbraw/zinc/69/86/42/215698642.db2.gz IPZOWDXPYQTNEZ-UHFFFAOYSA-N 0 0 330.303 1.574 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000036124034 213070579 /nfs/dbraw/zinc/07/05/79/213070579.db2.gz PVTSBTYVBANPDC-ZIAGYGMSSA-N 0 0 342.461 1.425 10 0 EDAERN COc1ccc(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000155748754 138545264 /nfs/dbraw/zinc/54/52/64/138545264.db2.gz OVTWWMRTEOWBMQ-ZDUSSCGKSA-N 0 0 344.419 1.619 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000187785757 236299569 /nfs/dbraw/zinc/29/95/69/236299569.db2.gz RDDTZGVJLQUFSF-GXFFZTMASA-N 0 0 341.408 1.573 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000106393726 219636645 /nfs/dbraw/zinc/63/66/45/219636645.db2.gz ZRQPCRPRHCNPDR-HNNXBMFYSA-N 0 0 336.432 1.161 10 0 EDAERN Cc1coc2ccc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)cc12 ZINC000187980636 236368424 /nfs/dbraw/zinc/36/84/24/236368424.db2.gz IAYSBEGVYLXWPH-UHFFFAOYSA-N 0 0 341.367 1.417 10 0 EDAERN O=C(Nc1cccc2ccccc21)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187976353 236366354 /nfs/dbraw/zinc/36/63/54/236366354.db2.gz UJZBMRNEKYHFMW-UHFFFAOYSA-N 0 0 337.379 1.515 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)CCCO1 ZINC000071248205 215746558 /nfs/dbraw/zinc/74/65/58/215746558.db2.gz CHOYOHNABOMKMI-SECBINFHSA-N 0 0 332.422 1.259 10 0 EDAERN COCCc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n(C)n1 ZINC000128366226 138620536 /nfs/dbraw/zinc/62/05/36/138620536.db2.gz JYSCOEPWNPXHHP-DYVFJYSZSA-N 0 0 336.436 1.768 10 0 EDAERN O=C(CNCC(=O)NC1CC1)Nc1ccccc1Br ZINC000035133221 213009281 /nfs/dbraw/zinc/00/92/81/213009281.db2.gz XKPSATIATNXUFJ-UHFFFAOYSA-N 0 0 326.194 1.256 10 0 EDAERN COC(=O)[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000035160698 213012301 /nfs/dbraw/zinc/01/23/01/213012301.db2.gz NIWGVJBGFLFSTR-GMSGAONNSA-N 0 0 336.171 1.411 10 0 EDAERN CC(=O)N1CCN(CC(=O)c2ccccc2Br)CC1 ZINC000034989039 213003680 /nfs/dbraw/zinc/00/36/80/213003680.db2.gz JQCOSYGEPFGGPR-UHFFFAOYSA-N 0 0 325.206 1.796 10 0 EDAERN CCc1nc2ccc(Br)cn2c1C(=O)N(C)CCO ZINC000071460980 215777792 /nfs/dbraw/zinc/77/77/92/215777792.db2.gz WDXBQGBHDGBMNG-UHFFFAOYSA-N 0 0 326.194 1.724 10 0 EDAERN C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000034950426 213002324 /nfs/dbraw/zinc/00/23/24/213002324.db2.gz HKODIGSRFALUTA-RCDLFFMESA-N 0 0 335.400 1.193 10 0 biogenic,in-vitro EDAERN CCN(CCC(=O)OC)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000071635752 215791416 /nfs/dbraw/zinc/79/14/16/215791416.db2.gz LAPATROCYUVTQD-NSHDSACASA-N 0 0 332.356 1.083 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(C)c3C)CCO2)[nH]1 ZINC000180225845 138757692 /nfs/dbraw/zinc/75/76/92/138757692.db2.gz WYJAQIKPKIHKDH-CQSZACIVSA-N 0 0 343.387 1.269 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@H]1COc2ccccc21 ZINC000181011763 138763789 /nfs/dbraw/zinc/76/37/89/138763789.db2.gz LGFNZZXJMDBQQI-AWEZNQCLSA-N 0 0 349.350 1.660 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)/C=C/c3cncc(O)c3)C2)no1 ZINC000181978904 138773141 /nfs/dbraw/zinc/77/31/41/138773141.db2.gz YDSVRVXTZLZNGZ-NNTXTVRGSA-N 0 0 328.372 1.973 10 0 EDAERN Cc1noc([C@@H]2COCCN2Cc2nc(Cc3ccccc3)no2)n1 ZINC000185074525 138800687 /nfs/dbraw/zinc/80/06/87/138800687.db2.gz SDWAIFUGQPQNLV-AWEZNQCLSA-N 0 0 341.371 1.925 10 0 EDAERN CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1(C)C ZINC000072511844 216265837 /nfs/dbraw/zinc/26/58/37/216265837.db2.gz NRQATBYIYQOVRE-GEDNVKPRSA-N 0 0 344.411 1.991 10 0 EDAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)nn1-c1ccc(F)cc1 ZINC000188104331 138831601 /nfs/dbraw/zinc/83/16/01/138831601.db2.gz MSKPIENZUOXTFZ-GFCCVEGCSA-N 0 0 330.363 1.670 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000188437953 138841285 /nfs/dbraw/zinc/84/12/85/138841285.db2.gz YELQMRZPWYVEAP-BXUZGUMPSA-N 0 0 345.226 1.934 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000188558582 138844746 /nfs/dbraw/zinc/84/47/46/138844746.db2.gz GDHGRMMPSAQGEB-LBPRGKRZSA-N 0 0 347.419 1.716 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CCC[C@@](C)(O)C1 ZINC000188676891 138848404 /nfs/dbraw/zinc/84/84/04/138848404.db2.gz IZTGGGARZQVPMZ-HWWQOWPSSA-N 0 0 330.400 1.707 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccco3)CCO2)n1 ZINC000188681679 138848594 /nfs/dbraw/zinc/84/85/94/138848594.db2.gz GJKMRRKZPNUYDV-CYBMUJFWSA-N 0 0 325.390 1.183 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000188904686 138855481 /nfs/dbraw/zinc/85/54/81/138855481.db2.gz WORVQETWYZHLGB-LLVKDONJSA-N 0 0 332.791 1.876 10 0 EDAERN C[C@@H](NC(=O)CCNC(=O)N1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000109944276 220003703 /nfs/dbraw/zinc/00/37/03/220003703.db2.gz BGQFGQQEWPJANI-PBHICJAKSA-N 0 0 345.443 1.828 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000190259847 138888036 /nfs/dbraw/zinc/88/80/36/138888036.db2.gz XPZPEWQGVLZDIW-DZGCQCFKSA-N 0 0 325.430 1.782 10 0 EDAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCCN(c2cccnn2)CC1 ZINC000134390791 223492717 /nfs/dbraw/zinc/49/27/17/223492717.db2.gz NQFGVVDICNXRKS-CYBMUJFWSA-N 0 0 326.404 1.359 10 0 EDAERN O=C(Cn1nnc2ccccc21)Nc1nnc([C@H]2CCCO2)s1 ZINC000019995030 212093503 /nfs/dbraw/zinc/09/35/03/212093503.db2.gz VXKCDUSIDSZHLZ-LLVKDONJSA-N 0 0 330.373 1.773 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc2ccccc2[nH]c1=O ZINC000172321287 284171644 /nfs/dbraw/zinc/17/16/44/284171644.db2.gz NIQUCTODMJNBIR-AWEZNQCLSA-N 0 0 349.394 1.717 10 0 EDAERN CC[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)Oc1ccccc1C ZINC000193456481 138969775 /nfs/dbraw/zinc/96/97/75/138969775.db2.gz VBJDSPXVGGKMFQ-BZUAXINKSA-N 0 0 334.416 1.250 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(SC)CC1 ZINC000195033092 139005199 /nfs/dbraw/zinc/00/51/99/139005199.db2.gz PEGXLRZCJMQFJY-JTQLQIEISA-N 0 0 325.438 1.454 10 0 EDAERN COc1ccc(OC)c2c1CN(Cc1nnc(C3CC3)n1C)C[C@@H]2O ZINC000195063821 139006146 /nfs/dbraw/zinc/00/61/46/139006146.db2.gz CTAKAFHEBSYFOT-ZDUSSCGKSA-N 0 0 344.415 1.759 10 0 EDAERN C[C@@H](C(N)=S)N(C)S(=O)(=O)c1sccc1Br ZINC000045146840 213709243 /nfs/dbraw/zinc/70/92/43/213709243.db2.gz SXZVAORQZVNFAA-YFKPBYRVSA-N 0 0 343.293 1.806 10 0 EDAERN Nc1ccc(Br)c(-c2nnnn2C[C@@H]2COCCO2)c1 ZINC000045626392 213747463 /nfs/dbraw/zinc/74/74/63/213747463.db2.gz JWADAKMWWRMABR-SECBINFHSA-N 0 0 340.181 1.100 10 0 EDAERN C[C@@H](NC(=O)C(=O)NCC(N)=S)c1cccc(Br)c1 ZINC000049570290 214020475 /nfs/dbraw/zinc/02/04/75/214020475.db2.gz DNQVJQTZUNISNI-SSDOTTSWSA-N 0 0 344.234 1.029 10 0 EDAERN CCN1CCN(CCOc2cccc(Br)c2)C(=O)C1=O ZINC000049600438 214021546 /nfs/dbraw/zinc/02/15/46/214021546.db2.gz XCWTVVNRAZCOBQ-UHFFFAOYSA-N 0 0 341.205 1.519 10 0 EDAERN CCOC(=O)[C@@H](C)NCC(=O)Nc1ccc(Br)cc1 ZINC000049372510 214002733 /nfs/dbraw/zinc/00/27/33/214002733.db2.gz OFXSMYWZHIDQKG-SECBINFHSA-N 0 0 329.194 1.929 10 0 EDAERN Cc1nc(CNS(=O)(=O)c2ccc(C(N)=S)cc2)cs1 ZINC000049534702 214015534 /nfs/dbraw/zinc/01/55/34/214015534.db2.gz ZJORXMVFNMTFDW-UHFFFAOYSA-N 0 0 327.456 1.564 10 0 EDAERN Cc1cc(F)ccc1S(=O)(=O)NCCc1nn2cnnc2s1 ZINC000049722330 214029006 /nfs/dbraw/zinc/02/90/06/214029006.db2.gz DBJAPZMRMVHWFW-UHFFFAOYSA-N 0 0 341.393 1.154 10 0 EDAERN NC(=O)c1ccccc1NC(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000195521624 139020020 /nfs/dbraw/zinc/02/00/20/139020020.db2.gz DQOVGHNTSHXGCL-ZDUSSCGKSA-N 0 0 346.412 1.254 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000195525597 139020150 /nfs/dbraw/zinc/02/01/50/139020150.db2.gz PCIGINDUQFMUTO-AWEZNQCLSA-N 0 0 336.417 1.706 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H]2C[C@@H]2C)C(C)C)c1 ZINC000221902313 139021090 /nfs/dbraw/zinc/02/10/90/139021090.db2.gz WOZUWEURSPRCQC-XZJROXQQSA-N 0 0 334.416 1.983 10 0 EDAERN CO[C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl ZINC000224655050 139021410 /nfs/dbraw/zinc/02/14/10/139021410.db2.gz WJEWLHYQUIPNHI-LURJTMIESA-N 0 0 341.216 1.406 10 0 EDAERN CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccncc1C ZINC000019146789 212001739 /nfs/dbraw/zinc/00/17/39/212001739.db2.gz WCQQXMZJIANROR-QGZVFWFLSA-N 0 0 344.459 1.505 10 0 EDAERN COCCn1c(CO)nnc1Cc1ccc(Br)cc1 ZINC000136215932 223634518 /nfs/dbraw/zinc/63/45/18/223634518.db2.gz QXRNYQSKFBAUGU-UHFFFAOYSA-N 0 0 326.194 1.770 10 0 EDAERN C[C@@H](NC(=O)CC[C@H]1CCCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000110604892 220048189 /nfs/dbraw/zinc/04/81/89/220048189.db2.gz GSCXMFRDTIEFTI-TZMCWYRMSA-N 0 0 340.445 1.861 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnn2ccc(C)nc12 ZINC000246421400 291548373 /nfs/dbraw/zinc/54/83/73/291548373.db2.gz TURCPVFKBMJBOL-QEJZJMRPSA-N 0 0 342.399 1.984 10 0 EDAERN C[C@H](OCc1ccccc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111076058 220095923 /nfs/dbraw/zinc/09/59/23/220095923.db2.gz JPKCBMLFKZDVPV-RDJZCZTQSA-N 0 0 329.400 1.716 10 0 EDAERN O=C(CSCc1ccccn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111081189 220097314 /nfs/dbraw/zinc/09/73/14/220097314.db2.gz YERBUYQOTMERJM-HNNXBMFYSA-N 0 0 332.429 1.439 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000080130156 217282390 /nfs/dbraw/zinc/28/23/90/217282390.db2.gz BDXANIIWJHREIL-SFDCACGMSA-N 0 0 341.408 1.648 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)CCC(C)C)CCO2)n1 ZINC000111344826 220142005 /nfs/dbraw/zinc/14/20/05/220142005.db2.gz SMGISRVUNMBRTN-HNNXBMFYSA-N 0 0 329.466 1.577 10 0 EDAERN Cn1cnc(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)c1Cl ZINC000111344294 220142336 /nfs/dbraw/zinc/14/23/36/220142336.db2.gz BSHIVRKOTLCMBQ-QMMMGPOBSA-N 0 0 348.837 1.292 10 0 EDAERN O=C(CN1C(=O)N/C(=C\c2ccc(F)cc2)C1=O)Nc1nccs1 ZINC000015052558 211792325 /nfs/dbraw/zinc/79/23/25/211792325.db2.gz YBMZCTGBFLKXBD-XFFZJAGNSA-N 0 0 346.343 1.814 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@H](c2ccccc2)N2CCSCC2)C1 ZINC000245387636 139071404 /nfs/dbraw/zinc/07/14/04/139071404.db2.gz ZHQAPQHKTIMDJX-SJORKVTESA-N 0 0 349.500 1.223 10 0 EDAERN CO[C@H](C)c1noc(CN(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000245479443 139076612 /nfs/dbraw/zinc/07/66/12/139076612.db2.gz WKJCHYLQCCLIPZ-OLZOCXBDSA-N 0 0 332.408 1.668 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NOCc3ccccc3)CCO2)c1 ZINC000112105531 220244942 /nfs/dbraw/zinc/24/49/42/220244942.db2.gz MBIFVPJXNWULPO-MRXNPFEDSA-N 0 0 330.388 1.734 10 0 EDAERN COc1ccc(O)c(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112117682 220245600 /nfs/dbraw/zinc/24/56/00/220245600.db2.gz AKGMGCBLMZQDDR-CQSZACIVSA-N 0 0 331.372 1.447 10 0 EDAERN C[C@@H](NC(=O)N1C[C@@H](C)OC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000245905403 139089057 /nfs/dbraw/zinc/08/90/57/139089057.db2.gz FEJNVOZBLRUTPC-JHJVBQTASA-N 0 0 340.445 1.970 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(C)C ZINC000246203646 139099045 /nfs/dbraw/zinc/09/90/45/139099045.db2.gz MRTAJVDHKIAALN-WOSRLPQWSA-N 0 0 332.400 1.448 10 0 EDAERN C[C@@H]1CN(Cc2cncc(Br)c2)C[C@H]1N1CCOCC1 ZINC000246288849 139102562 /nfs/dbraw/zinc/10/25/62/139102562.db2.gz AWLHKHDCMGNEMH-IUODEOHRSA-N 0 0 340.265 1.997 10 0 EDAERN Cc1cc(C)cc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000246394390 139106815 /nfs/dbraw/zinc/10/68/15/139106815.db2.gz JAPBWVWDFHGASS-AEFFLSMTSA-N 0 0 331.460 1.894 10 0 EDAERN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000246438202 139108374 /nfs/dbraw/zinc/10/83/74/139108374.db2.gz WEOSXZFCNDEYOM-HOTGVXAUSA-N 0 0 348.447 1.881 10 0 EDAERN CC(C)[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 ZINC000246425970 139107872 /nfs/dbraw/zinc/10/78/72/139107872.db2.gz AUMHNNOSYWHWBT-AXFHLTTASA-N 0 0 349.395 1.419 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2cccnc2Cl)C[C@H]1N1CCOCC1 ZINC000246481162 139110128 /nfs/dbraw/zinc/11/01/28/139110128.db2.gz OSAFHZWIYZIMHP-GXTWGEPZSA-N 0 0 338.839 1.326 10 0 EDAERN COc1ccc2cccc(CCNC(=O)CN3CCOCC3)c2c1 ZINC000013738645 211626865 /nfs/dbraw/zinc/62/68/65/211626865.db2.gz QZGWVMXBJDYKDJ-UHFFFAOYSA-N 0 0 328.412 1.839 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC000246711478 139118262 /nfs/dbraw/zinc/11/82/62/139118262.db2.gz KTYIJOVLKQWBEV-OLZOCXBDSA-N 0 0 342.386 1.744 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)c1 ZINC000246711941 139118303 /nfs/dbraw/zinc/11/83/03/139118303.db2.gz DZDCBNXFBTXTAK-KCXAZCMYSA-N 0 0 344.411 1.993 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C[C@H]1C ZINC000246715012 139118373 /nfs/dbraw/zinc/11/83/73/139118373.db2.gz LAGAQXCTMROHFR-PAPYEOQZSA-N 0 0 338.398 1.982 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)c2csnn2)c2cccs2)CCO1 ZINC000246876657 139125073 /nfs/dbraw/zinc/12/50/73/139125073.db2.gz MMKYHFBDQPVGAC-ZYHUDNBSSA-N 0 0 338.458 1.791 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccnn3C(C)C)CCO2)[nH]1 ZINC000246869603 139124791 /nfs/dbraw/zinc/12/47/91/139124791.db2.gz GBGWMOBFYKHEKN-DGCLKSJQSA-N 0 0 347.423 1.291 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1cccc(F)c1 ZINC000088296947 217744432 /nfs/dbraw/zinc/74/44/32/217744432.db2.gz JSEXHBCOVJNYQP-ZDUSSCGKSA-N 0 0 345.378 1.361 10 0 EDAERN COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@@H]13)O2 ZINC000013116569 211522647 /nfs/dbraw/zinc/52/26/47/211522647.db2.gz NNCKSAGIHJUGAY-MEMXURKKSA-N 0 0 343.379 1.711 10 0 EDAERN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000247358467 139145886 /nfs/dbraw/zinc/14/58/86/139145886.db2.gz YNSPUSIAMYISRJ-BYCMXARLSA-N 0 0 347.394 1.543 10 0 EDAERN C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000247374663 139146411 /nfs/dbraw/zinc/14/64/11/139146411.db2.gz VDRSLKXZVAMDFO-UKRRQHHQSA-N 0 0 331.395 1.759 10 0 EDAERN NC(=O)c1c2c(sc1NC(=O)c1nc3ncccn3n1)CCC2 ZINC000012845304 211468154 /nfs/dbraw/zinc/46/81/54/211468154.db2.gz KSBONAMIFFCBNK-UHFFFAOYSA-N 0 0 328.357 1.026 10 0 EDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)N3CCC[C@@H](C)C3)C2)c1 ZINC000247653590 139153513 /nfs/dbraw/zinc/15/35/13/139153513.db2.gz XJGRCQAPFOCWTJ-HIFRSBDPSA-N 0 0 326.466 1.805 10 0 EDAERN C[C@@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000247666406 139153675 /nfs/dbraw/zinc/15/36/75/139153675.db2.gz YBMPDUGCCNMVQD-JTDSTZFVSA-N 0 0 341.459 1.981 10 0 EDAERN CC(=O)NCCNC(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000012612855 211423158 /nfs/dbraw/zinc/42/31/58/211423158.db2.gz CVZBEDNONADHMD-UHFFFAOYSA-N 0 0 337.383 1.346 10 0 EDAERN Cc1ncc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c(C)n1 ZINC000012406477 211370213 /nfs/dbraw/zinc/37/02/13/211370213.db2.gz CCGGEDDQVLVVTA-LBPRGKRZSA-N 0 0 342.403 1.285 10 0 EDAERN C[C@H](C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)n1cncn1 ZINC000248629020 139169186 /nfs/dbraw/zinc/16/91/86/139169186.db2.gz VXZOCPGAKSDMEX-ZOBORPQBSA-N 0 0 349.435 1.601 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2cc(F)ccc2C1 ZINC000092006760 218103559 /nfs/dbraw/zinc/10/35/59/218103559.db2.gz HBXIIJKWVWCJTN-KRWDZBQOSA-N 0 0 341.386 1.990 10 0 EDAERN COC(=O)CCCCCS(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000248774629 139175146 /nfs/dbraw/zinc/17/51/46/139175146.db2.gz PBFWEAVKXOWVBU-AWEZNQCLSA-N 0 0 332.466 1.220 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)CCO2)[nH]1 ZINC000248819274 139176256 /nfs/dbraw/zinc/17/62/56/139176256.db2.gz LGLFPXICJVZDGT-MCIONIFRSA-N 0 0 349.435 1.408 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCNC(=O)C(C)(C)C ZINC000249245838 139189557 /nfs/dbraw/zinc/18/95/57/139189557.db2.gz UIIGWZMOSZBEEC-MJBXVCDLSA-N 0 0 338.448 1.872 10 0 EDAERN C[C@H]1CCS(=O)(=O)CCN1C[C@@H](O)COCc1ccccc1 ZINC000249249288 139189633 /nfs/dbraw/zinc/18/96/33/139189633.db2.gz FWJYQUWDEQHCFQ-GOEBONIOSA-N 0 0 327.446 1.073 10 0 EDAERN COc1ccc(C[C@@H]2COCC[C@H]2S(=O)(=O)NC2CC2)cc1 ZINC000095076279 218273418 /nfs/dbraw/zinc/27/34/18/218273418.db2.gz ZWUQMKOMOREVRC-CZUORRHYSA-N 0 0 325.430 1.725 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)N1CCC[C@@H](c2nncn2CC)C1 ZINC000249899652 139199713 /nfs/dbraw/zinc/19/97/13/139199713.db2.gz SLPJVDLFZQDNPH-HUUCEWRRSA-N 0 0 337.468 1.409 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)C[C@H]1C ZINC000253548781 139206903 /nfs/dbraw/zinc/20/69/03/139206903.db2.gz DXPFRROBCUOPQO-QIJLZVCCSA-N 0 0 328.456 1.804 10 0 EDAERN CN[C@@H](C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)c1cnn(C)c1 ZINC000262322839 139270053 /nfs/dbraw/zinc/27/00/53/139270053.db2.gz FNNZOGQLNDOWHQ-SUMWQHHRSA-N 0 0 338.415 1.744 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccs1 ZINC000171345015 533036047 /nfs/dbraw/zinc/03/60/47/533036047.db2.gz ZFWPVQHQNXFMAV-MRVPVSSYSA-N 0 0 335.360 1.802 10 0 EDAERN C[C@@H](NC(=O)N1CCN(C)C(=O)C1)c1cccc(Br)c1 ZINC000153412289 224100362 /nfs/dbraw/zinc/10/03/62/224100362.db2.gz HJGQUBRKRFEDAU-SNVBAGLBSA-N 0 0 340.221 1.994 10 0 EDAERN CNc1nc(C2(OC)CCOCC2)ncc1I ZINC000168851718 533080733 /nfs/dbraw/zinc/08/07/33/533080733.db2.gz QMAQMYVMYONUPJ-UHFFFAOYSA-N 0 0 349.172 1.775 10 0 EDAERN Cc1[nH]c(C(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1C(=O)OC(C)C ZINC000112649608 220364158 /nfs/dbraw/zinc/36/41/58/220364158.db2.gz LDWUEIYJADLCNH-GFCCVEGCSA-N 0 0 345.403 1.533 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000112660623 220367043 /nfs/dbraw/zinc/36/70/43/220367043.db2.gz NFOKYZHHOHZMTR-OCCSQVGLSA-N 0 0 329.335 1.041 10 0 EDAERN Cc1cccc(OC[C@@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112745532 220396130 /nfs/dbraw/zinc/39/61/30/220396130.db2.gz HLFDMUNGMZGECV-KGLIPLIRSA-N 0 0 329.404 1.668 10 0 EDAERN CCOc1ccccc1CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112748390 220396545 /nfs/dbraw/zinc/39/65/45/220396545.db2.gz YMXARYBXFJKEBB-CQSZACIVSA-N 0 0 329.404 1.534 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153847325 224166971 /nfs/dbraw/zinc/16/69/71/224166971.db2.gz DHJZPXQGZZOXAI-UKRRQHHQSA-N 0 0 343.383 1.947 10 0 EDAERN CC(C)n1nccc1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115633996 220881794 /nfs/dbraw/zinc/88/17/94/220881794.db2.gz LADZXCALUBUEHE-UHFFFAOYSA-N 0 0 345.451 1.937 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116532733 220971239 /nfs/dbraw/zinc/97/12/39/220971239.db2.gz RLJXTBIIJPKGOR-HNNXBMFYSA-N 0 0 341.415 1.479 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 ZINC000116779711 220989485 /nfs/dbraw/zinc/98/94/85/220989485.db2.gz MGCHTDXUBBEROM-AWEZNQCLSA-N 0 0 329.404 1.146 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)CNC(=O)c2cccs2)C1 ZINC000117255306 221039649 /nfs/dbraw/zinc/03/96/49/221039649.db2.gz NSYKGKDRXZJPOF-LBPRGKRZSA-N 0 0 347.444 1.496 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(C)c(F)c2)CCN1CCOC ZINC000117372173 221058744 /nfs/dbraw/zinc/05/87/44/221058744.db2.gz VYVFDGJPMMITNN-AWEZNQCLSA-N 0 0 344.452 1.865 10 0 EDAERN CCOc1ccc(OCC(=O)N2CCN(CCOC)[C@@H](C)C2)cc1 ZINC000117285138 221043940 /nfs/dbraw/zinc/04/39/40/221043940.db2.gz UVQVFZKLWZGTDS-HNNXBMFYSA-N 0 0 336.432 1.643 10 0 EDAERN CCCc1noc(CCCC(=O)N2CCN(CCOC)[C@@H](C)C2)n1 ZINC000117296363 221046796 /nfs/dbraw/zinc/04/67/96/221046796.db2.gz GBLURPHJNWSZHR-AWEZNQCLSA-N 0 0 338.452 1.524 10 0 EDAERN COCCN1CCN(C(=O)CCc2nc(C(C)(C)C)no2)C[C@@H]1C ZINC000117296177 221046893 /nfs/dbraw/zinc/04/68/93/221046893.db2.gz RCUJEUZTBUJVEX-ZDUSSCGKSA-N 0 0 338.452 1.479 10 0 EDAERN CC[C@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCN1CCOC ZINC000117308280 221050434 /nfs/dbraw/zinc/05/04/34/221050434.db2.gz PSMSKTKUVJBMQN-HOTGVXAUSA-N 0 0 344.521 1.858 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000117521637 221073242 /nfs/dbraw/zinc/07/32/42/221073242.db2.gz YTYGNYGMJXHLSE-MRXNPFEDSA-N 0 0 347.459 1.811 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H](C)Oc2cccnc2)C[C@@H]1CC ZINC000117807436 221091126 /nfs/dbraw/zinc/09/11/26/221091126.db2.gz NUABLIYMGBZDSS-CVEARBPZSA-N 0 0 335.448 1.808 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c1 ZINC000117817497 221092993 /nfs/dbraw/zinc/09/29/93/221092993.db2.gz RFKZYRCWLPVCAG-AWEZNQCLSA-N 0 0 336.461 1.399 10 0 EDAERN COc1ccccc1CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118671104 221168327 /nfs/dbraw/zinc/16/83/27/221168327.db2.gz PZNSBUKBCVIMFP-HNNXBMFYSA-N 0 0 326.400 1.813 10 0 EDAERN CCc1ncc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000119019911 221225343 /nfs/dbraw/zinc/22/53/43/221225343.db2.gz IMPNUYPJCCWKHW-UHFFFAOYSA-N 0 0 343.435 1.512 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000119041725 221229750 /nfs/dbraw/zinc/22/97/50/221229750.db2.gz VUSHZSARUMRHIN-AWEZNQCLSA-N 0 0 337.387 1.496 10 0 EDAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119462025 221326022 /nfs/dbraw/zinc/32/60/22/221326022.db2.gz WAOLLHFKXVWUMH-UHFFFAOYSA-N 0 0 333.779 1.803 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccccc1)CC2 ZINC000119552394 221347328 /nfs/dbraw/zinc/34/73/28/221347328.db2.gz XGOOKJZJDWJCHO-ZDUSSCGKSA-N 0 0 327.388 1.471 10 0 EDAERN O=C1CC[C@@H]2[C@@H](CCN2c2ncc(F)cn2)N1CC1CCOCC1 ZINC000248068626 257666648 /nfs/dbraw/zinc/66/66/48/257666648.db2.gz XAEYHZYICKXMCJ-HUUCEWRRSA-N 0 0 334.395 1.612 10 0 EDAERN Cc1nnc(N2CC[C@@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@@H]32)s1 ZINC000248026111 257667721 /nfs/dbraw/zinc/66/77/21/257667721.db2.gz NVUFSSCSMSIGHA-MELADBBJSA-N 0 0 348.428 1.882 10 0 EDAERN O=C(c1cccnc1)N1C[C@H](C(=O)N2CCCCO2)C[C@@H]2OCC[C@@H]21 ZINC000247844237 257677494 /nfs/dbraw/zinc/67/74/94/257677494.db2.gz GLVVXYFJKAAEIH-PMPSAXMXSA-N 0 0 345.399 1.255 10 0 EDAERN CCN1CCO[C@@H](C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000246370699 285355080 /nfs/dbraw/zinc/35/50/80/285355080.db2.gz HIPXOYDNDQMHLR-LSDHHAIUSA-N 0 0 347.463 1.389 10 0 EDAERN COc1ccc2[nH]cc(CC(=O)N[C@@H]3CCCn4ncnc43)c2c1 ZINC000177566046 533236884 /nfs/dbraw/zinc/23/68/84/533236884.db2.gz UOPYBTWBNLLORO-OAHLLOKOSA-N 0 0 325.372 1.962 10 0 EDAERN COc1ccc2c(N)c(C(=O)NC[C@H](C)[S@](C)=O)sc2c1 ZINC000166477468 533240044 /nfs/dbraw/zinc/24/00/44/533240044.db2.gz UVLGOIDTVVTKBZ-HXNGOWOSSA-N 0 0 326.443 1.989 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(F)ccc1F ZINC000155279278 533284003 /nfs/dbraw/zinc/28/40/03/533284003.db2.gz ADFWQEYQJFSBJC-ZDUSSCGKSA-N 0 0 336.342 1.897 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1COc2ccccc21 ZINC000155214481 533285557 /nfs/dbraw/zinc/28/55/57/533285557.db2.gz KVPLIIKGLUPTPS-STQMWFEESA-N 0 0 328.372 1.552 10 0 EDAERN COc1ncncc1NC(=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000184190787 533294626 /nfs/dbraw/zinc/29/46/26/533294626.db2.gz NIQMTNJZRXQWPB-UHFFFAOYSA-N 0 0 330.388 1.365 10 0 EDAERN COC(=O)[C@H]1CCC[C@H](C(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000174649911 533401325 /nfs/dbraw/zinc/40/13/25/533401325.db2.gz VIEXTXIJGUWVHP-KBPBESRZSA-N 0 0 346.431 1.859 10 0 EDAERN Cc1nc2ccc(C)cn2c1C(=O)N1CCN(c2ncccn2)CC1 ZINC000071468742 132814256 /nfs/dbraw/zinc/81/42/56/132814256.db2.gz ACWIURYUKBSZFQ-UHFFFAOYSA-N 0 0 336.399 1.704 10 0 EDAERN COc1cc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)cc(C)n1 ZINC000328647782 140667454 /nfs/dbraw/zinc/66/74/54/140667454.db2.gz HSGNXHZDSDQCFE-MRXNPFEDSA-N 0 0 344.415 1.753 10 0 EDAERN CCC(=O)N1CCC[C@H](C(=O)N2CCN[C@H](c3cccc(F)c3)C2)C1 ZINC000328652856 140667819 /nfs/dbraw/zinc/66/78/19/140667819.db2.gz KSTYCXPNOLVSOX-RDJZCZTQSA-N 0 0 347.434 1.947 10 0 EDAERN C[C@H]1CCO[C@H]1c1nnc(N2CCN(c3ccccc3)C(=O)C2)n1C ZINC000328787859 140675413 /nfs/dbraw/zinc/67/54/13/140675413.db2.gz JSKSGHHUFXIMSW-XJKSGUPXSA-N 0 0 341.415 1.766 10 0 EDAERN Cc1csc(N2CCC(C(=O)N3CC(c4nc(C)no4)C3)CC2)n1 ZINC000333017784 141250695 /nfs/dbraw/zinc/25/06/95/141250695.db2.gz HKQUROHYOOFMPW-UHFFFAOYSA-N 0 0 347.444 1.985 10 0 EDAERN CCN1CCN(S(=O)(=O)c2cnn3c2OCCC3)c2ccccc21 ZINC000333184218 141277596 /nfs/dbraw/zinc/27/75/96/141277596.db2.gz QJUYRUHINZFTHL-UHFFFAOYSA-N 0 0 348.428 1.701 10 0 EDAERN Cc1nccn1-c1cncc(N2C[C@@H](C)OC3(CCOCC3)C2)n1 ZINC000333272333 141290856 /nfs/dbraw/zinc/29/08/56/141290856.db2.gz HWHTXLOJKLIFBR-CYBMUJFWSA-N 0 0 329.404 1.745 10 0 EDAERN CS(=O)(=O)NC[C@H]1CCCN(c2ccc3c(n2)CCCC3=O)C1 ZINC000333502520 141327709 /nfs/dbraw/zinc/32/77/09/141327709.db2.gz CUSDJHUSZBUUEJ-GFCCVEGCSA-N 0 0 337.445 1.366 10 0 EDAERN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCN(Cc2ccon2)CC1 ZINC000333571740 141338784 /nfs/dbraw/zinc/33/87/84/141338784.db2.gz UEZARMMRYASPIH-WBVHZDCISA-N 0 0 334.464 1.972 10 0 EDAERN CNC(=O)C1CCC(NC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)CC1 ZINC000333739340 141370241 /nfs/dbraw/zinc/37/02/41/141370241.db2.gz LFBAGVUUWYWZNN-HNFMNYKYSA-N 0 0 337.464 1.890 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000185716152 292179852 /nfs/dbraw/zinc/17/98/52/292179852.db2.gz IBRSTTHGPQDBTR-QGZVFWFLSA-N 0 0 345.443 1.857 10 0 EDAERN COc1cc(N2CCC[C@]3(C2)c2ccccc2NC3=O)nc(N)n1 ZINC000072143590 286229407 /nfs/dbraw/zinc/22/94/07/286229407.db2.gz QZMHTRORYXBLLD-KRWDZBQOSA-N 0 0 325.372 1.558 10 0 EDAERN CCc1cnc(CN(C(C)=O)[C@H]2CCN(C(=O)C3(O)CCC3)C2)o1 ZINC000372253076 156289010 /nfs/dbraw/zinc/28/90/10/156289010.db2.gz AMOSYXCRRSTNFC-ZDUSSCGKSA-N 0 0 335.404 1.101 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC1(O)CCCCC1)CC2 ZINC000181752932 161516057 /nfs/dbraw/zinc/51/60/57/161516057.db2.gz ZEPTWRWGDQYFCH-CYBMUJFWSA-N 0 0 335.452 1.711 10 0 EDAERN COc1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cc1F ZINC000078555393 287294124 /nfs/dbraw/zinc/29/41/24/287294124.db2.gz HMIXHUWCCVNODZ-GFCCVEGCSA-N 0 0 325.384 1.354 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000091049775 287331929 /nfs/dbraw/zinc/33/19/29/287331929.db2.gz DUPGHUHPDCVBNX-RYUDHWBXSA-N 0 0 342.465 1.026 10 0 EDAERN O=C(c1ncn(-c2ccccc2)n1)N1CCO[C@H](c2nccs2)C1 ZINC000156523044 224660006 /nfs/dbraw/zinc/66/00/06/224660006.db2.gz UABYCGWCEZYZRZ-ZDUSSCGKSA-N 0 0 341.396 1.938 10 0 EDAERN NS(=O)(=O)CCCNc1cc(Cl)nc(-c2ccccc2)n1 ZINC000159063385 225139850 /nfs/dbraw/zinc/13/98/50/225139850.db2.gz PAMXZBPKPNQODQ-UHFFFAOYSA-N 0 0 326.809 1.888 10 0 EDAERN COc1ccc(Br)cc1Cn1cnc(S(N)(=O)=O)c1 ZINC000159382092 225206691 /nfs/dbraw/zinc/20/66/91/225206691.db2.gz GXDCEPASIFIROD-UHFFFAOYSA-N 0 0 346.206 1.350 10 0 EDAERN C[C@H]([C@@H](Cc1cccc(F)c1Br)NN)S(C)(=O)=O ZINC000160053213 225328235 /nfs/dbraw/zinc/32/82/35/225328235.db2.gz DHJHHGGXTBGIQK-GMSGAONNSA-N 0 0 339.230 1.396 10 0 EDAERN O=C1CC[C@@H]2CN(c3nc(Cl)ncc3Br)CC[C@H]2N1 ZINC000160515688 225427255 /nfs/dbraw/zinc/42/72/55/225427255.db2.gz WKWYMUDJNONQPS-VXNVDRBHSA-N 0 0 345.628 1.997 10 0 EDAERN Cc1ccc(CCNC(=O)N[C@H](C)c2nnc3n2CCCC3)cn1 ZINC000123756852 287390305 /nfs/dbraw/zinc/39/03/05/287390305.db2.gz QDASKAFUOWQYKL-CYBMUJFWSA-N 0 0 328.420 1.921 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000164282604 226061773 /nfs/dbraw/zinc/06/17/73/226061773.db2.gz ALZVWZOBAPTGIG-CYBMUJFWSA-N 0 0 328.376 1.382 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)Cc1cc(Br)cs1 ZINC000167123733 226179983 /nfs/dbraw/zinc/17/99/83/226179983.db2.gz RDPKFEOFPVUYJJ-SECBINFHSA-N 0 0 340.264 1.384 10 0 EDAERN C[C@H]1C[C@H]1CNS(=O)(=O)c1cc(Br)cnc1NN ZINC000167148106 226181921 /nfs/dbraw/zinc/18/19/21/226181921.db2.gz DKCACWGYAFJXPJ-BQBZGAKWSA-N 0 0 335.227 1.064 10 0 EDAERN Cc1nn(C)c(CC(=O)[C@H]2CCCCS2(=O)=O)c1Br ZINC000167336220 226187223 /nfs/dbraw/zinc/18/72/23/226187223.db2.gz TUQWNPZOOAONSY-LLVKDONJSA-N 0 0 349.250 1.570 10 0 EDAERN C[C@H](Cn1c2cccc(S(C)(=O)=O)c2[nH]c1=S)[S@@](C)=O ZINC000165561089 226129141 /nfs/dbraw/zinc/12/91/41/226129141.db2.gz ILASPAWUWRAEBF-YLVJLNSGSA-N 0 0 332.472 1.496 10 0 EDAERN Cc1c(N)cnc(NC[C@@H]2CCCS2(=O)=O)c1Br ZINC000165597227 226130240 /nfs/dbraw/zinc/13/02/40/226130240.db2.gz KHWMLPYGZABBGR-QMMMGPOBSA-N 0 0 334.239 1.724 10 0 EDAERN C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1ccc(Br)cc1N ZINC000165761867 226134999 /nfs/dbraw/zinc/13/49/99/226134999.db2.gz AMTVXRZWWAUBGH-ZETCQYMHSA-N 0 0 347.234 1.472 10 0 EDAERN COCC(C)(C)NS(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000167485503 226191636 /nfs/dbraw/zinc/19/16/36/226191636.db2.gz YCSVDNNIHCMALW-UHFFFAOYSA-N 0 0 336.866 1.678 10 0 EDAERN C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 ZINC000170562634 226626951 /nfs/dbraw/zinc/62/69/51/226626951.db2.gz UKQUMMQSVSVGBF-KGLIPLIRSA-N 0 0 331.416 1.137 10 0 EDAERN O=C(Cc1c[nH]c2ncccc12)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000120758661 221665999 /nfs/dbraw/zinc/66/59/99/221665999.db2.gz ZXEOEOBCPNDEEZ-CQSZACIVSA-N 0 0 336.399 1.681 10 0 EDAERN O=C(Nc1ccc(F)cc1I)[C@H]1CNC(=O)C1 ZINC000122297654 222056756 /nfs/dbraw/zinc/05/67/56/222056756.db2.gz DWIIUQCFRQWKTC-ZCFIWIBFSA-N 0 0 348.115 1.505 10 0 EDAERN O=C(NCCNC(=O)N1CCC(Cn2cccn2)CC1)c1ccco1 ZINC000122761494 222151529 /nfs/dbraw/zinc/15/15/29/222151529.db2.gz FGMWZJFJMQNGCJ-UHFFFAOYSA-N 0 0 345.403 1.328 10 0 EDAERN O=C(NCc1ccc(OC(F)F)cc1)N[C@H]1CCc2ncnn2C1 ZINC000171866074 227325735 /nfs/dbraw/zinc/32/57/35/227325735.db2.gz RHLVRYXOOYPAKS-NSHDSACASA-N 0 0 337.330 1.694 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@@]3(C)CCCO3)CCO2)n1 ZINC000133228173 287536290 /nfs/dbraw/zinc/53/62/90/287536290.db2.gz BTWSXJSQYKJQND-DOTOQJQBSA-N 0 0 336.436 1.479 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1c1ncc(I)cn1 ZINC000134505474 287556130 /nfs/dbraw/zinc/55/61/30/287556130.db2.gz JBNMAGCEGDPIBY-SECBINFHSA-N 0 0 346.172 1.138 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccccc1-n1ccnc1)C(C)C ZINC000192659923 272985240 /nfs/dbraw/zinc/98/52/40/272985240.db2.gz IEPOPHWASHZEHU-OAHLLOKOSA-N 0 0 329.404 1.442 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(Cc3cccnc3OC)CC2)n1 ZINC000193337194 272991147 /nfs/dbraw/zinc/99/11/47/272991147.db2.gz HWSHRTNEEYISSR-CYBMUJFWSA-N 0 0 331.420 1.914 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245457304 273015044 /nfs/dbraw/zinc/01/50/44/273015044.db2.gz JSPDTYWWQCHVDQ-ZNMIVQPWSA-N 0 0 346.431 1.541 10 0 EDAERN CCC1CCC(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000083712345 267402232 /nfs/dbraw/zinc/40/22/32/267402232.db2.gz UTIXQAPYGYKTQX-UYSNPLJNSA-N 0 0 327.469 1.290 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@]2(CCc3ccccc32)C1)C(C)C ZINC000178809748 267591444 /nfs/dbraw/zinc/59/14/44/267591444.db2.gz PIJOKDVJQWFPCE-VQIMIIECSA-N 0 0 345.443 1.641 10 0 EDAERN CN(C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1nncs1 ZINC000188849113 267764340 /nfs/dbraw/zinc/76/43/40/267764340.db2.gz YHUHPWWDUZVRDG-DTWKUNHWSA-N 0 0 330.385 1.848 10 0 EDAERN COC(=O)NCCC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091766598 272917124 /nfs/dbraw/zinc/91/71/24/272917124.db2.gz DUJWYJILCUSTDN-GXFFZTMASA-N 0 0 328.315 1.345 10 0 EDAERN C[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCCO1 ZINC000119926913 272925209 /nfs/dbraw/zinc/92/52/09/272925209.db2.gz YKHPIDJAYSMJPH-BBRMVZONSA-N 0 0 335.429 1.777 10 0 EDAERN CN1C(=O)C[C@H](C(=O)Nc2c[nH]c(C(N)=O)c2)[C@H]1c1ccc(F)cc1 ZINC000179088241 273864675 /nfs/dbraw/zinc/86/46/75/273864675.db2.gz BAOVAZCKQZDBSG-SWLSCSKDSA-N 0 0 344.346 1.411 10 0 EDAERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCCn2cc(C)cn2)C1 ZINC000246598030 287746099 /nfs/dbraw/zinc/74/60/99/287746099.db2.gz KADLEXRIMUDCBO-QLEMLULZSA-N 0 0 326.466 1.571 10 0 EDAERN COC[C@H](C)S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246628650 287747136 /nfs/dbraw/zinc/74/71/36/287747136.db2.gz IUWNIZYBLOHHAG-NURSFMCSSA-N 0 0 335.372 1.437 10 0 EDAERN CC(C)CN1c2cccnc2S[C@H](CC(=O)N2CCOCC2)C1=O ZINC000065172259 277417223 /nfs/dbraw/zinc/41/72/23/277417223.db2.gz NRNFEVIXQWRLQF-CQSZACIVSA-N 0 0 349.456 1.794 10 0 EDAERN CCN(CC)C(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000171705236 279084540 /nfs/dbraw/zinc/08/45/40/279084540.db2.gz GCHXFMYDFCBCHG-MRXNPFEDSA-N 0 0 348.447 1.621 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)CC1 ZINC000248481826 288108159 /nfs/dbraw/zinc/10/81/59/288108159.db2.gz ILUBWISBNGPQRA-YQQAZPJKSA-N 0 0 347.459 1.649 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000253191854 288108860 /nfs/dbraw/zinc/10/88/60/288108860.db2.gz XWUVONAGPWPNRJ-ULQDDVLXSA-N 0 0 341.496 1.678 10 0 EDAERN CC(C)N(CC(N)=O)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171790683 279415449 /nfs/dbraw/zinc/41/54/49/279415449.db2.gz CXHSYOOQWDIUEU-PBHICJAKSA-N 0 0 331.416 1.318 10 0 EDAERN CCS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000180315727 280030919 /nfs/dbraw/zinc/03/09/19/280030919.db2.gz NZNVOKDJJZPZGE-IUODEOHRSA-N 0 0 340.445 1.847 10 0 EDAERN C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2C)C[C@H]1N1CCOCC1 ZINC000246447046 288224650 /nfs/dbraw/zinc/22/46/50/288224650.db2.gz MNPSKORLAZJTRV-RHSMWYFYSA-N 0 0 342.443 1.086 10 0 EDAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329324297 280394044 /nfs/dbraw/zinc/39/40/44/280394044.db2.gz VLNTYBSIFNTLOP-IIDMSEBBSA-N 0 0 338.448 1.023 10 0 EDAERN Cc1ccccc1-c1nc(C(=O)N2CCOC[C@H]2C(N)=O)cs1 ZINC000091781995 281327400 /nfs/dbraw/zinc/32/74/00/281327400.db2.gz VBYJGDMFGHTREY-ZDUSSCGKSA-N 0 0 331.397 1.445 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1COCc2ccccc21 ZINC000333604185 289045871 /nfs/dbraw/zinc/04/58/71/289045871.db2.gz WYQWTPFGHHQXIJ-ZTFGCOKTSA-N 0 0 345.443 1.763 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1Cl)N1CCOCC1 ZINC000076599265 289635842 /nfs/dbraw/zinc/63/58/42/289635842.db2.gz GOMNPCKDGCONBF-SNVBAGLBSA-N 0 0 343.786 1.255 10 0 EDAERN C[C@H]([C@H](C)NC(=O)N[C@H]1CCOc2ccccc21)N1CCOCC1 ZINC000246335774 290204952 /nfs/dbraw/zinc/20/49/52/290204952.db2.gz BJSXVLOAZGZULZ-LZWOXQAQSA-N 0 0 333.432 1.919 10 0 EDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2cccc3c2OCCO3)cn1 ZINC000171431734 294298259 /nfs/dbraw/zinc/29/82/59/294298259.db2.gz QGCKGZKOOUJAHE-CYBMUJFWSA-N 0 0 349.412 1.717 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCCCC1=O ZINC000329104290 298293341 /nfs/dbraw/zinc/29/33/41/298293341.db2.gz DLPSPPMTJHACJR-QKPAOTATSA-N 0 0 338.448 1.166 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)CN2CCCC2=O)C1 ZINC000171002427 302941181 /nfs/dbraw/zinc/94/11/81/302941181.db2.gz PHTXJYFROLRGCZ-KBPBESRZSA-N 0 0 338.452 1.088 10 0 EDAERN NC(=O)NC(=O)CCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511437 303266533 /nfs/dbraw/zinc/26/65/33/303266533.db2.gz ZVLGSZBQRWUCPE-GFCCVEGCSA-N 0 0 334.424 1.117 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)/C=C\c3scnc3C)CCO2)c1 ZINC000492686692 305597061 /nfs/dbraw/zinc/59/70/61/305597061.db2.gz CSTXJWJKZGWUKO-VQTKUKTRSA-N 0 0 332.429 1.897 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000070705012 441116287 /nfs/dbraw/zinc/11/62/87/441116287.db2.gz QYCAOTRRCQLXBB-OAHLLOKOSA-N 0 0 339.461 1.895 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000046826087 441127725 /nfs/dbraw/zinc/12/77/25/441127725.db2.gz BYMVEBQOLYSTOL-VNHYZAJKSA-N 0 0 333.432 1.424 10 0 EDAERN COc1c(F)cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1F ZINC000071065454 441137862 /nfs/dbraw/zinc/13/78/62/441137862.db2.gz SQSIPNURZNUHKH-PELKAZGASA-N 0 0 328.315 1.596 10 0 EDAERN COc1ccc(C(=O)N[C@H](C)C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000017057156 441235402 /nfs/dbraw/zinc/23/54/02/441235402.db2.gz VEJSYVRERMITSD-LLVKDONJSA-N 0 0 340.445 1.910 10 0 EDAERN O[C@H](COCc1ccccc1)CN1CCN(c2cnccn2)CC1 ZINC000058575674 441203935 /nfs/dbraw/zinc/20/39/35/441203935.db2.gz OKRRVSOZAKBARZ-KRWDZBQOSA-N 0 0 328.416 1.176 10 0 EDAERN COC(=O)C1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1 ZINC000015924801 441213371 /nfs/dbraw/zinc/21/33/71/441213371.db2.gz HXWNMTMHLQOLCP-UHFFFAOYSA-N 0 0 338.791 1.481 10 0 EDAERN CCc1noc([C@H](C)N2CCN(CC(=O)N[C@H](C)C(C)C)CC2)n1 ZINC000105865133 441295319 /nfs/dbraw/zinc/29/53/19/441295319.db2.gz AUBCOEBBZSNCMQ-KGLIPLIRSA-N 0 0 337.468 1.471 10 0 EDAERN COc1ccc(OC)c(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000105810236 441275823 /nfs/dbraw/zinc/27/58/23/441275823.db2.gz NJEBDNGRVMFHTC-UHFFFAOYSA-N 0 0 342.399 1.846 10 0 EDAERN COc1cccc(CC(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000105809947 441276206 /nfs/dbraw/zinc/27/62/06/441276206.db2.gz AKGUIYLZZOTWGC-UHFFFAOYSA-N 0 0 326.400 1.767 10 0 EDAERN CCc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)NCC(C)C)CC2)n1 ZINC000105865186 441295771 /nfs/dbraw/zinc/29/57/71/441295771.db2.gz KPBPROPBGXFYQS-UONOGXRCSA-N 0 0 337.468 1.471 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CCC(=O)NC3CCCC3)CC2)n1 ZINC000105865425 441296005 /nfs/dbraw/zinc/29/60/05/441296005.db2.gz IHSMCJSSKFQGGO-CQSZACIVSA-N 0 0 349.479 1.760 10 0 EDAERN COCCN1CCN(CC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000105832179 441285448 /nfs/dbraw/zinc/28/54/48/441285448.db2.gz ITYNOLXMKXTSQF-MRXNPFEDSA-N 0 0 331.460 1.618 10 0 EDAERN COCCN1CCN(CC(=O)N(Cc2ccccc2)C2CC2)C[C@@H]1C ZINC000105834073 441286665 /nfs/dbraw/zinc/28/66/65/441286665.db2.gz GOONDNSSIBSTHL-KRWDZBQOSA-N 0 0 345.487 1.830 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000081579834 441292990 /nfs/dbraw/zinc/29/29/90/441292990.db2.gz WPPPBXSLSCLDON-AWEZNQCLSA-N 0 0 331.351 1.949 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000081581020 441292998 /nfs/dbraw/zinc/29/29/98/441292998.db2.gz HOCPYGYTDDBDSS-CQSZACIVSA-N 0 0 327.388 1.419 10 0 EDAERN Cc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1S(C)(=O)=O ZINC000105854642 441293050 /nfs/dbraw/zinc/29/30/50/441293050.db2.gz PDJQFSDFBXVLEA-CQSZACIVSA-N 0 0 348.428 1.467 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1S(C)(=O)=O ZINC000081580278 441293253 /nfs/dbraw/zinc/29/32/53/441293253.db2.gz IHNIJDIQBYETAS-GFCCVEGCSA-N 0 0 334.401 1.255 10 0 EDAERN CCCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081584577 441293987 /nfs/dbraw/zinc/29/39/87/441293987.db2.gz DOMLSEJBAPQLRK-RYUDHWBXSA-N 0 0 337.449 1.239 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000081583961 441294027 /nfs/dbraw/zinc/29/40/27/441294027.db2.gz OUTYKBIYGCNGLM-CQSZACIVSA-N 0 0 340.387 1.381 10 0 EDAERN CCCNC(=O)[C@@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000106153841 441328363 /nfs/dbraw/zinc/32/83/63/441328363.db2.gz VBGXSNDQLMZOAF-CQSZACIVSA-N 0 0 335.452 1.220 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 ZINC000106395460 441338621 /nfs/dbraw/zinc/33/86/21/441338621.db2.gz WASWUQLGBVEKTL-ZDUSSCGKSA-N 0 0 345.399 1.164 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000106403377 441341468 /nfs/dbraw/zinc/34/14/68/441341468.db2.gz DWQXGVOGCWIWEU-OAHLLOKOSA-N 0 0 346.406 1.745 10 0 EDAERN CCCCc1nc(CN2CCCN(Cc3cnn(C)c3)CC2)no1 ZINC000105870010 441300110 /nfs/dbraw/zinc/30/01/10/441300110.db2.gz XENXGNINQKXCBJ-UHFFFAOYSA-N 0 0 332.452 1.854 10 0 EDAERN CCNC(=O)CCCC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000105875162 441303575 /nfs/dbraw/zinc/30/35/75/441303575.db2.gz HNCCKOPBXLNMSU-UHFFFAOYSA-N 0 0 349.479 1.244 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105882958 441305817 /nfs/dbraw/zinc/30/58/17/441305817.db2.gz COGAKGFUOFUJCI-OAHLLOKOSA-N 0 0 343.431 1.946 10 0 EDAERN COc1ccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105888821 441307753 /nfs/dbraw/zinc/30/77/53/441307753.db2.gz LLFSZTRWUQYWDO-MRXNPFEDSA-N 0 0 330.388 1.231 10 0 EDAERN Cc1ccccc1CNC(=O)[C@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889887 441308850 /nfs/dbraw/zinc/30/88/50/441308850.db2.gz MDBYEMVXJPGLCA-WMZOPIPTSA-N 0 0 342.443 1.597 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)NCc3sccc3C)CCO2)c1 ZINC000105892699 441310132 /nfs/dbraw/zinc/31/01/32/441310132.db2.gz VYAHLOXHGAYKQR-OAHLLOKOSA-N 0 0 348.472 1.579 10 0 EDAERN COC(=O)c1occc1CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893483 441310513 /nfs/dbraw/zinc/31/05/13/441310513.db2.gz IVJUYMBRPUGBMK-HNNXBMFYSA-N 0 0 333.388 1.781 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000105903335 441313562 /nfs/dbraw/zinc/31/35/62/441313562.db2.gz XKKFYPSXSCOLSW-KBPBESRZSA-N 0 0 326.441 1.097 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000083755068 441375110 /nfs/dbraw/zinc/37/51/10/441375110.db2.gz DRXLGSKJSPFPRO-CYBMUJFWSA-N 0 0 331.351 1.624 10 0 EDAERN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1Br ZINC000028878840 441439404 /nfs/dbraw/zinc/43/94/04/441439404.db2.gz XNODORHFKXGHNM-RKDXNWHRSA-N 0 0 328.210 1.944 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@H](NC(=O)OC)C(C)C)CC1 ZINC000108278672 441440727 /nfs/dbraw/zinc/44/07/27/441440727.db2.gz FPZDQGSTFYVJHM-CYBMUJFWSA-N 0 0 337.424 1.385 10 0 EDAERN C[C@H](CNC(=O)CCC(=O)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000087087675 441480036 /nfs/dbraw/zinc/48/00/36/441480036.db2.gz JYIKAYDPQWWJEH-GFCCVEGCSA-N 0 0 340.370 1.765 10 0 EDAERN COCCCNC(=O)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109094299 441488310 /nfs/dbraw/zinc/48/83/10/441488310.db2.gz APMITYBPERGAIZ-QWHCGFSZSA-N 0 0 340.370 1.679 10 0 EDAERN O=C(NCCCN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109125048 441489368 /nfs/dbraw/zinc/48/93/68/441489368.db2.gz WSGJXLOWMHKLFB-NWDGAFQWSA-N 0 0 336.338 1.724 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(c3ncc(C(N)=O)cc3Cl)C2)n1 ZINC000109320740 441495164 /nfs/dbraw/zinc/49/51/64/441495164.db2.gz RQTWNIHVPNKOOQ-LBPRGKRZSA-N 0 0 348.838 1.959 10 0 EDAERN O=C(NC[C@H]1Cc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111837076 441542150 /nfs/dbraw/zinc/54/21/50/441542150.db2.gz JSRZUTLYHLVPKJ-CVEARBPZSA-N 0 0 326.400 1.633 10 0 EDAERN COc1ccc(-n2nnc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)cc1 ZINC000032633745 441562485 /nfs/dbraw/zinc/56/24/85/441562485.db2.gz LSLMTPRTNZPZER-VXGBXAGGSA-N 0 0 330.388 1.834 10 0 EDAERN Cn1cc(CC(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)cn1 ZINC000113858756 441625428 /nfs/dbraw/zinc/62/54/28/441625428.db2.gz WJQLGCBRKBHNLD-UHFFFAOYSA-N 0 0 344.463 1.259 10 0 EDAERN CCOCc1nn2c(nc(COC(=O)CC(C)C)cc2=O)s1 ZINC000041077289 441631629 /nfs/dbraw/zinc/63/16/29/441631629.db2.gz MPVJVSPFAYPFCH-UHFFFAOYSA-N 0 0 325.390 1.777 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000076586548 441661208 /nfs/dbraw/zinc/66/12/08/441661208.db2.gz VKJBSHWGWHZKGH-GFCCVEGCSA-N 0 0 337.395 1.762 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)CC2 ZINC000114868475 441693864 /nfs/dbraw/zinc/69/38/64/441693864.db2.gz QVGGHUYPCDOMPW-AWEZNQCLSA-N 0 0 347.463 1.166 10 0 EDAERN O=C(NCCCc1ccccc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121490384 441716994 /nfs/dbraw/zinc/71/69/94/441716994.db2.gz RUCXKYOLLBFIFV-XLIONFOSSA-N 0 0 344.455 1.889 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1Br)[C@@H]1CCCO1 ZINC000091194647 441672253 /nfs/dbraw/zinc/67/22/53/441672253.db2.gz GCWXXSVFFTZGFZ-SCZZXKLOSA-N 0 0 342.193 1.466 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@H](C)C2CC2)ncn1 ZINC000173426895 441745773 /nfs/dbraw/zinc/74/57/73/441745773.db2.gz URGVIPHJXMPFCO-OCCSQVGLSA-N 0 0 332.452 1.927 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)NCCS(C)(=O)=O)C2)n1 ZINC000173466404 441760731 /nfs/dbraw/zinc/76/07/31/441760731.db2.gz ATEACLHVPHTZFS-NSHDSACASA-N 0 0 331.463 1.385 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)NCCNC(=O)C3CC3)C2)n1 ZINC000173478476 441764503 /nfs/dbraw/zinc/76/45/03/441764503.db2.gz VFCCZQNAHPUUQN-CYBMUJFWSA-N 0 0 336.461 1.867 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NCCc3cccs3)CCO2)[nH]1 ZINC000173355939 441722015 /nfs/dbraw/zinc/72/20/15/441722015.db2.gz ZUNVEQQQXMYCPU-FZMZJTMJSA-N 0 0 349.460 1.295 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)N(C)C3CCCCC3)CCO2)[nH]1 ZINC000173356934 441722165 /nfs/dbraw/zinc/72/21/65/441722165.db2.gz DHSWPYBSAOAMEH-WFASDCNBSA-N 0 0 335.452 1.666 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000136805142 441724163 /nfs/dbraw/zinc/72/41/63/441724163.db2.gz BPHXUWZRFBHSKS-AWEZNQCLSA-N 0 0 342.399 1.933 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000136805084 441724487 /nfs/dbraw/zinc/72/44/87/441724487.db2.gz BPHXUWZRFBHSKS-CQSZACIVSA-N 0 0 342.399 1.933 10 0 EDAERN CCOc1cc(N2CCC(O)CC2)cc2sc(C(N)=O)c(N)c21 ZINC000136903274 441730204 /nfs/dbraw/zinc/73/02/04/441730204.db2.gz RTEOOCINWHEOLE-UHFFFAOYSA-N 0 0 335.429 1.942 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)C3CCCC3)C2=O)n(C)n1 ZINC000173556884 441790539 /nfs/dbraw/zinc/79/05/39/441790539.db2.gz PFPBAHSXIOMROO-CQSZACIVSA-N 0 0 333.436 1.808 10 0 EDAERN CC(C)c1csc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000121858302 441796887 /nfs/dbraw/zinc/79/68/87/441796887.db2.gz KGWSPXFZTQVURV-LBPRGKRZSA-N 0 0 326.466 1.739 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@H](C)c1c(C)n[nH]c1C)CC2 ZINC000159262569 441798683 /nfs/dbraw/zinc/79/86/83/441798683.db2.gz ZNABWIDZOLUTRP-GWCFXTLKSA-N 0 0 330.436 1.805 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)NC(=O)Nc3ccccc3)C2)cn1 ZINC000116310744 441812213 /nfs/dbraw/zinc/81/22/13/441812213.db2.gz AUTQQHNRGCIKAF-CYBMUJFWSA-N 0 0 327.388 1.558 10 0 EDAERN CC(C)[C@H](NC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173927420 441863299 /nfs/dbraw/zinc/86/32/99/441863299.db2.gz OJAGDBJZCFRXRR-ICSRJNTNSA-N 0 0 345.487 1.906 10 0 EDAERN COC(=O)c1cn(Cc2cc(Br)ccc2OC)nn1 ZINC000068919173 441868700 /nfs/dbraw/zinc/86/87/00/441868700.db2.gz LEWGNEALSRSQST-UHFFFAOYSA-N 0 0 326.150 1.884 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116493846 441826677 /nfs/dbraw/zinc/82/66/77/441826677.db2.gz XKPCLTQEKXZBBB-ZDUSSCGKSA-N 0 0 327.388 1.849 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cccc4cnccc43)C2)cn1 ZINC000116586995 441831548 /nfs/dbraw/zinc/83/15/48/441831548.db2.gz LRYWTIYTYTVGRE-CQSZACIVSA-N 0 0 349.394 1.923 10 0 EDAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116578066 441831942 /nfs/dbraw/zinc/83/19/42/441831942.db2.gz DKEQPPHBYYZNAH-AWEZNQCLSA-N 0 0 341.367 1.941 10 0 EDAERN Cc1nccn1-c1cncc(N2CCC(C(=O)N3CCCC3)CC2)n1 ZINC000092886682 441835967 /nfs/dbraw/zinc/83/59/67/441835967.db2.gz RGEBBGONXHMXJV-UHFFFAOYSA-N 0 0 340.431 1.810 10 0 EDAERN O=C(NCCCOCC(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000173784863 441840429 /nfs/dbraw/zinc/84/04/29/441840429.db2.gz FQHQKOVJCCHNNT-GFCCVEGCSA-N 0 0 339.358 1.072 10 0 EDAERN CCOc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1OC ZINC000173812183 441844810 /nfs/dbraw/zinc/84/48/10/441844810.db2.gz SQNLVWWLOMKPLZ-ZBFHGGJFSA-N 0 0 348.443 1.887 10 0 EDAERN CCc1ccccc1OCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173870852 441853420 /nfs/dbraw/zinc/85/34/20/441853420.db2.gz ZDHMXAWZJFGZDY-RDJZCZTQSA-N 0 0 332.444 1.807 10 0 EDAERN COC(=O)c1cc(Cl)c2nc(Cl)nc(N3CCOCC3)c2n1 ZINC000147436538 441908023 /nfs/dbraw/zinc/90/80/23/441908023.db2.gz RZMSLOBVGSDXOS-UHFFFAOYSA-N 0 0 343.170 1.955 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000069460926 441943790 /nfs/dbraw/zinc/94/37/90/441943790.db2.gz ABFJHYYHGABMNS-UKRRQHHQSA-N 0 0 335.379 1.959 10 0 EDAERN COc1ncc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1C(N)=O ZINC000125061403 441979307 /nfs/dbraw/zinc/97/93/07/441979307.db2.gz RBFGSSXPZVXFPG-NWDGAFQWSA-N 0 0 342.399 1.867 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000125221930 441999621 /nfs/dbraw/zinc/99/96/21/441999621.db2.gz GIIXMZMKKLDGRJ-CQSZACIVSA-N 0 0 343.383 1.337 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)c2cc(S(C)(=O)=O)cs2)cn1 ZINC000125096023 441983113 /nfs/dbraw/zinc/98/31/13/441983113.db2.gz XWFMWQWYHTWKKV-GFCCVEGCSA-N 0 0 339.442 1.862 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)no1 ZINC000120091930 442005884 /nfs/dbraw/zinc/00/58/84/442005884.db2.gz YCQLKEIWGFPIJI-QWRGUYRKSA-N 0 0 344.371 1.619 10 0 EDAERN CO[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1 ZINC000175121107 442007211 /nfs/dbraw/zinc/00/72/11/442007211.db2.gz SCONGCORUZHPIM-KGLIPLIRSA-N 0 0 349.822 1.933 10 0 EDAERN CO[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)c1cccc(Cl)c1 ZINC000175121156 442007728 /nfs/dbraw/zinc/00/77/28/442007728.db2.gz SCONGCORUZHPIM-UONOGXRCSA-N 0 0 349.822 1.933 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000151126021 442009986 /nfs/dbraw/zinc/00/99/86/442009986.db2.gz GSOQHUGDOVBRLA-DNVCBOLYSA-N 0 0 346.427 1.579 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000175168273 442011616 /nfs/dbraw/zinc/01/16/16/442011616.db2.gz ZWDVKUBRJVQYGV-VNQPRFMTSA-N 0 0 333.432 1.935 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CSCN1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161893326 442042099 /nfs/dbraw/zinc/04/20/99/442042099.db2.gz BWNMAQUCWSSHME-KCJUWKMLSA-N 0 0 332.422 1.069 10 0 EDAERN Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000120306140 442047197 /nfs/dbraw/zinc/04/71/97/442047197.db2.gz ZDYPDYKTCHOOMQ-DOMZBBRYSA-N 0 0 336.436 1.511 10 0 EDAERN O[C@@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccc(F)cc1 ZINC000069814745 442047642 /nfs/dbraw/zinc/04/76/42/442047642.db2.gz NRFYXGJLTQNVBN-HNNXBMFYSA-N 0 0 342.378 1.119 10 0 EDAERN COCc1cccc(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000175369716 442051695 /nfs/dbraw/zinc/05/16/95/442051695.db2.gz KATSBDLXQWPOFZ-OAHLLOKOSA-N 0 0 345.403 1.543 10 0 EDAERN CC(C)CCCNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000120400899 442063696 /nfs/dbraw/zinc/06/36/96/442063696.db2.gz OMINCSNEIGRSJU-GFCCVEGCSA-N 0 0 337.445 1.666 10 0 EDAERN Cn1cnnc1[C@@H]1CCCN1C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000120405891 442065282 /nfs/dbraw/zinc/06/52/82/442065282.db2.gz OGBCWBRGWPGZFS-STQMWFEESA-N 0 0 349.435 1.736 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CCO2)[nH]1 ZINC000175458661 442067109 /nfs/dbraw/zinc/06/71/09/442067109.db2.gz JQWXDRGUFOEOIC-KFWWJZLASA-N 0 0 345.378 1.891 10 0 EDAERN COC[C@@H](NC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000175491485 442073329 /nfs/dbraw/zinc/07/33/29/442073329.db2.gz AWSFNVNQELZMJO-CABCVRRESA-N 0 0 345.403 1.584 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cc(F)ccc3F)CCO2)[nH]1 ZINC000175506681 442076329 /nfs/dbraw/zinc/07/63/29/442076329.db2.gz TYTRLPFOZDZCGL-ZDUSSCGKSA-N 0 0 337.330 1.674 10 0 EDAERN CC[C@@H]1CCN(C(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)C1 ZINC000120464987 442077736 /nfs/dbraw/zinc/07/77/36/442077736.db2.gz GXNIDOLUSGEEGP-VXGBXAGGSA-N 0 0 335.429 1.372 10 0 EDAERN COc1ccccc1CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175626306 442095686 /nfs/dbraw/zinc/09/56/86/442095686.db2.gz BNIJEERHZKFVNL-DOTOQJQBSA-N 0 0 347.459 1.600 10 0 EDAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151592120 442088776 /nfs/dbraw/zinc/08/87/76/442088776.db2.gz KWZDLUOBHUWKTR-NHYWBVRUSA-N 0 0 342.417 1.003 10 0 EDAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151591983 442088887 /nfs/dbraw/zinc/08/88/87/442088887.db2.gz KWZDLUOBHUWKTR-ABAIWWIYSA-N 0 0 342.417 1.003 10 0 EDAERN CCOC(=O)NCCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175710267 442109058 /nfs/dbraw/zinc/10/90/58/442109058.db2.gz OSCKOVDBSDCDHC-UHFFFAOYSA-N 0 0 336.392 1.969 10 0 EDAERN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000175717460 442111044 /nfs/dbraw/zinc/11/10/44/442111044.db2.gz UKGGMNWZZGFPPC-GXTWGEPZSA-N 0 0 343.387 1.544 10 0 EDAERN COC[C@@H](NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)c1ccco1 ZINC000175736950 442113127 /nfs/dbraw/zinc/11/31/27/442113127.db2.gz YTFFSNFWOUIWJF-HUUCEWRRSA-N 0 0 348.403 1.583 10 0 EDAERN Cc1cccc(CCNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175734796 442113450 /nfs/dbraw/zinc/11/34/50/442113450.db2.gz BXZQLULESYCILG-SJLPKXTDSA-N 0 0 331.460 1.900 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CCC1CC1 ZINC000126531533 442119851 /nfs/dbraw/zinc/11/98/51/442119851.db2.gz SUGOZXLOWKGPNG-NSHDSACASA-N 0 0 335.429 1.372 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1cccc(F)c1 ZINC000175862537 442136055 /nfs/dbraw/zinc/13/60/55/442136055.db2.gz XKIFMYOKFKGOHI-LLVKDONJSA-N 0 0 338.379 1.744 10 0 EDAERN COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000175863714 442137630 /nfs/dbraw/zinc/13/76/30/442137630.db2.gz YZHQURPQNXZKRO-KBPBESRZSA-N 0 0 345.403 1.463 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000175887551 442141092 /nfs/dbraw/zinc/14/10/92/442141092.db2.gz PBSHXDUZRFJTJH-OCCSQVGLSA-N 0 0 329.408 1.734 10 0 EDAERN COc1ccc(C(=O)CCC(=O)NC[C@@H]2CN(C)CCO2)cc1F ZINC000175907360 442143729 /nfs/dbraw/zinc/14/37/29/442143729.db2.gz GIFJDQBNJKRCQD-CYBMUJFWSA-N 0 0 338.379 1.244 10 0 EDAERN O=C(NCc1nccs1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000079951975 442101049 /nfs/dbraw/zinc/10/10/49/442101049.db2.gz BYTSONQWOQASBT-LLVKDONJSA-N 0 0 337.426 1.861 10 0 EDAERN O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000152126225 442168268 /nfs/dbraw/zinc/16/82/68/442168268.db2.gz PELKZARDPKXQPQ-WBMJQRKESA-N 0 0 330.363 1.660 10 0 EDAERN Cc1cccc(Cn2nccc2NC(=O)C(=O)N2CCC[C@H]2CO)c1 ZINC000121032939 442168941 /nfs/dbraw/zinc/16/89/41/442168941.db2.gz QROKVBLXMMXCRM-HNNXBMFYSA-N 0 0 342.399 1.162 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1occc1Br)CC2 ZINC000176085750 442174212 /nfs/dbraw/zinc/17/42/12/442174212.db2.gz GFPNGGCBQRCYNX-QMMMGPOBSA-N 0 0 339.193 1.941 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1n[nH]c2c1CCCC2 ZINC000127178533 442178412 /nfs/dbraw/zinc/17/84/12/442178412.db2.gz KLWCJQFUKMVLQE-GFCCVEGCSA-N 0 0 330.392 1.291 10 0 EDAERN Cc1cc(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)[nH]n1 ZINC000152333328 442198795 /nfs/dbraw/zinc/19/87/95/442198795.db2.gz LENHUNISHVURES-QGZVFWFLSA-N 0 0 328.416 1.138 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000121283940 442199406 /nfs/dbraw/zinc/19/94/06/442199406.db2.gz KHCIPDMAJQXIJB-LBPRGKRZSA-N 0 0 337.807 1.714 10 0 EDAERN O=C(NCCNC(=O)c1cccs1)N[C@@H]1CCCC[C@@H]1CO ZINC000175954215 442152872 /nfs/dbraw/zinc/15/28/72/442152872.db2.gz HTRQXTNHLGBLFT-VXGBXAGGSA-N 0 0 325.434 1.328 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000126954711 442157029 /nfs/dbraw/zinc/15/70/29/442157029.db2.gz KDAAHYXGAIFYEV-ZDUSSCGKSA-N 0 0 349.435 1.937 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000163316393 442157754 /nfs/dbraw/zinc/15/77/54/442157754.db2.gz ZDLJEOPGZXZILJ-HNNXBMFYSA-N 0 0 341.839 1.486 10 0 EDAERN CC(C)C[C@H](CCO)CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000120960530 442157762 /nfs/dbraw/zinc/15/77/62/442157762.db2.gz GWAGCOUUUCKITG-YESZJQIVSA-N 0 0 341.496 1.393 10 0 EDAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc(C)no1 ZINC000170727802 442253310 /nfs/dbraw/zinc/25/33/10/442253310.db2.gz ZLAFPOMLUSAFHG-NSHDSACASA-N 0 0 326.397 1.730 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC000176778323 442256586 /nfs/dbraw/zinc/25/65/86/442256586.db2.gz AAGRIKKAFDBTNJ-GWCFXTLKSA-N 0 0 327.450 1.381 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cnn3c1CCCC3)CC2 ZINC000127508517 442207722 /nfs/dbraw/zinc/20/77/22/442207722.db2.gz MRNACXNDGCIFLU-GFCCVEGCSA-N 0 0 328.420 1.679 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc(-n2cccn2)cc1 ZINC000176435695 442221935 /nfs/dbraw/zinc/22/19/35/442221935.db2.gz UVELNCFQTAADHO-RHSMWYFYSA-N 0 0 343.431 1.563 10 0 EDAERN Cn1cc(CC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cn1 ZINC000176446798 442223484 /nfs/dbraw/zinc/22/34/84/442223484.db2.gz YEILCJLUCRNIIG-AWEZNQCLSA-N 0 0 328.420 1.644 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000127757903 442223889 /nfs/dbraw/zinc/22/38/89/442223889.db2.gz WTTLCHSWYUHWCU-LBPRGKRZSA-N 0 0 338.371 1.342 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000127884609 442231482 /nfs/dbraw/zinc/23/14/82/442231482.db2.gz VNSQJBXZCPPBSR-INIZCTEOSA-N 0 0 330.388 1.680 10 0 EDAERN COc1c(C)cnc(CN(C)C(=O)N[C@@H]2CCCn3ncnc32)c1C ZINC000176609807 442239850 /nfs/dbraw/zinc/23/98/50/442239850.db2.gz FOIXUVRMMWIOAG-CYBMUJFWSA-N 0 0 344.419 1.975 10 0 EDAERN COc1ccc(CCNC(=O)N[C@@H]2CCCn3ncnc32)cc1OC ZINC000176834897 442262818 /nfs/dbraw/zinc/26/28/18/442262818.db2.gz HDHYGMHSGDTPBH-CYBMUJFWSA-N 0 0 345.403 1.672 10 0 EDAERN O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000153411998 442281729 /nfs/dbraw/zinc/28/17/29/442281729.db2.gz NSEQYAGTXXEJIP-SDDRHHMPSA-N 0 0 329.368 1.762 10 0 EDAERN CC(=O)N1CCC(CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000170892170 442284368 /nfs/dbraw/zinc/28/43/68/442284368.db2.gz ZBADQJHHYHXLIX-ZDUSSCGKSA-N 0 0 346.431 1.571 10 0 EDAERN COc1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1OC ZINC000170897584 442285382 /nfs/dbraw/zinc/28/53/82/442285382.db2.gz ZJNUDHOTYAALLN-CQSZACIVSA-N 0 0 345.403 1.842 10 0 EDAERN O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)NC(=O)NCC(F)(F)F ZINC000177034187 442288296 /nfs/dbraw/zinc/28/82/96/442288296.db2.gz ZHPORCPZBSGAKX-UHFFFAOYSA-N 0 0 347.341 1.367 10 0 EDAERN CCc1nc2n(n1)C[C@H](Nc1cc(N3CCC[C@@H]3CO)ncn1)CC2 ZINC000170999813 442297308 /nfs/dbraw/zinc/29/73/08/442297308.db2.gz QJVALGOPIWDKBH-CHWSQXEVSA-N 0 0 343.435 1.019 10 0 EDAERN O=C(CN1CSCC1=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128299869 442258229 /nfs/dbraw/zinc/25/82/29/442258229.db2.gz CFUDJEWCXHICQM-NSHDSACASA-N 0 0 332.347 1.809 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177279943 442324308 /nfs/dbraw/zinc/32/43/08/442324308.db2.gz BPAVPXRMRUUYEO-NVXWUHKLSA-N 0 0 347.459 1.595 10 0 EDAERN O=C(CCCNC(=O)c1ccc(F)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177528260 442353843 /nfs/dbraw/zinc/35/38/43/442353843.db2.gz ABMSMZDOLQQKHR-CQSZACIVSA-N 0 0 345.378 1.579 10 0 EDAERN CS(=O)(=O)CCCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000154321972 442332828 /nfs/dbraw/zinc/33/28/28/442332828.db2.gz FOWMLFSDYBXWNC-OLZOCXBDSA-N 0 0 329.418 1.519 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000171287654 442339033 /nfs/dbraw/zinc/33/90/33/442339033.db2.gz GGAXWDQKKMLMFD-CQSZACIVSA-N 0 0 331.441 1.794 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cnc(Cc3ccccc3)s2)C1 ZINC000130275321 442342805 /nfs/dbraw/zinc/34/28/05/442342805.db2.gz JWTJZVAXKJGWIX-CQSZACIVSA-N 0 0 331.441 1.794 10 0 EDAERN O=C(NCc1ccc(CO)c(F)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177473127 442346230 /nfs/dbraw/zinc/34/62/30/442346230.db2.gz MHXIPLZYFOJYEG-OAHLLOKOSA-N 0 0 332.379 1.889 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)CO[C@@H]1CCOC1)C(C)C ZINC000177481319 442348065 /nfs/dbraw/zinc/34/80/65/442348065.db2.gz BMDGZTSYMDOAGG-LZWOXQAQSA-N 0 0 328.453 1.484 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000177158669 442307294 /nfs/dbraw/zinc/30/72/94/442307294.db2.gz YGVORPSDLOFLTB-ZDUSSCGKSA-N 0 0 337.383 1.733 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)[C@@H]3CSCCS3)CC2)cn1 ZINC000177191880 442311969 /nfs/dbraw/zinc/31/19/69/442311969.db2.gz ITVIYSUQLWKICT-AWEZNQCLSA-N 0 0 340.518 1.303 10 0 EDAERN O=C(Nc1ccc(Cl)cc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177625113 442364213 /nfs/dbraw/zinc/36/42/13/442364213.db2.gz JJCNZYWBLBONPD-VIFPVBQESA-N 0 0 337.742 1.140 10 0 EDAERN Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177630447 442364864 /nfs/dbraw/zinc/36/48/64/442364864.db2.gz FQFAMDKAXQXBQL-ZDUSSCGKSA-N 0 0 341.415 1.780 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C(=O)Nc3cccnc3)C2)n1 ZINC000177649204 442366813 /nfs/dbraw/zinc/36/68/13/442366813.db2.gz FCBZZVUXBVJOMD-AWEZNQCLSA-N 0 0 342.403 1.167 10 0 EDAERN Cc1ccc(-c2noc([C@@H](C)S(=O)(=O)C[C@H](O)CO)n2)cc1F ZINC000177673844 442368694 /nfs/dbraw/zinc/36/86/94/442368694.db2.gz SUXZTVDMFXMWQP-MWLCHTKSSA-N 0 0 344.364 1.013 10 0 EDAERN O=S(=O)(Cc1ncc(-c2ccc(Cl)cc2)o1)C[C@H](O)CO ZINC000177673930 442368906 /nfs/dbraw/zinc/36/89/06/442368906.db2.gz FWZHMYSJKURZBT-LLVKDONJSA-N 0 0 331.777 1.263 10 0 EDAERN C[C@H]1CN(CC(=O)N2CCN(c3ccccc3F)CC2)CCS1 ZINC000171691875 442370445 /nfs/dbraw/zinc/37/04/45/442370445.db2.gz KSCDJFSCRVBIPD-AWEZNQCLSA-N 0 0 337.464 1.912 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1ncc[nH]1 ZINC000171754590 442377680 /nfs/dbraw/zinc/37/76/80/442377680.db2.gz FMAQVZVCUWBVCO-CZUORRHYSA-N 0 0 328.416 1.913 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177780166 442383430 /nfs/dbraw/zinc/38/34/30/442383430.db2.gz DSWRCZOSFCOVMV-CQSZACIVSA-N 0 0 348.428 1.096 10 0 EDAERN C[C@H](NC(=O)NCCCNC(=O)c1cccs1)[C@@H]1CCCO1 ZINC000131999807 442384988 /nfs/dbraw/zinc/38/49/88/442384988.db2.gz FAZHEJXHANMCFW-RYUDHWBXSA-N 0 0 325.434 1.735 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCC3CCOCC3)CC2)cn1 ZINC000171869877 442386356 /nfs/dbraw/zinc/38/63/56/442386356.db2.gz XFGHHJYQHWJXMO-UHFFFAOYSA-N 0 0 349.479 1.547 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177809705 442387643 /nfs/dbraw/zinc/38/76/43/442387643.db2.gz FEBCBHKSKJDPCD-CJNGLKHVSA-N 0 0 346.431 1.278 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCN3CCOCC3(C)C)C2)c1 ZINC000171907134 442389227 /nfs/dbraw/zinc/38/92/27/442389227.db2.gz UFRCDSRKTROLAQ-MRXNPFEDSA-N 0 0 349.479 1.649 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1cccc(C)c1 ZINC000155416796 442396496 /nfs/dbraw/zinc/39/64/96/442396496.db2.gz JHRAOBBRMYUMGP-AWEZNQCLSA-N 0 0 330.388 1.763 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc3c(C)nn(C)c3s2)n1 ZINC000155461028 442400271 /nfs/dbraw/zinc/40/02/71/442400271.db2.gz SQFGBTSDMFMFEB-NSHDSACASA-N 0 0 347.400 1.848 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2coc(Br)c2)n1 ZINC000155463044 442400332 /nfs/dbraw/zinc/40/03/32/442400332.db2.gz OQEPCLBYBLPPHX-VIFPVBQESA-N 0 0 342.149 1.947 10 0 EDAERN Cc1nc(CCCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cs1 ZINC000177565785 442357607 /nfs/dbraw/zinc/35/76/07/442357607.db2.gz SNZCMICEGJZAGZ-BBRMVZONSA-N 0 0 337.489 1.953 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000177577278 442359223 /nfs/dbraw/zinc/35/92/23/442359223.db2.gz HKAMEGDVTMSKOP-ZFWWWQNUSA-N 0 0 331.416 1.654 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177609517 442362523 /nfs/dbraw/zinc/36/25/23/442362523.db2.gz XEWOKKKZOHDVKN-SJKOYZFVSA-N 0 0 349.435 1.876 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C[C@H](O)COCC(C)C)CCO2)n1 ZINC000171625274 442363576 /nfs/dbraw/zinc/36/35/76/442363576.db2.gz WINWNAUVAMOBBT-DLBZAZTESA-N 0 0 325.453 1.234 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCCCc1cc(N)n(-c2ccccc2)n1 ZINC000155578401 442409698 /nfs/dbraw/zinc/40/96/98/442409698.db2.gz VRJVWDNEKBPGGO-MRXNPFEDSA-N 0 0 330.432 1.910 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000178140772 442411022 /nfs/dbraw/zinc/41/10/22/442411022.db2.gz NIKGNTYZGQTJGK-WCQYABFASA-N 0 0 330.388 1.076 10 0 EDAERN COCC[S@](=O)Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000172144359 442415244 /nfs/dbraw/zinc/41/52/44/442415244.db2.gz PETFEMXOLDAPER-IXNJGMSNSA-N 0 0 338.429 1.045 10 0 EDAERN CC(C)c1nnc(CNc2ccccc2C(=O)NCCC(N)=O)n1C ZINC000172173064 442419118 /nfs/dbraw/zinc/41/91/18/442419118.db2.gz DPQKUQXGLNTQGA-UHFFFAOYSA-N 0 0 344.419 1.156 10 0 EDAERN COC(=O)c1ccc(CS(=O)(=O)NCCn2cc(C)cn2)cc1 ZINC000172209472 442423962 /nfs/dbraw/zinc/42/39/62/442423962.db2.gz BKTZZHAXYUUQLX-UHFFFAOYSA-N 0 0 337.401 1.098 10 0 EDAERN CC(C)[C@@H](C)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000172234510 442427475 /nfs/dbraw/zinc/42/74/75/442427475.db2.gz RPAGPIIMBCNEPG-SJORKVTESA-N 0 0 334.460 1.863 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCCn1cnc2ccccc21)C(C)C ZINC000178401006 442430198 /nfs/dbraw/zinc/43/01/98/442430198.db2.gz LDCYOULZVIRBFD-OAHLLOKOSA-N 0 0 331.420 1.496 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CN1CCCCCCC1=O)CC2 ZINC000172255823 442431045 /nfs/dbraw/zinc/43/10/45/442431045.db2.gz YIGWVWMIQQBJGD-ZDUSSCGKSA-N 0 0 333.436 1.064 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCOc1ccc(Cl)cn1)C(C)C ZINC000178413431 442431302 /nfs/dbraw/zinc/43/13/02/442431302.db2.gz AJKRDRZHQCSCCO-GFCCVEGCSA-N 0 0 328.800 1.184 10 0 EDAERN C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1nnc2n1CCCC2 ZINC000179670229 442487307 /nfs/dbraw/zinc/48/73/07/442487307.db2.gz ZBPWCWQOUYVEPL-NSHDSACASA-N 0 0 345.378 1.361 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)CN1CCCC1=O)CC2 ZINC000172557537 442490264 /nfs/dbraw/zinc/49/02/64/442490264.db2.gz YCEJDQYQBRITHD-OLZOCXBDSA-N 0 0 348.451 1.026 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCCOc1ccc(C(C)=O)cc1)C(C)C ZINC000178842247 442501114 /nfs/dbraw/zinc/50/11/14/442501114.db2.gz HNODIWYMYILXRW-QGZVFWFLSA-N 0 0 334.416 1.935 10 0 EDAERN CCOC1CCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000172606202 442501980 /nfs/dbraw/zinc/50/19/80/442501980.db2.gz YWNNAJMBDAPDCN-ZDUSSCGKSA-N 0 0 335.452 1.927 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000179778800 442502636 /nfs/dbraw/zinc/50/26/36/442502636.db2.gz HHHZFFZOXFUMOU-CZUORRHYSA-N 0 0 344.415 1.575 10 0 EDAERN CCNS(=O)(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000172444310 442462091 /nfs/dbraw/zinc/46/20/91/442462091.db2.gz NJZTZELKASJAQQ-SNVBAGLBSA-N 0 0 326.397 1.825 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCOc2ccccc21 ZINC000178756072 442476635 /nfs/dbraw/zinc/47/66/35/442476635.db2.gz BDIDXLLTAUGQQA-ZDUSSCGKSA-N 0 0 328.372 1.872 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1nc[nH]n1 ZINC000178993951 442547086 /nfs/dbraw/zinc/54/70/86/442547086.db2.gz RAZGQELXCZEVPD-MRCXROJRSA-N 0 0 331.351 1.341 10 0 EDAERN CN(C(=O)CCN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000135055137 442550517 /nfs/dbraw/zinc/55/05/17/442550517.db2.gz JSFAHZRNFQLDAQ-QGZVFWFLSA-N 0 0 328.416 1.637 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cnn(CC(C)C)c3)CCO2)cn1 ZINC000191792635 442511981 /nfs/dbraw/zinc/51/19/81/442511981.db2.gz SKARGCCXXGGZJQ-INIZCTEOSA-N 0 0 331.420 1.969 10 0 EDAERN CN(C)c1cc(C(=O)N[C@H]2CCc3ncnn3C2)c2ccccc2n1 ZINC000186333245 442513615 /nfs/dbraw/zinc/51/36/15/442513615.db2.gz QSVGVIQXHYWSEX-LBPRGKRZSA-N 0 0 336.399 1.637 10 0 EDAERN CC1=C(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCCO1 ZINC000178885202 442514703 /nfs/dbraw/zinc/51/47/03/442514703.db2.gz GUXJZFVISDVFMG-SFHVURJKSA-N 0 0 330.428 1.949 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H](CC(C)C)NC(C)=O)CCO2)cn1 ZINC000191806341 442515199 /nfs/dbraw/zinc/51/51/99/442515199.db2.gz WBKOEKHCHATDSJ-JKSUJKDBSA-N 0 0 336.436 1.354 10 0 EDAERN CCOCCN1CCN(C(=O)c2cn(C(C)(C)C)nn2)C[C@@H]1CC ZINC000191869888 442528763 /nfs/dbraw/zinc/52/87/63/442528763.db2.gz WMDKNHBKBSWUTM-AWEZNQCLSA-N 0 0 337.468 1.606 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCOCC(F)F)C2)n1 ZINC000191870512 442528786 /nfs/dbraw/zinc/52/87/86/442528786.db2.gz LGZWUOJIBGUMIF-ZDUSSCGKSA-N 0 0 330.379 1.805 10 0 EDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)C(C)C ZINC000178930209 442528955 /nfs/dbraw/zinc/52/89/55/442528955.db2.gz MLXBPQNDZQIZAU-CQSZACIVSA-N 0 0 328.434 1.361 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cnns1)c1cccc(-n2ccnc2)c1 ZINC000192035874 442575850 /nfs/dbraw/zinc/57/58/50/442575850.db2.gz BRAGSZWUFCWENZ-JTQLQIEISA-N 0 0 342.384 1.540 10 0 EDAERN CCC(CC)N1C[C@H](C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000135320148 442580141 /nfs/dbraw/zinc/58/01/41/442580141.db2.gz LYOCDAOPBPDJRO-CHWSQXEVSA-N 0 0 347.463 1.829 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)c1cnn(C)c1)C(C)C ZINC000173011876 442584739 /nfs/dbraw/zinc/58/47/39/442584739.db2.gz LWQHRVQUQQAOTF-MRXNPFEDSA-N 0 0 344.415 1.846 10 0 EDAERN Cc1cccc(OCC(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1 ZINC000186663139 442586190 /nfs/dbraw/zinc/58/61/90/442586190.db2.gz CTCDYWZSWMKMHT-OAHLLOKOSA-N 0 0 334.416 1.771 10 0 EDAERN CN1CCC(=O)Nc2cc(C(=O)N[C@@H]3CCCC[C@@H]3CO)ccc21 ZINC000179222546 442599909 /nfs/dbraw/zinc/59/99/09/442599909.db2.gz BWKDVRJNUOCACF-ZIAGYGMSSA-N 0 0 331.416 1.746 10 0 EDAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCC[C@H]1CO ZINC000179247762 442604548 /nfs/dbraw/zinc/60/45/48/442604548.db2.gz HKTDPLLKXHWHSB-WFASDCNBSA-N 0 0 330.384 1.340 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000186559470 442560578 /nfs/dbraw/zinc/56/05/78/442560578.db2.gz WITRAGYLPJHUIO-CZUORRHYSA-N 0 0 336.407 1.556 10 0 EDAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2cccs2)C1 ZINC000180255874 442567532 /nfs/dbraw/zinc/56/75/32/442567532.db2.gz FSSVTKQXPMMXJY-QWRGUYRKSA-N 0 0 331.463 1.532 10 0 EDAERN CCOCCC1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCCC1 ZINC000135848596 442636754 /nfs/dbraw/zinc/63/67/54/442636754.db2.gz KZRKONWEPFLEBY-CQSZACIVSA-N 0 0 335.452 1.879 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccccc1CC)CC2 ZINC000187001614 442643328 /nfs/dbraw/zinc/64/33/28/442643328.db2.gz PFMBMOAPGMHSFQ-CYBMUJFWSA-N 0 0 334.445 1.696 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CCOC(C)(C)C1 ZINC000187114831 442653596 /nfs/dbraw/zinc/65/35/96/442653596.db2.gz QUUZGPSIAOLIHR-NWDGAFQWSA-N 0 0 330.400 1.971 10 0 EDAERN O=C(COCCOc1ccccc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179343307 442625653 /nfs/dbraw/zinc/62/56/53/442625653.db2.gz NNKRGOLVZZSNPV-HNNXBMFYSA-N 0 0 330.388 1.954 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)OC ZINC000180577832 442626625 /nfs/dbraw/zinc/62/66/25/442626625.db2.gz PGVYXPUHVCUPPC-RYUDHWBXSA-N 0 0 337.424 1.562 10 0 EDAERN O=C(NCC(=O)N1CC[C@@H](Oc2cccnc2)C1)NCc1ccco1 ZINC000135706331 442627514 /nfs/dbraw/zinc/62/75/14/442627514.db2.gz VRQBGSRYKYNBLX-OAHLLOKOSA-N 0 0 344.371 1.154 10 0 EDAERN C[C@H](CNC(=O)N1CCC(c2ccncc2)CC1)N1CCOCC1 ZINC000192304555 442629936 /nfs/dbraw/zinc/62/99/36/442629936.db2.gz BMBJGBCMBBPURZ-OAHLLOKOSA-N 0 0 332.448 1.691 10 0 EDAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187450059 442677539 /nfs/dbraw/zinc/67/75/39/442677539.db2.gz DKNYIZCZYQPZIM-NFAWXSAZSA-N 0 0 349.456 1.229 10 0 EDAERN CCc1nc(NC(=O)C(=O)N2CCC[C@@H](NC(C)=O)C2)sc1C ZINC000192698232 442678065 /nfs/dbraw/zinc/67/80/65/442678065.db2.gz YVMZXWLFTKNGLC-LLVKDONJSA-N 0 0 338.433 1.080 10 0 EDAERN COc1cnccc1[C@H](C)NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000187510470 442679816 /nfs/dbraw/zinc/67/98/16/442679816.db2.gz GOMBDPRJCNNKAL-UONOGXRCSA-N 0 0 345.403 1.458 10 0 EDAERN COC(=O)C1CCC(C(=O)N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC000181156674 442682189 /nfs/dbraw/zinc/68/21/89/442682189.db2.gz QXHOCRHLOMALAK-UHFFFAOYSA-N 0 0 338.448 1.683 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)[C@@H](O)C3CCCCC3)CC2)nn1 ZINC000187795262 442692556 /nfs/dbraw/zinc/69/25/56/442692556.db2.gz JUJNIQRADUSJQZ-KRWDZBQOSA-N 0 0 332.448 1.765 10 0 EDAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000187920808 442697851 /nfs/dbraw/zinc/69/78/51/442697851.db2.gz CIHPDHYLISULKX-OCCSQVGLSA-N 0 0 335.452 1.750 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](C)Cn1cccn1)CC2 ZINC000181505701 442700413 /nfs/dbraw/zinc/70/04/13/442700413.db2.gz OSUZQEJLDKCIBU-UONOGXRCSA-N 0 0 345.451 1.548 10 0 EDAERN COc1ccc(C[C@@H](C)C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000136435720 442663681 /nfs/dbraw/zinc/66/36/81/442663681.db2.gz FTGCUBNVDHUZCQ-WBMJQRKESA-N 0 0 344.415 1.900 10 0 EDAERN CCOc1ccnc(N2CCN([C@H](C)c3nc(C)cc(=O)[nH]3)CC2)n1 ZINC000192576422 442665101 /nfs/dbraw/zinc/66/51/01/442665101.db2.gz YPTRDTXAXDOVLG-CYBMUJFWSA-N 0 0 344.419 1.563 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cc(F)ccc2F)CC1 ZINC000181889078 442720428 /nfs/dbraw/zinc/72/04/28/442720428.db2.gz KIYGBAVTEKXNEQ-OAHLLOKOSA-N 0 0 341.402 1.605 10 0 EDAERN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)[nH]c(=O)n1 ZINC000181911343 442721472 /nfs/dbraw/zinc/72/14/72/442721472.db2.gz KQNMWTDDNHREKD-DOMZBBRYSA-N 0 0 344.346 1.376 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2nc(C(C)C)cs2)CC1 ZINC000182005438 442727131 /nfs/dbraw/zinc/72/71/31/442727131.db2.gz SMUSEUQIVQYFRM-CYBMUJFWSA-N 0 0 340.493 1.865 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000182151847 442740654 /nfs/dbraw/zinc/74/06/54/442740654.db2.gz YGGDLHYPBQSFLT-KGLIPLIRSA-N 0 0 327.469 1.431 10 0 EDAERN O=C(c1cn2ccnc2s1)N1CCC(Nc2cccnn2)CC1 ZINC000188452794 442752009 /nfs/dbraw/zinc/75/20/09/442752009.db2.gz HLSWSOQNLMCPQP-UHFFFAOYSA-N 0 0 328.401 1.903 10 0 EDAERN COCCOc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188477961 442754576 /nfs/dbraw/zinc/75/45/76/442754576.db2.gz HCZBTUKQWJTGRR-UHFFFAOYSA-N 0 0 332.400 1.453 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCCCN(C)c2ccccc2)C1 ZINC000188486714 442755563 /nfs/dbraw/zinc/75/55/63/442755563.db2.gz RBYJFEOIDGINJV-UHFFFAOYSA-N 0 0 348.447 1.059 10 0 EDAERN C[C@H](C(=O)Nc1ncccn1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188084013 442709612 /nfs/dbraw/zinc/70/96/12/442709612.db2.gz IZUJKZZDZBNQGN-BNOWGMLFSA-N 0 0 332.429 1.573 10 0 EDAERN COCCC[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182628424 442798258 /nfs/dbraw/zinc/79/82/58/442798258.db2.gz LJWWLBVXLRQOKY-VXGBXAGGSA-N 0 0 328.434 1.574 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000182401948 442763733 /nfs/dbraw/zinc/76/37/33/442763733.db2.gz HYFSBCNCEAFYIZ-GFCCVEGCSA-N 0 0 336.436 1.812 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(OCCC(C)C)cc2)C1 ZINC000188567321 442763841 /nfs/dbraw/zinc/76/38/41/442763841.db2.gz ZSHAJOGKXHZUBE-UHFFFAOYSA-N 0 0 340.445 1.621 10 0 EDAERN COC(=O)C1CCC(C(=O)NC[C@]2(O)CCc3ccccc32)CC1 ZINC000182818571 442830229 /nfs/dbraw/zinc/83/02/29/442830229.db2.gz ZNWJSDIFQAZQGS-JFIBYHEFSA-N 0 0 331.412 1.916 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H]2SCCc3ccccc32)C[C@H]1C ZINC000246739305 442809086 /nfs/dbraw/zinc/80/90/86/442809086.db2.gz FZOSGGKMQPQALN-KEYYUXOJSA-N 0 0 334.485 1.931 10 0 EDAERN CN(CCCNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188774685 442809884 /nfs/dbraw/zinc/80/98/84/442809884.db2.gz MEGKJEVZMNCBNB-UHFFFAOYSA-N 0 0 344.459 1.823 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)[C@@H](C)CCCOC)CC2)n1 ZINC000182722480 442814291 /nfs/dbraw/zinc/81/42/91/442814291.db2.gz HYRYJVULJFQDQM-AWEZNQCLSA-N 0 0 336.436 1.587 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)Nc1ccccc1CN1CCNC1=O ZINC000182754797 442818944 /nfs/dbraw/zinc/81/89/44/442818944.db2.gz REPKQORQVSKKDA-CZUORRHYSA-N 0 0 346.431 1.884 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc2cccnc2s1 ZINC000193989211 442825373 /nfs/dbraw/zinc/82/53/73/442825373.db2.gz KMPUYLKCHMINGQ-VIFPVBQESA-N 0 0 344.400 1.694 10 0 EDAERN Cc1csc([C@H]2CN(C(=O)NCCNC(=O)C(C)C)CCO2)n1 ZINC000194020062 442829925 /nfs/dbraw/zinc/82/99/25/442829925.db2.gz SAGAPILBXPOYIZ-GFCCVEGCSA-N 0 0 340.449 1.307 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCCNC(=O)[C@H]3C)cn2)n1 ZINC000188921415 442842551 /nfs/dbraw/zinc/84/25/51/442842551.db2.gz OGCOJLZQGBZMFH-CYBMUJFWSA-N 0 0 327.388 1.235 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000188946609 442846873 /nfs/dbraw/zinc/84/68/73/442846873.db2.gz RNBSPBIYOYBUAM-SECBINFHSA-N 0 0 343.196 1.868 10 0 EDAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)c1nncn1C ZINC000194251886 442866362 /nfs/dbraw/zinc/86/63/62/442866362.db2.gz ZGLWVLJTROADFZ-NWDGAFQWSA-N 0 0 339.440 1.728 10 0 EDAERN C[C@H]1C[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000183047570 442869757 /nfs/dbraw/zinc/86/97/57/442869757.db2.gz WZTKQNCBDOYQOJ-KBPBESRZSA-N 0 0 330.494 1.943 10 0 EDAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cc(C)oc3C)CCO2)cn1 ZINC000189228233 442900762 /nfs/dbraw/zinc/90/07/62/442900762.db2.gz PUIZTBHEZZQIAW-CQSZACIVSA-N 0 0 339.417 1.875 10 0 EDAERN COC(=O)C[C@H](NC(=O)Cn1ccc(C)cc1=O)c1ccccc1 ZINC000194376402 442886098 /nfs/dbraw/zinc/88/60/98/442886098.db2.gz BVEDPXZHNZWSLP-HNNXBMFYSA-N 0 0 328.368 1.577 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2C)C1 ZINC000194157309 442853680 /nfs/dbraw/zinc/85/36/80/442853680.db2.gz QXJRYFBFMICHQN-HNNXBMFYSA-N 0 0 346.431 1.492 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]12 ZINC000183247122 442910842 /nfs/dbraw/zinc/91/08/42/442910842.db2.gz JFCFUXHXASXIIL-FRRDWIJNSA-N 0 0 349.435 1.499 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)C1 ZINC000194599999 442920650 /nfs/dbraw/zinc/92/06/50/442920650.db2.gz QOSKHIJHDVCNAZ-AWEZNQCLSA-N 0 0 334.416 1.182 10 0 EDAERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000248750259 442924396 /nfs/dbraw/zinc/92/43/96/442924396.db2.gz KGPITIAKXCMZCA-KMFMINBZSA-N 0 0 346.427 1.934 10 0 EDAERN COc1ccc(CCCC(=O)N2CC(NC(=O)C3CC3)C2)c(OC)c1 ZINC000189363933 442929371 /nfs/dbraw/zinc/92/93/71/442929371.db2.gz QSRKPMRALFQEBS-UHFFFAOYSA-N 0 0 346.427 1.764 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000189406661 442944190 /nfs/dbraw/zinc/94/41/90/442944190.db2.gz GBRRHFMBFSKKSZ-HUUCEWRRSA-N 0 0 345.424 1.654 10 0 EDAERN CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000249240659 442961491 /nfs/dbraw/zinc/96/14/91/442961491.db2.gz QDIXBIRQNDFCGK-XQQFMLRXSA-N 0 0 341.477 1.678 10 0 EDAERN O=C(c1c[nH]c(=O)c2ccccc12)N1CCO[C@H](Cn2cccn2)C1 ZINC000191555145 318573779 /nfs/dbraw/zinc/57/37/79/318573779.db2.gz CCUQIEHPFOIVDU-ZDUSSCGKSA-N 0 0 338.367 1.266 10 0 EDAERN O=C(NC1CN(C(=O)c2ccnc(OCC(F)(F)F)c2)C1)C1CC1 ZINC000189505463 442969184 /nfs/dbraw/zinc/96/91/84/442969184.db2.gz SRBHSVNBZLPKEX-UHFFFAOYSA-N 0 0 343.305 1.373 10 0 EDAERN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@@H]1CNC(=O)C1 ZINC000194822234 318593168 /nfs/dbraw/zinc/59/31/68/318593168.db2.gz DFLHHKLCOONRRG-VIFPVBQESA-N 0 0 338.289 1.966 10 0 EDAERN CCn1c(C)nnc1CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000195041649 318595289 /nfs/dbraw/zinc/59/52/89/318595289.db2.gz VJBQLERZKSVPBP-UHFFFAOYSA-N 0 0 339.447 1.572 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)C1)C1CC1 ZINC000189426862 442950612 /nfs/dbraw/zinc/95/06/12/442950612.db2.gz NYGWZZXUUYYAKK-CVEARBPZSA-N 0 0 347.459 1.152 10 0 EDAERN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CNC(=O)C3)n2)cc1 ZINC000194764557 442950754 /nfs/dbraw/zinc/95/07/54/442950754.db2.gz XEXWTISAJBLZHC-LLVKDONJSA-N 0 0 344.396 1.843 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(Cc1ccccc1)OC)CC2 ZINC000184248581 443005253 /nfs/dbraw/zinc/00/52/53/443005253.db2.gz ZCYYQLJRWVGODM-CQSZACIVSA-N 0 0 329.404 1.929 10 0 EDAERN CC(C)(C)OCc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)no1 ZINC000184481924 443027470 /nfs/dbraw/zinc/02/74/70/443027470.db2.gz WXZREQHEUVJLPL-AWEZNQCLSA-N 0 0 348.403 1.727 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cc3cccc(COC)c3)CCO2)[nH]1 ZINC000189931323 443032028 /nfs/dbraw/zinc/03/20/28/443032028.db2.gz XPSYLCOTLVXCSP-HNNXBMFYSA-N 0 0 344.415 1.656 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cn1 ZINC000184196436 443000770 /nfs/dbraw/zinc/00/07/70/443000770.db2.gz ADDDXGZZOBUSKA-PXAZEXFGSA-N 0 0 341.415 1.993 10 0 EDAERN CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)c1ccccc1Br ZINC000223935398 443095989 /nfs/dbraw/zinc/09/59/89/443095989.db2.gz HYRAKABVKHTOLS-KWQFWETISA-N 0 0 329.194 1.517 10 0 EDAERN O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1cc(Cl)ccc1Cl ZINC000184741981 443070536 /nfs/dbraw/zinc/07/05/36/443070536.db2.gz VUCLMFBDYSFBCS-GHMZBOCLSA-N 0 0 333.215 1.750 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)C1 ZINC000190242446 443076097 /nfs/dbraw/zinc/07/60/97/443076097.db2.gz LMVGHABRHJGUEB-NSHDSACASA-N 0 0 343.387 1.251 10 0 EDAERN O=C(NC1CN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)C1)C1CC1 ZINC000190274123 443079272 /nfs/dbraw/zinc/07/92/72/443079272.db2.gz PJOSNAGXTVDZIJ-CQSZACIVSA-N 0 0 342.443 1.433 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1 ZINC000184833295 443083386 /nfs/dbraw/zinc/08/33/86/443083386.db2.gz QHZJETRQHGJXFY-SJLPKXTDSA-N 0 0 348.491 1.609 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000185240533 443168125 /nfs/dbraw/zinc/16/81/25/443168125.db2.gz GTNKJTWTQFSSOZ-UHFFFAOYSA-N 0 0 349.387 1.536 10 0 EDAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190747732 443175623 /nfs/dbraw/zinc/17/56/23/443175623.db2.gz DLWOCYKVRKNSAQ-CQSZACIVSA-N 0 0 330.363 1.960 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)Nc3ccccc3OC)CCO2)cn1 ZINC000190792721 443185042 /nfs/dbraw/zinc/18/50/42/443185042.db2.gz WPGBFQZSUWYCKN-KRWDZBQOSA-N 0 0 344.415 1.924 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)c1nncs1)C(C)C ZINC000185368190 443190238 /nfs/dbraw/zinc/19/02/38/443190238.db2.gz KUQHTUMXIBYKKX-ZDUSSCGKSA-N 0 0 348.428 1.964 10 0 EDAERN COC(=O)CCCCCS(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000190680175 443162767 /nfs/dbraw/zinc/16/27/67/443162767.db2.gz KCHAJDZNMSOCCY-CQSZACIVSA-N 0 0 343.449 1.620 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3nnc(C)s3)CC2)cs1 ZINC000185439748 443200358 /nfs/dbraw/zinc/20/03/58/443200358.db2.gz PSCBFKIRBXKLJC-UHFFFAOYSA-N 0 0 337.474 1.960 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)C1 ZINC000185444609 443201194 /nfs/dbraw/zinc/20/11/94/443201194.db2.gz KMHMWPNDNHWWGM-AWEZNQCLSA-N 0 0 327.469 1.994 10 0 EDAERN COCCC1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCCCC1 ZINC000185472535 443204665 /nfs/dbraw/zinc/20/46/65/443204665.db2.gz QZSDXLGWFVQABO-AWEZNQCLSA-N 0 0 335.452 1.879 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@H](CO)Cc2ccc(C)cc2)CC1 ZINC000190975360 443218113 /nfs/dbraw/zinc/21/81/13/443218113.db2.gz QCXOXCHBQCHKNO-JCYILVPMSA-N 0 0 333.428 1.994 10 0 EDAERN COC(=O)Cc1cccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)n1 ZINC000191130817 443246308 /nfs/dbraw/zinc/24/63/08/443246308.db2.gz FBURMWZBZNKGPF-UHFFFAOYSA-N 0 0 343.387 1.932 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCCn2ncnc21)[C@H](O)Cc1ccccc1 ZINC000246159271 443273861 /nfs/dbraw/zinc/27/38/61/443273861.db2.gz WXWLJIGABCWLFK-AEGPPILISA-N 0 0 329.404 1.404 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cccc(Br)c1 ZINC000191314781 443276931 /nfs/dbraw/zinc/27/69/31/443276931.db2.gz NAHXYDCUTBOESP-JTQLQIEISA-N 0 0 340.221 1.869 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1)C(C)C ZINC000246190484 443277478 /nfs/dbraw/zinc/27/74/78/443277478.db2.gz KOWJAJDVNYWABY-IACUBPJLSA-N 0 0 339.461 1.990 10 0 EDAERN CCOC(=O)N1CC[C@@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000185917001 443282315 /nfs/dbraw/zinc/28/23/15/443282315.db2.gz ROPRWWKLLWSSTA-KGLIPLIRSA-N 0 0 335.408 1.877 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(=O)n(C)c2)C12CCOCC2 ZINC000185932440 443286767 /nfs/dbraw/zinc/28/67/67/443286767.db2.gz OLUZEUBCPGGRMM-KGLIPLIRSA-N 0 0 335.404 1.481 10 0 EDAERN Cc1ccc(OC[C@@H](O)CN2CC(NC(=O)C3CCC3)C2)c(C)c1 ZINC000185937757 443287692 /nfs/dbraw/zinc/28/76/92/443287692.db2.gz IDQFVVHEDSGGDT-KRWDZBQOSA-N 0 0 332.444 1.644 10 0 EDAERN CC(=O)NC1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)C1 ZINC000191485773 443301317 /nfs/dbraw/zinc/30/13/17/443301317.db2.gz QBUYAYAKPXAUJW-UHFFFAOYSA-N 0 0 328.372 1.406 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)[nH]c(=O)n1 ZINC000299744190 444131415 /nfs/dbraw/zinc/13/14/15/444131415.db2.gz NURZXBCKMKBTCP-LBPRGKRZSA-N 0 0 328.376 1.264 10 0 EDAERN COc1cccc(CCCN2CCC[C@@H]2c2nc(C(N)=O)no2)c1 ZINC000328651522 444415075 /nfs/dbraw/zinc/41/50/75/444415075.db2.gz VZAGOJZQDDFHQF-CQSZACIVSA-N 0 0 330.388 1.947 10 0 EDAERN CCc1nsc(N(C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)n1 ZINC000328656233 444416965 /nfs/dbraw/zinc/41/69/65/444416965.db2.gz ZEAMGJJAOGDQFX-STQMWFEESA-N 0 0 336.440 1.939 10 0 EDAERN CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)Cc1cc[nH]n1 ZINC000328618544 444395668 /nfs/dbraw/zinc/39/56/68/444395668.db2.gz DVGMLKOAOIBQTJ-JTQLQIEISA-N 0 0 341.337 1.889 10 0 EDAERN COC(=O)Cc1cc(I)c([N+](=O)[O-])cc1N ZINC000575638532 447879061 /nfs/dbraw/zinc/87/90/61/447879061.db2.gz CJTYAQBPJVQCLB-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CCOC(=O)Cc1cc(OC)c(I)cc1N ZINC000575724397 447882485 /nfs/dbraw/zinc/88/24/85/447882485.db2.gz FMIQQAINXBETBA-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN O=S(=O)(c1cncc(Cl)c1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583616418 448444020 /nfs/dbraw/zinc/44/40/20/448444020.db2.gz OREHPRFEZBHLTD-MJBXVCDLSA-N 0 0 346.836 1.286 10 0 EDAERN CN1C(=O)C[C@@H](NCc2ncn(-c3ccccc3)n2)[C@@H]1c1cccnc1 ZINC000583620154 448450559 /nfs/dbraw/zinc/45/05/59/448450559.db2.gz IEQMGYZLZCXUIZ-APWZRJJASA-N 0 0 348.410 1.724 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1=O ZINC000583621344 448451434 /nfs/dbraw/zinc/45/14/34/448451434.db2.gz UASFATIIIXKISK-CVEARBPZSA-N 0 0 330.359 1.630 10 0 EDAERN CCN1CCN(C(=O)[C@@H](C)c2cccnc2)C[C@H]1c1nccn1C ZINC000583621476 448452115 /nfs/dbraw/zinc/45/21/15/448452115.db2.gz QTFWMFMPGHLSII-HOCLYGCPSA-N 0 0 327.432 1.824 10 0 EDAERN O=C(N[C@@H]1CCNC1=O)C1=Cc2cc(Br)ccc2OC1 ZINC000616969835 449413747 /nfs/dbraw/zinc/41/37/47/449413747.db2.gz SMPZWRZHYUVJIB-LLVKDONJSA-N 0 0 337.173 1.230 10 0 EDAERN Cc1ccc(C(=O)NC[C@H]2CC(=O)N(C)C2)c(Br)c1 ZINC000619001888 450371166 /nfs/dbraw/zinc/37/11/66/450371166.db2.gz PIAYJJLLGTVQOR-SNVBAGLBSA-N 0 0 325.206 1.966 10 0 EDAERN CCOC(=O)c1cccc([C@H]2CCCCCN2S(N)(=O)=O)c1 ZINC000616624330 450455646 /nfs/dbraw/zinc/45/56/46/450455646.db2.gz DQLYAFVRNRNAGL-CQSZACIVSA-N 0 0 326.418 1.984 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2ccc(CCO)cc2)C1 ZINC000616655699 450457568 /nfs/dbraw/zinc/45/75/68/450457568.db2.gz XZIIXRQEEUWEHZ-GOSISDBHSA-N 0 0 346.452 1.557 10 0 EDAERN CS(=O)(=O)N1CCc2ccccc2[C@H]1c1ccccc1C(N)=O ZINC000616681543 450460100 /nfs/dbraw/zinc/46/01/00/450460100.db2.gz ZZWQOLTVFBXZOH-INIZCTEOSA-N 0 0 330.409 1.693 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)C[C@@H](C)O2)n1 ZINC000630023376 450960704 /nfs/dbraw/zinc/96/07/04/450960704.db2.gz BCANQTWCWARGDD-YMTOWFKASA-N 0 0 327.344 1.857 10 0 EDAERN Nc1nc([C@H]2CCN(C(=O)Cc3cccc(F)c3F)C2)cc(=O)[nH]1 ZINC000630724349 451364213 /nfs/dbraw/zinc/36/42/13/451364213.db2.gz UHWJMHLGFYFUAM-JTQLQIEISA-N 0 0 334.326 1.601 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cnc4ccccc4n3)C[C@@H](C)O2)n1 ZINC000628857630 451442469 /nfs/dbraw/zinc/44/24/69/451442469.db2.gz OVYDPBFBQRTVQF-MEBBXXQBSA-N 0 0 339.355 1.923 10 0 EDAERN Cc1nnc2n1C[C@H](C(=O)N(C)Cc1cc(Cl)cn1C)N(C)C2 ZINC000644387205 453387241 /nfs/dbraw/zinc/38/72/41/453387241.db2.gz XSGRIRSSHBSNRG-CYBMUJFWSA-N 0 0 336.827 1.051 10 0 EDAERN COc1cccc(C2(CNC(=O)CN3CCCC[C@H](O)C3=O)CC2)c1 ZINC000644483875 453509091 /nfs/dbraw/zinc/50/90/91/453509091.db2.gz ZAYLRNHOJGXOEH-INIZCTEOSA-N 0 0 346.427 1.216 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000074775058 486020425 /nfs/dbraw/zinc/02/04/25/486020425.db2.gz FXBZEGAKJYSRDB-CQSZACIVSA-N 0 0 332.853 1.432 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000074775056 486020589 /nfs/dbraw/zinc/02/05/89/486020589.db2.gz FXBZEGAKJYSRDB-AWEZNQCLSA-N 0 0 332.853 1.432 10 0 EDAERN Cc1ccccc1-c1nc(CN2CC[C@](O)(Cn3ccnn3)C2)no1 ZINC000671552247 486649658 /nfs/dbraw/zinc/64/96/58/486649658.db2.gz GENAZINDFCNUOH-QGZVFWFLSA-N 0 0 340.387 1.274 10 0 EDAERN CCN(C[C@@H]1CCCO1)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000128642384 491017662 /nfs/dbraw/zinc/01/76/62/491017662.db2.gz VYGKLNMAVMEZSE-STQMWFEESA-N 0 0 330.384 1.699 10 0 EDAERN COc1cccc([C@H](O)CN2CCSC[C@@H]2S(C)(=O)=O)c1 ZINC000163034064 533783397 /nfs/dbraw/zinc/78/33/97/533783397.db2.gz NLFCRUOTQZNRGH-KGLIPLIRSA-N 0 0 331.459 1.148 10 0 EDAERN C[C@@H]1C[C@H](C)CN1CCS(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000164364581 533805578 /nfs/dbraw/zinc/80/55/78/533805578.db2.gz KAPUNNNSZZPJNA-NWDGAFQWSA-N 0 0 326.487 1.825 10 0 EDAERN C[C@H](Nc1ncncc1I)C(=O)NC1CC1 ZINC000162574782 534035257 /nfs/dbraw/zinc/03/52/57/534035257.db2.gz ZVLOBAWPLLRAGS-LURJTMIESA-N 0 0 332.145 1.160 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(C)n1 ZINC000129454378 534036214 /nfs/dbraw/zinc/03/62/14/534036214.db2.gz MYTVZKUQRMJXQS-LBPRGKRZSA-N 0 0 343.387 1.087 10 0 EDAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1N ZINC000149184603 534197140 /nfs/dbraw/zinc/19/71/40/534197140.db2.gz PSNZAJMAYLUOEV-OIBJUYFYSA-N 0 0 335.223 1.487 10 0 EDAERN Cc1ccc(Br)c(C(=O)N2CCO[C@H](C(N)=S)C2)c1 ZINC000169014876 534253671 /nfs/dbraw/zinc/25/36/71/534253671.db2.gz NKSRHGLEEIYPKU-NSHDSACASA-N 0 0 343.246 1.885 10 0 EDAERN COC(=O)[C@@H](COc1cc(F)ccc1Br)NC(C)=O ZINC000160121430 534265879 /nfs/dbraw/zinc/26/58/79/534265879.db2.gz DQADEWGUMWQRGU-SNVBAGLBSA-N 0 0 334.141 1.645 10 0 EDAERN O=C(Nc1cccc(Cl)c1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177636054 534349641 /nfs/dbraw/zinc/34/96/41/534349641.db2.gz DOZQMGJEQKFTOK-QMMMGPOBSA-N 0 0 337.742 1.140 10 0 EDAERN O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000170559498 534499645 /nfs/dbraw/zinc/49/96/45/534499645.db2.gz HWVUAGPIWKJDDG-UHFFFAOYSA-N 0 0 342.399 1.556 10 0 EDAERN NC(=S)c1ccc(NS(=O)(=O)c2cncc(F)c2)c(F)c1 ZINC000168428271 534529455 /nfs/dbraw/zinc/52/94/55/534529455.db2.gz KMFACDSKAQYEHV-UHFFFAOYSA-N 0 0 329.353 1.795 10 0 EDAERN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333530522 534568030 /nfs/dbraw/zinc/56/80/30/534568030.db2.gz PYFDJULUTZJGJR-LHAWGNPOSA-N 0 0 330.432 1.352 10 0 EDAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000131629049 534731687 /nfs/dbraw/zinc/73/16/87/534731687.db2.gz COFPAAXCWGIFDA-OAHLLOKOSA-N 0 0 338.371 1.209 10 0 EDAERN Cc1conc1NC(=O)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000182808151 534754272 /nfs/dbraw/zinc/75/42/72/534754272.db2.gz SMNCETPIWOGXAR-UHFFFAOYSA-N 0 0 331.376 1.363 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)CCn3ccnn3)C[C@@H]12 ZINC000248579431 534895293 /nfs/dbraw/zinc/89/52/93/534895293.db2.gz IDMVPXBXQCOZCH-MGPQQGTHSA-N 0 0 349.435 1.430 10 0 EDAERN CN1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)N2CCSCC2)C1 ZINC000245387635 536435978 /nfs/dbraw/zinc/43/59/78/536435978.db2.gz ZHQAPQHKTIMDJX-IRXDYDNUSA-N 0 0 349.500 1.223 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCS(=O)CC2)C1 ZINC000163910144 526489515 /nfs/dbraw/zinc/48/95/15/526489515.db2.gz CIBCPCYQHKTMJM-OLZOCXBDSA-N 0 0 344.477 1.661 10 0 EDAERN CC(=O)N1CCC(NC(=O)c2cc(N)cc(Br)c2)CC1 ZINC000147654080 526545256 /nfs/dbraw/zinc/54/52/56/526545256.db2.gz GAKXXYATNRCBJT-UHFFFAOYSA-N 0 0 340.221 1.772 10 0 EDAERN CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(Cl)c(N)c2)CC1 ZINC000164696057 526633150 /nfs/dbraw/zinc/63/31/50/526633150.db2.gz IQADJFGFBNVVCY-UHFFFAOYSA-N 0 0 331.825 1.083 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000189732427 526707986 /nfs/dbraw/zinc/70/79/86/526707986.db2.gz LUTSGQPTUFXJTE-UHFFFAOYSA-N 0 0 341.415 1.519 10 0 EDAERN CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2COc3ccccc32)nn1 ZINC000174379884 527567377 /nfs/dbraw/zinc/56/73/77/527567377.db2.gz QYSRNMWUQJDVNT-ZDUSSCGKSA-N 0 0 328.372 1.757 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccsc2)C12CCOCC2 ZINC000187290593 527908262 /nfs/dbraw/zinc/90/82/62/527908262.db2.gz GHTXVAOENKJLQV-QWHCGFSZSA-N 0 0 338.429 1.777 10 0 EDAERN CCC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(C)C ZINC000178642635 527983280 /nfs/dbraw/zinc/98/32/80/527983280.db2.gz RLVNWNBBYJTJTL-SWLSCSKDSA-N 0 0 326.462 1.998 10 0 EDAERN CCNC(=O)[C@@H](C)NCc1cc(Br)cc2c1OCC2 ZINC000167823191 528195279 /nfs/dbraw/zinc/19/52/79/528195279.db2.gz SEVHWFDOBLTVQG-SECBINFHSA-N 0 0 327.222 1.998 10 0 EDAERN CCCCCS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000184513365 528245208 /nfs/dbraw/zinc/24/52/08/528245208.db2.gz RJRUGHFWNQIOAG-AWEZNQCLSA-N 0 0 326.466 1.897 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)CC[C@@H](C)OC)CC2)n1 ZINC000183429825 528255245 /nfs/dbraw/zinc/25/52/45/528255245.db2.gz RIRNJUQJBFYZNT-CQSZACIVSA-N 0 0 336.436 1.647 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCc1cccc(O)c1)CC2 ZINC000158671811 528337086 /nfs/dbraw/zinc/33/70/86/528337086.db2.gz XYRNEGLOENHTLO-CQSZACIVSA-N 0 0 343.431 1.964 10 0 EDAERN CCNCc1ncn(Cc2c(Br)c(C)nn2CC)n1 ZINC000167504172 528359742 /nfs/dbraw/zinc/35/97/42/528359742.db2.gz VBNIMRKEHAVVOV-UHFFFAOYSA-N 0 0 327.230 1.723 10 0 EDAERN CCCNC(=O)[C@H]1COCCN1c1ncc(N)cc1Br ZINC000159263585 528442671 /nfs/dbraw/zinc/44/26/71/528442671.db2.gz RTZMFLUHSMHCCU-LLVKDONJSA-N 0 0 343.225 1.158 10 0 EDAERN CCNc1ncc(S(=O)(=O)NC[C@@H](C)[S@](C)=O)cc1Cl ZINC000166220247 528448627 /nfs/dbraw/zinc/44/86/27/528448627.db2.gz CAPLGEQDPGVPJH-LILOVNGRSA-N 0 0 339.870 1.212 10 0 EDAERN CCNc1nnc(S(=O)(=O)Cc2nnc(C(C)C)n2C)s1 ZINC000183517395 528448924 /nfs/dbraw/zinc/44/89/24/528448924.db2.gz UTGHZLHKYHALFO-UHFFFAOYSA-N 0 0 330.439 1.196 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H](CCO)c1ccco1)CC2 ZINC000187408471 528474822 /nfs/dbraw/zinc/47/48/22/528474822.db2.gz QHRQSABNOLQKIR-STQMWFEESA-N 0 0 347.419 1.732 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1cccc(O)c1)CC2 ZINC000181501118 528475097 /nfs/dbraw/zinc/47/50/97/528475097.db2.gz OAZRSLJSFNDOEY-ZDUSSCGKSA-N 0 0 329.404 1.921 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)COc1ccccc1O)CC2 ZINC000178484023 528477806 /nfs/dbraw/zinc/47/78/06/528477806.db2.gz SMDPLCUBXFUTBV-GFCCVEGCSA-N 0 0 330.388 1.617 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187989070 528638230 /nfs/dbraw/zinc/63/82/30/528638230.db2.gz GXXIGXZTNDGNMB-UHFFFAOYSA-N 0 0 329.400 1.315 10 0 EDAERN CC(CO)(CO)Nc1ncc(Br)cc1Br ZINC000164017109 528708589 /nfs/dbraw/zinc/70/85/89/528708589.db2.gz WRALFRGFIXKGHS-UHFFFAOYSA-N 0 0 340.015 1.762 10 0 EDAERN CCOC(=O)CCS(=O)(=O)Nc1ccc(C(N)=S)cc1F ZINC000168426940 528745151 /nfs/dbraw/zinc/74/51/51/528745151.db2.gz ZARUECFWOHYGQM-UHFFFAOYSA-N 0 0 334.394 1.155 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000167184369 528828574 /nfs/dbraw/zinc/82/85/74/528828574.db2.gz VKTMIXPMWLXDNN-CMPLNLGQSA-N 0 0 345.237 1.882 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1C ZINC000173815528 528901005 /nfs/dbraw/zinc/90/10/05/528901005.db2.gz FLJJCLCCLRUCPP-HNNXBMFYSA-N 0 0 343.383 1.513 10 0 EDAERN CC(C)N1CCO[C@@H](CS(=O)(=O)c2ccc(N)cc2Cl)C1 ZINC000165683745 529051257 /nfs/dbraw/zinc/05/12/57/529051257.db2.gz SZUNLSKNABBVDN-GFCCVEGCSA-N 0 0 332.853 1.805 10 0 EDAERN CC(C)N1CCO[C@H](CS(=O)(=O)c2ccc(N)c(Cl)c2)C1 ZINC000166443272 529055260 /nfs/dbraw/zinc/05/52/60/529055260.db2.gz YFRFCZCFPAJBKD-NSHDSACASA-N 0 0 332.853 1.805 10 0 EDAERN CCSCC[C@H](C)NS(=O)(=O)c1cnc(NN)c(Cl)c1 ZINC000160348684 529195429 /nfs/dbraw/zinc/19/54/29/529195429.db2.gz GKUIIJLJPORIST-QMMMGPOBSA-N 0 0 338.886 1.831 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cc(F)ccc2OC)CC1 ZINC000187921228 529227549 /nfs/dbraw/zinc/22/75/49/529227549.db2.gz DNHKNGPSXNQLLJ-OAHLLOKOSA-N 0 0 339.411 1.432 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)CCCn1ccnc1)CC2 ZINC000181736878 535027574 /nfs/dbraw/zinc/02/75/74/535027574.db2.gz UHHKAEFLSUHNNR-CQSZACIVSA-N 0 0 345.451 1.645 10 0 EDAERN CCC(CC)N1C[C@@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)CC1=O ZINC000172397751 535051921 /nfs/dbraw/zinc/05/19/21/535051921.db2.gz FGYXSLPVFNPWRU-GJZGRUSLSA-N 0 0 347.463 1.554 10 0 EDAERN CCC(CC)NC(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801358 535069840 /nfs/dbraw/zinc/06/98/40/535069840.db2.gz LLFUMFBDGNFISK-HNNXBMFYSA-N 0 0 333.480 1.990 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2ccc(F)cc2)C[C@H]1C ZINC000247436732 535603657 /nfs/dbraw/zinc/60/36/57/535603657.db2.gz ZFZBVBHYGXMKKI-OAHLLOKOSA-N 0 0 337.439 1.485 10 0 EDAERN CCOCCN1CCN([C@@H](C)C(=O)Nc2nccs2)C[C@H]1C ZINC000247206524 535606639 /nfs/dbraw/zinc/60/66/39/535606639.db2.gz PJBBYEKCZHGGSR-OLZOCXBDSA-N 0 0 326.466 1.513 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2F)C[C@H]1C ZINC000246981253 535606713 /nfs/dbraw/zinc/60/67/13/535606713.db2.gz FNLPCEVSNXOQOV-GFCCVEGCSA-N 0 0 348.415 1.696 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC000248864733 535865673 /nfs/dbraw/zinc/86/56/73/535865673.db2.gz GAYXBILIJNEEKQ-NWANDNLSSA-N 0 0 331.416 1.165 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)cn1 ZINC000156536472 536308767 /nfs/dbraw/zinc/30/87/67/536308767.db2.gz QSRWSSUUOKNFFN-NSHDSACASA-N 0 0 333.367 1.959 10 0 EDAERN CN[C@@H](C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 ZINC000262195216 536335295 /nfs/dbraw/zinc/33/52/95/536335295.db2.gz MMGWVBCCXWCFKA-DLBZAZTESA-N 0 0 344.459 1.828 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cn(C)nc1-c1ccccc1)C(C)C ZINC000182634443 536379560 /nfs/dbraw/zinc/37/95/60/536379560.db2.gz JJFNSTXQVNUTHO-OAHLLOKOSA-N 0 0 343.431 1.657 10 0 EDAERN COc1ccc(-c2nnc(CNC(=O)N[C@H](C)[C@@H]3CCCO3)[nH]2)cc1 ZINC000111825797 536515465 /nfs/dbraw/zinc/51/54/65/536515465.db2.gz LODJPNJWUSERQB-RISCZKNCSA-N 0 0 345.403 1.847 10 0 EDAERN COc1ccc(-c2nnc(CNC(=O)N[C@@H](C)[C@H]3CCCO3)[nH]2)cc1 ZINC000111825800 536517330 /nfs/dbraw/zinc/51/73/30/536517330.db2.gz LODJPNJWUSERQB-SMDDNHRTSA-N 0 0 345.403 1.847 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)c2nc(C)cs2)C[C@@H]1C ZINC000248624605 536869089 /nfs/dbraw/zinc/86/90/89/536869089.db2.gz NVHVEECSXDPCEC-JSGCOSHPSA-N 0 0 340.493 1.917 10 0 EDAERN COC(=O)CCCS(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000049062709 538126150 /nfs/dbraw/zinc/12/61/50/538126150.db2.gz GLZDZWGWHPZNLL-UHFFFAOYSA-N 0 0 334.781 1.134 10 0 EDAERN COc1ccncc1CN1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000888076802 590933382 /nfs/dbraw/zinc/93/33/82/590933382.db2.gz FUISWYNXAQCYKD-GOSISDBHSA-N 0 0 344.415 1.920 10 0 EDAERN Cc1ccccc1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888094879 591024961 /nfs/dbraw/zinc/02/49/61/591024961.db2.gz FHQSJKBBORRVJY-FCEWJHQRSA-N 0 0 330.428 1.870 10 0 EDAERN CCc1ccc(F)cc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888095288 591026161 /nfs/dbraw/zinc/02/61/61/591026161.db2.gz OLBRKMZWLADYBU-ZOBUZTSGSA-N 0 0 334.391 1.944 10 0 EDAERN Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cccc(=O)n2C)C3)n1 ZINC000888098613 591028636 /nfs/dbraw/zinc/02/86/36/591028636.db2.gz QTAGWSYOZBHALJ-SJCJKPOMSA-N 0 0 328.372 1.271 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(=O)NCc2cccnc2)C1 ZINC000888102733 591030974 /nfs/dbraw/zinc/03/09/74/591030974.db2.gz JMBUWVSNZZSRIM-CVEARBPZSA-N 0 0 343.431 1.500 10 0 EDAERN NC(=O)[C@@H]1CN(C(=O)c2ccc3c(n2)CCCN3)C[C@H]1C(F)(F)F ZINC000899167289 591713739 /nfs/dbraw/zinc/71/37/39/591713739.db2.gz JUQFQRVKNUCTGI-RKDXNWHRSA-N 0 0 342.321 1.176 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)noc2C)cn1 ZINC000818602400 593707127 /nfs/dbraw/zinc/70/71/27/593707127.db2.gz LJHPDWHEOLHVJC-LSDHHAIUSA-N 0 0 334.376 1.013 10 0 EDAERN Cc1noc(COC2CN(C(=O)C[C@@H](O)c3cccc(F)c3)C2)n1 ZINC000818661517 593710990 /nfs/dbraw/zinc/71/09/90/593710990.db2.gz ATVQVXIDJGJPDA-CQSZACIVSA-N 0 0 335.335 1.368 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)[C@@H](C)c2cccc(O)c2)cn1 ZINC000823345952 594189855 /nfs/dbraw/zinc/18/98/55/594189855.db2.gz GAFZOADTLAUFHH-AFAVFJNCSA-N 0 0 345.399 1.675 10 0 EDAERN O=C(COC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCOCC1 ZINC000109153514 595764624 /nfs/dbraw/zinc/76/46/24/595764624.db2.gz ZLJXSWQNWWZLGB-NEPJUHHUSA-N 0 0 325.311 1.470 10 0 EDAERN CCN1C[C@H](COC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1=O ZINC000123923158 596799308 /nfs/dbraw/zinc/79/93/08/596799308.db2.gz SJGGSXFWSJEKFT-CJNGLKHVSA-N 0 0 326.437 1.585 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)O1 ZINC000124023515 596866447 /nfs/dbraw/zinc/86/64/47/596866447.db2.gz IVTIUJIQHUMHTG-BXUZGUMPSA-N 0 0 332.356 1.191 10 0 EDAERN C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccccc1Cl ZINC000126671833 597548819 /nfs/dbraw/zinc/54/88/19/597548819.db2.gz KOHXKMGYAWHKFU-MNOVXSKESA-N 0 0 330.837 1.294 10 0 EDAERN COc1ccc(Br)cc1COC(=O)[C@@H]1CNC(=O)C1 ZINC000194779701 698854625 /nfs/dbraw/zinc/85/46/25/698854625.db2.gz PPHBFXQWPVPSBU-QMMMGPOBSA-N 0 0 328.162 1.637 10 0 EDAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O[C@@H](C)CN1CCOCC1 ZINC000181620738 699856613 /nfs/dbraw/zinc/85/66/13/699856613.db2.gz GTCHGYAICCAMGJ-KBXCAEBGSA-N 0 0 346.427 1.224 10 0 EDAERN Cn1cc([C@@H]2[C@@H](C(=O)OCC3(C)CCOCC3)CCC(=O)N2C)cn1 ZINC000185563075 704560799 /nfs/dbraw/zinc/56/07/99/704560799.db2.gz VIUMPOVYFPYBSO-GOEBONIOSA-N 0 0 349.431 1.690 10 0 EDAERN C[N@H+](CC(=O)[O-])C1CCN(CC(=O)NC2CCCCCCC2)CC1 ZINC000186675521 712131570 /nfs/dbraw/zinc/13/15/70/712131570.db2.gz QBHUYTCLHMHVMH-UHFFFAOYSA-N 0 0 339.480 1.696 10 0 EDAERN CO[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1N ZINC000050368277 214054346 /nfs/dbraw/zinc/05/43/46/214054346.db2.gz GPXACAFEOBUNEF-QWRGUYRKSA-N 0 0 349.250 1.877 10 0 EDAERN CNc1ncc(S(=O)(=O)NCCc2ccc(Cl)cc2)cn1 ZINC000050671485 214066107 /nfs/dbraw/zinc/06/61/07/214066107.db2.gz NSCLRRSJBGXBRL-UHFFFAOYSA-N 0 0 326.809 1.693 10 0 EDAERN CNc1ncc(Br)cc1C(=O)NCc1nc(C)no1 ZINC000050787994 214070122 /nfs/dbraw/zinc/07/01/22/214070122.db2.gz DQFZNWYCOQEPGW-UHFFFAOYSA-N 0 0 326.154 1.507 10 0 EDAERN CCCNc1ncc(Br)cc1C(=O)NCCC(=O)NC ZINC000050787177 214070190 /nfs/dbraw/zinc/07/01/90/214070190.db2.gz XVDLLPAONUMVPG-UHFFFAOYSA-N 0 0 343.225 1.532 10 0 EDAERN CNS(=O)(=O)c1cccc(NC(=O)c2cccc(Cl)n2)c1 ZINC000051073419 214076208 /nfs/dbraw/zinc/07/62/08/214076208.db2.gz FDLCTMSZOYIVFV-UHFFFAOYSA-N 0 0 325.777 1.895 10 0 EDAERN Cn1c2cc(Br)c([C@H](O)[C@@H]3CCOC3)cc2n(C)c1=O ZINC000051952118 214110458 /nfs/dbraw/zinc/11/04/58/214110458.db2.gz VTVRLHNVSYXWCY-AMIZOPFISA-N 0 0 341.205 1.709 10 0 EDAERN Fc1cccc2ncnc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)c12 ZINC000054056586 214212889 /nfs/dbraw/zinc/21/28/89/214212889.db2.gz GVGWFRHWXZQCLW-BBRMVZONSA-N 0 0 346.406 1.918 10 0 EDAERN NS(=O)(=O)c1ccc(NCc2c[nH]cn2)c(Br)c1 ZINC000054764910 214253673 /nfs/dbraw/zinc/25/36/73/214253673.db2.gz YFTJALPTLQNVST-UHFFFAOYSA-N 0 0 331.195 1.432 10 0 EDAERN CCC(=O)N[C@H]1C[C@@H](C(=O)OC)N(Cc2ccc(OC)c(C)c2C)C1 ZINC000055100255 214273322 /nfs/dbraw/zinc/27/33/22/214273322.db2.gz USTZURLFQHWPDB-HOTGVXAUSA-N 0 0 348.443 1.954 10 0 EDAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173692465 231007117 /nfs/dbraw/zinc/00/71/17/231007117.db2.gz VJNYUIWMXSCOCM-INIZCTEOSA-N 0 0 339.399 1.569 10 0 EDAERN O=C(c1cc2[nH]c(=O)[nH]c2cc1Br)[C@@H]1COCCO1 ZINC000055298411 214302857 /nfs/dbraw/zinc/30/28/57/214302857.db2.gz KVURWHKDZUFWSH-JTQLQIEISA-N 0 0 327.134 1.217 10 0 EDAERN COc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000173774648 231030015 /nfs/dbraw/zinc/03/00/15/231030015.db2.gz IVEPTLOAVACGOP-CQSZACIVSA-N 0 0 337.395 1.450 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)[nH]1 ZINC000173735418 231019546 /nfs/dbraw/zinc/01/95/46/231019546.db2.gz PBKRFSLZWJBKGT-GFCCVEGCSA-N 0 0 326.353 1.014 10 0 EDAERN Cc1cccc(C)c1OCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173874723 231057542 /nfs/dbraw/zinc/05/75/42/231057542.db2.gz BDYMHUPCIKVVAK-IRXDYDNUSA-N 0 0 332.444 1.861 10 0 EDAERN Cc1cc(C)cc(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173894081 231062558 /nfs/dbraw/zinc/06/25/58/231062558.db2.gz HBCAJSQCSDMKOR-GOSISDBHSA-N 0 0 331.460 1.962 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173993909 231093645 /nfs/dbraw/zinc/09/36/45/231093645.db2.gz VDXOZETZIYETEC-HNNXBMFYSA-N 0 0 337.851 1.993 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000173998494 231094729 /nfs/dbraw/zinc/09/47/29/231094729.db2.gz HAWMLLKGDVXBQX-CYBMUJFWSA-N 0 0 344.864 1.744 10 0 EDAERN O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000174000548 231095313 /nfs/dbraw/zinc/09/53/13/231095313.db2.gz MQQODCXBJBKYST-ZDUSSCGKSA-N 0 0 332.372 1.060 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1F ZINC000174008183 231097941 /nfs/dbraw/zinc/09/79/41/231097941.db2.gz GCDHVOSUHOZAQG-AWEZNQCLSA-N 0 0 335.379 1.006 10 0 EDAERN CSCC[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000050027343 214040429 /nfs/dbraw/zinc/04/04/29/214040429.db2.gz BVZABQIRMYTKCF-OCCSQVGLSA-N 0 0 335.429 1.360 10 0 endogenous,in-man EDAERN CCS(=O)(=O)Nc1cc(N2CCCC2)ccc1N1CCOCC1 ZINC000057811995 214453415 /nfs/dbraw/zinc/45/34/15/214453415.db2.gz VXGZSVSPYKAEBU-UHFFFAOYSA-N 0 0 339.461 1.885 10 0 EDAERN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)Cc2ccsc2)cn1 ZINC000097954360 219065300 /nfs/dbraw/zinc/06/53/00/219065300.db2.gz MNGRBEJPVMKEEU-KGLIPLIRSA-N 0 0 330.413 1.431 10 0 EDAERN O=S(=O)(NCc1nn2cnnc2s1)c1ccccc1Cl ZINC000049735365 214030365 /nfs/dbraw/zinc/03/03/65/214030365.db2.gz QGVWFDUOMIKWIL-UHFFFAOYSA-N 0 0 329.794 1.318 10 0 EDAERN CC(=O)N1CCN(C(=O)c2nnc(-c3ccccc3Cl)o2)CC1 ZINC000049683948 214026210 /nfs/dbraw/zinc/02/62/10/214026210.db2.gz UYOGUPJSESEDPZ-UHFFFAOYSA-N 0 0 334.763 1.694 10 0 EDAERN CC(=O)N1CCN(C(=O)CCc2ccc3cc(C)c(=O)[nH]c3c2)CC1 ZINC000049681264 214026270 /nfs/dbraw/zinc/02/62/70/214026270.db2.gz DSTPTSJAOXHXNM-UHFFFAOYSA-N 0 0 341.411 1.460 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccnn3C(C)C)CCO2)[nH]1 ZINC000178013576 529700112 /nfs/dbraw/zinc/70/01/12/529700112.db2.gz UZBSFSMHOUFHGH-NSHDSACASA-N 0 0 333.396 1.750 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)c2nc(C)cs2)CC1 ZINC000186813432 529698876 /nfs/dbraw/zinc/69/88/76/529698876.db2.gz LAWKLMBJHMKWPE-OCCSQVGLSA-N 0 0 340.493 1.653 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000178012472 529701021 /nfs/dbraw/zinc/70/10/21/529701021.db2.gz ZJGNOACLHVEJKK-CYBMUJFWSA-N 0 0 333.367 1.789 10 0 EDAERN CCc1ccc([C@@H](COC)NC(=O)N[C@H]2CCCn3ncnc32)o1 ZINC000176549224 529710885 /nfs/dbraw/zinc/71/08/85/529710885.db2.gz PHXHVOSAHHQBMN-QWHCGFSZSA-N 0 0 333.392 1.955 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cnc1Cl ZINC000176747595 231723649 /nfs/dbraw/zinc/72/36/49/231723649.db2.gz CPERLAJCVSGQHT-SNVBAGLBSA-N 0 0 327.797 1.448 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)N(C)c2ccc(C(N)=S)cc2)C1 ZINC000061952478 214688995 /nfs/dbraw/zinc/68/89/95/214688995.db2.gz ZASBBWDRUDRGJZ-LLVKDONJSA-N 0 0 327.475 1.734 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)CN2C(=O)CN(C)C2=O)o1 ZINC000129397011 529726761 /nfs/dbraw/zinc/72/67/61/529726761.db2.gz HSHAASDYGWZMDS-CYBMUJFWSA-N 0 0 333.388 1.790 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)NS(C)(=O)=O)o1 ZINC000173750367 529726834 /nfs/dbraw/zinc/72/68/34/529726834.db2.gz JHGGECHBXUZKOG-DGCLKSJQSA-N 0 0 328.434 1.833 10 0 EDAERN O=C([C@H]1COc2ccccc2O1)N1CCC(Cn2cccn2)CC1 ZINC000062131106 214700502 /nfs/dbraw/zinc/70/05/02/214700502.db2.gz VCKKKZGJTSOMIB-QGZVFWFLSA-N 0 0 327.384 1.962 10 0 EDAERN CCc1nc([C@@H]2C[N@H+](C)CCCN2C)[n-]c(=O)c1Br ZINC000166134528 529745643 /nfs/dbraw/zinc/74/56/43/529745643.db2.gz SHYMDPODDOPMHS-JTQLQIEISA-N 0 0 329.242 1.403 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000154438834 529767115 /nfs/dbraw/zinc/76/71/15/529767115.db2.gz UICKZKCQTNUIIA-LLVKDONJSA-N 0 0 326.828 1.183 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171400176 529795395 /nfs/dbraw/zinc/79/53/95/529795395.db2.gz CYZSQXPMJIBMTN-OAHLLOKOSA-N 0 0 341.415 1.788 10 0 EDAERN COc1ccccc1N1CCN(CC(=O)NCC(F)(F)F)C1=O ZINC000049385625 214003847 /nfs/dbraw/zinc/00/38/47/214003847.db2.gz QDLMLSZTIYSQER-UHFFFAOYSA-N 0 0 331.294 1.616 10 0 EDAERN CC(C)N(CCO)C(=O)CN1CCN(c2cccc(Cl)c2)C1=O ZINC000049381689 214004072 /nfs/dbraw/zinc/00/40/72/214004072.db2.gz UIVKLBNMPPVODA-UHFFFAOYSA-N 0 0 339.823 1.811 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000158563247 529923839 /nfs/dbraw/zinc/92/38/39/529923839.db2.gz JECXVHZKISMYRP-HUUCEWRRSA-N 0 0 344.415 1.102 10 0 EDAERN CCC(C)(C)NC(=O)Cn1c2cccnc2n2c(C)nnc2c1=O ZINC000065172937 214838276 /nfs/dbraw/zinc/83/82/76/214838276.db2.gz RANGZONWCBEZDN-UHFFFAOYSA-N 0 0 328.376 1.052 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000101564563 219138027 /nfs/dbraw/zinc/13/80/27/219138027.db2.gz IGAQHBAEJPQVCB-CQSZACIVSA-N 0 0 328.416 1.575 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000187357010 530016878 /nfs/dbraw/zinc/01/68/78/530016878.db2.gz STJYVGVAUXCIIQ-LBPRGKRZSA-N 0 0 341.477 1.894 10 0 EDAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1O ZINC000155130853 530033125 /nfs/dbraw/zinc/03/31/25/530033125.db2.gz COTCSCWDWIMLEP-UHFFFAOYSA-N 0 0 332.381 1.503 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC(=O)NCC2CC2)[C@@H]1c1ccccc1 ZINC000180916878 530040166 /nfs/dbraw/zinc/04/01/66/530040166.db2.gz RNVXYBAIESBXGC-QAPCUYQASA-N 0 0 343.427 1.239 10 0 EDAERN Cc1nc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000066307189 215032013 /nfs/dbraw/zinc/03/20/13/215032013.db2.gz NAFSHKYHYYBTDB-QMMMGPOBSA-N 0 0 325.415 1.590 10 0 EDAERN Cc1c(N2CC[C@H]([NH3+])C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12 ZINC000003637723 210071019 /nfs/dbraw/zinc/07/10/19/210071019.db2.gz AUUKUAHPMHVZJL-NSHDSACASA-N 0 0 345.374 1.860 10 0 investigational EDAERN O=S(=O)(c1cncc(Br)c1)N1CCCC[C@@H]1CO ZINC000044243418 213613821 /nfs/dbraw/zinc/61/38/21/213613821.db2.gz OELZJAITSWSCIE-SNVBAGLBSA-N 0 0 335.223 1.380 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(CNC(N)=O)cc1)C(C)C ZINC000067239195 215126837 /nfs/dbraw/zinc/12/68/37/215126837.db2.gz KFKWVMODLCCAOI-INIZCTEOSA-N 0 0 348.447 1.980 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000042550880 213514052 /nfs/dbraw/zinc/51/40/52/213514052.db2.gz JHNFMPHQGPJZEC-UHFFFAOYSA-N 0 0 341.216 1.759 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)c2cnn(C)c2N)c2cccs2)CCO1 ZINC000248652453 539690342 /nfs/dbraw/zinc/69/03/42/539690342.db2.gz VIBBFIZRISRJFX-DGCLKSJQSA-N 0 0 349.460 1.256 10 0 EDAERN O=C(CN1C(=O)C(=O)c2cc(Br)c(F)cc21)NC1CC1 ZINC000042135463 213481010 /nfs/dbraw/zinc/48/10/10/213481010.db2.gz YAKXNUDNXZSOQH-UHFFFAOYSA-N 0 0 341.136 1.396 10 0 EDAERN COC[C@@H](C)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000103383535 219294997 /nfs/dbraw/zinc/29/49/97/219294997.db2.gz BKQQGTGVRSXPDO-CYBMUJFWSA-N 0 0 334.416 1.285 10 0 EDAERN COC[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000103392969 219295657 /nfs/dbraw/zinc/29/56/57/219295657.db2.gz GYRQYBFJUNNCNA-LLVKDONJSA-N 0 0 326.343 1.532 10 0 EDAERN Cc1ccccc1[C@H](NC(=O)CN1CCOCC1)c1nccn1C ZINC000041567170 213453435 /nfs/dbraw/zinc/45/34/35/213453435.db2.gz ZZEZHNZLVDFGLR-KRWDZBQOSA-N 0 0 328.416 1.266 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000103429393 219298019 /nfs/dbraw/zinc/29/80/19/219298019.db2.gz GTTJDZXAKHUVCB-ZDUSSCGKSA-N 0 0 343.431 1.139 10 0 EDAERN COC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000103435490 219298942 /nfs/dbraw/zinc/29/89/42/219298942.db2.gz KLCBNNIHAKAOHA-MFKMUULPSA-N 0 0 326.393 1.948 10 0 EDAERN CCCCC(=O)N1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000041179320 213429852 /nfs/dbraw/zinc/42/98/52/213429852.db2.gz LDLDZMQIPMGJQL-UHFFFAOYSA-N 0 0 328.438 1.050 10 0 EDAERN Cn1cnnc1CCNC(=O)c1cc(Br)cnc1Cl ZINC000104062145 219343979 /nfs/dbraw/zinc/34/39/79/219343979.db2.gz AAEVQQWPZJKDAE-UHFFFAOYSA-N 0 0 344.600 1.599 10 0 EDAERN C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000104224028 219362845 /nfs/dbraw/zinc/36/28/45/219362845.db2.gz HZUZXLROTPRZAR-GMSGAONNSA-N 0 0 327.178 1.941 10 0 EDAERN CN(C)[C@H](CNS(=O)(=O)c1cnc(Cl)nc1)c1ccco1 ZINC000040800083 213388978 /nfs/dbraw/zinc/38/89/78/213388978.db2.gz OMBKXQWNEHDAHA-SNVBAGLBSA-N 0 0 330.797 1.304 10 0 EDAERN NC(=O)[C@@]1(Nc2cccc(Br)c2)CCCS(=O)(=O)C1 ZINC000069139015 215362827 /nfs/dbraw/zinc/36/28/27/215362827.db2.gz ZXQTVBLRRQYDEG-GFCCVEGCSA-N 0 0 347.234 1.294 10 0 EDAERN CCOC(=O)[C@@](N)(Cn1nc(C)c(Br)c1C)C1CC1 ZINC000069193852 215368852 /nfs/dbraw/zinc/36/88/52/215368852.db2.gz UWOJLTCICFNQAY-CYBMUJFWSA-N 0 0 330.226 1.933 10 0 EDAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000181042003 234067654 /nfs/dbraw/zinc/06/76/54/234067654.db2.gz SXYYCMJILJBWTP-HIFRSBDPSA-N 0 0 342.399 1.683 10 0 EDAERN COC(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 ZINC000040199112 213281061 /nfs/dbraw/zinc/28/10/61/213281061.db2.gz DMYVXDHFNKNPJL-UHFFFAOYSA-N 0 0 327.340 1.775 10 0 EDAERN Cc1nc2c([nH]1)C[C@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)CC2 ZINC000161936710 540040902 /nfs/dbraw/zinc/04/09/02/540040902.db2.gz JDHIZDLRLABYGO-LLVKDONJSA-N 0 0 348.428 1.833 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCC1(CO)CCC1)C(C)C ZINC000183202545 540137123 /nfs/dbraw/zinc/13/71/23/540137123.db2.gz AAGIWXMHMQAFFZ-INIZCTEOSA-N 0 0 348.443 1.728 10 0 EDAERN COCCN(CCO)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184251142 235347697 /nfs/dbraw/zinc/34/76/97/235347697.db2.gz CDHYGPWFWXGVQY-ZDUSSCGKSA-N 0 0 334.338 1.810 10 0 EDAERN NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(Br)ccc1Cl ZINC000038068561 213199201 /nfs/dbraw/zinc/19/92/01/213199201.db2.gz SDBPANSLYCJXKZ-OIBJUYFYSA-N 0 0 347.596 1.163 10 0 EDAERN COC(=O)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000151754915 291102331 /nfs/dbraw/zinc/10/23/31/291102331.db2.gz WVCXSVCXQYCSQV-CHWSQXEVSA-N 0 0 334.420 1.867 10 0 EDAERN CNC(=O)c1cccc(CCNC(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077848845 138255671 /nfs/dbraw/zinc/25/56/71/138255671.db2.gz ZCBFFJMKQZFFOY-HOTGVXAUSA-N 0 0 333.432 1.439 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000083562285 138269150 /nfs/dbraw/zinc/26/91/50/138269150.db2.gz OWHBPRXZOXAIAP-NSHDSACASA-N 0 0 342.359 1.688 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1ccccc1C ZINC000083740708 138269449 /nfs/dbraw/zinc/26/94/49/138269449.db2.gz FKEUTFABYMPCOG-CABCVRRESA-N 0 0 329.404 1.763 10 0 EDAERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091781119 138284854 /nfs/dbraw/zinc/28/48/54/138284854.db2.gz NMKHDWSUHKJPDO-JQWIXIFHSA-N 0 0 326.780 1.128 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCCOc1ccc(Cl)cc1 ZINC000091784793 138284982 /nfs/dbraw/zinc/28/49/82/138284982.db2.gz BQSDBCQMBGNVCR-ZDUSSCGKSA-N 0 0 326.780 1.212 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000088768775 138272886 /nfs/dbraw/zinc/27/28/86/138272886.db2.gz QQCBBQZLGXFGTH-QMMMGPOBSA-N 0 0 340.854 1.792 10 0 EDAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000092228511 138287102 /nfs/dbraw/zinc/28/71/02/138287102.db2.gz SRWINTKYOADXLU-NSHDSACASA-N 0 0 332.187 1.118 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000093076384 138291631 /nfs/dbraw/zinc/29/16/31/138291631.db2.gz TVAPUAXUFCDCSF-VIFPVBQESA-N 0 0 345.852 1.611 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000118134250 138312706 /nfs/dbraw/zinc/31/27/06/138312706.db2.gz NYTRYRQVNBXRPU-UHFFFAOYSA-N 0 0 339.355 1.601 10 0 EDAERN O=C(Cc1noc2ccccc12)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118673901 138312751 /nfs/dbraw/zinc/31/27/51/138312751.db2.gz CJBCHKFFIDGNIV-CYBMUJFWSA-N 0 0 337.383 1.946 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CSCC(F)(F)F)CCO2)[nH]1 ZINC000120522553 138315917 /nfs/dbraw/zinc/31/59/17/138315917.db2.gz MIYAOESLPKWAPE-MRVPVSSYSA-N 0 0 338.355 1.563 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCNC(=O)C(C)(C)C)C2)c1 ZINC000111848222 138308949 /nfs/dbraw/zinc/30/89/49/138308949.db2.gz PQMVNARNGFMMTE-AWEZNQCLSA-N 0 0 335.452 1.700 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000123683668 138320668 /nfs/dbraw/zinc/32/06/68/138320668.db2.gz MHEIIYVQBLIRQC-OCCSQVGLSA-N 0 0 332.404 1.276 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(-n3ncc4c3nc[nH]c4=O)cc2)O1 ZINC000130831512 138348558 /nfs/dbraw/zinc/34/85/58/138348558.db2.gz CDVJGGAFGVQALH-QMTHXVAHSA-N 0 0 339.355 1.615 10 0 EDAERN COC(=O)CCCN1c2cc(Br)ccc2C(=O)C1=O ZINC000037286904 213137825 /nfs/dbraw/zinc/13/78/25/213137825.db2.gz JFNHQFTWGZXTHN-UHFFFAOYSA-N 0 0 326.146 1.932 10 0 EDAERN O=S(=O)(N[C@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000037382688 213142866 /nfs/dbraw/zinc/14/28/66/213142866.db2.gz QEJJKOVKYYMOLD-ZDUSSCGKSA-N 0 0 345.262 1.822 10 0 EDAERN NS(=O)(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 ZINC000036948454 213127692 /nfs/dbraw/zinc/12/76/92/213127692.db2.gz FOMWSXDLZJOMGT-MRVPVSSYSA-N 0 0 336.207 1.654 10 0 EDAERN CC[C@@H](C)NC(=O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000036141483 213072965 /nfs/dbraw/zinc/07/29/65/213072965.db2.gz LIMGPRCBMKBATI-ZYHUDNBSSA-N 0 0 325.434 1.648 10 0 EDAERN Cc1ncsc1CNS(=O)(=O)c1cccc(C(N)=S)c1 ZINC000071213644 215745173 /nfs/dbraw/zinc/74/51/73/215745173.db2.gz XQMRVTGSNCJESN-UHFFFAOYSA-N 0 0 327.456 1.564 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)C[C@H](C)O1 ZINC000071245252 215745998 /nfs/dbraw/zinc/74/59/98/215745998.db2.gz LVXSZGYCWPBREZ-IUCAKERBSA-N 0 0 332.422 1.258 10 0 EDAERN Cn1nccc1CNC(=O)c1cc(N)c(F)cc1Br ZINC000071332961 215762791 /nfs/dbraw/zinc/76/27/91/215762791.db2.gz AFWIOSYHRVKYOQ-UHFFFAOYSA-N 0 0 327.157 1.834 10 0 EDAERN Nc1ncc(S(=O)(=O)NCc2ccc(Br)s2)cn1 ZINC000071321197 215759741 /nfs/dbraw/zinc/75/97/41/215759741.db2.gz VVRVWCAWXZVZQK-UHFFFAOYSA-N 0 0 349.235 1.361 10 0 EDAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000162515579 138646190 /nfs/dbraw/zinc/64/61/90/138646190.db2.gz DXGMBFIYORUJAF-GDBMZVCRSA-N 0 0 344.415 1.477 10 0 EDAERN COC(=O)[C@H]1CCCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000171468377 138657174 /nfs/dbraw/zinc/65/71/74/138657174.db2.gz HQWJDBSFZDEVLC-DZGCQCFKSA-N 0 0 326.437 1.585 10 0 EDAERN CCOC(=O)CNC(=O)Nc1cccc(I)c1 ZINC000035082487 213007264 /nfs/dbraw/zinc/00/72/64/213007264.db2.gz LNVPISGKSABEKL-UHFFFAOYSA-N 0 0 348.140 1.976 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCC(=O)c3cccs3)CCO2)[nH]1 ZINC000173548976 138671431 /nfs/dbraw/zinc/67/14/31/138671431.db2.gz XWFRZCKVWJIEJF-GFCCVEGCSA-N 0 0 334.401 1.738 10 0 EDAERN CCc1nc(C2(NCC(=O)NCc3cccnc3)CCCC2)no1 ZINC000173697752 138673445 /nfs/dbraw/zinc/67/34/45/138673445.db2.gz RLBZTWHLPBQXSI-UHFFFAOYSA-N 0 0 329.404 1.702 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](CO)c1ccccc1)CC2 ZINC000176229109 138706025 /nfs/dbraw/zinc/70/60/25/138706025.db2.gz UMCSRDOPONFDJP-GJZGRUSLSA-N 0 0 343.431 1.231 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)CCOC3CCOCC3)CCO2)c1 ZINC000175404359 237306541 /nfs/dbraw/zinc/30/65/41/237306541.db2.gz VXMIFMQEFBWWNT-INIZCTEOSA-N 0 0 337.420 1.005 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)NCC(=O)NCC3CC3)C2)n1 ZINC000183775703 138788397 /nfs/dbraw/zinc/78/83/97/138788397.db2.gz QVJKFCGKLXYZTI-CYBMUJFWSA-N 0 0 336.461 1.867 10 0 EDAERN O=C(NCCN1CCOCC1)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000027982182 212591747 /nfs/dbraw/zinc/59/17/47/212591747.db2.gz CDFFDZCGZAAJJS-UHFFFAOYSA-N 0 0 338.795 1.240 10 0 EDAERN CCCCN(CCO)C(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185668980 138807558 /nfs/dbraw/zinc/80/75/58/138807558.db2.gz ICJRZKAJVJUJLI-HUUCEWRRSA-N 0 0 328.453 1.765 10 0 EDAERN CCc1cc(=O)[nH]c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 ZINC000072465904 216247163 /nfs/dbraw/zinc/24/71/63/216247163.db2.gz UPZOWKZXADEOTR-UHFFFAOYSA-N 0 0 336.373 1.504 10 0 EDAERN COC(=O)c1c2c(sc1NC(=O)C(=O)N[C@H]1C[C@@H]1C)CCCC2 ZINC000072618494 216283344 /nfs/dbraw/zinc/28/33/44/216283344.db2.gz BHLLITJDPQNGCG-WPRPVWTQSA-N 0 0 336.413 1.877 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)c3cn4ccnc4s3)CC2)nn1 ZINC000188452648 138841720 /nfs/dbraw/zinc/84/17/20/138841720.db2.gz QOTZOUISUGGKAK-UHFFFAOYSA-N 0 0 342.428 1.847 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188770845 138851362 /nfs/dbraw/zinc/85/13/62/138851362.db2.gz VFBFAIFLSGLBOP-UHFFFAOYSA-N 0 0 333.436 1.200 10 0 EDAERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188862606 138854058 /nfs/dbraw/zinc/85/40/58/138854058.db2.gz XSULADXZJNTZNU-JTQLQIEISA-N 0 0 334.420 1.533 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000132647579 223351242 /nfs/dbraw/zinc/35/12/42/223351242.db2.gz AEAAYMPWCBAURK-GFCCVEGCSA-N 0 0 348.321 1.008 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000132908867 223372821 /nfs/dbraw/zinc/37/28/21/223372821.db2.gz CLVBPWHQURBZKP-BONVTDFDSA-N 0 0 328.334 1.897 10 0 EDAERN CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1c(C)noc1C)C2 ZINC000223665840 241676311 /nfs/dbraw/zinc/67/63/11/241676311.db2.gz ZCXPDNYGGILPIK-INIZCTEOSA-N 0 0 332.404 1.906 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(Br)ccc1O ZINC000189904377 138882425 /nfs/dbraw/zinc/88/24/25/138882425.db2.gz XWZVXQSGEUTISF-MWLCHTKSSA-N 0 0 343.177 1.075 10 0 EDAERN CCN1CCCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1=O ZINC000190457492 138891471 /nfs/dbraw/zinc/89/14/71/138891471.db2.gz JBTXULRHSMMITK-INIZCTEOSA-N 0 0 325.453 1.254 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000190675372 138894975 /nfs/dbraw/zinc/89/49/75/138894975.db2.gz BURFWVKTDOABSV-GFCCVEGCSA-N 0 0 331.416 1.660 10 0 EDAERN COCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1N ZINC000020843499 212175541 /nfs/dbraw/zinc/17/55/41/212175541.db2.gz UKBKYPNJOUMVSR-UHFFFAOYSA-N 0 0 345.787 1.662 10 0 EDAERN COc1ccc(OC)c(CCNC(=S)N2CCC[C@@H](CO)C2)c1 ZINC000020228877 212114060 /nfs/dbraw/zinc/11/40/60/212114060.db2.gz XPFGLCRAKSVTNV-CYBMUJFWSA-N 0 0 338.473 1.825 10 0 EDAERN CCOC(=O)CCC(=O)NC(=S)Nc1ccc(C(=O)NC)cc1 ZINC000020120324 212104160 /nfs/dbraw/zinc/10/41/60/212104160.db2.gz YIJNLJHPEAPPBH-UHFFFAOYSA-N 0 0 337.401 1.203 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C(N)=O)cc1 ZINC000249351048 284164646 /nfs/dbraw/zinc/16/46/46/284164646.db2.gz WIZNMMHHGNOPIM-ZNMIVQPWSA-N 0 0 330.384 1.732 10 0 EDAERN CCN1CCN(C2(C(=O)N(C)CCOC)Cc3ccccc3C2)CC1 ZINC000019789501 212066434 /nfs/dbraw/zinc/06/64/34/212066434.db2.gz LSRHVMCQYUATFJ-UHFFFAOYSA-N 0 0 345.487 1.266 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193605396 138973428 /nfs/dbraw/zinc/97/34/28/138973428.db2.gz FLBVEWULZUSAQM-WCQYABFASA-N 0 0 325.434 1.237 10 0 EDAERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193821906 138979216 /nfs/dbraw/zinc/97/92/16/138979216.db2.gz QPFUXFDWBJORQO-CGTJXYLNSA-N 0 0 345.443 1.096 10 0 EDAERN Cc1csc([C@@H]2CN(S(=O)(=O)N3CCC[C@H](C)C3)CCO2)n1 ZINC000193951372 138982446 /nfs/dbraw/zinc/98/24/46/138982446.db2.gz FXVHBDWNZHETQJ-AAEUAGOBSA-N 0 0 345.490 1.802 10 0 EDAERN Cc1csc([C@@H]2CN(C(=O)NCC3CCOCC3)CCO2)n1 ZINC000194285970 138989088 /nfs/dbraw/zinc/98/90/88/138989088.db2.gz LTNPQYQWVCKNMT-ZDUSSCGKSA-N 0 0 325.434 1.961 10 0 EDAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000195168159 139008464 /nfs/dbraw/zinc/00/84/64/139008464.db2.gz LMFIIBZJAZEPIG-HUUCEWRRSA-N 0 0 338.429 1.259 10 0 EDAERN COc1cccc(OCC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000195254542 139011475 /nfs/dbraw/zinc/01/14/75/139011475.db2.gz SKLNCYBSEMRPNZ-ZDUSSCGKSA-N 0 0 344.415 1.920 10 0 EDAERN COCCN([C@@H]1CCSC1)S(=O)(=O)c1c(N)cccc1F ZINC000045147829 213709364 /nfs/dbraw/zinc/70/93/64/213709364.db2.gz KVUJPSUYADTXEH-SNVBAGLBSA-N 0 0 334.438 1.551 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 ZINC000078076104 217019064 /nfs/dbraw/zinc/01/90/64/217019064.db2.gz VZGSJLZJHJQQBC-HNNXBMFYSA-N 0 0 332.400 1.994 10 0 EDAERN COC(=O)CCCS(=O)(=O)N(C)Cc1cc(N)ccc1Cl ZINC000049061954 213983068 /nfs/dbraw/zinc/98/30/68/213983068.db2.gz MUAONGJNOHSVMR-UHFFFAOYSA-N 0 0 334.825 1.637 10 0 EDAERN Cc1nc(C)c([C@H](C)NS(=O)(=O)c2ccc(NN)nc2)s1 ZINC000049539270 214015569 /nfs/dbraw/zinc/01/55/69/214015569.db2.gz NGHRQWCAIRWELN-QMMMGPOBSA-N 0 0 327.435 1.480 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1ccccc1F ZINC000195519798 139019558 /nfs/dbraw/zinc/01/95/58/139019558.db2.gz NCPVHCZREHBAOK-UHFFFAOYSA-N 0 0 325.365 1.596 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@H]2C[C@@H]2C)C(C)C)c1 ZINC000221902390 139021040 /nfs/dbraw/zinc/02/10/40/139021040.db2.gz WOZUWEURSPRCQC-UVBJJODRSA-N 0 0 334.416 1.983 10 0 EDAERN Cc1nnc(CN(C)CC(=O)N2CCCc3c(N)cccc32)n1C ZINC000237044067 139039021 /nfs/dbraw/zinc/03/90/21/139039021.db2.gz VFAMSYTYWFNZFX-UHFFFAOYSA-N 0 0 328.420 1.117 10 0 EDAERN Cc1nn(C)c2ncc(C(=O)N3CCO[C@H](c4nccs4)C3)cc12 ZINC000110876192 220074099 /nfs/dbraw/zinc/07/40/99/220074099.db2.gz NQNNCOSWXYGLAK-ZDUSSCGKSA-N 0 0 343.412 1.947 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)COc3ccccc3)CCO2)n1 ZINC000110899244 220077821 /nfs/dbraw/zinc/07/78/21/220077821.db2.gz RXBABBZVKBCLQT-QGZVFWFLSA-N 0 0 329.400 1.806 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000111211501 220110722 /nfs/dbraw/zinc/11/07/22/220110722.db2.gz ICNBDSARPAMMOV-GFCCVEGCSA-N 0 0 338.408 1.351 10 0 EDAERN O=C1[C@H](N2CCO[C@H](c3nccs3)C2)CCN1CC(F)(F)F ZINC000111213693 220112332 /nfs/dbraw/zinc/11/23/32/220112332.db2.gz JVQQUDKPQGWLPN-ZJUUUORDSA-N 0 0 335.351 1.680 10 0 EDAERN O=C(CNC(=O)c1cc2ccccc2[nH]1)NC[C@@H]1CCCC[C@@H]1O ZINC000080433555 217303511 /nfs/dbraw/zinc/30/35/11/217303511.db2.gz PYFIGXXQWNUVAQ-BBRMVZONSA-N 0 0 329.400 1.565 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111360525 220146292 /nfs/dbraw/zinc/14/62/92/220146292.db2.gz KBAKTCAMQTZSCU-HNNXBMFYSA-N 0 0 349.412 1.175 10 0 EDAERN CC(C)N(CCO)c1nc2nonc2nc1NCc1ccccc1 ZINC000015067993 211794878 /nfs/dbraw/zinc/79/48/78/211794878.db2.gz QTPGAUIUCQHPFC-UHFFFAOYSA-N 0 0 328.376 1.832 10 0 EDAERN O=C(CN1C(=O)N/C(=C\c2cccc(O)c2)C1=O)N1CCCCC1 ZINC000015052533 211792419 /nfs/dbraw/zinc/79/24/19/211792419.db2.gz TYQLBUIYFRMGLM-UVTDQMKNSA-N 0 0 329.356 1.297 10 0 EDAERN CCc1cccc2c(CCNC(=O)NC[C@@H]3CN(C)CCO3)c[nH]c21 ZINC000111493101 220162035 /nfs/dbraw/zinc/16/20/35/220162035.db2.gz UYFQMADMEPAJRM-MRXNPFEDSA-N 0 0 344.459 1.903 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCc3nnc4n3CCCC4)C2)c1 ZINC000111830598 220201349 /nfs/dbraw/zinc/20/13/49/220201349.db2.gz SBZXERGCLNOLAL-AWEZNQCLSA-N 0 0 343.435 1.666 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCc3cccnc3)CCO2)n1 ZINC000111812672 220195996 /nfs/dbraw/zinc/19/59/96/220195996.db2.gz LWHDGGRHWWMLER-KRWDZBQOSA-N 0 0 343.431 1.548 10 0 EDAERN CCCCOCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111843809 220205959 /nfs/dbraw/zinc/20/59/59/220205959.db2.gz XTXODBINPFNXPU-MRXNPFEDSA-N 0 0 338.452 1.727 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)CC2 ZINC000245420044 139073442 /nfs/dbraw/zinc/07/34/42/139073442.db2.gz BVFDVCCWMCXZFN-JHJVBQTASA-N 0 0 334.420 1.251 10 0 EDAERN CC(C)CCO[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 ZINC000081815498 217448620 /nfs/dbraw/zinc/44/86/20/217448620.db2.gz RBSNFCNBGGXVAP-SJORKVTESA-N 0 0 347.459 1.930 10 0 EDAERN CN1C[C@H](NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CCC1=O ZINC000245684049 139082918 /nfs/dbraw/zinc/08/29/18/139082918.db2.gz GUBNBBLRWFSXMB-IXDOHACOSA-N 0 0 345.443 1.905 10 0 EDAERN COCC[N@@H+]1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)C[C@@H]1C ZINC000245778407 139085903 /nfs/dbraw/zinc/08/59/03/139085903.db2.gz QEHQMZVHNWBLRC-JKSUJKDBSA-N 0 0 347.459 1.560 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000246083443 139094287 /nfs/dbraw/zinc/09/42/87/139094287.db2.gz FTNMHHQEEZNHKV-RRFJBIMHSA-N 0 0 327.388 1.379 10 0 EDAERN C[C@H](CCc1cccn1C)NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246159880 139097184 /nfs/dbraw/zinc/09/71/84/139097184.db2.gz QIGLYWNNSUQCSB-NUJGCVRESA-N 0 0 348.491 1.708 10 0 EDAERN C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246286254 139102606 /nfs/dbraw/zinc/10/26/06/139102606.db2.gz ASGVJRYZPGCITR-RKVPGOIHSA-N 0 0 349.450 1.483 10 0 EDAERN C[C@@H](NC(=O)C1(C(=O)N[C@@H](C)[C@H]2CCCO2)CCC1)[C@@H]1CCCO1 ZINC000246373598 139106150 /nfs/dbraw/zinc/10/61/50/139106150.db2.gz MCAMSQREWUEFFW-PYHGIMPFSA-N 0 0 338.448 1.524 10 0 EDAERN CCOCCN1CCN([C@H]2CCN(c3ccccc3F)C2=O)C[C@@H]1C ZINC000246585348 139113922 /nfs/dbraw/zinc/11/39/22/139113922.db2.gz NZPJEMJOACZYBS-YJBOKZPZSA-N 0 0 349.450 1.974 10 0 EDAERN CC(C)OC(=O)[C@H](C)CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246541387 139112247 /nfs/dbraw/zinc/11/22/47/139112247.db2.gz AQMOVMUXGLXGLO-KEYYUXOJSA-N 0 0 326.437 1.911 10 0 EDAERN CN(C(=O)NC[C@H]1CCCOC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246795762 139121989 /nfs/dbraw/zinc/12/19/89/139121989.db2.gz QJNBEROYUFWRTJ-CABCVRRESA-N 0 0 333.436 1.513 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1ccsc1 ZINC000087249804 217720481 /nfs/dbraw/zinc/72/04/81/217720481.db2.gz NNIMPSBBVDMWJM-VXGBXAGGSA-N 0 0 335.433 1.770 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(C)cc2Cl)C[C@@H]1C ZINC000247017819 139131670 /nfs/dbraw/zinc/13/16/70/139131670.db2.gz HMCMZZSTEWPLMH-ZDUSSCGKSA-N 0 0 346.880 1.990 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000247079441 139134869 /nfs/dbraw/zinc/13/48/69/139134869.db2.gz SRLVUMBHCFEQLJ-PVAVHDDUSA-N 0 0 342.443 1.528 10 0 EDAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000247079721 139134779 /nfs/dbraw/zinc/13/47/79/139134779.db2.gz SXKGYVUGAHQPRL-BRWVUGGUSA-N 0 0 343.431 1.433 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)C[C@@H]1C ZINC000247105762 139135695 /nfs/dbraw/zinc/13/56/95/139135695.db2.gz IQCWUKRTFNMEDE-GVDBMIGSSA-N 0 0 333.476 1.905 10 0 EDAERN C[C@@H](C(=O)NCc1ccccc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247133564 139136873 /nfs/dbraw/zinc/13/68/73/139136873.db2.gz KMCOAORVKQAEJA-GOEBONIOSA-N 0 0 346.406 1.428 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(F)c(C)c2)C[C@@H]1C ZINC000247151078 139137797 /nfs/dbraw/zinc/13/77/97/139137797.db2.gz PXGYBVRBVUXVOL-ZDUSSCGKSA-N 0 0 330.425 1.475 10 0 EDAERN CCOCCN1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000247240653 139142074 /nfs/dbraw/zinc/14/20/74/139142074.db2.gz SIDJIZTWZITXHY-IXDOHACOSA-N 0 0 325.497 1.819 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000247271177 139143104 /nfs/dbraw/zinc/14/31/04/139143104.db2.gz ZKVGWMWEPJSGGW-LBPRGKRZSA-N 0 0 347.868 1.385 10 0 EDAERN O=C(c1cccc(Br)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000155218235 284702237 /nfs/dbraw/zinc/70/22/37/284702237.db2.gz GFOIHUJHMRRIDU-LLVKDONJSA-N 0 0 340.221 1.391 10 0 EDAERN C[C@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1N1CCOCC1 ZINC000248387372 139161305 /nfs/dbraw/zinc/16/13/05/139161305.db2.gz PDLAXKMWNFBNJA-XJKSGUPXSA-N 0 0 331.464 1.643 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)COCc2cccs2)n1 ZINC000248446437 139164357 /nfs/dbraw/zinc/16/43/57/139164357.db2.gz CNOZTWGOGPRUCT-OCCSQVGLSA-N 0 0 339.417 1.391 10 0 EDAERN Cc1ncc(C(=O)N[C@H](C)c2cnn(-c3ccccc3F)c2)c(=O)[nH]1 ZINC000091616255 218031846 /nfs/dbraw/zinc/03/18/46/218031846.db2.gz ODJCXDLTTRTULF-SNVBAGLBSA-N 0 0 341.346 1.894 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(N)cc1 ZINC000248654854 139170519 /nfs/dbraw/zinc/17/05/19/139170519.db2.gz VZJDCIQHIGETPY-GLQYFDAESA-N 0 0 338.429 1.764 10 0 EDAERN CCn1cc(C(=O)C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1 ZINC000091776422 218064291 /nfs/dbraw/zinc/06/42/91/218064291.db2.gz QGHRULXHJQSRBC-WFASDCNBSA-N 0 0 349.337 1.698 10 0 EDAERN CO[C@@H]1CC[C@@H]2OCCN(Cc3nnnn3CC(F)(F)F)[C@H]2C1 ZINC000248746240 139174073 /nfs/dbraw/zinc/17/40/73/139174073.db2.gz FLYNJJXLRCMUQJ-VWYCJHECSA-N 0 0 335.330 1.004 10 0 EDAERN NC(=O)[C@H]1COCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000092229436 218127548 /nfs/dbraw/zinc/12/75/48/218127548.db2.gz QQLDXHMJJLNYGC-GFCCVEGCSA-N 0 0 336.779 1.119 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cn(C)nc1C(C)(C)C ZINC000092870749 218178809 /nfs/dbraw/zinc/17/88/09/218178809.db2.gz VZEMMABGOUQAPS-GFCCVEGCSA-N 0 0 346.435 1.720 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1nnc2n1CCCC2 ZINC000248931698 139180919 /nfs/dbraw/zinc/18/09/19/139180919.db2.gz XWYFWWIXWURKRO-IACUBPJLSA-N 0 0 333.436 1.932 10 0 EDAERN Cc1ccc(N2CCCN(Cc3cc(C(N)=O)cs3)CC2)nn1 ZINC000093272245 218209583 /nfs/dbraw/zinc/20/95/83/218209583.db2.gz VDYIWNNAIIYQCO-UHFFFAOYSA-N 0 0 331.445 1.658 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1=O ZINC000093285070 218211080 /nfs/dbraw/zinc/21/10/80/218211080.db2.gz JNCODSHVQWDCRS-NSHDSACASA-N 0 0 341.358 1.526 10 0 EDAERN CC[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCN1C[C@H](C)O ZINC000249104420 139185860 /nfs/dbraw/zinc/18/58/60/139185860.db2.gz QDMJOWKLZOSAML-KBPBESRZSA-N 0 0 334.464 1.596 10 0 EDAERN O=S(=O)(CC1CCOCC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249428121 139193173 /nfs/dbraw/zinc/19/31/73/139193173.db2.gz GHPNBLLPGRCIMY-GJZGRUSLSA-N 0 0 345.486 1.512 10 0 EDAERN O=C1N[C@@H](c2ccccc2OCc2ccccn2)N2CCOC[C@H]12 ZINC000093884040 218255446 /nfs/dbraw/zinc/25/54/46/218255446.db2.gz QFVWVMODPSRULC-NVXWUHKLSA-N 0 0 325.368 1.490 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C[S@@](=O)c2ncc(F)cn2)C1 ZINC000095084359 218275562 /nfs/dbraw/zinc/27/55/62/218275562.db2.gz WFZYVGFDWUDRNP-MGUXCZDKSA-N 0 0 329.397 1.980 10 0 EDAERN O[C@@H]1CCCC[C@@H]1Nc1cc(N[C@@H]2CCCC[C@@H]2O)n2ncnc2n1 ZINC000251708695 139202495 /nfs/dbraw/zinc/20/24/95/139202495.db2.gz KINYZZQUBJWUNA-DGAVXFQQSA-N 0 0 346.435 1.555 10 0 EDAERN COCCN1C(=O)c2ccc(C(=O)Nc3nc(C)cs3)cc2C1=O ZINC000008909653 211017370 /nfs/dbraw/zinc/01/73/70/211017370.db2.gz SYDMYJBOYLRPEQ-UHFFFAOYSA-N 0 0 345.380 1.946 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000187781434 272952908 /nfs/dbraw/zinc/95/29/08/272952908.db2.gz SPINGRDTBLXKLI-BFHYXJOUSA-N 0 0 332.466 1.074 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000262597876 139289290 /nfs/dbraw/zinc/28/92/90/139289290.db2.gz ZVSRGQAKHRXSAC-UHFFFAOYSA-N 0 0 327.450 1.423 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCCO1 ZINC000153404180 224099307 /nfs/dbraw/zinc/09/93/07/224099307.db2.gz FIQYJFXPAHAXJK-CJNGLKHVSA-N 0 0 342.399 1.554 10 0 EDAERN Cc1c(C(=O)N[C@H]2CCc3ncnn3C2)cnn1Cc1ccccc1 ZINC000112655126 220365759 /nfs/dbraw/zinc/36/57/59/220365759.db2.gz GEAGEYRUDDQDCS-HNNXBMFYSA-N 0 0 336.399 1.576 10 0 EDAERN O=C(Cc1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112647798 220362677 /nfs/dbraw/zinc/36/26/77/220362677.db2.gz BNFBFXJTXZPGRZ-LBPRGKRZSA-N 0 0 335.205 1.714 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccnc(OCc2ccccc2)c1 ZINC000112652606 220364010 /nfs/dbraw/zinc/36/40/10/220364010.db2.gz WHKWYFJUCSHXMA-MRXNPFEDSA-N 0 0 349.394 1.997 10 0 EDAERN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112651365 220364418 /nfs/dbraw/zinc/36/44/18/220364418.db2.gz KFIGKKJSXMYDFX-AWEZNQCLSA-N 0 0 337.383 1.915 10 0 EDAERN O=C(Nc1cnc(-c2ccccc2)nc1)N[C@@H]1CCc2ncnn2C1 ZINC000112712267 220383399 /nfs/dbraw/zinc/38/33/99/220383399.db2.gz INVUSTCBOQHLRG-CYBMUJFWSA-N 0 0 335.371 1.872 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)/C=C\c3ncccc3C)CCO2)c1 ZINC000492556262 255179506 /nfs/dbraw/zinc/17/95/06/255179506.db2.gz YTZJFEMNXOKMQX-KJPDOMRESA-N 0 0 326.400 1.836 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccccn2)CC1 ZINC000115633743 220881891 /nfs/dbraw/zinc/88/18/91/220881891.db2.gz MSHZPSJWQKLIMK-UHFFFAOYSA-N 0 0 328.420 1.782 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CCS(=O)(=O)C3CCCC3)C2)cn1 ZINC000116115258 220930537 /nfs/dbraw/zinc/93/05/37/220930537.db2.gz ACOGCYUOFAYCRY-ZDUSSCGKSA-N 0 0 339.461 1.484 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(-c4ccco4)[nH]c3=O)C2)cn1 ZINC000116120566 220932139 /nfs/dbraw/zinc/93/21/39/220932139.db2.gz OULATVRLSFQYIZ-LBPRGKRZSA-N 0 0 338.367 1.998 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000117276293 221041683 /nfs/dbraw/zinc/04/16/83/221041683.db2.gz JJBYWIUJOATDDJ-CYBMUJFWSA-N 0 0 345.447 1.460 10 0 EDAERN COCCN1CCN(C(=O)CCc2nc(C(C)(C)C)no2)C[C@H]1C ZINC000117296174 221048188 /nfs/dbraw/zinc/04/81/88/221048188.db2.gz RCUJEUZTBUJVEX-CYBMUJFWSA-N 0 0 338.452 1.479 10 0 EDAERN CN(C)c1cccc([C@H]2CCCN2C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000117965396 221103834 /nfs/dbraw/zinc/10/38/34/221103834.db2.gz AVBVISNCLAICQY-QZTJIDSGSA-N 0 0 346.475 1.930 10 0 EDAERN Cc1cnn(CCNC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000117815119 221092916 /nfs/dbraw/zinc/09/29/16/221092916.db2.gz LCUKXMMXXBEJKM-UHFFFAOYSA-N 0 0 333.436 1.236 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@@H](O)COc2cccc(C)c2)c1 ZINC000118080512 221112610 /nfs/dbraw/zinc/11/26/10/221112610.db2.gz ZZGWJZVKQHGAIK-OAHLLOKOSA-N 0 0 332.404 1.239 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000118079096 221112692 /nfs/dbraw/zinc/11/26/92/221112692.db2.gz OERMEUZZXGOQGZ-CVEARBPZSA-N 0 0 349.479 1.918 10 0 EDAERN COC(=O)c1cc(CN(C)C(=O)NCCn2cc(C)cn2)oc1C ZINC000118079312 221113053 /nfs/dbraw/zinc/11/30/53/221113053.db2.gz RXNHFNUIRDZKFP-UHFFFAOYSA-N 0 0 334.376 1.721 10 0 EDAERN Cc1noc(C)c1CCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118674581 221168328 /nfs/dbraw/zinc/16/83/28/221168328.db2.gz UNQZBANSALOHSR-CQSZACIVSA-N 0 0 329.404 1.799 10 0 EDAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2sc(Cl)nc2C)C1 ZINC000118911140 221202357 /nfs/dbraw/zinc/20/23/57/221202357.db2.gz GBOGDGYGRYMCJI-MRVPVSSYSA-N 0 0 338.838 1.679 10 0 EDAERN COc1ncccc1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000119417599 221316010 /nfs/dbraw/zinc/31/60/10/221316010.db2.gz SOHRGEAYCQOCQL-UHFFFAOYSA-N 0 0 343.387 1.168 10 0 EDAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccccc2F)CC1 ZINC000119451401 221324151 /nfs/dbraw/zinc/32/41/51/221324151.db2.gz ITKLADDIMIOAJA-UHFFFAOYSA-N 0 0 330.363 1.904 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000119602763 221357972 /nfs/dbraw/zinc/35/79/72/221357972.db2.gz NXKIQBPVSREUOX-AWEZNQCLSA-N 0 0 346.349 1.617 10 0 EDAERN COC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc(Cl)c1)C2 ZINC000253613824 257657448 /nfs/dbraw/zinc/65/74/48/257657448.db2.gz OMEZNLISYUWRIS-CYBMUJFWSA-N 0 0 329.849 1.976 10 0 EDAERN Cc1nc(COC[C@]23CCO[C@H]2CCN(S(C)(=O)=O)C3)cs1 ZINC000248046889 257666619 /nfs/dbraw/zinc/66/66/19/257666619.db2.gz QRVIZBOJZPZNDW-UONOGXRCSA-N 0 0 346.474 1.409 10 0 EDAERN Cc1cncc(CO[C@H]2CCOC3(CN(C(=O)c4cocn4)C3)C2)c1 ZINC000247940948 257672675 /nfs/dbraw/zinc/67/26/75/257672675.db2.gz URKAXMZIJPHXCN-HNNXBMFYSA-N 0 0 343.383 1.968 10 0 EDAERN CCS(=O)(=O)N1CC[C@@H](OCCOC)[C@H]1Cc1ccncc1 ZINC000247914270 257673296 /nfs/dbraw/zinc/67/32/96/257673296.db2.gz ZBKYSMMOUVYWRA-HUUCEWRRSA-N 0 0 328.434 1.080 10 0 EDAERN COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(OC)c(F)c1)C2 ZINC000247846973 257678223 /nfs/dbraw/zinc/67/82/23/257678223.db2.gz NGJGSGHCTNQASJ-NHYWBVRUSA-N 0 0 345.392 1.118 10 0 EDAERN O=C(NC[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12)c1ccccc1 ZINC000247448388 257682587 /nfs/dbraw/zinc/68/25/87/257682587.db2.gz ZBQAKBQYBHEMFG-KBMXLJTQSA-N 0 0 342.374 1.497 10 0 EDAERN O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NC1CCC1 ZINC000055060537 258060966 /nfs/dbraw/zinc/06/09/66/258060966.db2.gz XETSPMZFLDLXBK-ZGRWHYIRSA-N 0 0 327.428 1.559 10 0 EDAERN COCc1csc(NC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000174398676 533265834 /nfs/dbraw/zinc/26/58/34/533265834.db2.gz IKXYYBMQTGZMFM-LBPRGKRZSA-N 0 0 326.422 1.228 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCOc2ccccc21 ZINC000155327987 533285630 /nfs/dbraw/zinc/28/56/30/533285630.db2.gz MFRIUHZJLMJRRR-KBPBESRZSA-N 0 0 342.399 1.942 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(Br)cc1C(=O)[O-])C1C[NH2+]C1 ZINC000164487424 533316637 /nfs/dbraw/zinc/31/66/37/533316637.db2.gz XGEONSBYOXKRRJ-SSDOTTSWSA-N 0 0 327.178 1.941 10 0 EDAERN CS(=O)(=O)CCCCCNC(=O)N[C@@H]1COc2ccccc21 ZINC000187705265 533341467 /nfs/dbraw/zinc/34/14/67/533341467.db2.gz FQLKRAOLEGIYAN-CYBMUJFWSA-N 0 0 326.418 1.634 10 0 EDAERN COc1c(C)cnc(CN(C)C(=O)NC[C@H]2CN(C)CCO2)c1C ZINC000171705112 533408103 /nfs/dbraw/zinc/40/81/03/533408103.db2.gz ZBADWMJZLSASSY-AWEZNQCLSA-N 0 0 336.436 1.179 10 0 EDAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000186522536 296474960 /nfs/dbraw/zinc/47/49/60/296474960.db2.gz FGURJGXJGSWPFU-RYUDHWBXSA-N 0 0 335.376 1.480 10 0 EDAERN Cc1cc(NS(=O)(=O)N(C)C)ccc1N1CCCCS1(=O)=O ZINC000036090304 132391243 /nfs/dbraw/zinc/39/12/43/132391243.db2.gz KCYCNEZUHNYNLU-UHFFFAOYSA-N 0 0 347.462 1.143 10 0 EDAERN O=C(COc1ccc(F)cc1)Nc1ccccc1N1CCNC(=O)C1 ZINC000049412906 132430317 /nfs/dbraw/zinc/43/03/17/132430317.db2.gz XBWBJFSBJNDYJQ-UHFFFAOYSA-N 0 0 343.358 1.779 10 0 EDAERN CC[C@H]1C[C@@H](C(=O)N2CCC(c3ccnn3CCO)CC2)CC(=O)N1 ZINC000329473900 140731732 /nfs/dbraw/zinc/73/17/32/140731732.db2.gz ZVOXSVDROATZQN-CABCVRRESA-N 0 0 348.447 1.727 10 0 EDAERN O=C([C@H]1CCN1Cc1ccccc1)N1CCO[C@@H](c2ncon2)C1 ZINC000329938663 140784538 /nfs/dbraw/zinc/78/45/38/140784538.db2.gz ALSXIUIUIIRXSG-HUUCEWRRSA-N 0 0 328.372 1.244 10 0 EDAERN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CC(O)(C4CC4)C3)c(C)c12 ZINC000330070306 140799783 /nfs/dbraw/zinc/79/97/83/140799783.db2.gz WYTCREBRGGNZNY-UHFFFAOYSA-N 0 0 344.415 1.207 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000330228136 140819903 /nfs/dbraw/zinc/81/99/03/140819903.db2.gz VFIHUHIQVCCJFD-YPMHNXCESA-N 0 0 342.359 1.262 10 0 EDAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333437929 141317013 /nfs/dbraw/zinc/31/70/13/141317013.db2.gz JDKOGCLUVUZZKV-STQMWFEESA-N 0 0 349.460 1.212 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@H]([C@@H]4CCOC4)C3)nc2n1 ZINC000333555388 141336154 /nfs/dbraw/zinc/33/61/54/141336154.db2.gz QSAHOFCRQLEEPV-UONOGXRCSA-N 0 0 329.404 1.169 10 0 EDAERN Cn1cnc2cc(C(=O)N3CCC(C)(C)S(=O)(=O)CC3)cnc21 ZINC000333701670 141361581 /nfs/dbraw/zinc/36/15/81/141361581.db2.gz KQYKMXPXTXEGOK-UHFFFAOYSA-N 0 0 336.417 1.008 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCC2 ZINC000189102182 286244079 /nfs/dbraw/zinc/24/40/79/286244079.db2.gz SHAGSWFMHOLCPW-KLHDSHLOSA-N 0 0 338.448 1.164 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCC(C)(O)CC2)C12CCOCC2 ZINC000185677700 286259563 /nfs/dbraw/zinc/25/95/63/286259563.db2.gz DABADDHKMJOPLP-ZIAGYGMSSA-N 0 0 326.437 1.517 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)C12CCOCC2 ZINC000187063621 286343886 /nfs/dbraw/zinc/34/38/86/286343886.db2.gz YIZWQMIBMCSEDC-UONOGXRCSA-N 0 0 340.464 1.629 10 0 EDAERN Cc1ccc2c(c1)N(S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C[C@H](C)O2 ZINC000246244798 292334915 /nfs/dbraw/zinc/33/49/15/292334915.db2.gz SDAQQJBRJZPPEA-IHRRRGAJSA-N 0 0 340.445 1.936 10 0 EDAERN Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248328101 292344242 /nfs/dbraw/zinc/34/42/42/292344242.db2.gz CRLPQUNZIMKQMY-MGPQQGTHSA-N 0 0 340.445 1.936 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCc1ccc(C)nc1 ZINC000074170222 287268685 /nfs/dbraw/zinc/26/86/85/287268685.db2.gz RMNWHVVCQCWELA-MRXNPFEDSA-N 0 0 332.448 1.975 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2sc(-c3ncccn3)nc2C)C1 ZINC000077652168 287289410 /nfs/dbraw/zinc/28/94/10/287289410.db2.gz SGKODSIGIUYVRX-GFCCVEGCSA-N 0 0 345.428 1.649 10 0 EDAERN Nc1cc(Cl)c(F)c(S(=O)(=O)NC2CCS(=O)CC2)c1 ZINC000157802366 224891417 /nfs/dbraw/zinc/89/14/17/224891417.db2.gz ODPPFHJUBDCRSA-UHFFFAOYSA-N 0 0 340.829 1.251 10 0 EDAERN C[C@H](C(=O)N1CCCC1)n1ncc(I)cc1=O ZINC000158580531 225046601 /nfs/dbraw/zinc/04/66/01/225046601.db2.gz WHPQIJCCGLNZER-MRVPVSSYSA-N 0 0 347.156 1.031 10 0 EDAERN COCCN(Cc1ccc(C)o1)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000158910490 225106452 /nfs/dbraw/zinc/10/64/52/225106452.db2.gz IOYLBSUBKGZEGI-CYBMUJFWSA-N 0 0 334.372 1.975 10 0 EDAERN C[C@@H](C(N)=S)S(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000158932752 225111676 /nfs/dbraw/zinc/11/16/76/225111676.db2.gz FZUNXSONOKUFPP-REOHCLBHSA-N 0 0 334.291 1.798 10 0 EDAERN Nc1cc(I)ccc1N1CCOC[C@@H]1CO ZINC000159003008 225124978 /nfs/dbraw/zinc/12/49/78/225124978.db2.gz MQBAWQPBBUAHSF-VIFPVBQESA-N 0 0 334.157 1.071 10 0 EDAERN CCS(=O)(=O)[C@H]1CSCCN1Cc1nnc(Cl)s1 ZINC000159215727 225171497 /nfs/dbraw/zinc/17/14/97/225171497.db2.gz OXQUSLGBHYOXJI-QMMMGPOBSA-N 0 0 327.884 1.501 10 0 EDAERN NC(=O)c1ccccc1Oc1ncc(I)cn1 ZINC000159246246 225178776 /nfs/dbraw/zinc/17/87/76/225178776.db2.gz FFMYPGIWWVVWOH-UHFFFAOYSA-N 0 0 341.108 1.972 10 0 EDAERN C[C@H](NC(=O)NCC1(CO)COC1)c1cccc(Br)c1 ZINC000120504603 287361938 /nfs/dbraw/zinc/36/19/38/287361938.db2.gz LVKQKHRMPAOCGG-JTQLQIEISA-N 0 0 343.221 1.818 10 0 EDAERN COCC[C@H](C)Oc1ccc(S(N)(=O)=O)cc1Br ZINC000162423232 225804676 /nfs/dbraw/zinc/80/46/76/225804676.db2.gz AIXRZGZCTYWRHQ-QMMMGPOBSA-N 0 0 338.223 1.900 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000162744407 225863787 /nfs/dbraw/zinc/86/37/87/225863787.db2.gz OLDBJYGIQISHNB-NSHDSACASA-N 0 0 344.289 1.808 10 0 EDAERN COCC(C)(C)NS(=O)(=O)c1cc(Br)ccc1N ZINC000167127486 226180422 /nfs/dbraw/zinc/18/04/22/226180422.db2.gz BLNPCKBVMPVGKQ-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(N)cc(Br)c1 ZINC000166153513 226150384 /nfs/dbraw/zinc/15/03/84/226150384.db2.gz WLEPEDIDUVQVON-PRHODGIISA-N 0 0 329.194 1.253 10 0 EDAERN [NH3+][C@H]1COC[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166664313 226163955 /nfs/dbraw/zinc/16/39/55/226163955.db2.gz JYTWTASEOWRHGK-ZJUUUORDSA-N 0 0 329.150 1.060 10 0 EDAERN [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)O1 ZINC000166677425 226165818 /nfs/dbraw/zinc/16/58/18/226165818.db2.gz NVXSXKNSBKTKGB-WDEREUQCSA-N 0 0 343.177 1.592 10 0 EDAERN C[C@H]1C(=O)NC(=O)CN1Cc1ccc(Br)cc1Cl ZINC000168638738 226219700 /nfs/dbraw/zinc/21/97/00/226219700.db2.gz NSYQMBSMPVHJAS-ZETCQYMHSA-N 0 0 331.597 1.949 10 0 EDAERN C[C@@]1(C2CC2)NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168908004 226226804 /nfs/dbraw/zinc/22/68/04/226226804.db2.gz ITKJMPRMPSPRDY-AWEZNQCLSA-N 0 0 338.205 1.471 10 0 EDAERN O=C1Cc2cc([C@H](O)[C@H]3CCCCS3(=O)=O)c(Cl)cc2N1 ZINC000168922024 226227950 /nfs/dbraw/zinc/22/79/50/226227950.db2.gz WEKNOZCBNITGSS-OCCSQVGLSA-N 0 0 329.805 1.835 10 0 EDAERN Cc1ccc(C2=C(N3CCN(C)CC3)C(=O)N(CC(C)C)C2=O)cc1 ZINC000170076779 226604473 /nfs/dbraw/zinc/60/44/73/226604473.db2.gz YXEXYMUCKIJTAX-UHFFFAOYSA-N 0 0 341.455 1.978 10 0 EDAERN O=C(N[C@H]1CCOc2ccccc21)N1CCN(c2cccnn2)CC1 ZINC000171187697 226933133 /nfs/dbraw/zinc/93/31/33/226933133.db2.gz UUCGIZHLQRKCBH-HNNXBMFYSA-N 0 0 339.399 1.832 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CO)cc1OC(F)F ZINC000121237958 221793483 /nfs/dbraw/zinc/79/34/83/221793483.db2.gz NRJUDYAURPUZOD-LLVKDONJSA-N 0 0 328.315 1.518 10 0 EDAERN COCCCNC(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121241677 221795109 /nfs/dbraw/zinc/79/51/09/221795109.db2.gz ZGXKCCUCEZGLDD-IUODEOHRSA-N 0 0 328.359 1.225 10 0 EDAERN CN(C)c1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000122136470 222021450 /nfs/dbraw/zinc/02/14/50/222021450.db2.gz CLSXVSNLDBAVTH-OAHLLOKOSA-N 0 0 340.431 1.679 10 0 EDAERN COc1ncc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)cc1C(N)=O ZINC000122916734 222182503 /nfs/dbraw/zinc/18/25/03/222182503.db2.gz VPCREJXEYAFYGT-OAHLLOKOSA-N 0 0 342.399 1.301 10 0 EDAERN Cc1nc(COC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 ZINC000122944121 222187049 /nfs/dbraw/zinc/18/70/49/222187049.db2.gz ZQQMWPQBBABCOU-DOMZBBRYSA-N 0 0 333.319 1.780 10 0 EDAERN COc1ccc(OCCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171578477 227150155 /nfs/dbraw/zinc/15/01/55/227150155.db2.gz QMYPGOUWOAUEAB-CQSZACIVSA-N 0 0 330.388 1.919 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)N1CCc2sccc2C1 ZINC000171701241 227228461 /nfs/dbraw/zinc/22/84/61/227228461.db2.gz FTGSDSFAMTUUAQ-CQSZACIVSA-N 0 0 331.445 1.561 10 0 EDAERN COc1ccc(CN(CCO)Cc2nnc(C3CC3)n2C)c(OC)c1 ZINC000171978438 227402572 /nfs/dbraw/zinc/40/25/72/227402572.db2.gz CGBPYTNPWGFVIF-UHFFFAOYSA-N 0 0 346.431 1.704 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000132924894 287531701 /nfs/dbraw/zinc/53/17/01/287531701.db2.gz CQUXWXOKECGTKP-OLZOCXBDSA-N 0 0 334.420 1.618 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H]1CO ZINC000189420854 272964536 /nfs/dbraw/zinc/96/45/36/272964536.db2.gz VGITUAQBHQLPBN-YIYPIFLZSA-N 0 0 326.437 1.909 10 0 EDAERN CCN(CC)C(=O)c1ccc(CNC(=O)N2CC(NC(C)=O)C2)cc1 ZINC000189791233 272968577 /nfs/dbraw/zinc/96/85/77/272968577.db2.gz OOPUNMCVAIPBFD-UHFFFAOYSA-N 0 0 346.431 1.199 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(C)c(O)c1 ZINC000089457268 267437314 /nfs/dbraw/zinc/43/73/14/267437314.db2.gz YESXMADDCUDMLK-ZDUSSCGKSA-N 0 0 330.388 1.632 10 0 EDAERN C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccs1 ZINC000176506209 272938140 /nfs/dbraw/zinc/93/81/40/272938140.db2.gz VDBAKMRRLKIQAF-SECBINFHSA-N 0 0 328.415 1.881 10 0 EDAERN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177799337 272942088 /nfs/dbraw/zinc/94/20/88/272942088.db2.gz LBJNEDDOPLCLJM-CQSZACIVSA-N 0 0 348.428 1.096 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)OCCc1cn[nH]c1 ZINC000187610874 272950977 /nfs/dbraw/zinc/95/09/77/272950977.db2.gz UZYCPTJUWJDEQQ-NWDGAFQWSA-N 0 0 327.356 1.843 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCC1CCOCC1 ZINC000154752311 287649410 /nfs/dbraw/zinc/64/94/10/287649410.db2.gz MYKZXBDDAPBCFL-OAHLLOKOSA-N 0 0 346.493 1.466 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000172982901 277056315 /nfs/dbraw/zinc/05/63/15/277056315.db2.gz XVGVERVAOHQXFT-AWEZNQCLSA-N 0 0 326.418 1.393 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 ZINC000333738818 277057333 /nfs/dbraw/zinc/05/73/33/277057333.db2.gz QUZNOAFAWFSIHQ-JTQLQIEISA-N 0 0 334.405 1.666 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000193299015 278072798 /nfs/dbraw/zinc/07/27/98/278072798.db2.gz WLMQQXVVPNFUIB-WBQNTZJQSA-N 0 0 348.468 1.673 10 0 EDAERN CS(=O)(=O)N1CCC(n2cnc3ccc(Cl)cc3c2=O)CC1 ZINC000065034514 278108894 /nfs/dbraw/zinc/10/88/94/278108894.db2.gz QVQPEDMDJNLQGS-UHFFFAOYSA-N 0 0 341.820 1.646 10 0 EDAERN CC1(C)C[C@@H](NC(=O)CCN2C(=O)CCC2=O)c2ccccc2O1 ZINC000121945378 278361348 /nfs/dbraw/zinc/36/13/48/278361348.db2.gz DFXVALDCUYORLE-CYBMUJFWSA-N 0 0 330.384 1.944 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)cc2nccnc21 ZINC000177732322 279136876 /nfs/dbraw/zinc/13/68/76/279136876.db2.gz XDWWVMFZBMHECS-GFCCVEGCSA-N 0 0 326.335 1.934 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000186827089 301649321 /nfs/dbraw/zinc/64/93/21/301649321.db2.gz OOJTUCDGRZBNAK-RISCZKNCSA-N 0 0 325.434 1.094 10 0 EDAERN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000329591820 302146120 /nfs/dbraw/zinc/14/61/20/302146120.db2.gz UDXDOHYREGTJGL-XLNGHYISSA-N 0 0 344.411 1.886 10 0 EDAERN Cc1csc([C@H]2COCCN2C(=O)[C@@H](C)N2CCOCC2)n1 ZINC000330250724 302449109 /nfs/dbraw/zinc/44/91/09/302449109.db2.gz HIGKIXVHGYKIKL-CHWSQXEVSA-N 0 0 325.434 1.072 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@]2(CCCO2)[C@@H]1C(C)C ZINC000328725249 302748224 /nfs/dbraw/zinc/74/82/24/302748224.db2.gz BHWJROKJWNFHOF-LSDHHAIUSA-N 0 0 327.450 1.615 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000045163244 440957910 /nfs/dbraw/zinc/95/79/10/440957910.db2.gz AHSQNPKDDKBHME-LLVKDONJSA-N 0 0 326.356 1.934 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccccc1 ZINC000012877126 441146242 /nfs/dbraw/zinc/14/62/42/441146242.db2.gz RBLXLFGSAJENJH-OAHLLOKOSA-N 0 0 326.352 1.820 10 0 EDAERN COC(=O)c1nc(I)cnc1Br ZINC000098177593 441150830 /nfs/dbraw/zinc/15/08/30/441150830.db2.gz BOEXWRBOBYLLMZ-UHFFFAOYSA-N 0 0 342.918 1.630 10 0 EDAERN CCCN(CCc1ccccn1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000105124499 441235817 /nfs/dbraw/zinc/23/58/17/441235817.db2.gz ZYHSQGWZEDDOCG-INIZCTEOSA-N 0 0 334.464 1.766 10 0 EDAERN O[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H]1O ZINC000015206044 441197412 /nfs/dbraw/zinc/19/74/12/441197412.db2.gz PHAPESVEHHOBEI-YTQIUSBHSA-N 0 0 340.416 1.611 10 0 EDAERN Cc1cc(NCCNc2ccccc2S(C)(=O)=O)n2ncnc2n1 ZINC000080971867 441214634 /nfs/dbraw/zinc/21/46/34/441214634.db2.gz JLJUXGPKSCWYPR-UHFFFAOYSA-N 0 0 346.416 1.360 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1 ZINC000080976795 441216853 /nfs/dbraw/zinc/21/68/53/441216853.db2.gz REMOBSGMYDCIOK-ZDUSSCGKSA-N 0 0 328.420 1.887 10 0 EDAERN NC(=O)[C@@H](c1ccc(F)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000105805222 441274742 /nfs/dbraw/zinc/27/47/42/441274742.db2.gz PVSPZNDLIUJHPO-MRXNPFEDSA-N 0 0 329.379 1.719 10 0 EDAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805269 441275196 /nfs/dbraw/zinc/27/51/96/441275196.db2.gz IIMTVFCGXSJSQH-CYBMUJFWSA-N 0 0 348.451 1.223 10 0 EDAERN CCN(CC)C(=O)[C@@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820517 441279007 /nfs/dbraw/zinc/27/90/07/441279007.db2.gz YGUSNXGEMDNFDQ-AEFFLSMTSA-N 0 0 333.476 1.595 10 0 EDAERN O=C(NCCc1cccnc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000048267228 441281870 /nfs/dbraw/zinc/28/18/70/441281870.db2.gz BNVHFOWHXCKVDM-OAHLLOKOSA-N 0 0 345.424 1.842 10 0 EDAERN CCc1noc([C@H](C)N2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000105865481 441296530 /nfs/dbraw/zinc/29/65/30/441296530.db2.gz MCIFPRVPQWYTKB-LBPRGKRZSA-N 0 0 334.428 1.078 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cnn(C)c3C)CC2)cn1 ZINC000105829624 441284247 /nfs/dbraw/zinc/28/42/47/441284247.db2.gz UKBNFNSMKOCVBJ-UHFFFAOYSA-N 0 0 330.436 1.293 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cccn3C)CC2)cn1 ZINC000105833718 441286155 /nfs/dbraw/zinc/28/61/55/441286155.db2.gz MJHLARMTZXRWGI-UHFFFAOYSA-N 0 0 329.448 1.980 10 0 EDAERN COCCN1CCN(CC(=O)NCc2cc(F)cc(F)c2)C[C@@H]1C ZINC000105833930 441287867 /nfs/dbraw/zinc/28/78/67/441287867.db2.gz SLGGVEGFPFHCMX-ZDUSSCGKSA-N 0 0 341.402 1.234 10 0 EDAERN CCCc1nc(CN2CCN([C@H](C)c3nc(CC)no3)CC2)no1 ZINC000105865446 441296426 /nfs/dbraw/zinc/29/64/26/441296426.db2.gz BPZVQZFELAMGQI-GFCCVEGCSA-N 0 0 334.424 1.846 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081588598 441293780 /nfs/dbraw/zinc/29/37/80/441293780.db2.gz HYDTUFBUUUOQCH-ZDUSSCGKSA-N 0 0 334.401 1.255 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1C ZINC000106100840 441326225 /nfs/dbraw/zinc/32/62/25/441326225.db2.gz XUXBDIRCBIGLKS-VXGBXAGGSA-N 0 0 335.448 1.404 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)CCc2nc(C(C)(C)C)no2)CC1 ZINC000106394054 441337431 /nfs/dbraw/zinc/33/74/31/441337431.db2.gz XNJNWOSLRRPZNP-CYBMUJFWSA-N 0 0 338.452 1.215 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000106397197 441338046 /nfs/dbraw/zinc/33/80/46/441338046.db2.gz YTZPLSCRTPMSGW-SFHVURJKSA-N 0 0 342.443 1.460 10 0 EDAERN CC(C)CCC(=O)NCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105868080 441298615 /nfs/dbraw/zinc/29/86/15/441298615.db2.gz AXUKXKUOEZLBJF-UHFFFAOYSA-N 0 0 333.436 1.432 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccccc3O)CC2)n1 ZINC000105871552 441301576 /nfs/dbraw/zinc/30/15/76/441301576.db2.gz XXKGDROYWVDZON-UHFFFAOYSA-N 0 0 328.372 1.543 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105874961 441302550 /nfs/dbraw/zinc/30/25/50/441302550.db2.gz BMZZVHUVKLACCC-UHFFFAOYSA-N 0 0 349.479 1.149 10 0 EDAERN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1ccc(F)cc1F ZINC000105883056 441305648 /nfs/dbraw/zinc/30/56/48/441305648.db2.gz FPGQGSMZJUZLJN-LBPRGKRZSA-N 0 0 335.358 1.907 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NCC(F)(F)F)C2)n1 ZINC000105884703 441307346 /nfs/dbraw/zinc/30/73/46/441307346.db2.gz MSVCWNNVVHAJFU-LBPRGKRZSA-N 0 0 333.358 1.285 10 0 EDAERN CN(Cc1ccccc1)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105888593 441307720 /nfs/dbraw/zinc/30/77/20/441307720.db2.gz BHCCTYGVWSBSEV-QGZVFWFLSA-N 0 0 328.416 1.243 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C[C@H](C)O1 ZINC000048486428 441309297 /nfs/dbraw/zinc/30/92/97/441309297.db2.gz MACIFLQQBGYGTF-KBPBESRZSA-N 0 0 347.415 1.800 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3ccccc3F)CCO2)n1 ZINC000105893228 441310304 /nfs/dbraw/zinc/31/03/04/441310304.db2.gz YLTLJADHMVTWLX-OAHLLOKOSA-N 0 0 346.406 1.979 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC000105913677 441315231 /nfs/dbraw/zinc/31/52/31/441315231.db2.gz PJDZJEVIKZTNFA-HOTGVXAUSA-N 0 0 325.497 1.819 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCCc1nc2cc(F)ccc2[nH]1)C(C)C ZINC000081805001 441315695 /nfs/dbraw/zinc/31/56/95/441315695.db2.gz VGOYFBARUOEHTG-CQSZACIVSA-N 0 0 336.367 1.741 10 0 EDAERN CN(C)C(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105917448 441316525 /nfs/dbraw/zinc/31/65/25/441316525.db2.gz ZMWWCRWDCZKLBV-UHFFFAOYSA-N 0 0 328.416 1.547 10 0 EDAERN Cc1cc(C)c2c(n1)nc(C(=O)NC[C@@H]1CCCO1)nc2N(C)C ZINC000065231931 441408404 /nfs/dbraw/zinc/40/84/04/441408404.db2.gz QBKQGVHVLJJYSU-LBPRGKRZSA-N 0 0 329.404 1.616 10 0 EDAERN COc1ccc(NC(=O)[C@H]2CCCN(c3cn[nH]c(=O)c3)C2)c(C)c1 ZINC000065313592 441417403 /nfs/dbraw/zinc/41/74/03/441417403.db2.gz BESHCUBJHLOVNS-ZDUSSCGKSA-N 0 0 342.399 1.942 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000107746571 441428750 /nfs/dbraw/zinc/42/87/50/441428750.db2.gz WBJSLLKTLGTWAG-ZDUSSCGKSA-N 0 0 327.812 1.478 10 0 EDAERN C[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000028499955 441433430 /nfs/dbraw/zinc/43/34/30/441433430.db2.gz UJCRXTOPHDKUEM-LLVKDONJSA-N 0 0 346.408 1.680 10 0 EDAERN Cc1nccn1[C@@H](C)CC(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 ZINC000065462789 441438936 /nfs/dbraw/zinc/43/89/36/441438936.db2.gz YHJOPUBJSLZQNB-LBPRGKRZSA-N 0 0 343.431 1.172 10 0 EDAERN CSC[C@H](C)C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000108995103 441483963 /nfs/dbraw/zinc/48/39/63/441483963.db2.gz QTHZJAVKLSQTBF-HOTGVXAUSA-N 0 0 343.537 1.239 10 0 EDAERN O=C(CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)NCC(F)(F)F ZINC000109088816 441487278 /nfs/dbraw/zinc/48/72/78/441487278.db2.gz ZBUGSZCSSWULEV-RKDXNWHRSA-N 0 0 336.260 1.863 10 0 EDAERN O=C(NCCCN1C(=O)CCC1=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109125046 441489468 /nfs/dbraw/zinc/48/94/68/441489468.db2.gz WSGJXLOWMHKLFB-NEPJUHHUSA-N 0 0 336.338 1.724 10 0 EDAERN COC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC000109213477 441491711 /nfs/dbraw/zinc/49/17/11/441491711.db2.gz VIBZKKNEMVVDRQ-GXFFZTMASA-N 0 0 326.393 1.948 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000086432114 441466093 /nfs/dbraw/zinc/46/60/93/441466093.db2.gz OEDOUGAJWPSGKT-MRVPVSSYSA-N 0 0 344.209 1.247 10 0 EDAERN C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000088596005 441514351 /nfs/dbraw/zinc/51/43/51/441514351.db2.gz BMPHZQKQDWCXPY-PXNSSMCTSA-N 0 0 345.487 1.523 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(F)cccc1F ZINC000088787145 441522846 /nfs/dbraw/zinc/52/28/46/441522846.db2.gz SVDNNINOBCYVOK-NSHDSACASA-N 0 0 342.371 1.932 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C)c1 ZINC000088817199 441524242 /nfs/dbraw/zinc/52/42/42/441524242.db2.gz PCPFWABUFURAGM-ZDUSSCGKSA-N 0 0 327.388 1.739 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000111229453 441529523 /nfs/dbraw/zinc/52/95/23/441529523.db2.gz VJDRCERMEUMJPA-AWEZNQCLSA-N 0 0 336.436 1.195 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1c(C)noc1CC ZINC000089398288 441546404 /nfs/dbraw/zinc/54/64/04/441546404.db2.gz LLIDYZINJBTDEN-NSHDSACASA-N 0 0 329.422 1.688 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(O)CCOCC1 ZINC000075229626 441511693 /nfs/dbraw/zinc/51/16/93/441511693.db2.gz DARWPXNQPMKRFL-GOEBONIOSA-N 0 0 348.443 1.489 10 0 EDAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112662521 441553303 /nfs/dbraw/zinc/55/33/03/441553303.db2.gz QFMXYKFGRHJAQL-LBPRGKRZSA-N 0 0 348.428 1.205 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000075976996 441574739 /nfs/dbraw/zinc/57/47/39/441574739.db2.gz RSEVEVNRGUSYCM-DOMZBBRYSA-N 0 0 340.445 1.909 10 0 EDAERN CCOC(=O)c1ccc(N2CCN(C(=O)N[C@H]3C[C@H]3C)CC2)nc1 ZINC000075981834 441575294 /nfs/dbraw/zinc/57/52/94/441575294.db2.gz VQXLQJJFWOWHGV-OCCSQVGLSA-N 0 0 332.404 1.498 10 0 EDAERN O=C(NCCCN1CCOCC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054652823 441590343 /nfs/dbraw/zinc/59/03/43/441590343.db2.gz XUOBPVXBPNRKHF-MSOLQXFVSA-N 0 0 332.444 1.993 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)NCc3ccco3)CC2)n1 ZINC000113361808 441602530 /nfs/dbraw/zinc/60/25/30/441602530.db2.gz PJLXOTVJKMVQOF-UHFFFAOYSA-N 0 0 345.403 1.809 10 0 EDAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000113419151 441607480 /nfs/dbraw/zinc/60/74/80/441607480.db2.gz WFJKAEGCBJQYTE-HUUCEWRRSA-N 0 0 338.354 1.865 10 0 EDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)o1 ZINC000113892295 441626683 /nfs/dbraw/zinc/62/66/83/441626683.db2.gz PITBOTJOGAFMMW-ZDUSSCGKSA-N 0 0 337.401 1.915 10 0 EDAERN CCc1cc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)[nH]n1 ZINC000113922114 441627235 /nfs/dbraw/zinc/62/72/35/441627235.db2.gz GETXOTMUEBTTDF-UHFFFAOYSA-N 0 0 344.463 1.882 10 0 EDAERN CNC(=O)c1cccc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1 ZINC000113932513 441628844 /nfs/dbraw/zinc/62/88/44/441628844.db2.gz YPUUGURDLQHWLO-ZDUSSCGKSA-N 0 0 343.431 1.616 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)Cn1cc(Br)ccc1=O ZINC000076359099 441634893 /nfs/dbraw/zinc/63/48/93/441634893.db2.gz SIGMUPWMEGGTKD-AOOOYVTPSA-N 0 0 329.194 1.247 10 0 EDAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000076364909 441635627 /nfs/dbraw/zinc/63/56/27/441635627.db2.gz ALTKXDPHLBIOEJ-RYUDHWBXSA-N 0 0 331.347 1.621 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000041181150 441637428 /nfs/dbraw/zinc/63/74/28/441637428.db2.gz UJHCKZHCVFEDES-LBPRGKRZSA-N 0 0 346.408 1.906 10 0 EDAERN Cc1cc(OC(F)F)c(C(=O)N[C@H]2CCc3ncnn3C2)s1 ZINC000114357054 441647787 /nfs/dbraw/zinc/64/77/87/441647787.db2.gz SKVBPSZSCVXUKD-QMMMGPOBSA-N 0 0 328.344 1.994 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1F)N1CCOCC1 ZINC000041600943 441662520 /nfs/dbraw/zinc/66/25/20/441662520.db2.gz CHZSQCFZLZRXTM-JTQLQIEISA-N 0 0 343.786 1.255 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1cccc2ccccc21)N1CCOCC1 ZINC000041600621 441662761 /nfs/dbraw/zinc/66/27/61/441662761.db2.gz FEUMVAVUPREBME-CQSZACIVSA-N 0 0 341.411 1.615 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000114836982 441688483 /nfs/dbraw/zinc/68/84/83/441688483.db2.gz BUTDVTXFNAZRPH-CABCVRRESA-N 0 0 347.463 1.893 10 0 EDAERN CCC[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)c1nnn[n-]1 ZINC000136710822 441717982 /nfs/dbraw/zinc/71/79/82/441717982.db2.gz MXSCHASQZLHMGJ-CMPLNLGQSA-N 0 0 331.380 1.367 10 0 EDAERN CCCC[C@@H](C(=O)OC)N1CCN(c2nccc(OCC)n2)CC1 ZINC000173336093 441715452 /nfs/dbraw/zinc/71/54/52/441715452.db2.gz NTXPHVGRWRULCL-AWEZNQCLSA-N 0 0 336.436 1.729 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173336687 441717240 /nfs/dbraw/zinc/71/72/40/441717240.db2.gz PYPVONSFEDUMJN-RDJZCZTQSA-N 0 0 335.448 1.564 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H]3CN(C)CCO3)C2)n1 ZINC000173492711 441768198 /nfs/dbraw/zinc/76/81/98/441768198.db2.gz FUTJOPMJVVCDNP-ZIAGYGMSSA-N 0 0 338.477 1.671 10 0 EDAERN C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1nnc2n1CCCC2 ZINC000121759479 441775277 /nfs/dbraw/zinc/77/52/77/441775277.db2.gz RVEPQMXABYGPSC-NSHDSACASA-N 0 0 338.408 1.934 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2csc(-c3ccccc3)n2)C1 ZINC000115822479 441780440 /nfs/dbraw/zinc/78/04/40/441780440.db2.gz COZZOMYDQLTPBI-HNNXBMFYSA-N 0 0 346.456 1.940 10 0 EDAERN CCC1(CO)CCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000121791435 441781158 /nfs/dbraw/zinc/78/11/58/441781158.db2.gz SXXHLJWSTSGJOJ-AWEZNQCLSA-N 0 0 349.479 1.910 10 0 EDAERN Cc1cccnc1[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)C(C)C ZINC000115839752 441782740 /nfs/dbraw/zinc/78/27/40/441782740.db2.gz UMXYSJSCHOXVFA-ZFWWWQNUSA-N 0 0 328.420 1.993 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(OC(F)F)c3)CCO2)[nH]1 ZINC000173551275 441789053 /nfs/dbraw/zinc/78/90/53/441789053.db2.gz XFXJNUNPVCNNIB-GFCCVEGCSA-N 0 0 338.314 1.928 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@H](c3cnn(C)c3)C1)C2 ZINC000116122111 441795154 /nfs/dbraw/zinc/79/51/54/441795154.db2.gz JBCDLWKBQWFTLY-LSDHHAIUSA-N 0 0 341.411 1.996 10 0 EDAERN CC(=O)N1CCc2cc(C(=O)N3CC[C@H](c4cnn(C)c4)C3)ccc21 ZINC000116117553 441795175 /nfs/dbraw/zinc/79/51/75/441795175.db2.gz CSEXGKPMVIGDJR-INIZCTEOSA-N 0 0 338.411 1.959 10 0 EDAERN CCSCC[C@@H](C)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000173622077 441807112 /nfs/dbraw/zinc/80/71/12/441807112.db2.gz HSAHVJPPMVAJNR-KGLIPLIRSA-N 0 0 326.466 1.825 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)NC(=O)NC3CCCCC3)C2)cn1 ZINC000116318681 441811278 /nfs/dbraw/zinc/81/12/78/441811278.db2.gz LKJOOOHBPKGFHG-ZDUSSCGKSA-N 0 0 333.436 1.368 10 0 EDAERN Cc1cc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1C(N)=O ZINC000116498899 441825747 /nfs/dbraw/zinc/82/57/47/441825747.db2.gz XGMSLOHAMASVTE-GFCCVEGCSA-N 0 0 327.388 1.849 10 0 EDAERN CCOc1ncccc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173773632 441837375 /nfs/dbraw/zinc/83/73/75/441837375.db2.gz CJXUTWKJMPZFCW-HNNXBMFYSA-N 0 0 334.420 1.096 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000173783236 441840579 /nfs/dbraw/zinc/84/05/79/441840579.db2.gz KZSKKCNSEUIUOO-INIZCTEOSA-N 0 0 335.452 1.006 10 0 EDAERN CN(C)C(=O)COC(=O)c1ccc(Cl)cc1OCC(=O)N(C)C ZINC000140671101 441842284 /nfs/dbraw/zinc/84/22/84/441842284.db2.gz ISYZEMMSIFTORL-UHFFFAOYSA-N 0 0 342.779 1.052 10 0 EDAERN C[C@@H]1CN(C(=O)CSCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000173807203 441843367 /nfs/dbraw/zinc/84/33/67/441843367.db2.gz RDVRVLMDEWEJIB-ZBFHGGJFSA-N 0 0 335.473 1.494 10 0 EDAERN COCCOCCS(=O)(=O)c1ccc(C(F)(F)F)cc1N ZINC000149824188 441927331 /nfs/dbraw/zinc/92/73/31/441927331.db2.gz JLOAZMCXTOTYGE-UHFFFAOYSA-N 0 0 327.324 1.724 10 0 EDAERN CCn1cc(NC(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000174000712 441876213 /nfs/dbraw/zinc/87/62/13/441876213.db2.gz RYCPCKMMVNKOGL-CYBMUJFWSA-N 0 0 344.423 1.525 10 0 EDAERN Cn1cc([C@H](O)CNc2ccccc2S(=O)(=O)C(F)(F)F)cn1 ZINC000078374803 441925846 /nfs/dbraw/zinc/92/58/46/441925846.db2.gz DRIIHYLOZCVCHS-LLVKDONJSA-N 0 0 349.334 1.859 10 0 EDAERN Cn1cc(-n2ccc(=O)c(Cc3cccc(-n4cccn4)c3)n2)cn1 ZINC000118337546 441894660 /nfs/dbraw/zinc/89/46/60/441894660.db2.gz SECRVMANNRTSAR-UHFFFAOYSA-N 0 0 332.367 1.743 10 0 EDAERN Cc1nc(C)c(CCNC(=O)N2CCC[C@H](n3cncn3)C2)s1 ZINC000174804764 441970729 /nfs/dbraw/zinc/97/07/29/441970729.db2.gz OGVMFCSJNQOUJS-ZDUSSCGKSA-N 0 0 334.449 1.941 10 0 EDAERN CCCNC(=O)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000174650621 441949246 /nfs/dbraw/zinc/94/92/46/441949246.db2.gz NBVUSDAVTBWEQZ-CYBMUJFWSA-N 0 0 329.404 1.759 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCCCO[C@H]1CCOC1)C(C)C ZINC000150813104 441955605 /nfs/dbraw/zinc/95/56/05/441955605.db2.gz GTYKYDOYHJJSPU-HOCLYGCPSA-N 0 0 328.453 1.485 10 0 EDAERN COC(=O)c1cccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000175014882 441995867 /nfs/dbraw/zinc/99/58/67/441995867.db2.gz NPIPKOVXWIXYOP-CQSZACIVSA-N 0 0 329.360 1.934 10 0 EDAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000125093006 441983239 /nfs/dbraw/zinc/98/32/39/441983239.db2.gz KTINJQLFRZDMPF-CQSZACIVSA-N 0 0 348.428 1.353 10 0 EDAERN CCc1cnc(CCNC(=O)N[C@@H]2CCc3nc(CC)nn3C2)s1 ZINC000174959316 441988904 /nfs/dbraw/zinc/98/89/04/441988904.db2.gz AGNKHHJLTNGCBM-LLVKDONJSA-N 0 0 348.476 1.716 10 0 EDAERN COc1cccc(O[C@@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000175121318 442006918 /nfs/dbraw/zinc/00/69/18/442006918.db2.gz YYBZYSALGRLOFZ-STQMWFEESA-N 0 0 345.403 1.368 10 0 EDAERN CO[C@@H](C)c1noc(CN2CCN(Cc3cnc(C)s3)CC2)n1 ZINC000175187309 442013474 /nfs/dbraw/zinc/01/34/74/442013474.db2.gz YFNNFHWXARCRIV-NSHDSACASA-N 0 0 337.449 1.860 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC3(CC1)OCCO3)CC2 ZINC000161549594 442010507 /nfs/dbraw/zinc/01/05/07/442010507.db2.gz GZUBGHNVGJDSAH-ZDUSSCGKSA-N 0 0 349.435 1.265 10 0 EDAERN C[C@@H](NC(=O)NCCNC(=O)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000175327350 442042694 /nfs/dbraw/zinc/04/26/94/442042694.db2.gz JZSSBUWHHGGMRO-CYBMUJFWSA-N 0 0 341.415 1.759 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000151259371 442032870 /nfs/dbraw/zinc/03/28/70/442032870.db2.gz QPVQMKYQDRWCFM-CJNGLKHVSA-N 0 0 329.462 1.355 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000175336835 442044513 /nfs/dbraw/zinc/04/45/13/442044513.db2.gz GPHFDYPITMQNLG-AWEZNQCLSA-N 0 0 333.367 1.844 10 0 EDAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)co1 ZINC000120423511 442068602 /nfs/dbraw/zinc/06/86/02/442068602.db2.gz WXRUVYNGMQBSTG-QWHCGFSZSA-N 0 0 342.417 1.314 10 0 EDAERN O=C(c1ccccc1-n1cnnn1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000151518920 442077991 /nfs/dbraw/zinc/07/79/91/442077991.db2.gz NQZIBPOVENFHCR-CQSZACIVSA-N 0 0 336.355 1.351 10 0 EDAERN CC[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1ccccc1F ZINC000175734557 442113849 /nfs/dbraw/zinc/11/38/49/442113849.db2.gz KRBFDBWRFRXRBP-KGLIPLIRSA-N 0 0 339.411 1.613 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Nc3cccnn3)CC2)cs1 ZINC000151972671 442148678 /nfs/dbraw/zinc/14/86/78/442148678.db2.gz KPMXEFFYVYVSSQ-UHFFFAOYSA-N 0 0 332.433 1.981 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cc(C(=O)N(C)C)ccn1)C(C)C ZINC000163492021 442169257 /nfs/dbraw/zinc/16/92/57/442169257.db2.gz YJIDESFBNKLBLQ-MRXNPFEDSA-N 0 0 348.447 1.909 10 0 EDAERN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000176282101 442204239 /nfs/dbraw/zinc/20/42/39/442204239.db2.gz ZHQIYNUPPBAIJL-HHXXYDBFSA-N 0 0 343.427 1.665 10 0 EDAERN COC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000163519433 442171738 /nfs/dbraw/zinc/17/17/38/442171738.db2.gz KPIGFVDMQLQAPL-BXUZGUMPSA-N 0 0 349.431 1.211 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)c1cccs1 ZINC000176170878 442185320 /nfs/dbraw/zinc/18/53/20/442185320.db2.gz IURDHIUPSBJCLF-VHSXEESVSA-N 0 0 342.446 1.026 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)C(=O)Nc2ccn(C)n2)no1 ZINC000127276898 442188081 /nfs/dbraw/zinc/18/80/81/442188081.db2.gz VHGZXFAWECIBHR-SNVBAGLBSA-N 0 0 332.364 1.229 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000176288239 442205339 /nfs/dbraw/zinc/20/53/39/442205339.db2.gz RIKHCGMAEOGZIU-HNNXBMFYSA-N 0 0 341.415 1.584 10 0 EDAERN O=C(NCCNC(=O)c1cccs1)N[C@H]1CCCC[C@H]1CO ZINC000175954264 442152774 /nfs/dbraw/zinc/15/27/74/442152774.db2.gz HTRQXTNHLGBLFT-RYUDHWBXSA-N 0 0 325.434 1.328 10 0 EDAERN CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000097021220 442156255 /nfs/dbraw/zinc/15/62/55/442156255.db2.gz QBOTZZOCJVOTAF-CQSZACIVSA-N 0 0 336.417 1.701 10 0 EDAERN O=C(c1cc(Br)c[nH]1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126994671 442160730 /nfs/dbraw/zinc/16/07/30/442160730.db2.gz ITOPQYAHJNILOS-SNVBAGLBSA-N 0 0 338.209 1.921 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1)CC2 ZINC000152447090 442213960 /nfs/dbraw/zinc/21/39/60/442213960.db2.gz VSKVQBDEQGIODM-JQWIXIFHSA-N 0 0 331.424 1.117 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccccc1Cl ZINC000176433567 442221330 /nfs/dbraw/zinc/22/13/30/442221330.db2.gz IXXXLMNJEFXRLS-CHWSQXEVSA-N 0 0 341.839 1.737 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1cccc(-n2ccnc2)c1 ZINC000176432969 442221460 /nfs/dbraw/zinc/22/14/60/442221460.db2.gz GWGSJVHYHMUUAO-WMLDXEAASA-N 0 0 343.431 1.563 10 0 EDAERN O=C(NCCOCc1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000176441558 442222386 /nfs/dbraw/zinc/22/23/86/442222386.db2.gz PUJFXZMRLJJMFC-QGZVFWFLSA-N 0 0 344.415 1.510 10 0 EDAERN COC(=O)c1nc(Cl)c(F)c(N)c1I ZINC000168641120 442224358 /nfs/dbraw/zinc/22/43/58/442224358.db2.gz WUCUJDCRYGSBBL-UHFFFAOYSA-N 0 0 330.484 1.848 10 0 EDAERN CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1Cl)C(=O)[O-] ZINC000169319101 442226391 /nfs/dbraw/zinc/22/63/91/442226391.db2.gz KYVSFWJABFCUSB-IHRRRGAJSA-N 0 0 342.823 1.186 10 0 EDAERN COCCn1nc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)c1C ZINC000152665903 442235487 /nfs/dbraw/zinc/23/54/87/442235487.db2.gz WANVADIGLLSXRY-NSHDSACASA-N 0 0 348.403 1.864 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccn(-c2c(F)cccc2F)n1 ZINC000176646149 442243458 /nfs/dbraw/zinc/24/34/58/442243458.db2.gz KWIXYGQLNIURGR-SNVBAGLBSA-N 0 0 344.325 1.487 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000170823143 442269243 /nfs/dbraw/zinc/26/92/43/442269243.db2.gz AOTQCGYDFNWMOU-PWSUYJOCSA-N 0 0 340.449 1.533 10 0 EDAERN COCCCNC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000176924782 442274475 /nfs/dbraw/zinc/27/44/75/442274475.db2.gz LQZJBHUYWHMJHA-CQSZACIVSA-N 0 0 341.477 1.799 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1F ZINC000176991639 442281575 /nfs/dbraw/zinc/28/15/75/442281575.db2.gz STXMSZYFQNESPN-CZUORRHYSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000176991922 442281731 /nfs/dbraw/zinc/28/17/31/442281731.db2.gz KTATWSVPPAOXDG-DOMZBBRYSA-N 0 0 344.864 1.681 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCc3cccnc3)C2)no1 ZINC000170889140 442283916 /nfs/dbraw/zinc/28/39/16/442283916.db2.gz UEUTVOHTDZTEDL-OAHLLOKOSA-N 0 0 329.404 1.980 10 0 EDAERN COc1ccc(CCNC(=O)NC[C@@H]2CN(C)CCO2)cc1F ZINC000170923852 442289528 /nfs/dbraw/zinc/28/95/28/442289528.db2.gz IHUZYXBSNDZKKE-CYBMUJFWSA-N 0 0 325.384 1.007 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2ccc(Cn3cccn3)cc2)C1 ZINC000170921248 442289538 /nfs/dbraw/zinc/28/95/38/442289538.db2.gz PEJHALQZQOBOIG-QGZVFWFLSA-N 0 0 343.431 1.061 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000171048010 442303657 /nfs/dbraw/zinc/30/36/57/442303657.db2.gz ZLIBZLBOUAFUGT-AAEUAGOBSA-N 0 0 349.435 1.988 10 0 EDAERN C[C@H](CNC(=O)Nc1ccc(-c2ncon2)cc1)N1CCOCC1 ZINC000171187044 442323883 /nfs/dbraw/zinc/32/38/83/442323883.db2.gz AASQOUMSAHYKFD-GFCCVEGCSA-N 0 0 331.376 1.579 10 0 EDAERN Cc1ccc(C)c(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177271824 442324033 /nfs/dbraw/zinc/32/40/33/442324033.db2.gz XLSFELGWZYAYAD-SJLPKXTDSA-N 0 0 331.460 1.894 10 0 EDAERN Cc1cccc2nc(CNC(=O)N[C@@H]3CCCn4ncnc43)cn21 ZINC000177350167 442331246 /nfs/dbraw/zinc/33/12/46/442331246.db2.gz ZQUMKPNVOPQOEA-CYBMUJFWSA-N 0 0 325.376 1.569 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1F ZINC000177390029 442335633 /nfs/dbraw/zinc/33/56/33/442335633.db2.gz NSIAWHWXWXIQLZ-CYBMUJFWSA-N 0 0 335.379 1.470 10 0 EDAERN CCCn1nccc1NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000177430374 442340495 /nfs/dbraw/zinc/34/04/95/442340495.db2.gz CXLLARPEUGOKJK-LLVKDONJSA-N 0 0 333.396 1.688 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)C12CCCCC2 ZINC000177498936 442350259 /nfs/dbraw/zinc/35/02/59/442350259.db2.gz KZIIUJQRGUVZRX-OWCLPIDISA-N 0 0 339.480 1.744 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000177520154 442352524 /nfs/dbraw/zinc/35/25/24/442352524.db2.gz INDMWGZNFIJCOT-CYBMUJFWSA-N 0 0 331.397 1.990 10 0 EDAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@@H]1Cn1ccnc1 ZINC000177786028 442383847 /nfs/dbraw/zinc/38/38/47/442383847.db2.gz BHWVYQSKSVXLHE-CQSZACIVSA-N 0 0 326.400 1.755 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000132275547 442390340 /nfs/dbraw/zinc/39/03/40/442390340.db2.gz FGQGZYVYOSBEEJ-DOMZBBRYSA-N 0 0 332.404 1.324 10 0 EDAERN CCC[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)OC(C)(C)C ZINC000155482078 442401295 /nfs/dbraw/zinc/40/12/95/442401295.db2.gz IDDNBOBVBHXNTD-CYBMUJFWSA-N 0 0 345.403 1.903 10 0 EDAERN CCc1noc(CC)c1CC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000155478540 442401342 /nfs/dbraw/zinc/40/13/42/442401342.db2.gz AJDDRNILZKOKGJ-CYBMUJFWSA-N 0 0 334.376 1.633 10 0 EDAERN CCn1cc(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)ccc1=O ZINC000178010561 442401569 /nfs/dbraw/zinc/40/15/69/442401569.db2.gz XDPQCNGOGQDYTO-NSHDSACASA-N 0 0 330.392 1.679 10 0 EDAERN C[C@H]1NC(C(=O)N2CCS[C@@H](C)C2)=NN(c2ccccc2)C1=O ZINC000171571760 442357959 /nfs/dbraw/zinc/35/79/59/442357959.db2.gz VOZKANDZZYDSJR-NWDGAFQWSA-N 0 0 332.429 1.289 10 0 EDAERN COCCN(C)S(=O)(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000177584145 442359992 /nfs/dbraw/zinc/35/99/92/442359992.db2.gz KATGMJSBUPKBRZ-UHFFFAOYSA-N 0 0 344.437 1.129 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc2c(c1)NC(=O)CS2 ZINC000177610956 442362597 /nfs/dbraw/zinc/36/25/97/442362597.db2.gz LSCFAQNAOIDRIJ-JTQLQIEISA-N 0 0 329.385 1.587 10 0 EDAERN O=C(COc1cccc(N2CCCC2=O)c1)NC[C@@H]1CCCC[C@@H]1O ZINC000155530983 442405712 /nfs/dbraw/zinc/40/57/12/442405712.db2.gz LJACADIFPYVGMM-YOEHRIQHSA-N 0 0 346.427 1.860 10 0 EDAERN O=C(NC[C@@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172113042 442410593 /nfs/dbraw/zinc/41/05/93/442410593.db2.gz OMPCQNGMTITUJA-IRXDYDNUSA-N 0 0 333.432 1.226 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)Nc3cnn(CC)c3)CC2)n1 ZINC000172125019 442411847 /nfs/dbraw/zinc/41/18/47/442411847.db2.gz PIIPMVPNDBNYGN-UHFFFAOYSA-N 0 0 345.407 1.446 10 0 EDAERN CC(C)(CNC(=O)CN1CCCC[C@H]1c1cn[nH]c1)N1CCOCC1 ZINC000172270373 442433450 /nfs/dbraw/zinc/43/34/50/442433450.db2.gz AXZJKESVYYZJKQ-INIZCTEOSA-N 0 0 349.479 1.164 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCc1ccc(OC)cc1Cl)C(C)C ZINC000178445693 442434828 /nfs/dbraw/zinc/43/48/28/442434828.db2.gz ZITUXHUEJBFPRA-CQSZACIVSA-N 0 0 341.839 1.961 10 0 EDAERN COC[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)CCO1 ZINC000172630818 442510300 /nfs/dbraw/zinc/51/03/00/442510300.db2.gz WQMQQHYYMLJJLM-WBVHZDCISA-N 0 0 348.443 1.623 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000178842666 442501123 /nfs/dbraw/zinc/50/11/23/442501123.db2.gz FMSXOOFLTUSTAR-CYBMUJFWSA-N 0 0 331.391 1.648 10 0 EDAERN CCc1c(C(=O)N[C@@H](C(=O)NC)C(C)C)cnn1-c1ccccc1 ZINC000178850942 442503045 /nfs/dbraw/zinc/50/30/45/442503045.db2.gz MNCCGOWEFRGSPA-MRXNPFEDSA-N 0 0 328.416 1.935 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccccc1S(=O)(=O)C(C)C)C(C)C ZINC000178862563 442507213 /nfs/dbraw/zinc/50/72/13/442507213.db2.gz YWQDMEQJIZCXMV-CQSZACIVSA-N 0 0 340.445 1.369 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@H](COC)C1 ZINC000172628759 442509016 /nfs/dbraw/zinc/50/90/16/442509016.db2.gz WSCRHNFMFVBKBK-XIRDDKMYSA-N 0 0 348.443 1.705 10 0 EDAERN CCN1CN(C[C@@H](O)COc2cccc(Br)c2)CC1=O ZINC000191582588 442469738 /nfs/dbraw/zinc/46/97/38/442469738.db2.gz YUERBTOONOIMQN-GFCCVEGCSA-N 0 0 343.221 1.310 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)n1 ZINC000134322246 442470606 /nfs/dbraw/zinc/47/06/06/442470606.db2.gz AXOXSNZBQMEUPE-YPMHNXCESA-N 0 0 344.419 1.426 10 0 EDAERN C[C@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1nnc2n1CCCC2 ZINC000179572623 442476655 /nfs/dbraw/zinc/47/66/55/442476655.db2.gz XVWZYRDNEIQKEZ-VIFPVBQESA-N 0 0 326.360 1.275 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000172542413 442485213 /nfs/dbraw/zinc/48/52/13/442485213.db2.gz LDEDZMJJHBSGOU-CQSZACIVSA-N 0 0 341.415 1.434 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000186437779 442534800 /nfs/dbraw/zinc/53/48/00/442534800.db2.gz BUEZQJBJIQVYGJ-CQSZACIVSA-N 0 0 338.423 1.946 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)COCC2CC2)CC1 ZINC000191904653 442537852 /nfs/dbraw/zinc/53/78/52/442537852.db2.gz XXRDZCVFRSIRQH-UHFFFAOYSA-N 0 0 340.464 1.678 10 0 EDAERN Cc1ccnc(-n2nccc2NC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000186498126 442545653 /nfs/dbraw/zinc/54/56/53/442545653.db2.gz FDOYSUSQJHRLKS-CQSZACIVSA-N 0 0 344.419 1.418 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(C)nn(C)c1C ZINC000157083098 442548721 /nfs/dbraw/zinc/54/87/21/442548721.db2.gz KLYRXSPPVNYMKC-NSHDSACASA-N 0 0 338.437 1.004 10 0 EDAERN CS(=O)(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172841429 442552900 /nfs/dbraw/zinc/55/29/00/442552900.db2.gz MUZCDBCAFZITCK-CABCVRRESA-N 0 0 328.478 1.697 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)CCC3CC3)C2=O)n(C)n1 ZINC000178878516 442512050 /nfs/dbraw/zinc/51/20/50/442512050.db2.gz TVVBCQXRNPGQLV-CQSZACIVSA-N 0 0 333.436 1.665 10 0 EDAERN COCCn1cc(NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000172641099 442512893 /nfs/dbraw/zinc/51/28/93/442512893.db2.gz CBNXVQYIKPCSBA-LBPRGKRZSA-N 0 0 347.423 1.381 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2ccc(Br)cc2O)C1 ZINC000134705492 442514512 /nfs/dbraw/zinc/51/45/12/442514512.db2.gz NYVYPGIECDAATP-LLVKDONJSA-N 0 0 343.221 1.605 10 0 EDAERN CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000134757264 442519252 /nfs/dbraw/zinc/51/92/52/442519252.db2.gz HQGDUUUUFWKRJD-CQSZACIVSA-N 0 0 338.429 1.221 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172747101 442531406 /nfs/dbraw/zinc/53/14/06/442531406.db2.gz LZAMWXTXKSPBGY-INIZCTEOSA-N 0 0 331.416 1.582 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000180047217 442532121 /nfs/dbraw/zinc/53/21/21/442532121.db2.gz AYSHGEVKJOYWJB-VIFPVBQESA-N 0 0 347.749 1.004 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc3c(s2)CCOC3)n1 ZINC000186605907 442571542 /nfs/dbraw/zinc/57/15/42/442571542.db2.gz YQCBHJZJOBRZBS-NSHDSACASA-N 0 0 335.385 1.726 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135271582 442573815 /nfs/dbraw/zinc/57/38/15/442573815.db2.gz RWQOHNFORBRZFC-WDEREUQCSA-N 0 0 331.376 1.203 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccccc2-n2cccn2)C1)C1CC1 ZINC000186626429 442576679 /nfs/dbraw/zinc/57/66/79/442576679.db2.gz PWRVJNYKUKIYNI-UHFFFAOYSA-N 0 0 339.399 1.292 10 0 EDAERN CCC[C@@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCO1 ZINC000179152595 442583809 /nfs/dbraw/zinc/58/38/09/442583809.db2.gz QDWOEQOACISVCD-UONOGXRCSA-N 0 0 332.400 1.144 10 0 EDAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCC([N@H+](C)CC(=O)[O-])CC2)[C@@H]1C ZINC000186677170 442588228 /nfs/dbraw/zinc/58/82/28/442588228.db2.gz BEGOUNDRWNUANL-FMKPAKJESA-N 0 0 339.480 1.408 10 0 EDAERN CCc1n[nH]c(=O)c(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1CC ZINC000135396300 442590814 /nfs/dbraw/zinc/59/08/14/442590814.db2.gz AHZBZWAOYYKAPC-ZDUSSCGKSA-N 0 0 343.431 1.877 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Oc1ccc2c(c1)NC(=O)CC2 ZINC000186696947 442594603 /nfs/dbraw/zinc/59/46/03/442594603.db2.gz WAHDHUSFJYAZST-INIZCTEOSA-N 0 0 332.400 1.978 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Cl)nc3C)CCO2)[nH]1 ZINC000157594320 442595679 /nfs/dbraw/zinc/59/56/79/442595679.db2.gz QHUXMDUQYGHIPW-NSHDSACASA-N 0 0 335.795 1.938 10 0 EDAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000192155023 442604649 /nfs/dbraw/zinc/60/46/49/442604649.db2.gz SENGVZJEQMTMHX-MRVPVSSYSA-N 0 0 347.198 1.924 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccccc1OC(F)(F)F ZINC000180211738 442559868 /nfs/dbraw/zinc/55/98/68/442559868.db2.gz FJXGZUVXHUDFDE-SECBINFHSA-N 0 0 326.278 1.922 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000180258096 442567640 /nfs/dbraw/zinc/56/76/40/442567640.db2.gz KHRAPIFJYWJHIQ-RDJZCZTQSA-N 0 0 345.443 1.421 10 0 EDAERN COc1ccc(C[C@@H](C)C(=O)NC[C@H]2CN(C)CCO2)cc1OC ZINC000180641911 442640171 /nfs/dbraw/zinc/64/01/71/442640171.db2.gz TWAHKMHHRSZYGQ-HIFRSBDPSA-N 0 0 336.432 1.329 10 0 EDAERN CC[C@@H](CO)N1CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000179418856 442645396 /nfs/dbraw/zinc/64/53/96/442645396.db2.gz LBJKAJARNLZNHK-DOTOQJQBSA-N 0 0 341.496 1.088 10 0 EDAERN CC1=C(C(=O)N2CCC[C@H](n3cncn3)C2)[C@H](C)n2ncnc2N1C ZINC000192210542 442612902 /nfs/dbraw/zinc/61/29/02/442612902.db2.gz YCDZSBCKYJMEFU-STQMWFEESA-N 0 0 342.407 1.018 10 0 EDAERN Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000180532573 442617804 /nfs/dbraw/zinc/61/78/04/442617804.db2.gz GDYYGAWWMBPQPP-QGZVFWFLSA-N 0 0 328.416 1.904 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCc3cnn(C)c3C)C2)n1 ZINC000179340354 442626390 /nfs/dbraw/zinc/62/63/90/442626390.db2.gz QTYQDCFUBMRSRJ-HNNXBMFYSA-N 0 0 345.451 1.559 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)(C)OC)ncn1 ZINC000173236242 442629766 /nfs/dbraw/zinc/62/97/66/442629766.db2.gz IJTMPBXKVJIYHJ-LBPRGKRZSA-N 0 0 336.440 1.211 10 0 EDAERN COC(=O)c1cncc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000180589737 442630130 /nfs/dbraw/zinc/63/01/30/442630130.db2.gz WAYMCNMPYRWXCG-CQSZACIVSA-N 0 0 329.360 1.761 10 0 EDAERN O=C(CCNC(=O)c1cccs1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135803199 442634453 /nfs/dbraw/zinc/63/44/53/442634453.db2.gz QSYZZGFNTLPOOZ-AWEZNQCLSA-N 0 0 345.424 1.943 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1n[nH]c2c1CCCC2 ZINC000192778311 442685674 /nfs/dbraw/zinc/68/56/74/442685674.db2.gz KLSTVOUCODMVQR-ZDUSSCGKSA-N 0 0 345.424 1.937 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3c[nH]c4cc(F)ccc34)CCO2)[nH]1 ZINC000181242579 442686424 /nfs/dbraw/zinc/68/64/24/442686424.db2.gz KGNXYWCIIXJAGY-AWEZNQCLSA-N 0 0 329.335 1.947 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1F ZINC000181328765 442690884 /nfs/dbraw/zinc/69/08/84/442690884.db2.gz KPKXTQKGEMWUNH-CYBMUJFWSA-N 0 0 328.409 1.229 10 0 EDAERN C[C@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@@H]1N1CCOCC1 ZINC000181417703 442696148 /nfs/dbraw/zinc/69/61/48/442696148.db2.gz PDLAXKMWNFBNJA-BBRMVZONSA-N 0 0 331.464 1.643 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2ncc(C)s2)CC1 ZINC000181927225 442722258 /nfs/dbraw/zinc/72/22/58/442722258.db2.gz VOKUFHKFKUYXGA-OLZOCXBDSA-N 0 0 326.466 1.611 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O ZINC000193362444 442736228 /nfs/dbraw/zinc/73/62/28/442736228.db2.gz YUEDLRZEXFNWCJ-APWZRJJASA-N 0 0 346.427 1.644 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000193366157 442736474 /nfs/dbraw/zinc/73/64/74/442736474.db2.gz SPLLYLBGMLRPBJ-SFHVURJKSA-N 0 0 349.475 1.420 10 0 EDAERN COC[C@H]1CN(Cc2cnc(N3CCOCC3)s2)C[C@H](C)O1 ZINC000188371808 442744140 /nfs/dbraw/zinc/74/41/40/442744140.db2.gz CMGHRTCLYZMDAX-QWHCGFSZSA-N 0 0 327.450 1.215 10 0 EDAERN CCn1c(C)nnc1CN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000193486476 442747516 /nfs/dbraw/zinc/74/75/16/442747516.db2.gz MAXQJCSQCXHSQC-OKILXGFUSA-N 0 0 335.452 1.905 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000188424137 442748507 /nfs/dbraw/zinc/74/85/07/442748507.db2.gz YPDBJGNPULUESL-MWLCHTKSSA-N 0 0 348.733 1.862 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCc2c(C)cc(C)cc2C)C1 ZINC000188442588 442750591 /nfs/dbraw/zinc/75/05/91/442750591.db2.gz HRLUFAHYDIAAFS-UHFFFAOYSA-N 0 0 333.432 1.311 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)[C@H](C)C2 ZINC000181695616 442710371 /nfs/dbraw/zinc/71/03/71/442710371.db2.gz FILQHWOKJBTXBU-MLGOLLRUSA-N 0 0 341.415 1.681 10 0 EDAERN Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)nnn1-c1ccc(C)cc1 ZINC000188101753 442711939 /nfs/dbraw/zinc/71/19/39/442711939.db2.gz OFUVNUDCNFEAMN-CYBMUJFWSA-N 0 0 327.388 1.235 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccoc2Br)CCN1C[C@@H](C)O ZINC000193802946 442789173 /nfs/dbraw/zinc/78/91/73/442789173.db2.gz QMGNGNBERKUISR-MNOVXSKESA-N 0 0 345.237 1.959 10 0 EDAERN COc1ccc(F)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1OC ZINC000188509570 442758262 /nfs/dbraw/zinc/75/82/62/442758262.db2.gz BIJQZVKFQMIIDC-GFCCVEGCSA-N 0 0 338.379 1.390 10 0 EDAERN O=C(COc1ccc(F)cc1Cl)N1CC(NC(=O)C2CCC2)C1 ZINC000188512530 442758534 /nfs/dbraw/zinc/75/85/34/442758534.db2.gz BEXWOTHNHPELQJ-UHFFFAOYSA-N 0 0 340.782 1.985 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)N[C@@H]3CCC[C@@H]3CCO)CC2)cn1 ZINC000188517486 442759371 /nfs/dbraw/zinc/75/93/71/442759371.db2.gz YMLMUXHYJWHYGD-IAGOWNOFSA-N 0 0 349.479 1.189 10 0 EDAERN COc1cccc(-c2cc(C(=O)N3CCCNC(=O)[C@H]3C)[nH]n2)c1 ZINC000188869224 442831669 /nfs/dbraw/zinc/83/16/69/442831669.db2.gz ODKNQXVOWFFZNG-LLVKDONJSA-N 0 0 328.372 1.436 10 0 EDAERN O=S(=O)(C[C@@H]1CCCCO1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188875372 442833236 /nfs/dbraw/zinc/83/32/36/442833236.db2.gz YORRSHIVHTVHLP-ILXRZTDVSA-N 0 0 345.486 1.655 10 0 EDAERN C[C@H]1CN(C(=O)NCC[C@@](C)(O)c2ccccc2)CCS1(=O)=O ZINC000188769356 442809165 /nfs/dbraw/zinc/80/91/65/442809165.db2.gz RQJZCQKONPUTTK-XJKSGUPXSA-N 0 0 340.445 1.113 10 0 EDAERN COc1ccccc1CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188775104 442809973 /nfs/dbraw/zinc/80/99/73/442809973.db2.gz ZVIGCMUDKUSTTM-UHFFFAOYSA-N 0 0 331.416 1.548 10 0 EDAERN COCCC[C@@H](C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000182721753 442813650 /nfs/dbraw/zinc/81/36/50/442813650.db2.gz OXRJPZHUUIGEPH-SJLPKXTDSA-N 0 0 334.460 1.927 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C[C@H]1C ZINC000246823502 442815631 /nfs/dbraw/zinc/81/56/31/442815631.db2.gz SQLSIMVDKXUJNW-ZOBORPQBSA-N 0 0 338.398 1.982 10 0 EDAERN Cc1c(C(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)cnn1C ZINC000246860954 442818165 /nfs/dbraw/zinc/81/81/65/442818165.db2.gz MABZVVPVNZOWOB-SWLSCSKDSA-N 0 0 348.472 1.982 10 0 EDAERN COCCC[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182791582 442826213 /nfs/dbraw/zinc/82/62/13/442826213.db2.gz METHLQJPPQONIK-JSGCOSHPSA-N 0 0 336.436 1.403 10 0 EDAERN O=C(NC1CN(C(=O)NC[C@@H]2CCOc3ccccc32)C1)C1CCC1 ZINC000188844703 442826467 /nfs/dbraw/zinc/82/64/67/442826467.db2.gz DAUNWITYIIWIDU-AWEZNQCLSA-N 0 0 343.427 1.863 10 0 EDAERN O=C(c1nc2cccnc2s1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000194014220 442829113 /nfs/dbraw/zinc/82/91/13/442829113.db2.gz QTWYCYNHDCXFFF-LLVKDONJSA-N 0 0 328.401 1.835 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CCN1C(=O)CCc2ccccc21 ZINC000188900810 442839097 /nfs/dbraw/zinc/83/90/97/442839097.db2.gz AFFQLGVOGVMEHD-ZDUSSCGKSA-N 0 0 329.400 1.093 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000188933270 442844377 /nfs/dbraw/zinc/84/43/77/442844377.db2.gz KSCDBJUDCUMWPO-BBRMVZONSA-N 0 0 334.416 1.585 10 0 EDAERN O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000182915599 442847346 /nfs/dbraw/zinc/84/73/46/442847346.db2.gz DLHPPPCFMSYAMR-UHFFFAOYSA-N 0 0 335.385 1.707 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000189229672 442901452 /nfs/dbraw/zinc/90/14/52/442901452.db2.gz QTUJCHRSFBKQTB-VBZUEUGKSA-N 0 0 334.391 1.547 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cn(Cc2cccnc2)nn1 ZINC000183101912 442879994 /nfs/dbraw/zinc/87/99/94/442879994.db2.gz GFMUTQJXTDPGDP-ZDUSSCGKSA-N 0 0 331.420 1.883 10 0 EDAERN COc1ccccc1-c1nn(C)cc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000189231373 442901396 /nfs/dbraw/zinc/90/13/96/442901396.db2.gz DSVSMZDONHNRBX-LBPRGKRZSA-N 0 0 342.399 1.446 10 0 EDAERN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000189237266 442902647 /nfs/dbraw/zinc/90/26/47/442902647.db2.gz QBGVXGSLBBXHMZ-GDBMZVCRSA-N 0 0 345.443 1.251 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C12CCOCC2 ZINC000248586452 442904059 /nfs/dbraw/zinc/90/40/59/442904059.db2.gz VZYMKRLTUFKWCJ-VBNZEHGJSA-N 0 0 333.432 1.920 10 0 EDAERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCNC(=O)[C@H]1C ZINC000189264340 442908211 /nfs/dbraw/zinc/90/82/11/442908211.db2.gz XSVMHFAWLXWPJX-NWDGAFQWSA-N 0 0 339.386 1.695 10 0 EDAERN COc1ccc([C@@H](NC[C@@H](O)CN2CCCC2=O)C(F)(F)F)cc1 ZINC000183413425 442929015 /nfs/dbraw/zinc/92/90/15/442929015.db2.gz JWNFRZWBCBNSID-IUODEOHRSA-N 0 0 346.349 1.872 10 0 EDAERN CCCOc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1OCC ZINC000194636902 442929254 /nfs/dbraw/zinc/92/92/54/442929254.db2.gz RFAFHVFSPIHMIR-OAHLLOKOSA-N 0 0 336.432 1.935 10 0 EDAERN CCOCCN1CCN([C@@H]2CCc3ccccc3NC2=O)C[C@H]1C ZINC000248908894 442937124 /nfs/dbraw/zinc/93/71/24/442937124.db2.gz XMFDNSSZMSLPRJ-CRAIPNDOSA-N 0 0 331.460 1.983 10 0 EDAERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189417983 442947146 /nfs/dbraw/zinc/94/71/46/442947146.db2.gz XCRAUSHSODNVIN-CQSZACIVSA-N 0 0 349.456 1.240 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N2CCC(C)(CO)CC2)[C@H]1c1ccc(F)cc1 ZINC000183722950 442955990 /nfs/dbraw/zinc/95/59/90/442955990.db2.gz JFDRIZTYKQUBEF-NVXWUHKLSA-N 0 0 348.418 1.966 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000184167161 442998556 /nfs/dbraw/zinc/99/85/56/442998556.db2.gz DITHWWHNFBVUPC-SFHVURJKSA-N 0 0 347.459 1.542 10 0 EDAERN O=C(Nc1ccc(N2CCOCC2)cn1)N[C@@H]1CCCC[C@@H]1CO ZINC000194924413 442969669 /nfs/dbraw/zinc/96/96/69/442969669.db2.gz NAYTXTMIPPWHTO-UKRRQHHQSA-N 0 0 334.420 1.591 10 0 EDAERN Cn1c(CN2C(=O)N[C@](C)(c3ccccc3)C2=O)nnc1C1CC1 ZINC000194642429 318592314 /nfs/dbraw/zinc/59/23/14/318592314.db2.gz PDAMVMMPRLUKDL-QGZVFWFLSA-N 0 0 325.372 1.660 10 0 EDAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000195016489 442976210 /nfs/dbraw/zinc/97/62/10/442976210.db2.gz BQYDREPWYCMVIG-AWEZNQCLSA-N 0 0 332.381 1.458 10 0 EDAERN CCOC(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCN(CC)C1 ZINC000195129255 442986327 /nfs/dbraw/zinc/98/63/27/442986327.db2.gz PNPCVKCXSGPZJN-CYBMUJFWSA-N 0 0 340.445 1.626 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@@H](O)C2(C)C)[C@@H]1c1ccccc1 ZINC000250111481 443010046 /nfs/dbraw/zinc/01/00/46/443010046.db2.gz SXPDAYQPSLEZCJ-HWMZRRJGSA-N 0 0 330.428 1.872 10 0 EDAERN CC[C@@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000251696456 443015993 /nfs/dbraw/zinc/01/59/93/443015993.db2.gz IRDZHMGWDAOGJF-RISCZKNCSA-N 0 0 346.383 1.987 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000189918822 443029413 /nfs/dbraw/zinc/02/94/13/443029413.db2.gz LGCPWZBBWWEVJY-VHDGCEQUSA-N 0 0 336.363 1.137 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCCOc1ncccc1Cl ZINC000184499336 443030065 /nfs/dbraw/zinc/03/00/65/443030065.db2.gz PNGQRMOPEGXSOL-AWEZNQCLSA-N 0 0 341.839 1.731 10 0 EDAERN COCc1cccc(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000189935162 443033434 /nfs/dbraw/zinc/03/34/34/443033434.db2.gz WESZZKHREFFRHU-YJBOKZPZSA-N 0 0 332.444 1.555 10 0 EDAERN CCO[C@@H]1C[C@H](n2c(=O)[nH]c3ccccc3c2=O)C12CCOCC2 ZINC000184582985 443045082 /nfs/dbraw/zinc/04/50/82/443045082.db2.gz ZNEMRMQKTNAKOM-LSDHHAIUSA-N 0 0 330.384 1.837 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(OC)c(F)c2)CC1 ZINC000184866774 443088642 /nfs/dbraw/zinc/08/86/42/443088642.db2.gz BYWMCGONMXOABQ-CQSZACIVSA-N 0 0 339.411 1.432 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2COc3ccccc3C2)CC1 ZINC000184875538 443090399 /nfs/dbraw/zinc/09/03/99/443090399.db2.gz UTNCFDUCGXWFEW-HZPDHXFCSA-N 0 0 333.432 1.088 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000184635263 443052518 /nfs/dbraw/zinc/05/25/18/443052518.db2.gz ZVFIKXCCRCDMEL-ZDUSSCGKSA-N 0 0 328.376 1.224 10 0 EDAERN O=c1oc2cccnc2n1CCN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000253394670 443053307 /nfs/dbraw/zinc/05/33/07/443053307.db2.gz IRMLLDCKLHPDQN-LSDHHAIUSA-N 0 0 343.358 1.937 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184681093 443058611 /nfs/dbraw/zinc/05/86/11/443058611.db2.gz JPMGDHBHJYFHGO-OAHLLOKOSA-N 0 0 339.399 1.564 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCCOc2ccccc2)CC1 ZINC000184759668 443072419 /nfs/dbraw/zinc/07/24/19/443072419.db2.gz TWIWNLSCOFAKPP-INIZCTEOSA-N 0 0 335.448 1.554 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1 ZINC000184771597 443074293 /nfs/dbraw/zinc/07/42/93/443074293.db2.gz DCIGGKUTUDNRKN-WBVHZDCISA-N 0 0 349.475 1.811 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCOCC(F)F)CC2 ZINC000190237558 443074957 /nfs/dbraw/zinc/07/49/57/443074957.db2.gz PIVXHZQKBFXBJH-JTQLQIEISA-N 0 0 331.367 1.297 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)s1 ZINC000190566266 443138767 /nfs/dbraw/zinc/13/87/67/443138767.db2.gz MNGMZXSNWWUPMC-LLVKDONJSA-N 0 0 348.432 1.489 10 0 EDAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185138285 443145658 /nfs/dbraw/zinc/14/56/58/443145658.db2.gz OICBGZUIEADVDY-KGLIPLIRSA-N 0 0 347.242 1.379 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cc3cc(-c4cnn(C)c4)no3)CCO2)c1 ZINC000184999782 443115898 /nfs/dbraw/zinc/11/58/98/443115898.db2.gz QAADNKIDPMZQFS-INIZCTEOSA-N 0 0 342.403 1.481 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3nc(C)cs3)CCO2)cn1 ZINC000190509894 443122834 /nfs/dbraw/zinc/12/28/34/443122834.db2.gz WWLZKICIVGDAQA-LBPRGKRZSA-N 0 0 349.416 1.207 10 0 EDAERN Cc1noc([C@H]2COCCN2Cc2cc(=O)oc3cc(O)ccc23)n1 ZINC000185069800 443130185 /nfs/dbraw/zinc/13/01/85/443130185.db2.gz VBFHBUSXSBASJT-CQSZACIVSA-N 0 0 343.339 1.764 10 0 EDAERN Cc1noc([C@@H]2COCCN2CCC(=O)Nc2cc(N)ccc2F)n1 ZINC000185075852 443130677 /nfs/dbraw/zinc/13/06/77/443130677.db2.gz DRPLBHQFGUJFFE-AWEZNQCLSA-N 0 0 349.366 1.501 10 0 EDAERN NC(=O)c1nc(I)ccc1OC(F)(F)F ZINC000238651667 443196601 /nfs/dbraw/zinc/19/66/01/443196601.db2.gz KDUVRKCKBQMJHU-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190745841 443175613 /nfs/dbraw/zinc/17/56/13/443175613.db2.gz XTXHHXIZZMNWBG-CYBMUJFWSA-N 0 0 343.387 1.225 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)N(CC(C)C)C3CC3)CCO2)cn1 ZINC000190750227 443176102 /nfs/dbraw/zinc/17/61/02/443176102.db2.gz ZAPHGUIVVIIMKZ-KRWDZBQOSA-N 0 0 334.464 1.923 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCCc2ccc(Cl)cc2)C1 ZINC000185317929 443181944 /nfs/dbraw/zinc/18/19/44/443181944.db2.gz UYNVEMNBXBZYPR-UHFFFAOYSA-N 0 0 339.823 1.429 10 0 EDAERN CCOC(=O)c1csc(CCNC(=O)[C@@H]2CCCO[C@H]2C)n1 ZINC000190843080 443194887 /nfs/dbraw/zinc/19/48/87/443194887.db2.gz IZRBTJJGGNQYGF-WDEREUQCSA-N 0 0 326.418 1.794 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000190667556 443160164 /nfs/dbraw/zinc/16/01/64/443160164.db2.gz RNYLGQOVOWUIBF-SSDOTTSWSA-N 0 0 345.733 1.294 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000190992597 443221225 /nfs/dbraw/zinc/22/12/25/443221225.db2.gz RFQKIGJWYUUORN-SECBINFHSA-N 0 0 347.234 1.348 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)[C@@H](CO)CC(C)C ZINC000185667544 443235272 /nfs/dbraw/zinc/23/52/72/443235272.db2.gz XOCXQFIXLOATLA-OLZOCXBDSA-N 0 0 339.440 1.308 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCC(C)(C)CCO)C12CCOCC2 ZINC000185702940 443241576 /nfs/dbraw/zinc/24/15/76/443241576.db2.gz SAJVUMGGQBUZNW-ZIAGYGMSSA-N 0 0 328.453 1.668 10 0 EDAERN Cc1cnn([C@H]2CCCN(Cc3nnnn3CC(F)(F)F)C2)c1 ZINC000190869085 443199901 /nfs/dbraw/zinc/19/99/01/443199901.db2.gz YOWNLTQQQNXOFO-NSHDSACASA-N 0 0 329.330 1.577 10 0 EDAERN O[C@@H](Cn1cnc2c1ncnc2N1CCOCC1)C1CCCCC1 ZINC000191345666 443281860 /nfs/dbraw/zinc/28/18/60/443281860.db2.gz LHZNCQNYQYQTQI-AWEZNQCLSA-N 0 0 331.420 1.604 10 0 EDAERN COCCN1CCN(C(=O)NCC2(OC)CCCCC2)C[C@@H]1C ZINC000185924259 443284257 /nfs/dbraw/zinc/28/42/57/443284257.db2.gz AKYHUYBARJGANK-HNNXBMFYSA-N 0 0 327.469 1.698 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N2CCOC(C)(C)C2)C12CCOCC2 ZINC000185983203 443293761 /nfs/dbraw/zinc/29/37/61/443293761.db2.gz DUKGYYWBPSQBRZ-KGLIPLIRSA-N 0 0 326.437 1.781 10 0 EDAERN CCOC(=O)N1CC[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000186049260 443303750 /nfs/dbraw/zinc/30/37/50/443303750.db2.gz HZHPCJTYVXFOMU-CYBMUJFWSA-N 0 0 335.408 1.530 10 0 EDAERN CN1CCO[C@@H](CN(CC(N)=O)C(=O)c2cccc(Cl)c2)C1 ZINC000328647549 444413226 /nfs/dbraw/zinc/41/32/26/444413226.db2.gz UAUDPYICRJRNRV-CYBMUJFWSA-N 0 0 325.796 1.648 10 0 EDAERN CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1cnn(C)c1 ZINC000328616982 444395679 /nfs/dbraw/zinc/39/56/79/444395679.db2.gz CFKQTKJWKIEJLM-SNVBAGLBSA-N 0 0 341.337 1.970 10 0 EDAERN Cc1nnc([C@@H]2COCCN2C(=O)Nc2cc(C(C)(C)C)on2)o1 ZINC000328623091 444398504 /nfs/dbraw/zinc/39/85/04/444398504.db2.gz IVRHLJUCOVYOAB-JTQLQIEISA-N 0 0 335.364 2.269 10 0 EDAERN COc1ncc(Cl)c(N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000370810738 446454830 /nfs/dbraw/zinc/45/48/30/446454830.db2.gz QJNQMNALEPWTIZ-CQSZACIVSA-N 0 0 339.783 1.048 10 0 EDAERN CN(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)cn1 ZINC000575603625 447865984 /nfs/dbraw/zinc/86/59/84/447865984.db2.gz LLITXOGOANRKGD-ZIAGYGMSSA-N 0 0 337.445 1.337 10 0 EDAERN COc1cc(Br)cc(S(N)(=O)=O)c1OC(F)F ZINC000575683416 447879828 /nfs/dbraw/zinc/87/98/28/447879828.db2.gz NINIPEJOENIIPW-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN COc1cc(OC(F)F)cc(Br)c1S(N)(=O)=O ZINC000575685568 447880117 /nfs/dbraw/zinc/88/01/17/447880117.db2.gz WKWCVYQTQYOMGX-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN CCOC(=O)Cc1ccc(I)c(N)c1OC ZINC000575724358 447882961 /nfs/dbraw/zinc/88/29/61/447882961.db2.gz CPDVQLGUUXDLPT-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)/C=C\c3ccncn3)CC2)n1 ZINC000492469024 448219474 /nfs/dbraw/zinc/21/94/74/448219474.db2.gz FPIFHZKCEYWFOY-DSYXLKISSA-N 0 0 342.403 1.341 10 0 EDAERN O=C(COc1ccc2c(c1)CCC2)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583620396 448450068 /nfs/dbraw/zinc/45/00/68/448450068.db2.gz FIPLIDGAIPSLEI-OTWHNJEPSA-N 0 0 345.439 1.943 10 0 EDAERN CN1C(=O)C[C@@H](NCc2nnc3n2CCCCC3)[C@@H]1c1cccnc1 ZINC000583620138 448450420 /nfs/dbraw/zinc/45/04/20/448450420.db2.gz DZYWTPQNGMBCID-KDOFPFPSSA-N 0 0 340.431 1.461 10 0 EDAERN CN1C(=O)C[C@@H](NCc2nnc(-c3ccco3)o2)[C@@H]1c1cccnc1 ZINC000583620176 448450839 /nfs/dbraw/zinc/45/08/39/448450839.db2.gz OJIOHKNHUNUCJK-WBMJQRKESA-N 0 0 339.355 1.786 10 0 EDAERN CN1C(=O)C[C@@H](NCc2nnnn2-c2ccccc2)[C@@H]1c1cccnc1 ZINC000583620190 448450882 /nfs/dbraw/zinc/45/08/82/448450882.db2.gz SKXVFRMRZBDLSV-QAPCUYQASA-N 0 0 349.398 1.119 10 0 EDAERN COCc1ccccc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583621027 448451713 /nfs/dbraw/zinc/45/17/13/448451713.db2.gz MHMDNOHJGGLWBI-AEFFLSMTSA-N 0 0 339.395 1.930 10 0 EDAERN COC(=O)[C@H](c1ccc(OC)cc1)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC000584644988 448588730 /nfs/dbraw/zinc/58/87/30/448588730.db2.gz OOBNNWVIFYXMMW-HNNXBMFYSA-N 0 0 330.340 1.782 10 0 EDAERN COC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000584659278 448590749 /nfs/dbraw/zinc/59/07/49/448590749.db2.gz KSACHAURUHSUKB-UHFFFAOYSA-N 0 0 346.202 1.553 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)c(C)n1-c1cnccn1 ZINC000529266833 448802634 /nfs/dbraw/zinc/80/26/34/448802634.db2.gz CWPLTUAWDKCGAJ-SMDDNHRTSA-N 0 0 327.388 1.281 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2ccncc2F)[C@@H]1c1cnn(C)c1 ZINC000618144978 450026162 /nfs/dbraw/zinc/02/61/62/450026162.db2.gz XEPHZZHWFHVAMQ-HOTGVXAUSA-N 0 0 347.394 1.146 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](Nc2ccccn2)CC1 ZINC000616665156 450458896 /nfs/dbraw/zinc/45/88/96/450458896.db2.gz OZWVNECHUMBPAX-MRXNPFEDSA-N 0 0 333.413 1.931 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1cc(Br)ccc1F ZINC000633927639 451109852 /nfs/dbraw/zinc/10/98/52/451109852.db2.gz HFTURGTWOGQQBI-LLVKDONJSA-N 0 0 345.212 1.991 10 0 EDAERN O=C(COc1cccc(Br)c1)N[C@H]1CCOC[C@@H]1O ZINC000629217647 451599665 /nfs/dbraw/zinc/59/96/65/451599665.db2.gz DVLLAHWTVOYGDL-RYUDHWBXSA-N 0 0 330.178 1.094 10 0 EDAERN CN(C)c1n[nH]c(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000637787427 452079317 /nfs/dbraw/zinc/07/93/17/452079317.db2.gz MEYXFWRIRRALAR-YNEHKIRRSA-N 0 0 336.440 1.096 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCc2c(F)ccc(F)c2C1 ZINC000644387674 453389575 /nfs/dbraw/zinc/38/95/75/453389575.db2.gz UAPFBAVURJBGEO-HNNXBMFYSA-N 0 0 338.354 1.223 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)NCCc2ccco2)[C@H]1c1cnn(C)c1C ZINC000665393950 453679651 /nfs/dbraw/zinc/67/96/51/453679651.db2.gz AUPPPYWIBBSXHK-YOEHRIQHSA-N 0 0 344.415 1.590 10 0 EDAERN C[C@@H](C(=O)N[C@H]1CCOC2(CCC2)C1)N1C(=O)c2ccccc2C1=O ZINC000676229785 486695981 /nfs/dbraw/zinc/69/59/81/486695981.db2.gz YNAABBLXDCOBBZ-STQMWFEESA-N 0 0 342.395 1.889 10 0 EDAERN CO[C@@H]1CN(Cc2cn(-c3ccccc3C)nn2)C[C@H]1c1c[nH]nn1 ZINC000668576853 485913307 /nfs/dbraw/zinc/91/33/07/485913307.db2.gz DTGRNBOYLCGQRX-WMLDXEAASA-N 0 0 339.403 1.308 10 0 EDAERN CC[C@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1N1CCOCC1 ZINC000669319124 485964870 /nfs/dbraw/zinc/96/48/70/485964870.db2.gz JHLCKZFSFJWWMK-JSGCOSHPSA-N 0 0 329.404 1.092 10 0 EDAERN CC(C)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000083643863 486222763 /nfs/dbraw/zinc/22/27/63/486222763.db2.gz XEJDYCUVXHNBIA-HZPDHXFCSA-N 0 0 327.469 1.554 10 0 EDAERN CCOc1cc(Br)ccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000129274524 490994940 /nfs/dbraw/zinc/99/49/40/490994940.db2.gz BZALAJZKUQTVRS-MRVPVSSYSA-N 0 0 327.178 1.922 10 0 EDAERN CCOc1cc(Br)ccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000129274746 490994942 /nfs/dbraw/zinc/99/49/42/490994942.db2.gz BZALAJZKUQTVRS-QMMMGPOBSA-N 0 0 327.178 1.922 10 0 EDAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1cccc(F)c1 ZINC000187315715 533914437 /nfs/dbraw/zinc/91/44/37/533914437.db2.gz CSHOPUSVYUALRG-NSHDSACASA-N 0 0 335.379 1.513 10 0 EDAERN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000187615795 533925379 /nfs/dbraw/zinc/92/53/79/533925379.db2.gz OPLOLOINRNVUKY-RISCZKNCSA-N 0 0 346.349 1.920 10 0 EDAERN COc1ccc(F)cc1CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000186081950 533928147 /nfs/dbraw/zinc/92/81/47/533928147.db2.gz KLORGLCHRVOXML-HNNXBMFYSA-N 0 0 344.390 1.952 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000183750995 533963304 /nfs/dbraw/zinc/96/33/04/533963304.db2.gz DBDYQBZCKXVLEW-ZDUSSCGKSA-N 0 0 329.356 1.002 10 0 EDAERN C[C@@H]1NC(=O)C(C)(C)N(Cc2cncc(Br)c2)C1=O ZINC000168879251 534091855 /nfs/dbraw/zinc/09/18/55/534091855.db2.gz CEYIBZDIBVRJBY-QMMMGPOBSA-N 0 0 326.194 1.470 10 0 EDAERN COC(=O)N[C@H]1CCN(c2ncc(N)c(C)c2Br)C1 ZINC000165613575 534180328 /nfs/dbraw/zinc/18/03/28/534180328.db2.gz KRRQAEQAOZFOLJ-QMMMGPOBSA-N 0 0 329.198 1.669 10 0 EDAERN COC(=O)c1ccc(F)cc1S(=O)(=O)NCCn1cc(C)cn1 ZINC000178547116 534181704 /nfs/dbraw/zinc/18/17/04/534181704.db2.gz DJLQDAWSDIWSCT-UHFFFAOYSA-N 0 0 341.364 1.096 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000168843394 534229912 /nfs/dbraw/zinc/22/99/12/534229912.db2.gz BEHLEAPBVQJKRG-GWNMQOMSSA-N 0 0 346.861 1.934 10 0 EDAERN C[C@@H](Cn1nnnc1-c1ccc(Br)c(N)c1)[S@](C)=O ZINC000166196818 534275833 /nfs/dbraw/zinc/27/58/33/534275833.db2.gz YWKVWJYMKXNXDD-ZDVLTJLQSA-N 0 0 344.238 1.452 10 0 EDAERN NC(=O)CN(C(=O)c1cccc(N)c1Br)C1CCCC1 ZINC000158929117 534321530 /nfs/dbraw/zinc/32/15/30/534321530.db2.gz AARCMEGKQIBNJK-UHFFFAOYSA-N 0 0 340.221 1.901 10 0 EDAERN COC(=O)c1ncn(-c2ccc([C@H](C)O)cc2Br)n1 ZINC000167434706 534360136 /nfs/dbraw/zinc/36/01/36/534360136.db2.gz OYIOYTRNHGHJQW-ZETCQYMHSA-N 0 0 326.150 1.870 10 0 EDAERN COC(=O)c1sccc1NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171701578 534411795 /nfs/dbraw/zinc/41/17/95/534411795.db2.gz ALLHXNBNCXBPCR-LLVKDONJSA-N 0 0 349.416 1.402 10 0 EDAERN Cc1nsc(N2CCCN(Cc3nnc(C(C)C)n3C)CC2)n1 ZINC000174163087 534503668 /nfs/dbraw/zinc/50/36/68/534503668.db2.gz UWIGEXYCCQKKFT-UHFFFAOYSA-N 0 0 335.481 1.811 10 0 EDAERN O=C(COc1ccc(F)cc1Br)N1CCOC[C@H]1CO ZINC000168487487 534621779 /nfs/dbraw/zinc/62/17/79/534621779.db2.gz RHMIBUQQCPHURU-SNVBAGLBSA-N 0 0 348.168 1.187 10 0 EDAERN O=C(c1ccc(-n2ccnc2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171882994 534685381 /nfs/dbraw/zinc/68/53/81/534685381.db2.gz PBNCDYNLZDQLOO-QGZVFWFLSA-N 0 0 337.383 1.610 10 0 EDAERN O=C(Nc1cc(Cl)ccc1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177630702 534819962 /nfs/dbraw/zinc/81/99/62/534819962.db2.gz LOCGWZLBAOVUIL-SECBINFHSA-N 0 0 337.742 1.140 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1c1nc(-c2ccc(Br)o2)no1 ZINC000190359364 534826315 /nfs/dbraw/zinc/82/63/15/534826315.db2.gz NKOXXKQIJMVOGR-HTQZYQBOSA-N 0 0 342.149 1.746 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@@H](C)N2CCc3sccc3C2)C1 ZINC000189839833 526708393 /nfs/dbraw/zinc/70/83/93/526708393.db2.gz RLBRPYVDFXIHKO-LLVKDONJSA-N 0 0 336.461 1.025 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000189826045 526711545 /nfs/dbraw/zinc/71/15/45/526711545.db2.gz VYSSICDDISBMOC-SECBINFHSA-N 0 0 327.331 1.879 10 0 EDAERN CC1(C)C[C@H](NC(=O)NCCS(C)(=O)=O)c2ccccc2O1 ZINC000177947490 527735474 /nfs/dbraw/zinc/73/54/74/527735474.db2.gz UYGMNNWBABAPOV-LBPRGKRZSA-N 0 0 326.418 1.633 10 0 EDAERN CCN1CCO[C@H](Cn2c(N)nc3cc(Br)cnc32)C1 ZINC000166153729 527738900 /nfs/dbraw/zinc/73/89/00/527738900.db2.gz ZSNNEVWWCKXMEF-JTQLQIEISA-N 0 0 340.225 1.497 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C12CCOCC2 ZINC000187121874 527827946 /nfs/dbraw/zinc/82/79/46/527827946.db2.gz UNGKTXUYYJAQGM-HUUCEWRRSA-N 0 0 345.399 1.560 10 0 EDAERN CC(C)OCCCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000184046002 527918035 /nfs/dbraw/zinc/91/80/35/527918035.db2.gz XACUVRVCKKMEBE-GFCCVEGCSA-N 0 0 328.434 1.716 10 0 EDAERN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000179498823 528065798 /nfs/dbraw/zinc/06/57/98/528065798.db2.gz CYEOWHFEWTYKOF-DOMZBBRYSA-N 0 0 339.461 1.829 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)Nc2cccn(C)c2=O)C12CCOCC2 ZINC000184396632 528137528 /nfs/dbraw/zinc/13/75/28/528137528.db2.gz UAAUQGNWEIMXNQ-KBPBESRZSA-N 0 0 335.404 1.481 10 0 EDAERN CC(C)Oc1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cn1 ZINC000177334671 528158505 /nfs/dbraw/zinc/15/85/05/528158505.db2.gz PFWXWWQDMPAEQL-CYBMUJFWSA-N 0 0 330.392 1.795 10 0 EDAERN CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(Br)cc1N ZINC000165763315 528196470 /nfs/dbraw/zinc/19/64/70/528196470.db2.gz XVGUHBNYBWRODL-SSDOTTSWSA-N 0 0 335.223 1.330 10 0 EDAERN CCOc1cc(C(=O)N[C@H]2CCc3ncnn3C2)cc(Cl)c1O ZINC000186808512 528235947 /nfs/dbraw/zinc/23/59/47/528235947.db2.gz CZLHPJOPZWSYHB-JTQLQIEISA-N 0 0 336.779 1.781 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000153359642 528240679 /nfs/dbraw/zinc/24/06/79/528240679.db2.gz LBHQLJHCDOYDPT-HZPDHXFCSA-N 0 0 333.432 1.787 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000184239455 528476268 /nfs/dbraw/zinc/47/62/68/528476268.db2.gz LXMZGWIWPDOKPG-OAHLLOKOSA-N 0 0 336.432 1.821 10 0 EDAERN CC(C)c1nnnn1CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174999222 528486826 /nfs/dbraw/zinc/48/68/26/528486826.db2.gz WECOJMRNYBIIKQ-UHFFFAOYSA-N 0 0 345.407 1.643 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)n(C)n1 ZINC000190143628 528602796 /nfs/dbraw/zinc/60/27/96/528602796.db2.gz KXTGNXCAZKRSCC-CQSZACIVSA-N 0 0 344.419 1.788 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000176562604 528702603 /nfs/dbraw/zinc/70/26/03/528702603.db2.gz GMFPWHVPMIHGRN-QVQLBTGDSA-N 0 0 339.465 1.292 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000176568659 528703654 /nfs/dbraw/zinc/70/36/54/528703654.db2.gz DHUXOXULMPMGHE-WNDFPBNNSA-N 0 0 327.454 1.007 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CCC(=O)N1CCc2ccccc21 ZINC000176565535 528703975 /nfs/dbraw/zinc/70/39/75/528703975.db2.gz BGPKYPXIAAFJFG-DEOSSOPVSA-N 0 0 347.444 1.482 10 0 EDAERN CC(C)Cn1ncc(NCC[S@](C)=O)c(Br)c1=O ZINC000158649718 528752972 /nfs/dbraw/zinc/75/29/72/528752972.db2.gz BUOUELNKHZLYRM-GOSISDBHSA-N 0 0 336.255 1.452 10 0 EDAERN CC(C)[C@@H]1NC(=O)[C@@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168873752 528814808 /nfs/dbraw/zinc/81/48/08/528814808.db2.gz XHCLUVIXSGPDKW-SKDRFNHKSA-N 0 0 340.221 1.716 10 0 EDAERN CC1(C)CN(c2ncc(Br)cc2CO)C[C@H](CO)O1 ZINC000163730136 529129360 /nfs/dbraw/zinc/12/93/60/529129360.db2.gz AUCVGUVTGQZNAX-LLVKDONJSA-N 0 0 331.210 1.313 10 0 EDAERN CCSCC[C@@H](C)NS(=O)(=O)c1cnc(NN)c(Cl)c1 ZINC000160348562 529188900 /nfs/dbraw/zinc/18/89/00/529188900.db2.gz GKUIIJLJPORIST-MRVPVSSYSA-N 0 0 338.886 1.831 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000171652345 529226597 /nfs/dbraw/zinc/22/65/97/529226597.db2.gz DGKOWPMZBUYDOO-CQSZACIVSA-N 0 0 330.432 1.411 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)c2nc(C)cs2)CC1 ZINC000186813488 529226791 /nfs/dbraw/zinc/22/67/91/529226791.db2.gz LAWKLMBJHMKWPE-GXTWGEPZSA-N 0 0 340.493 1.653 10 0 EDAERN CC[C@@H](O)CN1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187686927 529229519 /nfs/dbraw/zinc/22/95/19/529229519.db2.gz ZBRDABVZIAUHPB-GDBMZVCRSA-N 0 0 340.489 1.540 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc3n[nH]nc3c1)CC2 ZINC000195289742 535030161 /nfs/dbraw/zinc/03/01/61/535030161.db2.gz QRWLMYARDBQSQW-LLVKDONJSA-N 0 0 325.376 1.418 10 0 EDAERN CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000092350410 535497155 /nfs/dbraw/zinc/49/71/55/535497155.db2.gz IEHXWCBZWUTRLO-MARXPDLDSA-N 0 0 344.458 1.001 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C[C@@H]1C ZINC000247155021 535599462 /nfs/dbraw/zinc/59/94/62/535599462.db2.gz QCGWNPQMCQIUGJ-JYJNAYRXSA-N 0 0 328.453 1.140 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C)cc2F)C[C@H]1C ZINC000247182731 535606343 /nfs/dbraw/zinc/60/63/43/535606343.db2.gz RWWRUSMBLVUAGT-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN CCOCCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246797763 535618792 /nfs/dbraw/zinc/61/87/92/535618792.db2.gz JRQORGIONNWYHP-KBPBESRZSA-N 0 0 341.477 1.846 10 0 EDAERN CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000236817011 535650935 /nfs/dbraw/zinc/65/09/35/535650935.db2.gz LJRDPCAEDSUOEG-JTQLQIEISA-N 0 0 334.463 1.384 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000132173374 535939041 /nfs/dbraw/zinc/93/90/41/535939041.db2.gz ICSBIMFVUJSXOO-ZDUSSCGKSA-N 0 0 345.403 1.853 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)CN1CCCC[C@H]1c1cn[nH]c1)C(=O)OC ZINC000245449892 535960535 /nfs/dbraw/zinc/96/05/35/535960535.db2.gz ODJKNJIKLTYEJJ-NOLJZWGESA-N 0 0 336.436 1.641 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)NCCC(C)(C)C ZINC000091049718 535977273 /nfs/dbraw/zinc/97/72/73/535977273.db2.gz ZRKVTPWXQLUJIY-UHFFFAOYSA-N 0 0 330.454 1.074 10 0 EDAERN CCn1cc(C2CCN(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000195499763 536035270 /nfs/dbraw/zinc/03/52/70/536035270.db2.gz JAIRHWKRZYHNGV-GASCZTMLSA-N 0 0 334.464 1.718 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCOc1cccc(F)c1)CC2 ZINC000114934777 536163156 /nfs/dbraw/zinc/16/31/56/536163156.db2.gz UCANEQAGYFGLFP-CYBMUJFWSA-N 0 0 347.394 1.673 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000125826789 536314072 /nfs/dbraw/zinc/31/40/72/536314072.db2.gz URXLOHNFIPEHCV-UHFFFAOYSA-N 0 0 348.428 1.338 10 0 EDAERN CN[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C)c1cnn(C)c1 ZINC000262498550 536337036 /nfs/dbraw/zinc/33/70/36/536337036.db2.gz IKRZOWAWQKTHPG-PIGZYNQJSA-N 0 0 341.415 1.077 10 0 EDAERN COCCOc1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)ccn1 ZINC000180443377 536594336 /nfs/dbraw/zinc/59/43/36/536594336.db2.gz UCJYKVTYUGCJFF-UHFFFAOYSA-N 0 0 330.388 1.850 10 0 EDAERN Cn1cc(C=CC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c2ccccc21 ZINC000742691446 579459740 /nfs/dbraw/zinc/45/97/40/579459740.db2.gz MHPYILWWPNPWTE-MJRGOJFPSA-N 0 0 338.367 1.002 10 0 EDAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C[C@H](N)C(F)(F)C(F)(F)F)C1 ZINC000757152605 578634895 /nfs/dbraw/zinc/63/48/95/578634895.db2.gz ZJEMQBDQHVIRRA-HLTSFMKQSA-N 0 0 338.342 1.819 10 0 EDAERN CC(=O)N1CC(OCc2nnc([C@@H]3Cc4cc(F)ccc4O3)o2)C1 ZINC000888076651 590931286 /nfs/dbraw/zinc/93/12/86/590931286.db2.gz BWCBVFMFHXRPLI-AWEZNQCLSA-N 0 0 333.319 1.632 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2nccn2C)cc1F ZINC000888076900 590933125 /nfs/dbraw/zinc/93/31/25/590933125.db2.gz WOMUDLVAAOUULO-IUODEOHRSA-N 0 0 346.362 1.318 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc[nH]c2C2CC2)cn1 ZINC000888093857 591023831 /nfs/dbraw/zinc/02/38/31/591023831.db2.gz ZSDCLMYTTFTIDD-LSDHHAIUSA-N 0 0 330.388 1.685 10 0 EDAERN COc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)nc1 ZINC000888094883 591025483 /nfs/dbraw/zinc/02/54/83/591025483.db2.gz HHYMVQJTQLAJKL-NSHDSACASA-N 0 0 343.387 1.282 10 0 EDAERN COc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)nc1 ZINC000888094882 591025515 /nfs/dbraw/zinc/02/55/15/591025515.db2.gz HHYMVQJTQLAJKL-LLVKDONJSA-N 0 0 343.387 1.282 10 0 EDAERN O=C(NC[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O)c1cccc(Cl)c1F ZINC000888095731 591026039 /nfs/dbraw/zinc/02/60/39/591026039.db2.gz XGGMNKYCIIBGOW-PTRXPTGYSA-N 0 0 338.770 1.882 10 0 EDAERN CCc1ncnc(N2CC(N3CCOC[C@H]3c3nc(C)no3)C2)c1F ZINC000888098145 591027315 /nfs/dbraw/zinc/02/73/15/591027315.db2.gz AJPBXLODZFRROZ-ZDUSSCGKSA-N 0 0 348.382 1.132 10 0 EDAERN CN1CCC[C@H]1c1cc(C(=O)N2CCO[C@@H](c3nccs3)C2)n[nH]1 ZINC000896285410 591409609 /nfs/dbraw/zinc/40/96/09/591409609.db2.gz CBUCLPWFBRLORS-UONOGXRCSA-N 0 0 347.444 1.847 10 0 EDAERN Cc1[nH]ccc1C(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818497291 593701492 /nfs/dbraw/zinc/70/14/92/593701492.db2.gz VPCFWYDWDLCOBJ-QGZVFWFLSA-N 0 0 330.388 1.793 10 0 EDAERN Cn1cc([C@H]2CCN(CN3C(=O)NC(C4CC4)(C4CC4)C3=O)C2)cn1 ZINC000116258669 595862714 /nfs/dbraw/zinc/86/27/14/595862714.db2.gz RUQVVFPRRGFZHP-LBPRGKRZSA-N 0 0 343.431 1.278 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cn3nc(C)sc3=S)CCO2)c1 ZINC000112072129 596016653 /nfs/dbraw/zinc/01/66/53/596016653.db2.gz ROCSOXUNVHXXQZ-GFCCVEGCSA-N 0 0 325.463 1.846 10 0 EDAERN CC[C@H]1CC(=O)N(CN2CCN(Cc3c(C)nn(C)c3C)CC2)C1 ZINC000119342259 596520397 /nfs/dbraw/zinc/52/03/97/596520397.db2.gz OSGBCOJYWLZXRV-INIZCTEOSA-N 0 0 333.480 1.371 10 0 EDAERN CC(C)N(C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CCC1 ZINC000126103720 597287395 /nfs/dbraw/zinc/28/73/95/597287395.db2.gz KQJJLTYSSWERLE-LBPRGKRZSA-N 0 0 349.456 1.903 10 0 EDAERN C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1cccc(Cl)c1 ZINC000126620623 597542197 /nfs/dbraw/zinc/54/21/97/597542197.db2.gz YAZFBXNLYZBSDW-ZWNOBZJWSA-N 0 0 330.837 1.294 10 0 EDAERN Cn1nccc1C1CCN(Cn2nc(CO)n(C3CC3)c2=S)CC1 ZINC000132973013 597916876 /nfs/dbraw/zinc/91/68/76/597916876.db2.gz SUGAIGBJCXDQRW-UHFFFAOYSA-N 0 0 348.476 1.812 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C)C1 ZINC000193109532 695585466 /nfs/dbraw/zinc/58/54/66/695585466.db2.gz QOFIQMMPMMSLMU-VXGBXAGGSA-N 0 0 335.429 1.372 10 0 EDAERN C[C@H](OC(=O)Cn1ncn(C)c1=O)c1ccccc1C(F)(F)F ZINC000154054549 696678523 /nfs/dbraw/zinc/67/85/23/696678523.db2.gz OOTVDTSFHQOTCG-VIFPVBQESA-N 0 0 329.278 1.905 10 0 EDAERN COc1cccc2c1CCN(CN1C(=O)[C@H]3CC=CC[C@@H]3C1=O)C2 ZINC000181449970 699607258 /nfs/dbraw/zinc/60/72/58/699607258.db2.gz IYKFCJNNFGAPJG-HOTGVXAUSA-N 0 0 326.396 1.962 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000155148245 703788872 /nfs/dbraw/zinc/78/88/72/703788872.db2.gz FKGMTDLZKAJIIX-GXTWGEPZSA-N 0 0 346.362 1.518 10 0 EDAERN COc1ccc(Br)cc1NC(=O)c1ccc(NN)nn1 ZINC000051125530 214079574 /nfs/dbraw/zinc/07/95/74/214079574.db2.gz RLJNRSOSDPMUMM-UHFFFAOYSA-N 0 0 338.165 1.786 10 0 EDAERN C[C@@H](O)CN(C)S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000051820908 214105037 /nfs/dbraw/zinc/10/50/37/214105037.db2.gz FRHSXPZWLXRQPA-ZCFIWIBFSA-N 0 0 344.177 1.729 10 0 EDAERN C[C@H](NC(=O)N(C)CCO)[C@H](OC1CCOCC1)c1ccccc1 ZINC000153561995 299070562 /nfs/dbraw/zinc/07/05/62/299070562.db2.gz QVIIKJMWXHKLTA-YOEHRIQHSA-N 0 0 336.432 1.946 10 0 EDAERN O=S(=O)(NC1(CO)CCCCC1)c1cncc(Br)c1 ZINC000053095766 214163313 /nfs/dbraw/zinc/16/33/13/214163313.db2.gz LUDNIHKOANVUAK-UHFFFAOYSA-N 0 0 349.250 1.818 10 0 EDAERN O=C(CCN1C(=O)C(=O)c2cccc(Br)c21)NC1CC1 ZINC000054050115 214212942 /nfs/dbraw/zinc/21/29/42/214212942.db2.gz ODOJQYZNOYTFFB-UHFFFAOYSA-N 0 0 337.173 1.647 10 0 EDAERN C[C@H](C[NH3+])C(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000062824536 214732459 /nfs/dbraw/zinc/73/24/59/214732459.db2.gz GQXGNCVDGTWAHA-ZCFIWIBFSA-N 0 0 348.140 1.523 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)c1 ZINC000173688761 231006288 /nfs/dbraw/zinc/00/62/88/231006288.db2.gz PEFFKJOIKYFITK-CQSZACIVSA-N 0 0 327.388 1.697 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@@H]1N1CCOCC1 ZINC000173966280 231084798 /nfs/dbraw/zinc/08/47/98/231084798.db2.gz PJCHJZFOWDGJFE-RDJZCZTQSA-N 0 0 344.459 1.475 10 0 EDAERN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000175005591 529406338 /nfs/dbraw/zinc/40/63/38/529406338.db2.gz WGAZVICENZHJAN-CHWSQXEVSA-N 0 0 340.445 1.523 10 0 EDAERN O=C([O-])CC[N@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H](O)C1 ZINC000097819579 219058630 /nfs/dbraw/zinc/05/86/30/219058630.db2.gz NBDAXELFVBNQBN-INIZCTEOSA-N 0 0 344.415 1.030 10 0 EDAERN CC[C@@H]1NC(=O)C(C)(C)N(Cc2ccc(Br)cn2)C1=O ZINC000168891932 529462933 /nfs/dbraw/zinc/46/29/33/529462933.db2.gz NLSFAWHOLDFYDS-NSHDSACASA-N 0 0 340.221 1.860 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)CCOC(C)C ZINC000175107393 231385600 /nfs/dbraw/zinc/38/56/00/231385600.db2.gz XSJWPPVZYVZXGD-CQSZACIVSA-N 0 0 329.466 1.929 10 0 EDAERN COc1ccccc1NC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000049683194 214025981 /nfs/dbraw/zinc/02/59/81/214025981.db2.gz YBAKXPYFQJMIRS-LBPRGKRZSA-N 0 0 349.412 1.812 10 0 EDAERN O=C(CCNC(=O)OCC(F)(F)F)N[C@@H]1COc2ccccc21 ZINC000058730163 214602334 /nfs/dbraw/zinc/60/23/34/214602334.db2.gz NUXQHKKTGACRJJ-SNVBAGLBSA-N 0 0 332.278 1.915 10 0 EDAERN COc1cccc(NC(=O)c2cnn([C@@H]3CCS(=O)(=O)C3)c2C)c1 ZINC000049658414 214025163 /nfs/dbraw/zinc/02/51/63/214025163.db2.gz FDVMZENRCLTIKQ-CYBMUJFWSA-N 0 0 349.412 1.812 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000177608017 303969221 /nfs/dbraw/zinc/96/92/21/303969221.db2.gz LDRCJBFZDPCNTI-GXTWGEPZSA-N 0 0 347.325 1.701 10 0 EDAERN Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)C(C(N)=O)=C(N)O2 ZINC000058950850 214611704 /nfs/dbraw/zinc/61/17/04/214611704.db2.gz ISSXEJBLLGDDLH-JTQLQIEISA-N 0 0 349.188 1.661 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000181733622 529698899 /nfs/dbraw/zinc/69/88/99/529698899.db2.gz OYNSZASZZVVEJC-HOTGVXAUSA-N 0 0 347.459 1.651 10 0 EDAERN COCCCOc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000176475903 231659667 /nfs/dbraw/zinc/65/96/67/231659667.db2.gz QWFIQTFEBKEXPW-CQSZACIVSA-N 0 0 330.388 1.438 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)c2cnccn2)N2CCOCC2)s1 ZINC000176561677 231680268 /nfs/dbraw/zinc/68/02/68/231680268.db2.gz RYNMFGGYDVLJAK-CQSZACIVSA-N 0 0 332.429 1.650 10 0 EDAERN CN(C)c1nc(Cl)nc(Oc2cccc(S(C)(=O)=O)c2)n1 ZINC000061521747 214664262 /nfs/dbraw/zinc/66/42/62/214664262.db2.gz OKCZZQCSNQJQHA-UHFFFAOYSA-N 0 0 328.781 1.787 10 0 EDAERN O=S1(=O)C[C@H](O)[C@@H](Nc2cc(Br)ccc2Cl)C1 ZINC000061691176 214671439 /nfs/dbraw/zinc/67/14/39/214671439.db2.gz IICQDHFBBQTKCM-UWVGGRQHSA-N 0 0 340.626 1.672 10 0 EDAERN CONC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000062125443 214700798 /nfs/dbraw/zinc/70/07/98/214700798.db2.gz PNQWRKDOOHTNJC-VIFPVBQESA-N 0 0 341.414 1.262 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000151094653 529750553 /nfs/dbraw/zinc/75/05/53/529750553.db2.gz AIUWRJBKWXCCQT-CJNGLKHVSA-N 0 0 349.479 1.979 10 0 EDAERN CCNc1ccc(Cl)c(CN2CCN(S(C)(=O)=O)CC2)n1 ZINC000062086204 214698162 /nfs/dbraw/zinc/69/81/62/214698162.db2.gz AWYVNNLNDINJTG-UHFFFAOYSA-N 0 0 332.857 1.244 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000154747895 529784070 /nfs/dbraw/zinc/78/40/70/529784070.db2.gz ZZJCXEXULBYSRT-NSHDSACASA-N 0 0 336.816 1.229 10 0 EDAERN COc1ccc(N2CCN(CC(=O)Nc3cc(C)on3)C2=O)cc1 ZINC000049384399 214003779 /nfs/dbraw/zinc/00/37/79/214003779.db2.gz SFQUCAQSNHULQS-UHFFFAOYSA-N 0 0 330.344 1.872 10 0 EDAERN CCOc1ccc(N2CCN(CC(=O)Nc3ncccn3)C2=O)cc1 ZINC000049386451 214003579 /nfs/dbraw/zinc/00/35/79/214003579.db2.gz VTLBPXANVSQZTO-UHFFFAOYSA-N 0 0 341.371 1.756 10 0 EDAERN CN(C)c1ncc(NC(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000154916020 529811710 /nfs/dbraw/zinc/81/17/10/529811710.db2.gz NAOHXENQYIZITR-UHFFFAOYSA-N 0 0 342.407 1.441 10 0 EDAERN CNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000173341818 529922104 /nfs/dbraw/zinc/92/21/04/529922104.db2.gz RDWLQWAVFSONSZ-HOCLYGCPSA-N 0 0 333.432 1.759 10 0 EDAERN CCc1noc2ncc(C(=O)N[C@@H]3CCCn4nc(C)nc43)cc12 ZINC000177716749 231966713 /nfs/dbraw/zinc/96/67/13/231966713.db2.gz KBHRVOXNVIETBA-CYBMUJFWSA-N 0 0 326.360 1.950 10 0 EDAERN Cc1cc(N(C)[C@H]2CCS(=O)(=O)C2)c2cccc(C(=O)[O-])c2[nH+]1 ZINC000004226582 210147497 /nfs/dbraw/zinc/14/74/97/210147497.db2.gz WSYDLVPVLXRGRY-NSHDSACASA-N 0 0 334.397 1.865 10 0 EDAERN C[N@@H+]1CCC[C@H]1CCOc1nc[n-]c(=O)c1I ZINC000165716802 530062976 /nfs/dbraw/zinc/06/29/76/530062976.db2.gz ZCCRKZOMJHCBKU-QMMMGPOBSA-N 0 0 349.172 1.238 10 0 EDAERN O=C(NCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccco1 ZINC000178493894 232198819 /nfs/dbraw/zinc/19/88/19/232198819.db2.gz BLUSPPKSFBBKQU-DYVFJYSZSA-N 0 0 335.404 1.346 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2cccnc2OC)C1 ZINC000101784214 219164809 /nfs/dbraw/zinc/16/48/09/219164809.db2.gz RYMSIFVBYLFUCK-CQSZACIVSA-N 0 0 334.420 1.681 10 0 EDAERN CNC(=O)CCc1ccc(NC(=O)CCC(=O)OCCOC)cc1 ZINC000066197364 215020598 /nfs/dbraw/zinc/02/05/98/215020598.db2.gz LOAOSWRBLCTNPW-UHFFFAOYSA-N 0 0 336.388 1.274 10 0 EDAERN CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O ZINC000102309438 219193718 /nfs/dbraw/zinc/19/37/18/219193718.db2.gz CLMUVAPOORVTHB-ZDUSSCGKSA-N 0 0 335.381 1.817 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)N[C@H]3CCCC[C@@H]3CO)ccc2o1 ZINC000178918234 232605187 /nfs/dbraw/zinc/60/51/87/232605187.db2.gz SRVWZZPLALTHDE-OCCSQVGLSA-N 0 0 337.397 1.622 10 0 EDAERN C[C@@H](O)CCNC(=O)c1cc(CN2CCc3ccccc3C2)on1 ZINC000067879481 215239000 /nfs/dbraw/zinc/23/90/00/215239000.db2.gz WLDNNJRHBGUQDV-CYBMUJFWSA-N 0 0 329.400 1.734 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000103381294 219294772 /nfs/dbraw/zinc/29/47/72/219294772.db2.gz KPBDDEGOTXJJJN-ZDUSSCGKSA-N 0 0 338.835 1.836 10 0 EDAERN CNS(=O)(=O)Cc1cc(Br)c(Br)o1 ZINC000669375795 539740693 /nfs/dbraw/zinc/74/06/93/539740693.db2.gz VAAOTCKYSKOCTM-UHFFFAOYSA-N 0 0 333.001 1.854 10 0 EDAERN Cn1cc(NC(=O)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cn1 ZINC000159101050 282658111 /nfs/dbraw/zinc/65/81/11/282658111.db2.gz GKMKCDLANWUIDG-CYBMUJFWSA-N 0 0 328.372 1.777 10 0 EDAERN CCc1csc([C@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000103473112 219304860 /nfs/dbraw/zinc/30/48/60/219304860.db2.gz DRTCBHKNCHHYKJ-NSHDSACASA-N 0 0 347.492 1.918 10 0 EDAERN O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1cnc(Cl)s1 ZINC000040802955 213388747 /nfs/dbraw/zinc/38/87/47/213388747.db2.gz ACMPXTYMLXMPPX-MRVPVSSYSA-N 0 0 346.817 1.915 10 0 EDAERN CCN1CCC[C@@H](NS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000040691978 213370166 /nfs/dbraw/zinc/37/01/66/213370166.db2.gz FBOGMSXQJHDDHO-SECBINFHSA-N 0 0 348.881 1.812 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NC(=O)c2cc(-c3ccco3)on2)no1 ZINC000040655667 213365484 /nfs/dbraw/zinc/36/54/84/213365484.db2.gz KKYMCRQIUQTOMY-VIFPVBQESA-N 0 0 330.300 1.988 10 0 EDAERN COCCS(=O)(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 ZINC000040655505 213365039 /nfs/dbraw/zinc/36/50/39/213365039.db2.gz QNPGUDSJRYABGV-HNNXBMFYSA-N 0 0 330.425 1.528 10 0 EDAERN COc1ccc(CC2CCN(S(=O)(=O)N(C)C)CC2)cc1OC ZINC000040622049 213360103 /nfs/dbraw/zinc/36/01/03/213360103.db2.gz QEVRYQPSJWRWIL-UHFFFAOYSA-N 0 0 342.461 1.765 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)nn1-c1ccc(F)cc1 ZINC000180385554 233847758 /nfs/dbraw/zinc/84/77/58/233847758.db2.gz BJZYQCGHLJMRAZ-CYBMUJFWSA-N 0 0 340.362 1.656 10 0 EDAERN CCCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000008583929 539832077 /nfs/dbraw/zinc/83/20/77/539832077.db2.gz JSCJKBXGQOBFHI-UHFFFAOYSA-N 0 0 339.399 1.725 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)Nc2nc(CS(C)(=O)=O)no2)o1 ZINC000180581568 233911610 /nfs/dbraw/zinc/91/16/10/233911610.db2.gz NHXJZTYPDKBYNS-MRVPVSSYSA-N 0 0 328.350 1.398 10 0 EDAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000181042028 234068086 /nfs/dbraw/zinc/06/80/86/234068086.db2.gz SXYYCMJILJBWTP-DZGCQCFKSA-N 0 0 342.399 1.683 10 0 EDAERN Cc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1O ZINC000181099693 234086533 /nfs/dbraw/zinc/08/65/33/234086533.db2.gz KIXUUTGKZNWMCY-UHFFFAOYSA-N 0 0 338.371 1.101 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181620525 234255572 /nfs/dbraw/zinc/25/55/72/234255572.db2.gz XKJDTXTVRCHTQY-LBPRGKRZSA-N 0 0 344.419 1.545 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCC(=O)N2CCOCC2)o1 ZINC000181859572 234356836 /nfs/dbraw/zinc/35/68/36/234356836.db2.gz AIODBYOYXDDJCN-AWEZNQCLSA-N 0 0 335.404 1.683 10 0 EDAERN COCC(=O)NCCc1nc2ccccc2n1CC(=O)OC(C)C ZINC000040198057 213281078 /nfs/dbraw/zinc/28/10/78/213281078.db2.gz UNFAJVHEAJAFMY-UHFFFAOYSA-N 0 0 333.388 1.293 10 0 EDAERN CCc1nnc(NC(=O)/C=C/c2ccc(-n3cnnn3)cc2)s1 ZINC000040180390 213281035 /nfs/dbraw/zinc/28/10/35/213281035.db2.gz WNOSINSCLBSUJS-VMPITWQZSA-N 0 0 327.373 1.728 10 0 EDAERN O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCNC(=O)C1 ZINC000038670976 213219411 /nfs/dbraw/zinc/21/94/11/213219411.db2.gz AGEBZHIIJWLFSG-UHFFFAOYSA-N 0 0 326.381 1.863 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C)c1O ZINC000174984288 540096767 /nfs/dbraw/zinc/09/67/67/540096767.db2.gz VHBRCMWBERUMFJ-CYBMUJFWSA-N 0 0 326.418 1.843 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cnn(CC3CC3)c2)cn1 ZINC000177923249 540107750 /nfs/dbraw/zinc/10/77/50/540107750.db2.gz IKRPBDGTIKUGIC-HNNXBMFYSA-N 0 0 342.403 1.329 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccs1 ZINC000180756060 540122040 /nfs/dbraw/zinc/12/20/40/540122040.db2.gz URXGDQUFHCMTCJ-QJPTWQEYSA-N 0 0 325.434 1.744 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)C(C)C ZINC000183690144 540140194 /nfs/dbraw/zinc/14/01/94/540140194.db2.gz AXMFUNHUGDMJLP-SJORKVTESA-N 0 0 347.459 1.071 10 0 EDAERN COc1c(CN2CCN(c3nccc(C(C)C)n3)CC2)c(C)nn1C ZINC000185657575 540148619 /nfs/dbraw/zinc/14/86/19/540148619.db2.gz MAUOUPPMRSPLQY-UHFFFAOYSA-N 0 0 344.463 1.973 10 0 EDAERN C[C@H](CNC(=O)c1cc(COC(C)(C)C)on1)N1CCOCC1 ZINC000183946729 235268197 /nfs/dbraw/zinc/26/81/97/235268197.db2.gz WWJOBKYRYPDPIM-GFCCVEGCSA-N 0 0 325.409 1.440 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000188782007 540160620 /nfs/dbraw/zinc/16/06/20/540160620.db2.gz CZZWYIWRBLRRQG-GVDBMIGSSA-N 0 0 334.391 1.341 10 0 EDAERN OC[C@H]1C[C@H](O)CN1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000184004267 235283616 /nfs/dbraw/zinc/28/36/16/235283616.db2.gz SGAPRNLDMQNKNO-OLZOCXBDSA-N 0 0 334.397 1.466 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H]1CCN(C)C(=O)C1)C(C)C ZINC000190086454 540167366 /nfs/dbraw/zinc/16/73/66/540167366.db2.gz WHQKQBAYULWFIT-RHSMWYFYSA-N 0 0 345.443 1.486 10 0 EDAERN COc1ccc(-c2nnc(CNC(=O)[C@H]3CCCO[C@H]3C)[nH]2)cc1 ZINC000191260346 540173923 /nfs/dbraw/zinc/17/39/23/540173923.db2.gz KEHXQYSSDDPYKV-FZMZJTMJSA-N 0 0 330.388 1.912 10 0 EDAERN CC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192546458 540179699 /nfs/dbraw/zinc/17/96/99/540179699.db2.gz ADRUNJZPZUROCU-AWEZNQCLSA-N 0 0 328.409 1.200 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC000056967691 138152553 /nfs/dbraw/zinc/15/25/53/138152553.db2.gz FETVAVKFKXYOSJ-GFCCVEGCSA-N 0 0 329.404 1.420 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)CC(=O)N(C)C)C(C)C ZINC000072781164 138210017 /nfs/dbraw/zinc/21/00/17/138210017.db2.gz KEOCOQIWKDRMKR-MRXNPFEDSA-N 0 0 333.432 1.296 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000185371428 235651876 /nfs/dbraw/zinc/65/18/76/235651876.db2.gz AWHPNQDJIDVULA-KRWDZBQOSA-N 0 0 349.406 1.823 10 0 EDAERN CN(C)S(=O)(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000074562258 138237273 /nfs/dbraw/zinc/23/72/73/138237273.db2.gz TYCFFZKWULQTTG-UHFFFAOYSA-N 0 0 333.841 1.391 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccccc1OC ZINC000088787198 138272861 /nfs/dbraw/zinc/27/28/61/138272861.db2.gz BNXJGUUITJHNHE-LLVKDONJSA-N 0 0 336.417 1.663 10 0 EDAERN COCc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)ncn1 ZINC000091228075 138283361 /nfs/dbraw/zinc/28/33/61/138283361.db2.gz ZUNXSULGYRBFKE-GFCCVEGCSA-N 0 0 330.344 1.518 10 0 EDAERN CN(C)C(=O)c1ccc(CN2CCC(Nc3cccnn3)CC2)[nH]1 ZINC000120285739 138315316 /nfs/dbraw/zinc/31/53/16/138315316.db2.gz MSGLEMNVJWOXKP-UHFFFAOYSA-N 0 0 328.420 1.583 10 0 EDAERN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105910341 138302512 /nfs/dbraw/zinc/30/25/12/138302512.db2.gz QMCYJKPUSLJAEK-HOCLYGCPSA-N 0 0 347.463 1.061 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N(C)Cc3ccco3)CC2)nn1 ZINC000105909489 138302545 /nfs/dbraw/zinc/30/25/45/138302545.db2.gz AKUDHUYNMWKIFQ-UHFFFAOYSA-N 0 0 343.431 1.549 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccnc(-n2ccnc2)c1 ZINC000124049117 138323428 /nfs/dbraw/zinc/32/34/28/138323428.db2.gz QMJCUXDYEAVPNK-CYBMUJFWSA-N 0 0 337.387 1.686 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2N)CCO1 ZINC000037928729 213173267 /nfs/dbraw/zinc/17/32/67/213173267.db2.gz YPLYMACGAWLSHU-MRVPVSSYSA-N 0 0 335.223 1.441 10 0 EDAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000130740264 138346670 /nfs/dbraw/zinc/34/66/70/138346670.db2.gz DSVJWGIVUGNHTQ-BBRMVZONSA-N 0 0 342.399 1.803 10 0 EDAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000130903950 138349230 /nfs/dbraw/zinc/34/92/30/138349230.db2.gz JXCBDHQAYZWHDN-ZIAGYGMSSA-N 0 0 342.399 1.755 10 0 EDAERN Nc1c(-n2cccn2)ncnc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186148451 235834965 /nfs/dbraw/zinc/83/49/65/235834965.db2.gz ZNVZPEFBTNXQNK-STQMWFEESA-N 0 0 342.428 1.518 10 0 EDAERN Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133597906 138395624 /nfs/dbraw/zinc/39/56/24/138395624.db2.gz VGRSFUDUUQSACO-SNVBAGLBSA-N 0 0 336.827 1.842 10 0 EDAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135316664 138422592 /nfs/dbraw/zinc/42/25/92/138422592.db2.gz MAYVESUNGZSMNA-WDEREUQCSA-N 0 0 331.376 1.203 10 0 EDAERN Cc1csc([C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C2CC2)n1 ZINC000187292635 236169792 /nfs/dbraw/zinc/16/97/92/236169792.db2.gz NKJGLUWTAQFHQR-ZDUSSCGKSA-N 0 0 334.445 1.823 10 0 EDAERN COCCOCCOC(=O)c1cc(N)c(F)cc1Br ZINC000070482799 215699175 /nfs/dbraw/zinc/69/91/75/215699175.db2.gz UJWYIUJVZHYIQJ-UHFFFAOYSA-N 0 0 336.157 1.990 10 0 EDAERN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccncc1 ZINC000036101563 213066954 /nfs/dbraw/zinc/06/69/54/213066954.db2.gz FVZURGPMXIYVHK-UHFFFAOYSA-N 0 0 347.396 1.882 10 0 EDAERN O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1CCCC[C@H]1O ZINC000155783050 138545821 /nfs/dbraw/zinc/54/58/21/138545821.db2.gz GYFLGZQFQOVHOH-NVXWUHKLSA-N 0 0 341.411 1.578 10 0 EDAERN CCOc1cccc2[nH]cc(CC(=O)NC[C@H]3CN(C)CCO3)c21 ZINC000187615669 236260515 /nfs/dbraw/zinc/26/05/15/236260515.db2.gz SJXVKAVZAVEMPP-AWEZNQCLSA-N 0 0 331.416 1.556 10 0 EDAERN Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187651654 236269253 /nfs/dbraw/zinc/26/92/53/236269253.db2.gz GBVRKKXWWRUMEQ-HOCLYGCPSA-N 0 0 333.457 1.875 10 0 EDAERN O=C(Cn1cnnn1)NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156654306 138561805 /nfs/dbraw/zinc/56/18/05/138561805.db2.gz JMRBPQTYPDOGCM-LDYMZIIASA-N 0 0 326.187 1.900 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1)C1CC1 ZINC000187922589 236341667 /nfs/dbraw/zinc/34/16/67/236341667.db2.gz BDOPCURXPDHXKL-UHFFFAOYSA-N 0 0 349.239 1.893 10 0 EDAERN Nc1ccc(S(=O)(=O)NCc2cc(Br)cs2)cn1 ZINC000071306777 215757265 /nfs/dbraw/zinc/75/72/65/215757265.db2.gz ZOHUYFPUMNTIIX-UHFFFAOYSA-N 0 0 348.247 1.966 10 0 EDAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171234047 138655807 /nfs/dbraw/zinc/65/58/07/138655807.db2.gz BXURMZJBMYFLEU-LSDHHAIUSA-N 0 0 348.447 1.950 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@H](O)COCC(C)C)CC2)n1 ZINC000171624612 138658694 /nfs/dbraw/zinc/65/86/94/138658694.db2.gz MCAHPBUVNJCPHK-HIFRSBDPSA-N 0 0 326.441 1.090 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000177640001 138732098 /nfs/dbraw/zinc/73/20/98/138732098.db2.gz PLSQROSLFZPXTE-CYBMUJFWSA-N 0 0 341.415 1.527 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(C2CC2)nc2onc(C)c21)C(C)C ZINC000178678946 138744191 /nfs/dbraw/zinc/74/41/91/138744191.db2.gz JVFQDBKAJXNXJR-CQSZACIVSA-N 0 0 330.388 1.909 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCOc2ccc(F)c(F)c2)C1 ZINC000106566459 219667911 /nfs/dbraw/zinc/66/79/11/219667911.db2.gz IROAXFZIGATQKN-LBPRGKRZSA-N 0 0 341.358 1.654 10 0 EDAERN Cc1ccn(C)c1C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000189815638 237278582 /nfs/dbraw/zinc/27/85/82/237278582.db2.gz JPJSFTMJKBBGJP-UHFFFAOYSA-N 0 0 329.448 1.642 10 0 EDAERN Cc1ccccc1CCNC(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176565976 237341710 /nfs/dbraw/zinc/34/17/10/237341710.db2.gz LRTNSFIVHXJOHL-DEOSSOPVSA-N 0 0 349.460 1.170 10 0 EDAERN O=S(=O)(NCc1cccc(F)c1)c1cnn(-c2ccccn2)c1 ZINC000072238933 216077362 /nfs/dbraw/zinc/07/73/62/216077362.db2.gz RTMPMQAJIWRHDT-UHFFFAOYSA-N 0 0 332.360 1.885 10 0 EDAERN CC(C)Cn1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000183153586 138782163 /nfs/dbraw/zinc/78/21/63/138782163.db2.gz DKDVDOGREPCVCW-OAHLLOKOSA-N 0 0 328.420 1.728 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)C12CCOCC2 ZINC000185088052 138800964 /nfs/dbraw/zinc/80/09/64/138800964.db2.gz WMAKDLCBRVGXKJ-CHWSQXEVSA-N 0 0 326.437 1.239 10 0 EDAERN O=C(NC1CN(C(=O)NCCCn2cnc3ccccc32)C1)C1CC1 ZINC000190024202 238179062 /nfs/dbraw/zinc/17/90/62/238179062.db2.gz NPTHLXNHPPPVSW-UHFFFAOYSA-N 0 0 341.415 1.346 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2sc(C)cc2OC(F)F)C1 ZINC000185241891 138803272 /nfs/dbraw/zinc/80/32/72/138803272.db2.gz BOKJQRVDPQHFGF-UHFFFAOYSA-N 0 0 334.344 1.245 10 0 EDAERN Nc1nc(N2CCOCC2)[nH]c(=O)c1C(=S)Nc1ccccc1F ZINC000072450559 216238919 /nfs/dbraw/zinc/23/89/19/216238919.db2.gz UFZSCSZITWKJBL-UHFFFAOYSA-N 0 0 349.391 1.115 10 0 EDAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000185783638 138808691 /nfs/dbraw/zinc/80/86/91/138808691.db2.gz CYOCACMRQHQNTC-UONOGXRCSA-N 0 0 337.468 1.765 10 0 EDAERN C[C@H](CO)N(C[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000190202987 238294536 /nfs/dbraw/zinc/29/45/36/238294536.db2.gz NFQKPXGIMOUWJU-DYEKYZERSA-N 0 0 348.365 1.933 10 0 EDAERN CCCNC(=O)CCCC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186467264 138816959 /nfs/dbraw/zinc/81/69/59/138816959.db2.gz CTIMRZIULBLZTK-LSDHHAIUSA-N 0 0 340.464 1.773 10 0 EDAERN COc1ccc(-c2ncc(C(=O)N3CC(NC(C)=O)C3)s2)cc1 ZINC000190469691 238512849 /nfs/dbraw/zinc/51/28/49/238512849.db2.gz LRDPWKUCOWVESZ-UHFFFAOYSA-N 0 0 331.397 1.779 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000188082285 138831445 /nfs/dbraw/zinc/83/14/45/138831445.db2.gz JOLRNEZCZIKUFC-PELKAZGASA-N 0 0 331.199 1.764 10 0 EDAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000074187631 299334501 /nfs/dbraw/zinc/33/45/01/299334501.db2.gz MPOKFJJBBBHIPY-CFVMTHIKSA-N 0 0 340.445 1.039 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)C1 ZINC000188556390 138844791 /nfs/dbraw/zinc/84/47/91/138844791.db2.gz HVEJTTZTCCKRIO-QMMMGPOBSA-N 0 0 344.820 1.172 10 0 EDAERN O=C(NC1CN(C(=O)c2nc(Br)cs2)C1)C1CC1 ZINC000189016329 138858274 /nfs/dbraw/zinc/85/82/74/138858274.db2.gz IVBDQAGUCIAOBC-UHFFFAOYSA-N 0 0 330.207 1.256 10 0 EDAERN CN(C)C[C@H](NS(=O)(=O)N1CCCCCC1)c1ccccc1 ZINC000022412922 212295967 /nfs/dbraw/zinc/29/59/67/212295967.db2.gz UWJLYLUTCNRIJP-INIZCTEOSA-N 0 0 325.478 2.000 10 0 EDAERN CCN1CCN(Cc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)[C@H](C)C1=O ZINC000020820429 212174201 /nfs/dbraw/zinc/17/42/01/212174201.db2.gz YDGHBPVACCGLDS-CQSZACIVSA-N 0 0 340.427 1.798 10 0 EDAERN COc1ccc([C@H]2C(C(N)=O)=C(C)Nc3nc(C)nn32)cc1OC ZINC000020804558 212173729 /nfs/dbraw/zinc/17/37/29/212173729.db2.gz PSXIWFLWJFFKAU-AWEZNQCLSA-N 0 0 329.360 1.378 10 0 EDAERN CCC(=O)Nc1cc(CN2C(=O)[C@@H]3CCCN3C2=O)ccc1OC ZINC000020529688 212143626 /nfs/dbraw/zinc/14/36/26/212143626.db2.gz RCCPGRVEAYGUKR-ZDUSSCGKSA-N 0 0 331.372 1.970 10 0 EDAERN NC(=O)CCN(Cc1ccccc1)C(=S)NC(=O)c1ccco1 ZINC000020120165 212104370 /nfs/dbraw/zinc/10/43/70/212104370.db2.gz GGUQTRCODLPBOA-UHFFFAOYSA-N 0 0 331.397 1.672 10 0 EDAERN O=C(Cn1nnc2ccccc21)Nc1nnc([C@@H]2CCCO2)s1 ZINC000019995027 212093873 /nfs/dbraw/zinc/09/38/73/212093873.db2.gz VXKCDUSIDSZHLZ-NSHDSACASA-N 0 0 330.373 1.773 10 0 EDAERN COc1ccc(NC(=O)CS(=O)(=O)CC(=O)c2ccccc2)cc1 ZINC000019981172 212092333 /nfs/dbraw/zinc/09/23/33/212092333.db2.gz XMCBXWWBQKDVPA-UHFFFAOYSA-N 0 0 347.392 1.931 10 0 EDAERN CCCN(CCO)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000193032821 138959280 /nfs/dbraw/zinc/95/92/80/138959280.db2.gz HHUDRJJYVULPGJ-ZDUSSCGKSA-N 0 0 326.418 1.319 10 0 EDAERN CCCCOC[C@@H](O)Cn1cnc2c(nnn2-c2ccccc2)c1=O ZINC000193376439 138967792 /nfs/dbraw/zinc/96/77/92/138967792.db2.gz ZJBHNWLCGNRQQU-AWEZNQCLSA-N 0 0 343.387 1.155 10 0 EDAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N[C@H]1COc2ccccc21 ZINC000195107518 139007183 /nfs/dbraw/zinc/00/71/83/139007183.db2.gz FVYODMXOEAOYOS-AWEZNQCLSA-N 0 0 332.306 1.945 10 0 EDAERN CCCCOC[C@H](O)CN1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000195235338 139010862 /nfs/dbraw/zinc/01/08/62/139010862.db2.gz UYEJSCJGCXSDSY-LSDHHAIUSA-N 0 0 325.405 1.731 10 0 EDAERN CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000048916381 213970813 /nfs/dbraw/zinc/97/08/13/213970813.db2.gz IIEHFRHHSUQKQH-JQWIXIFHSA-N 0 0 328.459 1.509 10 0 EDAERN O=C(CN1CCC(c2cc[nH]n2)CC1)NC(=O)NCc1ccccc1 ZINC000195506543 139018589 /nfs/dbraw/zinc/01/85/89/139018589.db2.gz SFMCHRJQNNPFOJ-UHFFFAOYSA-N 0 0 341.415 1.615 10 0 EDAERN O=C(N1CCOCC1)N1CCN([C@@H]2CCOc3ccccc32)CC1 ZINC000049720542 214029142 /nfs/dbraw/zinc/02/91/42/214029142.db2.gz HFEOGCGBKNGCSX-MRXNPFEDSA-N 0 0 331.416 1.580 10 0 EDAERN CCCCOCCNC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000195521865 139019967 /nfs/dbraw/zinc/01/99/67/139019967.db2.gz NWCBKLNJSZSABN-CYBMUJFWSA-N 0 0 327.450 1.449 10 0 EDAERN O=C(c1cc(Cl)ccc1Br)N1CCO[C@@H](CO)C1 ZINC000225903828 139021631 /nfs/dbraw/zinc/02/16/31/139021631.db2.gz XLLYSHMCMGKPDV-SECBINFHSA-N 0 0 334.597 1.936 10 0 EDAERN CCc1nc2cc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3CO)ccc2o1 ZINC000078989002 217167169 /nfs/dbraw/zinc/16/71/69/217167169.db2.gz SEIXLKPMFQINIS-AAEUAGOBSA-N 0 0 345.399 1.996 10 0 EDAERN CO[C@H](C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccccc1 ZINC000110892700 220075723 /nfs/dbraw/zinc/07/57/23/220075723.db2.gz SKXZCBWUJHWRDX-BBRMVZONSA-N 0 0 344.415 1.971 10 0 EDAERN COc1cccc([C@@H](C)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111084869 220097465 /nfs/dbraw/zinc/09/74/65/220097465.db2.gz JAVCWBJNPGYORS-PBHICJAKSA-N 0 0 329.400 1.923 10 0 EDAERN C[C@@H](CNC(=O)NCCc1c(F)cccc1F)N1CCOCC1 ZINC000079981708 217269061 /nfs/dbraw/zinc/26/90/61/217269061.db2.gz MDLCIYCSTRIBSQ-LBPRGKRZSA-N 0 0 327.375 1.527 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC[C@H](Cn3cncn3)C2)no1 ZINC000111229168 220116396 /nfs/dbraw/zinc/11/63/96/220116396.db2.gz BFRYPOBQWUFYEP-ZDUSSCGKSA-N 0 0 348.407 1.069 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccc(C)cc2)C1 ZINC000111500927 220161107 /nfs/dbraw/zinc/16/11/07/220161107.db2.gz XSASYUYIJUNATO-MRXNPFEDSA-N 0 0 346.431 1.035 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000081073952 217357452 /nfs/dbraw/zinc/35/74/52/217357452.db2.gz LBIJIJJDLXITPV-LLVKDONJSA-N 0 0 341.824 1.589 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000081073444 217358120 /nfs/dbraw/zinc/35/81/20/217358120.db2.gz QOEPNUKKEDYCDV-LLVKDONJSA-N 0 0 346.334 1.817 10 0 EDAERN COc1ccc(OC)c(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112064475 220237873 /nfs/dbraw/zinc/23/78/73/220237873.db2.gz KMJADEJFNHQKAA-OAHLLOKOSA-N 0 0 345.399 1.750 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H](C)O[C@H](C)C2)ncn1 ZINC000245499709 139076955 /nfs/dbraw/zinc/07/69/55/139076955.db2.gz YRONRADKFGJMRV-MGPQQGTHSA-N 0 0 348.451 1.306 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)c1 ZINC000112117876 220246586 /nfs/dbraw/zinc/24/65/86/220246586.db2.gz UCCNKROLIUZEAE-AWEZNQCLSA-N 0 0 325.372 1.609 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)[C@@H]1CCCO1 ZINC000245693406 139083309 /nfs/dbraw/zinc/08/33/09/139083309.db2.gz QOUWVRCXPCPSAO-ZQDZILKHSA-N 0 0 336.436 1.443 10 0 EDAERN C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)[C@H]1CCCO1 ZINC000245955204 139091248 /nfs/dbraw/zinc/09/12/48/139091248.db2.gz CMFYJHFTVDEVMM-NWANDNLSSA-N 0 0 340.445 1.639 10 0 EDAERN COc1ccccc1N1CC[C@@H](N2CCC[C@@H](n3cncn3)C2)C1=O ZINC000246199257 139098932 /nfs/dbraw/zinc/09/89/32/139098932.db2.gz IYRLSLIBRFDRLE-GDBMZVCRSA-N 0 0 341.415 1.729 10 0 EDAERN C[C@H](NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)[C@@H]1CCCO1 ZINC000246281890 139102369 /nfs/dbraw/zinc/10/23/69/139102369.db2.gz NTADFOTYOOHCQL-AEGPPILISA-N 0 0 336.436 1.443 10 0 EDAERN Cc1cccc(CS(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000246379103 139106377 /nfs/dbraw/zinc/10/63/77/139106377.db2.gz AWYBOEUPUQWDPL-RDJZCZTQSA-N 0 0 338.473 1.477 10 0 EDAERN Cn1ccc(N2CCC[C@@H](N3CC[C@@H](Oc4cccnc4)C3)C2=O)n1 ZINC000246703500 139117966 /nfs/dbraw/zinc/11/79/66/139117966.db2.gz NJZMEQKMZFCMCG-HZPDHXFCSA-N 0 0 341.415 1.464 10 0 EDAERN CCOc1ccc(OCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246862098 139124629 /nfs/dbraw/zinc/12/46/29/139124629.db2.gz VQFDCRCCNVDPOP-GJZGRUSLSA-N 0 0 336.432 1.378 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)CC2CCCCC2)C[C@H]1C ZINC000247002022 139130699 /nfs/dbraw/zinc/13/06/99/139130699.db2.gz BNDVCJYCXFJYEI-CVEARBPZSA-N 0 0 325.497 1.412 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCC(=O)NC1CC1 ZINC000173973720 284549965 /nfs/dbraw/zinc/54/99/65/284549965.db2.gz BHOMCZUGCZWAAE-CQSZACIVSA-N 0 0 338.452 1.088 10 0 EDAERN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247108495 139135875 /nfs/dbraw/zinc/13/58/75/139135875.db2.gz ITXQODMJGBPUFW-YPMHNXCESA-N 0 0 327.375 1.554 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C[C@@H]1C ZINC000247154766 139138011 /nfs/dbraw/zinc/13/80/11/139138011.db2.gz LWIZRPXPCYYCCL-HOTGVXAUSA-N 0 0 349.475 1.983 10 0 EDAERN COCCN1CCN(C(=O)CSC[C@H]2CCCCO2)C[C@H]1C ZINC000247221045 139141129 /nfs/dbraw/zinc/14/11/29/139141129.db2.gz VMFHTWPOODPTHZ-HUUCEWRRSA-N 0 0 330.494 1.468 10 0 EDAERN O=C(c1ccc2c(c1)CCC(=O)N2)N1CC[C@H](N2CCOCC2)C1 ZINC000172766439 284674519 /nfs/dbraw/zinc/67/45/19/284674519.db2.gz JFBYRCYCOYGDJU-HNNXBMFYSA-N 0 0 329.400 1.118 10 0 EDAERN C[C@H](C[S@@](C)=O)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000248440923 139164012 /nfs/dbraw/zinc/16/40/12/139164012.db2.gz DHPGXETZCASBDN-XJUBTRFSSA-N 0 0 326.418 1.585 10 0 EDAERN O=C(c1ccco1)N1CC[C@@H]2[C@@H](CO[C@H]2CNc2ncccn2)C1 ZINC000096064323 284719671 /nfs/dbraw/zinc/71/96/71/284719671.db2.gz FKLKZBNRQWOXEY-NFAWXSAZSA-N 0 0 328.372 1.659 10 0 EDAERN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091784801 218065961 /nfs/dbraw/zinc/06/59/61/218065961.db2.gz ONPWENVYCIPPLM-KOLCDFICSA-N 0 0 328.821 1.533 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1=O ZINC000091829644 218071965 /nfs/dbraw/zinc/07/19/65/218071965.db2.gz QRTLLLSVYFKTFT-LSDHHAIUSA-N 0 0 333.432 1.043 10 0 EDAERN CCNC(=O)NC(=O)[C@H](C)Oc1ccc(Br)cc1C=O ZINC000010646233 211183640 /nfs/dbraw/zinc/18/36/40/211183640.db2.gz OHFXXKUDUGPNNQ-QMMMGPOBSA-N 0 0 343.177 1.875 10 0 EDAERN Cc1cc(C)c(NC(=O)[C@H](C)N2C[C@@H](O)C[C@@H]2CO)c(Cl)c1 ZINC000249295604 139190917 /nfs/dbraw/zinc/19/09/17/139190917.db2.gz MIMVYUGLFLJAMK-XQQFMLRXSA-N 0 0 326.824 1.711 10 0 EDAERN C[C@H](C(=O)Nc1ncccn1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249553851 139195502 /nfs/dbraw/zinc/19/55/02/139195502.db2.gz IZUJKZZDZBNQGN-MRVWCRGKSA-N 0 0 332.429 1.573 10 0 EDAERN CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2cnccn2)CC1 ZINC000095084225 218275922 /nfs/dbraw/zinc/27/59/22/218275922.db2.gz HZBVMECSSCHVIC-UHFFFAOYSA-N 0 0 341.433 1.897 10 0 EDAERN O=C1CCCc2nc(N3CCC[C@@H](N4CCNCC4=O)C3)ccc21 ZINC000333882482 284795491 /nfs/dbraw/zinc/79/54/91/284795491.db2.gz DXMINDNPZZCCBE-CYBMUJFWSA-N 0 0 328.416 1.001 10 0 EDAERN CN(C)C(=O)c1ccnc(I)c1OC1CC1 ZINC000095725330 218446761 /nfs/dbraw/zinc/44/67/61/218446761.db2.gz WDXYVYHHDBQLCA-UHFFFAOYSA-N 0 0 332.141 1.929 10 0 EDAERN Cc1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)nn1 ZINC000096064311 218558707 /nfs/dbraw/zinc/55/87/07/218558707.db2.gz MUWSHEUWCBRJLK-FMKPAKJESA-N 0 0 342.399 1.649 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CCS1 ZINC000181778208 207605569 /nfs/dbraw/zinc/60/55/69/207605569.db2.gz APBQQLIAUSNNKA-NSHDSACASA-N 0 0 330.413 1.979 10 0 EDAERN COC(=O)[C@@H]1CN(C(=O)c2cccc(N)c2Br)CCO1 ZINC000158993709 532983455 /nfs/dbraw/zinc/98/34/55/532983455.db2.gz INBJMHIVNGIURG-JTQLQIEISA-N 0 0 343.177 1.045 10 0 EDAERN COCCNc1ccccc1CNC(=O)NCC(=O)NCC1CC1 ZINC000183781538 533032432 /nfs/dbraw/zinc/03/24/32/533032432.db2.gz OJHWXDSUSVVKBN-UHFFFAOYSA-N 0 0 334.420 1.070 10 0 EDAERN CO[C@@]1(CNC(=O)c2ccc(N)c(Br)c2)CCOC1 ZINC000160411858 533034848 /nfs/dbraw/zinc/03/48/48/533034848.db2.gz HBGNKXZAYPZWFZ-CYBMUJFWSA-N 0 0 329.194 1.567 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000153414994 224101296 /nfs/dbraw/zinc/10/12/96/224101296.db2.gz GGHNANCDANUCHI-CQSZACIVSA-N 0 0 331.351 1.528 10 0 EDAERN CC(=O)NCCNC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000112431932 220327486 /nfs/dbraw/zinc/32/74/86/220327486.db2.gz SPNBZQQGSGZXLM-UHFFFAOYSA-N 0 0 345.403 1.104 10 0 EDAERN CNc1nc(Sc2nc(C)ns2)nc(N2CCOCC2)n1 ZINC000159082059 533086918 /nfs/dbraw/zinc/08/69/18/533086918.db2.gz HXBDDJAOJVSDAX-UHFFFAOYSA-N 0 0 325.423 1.061 10 0 EDAERN CCc1nnc2ccc(N[C@@H]3CCc4nc(C(C)C)nn4C3)nn21 ZINC000112557208 220350474 /nfs/dbraw/zinc/35/04/74/220350474.db2.gz HFISRHQJIBBMJO-LLVKDONJSA-N 0 0 326.408 1.829 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(Br)ccc1F ZINC000112656615 220365697 /nfs/dbraw/zinc/36/56/97/220365697.db2.gz SWMNGBXFEJQJJV-VIFPVBQESA-N 0 0 339.168 1.925 10 0 EDAERN CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112648405 220362823 /nfs/dbraw/zinc/36/28/23/220362823.db2.gz CSUOFDJQJDLCKQ-AWEZNQCLSA-N 0 0 327.388 1.115 10 0 EDAERN CCCc1c(C(=O)N[C@@H]2CCc3ncnn3C2)[nH]c(C)c1C(C)=O ZINC000112648706 220363427 /nfs/dbraw/zinc/36/34/27/220363427.db2.gz WNWBVBFAIAZQFL-GFCCVEGCSA-N 0 0 329.404 1.815 10 0 EDAERN CCCOc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000112749702 220396701 /nfs/dbraw/zinc/39/67/01/220396701.db2.gz FHWOODSCZIBNAK-ZDUSSCGKSA-N 0 0 330.392 1.276 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)nn1 ZINC000112810625 220403578 /nfs/dbraw/zinc/40/35/78/220403578.db2.gz VGHPXWPGXQVMDU-VIFPVBQESA-N 0 0 332.813 1.273 10 0 EDAERN COc1csc(-c2nn([C@H]3CCS(=O)(=O)C3)c(N)c2C)c1 ZINC000162093427 533162755 /nfs/dbraw/zinc/16/27/55/533162755.db2.gz NDXMCLYWCGYIHE-VIFPVBQESA-N 0 0 327.431 1.870 10 0 EDAERN O=C(Nc1ccc(-c2ncco2)cc1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000153895334 224173056 /nfs/dbraw/zinc/17/30/56/224173056.db2.gz PZJXJRSWAWLULH-ZFWWWQNUSA-N 0 0 343.383 1.947 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)CCC(C)C)C2)n1 ZINC000116899509 221008033 /nfs/dbraw/zinc/00/80/33/221008033.db2.gz DTUHGWYYEISKEY-HNNXBMFYSA-N 0 0 328.482 1.983 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2CCCN(C(=O)CC)C2)C[C@H]1C ZINC000117274637 221039891 /nfs/dbraw/zinc/03/98/91/221039891.db2.gz ODAZLYVJFYBHBL-CVEARBPZSA-N 0 0 339.480 1.204 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C)cc2F)C[C@@H]1C ZINC000117368729 221057770 /nfs/dbraw/zinc/05/77/70/221057770.db2.gz RWWRUSMBLVUAGT-AWEZNQCLSA-N 0 0 344.452 1.865 10 0 EDAERN CCOCCN1CCN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]1C ZINC000117277576 221042406 /nfs/dbraw/zinc/04/24/06/221042406.db2.gz ROPMTFFLMSMTKE-OAHLLOKOSA-N 0 0 341.496 1.498 10 0 EDAERN CC[C@@H]1CN(C(=O)COc2cccc(OC)c2)CCN1CCOC ZINC000117303308 221049391 /nfs/dbraw/zinc/04/93/91/221049391.db2.gz PHDUYWONKQUTBN-OAHLLOKOSA-N 0 0 336.432 1.643 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(F)cc2F)C[C@H]1C ZINC000117369404 221057544 /nfs/dbraw/zinc/05/75/44/221057544.db2.gz AAHAKURFXXMSFR-LLVKDONJSA-N 0 0 334.388 1.306 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000118132782 221128058 /nfs/dbraw/zinc/12/80/58/221128058.db2.gz ITHANUPRMPCJRA-UHFFFAOYSA-N 0 0 337.383 1.803 10 0 EDAERN O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118674944 221168185 /nfs/dbraw/zinc/16/81/85/221168185.db2.gz YYTLGSPDXSXHRG-CQSZACIVSA-N 0 0 340.383 1.533 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1N ZINC000119147648 221253341 /nfs/dbraw/zinc/25/33/41/221253341.db2.gz LQPYYBQNFHMMQE-SECBINFHSA-N 0 0 338.389 1.179 10 0 EDAERN COc1ccncc1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000119415324 221314469 /nfs/dbraw/zinc/31/44/69/221314469.db2.gz HDPZXBXRLJBRFE-UHFFFAOYSA-N 0 0 343.387 1.168 10 0 EDAERN Cc1nccc([C@@H]2C[C@H]3CCN(C(=O)c4cnccn4)C[C@@H]3O2)n1 ZINC000247973509 257672012 /nfs/dbraw/zinc/67/20/12/257672012.db2.gz UDPCGLJCXKUXLX-KCXAZCMYSA-N 0 0 325.372 1.567 10 0 EDAERN O=C(NC[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12)c1ccsc1 ZINC000247379172 257682908 /nfs/dbraw/zinc/68/29/08/257682908.db2.gz IVFBXXILJCVTJF-XBFCOCLRSA-N 0 0 348.403 1.558 10 0 EDAERN COc1ccc2c(c1)nc(CNC(=O)NC[C@H]1CCCC[C@H]1O)n2C ZINC000185992704 533308606 /nfs/dbraw/zinc/30/86/06/533308606.db2.gz IFQYABFMYNIHNK-MLGOLLRUSA-N 0 0 346.431 1.932 10 0 EDAERN COc1c(C)cc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1C ZINC000187925521 533398982 /nfs/dbraw/zinc/39/89/82/533398982.db2.gz VCLPXEZDMDKODC-UHFFFAOYSA-N 0 0 338.429 1.211 10 0 EDAERN COc1cccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1OC ZINC000173848526 533403321 /nfs/dbraw/zinc/40/33/21/533403321.db2.gz BXKTUMQFSFKSPO-ZFWWWQNUSA-N 0 0 334.416 1.497 10 0 EDAERN C[C@@H](CC(=O)NC[C@@H](O)CN1CCOCC1)c1ccc(F)cc1F ZINC000132919123 533435324 /nfs/dbraw/zinc/43/53/24/533435324.db2.gz HINZOHXUHNRVOS-GXTWGEPZSA-N 0 0 342.386 1.268 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(N)c(Br)c1)[C@@H]1CCOC1 ZINC000165937318 533482589 /nfs/dbraw/zinc/48/25/89/533482589.db2.gz UEFQRVPEQXEVPM-RKDXNWHRSA-N 0 0 349.250 1.735 10 0 EDAERN Cc1nc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)nn1-c1nc[nH]n1 ZINC000329230427 140702376 /nfs/dbraw/zinc/70/23/76/140702376.db2.gz DLIUOTUBCORHQD-SSDOTTSWSA-N 0 0 344.404 1.527 10 0 EDAERN O=C(NCc1ccc(-n2cncn2)cc1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000333079559 141260154 /nfs/dbraw/zinc/26/01/54/141260154.db2.gz LUVWFBYTOUVCNI-CVEARBPZSA-N 0 0 341.415 1.835 10 0 EDAERN O=C([C@@H]1CC[C@H](Nc2cncc(-n3cccn3)n2)C1)N1CCCC1 ZINC000333289535 141293565 /nfs/dbraw/zinc/29/35/65/141293565.db2.gz RGKBNRIZZNOBPX-KGLIPLIRSA-N 0 0 326.404 1.865 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)[C@H]2C[C@]23CCOc2ccccc23)CC1 ZINC000333396449 141311333 /nfs/dbraw/zinc/31/13/33/141311333.db2.gz AVKSYBRRXFGNNE-OGWOLHLISA-N 0 0 330.428 1.252 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCn3cnnc3[C@H]2C)cn1 ZINC000333733850 141369122 /nfs/dbraw/zinc/36/91/22/141369122.db2.gz QDHHZNPYHNRADB-KWCYVHTRSA-N 0 0 345.407 1.111 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCS(=O)(=O)CC)C12CCCC2 ZINC000151413474 286319784 /nfs/dbraw/zinc/31/97/84/286319784.db2.gz WWQMJDLGBLURMN-UONOGXRCSA-N 0 0 346.493 1.800 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)CN(C)C(=O)COC)C12CCCC2 ZINC000135586925 286316837 /nfs/dbraw/zinc/31/68/37/286316837.db2.gz MKFIIOOQNDKMOG-UONOGXRCSA-N 0 0 326.437 1.287 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)CNC(=O)CC(C)(C)C)C12CCOCC2 ZINC000185078409 286526252 /nfs/dbraw/zinc/52/62/52/286526252.db2.gz JYRTWBNZTPLZNS-KBPBESRZSA-N 0 0 340.464 1.629 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173483990 286685031 /nfs/dbraw/zinc/68/50/31/286685031.db2.gz QVTFNWPSKKXCEO-ZDUSSCGKSA-N 0 0 343.449 1.764 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2cccc(F)c2)C1 ZINC000075109908 287275164 /nfs/dbraw/zinc/27/51/64/287275164.db2.gz MENZZWOOVJPMHI-SWLSCSKDSA-N 0 0 337.395 1.903 10 0 EDAERN O=C(Nc1ccccc1-n1cccn1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000078990260 287296637 /nfs/dbraw/zinc/29/66/37/287296637.db2.gz MPTVRJXBRBOHSB-KGLIPLIRSA-N 0 0 342.399 1.478 10 0 EDAERN C[S@](=O)CCn1nnnc1-c1cc(N)ccc1Br ZINC000159026442 225130285 /nfs/dbraw/zinc/13/02/85/225130285.db2.gz DEWIAKMZCADFSP-GOSISDBHSA-N 0 0 330.211 1.063 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3cncc(C)c3)CCO2)n1 ZINC000119659008 287354969 /nfs/dbraw/zinc/35/49/69/287354969.db2.gz UMCCBFRBAGERFI-QGZVFWFLSA-N 0 0 343.431 1.814 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3cncc(C)c3)CCO2)n1 ZINC000119658891 287354984 /nfs/dbraw/zinc/35/49/84/287354984.db2.gz UMCCBFRBAGERFI-KRWDZBQOSA-N 0 0 343.431 1.814 10 0 EDAERN C[S@](=O)CCn1c(=O)[nH]c(Cl)c(-c2ccc(Cl)cc2)c1=O ZINC000159678128 225259693 /nfs/dbraw/zinc/25/96/93/225259693.db2.gz JNXUOTXBDBLDSW-OAQYLSRUSA-N 0 0 347.223 1.889 10 0 EDAERN C[S@](=O)CCn1c(=O)[nH]c(Cl)c(-c2ccc(F)cc2)c1=O ZINC000159677557 225259814 /nfs/dbraw/zinc/25/98/14/225259814.db2.gz YFIXSVNQTQEPND-OAQYLSRUSA-N 0 0 330.768 1.375 10 0 EDAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCSC3)C1 ZINC000161755039 225686518 /nfs/dbraw/zinc/68/65/18/225686518.db2.gz JQQPZMNAGPBAIV-JTQLQIEISA-N 0 0 346.499 1.431 10 0 EDAERN Cc1c(CO)cc(Cl)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000167023765 226176460 /nfs/dbraw/zinc/17/64/60/226176460.db2.gz IXGWEFSTDNAUQN-GHMZBOCLSA-N 0 0 333.837 1.844 10 0 EDAERN CS(=O)(=O)CC[C@H](N)C(=O)Cc1cc(Br)cs1 ZINC000167123630 226180842 /nfs/dbraw/zinc/18/08/42/226180842.db2.gz RDPKFEOFPVUYJJ-VIFPVBQESA-N 0 0 340.264 1.384 10 0 EDAERN Cc1ccc(S(=O)(=O)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(N)c1 ZINC000165332333 226121367 /nfs/dbraw/zinc/12/13/67/226121367.db2.gz TXVYSXSPQKUWCN-NWDGAFQWSA-N 0 0 331.459 1.707 10 0 EDAERN Cc1ccc(N)c(S(=O)(=O)[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000165864400 226138176 /nfs/dbraw/zinc/13/81/76/226138176.db2.gz ZJRQGTUMSVLTGT-NEPJUHHUSA-N 0 0 331.459 1.707 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(C(N)=S)c(Cl)c1)[C@H]1CCOC1 ZINC000166233645 226152990 /nfs/dbraw/zinc/15/29/90/226152990.db2.gz DGWIRGBCHHHEIB-IUCAKERBSA-N 0 0 348.877 1.678 10 0 EDAERN [NH3+][C@H]1CCCC[C@H]1Oc1nc[n-]c(=O)c1I ZINC000166452373 226158347 /nfs/dbraw/zinc/15/83/47/226158347.db2.gz HWUQSCOGGWYMTQ-NKWVEPMBSA-N 0 0 335.145 1.023 10 0 EDAERN [NH3+][C@@]1(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)CCOC1 ZINC000166671698 226165886 /nfs/dbraw/zinc/16/58/86/226165886.db2.gz GRXWLWAXOYEDBQ-LBPRGKRZSA-N 0 0 329.150 1.204 10 0 EDAERN O=C1CNC(=O)C2(CCCC2)N1Cc1cncc(Br)c1 ZINC000168904246 226225907 /nfs/dbraw/zinc/22/59/07/226225907.db2.gz LHYRCTRNEYQFBS-UHFFFAOYSA-N 0 0 338.205 1.615 10 0 EDAERN Cc1cc(Br)c(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1N ZINC000169112275 226232232 /nfs/dbraw/zinc/23/22/32/226232232.db2.gz MVPLMVABKQHLJI-MRVPVSSYSA-N 0 0 347.234 1.713 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN1Cc1ccccc1F ZINC000169800348 226587017 /nfs/dbraw/zinc/58/70/17/226587017.db2.gz HTDPBIQQSWSHQP-DZGCQCFKSA-N 0 0 340.420 1.093 10 0 EDAERN O=C(NCCNC(=O)c1cccnc1)NC1C2CC3CC(C2)CC1C3 ZINC000127287774 287436438 /nfs/dbraw/zinc/43/64/38/287436438.db2.gz ZLEQSCUZAQFTIO-UHFFFAOYSA-N 0 0 342.443 1.935 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)C1CC1 ZINC000171337440 227024821 /nfs/dbraw/zinc/02/48/21/227024821.db2.gz DZUNXCZTBAEOOX-ZETCQYMHSA-N 0 0 346.355 1.222 10 0 EDAERN COC(=O)c1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1F ZINC000121597222 221884017 /nfs/dbraw/zinc/88/40/17/221884017.db2.gz SRPOZTBGYWHYIA-LBPRGKRZSA-N 0 0 333.323 1.860 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1nnc2n1CCCC2 ZINC000121722794 221915128 /nfs/dbraw/zinc/91/51/28/221915128.db2.gz MCIYOEFUPPUIJO-NSHDSACASA-N 0 0 348.428 1.589 10 0 EDAERN COc1cc(OC)c(OC)cc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000122249814 222045905 /nfs/dbraw/zinc/04/59/05/222045905.db2.gz QXKNIOFCFZSOPG-OAHLLOKOSA-N 0 0 347.415 1.810 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000122859509 222173346 /nfs/dbraw/zinc/17/33/46/222173346.db2.gz FCOJWZOGXFYWMG-MRXNPFEDSA-N 0 0 342.399 1.902 10 0 EDAERN COCCN1CCN(C(=O)CCCc2nc(C3CC3)no2)C[C@@H]1C ZINC000123185935 222230989 /nfs/dbraw/zinc/23/09/89/222230989.db2.gz PCXIHGSGGRDPLK-ZDUSSCGKSA-N 0 0 336.436 1.449 10 0 EDAERN CC(C)[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)N1CCCC1=O ZINC000123342134 222259997 /nfs/dbraw/zinc/25/99/97/222259997.db2.gz XAJZENCVAQOGLN-WBVHZDCISA-N 0 0 331.416 1.708 10 0 EDAERN C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000123634957 222308089 /nfs/dbraw/zinc/30/80/89/222308089.db2.gz SCPUVTJOLOVHNE-BXUZGUMPSA-N 0 0 345.378 1.570 10 0 EDAERN COCc1cc(CNC(=O)NC[C@@H]2CN(C)CCO2)ccc1F ZINC000171659774 227201908 /nfs/dbraw/zinc/20/19/08/227201908.db2.gz RPSZEXXCGSZFDY-CQSZACIVSA-N 0 0 325.384 1.102 10 0 EDAERN Cn1cc(COC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cn1 ZINC000188525210 272957716 /nfs/dbraw/zinc/95/77/16/272957716.db2.gz OULFMSCDEDUOBR-NWDGAFQWSA-N 0 0 327.356 1.811 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)CCOC2CCOCC2)C1 ZINC000084540069 267410124 /nfs/dbraw/zinc/41/01/24/267410124.db2.gz CCYRIOKZJRBHAF-AWEZNQCLSA-N 0 0 326.437 1.479 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCCn1cccn1 ZINC000174954613 267550399 /nfs/dbraw/zinc/55/03/99/267550399.db2.gz SXXZSGQMNCYKBR-ZDUSSCGKSA-N 0 0 337.424 1.582 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000193762993 267846656 /nfs/dbraw/zinc/84/66/56/267846656.db2.gz ZNRLXUGLZOYBFF-UHFFFAOYSA-N 0 0 325.796 1.849 10 0 EDAERN CCc1nnc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1C ZINC000195056294 267880143 /nfs/dbraw/zinc/88/01/43/267880143.db2.gz RVCJYVMHKMRFOE-LBPRGKRZSA-N 0 0 336.461 1.974 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CC[C@@]3(CCOC3)C1)CC2 ZINC000181742145 272944487 /nfs/dbraw/zinc/94/44/87/272944487.db2.gz MNVZXZHNFUKCEM-SUMWQHHRSA-N 0 0 333.436 1.538 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)CCn2c(C)csc2=O)C1 ZINC000157093665 287679655 /nfs/dbraw/zinc/67/96/55/287679655.db2.gz BQWIEYIUYZPJAO-ZDUSSCGKSA-N 0 0 339.461 1.516 10 0 EDAERN O=C1[C@@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1 ZINC000173951023 275028249 /nfs/dbraw/zinc/02/82/49/275028249.db2.gz NELADKJSQHAFAY-IRXDYDNUSA-N 0 0 349.862 1.852 10 0 EDAERN CO[C@@H]1CN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC[C@H]1C ZINC000252061665 287821631 /nfs/dbraw/zinc/82/16/31/287821631.db2.gz ZZXVCVKFVCBYJR-HZSPNIEDSA-N 0 0 335.452 1.783 10 0 EDAERN CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092421781 275922622 /nfs/dbraw/zinc/92/26/22/275922622.db2.gz XPNAOMVCQPUCHB-WMLDXEAASA-N 0 0 347.459 1.248 10 0 EDAERN CCN(CC)C(=O)[C@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820528 276092200 /nfs/dbraw/zinc/09/22/00/276092200.db2.gz YGUSNXGEMDNFDQ-FUHWJXTLSA-N 0 0 333.476 1.595 10 0 EDAERN COC(=O)[C@@H](c1ccccc1F)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000252465307 277080641 /nfs/dbraw/zinc/08/06/41/277080641.db2.gz PWGGSXZNNJVIPZ-ZIAGYGMSSA-N 0 0 334.351 1.540 10 0 EDAERN CC1(C)CN(CCNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CCO1 ZINC000177876701 278332664 /nfs/dbraw/zinc/33/26/64/278332664.db2.gz WBHVVLCWCYAQNA-CRAIPNDOSA-N 0 0 339.480 1.434 10 0 EDAERN CC(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000328790339 279256817 /nfs/dbraw/zinc/25/68/17/279256817.db2.gz YSDGWODQSIQKCT-JKSUJKDBSA-N 0 0 349.479 1.349 10 0 EDAERN CC[C@H](O)CN1CCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000118857315 280999663 /nfs/dbraw/zinc/99/96/63/280999663.db2.gz HSFYCUPHWZZWDZ-ROUUACIJSA-N 0 0 349.450 1.534 10 0 EDAERN CC1(C)CCC[C@@H](CN2C(=O)[C@H]3CS(=O)(=O)CCN3C2=O)C1 ZINC000333538484 281008125 /nfs/dbraw/zinc/00/81/25/281008125.db2.gz NLFDFEMEAVHRKF-VXGBXAGGSA-N 0 0 328.434 1.264 10 0 EDAERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000248598257 288580339 /nfs/dbraw/zinc/58/03/39/288580339.db2.gz IPGFABUMGGDXBG-SNPRPXQTSA-N 0 0 326.404 1.781 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC2(CO)CCC2)[C@H]1c1ccc(F)cc1 ZINC000183193251 289820418 /nfs/dbraw/zinc/82/04/18/289820418.db2.gz ZVEOXDYOXHQZEE-GDBMZVCRSA-N 0 0 334.391 1.624 10 0 EDAERN CN1[C@@H]2CC[C@H]1[C@@H](OC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)C2 ZINC000100188521 290317103 /nfs/dbraw/zinc/31/71/03/290317103.db2.gz PMDYMFNHVLPGQE-WCVJEAGWSA-N 0 0 337.441 1.593 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)cn1C ZINC000081580439 293521536 /nfs/dbraw/zinc/52/15/36/293521536.db2.gz OPFNQEZPVXFOIH-SNVBAGLBSA-N 0 0 338.209 1.952 10 0 EDAERN NS(=O)(=O)c1cc(F)cc(C(=O)N2CCC2)c1Br ZINC000078988813 295287202 /nfs/dbraw/zinc/28/72/02/295287202.db2.gz SKIPPSWUNZPNIE-UHFFFAOYSA-N 0 0 337.170 1.082 10 0 EDAERN Cc1[nH]c2c(cccc2C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1C ZINC000377762250 447342565 /nfs/dbraw/zinc/34/25/65/447342565.db2.gz PGNQWEBCTURPOW-QGZVFWFLSA-N 0 0 326.356 1.209 10 0 EDAERN CCn1cc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)cn1 ZINC000548673708 306134629 /nfs/dbraw/zinc/13/46/29/306134629.db2.gz VZCKXSSQNZAJRK-MRXNPFEDSA-N 0 0 333.461 1.905 10 0 EDAERN CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000015069707 441194795 /nfs/dbraw/zinc/19/47/95/441194795.db2.gz WDLDGFQWXPTWNR-QGZVFWFLSA-N 0 0 335.452 1.001 10 0 EDAERN CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](OC(C)=O)C(=O)NC1CC1 ZINC000071973238 441202133 /nfs/dbraw/zinc/20/21/33/441202133.db2.gz UMBJIHSHCLDUFA-OLZOCXBDSA-N 0 0 328.409 1.890 10 0 EDAERN C[C@@H](C(=O)NCCOc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000015554479 441204934 /nfs/dbraw/zinc/20/49/34/441204934.db2.gz SMANEWKIAUDRJQ-ZDUSSCGKSA-N 0 0 338.363 1.866 10 0 EDAERN COc1ccc(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000017852166 441245011 /nfs/dbraw/zinc/24/50/11/441245011.db2.gz KPWBZRXITIVAIH-GFCCVEGCSA-N 0 0 348.424 1.763 10 0 EDAERN CC(=O)Nc1nc(CN2CCCN(c3ccc(C)nn3)CC2)cs1 ZINC000105800585 441273126 /nfs/dbraw/zinc/27/31/26/441273126.db2.gz PMLOMVCJQVNULR-UHFFFAOYSA-N 0 0 346.460 1.912 10 0 EDAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)N[C@@H]1CCCC[C@@H]1CO ZINC000081475696 441275504 /nfs/dbraw/zinc/27/55/04/441275504.db2.gz QKRJHWGMKYWYRK-CZUORRHYSA-N 0 0 349.431 1.735 10 0 EDAERN COc1cccc(OCC(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000105811208 441276687 /nfs/dbraw/zinc/27/66/87/441276687.db2.gz CKSZPDLLGHZCQT-UHFFFAOYSA-N 0 0 342.399 1.603 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865832 441295928 /nfs/dbraw/zinc/29/59/28/441295928.db2.gz HHNVDUFNCOGOII-RHSMWYFYSA-N 0 0 349.523 1.848 10 0 EDAERN COCCN1CCN(CC(=O)N(C)Cc2ccccc2F)C[C@@H]1C ZINC000105832610 441285407 /nfs/dbraw/zinc/28/54/07/441285407.db2.gz UEGMYMIAULCOGT-HNNXBMFYSA-N 0 0 337.439 1.437 10 0 EDAERN COCCN1CCN(CC(=O)N[C@@H](C)c2cccs2)C[C@@H]1C ZINC000105832343 441286365 /nfs/dbraw/zinc/28/63/65/441286365.db2.gz DEHQFYYGOTZYBC-KBPBESRZSA-N 0 0 325.478 1.578 10 0 EDAERN O=C(Nc1cccnc1N1CCOCC1)N[C@@H]1CCCC[C@H]1CO ZINC000081610123 441296303 /nfs/dbraw/zinc/29/63/03/441296303.db2.gz QCHUTANEKFXGBM-UONOGXRCSA-N 0 0 334.420 1.591 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000105865825 441296446 /nfs/dbraw/zinc/29/64/46/441296446.db2.gz OGUJSGMWMATXQZ-KRWDZBQOSA-N 0 0 349.523 1.705 10 0 EDAERN CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2cccs2)cc1 ZINC000048881771 441335596 /nfs/dbraw/zinc/33/55/96/441335596.db2.gz VBQCKXNCELEHJP-JTQLQIEISA-N 0 0 331.397 1.924 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(C(=O)N(C)CC)c2)CC1 ZINC000106393519 441337265 /nfs/dbraw/zinc/33/72/65/441337265.db2.gz TZXSMTOJCUEDOZ-KRWDZBQOSA-N 0 0 347.459 1.307 10 0 EDAERN C[NH+](C)C[C@H]1CN(CC(=O)N2CCSc3ccccc32)CCO1 ZINC000105925857 441317377 /nfs/dbraw/zinc/31/73/77/441317377.db2.gz PKSDPNJTBNAXHN-AWEZNQCLSA-N 0 0 335.473 1.388 10 0 EDAERN COc1ccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)cc1O ZINC000083711616 441368778 /nfs/dbraw/zinc/36/87/78/441368778.db2.gz ICXKCKFBHVJNHA-LBPRGKRZSA-N 0 0 331.376 1.635 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1ccccc1F ZINC000083741710 441374161 /nfs/dbraw/zinc/37/41/61/441374161.db2.gz XKSXUDPBPFRAAC-KBPBESRZSA-N 0 0 333.367 1.593 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000083754922 441375123 /nfs/dbraw/zinc/37/51/23/441375123.db2.gz PEPDCBJTZZUMGG-LBPRGKRZSA-N 0 0 333.779 1.830 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000027565904 441406950 /nfs/dbraw/zinc/40/69/50/441406950.db2.gz QPCBDGDFNBEFFL-CYBMUJFWSA-N 0 0 339.823 1.840 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OC)C(C)C)C1 ZINC000108278583 441440883 /nfs/dbraw/zinc/44/08/83/441440883.db2.gz DHQPOWFXJNFBIH-HIFRSBDPSA-N 0 0 336.436 1.990 10 0 EDAERN COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CNC(=O)C1 ZINC000107158094 441401835 /nfs/dbraw/zinc/40/18/35/441401835.db2.gz IXXWAIVXXDBEIU-LLVKDONJSA-N 0 0 328.771 1.590 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(-n2cccn2)ccn1 ZINC000087562947 441493652 /nfs/dbraw/zinc/49/36/52/441493652.db2.gz PJDIEBSMIQVKQQ-ZDUSSCGKSA-N 0 0 337.387 1.686 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000088196494 441494308 /nfs/dbraw/zinc/49/43/08/441494308.db2.gz KSBLNYLEKKPWJC-HIFRSBDPSA-N 0 0 339.399 1.985 10 0 EDAERN C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)c1ccc(F)c(F)c1 ZINC000108442675 441453743 /nfs/dbraw/zinc/45/37/43/441453743.db2.gz AYEHFOMOCIXOJY-VIFPVBQESA-N 0 0 340.330 1.267 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1F ZINC000088787204 441523021 /nfs/dbraw/zinc/52/30/21/441523021.db2.gz XRELMDKZTWBNFU-LLVKDONJSA-N 0 0 342.371 1.932 10 0 EDAERN COc1ccccc1CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111802022 441540894 /nfs/dbraw/zinc/54/08/94/441540894.db2.gz BPXQZZWRBFXNLY-MRXNPFEDSA-N 0 0 344.415 1.545 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1OC ZINC000032465160 441557852 /nfs/dbraw/zinc/55/78/52/441557852.db2.gz FWCOFNQNUIZSGT-QSYFUGGGSA-N 0 0 332.400 1.796 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)NCCOc1ccc(C)cc1 ZINC000032902712 441577347 /nfs/dbraw/zinc/57/73/47/441577347.db2.gz ZELBOORSWPBUAP-UHFFFAOYSA-N 0 0 328.415 1.823 10 0 EDAERN Cc1ccc(C2CC(=O)N(CC(=O)N3CCOCC3)C(=O)C2)cc1 ZINC000032985364 441582621 /nfs/dbraw/zinc/58/26/21/441582621.db2.gz LYAZBTROGPFTLY-UHFFFAOYSA-N 0 0 330.384 1.086 10 0 EDAERN C[C@H](NC(=O)[C@H]1COc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000113141639 441584272 /nfs/dbraw/zinc/58/42/72/441584272.db2.gz AEIRSJKHGIGQKX-NHYWBVRUSA-N 0 0 346.408 1.687 10 0 EDAERN COc1ccccc1[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccn1 ZINC000089848167 441585795 /nfs/dbraw/zinc/58/57/95/441585795.db2.gz OMDRWVHARWHXMJ-SJCJKPOMSA-N 0 0 325.368 1.432 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000076098621 441597268 /nfs/dbraw/zinc/59/72/68/441597268.db2.gz YLQHXWSDCMHTCA-XHDPSFHLSA-N 0 0 329.400 1.822 10 0 EDAERN CCC[C@@H](C)CS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000113291781 441598641 /nfs/dbraw/zinc/59/86/41/441598641.db2.gz YGXVHOCVHJSUHD-CHWSQXEVSA-N 0 0 344.481 1.823 10 0 EDAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000113419145 441607910 /nfs/dbraw/zinc/60/79/10/441607910.db2.gz WFJKAEGCBJQYTE-LSDHHAIUSA-N 0 0 338.354 1.865 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N(CCc2cccc(F)c2)C2CC2)C1 ZINC000114026978 441630713 /nfs/dbraw/zinc/63/07/13/441630713.db2.gz QYEGHPMUPDYDHQ-KRWDZBQOSA-N 0 0 335.423 1.873 10 0 EDAERN CC(=O)Nc1ccc(OCc2cc(=O)n3nc(C)sc3n2)cc1 ZINC000041076604 441631566 /nfs/dbraw/zinc/63/15/66/441631566.db2.gz GMDDWEXAPNQHEI-UHFFFAOYSA-N 0 0 330.369 1.997 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1F)N1CCOCC1 ZINC000041602078 441662468 /nfs/dbraw/zinc/66/24/68/441662468.db2.gz SHHMOKIVDKPVRU-SNVBAGLBSA-N 0 0 343.786 1.255 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)N1CCOCC1 ZINC000041601310 441662644 /nfs/dbraw/zinc/66/26/44/441662644.db2.gz VGPMXWSBRQNJJA-SNVBAGLBSA-N 0 0 343.786 1.255 10 0 EDAERN CCC[C@H](C(=O)OCC)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000114802893 441685245 /nfs/dbraw/zinc/68/52/45/441685245.db2.gz MISVPOAQSUPODQ-QGZVFWFLSA-N 0 0 336.480 1.886 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)N(C)CCCOc1ccccc1 ZINC000076800869 441686111 /nfs/dbraw/zinc/68/61/11/441686111.db2.gz XHCBDHVCCZEJFL-KRWDZBQOSA-N 0 0 348.443 1.941 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(OC)cc1OC)CC2 ZINC000114899505 441694732 /nfs/dbraw/zinc/69/47/32/441694732.db2.gz ZVULZVYMROBTJW-LLVKDONJSA-N 0 0 345.403 1.994 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(C)c(C(N)=O)c1)CC2 ZINC000114906028 441695779 /nfs/dbraw/zinc/69/57/79/441695779.db2.gz LZLCQVFJZIVCTD-GFCCVEGCSA-N 0 0 342.403 1.384 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccccc2)ncn1 ZINC000173290207 441703914 /nfs/dbraw/zinc/70/39/14/441703914.db2.gz DMIMKDIJVFPVFP-HNNXBMFYSA-N 0 0 340.431 1.987 10 0 EDAERN O=C(NCCC1CC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000173305055 441707915 /nfs/dbraw/zinc/70/79/15/441707915.db2.gz VWAMHEMTVYKFQP-QGZVFWFLSA-N 0 0 347.459 1.554 10 0 EDAERN CCOCCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173314248 441711180 /nfs/dbraw/zinc/71/11/80/441711180.db2.gz QUGYVAOCQPWVHN-UHFFFAOYSA-N 0 0 325.413 1.022 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCn2cc(C)cn2)ncn1 ZINC000173427146 441747327 /nfs/dbraw/zinc/74/73/27/441747327.db2.gz WSURIYASAWJVSP-CQSZACIVSA-N 0 0 343.435 1.199 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccccc2F)ncn1 ZINC000173443600 441751677 /nfs/dbraw/zinc/75/16/77/441751677.db2.gz RVRKLXJMZLUYDT-AWEZNQCLSA-N 0 0 343.406 1.985 10 0 EDAERN COCCN1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C[C@@H]1C ZINC000115542520 441754817 /nfs/dbraw/zinc/75/48/17/441754817.db2.gz OYOGSWZYKVCXAZ-MAUKXSAKSA-N 0 0 349.450 1.974 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](O)c3ccccc3)C2=O)n(C)n1 ZINC000173450322 441755161 /nfs/dbraw/zinc/75/51/61/441755161.db2.gz AFSQBWNCNUSRBG-ZBFHGGJFSA-N 0 0 342.399 1.074 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)C1 ZINC000121682198 441758998 /nfs/dbraw/zinc/75/89/98/441758998.db2.gz MLSFFGSVVAEPRJ-DLBZAZTESA-N 0 0 349.475 1.419 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000042647805 441763889 /nfs/dbraw/zinc/76/38/89/441763889.db2.gz BSLAWKDJCDMKHA-AWEZNQCLSA-N 0 0 343.383 1.259 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2cccnc2)CC1 ZINC000115633771 441765254 /nfs/dbraw/zinc/76/52/54/441765254.db2.gz DSTFXJGTTXWRFW-UHFFFAOYSA-N 0 0 328.420 1.782 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)NC[C@H]3CN(C)CCO3)C2)n1 ZINC000173492865 441768060 /nfs/dbraw/zinc/76/80/60/441768060.db2.gz FUTJOPMJVVCDNP-KBPBESRZSA-N 0 0 338.477 1.671 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000077151305 441724017 /nfs/dbraw/zinc/72/40/17/441724017.db2.gz FBDABZUKZMYUHJ-BBRMVZONSA-N 0 0 327.384 1.513 10 0 EDAERN Cc1cc(C[C@@H](C)NC(=O)N2CCC(Nc3cccnn3)CC2)[nH]n1 ZINC000158330727 441725300 /nfs/dbraw/zinc/72/53/00/441725300.db2.gz DROQBKIWTCNFSK-GFCCVEGCSA-N 0 0 343.435 1.725 10 0 EDAERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000173371637 441727118 /nfs/dbraw/zinc/72/71/18/441727118.db2.gz SVNQZLNSQDDKOQ-OAHLLOKOSA-N 0 0 339.399 1.300 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116370702 441815594 /nfs/dbraw/zinc/81/55/94/441815594.db2.gz LAGZJOXOWJEHOS-ZDUSSCGKSA-N 0 0 335.429 1.915 10 0 EDAERN COc1cccc(C(C)(C)CNC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000137720821 441777399 /nfs/dbraw/zinc/77/73/99/441777399.db2.gz GBINNAKWROXPNM-OAHLLOKOSA-N 0 0 349.475 1.993 10 0 EDAERN CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1c(F)cccc1F ZINC000121824886 441788646 /nfs/dbraw/zinc/78/86/46/441788646.db2.gz HPYVGZJDCDAKFW-LLVKDONJSA-N 0 0 327.375 1.996 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CCNC(=O)c3ccsc3)C2)cn1 ZINC000116114250 441793952 /nfs/dbraw/zinc/79/39/52/441793952.db2.gz PAUIZYBMFBSBBW-LBPRGKRZSA-N 0 0 332.429 1.618 10 0 EDAERN CCOc1ccc(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1 ZINC000173566965 441794558 /nfs/dbraw/zinc/79/45/58/441794558.db2.gz PGKVSXXPYQAICJ-CQSZACIVSA-N 0 0 330.388 1.980 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)CNC(=O)c3ccccn3)C2)n1 ZINC000173587280 441800038 /nfs/dbraw/zinc/80/00/38/441800038.db2.gz LSHFOPSNQHTGBW-CYBMUJFWSA-N 0 0 344.440 1.983 10 0 EDAERN CCS(=O)(=O)NCCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116429441 441821215 /nfs/dbraw/zinc/82/12/15/441821215.db2.gz POLKLQOSMVGKDJ-LBPRGKRZSA-N 0 0 329.422 1.456 10 0 EDAERN COc1ccc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000116316555 441810408 /nfs/dbraw/zinc/81/04/08/441810408.db2.gz DGCXWTZAIDLDCN-ZDUSSCGKSA-N 0 0 344.415 1.865 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000117277654 441868003 /nfs/dbraw/zinc/86/80/03/441868003.db2.gz GKUIRWKAYFKSGY-LFVRLGFBSA-N 0 0 338.473 1.607 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000077712018 441836349 /nfs/dbraw/zinc/83/63/49/441836349.db2.gz PHACAXLFNATONI-CQSZACIVSA-N 0 0 333.432 1.887 10 0 EDAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@@H]1Cn1ccnc1 ZINC000122146041 441837461 /nfs/dbraw/zinc/83/74/61/441837461.db2.gz YCBHXKVDLVTLHE-MRXNPFEDSA-N 0 0 336.399 1.833 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)cc2)C[C@@H]1CC ZINC000116771796 441842149 /nfs/dbraw/zinc/84/21/49/441842149.db2.gz RXDCKZOEMLOFTL-INIZCTEOSA-N 0 0 333.432 1.358 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NC[C@H]3CCCOC3)CC2)no1 ZINC000174189860 441901320 /nfs/dbraw/zinc/90/13/20/441901320.db2.gz IEUVDTNUNIIYIB-CQSZACIVSA-N 0 0 337.424 1.022 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cc(-c3cccs3)on2)C[C@@H]1C ZINC000174337227 441913275 /nfs/dbraw/zinc/91/32/75/441913275.db2.gz BXVNNBGOMKBLFE-NWDGAFQWSA-N 0 0 335.429 1.930 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NCc1ccc(Cl)cc1 ZINC000173990947 441875142 /nfs/dbraw/zinc/87/51/42/441875142.db2.gz HMTDLKNZORDYIA-MRXNPFEDSA-N 0 0 337.851 1.363 10 0 EDAERN Cc1ncc([C@H]2OCCc3sccc32)n1S(=O)(=O)N(C)C ZINC000117847893 441879650 /nfs/dbraw/zinc/87/96/50/441879650.db2.gz WXVOJUGDSMHYNX-ZDUSSCGKSA-N 0 0 327.431 1.570 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@H]2CCOC2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC000145266512 441888508 /nfs/dbraw/zinc/88/85/08/441888508.db2.gz IGNOXKOLEZVMMV-IPYPFGDCSA-N 0 0 343.431 1.668 10 0 EDAERN C[C@H](CCO)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000123620538 441893088 /nfs/dbraw/zinc/89/30/88/441893088.db2.gz ZCHGTEDMMOINET-ABAIWWIYSA-N 0 0 347.440 1.570 10 0 EDAERN CC(C)[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)N1CCCC1=O ZINC000124595270 441938349 /nfs/dbraw/zinc/93/83/49/441938349.db2.gz ZYBOKHGOMZMAGT-KRWDZBQOSA-N 0 0 332.448 1.773 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000124741568 441948075 /nfs/dbraw/zinc/94/80/75/441948075.db2.gz KZDZOOUBXXYKET-CQSZACIVSA-N 0 0 342.403 1.263 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccn(CCOC)n2)C[C@@H]1C ZINC000150817524 441955731 /nfs/dbraw/zinc/95/57/31/441955731.db2.gz SECYSPFQLLYUKD-AWEZNQCLSA-N 0 0 339.440 1.104 10 0 EDAERN CCc1cc(=O)[nH]c(CN(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000119998789 441991312 /nfs/dbraw/zinc/99/13/12/441991312.db2.gz SLMRHXRMDLBNAM-AWEZNQCLSA-N 0 0 328.420 1.635 10 0 EDAERN NC(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2CO)nn1-c1ccccc1 ZINC000151029690 441993645 /nfs/dbraw/zinc/99/36/45/441993645.db2.gz GMGOLYMZINFKEV-JSGCOSHPSA-N 0 0 342.399 1.252 10 0 EDAERN O=S(=O)(N[C@H]1C[C@H]2CC[C@@H]1O2)c1c(Cl)nc2ccccn21 ZINC000151050376 441996672 /nfs/dbraw/zinc/99/66/72/441996672.db2.gz GFNFUSYWLSATHN-UTLUCORTSA-N 0 0 327.793 1.586 10 0 EDAERN C[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)Oc1ccccc1F ZINC000175116643 442005896 /nfs/dbraw/zinc/00/58/96/442005896.db2.gz AISIDMBZUQIMIO-VXGBXAGGSA-N 0 0 333.367 1.499 10 0 EDAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCCC[C@@H]1CO ZINC000151134270 442011659 /nfs/dbraw/zinc/01/16/59/442011659.db2.gz OLBMZNLXTLDJBE-HIFRSBDPSA-N 0 0 340.445 1.022 10 0 EDAERN C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCOC2(CCCC2)C1 ZINC000151151621 442014926 /nfs/dbraw/zinc/01/49/26/442014926.db2.gz PJHJUEGMIXRCEB-OAHLLOKOSA-N 0 0 346.427 1.742 10 0 EDAERN CCC[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)OC(C)(C)C ZINC000161610657 442016520 /nfs/dbraw/zinc/01/65/20/442016520.db2.gz FFHQMJFEWXNHQD-KGLIPLIRSA-N 0 0 326.437 1.872 10 0 EDAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000120188291 442025880 /nfs/dbraw/zinc/02/58/80/442025880.db2.gz VHXIHHLAPZZZGQ-JOCHJYFZSA-N 0 0 326.466 1.846 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)C[C@H](C)c1ccccc1)CC2 ZINC000151244803 442030651 /nfs/dbraw/zinc/03/06/51/442030651.db2.gz MQELXZJRHDHMBS-ZFWWWQNUSA-N 0 0 348.472 1.878 10 0 EDAERN CCc1cc(=O)n2nc(N(C)CCCn3ccnc3C)sc2n1 ZINC000120216482 442030767 /nfs/dbraw/zinc/03/07/67/442030767.db2.gz UBSKAFTXNODZCJ-UHFFFAOYSA-N 0 0 332.433 1.745 10 0 EDAERN COc1cc(OC)c(NC(=O)[C@H]2CNC(=O)C2)cc1Br ZINC000161983577 442052994 /nfs/dbraw/zinc/05/29/94/442052994.db2.gz KHKDGVXMSQADGU-SSDOTTSWSA-N 0 0 343.177 1.541 10 0 EDAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151451223 442064236 /nfs/dbraw/zinc/06/42/36/442064236.db2.gz YZQXNNGVSNWKNE-BFUOFWGJSA-N 0 0 342.395 1.436 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000162250054 442077215 /nfs/dbraw/zinc/07/72/15/442077215.db2.gz OFTCPFUNTMITKF-LBPRGKRZSA-N 0 0 345.399 1.652 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000162732852 442117809 /nfs/dbraw/zinc/11/78/09/442117809.db2.gz IZYLALQJNPHFEC-NSHDSACASA-N 0 0 328.727 1.582 10 0 EDAERN CC(C)Cn1ccnc1CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175813419 442128052 /nfs/dbraw/zinc/12/80/52/442128052.db2.gz WXZFTYCMKDQULL-CVEARBPZSA-N 0 0 349.479 1.401 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000126647687 442130246 /nfs/dbraw/zinc/13/02/46/442130246.db2.gz ATSKPJQUETUEES-CQSZACIVSA-N 0 0 338.452 1.932 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnn(CC(C)C)c1C)CC2 ZINC000162922909 442131525 /nfs/dbraw/zinc/13/15/25/442131525.db2.gz OUZGVYITOWFCHF-CYBMUJFWSA-N 0 0 330.436 1.746 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000175880369 442139708 /nfs/dbraw/zinc/13/97/08/442139708.db2.gz ABFGSWBXLBKUIP-CQSZACIVSA-N 0 0 329.408 1.734 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N[C@H]2COc3ccccc32)c1 ZINC000175903414 442143123 /nfs/dbraw/zinc/14/31/23/442143123.db2.gz UJZOEPJAEGLWSH-HNNXBMFYSA-N 0 0 326.352 1.804 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Sc1ccccn1 ZINC000127107468 442170912 /nfs/dbraw/zinc/17/09/12/442170912.db2.gz IXMBOMQCYMLBLG-NWDGAFQWSA-N 0 0 347.444 1.951 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1Cl ZINC000176104021 442177094 /nfs/dbraw/zinc/17/70/94/442177094.db2.gz FEXRNGQZMHFEIV-NSHDSACASA-N 0 0 349.778 1.530 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2CCC)C1 ZINC000152326610 442198534 /nfs/dbraw/zinc/19/85/34/442198534.db2.gz LVLIZOQACSQBPJ-CYBMUJFWSA-N 0 0 349.435 1.139 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cn(CC(=O)N(C)C)nn2)o1 ZINC000127397509 442198882 /nfs/dbraw/zinc/19/88/82/442198882.db2.gz RVLBJBWNRHDREE-AWEZNQCLSA-N 0 0 345.403 1.635 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2-n2ncc3c2nc[nH]c3=O)O1 ZINC000152066319 442160467 /nfs/dbraw/zinc/16/04/67/442160467.db2.gz DEEUMXFXYUQOGC-QMTHXVAHSA-N 0 0 339.355 1.615 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000176373754 442215267 /nfs/dbraw/zinc/21/52/67/442215267.db2.gz WJIQJMOQOOYUKO-HIFRSBDPSA-N 0 0 336.436 1.953 10 0 EDAERN O=C(CN1CCCC1=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176401525 442218261 /nfs/dbraw/zinc/21/82/61/442218261.db2.gz CXTXHPQTHSRUKD-CYBMUJFWSA-N 0 0 331.420 1.290 10 0 EDAERN COC(=O)C1(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)CC1 ZINC000127748087 442223309 /nfs/dbraw/zinc/22/33/09/442223309.db2.gz ZIMJCYNAZMPFDV-UHFFFAOYSA-N 0 0 348.447 1.236 10 0 EDAERN CN1CCO[C@@H]2CN(C(=O)COc3ccc(F)cc3Cl)C[C@@H]21 ZINC000152546364 442224790 /nfs/dbraw/zinc/22/47/90/442224790.db2.gz GWCHVOCCMFJFDE-GXTWGEPZSA-N 0 0 328.771 1.399 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCN1C[C@@H](C)O ZINC000127812230 442226975 /nfs/dbraw/zinc/22/69/75/442226975.db2.gz GTBHLFCIRMWBBR-ZYHUDNBSSA-N 0 0 346.353 1.413 10 0 EDAERN CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176834687 442261756 /nfs/dbraw/zinc/26/17/56/442261756.db2.gz MKSKHGRGSZPJRP-LBPRGKRZSA-N 0 0 335.389 1.338 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1nnc(-c2ccccc2)n1C ZINC000170822658 442269187 /nfs/dbraw/zinc/26/91/87/442269187.db2.gz VIVCJPJFSCAKEP-AWEZNQCLSA-N 0 0 342.399 1.579 10 0 EDAERN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C)c2)n1 ZINC000170823984 442269422 /nfs/dbraw/zinc/26/94/22/442269422.db2.gz BXRDVTAWHKZKOA-QMTHXVAHSA-N 0 0 340.383 1.462 10 0 EDAERN COCCOCCNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000170897529 442285337 /nfs/dbraw/zinc/28/53/37/442285337.db2.gz KROAGTATIVRHAT-ZDUSSCGKSA-N 0 0 326.397 1.005 10 0 EDAERN CC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000128749275 442285844 /nfs/dbraw/zinc/28/58/44/442285844.db2.gz CRHIJGWSWVVSKQ-IUODEOHRSA-N 0 0 333.363 1.058 10 0 EDAERN O=C(CCc1ccccc1Cl)NC[C@@H](O)CN1CCOCC1 ZINC000154137791 442323222 /nfs/dbraw/zinc/32/32/22/442323222.db2.gz YWEUEBCWIRWEGN-CQSZACIVSA-N 0 0 326.824 1.082 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)C2)no1 ZINC000171235472 442331434 /nfs/dbraw/zinc/33/14/34/442331434.db2.gz UFDSQVODYOBRSW-QEJZJMRPSA-N 0 0 337.420 1.743 10 0 EDAERN CCc1oc(C(=O)OC)cc1CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000177350148 442331483 /nfs/dbraw/zinc/33/14/83/442331483.db2.gz BLLUARNNWVTMRH-AWEZNQCLSA-N 0 0 334.376 1.629 10 0 EDAERN COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171486572 442352141 /nfs/dbraw/zinc/35/21/41/442352141.db2.gz FOWBKPQNGIXCGB-MRXNPFEDSA-N 0 0 342.399 1.522 10 0 EDAERN CN(C)C(=O)C1(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)CCCC1 ZINC000177519490 442352374 /nfs/dbraw/zinc/35/23/74/442352374.db2.gz JKPXBORJYUCQSP-OAHLLOKOSA-N 0 0 347.463 1.706 10 0 EDAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177523092 442352934 /nfs/dbraw/zinc/35/29/34/442352934.db2.gz LCKBUJDHVADJSP-LBPRGKRZSA-N 0 0 335.360 1.821 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000177161025 442308176 /nfs/dbraw/zinc/30/81/76/442308176.db2.gz KGVKVVMNTRWQEV-AWEZNQCLSA-N 0 0 339.399 1.526 10 0 EDAERN Cc1nc(C[C@@H]2CCCN([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)no1 ZINC000171653892 442366956 /nfs/dbraw/zinc/36/69/56/442366956.db2.gz WXALTQHEMZFARB-JQWIXIFHSA-N 0 0 346.439 1.227 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000177653917 442367131 /nfs/dbraw/zinc/36/71/31/442367131.db2.gz SLSIRQZYUSGJOM-OAHLLOKOSA-N 0 0 342.399 1.366 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000177704506 442373142 /nfs/dbraw/zinc/37/31/42/442373142.db2.gz CGYYJLJMFPCZQE-JSGCOSHPSA-N 0 0 345.447 1.599 10 0 EDAERN CC(C)n1nnnc1CNc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000131490680 442373193 /nfs/dbraw/zinc/37/31/93/442373193.db2.gz HWIJMYZEDPFBTK-UHFFFAOYSA-N 0 0 344.419 1.775 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1N1CCOCC1 ZINC000177732608 442377104 /nfs/dbraw/zinc/37/71/04/442377104.db2.gz IGUQEATUDDFDBD-HNNXBMFYSA-N 0 0 341.415 1.688 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)COC3CCCCC3)CC2)no1 ZINC000171758952 442378363 /nfs/dbraw/zinc/37/83/63/442378363.db2.gz VXDBFHKLKRHWLP-UHFFFAOYSA-N 0 0 336.436 1.762 10 0 EDAERN NC(=O)COc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177771358 442382023 /nfs/dbraw/zinc/38/20/23/442382023.db2.gz XKBWSIVWUQUOJH-CQSZACIVSA-N 0 0 328.372 1.052 10 0 EDAERN C[C@@H](NC(=O)N1CCC[C@H]1c1cnn(C)c1)c1nnc2n1CCCC2 ZINC000177936307 442396705 /nfs/dbraw/zinc/39/67/05/442396705.db2.gz SWGWDEHVLAUBRD-OCCSQVGLSA-N 0 0 343.435 1.956 10 0 EDAERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCCn2ncnc21 ZINC000177588475 442360638 /nfs/dbraw/zinc/36/06/38/442360638.db2.gz WOSLNGIFSQNTLO-GFCCVEGCSA-N 0 0 348.790 1.897 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000171602866 442361654 /nfs/dbraw/zinc/36/16/54/442361654.db2.gz BHYDGLITZGFKDH-GFCCVEGCSA-N 0 0 349.341 1.150 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177602326 442361893 /nfs/dbraw/zinc/36/18/93/442361893.db2.gz KCCQACDBJHSXBZ-STQMWFEESA-N 0 0 349.435 1.876 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)CN1CCCC1=O ZINC000172071003 442405976 /nfs/dbraw/zinc/40/59/76/442405976.db2.gz LNMMTURNHVYESR-WFASDCNBSA-N 0 0 347.463 1.894 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000155749647 442424481 /nfs/dbraw/zinc/42/44/81/442424481.db2.gz BHGXXQMAGYKOLD-LBPRGKRZSA-N 0 0 326.299 1.457 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000178372440 442428591 /nfs/dbraw/zinc/42/85/91/442428591.db2.gz ULNRCANDGKVYIT-LBPRGKRZSA-N 0 0 327.388 1.739 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCCCn2cccn2)[C@@H]1c1ccc(F)cc1 ZINC000133756946 442432516 /nfs/dbraw/zinc/43/25/16/442432516.db2.gz HSPIMTWSBOWKPR-RDJZCZTQSA-N 0 0 344.390 1.748 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccnc1Br ZINC000134217671 442458899 /nfs/dbraw/zinc/45/88/99/442458899.db2.gz DAKOYSZBIGOTAQ-SNVBAGLBSA-N 0 0 326.194 1.537 10 0 EDAERN COCCN1CCN(C(=O)N[C@H]2COc3ccccc3C2)C[C@@H]1C ZINC000172327542 442444750 /nfs/dbraw/zinc/44/47/50/442444750.db2.gz UUUJUDRQOQUCIG-GOEBONIOSA-N 0 0 333.432 1.352 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)OCc1ccccc1 ZINC000156137398 442450420 /nfs/dbraw/zinc/45/04/20/442450420.db2.gz SEJAIUIPHUSWIU-OAHLLOKOSA-N 0 0 340.445 1.781 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)ccc1F ZINC000172397737 442454312 /nfs/dbraw/zinc/45/43/12/442454312.db2.gz VARUEWGRJUROLE-CYBMUJFWSA-N 0 0 345.378 1.928 10 0 EDAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191740637 442502843 /nfs/dbraw/zinc/50/28/43/442502843.db2.gz PEZGSNDAZWVBCE-FMKPAKJESA-N 0 0 339.480 1.551 10 0 EDAERN CSc1nc(C)c(CCC(=O)N2CCCNC(=O)[C@H]2C)c(C)n1 ZINC000191764565 442507250 /nfs/dbraw/zinc/50/72/50/442507250.db2.gz TWCXMHJXQKPZRC-GFCCVEGCSA-N 0 0 336.461 1.485 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C(C)C ZINC000178862670 442507459 /nfs/dbraw/zinc/50/74/59/442507459.db2.gz DONSIWUIIRFEQL-OLZOCXBDSA-N 0 0 339.461 1.389 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)cn1 ZINC000191767669 442508013 /nfs/dbraw/zinc/50/80/13/442508013.db2.gz HHFCEUNPKNQFBU-MRXNPFEDSA-N 0 0 329.356 1.845 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)/C=C/c3cncc(O)c3)CC2)nn1 ZINC000179494804 442466173 /nfs/dbraw/zinc/46/61/73/442466173.db2.gz DIKJAYQNSYRJPI-GQCTYLIASA-N 0 0 339.399 1.638 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCCc4n[nH]cc43)CCO2)n1 ZINC000134322621 442470442 /nfs/dbraw/zinc/47/04/42/442470442.db2.gz OLOZPLIXXSXUMS-GJZGRUSLSA-N 0 0 343.431 1.571 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)c3ccc(N)cc3)CCCC2)no1 ZINC000186135594 442470548 /nfs/dbraw/zinc/47/05/48/442470548.db2.gz PMHDMNHJLSWNNM-UHFFFAOYSA-N 0 0 336.417 1.962 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NC2CN(C(=O)OC)C2)C1 ZINC000178754311 442475116 /nfs/dbraw/zinc/47/51/16/442475116.db2.gz MGBKBXPTCCZRCS-ZDUSSCGKSA-N 0 0 335.408 1.243 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000156427642 442479675 /nfs/dbraw/zinc/47/96/75/442479675.db2.gz QLXXHXGECOISMK-ONGXEEELSA-N 0 0 332.372 1.902 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cn(C)nc3-c3cccnc3)CCO2)[nH]1 ZINC000180108741 442542940 /nfs/dbraw/zinc/54/29/40/442542940.db2.gz SWTPOQNOGXFLKE-OAHLLOKOSA-N 0 0 339.403 1.482 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2Cc2cc(=O)n(C)c(=O)n2C)o1 ZINC000172871811 442558900 /nfs/dbraw/zinc/55/89/00/442558900.db2.gz SRHKXNJGJDTKDN-HNNXBMFYSA-N 0 0 331.416 1.967 10 0 EDAERN O[C@@H](COc1ccccc1)CN1CCN(Cc2nccs2)CC1 ZINC000135055841 442549896 /nfs/dbraw/zinc/54/98/96/442549896.db2.gz YSIOBGAXRXXZDZ-OAHLLOKOSA-N 0 0 333.457 1.701 10 0 EDAERN C[C@@H]1CS(=O)(=O)CCN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000172632720 442511209 /nfs/dbraw/zinc/51/12/09/442511209.db2.gz DYQAQIMDUDDKTF-DOMZBBRYSA-N 0 0 347.864 1.336 10 0 EDAERN CC[C@H](C)[C@H](NC[C@H](O)CN1CCCC1=O)C(=O)OC(C)(C)C ZINC000179847522 442511764 /nfs/dbraw/zinc/51/17/64/442511764.db2.gz NDTKRIWXOJOIKM-YDHLFZDLSA-N 0 0 328.453 1.316 10 0 EDAERN COCCN1CCN(C(=O)c2ncccc2C(F)(F)F)C[C@H]1C ZINC000180272219 442570951 /nfs/dbraw/zinc/57/09/51/442570951.db2.gz YCZKNUGPCZXXMW-LLVKDONJSA-N 0 0 331.338 1.893 10 0 EDAERN Cc1nncn1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000135254588 442573370 /nfs/dbraw/zinc/57/33/70/442573370.db2.gz GYXTVRYWNUYJJK-GDBMZVCRSA-N 0 0 345.378 1.061 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)c1nnc2n1CCCC2)C(C)C ZINC000135343381 442583277 /nfs/dbraw/zinc/58/32/77/442583277.db2.gz WBCFWBLOUBTQBO-BBRMVZONSA-N 0 0 349.479 1.979 10 0 EDAERN COc1cccc2[nH]cc(CC(=O)NC[C@H](C)N3CCOCC3)c21 ZINC000180344279 442584135 /nfs/dbraw/zinc/58/41/35/442584135.db2.gz AZDGGNOOTJYICP-ZDUSSCGKSA-N 0 0 331.416 1.556 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)N[C@@H]1CCOC1 ZINC000179170362 442588525 /nfs/dbraw/zinc/58/85/25/442588525.db2.gz BDKNFLFNGRZWKG-KGLIPLIRSA-N 0 0 339.461 1.552 10 0 EDAERN CC1CCC(NC(=O)CN2CCC([N@H+](C)CC(=O)[O-])CC2)CC1 ZINC000186675402 442589118 /nfs/dbraw/zinc/58/91/18/442589118.db2.gz CVUHUVMKXYHZBW-UHFFFAOYSA-N 0 0 325.453 1.162 10 0 EDAERN C[C@@H]1CCS(=O)(=O)CCN1C[C@H](O)COCc1ccccc1 ZINC000192089351 442589412 /nfs/dbraw/zinc/58/94/12/442589412.db2.gz FWJYQUWDEQHCFQ-ZBFHGGJFSA-N 0 0 327.446 1.073 10 0 EDAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCC(Nc2cccnn2)CC1 ZINC000135388583 442589678 /nfs/dbraw/zinc/58/96/78/442589678.db2.gz QNHQSWRFHLGFKU-ZDUSSCGKSA-N 0 0 326.404 1.723 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cnns2)C12CCCC2 ZINC000192092024 442590681 /nfs/dbraw/zinc/59/06/81/442590681.db2.gz SBGSURMCSJMBPE-WDEREUQCSA-N 0 0 338.433 1.673 10 0 EDAERN C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000186745676 442604179 /nfs/dbraw/zinc/60/41/79/442604179.db2.gz OYYJNZUHWUQXEH-VIFPVBQESA-N 0 0 339.804 1.873 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)[nH]c(=O)c2)ncn1 ZINC000180486072 442609600 /nfs/dbraw/zinc/60/96/00/442609600.db2.gz XNARJFNMVIGKKV-ZDUSSCGKSA-N 0 0 342.403 1.326 10 0 EDAERN Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000157217530 442561544 /nfs/dbraw/zinc/56/15/44/442561544.db2.gz IBBDNPAAGMDMGF-LLVKDONJSA-N 0 0 325.796 1.034 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180249311 442566245 /nfs/dbraw/zinc/56/62/45/442566245.db2.gz XEZGVVUNSXLHKE-CZUORRHYSA-N 0 0 349.406 1.252 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000186580358 442566339 /nfs/dbraw/zinc/56/63/39/442566339.db2.gz NBLVGZHDKBIMLC-GFCCVEGCSA-N 0 0 342.399 1.821 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1F ZINC000180777769 442658669 /nfs/dbraw/zinc/65/86/69/442658669.db2.gz JSXLDOONJDXALR-UKRRQHHQSA-N 0 0 349.406 1.252 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)o1 ZINC000192518769 442656237 /nfs/dbraw/zinc/65/62/37/442656237.db2.gz KDOSIZIGOOFJKK-NSHDSACASA-N 0 0 341.367 1.923 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(Cl)cn1)CC2 ZINC000180594339 442631103 /nfs/dbraw/zinc/63/11/03/442631103.db2.gz VUPAOOQMVIFCTK-GFCCVEGCSA-N 0 0 334.811 1.703 10 0 EDAERN CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)COCc2ccccc2)C1=O ZINC000173249998 442632527 /nfs/dbraw/zinc/63/25/27/442632527.db2.gz ZVQRKHLGZPVBPF-GOEBONIOSA-N 0 0 333.432 1.900 10 0 EDAERN Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187555093 442681605 /nfs/dbraw/zinc/68/16/05/442681605.db2.gz JSJJGZQJZJIPJD-STQMWFEESA-N 0 0 333.413 1.034 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)C(C)C ZINC000181250500 442686913 /nfs/dbraw/zinc/68/69/13/442686913.db2.gz DILPPVVIADCXCB-CXAGYDPISA-N 0 0 337.464 1.300 10 0 EDAERN CC(C)c1csc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000192958411 442701133 /nfs/dbraw/zinc/70/11/33/442701133.db2.gz LEXAHNBATLOVBH-NSHDSACASA-N 0 0 347.444 1.955 10 0 EDAERN Cn1cc([C@H]2CCN(CCS(=O)(=O)c3ccc(F)cc3)C2)cn1 ZINC000192594245 442667020 /nfs/dbraw/zinc/66/70/20/442667020.db2.gz VLYLLOVOZVFOOO-ZDUSSCGKSA-N 0 0 337.420 1.822 10 0 EDAERN CCCCNC(=O)NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188156953 442718051 /nfs/dbraw/zinc/71/80/51/442718051.db2.gz AIKVAGRQLYVPDP-KBPBESRZSA-N 0 0 339.461 1.382 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000188166564 442719377 /nfs/dbraw/zinc/71/93/77/442719377.db2.gz WBCBPGNTMBMIMD-UHFFFAOYSA-N 0 0 345.321 1.362 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)C1 ZINC000193578761 442756088 /nfs/dbraw/zinc/75/60/88/442756088.db2.gz TZXUSLIIRLNHQV-IAGOWNOFSA-N 0 0 343.427 1.418 10 0 EDAERN O=C(Cc1ccccc1OC(F)F)N1CC(NC(=O)C2CCC2)C1 ZINC000188491681 442756146 /nfs/dbraw/zinc/75/61/46/442756146.db2.gz MIXGTDYFQYQQGA-UHFFFAOYSA-N 0 0 338.354 1.958 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cn1 ZINC000193378788 442737566 /nfs/dbraw/zinc/73/75/66/442737566.db2.gz ISOQNNLRBBUZJW-LBPRGKRZSA-N 0 0 331.347 1.881 10 0 EDAERN CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000181726544 442712889 /nfs/dbraw/zinc/71/28/89/442712889.db2.gz HDNOGKZCKIDPIK-ZIAGYGMSSA-N 0 0 335.452 1.784 10 0 EDAERN CCC(CC)[C@@H](O)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181732986 442713490 /nfs/dbraw/zinc/71/34/90/442713490.db2.gz UDLTVBSNTCOADD-KBPBESRZSA-N 0 0 337.468 1.813 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccoc2Br)CCN1C[C@@H](C)O ZINC000193802933 442789368 /nfs/dbraw/zinc/78/93/68/442789368.db2.gz QMGNGNBERKUISR-GHMZBOCLSA-N 0 0 345.237 1.959 10 0 EDAERN COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246602973 442795926 /nfs/dbraw/zinc/79/59/26/442795926.db2.gz QSZLBINCKIIDFN-KMFMINBZSA-N 0 0 346.427 1.864 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188525534 442760263 /nfs/dbraw/zinc/76/02/63/442760263.db2.gz SKLDVVNPNAVROU-UHFFFAOYSA-N 0 0 339.395 1.240 10 0 EDAERN O=C(NC1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1)C1CCC1 ZINC000188548331 442761919 /nfs/dbraw/zinc/76/19/19/442761919.db2.gz NABUGEAXZLQIFZ-INIZCTEOSA-N 0 0 327.384 1.307 10 0 EDAERN C[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1nnc2n1CCCC2 ZINC000182545817 442784491 /nfs/dbraw/zinc/78/44/91/442784491.db2.gz PXCJBJBMTAJEDQ-NSHDSACASA-N 0 0 339.399 1.529 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2cccc(C)c2)CCCC1 ZINC000188866345 442831438 /nfs/dbraw/zinc/83/14/38/442831438.db2.gz IKNVSKMTJVMEBG-QZTJIDSGSA-N 0 0 344.455 1.905 10 0 EDAERN COc1cc(C(=O)N2CCCNC(=O)[C@H]2C)ccc1OC(F)F ZINC000188881385 442833954 /nfs/dbraw/zinc/83/39/54/442833954.db2.gz UJBDOEQKWQSEEM-SECBINFHSA-N 0 0 328.315 1.647 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)c[nH]2)C[C@H]1C ZINC000246816166 442815736 /nfs/dbraw/zinc/81/57/36/442815736.db2.gz SGFMEXYVWJJQRB-ZJUUUORDSA-N 0 0 330.226 1.304 10 0 EDAERN CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCCOC2)C[C@@H]1CC ZINC000247104508 442836009 /nfs/dbraw/zinc/83/60/09/442836009.db2.gz MTIHIKWSSZKZQI-CVEARBPZSA-N 0 0 327.469 1.555 10 0 EDAERN O=C(c1cncc(Cl)n1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188935261 442845281 /nfs/dbraw/zinc/84/52/81/442845281.db2.gz XNRSYKUTNYTBPI-OAHLLOKOSA-N 0 0 346.818 1.621 10 0 EDAERN COC(=O)N1CCC([C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000188942978 442846064 /nfs/dbraw/zinc/84/60/64/442846064.db2.gz OIMWMVJOSRURPP-OCCSQVGLSA-N 0 0 326.441 1.199 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCCn2ccnn2)C1 ZINC000182932631 442850002 /nfs/dbraw/zinc/85/00/02/442850002.db2.gz XBBVTXZAOQVQED-ZDUSSCGKSA-N 0 0 337.424 1.432 10 0 EDAERN Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000247374346 442850139 /nfs/dbraw/zinc/85/01/39/442850139.db2.gz VBSKYTOLZDICQP-FUHWJXTLSA-N 0 0 331.416 1.332 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N(C)CC1(O)CCOCC1 ZINC000189018308 442861823 /nfs/dbraw/zinc/86/18/23/442861823.db2.gz JICCRZLLAGLRBP-HNNXBMFYSA-N 0 0 336.432 1.775 10 0 EDAERN CC(=O)c1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)ccc1C ZINC000194220379 442863303 /nfs/dbraw/zinc/86/33/03/442863303.db2.gz ZUDVKHVYHFLOEW-OAHLLOKOSA-N 0 0 328.372 1.838 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1 ZINC000189070965 442871041 /nfs/dbraw/zinc/87/10/41/442871041.db2.gz KZSBNMIXZWJVBH-AWEZNQCLSA-N 0 0 327.388 1.734 10 0 EDAERN C[C@@H](NC(=O)NCCCOCC(F)(F)F)c1nnc2n1CCCC2 ZINC000178550783 318449276 /nfs/dbraw/zinc/44/92/76/318449276.db2.gz KFZKDBFBFCMHJZ-SNVBAGLBSA-N 0 0 349.357 1.944 10 0 EDAERN Cc1cc2c(ncnc2N2CCN(Cc3nnc(C)n3C)CC2)s1 ZINC000179521905 318459638 /nfs/dbraw/zinc/45/96/38/318459638.db2.gz YNXKIMGNYALHMW-UHFFFAOYSA-N 0 0 343.460 1.759 10 0 EDAERN O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccn[nH]1 ZINC000180925489 318476150 /nfs/dbraw/zinc/47/61/50/318476150.db2.gz LCKBFSIBSZOEML-MNOVXSKESA-N 0 0 334.326 1.338 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)C1 ZINC000194157169 442853337 /nfs/dbraw/zinc/85/33/37/442853337.db2.gz OXMLGZPNEJHNOT-JTQLQIEISA-N 0 0 341.358 1.512 10 0 EDAERN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000189237244 442902293 /nfs/dbraw/zinc/90/22/93/442902293.db2.gz QBGVXGSLBBXHMZ-ZBFHGGJFSA-N 0 0 345.443 1.251 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C2)c1 ZINC000189255096 442906113 /nfs/dbraw/zinc/90/61/13/442906113.db2.gz RVTDFMGLLHSCCJ-LBPRGKRZSA-N 0 0 338.371 1.300 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000248629358 442910714 /nfs/dbraw/zinc/91/07/14/442910714.db2.gz GIUBBCMXXINNHX-IRXDYDNUSA-N 0 0 345.443 1.409 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000194594710 442918898 /nfs/dbraw/zinc/91/88/98/442918898.db2.gz HQKABRUQYMRPLP-WDEREUQCSA-N 0 0 326.828 1.962 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCOC[C@H]2C)ncn1 ZINC000248735933 442921835 /nfs/dbraw/zinc/92/18/35/442921835.db2.gz BRKMVMWWYIOQJI-MCIONIFRSA-N 0 0 333.436 1.276 10 0 EDAERN CN1CCO[C@@H](CNC(=O)CCc2ccccc2Br)C1 ZINC000194607425 442922185 /nfs/dbraw/zinc/92/21/85/442922185.db2.gz LCGHPDOCNLNENW-ZDUSSCGKSA-N 0 0 341.249 1.829 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCCNC(=O)C(F)(F)F)C1 ZINC000189335948 442923774 /nfs/dbraw/zinc/92/37/74/442923774.db2.gz RFIJFPSCRYLBCU-VHSXEESVSA-N 0 0 336.314 1.208 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CN(C)CCO1)C(C)C ZINC000194617488 442924986 /nfs/dbraw/zinc/92/49/86/442924986.db2.gz SMZWTURSMQWHKJ-RDJZCZTQSA-N 0 0 347.459 1.196 10 0 EDAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194627105 442926335 /nfs/dbraw/zinc/92/63/35/442926335.db2.gz MPRAZNCBUSVMAQ-AEFFLSMTSA-N 0 0 343.427 1.397 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCc2nc(-c3ccsc3)no2)C1 ZINC000194628116 442926436 /nfs/dbraw/zinc/92/64/36/442926436.db2.gz ALFRWYVEEAJXPF-GFCCVEGCSA-N 0 0 336.417 1.178 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000194626305 442926725 /nfs/dbraw/zinc/92/67/25/442926725.db2.gz KUDJVDIFBIXXSG-QGZVFWFLSA-N 0 0 328.416 1.252 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(OCC(F)F)n2)C1)C1CC1 ZINC000189384900 442936082 /nfs/dbraw/zinc/93/60/82/442936082.db2.gz NDMAEGJWZYUNFW-UHFFFAOYSA-N 0 0 325.315 1.076 10 0 EDAERN CC(C)(C(=O)N1CC(NC(=O)C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000189390763 442937158 /nfs/dbraw/zinc/93/71/58/442937158.db2.gz HOJWHOCBXVVMGU-UHFFFAOYSA-N 0 0 344.411 1.472 10 0 EDAERN Cc1oc(-c2ccccc2)nc1CC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189451789 442956819 /nfs/dbraw/zinc/95/68/19/442956819.db2.gz DQCZEIILJDEBMA-UHFFFAOYSA-N 0 0 339.395 1.930 10 0 EDAERN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@H]1CNC(=O)C1 ZINC000194822222 318593489 /nfs/dbraw/zinc/59/34/89/318593489.db2.gz DFLHHKLCOONRRG-SECBINFHSA-N 0 0 338.289 1.966 10 0 EDAERN Cc1coc2ccc(NC(=O)C(=O)NC[C@H]3CN(C)CCO3)cc12 ZINC000184310146 443011414 /nfs/dbraw/zinc/01/14/14/443011414.db2.gz KXOGEIFPURAHQP-ZDUSSCGKSA-N 0 0 331.372 1.127 10 0 EDAERN CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000255323516 443094503 /nfs/dbraw/zinc/09/45/03/443094503.db2.gz XYZXIEVOPMTPRI-RWMBFGLXSA-N 0 0 340.445 1.815 10 0 EDAERN COc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)cc1 ZINC000224218864 443096948 /nfs/dbraw/zinc/09/69/48/443096948.db2.gz PNKKVRDKAVINRX-UHFFFAOYSA-N 0 0 343.387 1.644 10 0 EDAERN COc1ccc([C@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)cc1F ZINC000190045063 443051239 /nfs/dbraw/zinc/05/12/39/443051239.db2.gz QAFDXENTQBKSLK-JTQLQIEISA-N 0 0 335.379 1.815 10 0 EDAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185138267 443146207 /nfs/dbraw/zinc/14/62/07/443146207.db2.gz OICBGZUIEADVDY-ZIAGYGMSSA-N 0 0 347.242 1.379 10 0 EDAERN COCCN1CCN(C(=O)/C=C\c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000255505833 443100860 /nfs/dbraw/zinc/10/08/60/443100860.db2.gz CWTDCTFLBUSJTP-LYASGUKUSA-N 0 0 348.443 1.896 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 ZINC000184940195 443102877 /nfs/dbraw/zinc/10/28/77/443102877.db2.gz GNNCUCAMUJKKFU-DLBZAZTESA-N 0 0 349.475 1.860 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)Cc2ccccc2F)CC1 ZINC000184940610 443102957 /nfs/dbraw/zinc/10/29/57/443102957.db2.gz RISPSDXLZBYQIA-ZBFHGGJFSA-N 0 0 337.439 1.855 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCc3cc(F)ccc32)CC1 ZINC000184953194 443106075 /nfs/dbraw/zinc/10/60/75/443106075.db2.gz GARBEQXFADRKGJ-RDJZCZTQSA-N 0 0 335.423 1.911 10 0 EDAERN CC(=O)NC1CN(C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)C1 ZINC000190464117 443113667 /nfs/dbraw/zinc/11/36/67/443113667.db2.gz HRNSSNKVZDQBCS-UHFFFAOYSA-N 0 0 342.399 1.133 10 0 EDAERN CCOC(=O)CN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190516370 443125020 /nfs/dbraw/zinc/12/50/20/443125020.db2.gz HWKBYRBFRWSIOC-AWEZNQCLSA-N 0 0 328.453 1.678 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]nc2C2CC2)ncn1 ZINC000190522547 443126626 /nfs/dbraw/zinc/12/66/26/443126626.db2.gz QAJFPOFCOBGTLA-LBPRGKRZSA-N 0 0 341.419 1.518 10 0 EDAERN Cc1noc([C@H]2COCCN2C[C@@H](O)COc2cc(C)cc(C)c2)n1 ZINC000185070722 443129637 /nfs/dbraw/zinc/12/96/37/443129637.db2.gz KOWZUPXIOJYCEK-NVXWUHKLSA-N 0 0 347.415 1.808 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Sc2ccccc2Cl)C1 ZINC000185240173 443167985 /nfs/dbraw/zinc/16/79/85/443167985.db2.gz HDCRDSRURIIPLB-SNVBAGLBSA-N 0 0 342.848 1.794 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000185254100 443170271 /nfs/dbraw/zinc/17/02/71/443170271.db2.gz ZGLVMGZQORJSLX-UHFFFAOYSA-N 0 0 349.774 1.582 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000185275477 443174491 /nfs/dbraw/zinc/17/44/91/443174491.db2.gz ZDOIPFIXKXHTKN-UHFFFAOYSA-N 0 0 348.790 1.113 10 0 EDAERN CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190754412 443176754 /nfs/dbraw/zinc/17/67/54/443176754.db2.gz PVIYSVQGHQHVOF-CQSZACIVSA-N 0 0 342.399 1.912 10 0 EDAERN CCn1cc([C@@H]2CN(Cc3cc(=O)n4ccccc4n3)CCO2)cn1 ZINC000190783376 443183277 /nfs/dbraw/zinc/18/32/77/443183277.db2.gz NZOPCPUVIGCTOX-INIZCTEOSA-N 0 0 339.399 1.484 10 0 EDAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000185395320 443193787 /nfs/dbraw/zinc/19/37/87/443193787.db2.gz HOTJLVVJPUCEHP-UHFFFAOYSA-N 0 0 349.398 1.614 10 0 EDAERN C[C@@H](NC(=O)NCc1nc(COc2ccccc2)n[nH]1)[C@H]1CCCO1 ZINC000185168112 443153195 /nfs/dbraw/zinc/15/31/95/443153195.db2.gz YAMGDFPTDARPRS-TZMCWYRMSA-N 0 0 345.403 1.750 10 0 EDAERN CO[C@H](C)CNC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000190668940 443160207 /nfs/dbraw/zinc/16/02/07/443160207.db2.gz YFXGSWJJJSTEMK-OCCSQVGLSA-N 0 0 341.477 1.764 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@H]2CCOC2)C[C@H]1N(C)c1ncnc2[nH]ccc21 ZINC000261112253 443160639 /nfs/dbraw/zinc/16/06/39/443160639.db2.gz IGNOXKOLEZVMMV-VNHYZAJKSA-N 0 0 343.431 1.668 10 0 EDAERN NC(=O)c1cc(I)c(OC(F)(F)F)cn1 ZINC000238610775 443196201 /nfs/dbraw/zinc/19/62/01/443196201.db2.gz XUXGNUJFKMZOIY-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN Cc1nc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)no1 ZINC000185580108 443222599 /nfs/dbraw/zinc/22/25/99/443222599.db2.gz WFLAVMTZZJCTDW-QJPTWQEYSA-N 0 0 336.392 1.753 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000185716958 443244441 /nfs/dbraw/zinc/24/44/41/443244441.db2.gz IFWLRORGYAWPPE-WBMJQRKESA-N 0 0 331.416 1.781 10 0 EDAERN CC(=O)NC1CN(C(=O)C2(c3ccccc3Br)CC2)C1 ZINC000191092397 443240169 /nfs/dbraw/zinc/24/01/69/443240169.db2.gz LRLXVSDBQYSSKI-UHFFFAOYSA-N 0 0 337.217 1.828 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C12CCOCC2 ZINC000185704531 443241691 /nfs/dbraw/zinc/24/16/91/443241691.db2.gz NJJXVCYOYIYQHP-HOTGVXAUSA-N 0 0 341.496 1.942 10 0 EDAERN C/C=C/C[C@H](CO)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185463332 443203445 /nfs/dbraw/zinc/20/34/45/443203445.db2.gz USEUJNSPIXQRKH-VSYHDTTKSA-N 0 0 340.445 1.777 10 0 EDAERN C[C@H]1C(=O)N(C)CCN1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190959707 443215015 /nfs/dbraw/zinc/21/50/15/443215015.db2.gz WPDMFNZPMDFGQF-BPUTZDHNSA-N 0 0 331.416 1.636 10 0 EDAERN Cc1cc(CC(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)n[nH]1 ZINC000246138079 443272216 /nfs/dbraw/zinc/27/22/16/443272216.db2.gz DXLNNCDIOWKMIC-ZFWWWQNUSA-N 0 0 348.472 1.900 10 0 EDAERN Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@H](C)[C@H](N3CCOCC3)C1)CO2 ZINC000185936999 443287215 /nfs/dbraw/zinc/28/72/15/443287215.db2.gz GMAQLIXTYIEEDC-CGTJXYLNSA-N 0 0 344.455 1.959 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246066241 443264796 /nfs/dbraw/zinc/26/47/96/443264796.db2.gz BXYKHTAMAVBPEW-DHSIGJKJSA-N 0 0 346.427 1.564 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)C1 ZINC000191475594 443299873 /nfs/dbraw/zinc/29/98/73/443299873.db2.gz SLHWWBNPRIVPRW-KRWDZBQOSA-N 0 0 331.416 1.237 10 0 EDAERN O=C(NCCc1cccc(C(F)(F)F)n1)N1C[C@@H](F)C[C@@H]1CO ZINC000458802085 320342052 /nfs/dbraw/zinc/34/20/52/320342052.db2.gz ORBGKHMSJOBJOY-GXSJLCMTSA-N 0 0 335.301 1.757 10 0 EDAERN CC(C)(C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1)C1CCOCC1 ZINC000299745855 444133251 /nfs/dbraw/zinc/13/32/51/444133251.db2.gz SXLXBDCDIHBYOH-GHMZBOCLSA-N 0 0 336.354 1.561 10 0 EDAERN Cc1cn2c(CN3CCO[C@@H](c4nncn4C)C3)c(C)nc2s1 ZINC000328650631 444413809 /nfs/dbraw/zinc/41/38/09/444413809.db2.gz VPCFOIGGIZNYOM-CYBMUJFWSA-N 0 0 332.433 1.715 10 0 EDAERN CC1CCC(=Cc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)o2)CC1 ZINC000328654525 444416246 /nfs/dbraw/zinc/41/62/46/444416246.db2.gz XNERQSNRCBWDDL-GLGOKHISSA-N 0 0 341.433 1.996 10 0 EDAERN Cc1noc([C@H]2C[C@@H](O)CN2Cc2cn3c(n2)nc(C)cc3C)n1 ZINC000328617416 444395767 /nfs/dbraw/zinc/39/57/67/444395767.db2.gz CSEZNVRKZKQOGR-ZIAGYGMSSA-N 0 0 328.376 1.345 10 0 EDAERN Cc1cn2nc(NC[C@@H]3CCc4c(C(N)=O)cnn4C3)sc2n1 ZINC000328617870 444395896 /nfs/dbraw/zinc/39/58/96/444395896.db2.gz DDHNXMOWSGOQIC-VIFPVBQESA-N 0 0 331.405 1.854 10 0 EDAERN Cc1cc(C)n(CC(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000623173577 450433790 /nfs/dbraw/zinc/43/37/90/450433790.db2.gz SDTHZJSNVRBXSV-TZMCWYRMSA-N 0 0 345.403 1.749 10 0 EDAERN CSc1c(C)ccc(S(N)(=O)=O)c1I ZINC000575710318 447882545 /nfs/dbraw/zinc/88/25/45/447882545.db2.gz XLMDXWLTTFJXMM-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN CCOC(=O)Cc1cc(OC)c(N)cc1I ZINC000575724537 447882879 /nfs/dbraw/zinc/88/28/79/447882879.db2.gz HQDSUPLYEYFTDN-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN CSc1cc(I)cc(S(N)(=O)=O)c1C ZINC000575710630 447883093 /nfs/dbraw/zinc/88/30/93/447883093.db2.gz ZKYIERNUDCIORM-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN O=C(CN1CCC[C@@](O)(c2cn[nH]n2)C1)NCc1ccc(Cl)cc1 ZINC000583617973 448447397 /nfs/dbraw/zinc/44/73/97/448447397.db2.gz PLEBCAGKTIVLPN-INIZCTEOSA-N 0 0 349.822 1.058 10 0 EDAERN CC(C)n1cc([C@@]2(O)CCN(CC(=O)N3CCCCCC3)C2)nn1 ZINC000583618482 448448755 /nfs/dbraw/zinc/44/87/55/448448755.db2.gz ZZBWLSZVBFJFBV-QGZVFWFLSA-N 0 0 335.452 1.155 10 0 EDAERN CC(=O)N1C[C@@H](NC(=O)c2cn(C)nc2C)CC[C@H]1C(F)(F)F ZINC000583618813 448448791 /nfs/dbraw/zinc/44/87/91/448448791.db2.gz OMTVORDNCWUXKH-JQWIXIFHSA-N 0 0 332.326 1.400 10 0 EDAERN CC(C)n1cc([C@@]2(O)CCN(C(=O)CC3(O)CCCCC3)C2)nn1 ZINC000583618731 448449048 /nfs/dbraw/zinc/44/90/48/448449048.db2.gz BABXAMYTVCXWSN-QGZVFWFLSA-N 0 0 336.436 1.364 10 0 EDAERN CCc1onc(C)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583621011 448452127 /nfs/dbraw/zinc/45/21/27/448452127.db2.gz JKDWQDRMUYMJEY-WBMJQRKESA-N 0 0 328.372 1.642 10 0 EDAERN COc1cnc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1Br ZINC000584628333 448586065 /nfs/dbraw/zinc/58/60/65/448586065.db2.gz ARMFFTQNSFUVAU-MWLCHTKSSA-N 0 0 329.194 1.886 10 0 EDAERN COc1cc2c(ccnc2OC[C@@]2(C)COC(=O)N2)cc1C(N)=O ZINC000584639753 448588082 /nfs/dbraw/zinc/58/80/82/448588082.db2.gz JZTWLVMMCGQQLU-INIZCTEOSA-N 0 0 331.328 1.220 10 0 EDAERN CCN(C)c1ncnc2c1[nH]c(N)c2S(=O)(=O)c1ccccc1 ZINC000584638974 448588196 /nfs/dbraw/zinc/58/81/96/448588196.db2.gz PBJMKNCCYFNSLX-UHFFFAOYSA-N 0 0 331.401 1.829 10 0 EDAERN COC(=O)CN(C=O)[C@@H](C)c1ccc(I)cc1 ZINC000584645382 448588703 /nfs/dbraw/zinc/58/87/03/448588703.db2.gz NNULIWANLIFDGS-VIFPVBQESA-N 0 0 347.152 1.984 10 0 EDAERN Cc1nc(=O)[nH]c(C)c1S(=O)(=O)c1ccc(O)c2ncccc12 ZINC000584653418 448589666 /nfs/dbraw/zinc/58/96/66/448589666.db2.gz LQJFLSUODLIYLD-UHFFFAOYSA-N 0 0 331.353 1.886 10 0 EDAERN O=C(NC1CC(CO)C1)c1cccc(F)c1I ZINC000598527080 449445806 /nfs/dbraw/zinc/44/58/06/449445806.db2.gz CLYBFXUQTOSIAK-UHFFFAOYSA-N 0 0 349.143 1.931 10 0 EDAERN O=C(c1ccnc2c1CC(=O)N2)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000614402862 449596994 /nfs/dbraw/zinc/59/69/94/449596994.db2.gz MZSZXAARTIPBKY-BPLDGKMQSA-N 0 0 329.400 1.732 10 0 EDAERN COc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)C2)cc1Br ZINC000619011656 450378555 /nfs/dbraw/zinc/37/85/55/450378555.db2.gz HHNIIFDIFDIQFF-VIFPVBQESA-N 0 0 341.205 1.666 10 0 EDAERN CC(=O)O[C@@H]1[C@@H](OCc2ccccc2)[C@@H](O)O[C@@H](C)[C@@H]1OC(C)=O ZINC000616588435 450453873 /nfs/dbraw/zinc/45/38/73/450453873.db2.gz HBVDJQLPAKHZER-YTWYBYMMSA-N 0 0 338.356 1.172 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1ccc(CO)cc1 ZINC000616640196 450456695 /nfs/dbraw/zinc/45/66/95/450456695.db2.gz XVYRBKQRPGWQOE-QGZVFWFLSA-N 0 0 332.425 1.514 10 0 EDAERN Nc1cc([C@H]2COCCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000616649667 450458054 /nfs/dbraw/zinc/45/80/54/450458054.db2.gz WCWVWAOVYLAWJQ-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@H]1c1ccccc1CCO ZINC000616686676 450460047 /nfs/dbraw/zinc/46/00/47/450460047.db2.gz OAPNITRASJMEPT-INIZCTEOSA-N 0 0 333.413 1.398 10 0 EDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(Br)c(Cl)c1 ZINC000629237975 451611997 /nfs/dbraw/zinc/61/19/97/451611997.db2.gz XFNNIYFJBBWWPK-QWRGUYRKSA-N 0 0 334.597 1.982 10 0 EDAERN CCOc1cncc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000645269887 452249597 /nfs/dbraw/zinc/24/95/97/452249597.db2.gz VGFXVRUHLRZVRY-GUYCJALGSA-N 0 0 327.388 1.902 10 0 EDAERN CO[C@]1(c2nnc(Cn3nc(C(F)(F)F)cc3C)o2)CCOC1 ZINC000643651627 452417799 /nfs/dbraw/zinc/41/77/99/452417799.db2.gz KOPPGWCFDDCWRK-GFCCVEGCSA-N 0 0 332.282 1.904 10 0 EDAERN Cc1nnc(COC2CN(C(=O)[C@@](C)(O)CCc3ccccc3)C2)o1 ZINC000644223993 453161032 /nfs/dbraw/zinc/16/10/32/453161032.db2.gz UEIRRVXLSQPGQZ-SFHVURJKSA-N 0 0 345.399 1.489 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)NCCc1ccc2ccccc2n1 ZINC000644330632 453310494 /nfs/dbraw/zinc/31/04/94/453310494.db2.gz HJMMKSYNAKIVKF-KRWDZBQOSA-N 0 0 341.411 1.267 10 0 EDAERN Cc1ccccc1C1(CNC(=O)CN2CCCC[C@@H](O)C2=O)CC1 ZINC000644342759 453325500 /nfs/dbraw/zinc/32/55/00/453325500.db2.gz GNPMXTMKBRXLFB-MRXNPFEDSA-N 0 0 330.428 1.516 10 0 EDAERN O=S(=O)(CCCOCc1ccccc1)N[C@H]1CCC[C@H](O)C1 ZINC000685491853 487282583 /nfs/dbraw/zinc/28/25/83/487282583.db2.gz CVWOXBVRDHOYTA-HOTGVXAUSA-N 0 0 327.446 1.816 10 0 EDAERN CCOC(=O)COc1c(Cl)nc(Cl)nc1N1CCOCC1 ZINC000216724869 485529020 /nfs/dbraw/zinc/52/90/20/485529020.db2.gz PKCWHWHQSQZIDO-UHFFFAOYSA-N 0 0 336.175 1.562 10 0 EDAERN CCCNC(=O)c1nn2cccnc2c1I ZINC000584648253 485900008 /nfs/dbraw/zinc/90/00/08/485900008.db2.gz BHVVJFVSEPEXNQ-UHFFFAOYSA-N 0 0 330.129 1.474 10 0 EDAERN C=C(C[C@@H](OS(=O)(=O)c1ccc(C)cc1)C(=O)OC)C(=O)OC ZINC000206717191 486111707 /nfs/dbraw/zinc/11/17/07/486111707.db2.gz VLPRPNGMZFSNCN-CYBMUJFWSA-N 0 0 342.369 1.361 10 0 EDAERN Cc1nn(C)c(CN2CCC[C@H](CC(N)=O)CC2)c1Br ZINC000671469461 486553792 /nfs/dbraw/zinc/55/37/92/486553792.db2.gz KUONSEVXYVKBCZ-NSHDSACASA-N 0 0 343.269 1.969 10 0 EDAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N[C@@H]1CCCn2ncnc21 ZINC000135266909 491228492 /nfs/dbraw/zinc/22/84/92/491228492.db2.gz WCENIKXYPASNQZ-ZIAGYGMSSA-N 0 0 346.435 1.203 10 0 EDAERN O=C(NCc1ccco1)[C@@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312220 490997391 /nfs/dbraw/zinc/99/73/91/490997391.db2.gz ZSHMMTRBGIQPPY-CYBMUJFWSA-N 0 0 325.372 1.855 10 0 EDAERN COC1(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCOCC1 ZINC000126066444 491013698 /nfs/dbraw/zinc/01/36/98/491013698.db2.gz MBQQJLPKXYTSTD-PBHICJAKSA-N 0 0 326.437 1.519 10 0 EDAERN C[C@H](NC(=O)c1cncc(F)c1)c1ccc(S(N)(=O)=O)s1 ZINC000165264502 533775279 /nfs/dbraw/zinc/77/52/79/533775279.db2.gz LWHPKOLBCKNGFF-ZETCQYMHSA-N 0 0 329.378 1.421 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(N)c(Br)c1)[C@@H]1CCOC1 ZINC000165937178 533967540 /nfs/dbraw/zinc/96/75/40/533967540.db2.gz UEFQRVPEQXEVPM-DTWKUNHWSA-N 0 0 349.250 1.735 10 0 EDAERN COc1ccccc1C(=O)NCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000154935678 533969831 /nfs/dbraw/zinc/96/98/31/533969831.db2.gz YQFXRQRBHXDGJF-OAHLLOKOSA-N 0 0 342.399 1.902 10 0 EDAERN C[C@@H](Cn1nnnc1-c1ccc(Br)c(N)c1)[S@@](C)=O ZINC000166197063 534275708 /nfs/dbraw/zinc/27/57/08/534275708.db2.gz YWKVWJYMKXNXDD-IIYDVTGLSA-N 0 0 344.238 1.452 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@H](C)C2 ZINC000181453143 534445901 /nfs/dbraw/zinc/44/59/01/534445901.db2.gz WYYGELQJYIOGNU-WXYCVUISSA-N 0 0 331.416 1.560 10 0 EDAERN Fc1ccc(-c2noc(CN3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000173955248 534457371 /nfs/dbraw/zinc/45/73/71/534457371.db2.gz MRRWLNUHRGNSFR-HNNXBMFYSA-N 0 0 332.379 1.782 10 0 EDAERN O=C(c1ccc(Br)c(Cl)c1)N1CCOC[C@H]1CO ZINC000168172577 534690677 /nfs/dbraw/zinc/69/06/77/534690677.db2.gz LYDVQYXEGAHRSS-SECBINFHSA-N 0 0 334.597 1.936 10 0 EDAERN [NH3+][C@@H]1CCCC[C@@H]1CNc1nc[n-]c(=O)c1I ZINC000165454894 534707696 /nfs/dbraw/zinc/70/76/96/534707696.db2.gz SWXOFLHOOFIQHD-HTQZYQBOSA-N 0 0 348.188 1.304 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(c2ccccc2)CC1 ZINC000177367718 534806955 /nfs/dbraw/zinc/80/69/55/534806955.db2.gz DHSPLRJMENOKSI-HNNXBMFYSA-N 0 0 326.404 1.645 10 0 EDAERN Cc1csc(N2CCN(C(=O)c3cnn4ccncc34)CC2)n1 ZINC000188612300 526380603 /nfs/dbraw/zinc/38/06/03/526380603.db2.gz DQVSMBGXLNSLAW-UHFFFAOYSA-N 0 0 328.401 1.457 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000190179183 526709636 /nfs/dbraw/zinc/70/96/36/526709636.db2.gz UGMFBHSSKMCDTN-NSHDSACASA-N 0 0 328.372 1.933 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000189736540 526710067 /nfs/dbraw/zinc/71/00/67/526710067.db2.gz FWGXDHJVJHKTNB-OAHLLOKOSA-N 0 0 345.378 1.179 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@]1(C)C(=O)OC ZINC000187670810 526910993 /nfs/dbraw/zinc/91/09/93/526910993.db2.gz PZZAPQTVFICQFU-GOSISDBHSA-N 0 0 328.368 1.667 10 0 EDAERN CC(=O)Nc1cccc([C@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000190147692 527081631 /nfs/dbraw/zinc/08/16/31/527081631.db2.gz UMHQHKDKQLDOOV-NSHDSACASA-N 0 0 344.415 1.626 10 0 EDAERN CC(=O)c1ccc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)nc1 ZINC000181201724 527320036 /nfs/dbraw/zinc/32/00/36/527320036.db2.gz FCQHWPCXVYFPMK-AWEZNQCLSA-N 0 0 327.388 1.934 10 0 EDAERN CCN(C)C(=O)CS(=O)(=O)c1ccc(Br)cc1N ZINC000165758527 527729718 /nfs/dbraw/zinc/72/97/18/527729718.db2.gz FNVCFKUMVDRNGP-UHFFFAOYSA-N 0 0 335.223 1.283 10 0 EDAERN CCC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(C)C ZINC000178642663 527985086 /nfs/dbraw/zinc/98/50/86/527985086.db2.gz RLVNWNBBYJTJTL-IUODEOHRSA-N 0 0 326.462 1.998 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187586887 527992616 /nfs/dbraw/zinc/99/26/16/527992616.db2.gz HOALXYUKNXWHOY-GJZGRUSLSA-N 0 0 338.473 1.931 10 0 EDAERN CC1(O)CCN(S(=O)(=O)c2ccc(Br)cc2N)CC1 ZINC000168472685 528044383 /nfs/dbraw/zinc/04/43/83/528044383.db2.gz MLAWYRPJCUGQNQ-UHFFFAOYSA-N 0 0 349.250 1.567 10 0 EDAERN CCN(CC)C(=O)[C@H](C)Nc1ncc(I)cn1 ZINC000159156934 528059193 /nfs/dbraw/zinc/05/91/93/528059193.db2.gz PXJDVNQHQNRTQO-QMMMGPOBSA-N 0 0 348.188 1.750 10 0 EDAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000131774162 528135051 /nfs/dbraw/zinc/13/50/51/528135051.db2.gz HHSWOZSNTKTANC-HOTGVXAUSA-N 0 0 343.427 1.972 10 0 EDAERN CCOC(=O)c1ccnc(NC(=O)c2ccnc(NC(C)=O)c2)c1 ZINC000170491291 528272426 /nfs/dbraw/zinc/27/24/26/528272426.db2.gz FJORTJCTLWHQBR-UHFFFAOYSA-N 0 0 328.328 1.864 10 0 EDAERN CCOC(C)(C)CNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000187722167 528413466 /nfs/dbraw/zinc/41/34/66/528413466.db2.gz CWZKPLQENOSMEC-QGZVFWFLSA-N 0 0 349.475 1.862 10 0 EDAERN CCCNC(=O)[C@@H]1COCCN1c1ncc(Br)cc1N ZINC000159267052 528434039 /nfs/dbraw/zinc/43/40/39/528434039.db2.gz ZVMWTPHLHLOTAT-NSHDSACASA-N 0 0 343.225 1.158 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173958512 528443249 /nfs/dbraw/zinc/44/32/49/528443249.db2.gz RUDQGPMFRDIMQK-RHSMWYFYSA-N 0 0 345.443 1.828 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H](CCO)c1ccco1)CC2 ZINC000187408454 528480245 /nfs/dbraw/zinc/48/02/45/528480245.db2.gz QHRQSABNOLQKIR-OLZOCXBDSA-N 0 0 347.419 1.732 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c(C)c1 ZINC000130731638 528495859 /nfs/dbraw/zinc/49/58/59/528495859.db2.gz KKZVPUZVNKKWPF-CZUORRHYSA-N 0 0 334.416 2.000 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000154496451 528615728 /nfs/dbraw/zinc/61/57/28/528615728.db2.gz RSRIKSQCTKFGID-KGLIPLIRSA-N 0 0 326.462 1.645 10 0 EDAERN CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000185773459 528629628 /nfs/dbraw/zinc/62/96/28/528629628.db2.gz CAIJOTBYCWJGMV-SMDDNHRTSA-N 0 0 327.388 1.989 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCSCC ZINC000173310366 528807513 /nfs/dbraw/zinc/80/75/13/528807513.db2.gz PCLCGMSTIWDHGR-QWHCGFSZSA-N 0 0 336.523 1.839 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N1CCO[C@H](CO)C1 ZINC000168051014 528828557 /nfs/dbraw/zinc/82/85/57/528828557.db2.gz DFQDZZHMAQFVMB-NSHDSACASA-N 0 0 331.210 1.494 10 0 EDAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171334344 528848847 /nfs/dbraw/zinc/84/88/47/528848847.db2.gz RMAHZSUAVHNYFV-CHWSQXEVSA-N 0 0 337.424 1.386 10 0 EDAERN CCN1CCCN(C(=O)N[C@@H](C)COCc2ccccc2)CC1=O ZINC000189803967 529029247 /nfs/dbraw/zinc/02/92/47/529029247.db2.gz ATHTUSBVGBDBBF-HNNXBMFYSA-N 0 0 333.432 1.856 10 0 EDAERN CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000135079954 529165287 /nfs/dbraw/zinc/16/52/87/529165287.db2.gz DBSKMFNPWFRQMZ-AWEZNQCLSA-N 0 0 347.440 1.843 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)CO ZINC000183913629 529218530 /nfs/dbraw/zinc/21/85/30/529218530.db2.gz VKPPXXJZELRTDQ-WCQYABFASA-N 0 0 328.359 1.575 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccc(F)c(F)c2)CC1 ZINC000190307801 529226541 /nfs/dbraw/zinc/22/65/41/529226541.db2.gz JAUZVJCYOVIGQM-CQSZACIVSA-N 0 0 341.402 1.605 10 0 EDAERN CC[C@](C)(CCO)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000154613304 529357672 /nfs/dbraw/zinc/35/76/72/529357672.db2.gz QCMDECSTJYINGR-IAQYHMDHSA-N 0 0 325.413 1.110 10 0 EDAERN CC(C)(C)c1csc([C@@H]2CN(Cc3nc(N)nc(N)n3)CCO2)n1 ZINC000195399629 535150419 /nfs/dbraw/zinc/15/04/19/535150419.db2.gz UIFVISFMBMHVDS-VIFPVBQESA-N 0 0 349.464 1.364 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@@]12CCCO2 ZINC000333420568 535288864 /nfs/dbraw/zinc/28/88/64/535288864.db2.gz RPAPGJVWUOZJHS-CVYDXHPNSA-N 0 0 348.447 1.849 10 0 EDAERN CCOCCC1(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000132669429 535473007 /nfs/dbraw/zinc/47/30/07/535473007.db2.gz SOPHTXULGJMKHG-HOTGVXAUSA-N 0 0 339.480 1.555 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000195521689 535542249 /nfs/dbraw/zinc/54/22/49/535542249.db2.gz AOAOCVUXDBEYOT-STQMWFEESA-N 0 0 327.450 1.448 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](OC)c1ccccc1)CC2 ZINC000172306631 536164354 /nfs/dbraw/zinc/16/43/54/536164354.db2.gz WXBZPNAPRHRDIK-CABCVRRESA-N 0 0 343.431 1.842 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000081451324 536296393 /nfs/dbraw/zinc/29/63/93/536296393.db2.gz BWLVYAXUFDJZAT-LLVKDONJSA-N 0 0 333.388 1.518 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc2ccn(C)c21)C(C)C ZINC000190571221 536377913 /nfs/dbraw/zinc/37/79/13/536377913.db2.gz JWEOHRMWXYMARL-CYBMUJFWSA-N 0 0 330.388 1.004 10 0 EDAERN COc1ccc2c(c1)N(C(=O)CN1CCCC[C@H](OC)C1=O)CCO2 ZINC000888076603 590931379 /nfs/dbraw/zinc/93/13/79/590931379.db2.gz YJRFHUHATOFBHQ-INIZCTEOSA-N 0 0 348.399 1.448 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000888077572 590933307 /nfs/dbraw/zinc/93/33/07/590933307.db2.gz JIVCUDAMXQKGKN-UKRRQHHQSA-N 0 0 349.412 1.591 10 0 EDAERN COc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)ccc1F ZINC000888093835 591023913 /nfs/dbraw/zinc/02/39/13/591023913.db2.gz XAGDQFKKBQVNMT-DZGCQCFKSA-N 0 0 335.335 1.144 10 0 EDAERN CCc1c[nH]c(=O)c(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000888094927 591025007 /nfs/dbraw/zinc/02/50/07/591025007.db2.gz KAYJRJAKDPQWJI-YKTARERQSA-N 0 0 347.459 1.559 10 0 EDAERN COc1c(C(=O)N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)cnn1C ZINC000888099103 591029156 /nfs/dbraw/zinc/02/91/56/591029156.db2.gz RYJOOKAIBAUZAU-ZBEGNZNMSA-N 0 0 331.376 1.314 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C2CN([C@@H]3CCOC3)C2)no1 ZINC000896710476 591590118 /nfs/dbraw/zinc/59/01/18/591590118.db2.gz OTNAHEAKXBKNDA-KGLIPLIRSA-N 0 0 334.420 1.577 10 0 EDAERN CC(C)CCn1cc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)nn1 ZINC000899079787 591669954 /nfs/dbraw/zinc/66/99/54/591669954.db2.gz YFRLQHZARKIMEH-CQSZACIVSA-N 0 0 343.435 1.880 10 0 EDAERN O=C(COCc1cccnc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899086493 591679057 /nfs/dbraw/zinc/67/90/57/591679057.db2.gz RLEFGYNUWMOWHQ-HNNXBMFYSA-N 0 0 327.388 1.541 10 0 EDAERN Cn1cc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)cn1 ZINC000898220596 591821961 /nfs/dbraw/zinc/82/19/61/591821961.db2.gz AMGQWTLLXBHDRG-KFNAQCHYSA-N 0 0 345.403 1.333 10 0 EDAERN NC(=O)c1ccccc1COC(=O)Cn1ccc(=O)c2ccccc21 ZINC000105561174 595365023 /nfs/dbraw/zinc/36/50/23/595365023.db2.gz CXTWQGAWYKXOJM-UHFFFAOYSA-N 0 0 336.347 1.844 10 0 EDAERN NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000007482021 595551656 /nfs/dbraw/zinc/55/16/56/595551656.db2.gz JIGDPXSDJKJWLS-LBPRGKRZSA-N 0 0 332.381 1.118 10 0 EDAERN CN(C)c1ccnc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)c1 ZINC000858008709 595684916 /nfs/dbraw/zinc/68/49/16/595684916.db2.gz VKFJSRWBWBYVOH-XJKSGUPXSA-N 0 0 343.431 1.779 10 0 EDAERN CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)N2CCOCC2)C1 ZINC000117951751 595875167 /nfs/dbraw/zinc/87/51/67/595875167.db2.gz LREUNKHJFHNZTF-LBPRGKRZSA-N 0 0 339.465 1.779 10 0 EDAERN CCCCOC(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000119213218 596481032 /nfs/dbraw/zinc/48/10/32/596481032.db2.gz NUMCKWKRIOTXTD-AWEZNQCLSA-N 0 0 336.436 1.729 10 0 EDAERN CCCOC(=O)[C@@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000119215625 596483803 /nfs/dbraw/zinc/48/38/03/596483803.db2.gz FYUPEDMLJUTVGM-CQSZACIVSA-N 0 0 336.436 1.647 10 0 EDAERN CCCn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000122931030 596749586 /nfs/dbraw/zinc/74/95/86/596749586.db2.gz LJWHZLGDLHXTCQ-SUMWQHHRSA-N 0 0 334.420 1.385 10 0 EDAERN CCCCN(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1 ZINC000120977245 596839134 /nfs/dbraw/zinc/83/91/34/596839134.db2.gz CURMMZYLLRWGNV-INIZCTEOSA-N 0 0 333.432 1.845 10 0 EDAERN COC(=O)C[C@@H](NC(=O)C(F)(F)C1(O)CCC1)c1ccccc1 ZINC000125393630 597400005 /nfs/dbraw/zinc/40/00/05/597400005.db2.gz HQXAWHYKHULHKM-GFCCVEGCSA-N 0 0 327.327 1.957 10 0 EDAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC[C@@H]1c1ccsc1 ZINC000126589094 597534392 /nfs/dbraw/zinc/53/43/92/597534392.db2.gz RFNJDIRKZRXGGA-QWHCGFSZSA-N 0 0 328.459 1.188 10 0 EDAERN Cn1cc([C@H]2CCCN2Cn2nc(CO)n(C3CC3)c2=S)cn1 ZINC000132395883 597837521 /nfs/dbraw/zinc/83/75/21/597837521.db2.gz PTXOQIYYAQBKDE-CYBMUJFWSA-N 0 0 334.449 1.769 10 0 EDAERN Cn1ncc2c1nnn(CN1CCCC[C@H]1c1nccs1)c2=O ZINC000132523928 597859979 /nfs/dbraw/zinc/85/99/79/597859979.db2.gz XANLHGAYDQUYMP-NSHDSACASA-N 0 0 331.405 1.166 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCNC(=O)c1ccccc1 ZINC000174771879 695489525 /nfs/dbraw/zinc/48/95/25/695489525.db2.gz OOAPKPZTQGAEJS-GFCCVEGCSA-N 0 0 330.340 1.371 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OC1CCN(C=O)CC1 ZINC000181916280 700174648 /nfs/dbraw/zinc/17/46/48/700174648.db2.gz KOERRKRWYWKJKD-YOEHRIQHSA-N 0 0 346.427 1.995 10 0 EDAERN CCc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180168759 698634524 /nfs/dbraw/zinc/63/45/24/698634524.db2.gz SOSMPDUCGZHIED-GOSISDBHSA-N 0 0 342.443 1.474 10 0 EDAERN O=C(N[C@@H]1CCCNC1=O)c1cc(Br)cnc1Cl ZINC000050397651 214055576 /nfs/dbraw/zinc/05/55/76/214055576.db2.gz ZKPNUBKORUQYCT-MRVPVSSYSA-N 0 0 332.585 1.506 10 0 EDAERN CCN(c1ccccc1N)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050453690 214057833 /nfs/dbraw/zinc/05/78/33/214057833.db2.gz WFLSYULDDJNXSK-UHFFFAOYSA-N 0 0 332.447 1.002 10 0 EDAERN Nc1ccn(CC(=O)Nc2ccc(I)cc2)n1 ZINC000050466158 214057861 /nfs/dbraw/zinc/05/78/61/214057861.db2.gz BHDKVRIWFLKOSA-UHFFFAOYSA-N 0 0 342.140 1.709 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2nc(-c3nccn3C)cs2)C[C@H](C)O1 ZINC000125581987 222580099 /nfs/dbraw/zinc/58/00/99/222580099.db2.gz FWGHHRFWDWBOGL-UWVGGRQHSA-N 0 0 349.416 1.118 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1O ZINC000051994559 214111617 /nfs/dbraw/zinc/11/16/17/214111617.db2.gz OBPGQXHFXRRMBA-GHMZBOCLSA-N 0 0 349.250 1.613 10 0 EDAERN CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1C[C@@H]1C ZINC000052302106 214125704 /nfs/dbraw/zinc/12/57/04/214125704.db2.gz ISVDIIMNSDILTC-JOYOIKCWSA-N 0 0 332.447 1.209 10 0 EDAERN C[C@H](NC(=O)N(C)CCO)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000153562226 299070327 /nfs/dbraw/zinc/07/03/27/299070327.db2.gz QVIIKJMWXHKLTA-WMLDXEAASA-N 0 0 336.432 1.946 10 0 EDAERN COCCN[C@@H](CO)c1cc(OC)c(OC)cc1Br ZINC000053292726 214175744 /nfs/dbraw/zinc/17/57/44/214175744.db2.gz VLEGQMXKZUWZBF-NSHDSACASA-N 0 0 334.210 1.736 10 0 EDAERN CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000053205772 214170229 /nfs/dbraw/zinc/17/02/29/214170229.db2.gz LAPMOIGPLMYYLD-VIFPVBQESA-N 0 0 335.832 1.776 10 0 EDAERN Ic1ccc(-c2nnc3n2CCNC3)cc1 ZINC000053709531 214195033 /nfs/dbraw/zinc/19/50/33/214195033.db2.gz QTYLJCAXEUAQGF-UHFFFAOYSA-N 0 0 326.141 1.653 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=S ZINC000054154331 214220348 /nfs/dbraw/zinc/22/03/48/214220348.db2.gz WPSPEWAFBQWTDT-ZETCQYMHSA-N 0 0 326.365 1.906 10 0 EDAERN CC[C@@H](C)Oc1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)ccn1 ZINC000180465796 529382075 /nfs/dbraw/zinc/38/20/75/529382075.db2.gz FSQCQDMYKDEARZ-TZMCWYRMSA-N 0 0 344.419 1.665 10 0 EDAERN CNS(=O)(=O)c1cc(NC(=O)c2csc(N)n2)ccc1C ZINC000055186398 214285275 /nfs/dbraw/zinc/28/52/75/214285275.db2.gz TUHJSTBDRFOAIF-UHFFFAOYSA-N 0 0 326.403 1.194 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3C)CCO2)[nH]1 ZINC000173535497 230964151 /nfs/dbraw/zinc/96/41/51/230964151.db2.gz ASGISFKBEXTBAT-ZDUSSCGKSA-N 0 0 332.408 1.587 10 0 EDAERN Cc1cc(N2CC[C@@H](N3CCC(Cn4cccn4)CC3)C2=O)n(C)n1 ZINC000173693955 231008035 /nfs/dbraw/zinc/00/80/35/231008035.db2.gz SBXVOLZJZVUHGL-MRXNPFEDSA-N 0 0 342.447 1.443 10 0 EDAERN O[C@@H](c1cc2c(cc1Br)OCCO2)[C@@H]1COCCO1 ZINC000055303418 214303714 /nfs/dbraw/zinc/30/37/14/214303714.db2.gz PLOVNZPVTZYUHQ-STQMWFEESA-N 0 0 331.162 1.669 10 0 EDAERN COc1cc(Br)c([C@@H](O)[C@@H]2COCCO2)cc1OC ZINC000055303329 214304252 /nfs/dbraw/zinc/30/42/52/214304252.db2.gz KTQVJIZRQULHLB-QWHCGFSZSA-N 0 0 333.178 1.915 10 0 EDAERN O=c1[nH]c2cc(Br)c([C@H](O)[C@H]3COCCO3)cc2[nH]1 ZINC000055303704 214304279 /nfs/dbraw/zinc/30/42/79/214304279.db2.gz BZMKHMHFSAANDP-MNOVXSKESA-N 0 0 329.150 1.068 10 0 EDAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000173721309 231014667 /nfs/dbraw/zinc/01/46/67/231014667.db2.gz VYZQQBIHDVIFKH-LLVKDONJSA-N 0 0 326.447 1.753 10 0 EDAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)CCC(C)C)C2=O)n(C)n1 ZINC000174043353 231106201 /nfs/dbraw/zinc/10/62/01/231106201.db2.gz XYSPCFCPICBWAW-CYBMUJFWSA-N 0 0 342.465 1.189 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccc3n[nH]cc3c2)cn1 ZINC000174836192 231321126 /nfs/dbraw/zinc/32/11/26/231321126.db2.gz XCSATTKQSRBJET-OAHLLOKOSA-N 0 0 338.371 1.599 10 0 EDAERN CNc1nc(CCNS(=O)(=O)c2ccc(OC)cc2)cs1 ZINC000049717677 214028817 /nfs/dbraw/zinc/02/88/17/214028817.db2.gz BZABWWHTSNPRCK-UHFFFAOYSA-N 0 0 327.431 1.714 10 0 EDAERN Cc1cc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccccc2)no1 ZINC000049676414 214026443 /nfs/dbraw/zinc/02/64/43/214026443.db2.gz FQUPBIYSXGXTFY-LBPRGKRZSA-N 0 0 349.368 1.301 10 0 EDAERN CCc1csc([C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC000179497402 529692345 /nfs/dbraw/zinc/69/23/45/529692345.db2.gz UDJSSCCEZOOTAR-LLVKDONJSA-N 0 0 335.433 1.007 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000181148586 529698872 /nfs/dbraw/zinc/69/88/72/529698872.db2.gz XIXDZDGLXBFTQE-KRWDZBQOSA-N 0 0 343.431 1.793 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Nc3cccc(N(C)C)n3)CCO2)[nH]1 ZINC000152725904 529701015 /nfs/dbraw/zinc/70/10/15/529701015.db2.gz XUDPGDPLCAICSN-LLVKDONJSA-N 0 0 345.407 1.434 10 0 EDAERN COC(=O)CN(C)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000061531219 214665339 /nfs/dbraw/zinc/66/53/39/214665339.db2.gz HMSIXDPLOGWUCU-AWEZNQCLSA-N 0 0 340.807 1.726 10 0 EDAERN CCOc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 ZINC000061978023 214690503 /nfs/dbraw/zinc/69/05/03/214690503.db2.gz CYDMGTVDNLJYNJ-UHFFFAOYSA-N 0 0 330.344 1.067 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccn(C3CCCC3)n1)CC2 ZINC000155009128 529751029 /nfs/dbraw/zinc/75/10/29/529751029.db2.gz FBCZDEWYZCUVHG-LBPRGKRZSA-N 0 0 328.420 1.897 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)C(=O)OC(C)C)CC2 ZINC000174961945 529751364 /nfs/dbraw/zinc/75/13/64/529751364.db2.gz CAHHZZIBVONQJC-NWDGAFQWSA-N 0 0 337.424 1.042 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2c(OC)ncnc2OC)C1 ZINC000171810371 529760598 /nfs/dbraw/zinc/76/05/98/529760598.db2.gz ODRIGCYRQYBJOC-GFCCVEGCSA-N 0 0 345.403 1.730 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2cc(Cl)cc3c2OCC3)C1 ZINC000183324002 529783605 /nfs/dbraw/zinc/78/36/05/529783605.db2.gz RJARZSOVGHRQFU-AWEZNQCLSA-N 0 0 339.823 1.405 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2ccccc2OCC2CC2)C1 ZINC000154723017 529789319 /nfs/dbraw/zinc/78/93/19/529789319.db2.gz YZQOMLGTXASIBC-MRXNPFEDSA-N 0 0 333.432 1.605 10 0 EDAERN CN(C)c1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)n1 ZINC000153328094 529791656 /nfs/dbraw/zinc/79/16/56/529791656.db2.gz WOYYAZSYASRIAJ-HNNXBMFYSA-N 0 0 341.415 1.043 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000153819816 539364647 /nfs/dbraw/zinc/36/46/47/539364647.db2.gz BCPUQDNHWRPXRB-OLZOCXBDSA-N 0 0 332.466 1.264 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccccc1Cn1cccn1 ZINC000155323293 529923825 /nfs/dbraw/zinc/92/38/25/529923825.db2.gz BGHWVOMEXQAFKH-MRXNPFEDSA-N 0 0 341.415 1.351 10 0 EDAERN COCCn1ccc(NC(=O)[C@H](C)NC(=O)Nc2ccccc2)n1 ZINC000101531091 219132269 /nfs/dbraw/zinc/13/22/69/219132269.db2.gz NXJPPVUUYMTTIU-LBPRGKRZSA-N 0 0 331.376 1.678 10 0 EDAERN COc1ccc(CNC(=O)c2nc3nn(C)cc3c(N(C)C)n2)cc1 ZINC000065284454 214861228 /nfs/dbraw/zinc/86/12/28/214861228.db2.gz YOXKVSOEGFIGLW-UHFFFAOYSA-N 0 0 340.387 1.368 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1CC ZINC000246064290 539532396 /nfs/dbraw/zinc/53/23/96/539532396.db2.gz WTWYONSMTUBWBN-HZPDHXFCSA-N 0 0 348.509 1.318 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)Cc2cc[nH]n2)c2cccs2)CCO1 ZINC000246679468 539638139 /nfs/dbraw/zinc/63/81/39/539638139.db2.gz DEUQLHDSNVAVSU-GXTWGEPZSA-N 0 0 334.445 1.592 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000067929103 215252587 /nfs/dbraw/zinc/25/25/87/215252587.db2.gz DHNXKQQZNZKSQO-ZQIUZPCESA-N 0 0 346.427 1.731 10 0 EDAERN CCCCC(=O)NCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000041428619 213445651 /nfs/dbraw/zinc/44/56/51/213445651.db2.gz KIHFJQUCLWGJCK-UHFFFAOYSA-N 0 0 334.416 1.895 10 0 EDAERN Cc1cc(NC(=O)CNS(=O)(=O)c2ccccc2Cl)no1 ZINC000041427441 213445518 /nfs/dbraw/zinc/44/55/18/213445518.db2.gz SNWGAHRIHXJPAY-UHFFFAOYSA-N 0 0 329.765 1.553 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000151075734 539737999 /nfs/dbraw/zinc/73/79/99/539737999.db2.gz HWXBKUQCSVUSBP-TZMCWYRMSA-N 0 0 339.399 1.918 10 0 EDAERN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000041230381 213433548 /nfs/dbraw/zinc/43/35/48/213433548.db2.gz GRLGZBCHIDEDAP-LLVKDONJSA-N 0 0 344.289 1.965 10 0 EDAERN COc1ccccc1CCNC(=O)CCS(=O)(=O)N1CCCC1 ZINC000041225770 213432385 /nfs/dbraw/zinc/43/23/85/213432385.db2.gz NGSIFAOYSTVFMW-UHFFFAOYSA-N 0 0 340.445 1.170 10 0 EDAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N[C@H]1CCCC[C@@H]1CO ZINC000151844498 539771690 /nfs/dbraw/zinc/77/16/90/539771690.db2.gz RILNUUZNWSZMCA-OAGGEKHMSA-N 0 0 337.464 1.628 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NCC1CCOCC1 ZINC000104201052 219359513 /nfs/dbraw/zinc/35/95/13/219359513.db2.gz YEJWIAPFHYOMCZ-UHFFFAOYSA-N 0 0 349.250 1.736 10 0 EDAERN COCCS(=O)(=O)NC[C@@H](c1ccco1)N1CCCCCC1 ZINC000040654153 213365316 /nfs/dbraw/zinc/36/53/16/213365316.db2.gz WQHMBNNNWIRRIC-AWEZNQCLSA-N 0 0 330.450 1.763 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@]3(O)CCSC3)CC2)cs1 ZINC000152739614 539829900 /nfs/dbraw/zinc/82/99/00/539829900.db2.gz SGTMHQBLHXKTGY-HNNXBMFYSA-N 0 0 341.502 1.354 10 0 EDAERN O=C([O-])C[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000040550660 213347350 /nfs/dbraw/zinc/34/73/50/213347350.db2.gz HELYODHYCJLGMS-UHFFFAOYSA-N 0 0 342.193 1.683 10 0 EDAERN O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180974523 234049648 /nfs/dbraw/zinc/04/96/48/234049648.db2.gz VVSNTAOPPGDDPB-AWEZNQCLSA-N 0 0 338.408 1.659 10 0 EDAERN COCCn1cc(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000181351481 234159683 /nfs/dbraw/zinc/15/96/83/234159683.db2.gz CWJJAWORGGINDC-LBPRGKRZSA-N 0 0 347.423 1.381 10 0 EDAERN Cn1nccc1C1CCN(C(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000182458137 234621735 /nfs/dbraw/zinc/62/17/35/234621735.db2.gz NJLOYZRIUMZSJK-UHFFFAOYSA-N 0 0 348.447 1.993 10 0 EDAERN COC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000183038207 234865477 /nfs/dbraw/zinc/86/54/77/234865477.db2.gz CWBVMONYMDDLEB-NOZJJQNGSA-N 0 0 328.771 1.983 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000166709906 540077073 /nfs/dbraw/zinc/07/70/73/540077073.db2.gz WNUHZQOVWGPBMM-SNVBAGLBSA-N 0 0 344.198 1.669 10 0 EDAERN CC(C)(C)CC(=O)NCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811329 219537105 /nfs/dbraw/zinc/53/71/05/219537105.db2.gz DQIGPPKCRWPHFH-UHFFFAOYSA-N 0 0 333.436 1.068 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000182547721 540133135 /nfs/dbraw/zinc/13/31/35/540133135.db2.gz ZDRMOJBMQCHBDW-HNNXBMFYSA-N 0 0 343.427 1.631 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCCCn2ccnn2)[C@@H]1c1ccccc1 ZINC000183021495 540135717 /nfs/dbraw/zinc/13/57/17/540135717.db2.gz YQXGVTUQXMZWEV-WBVHZDCISA-N 0 0 341.415 1.394 10 0 EDAERN Cc1nccc(N2CCN(C[C@@H](O)COCc3ccccc3)CC2)n1 ZINC000183785137 235225437 /nfs/dbraw/zinc/22/54/37/235225437.db2.gz WZERUZKPCMEHOR-GOSISDBHSA-N 0 0 342.443 1.485 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000189027923 540163180 /nfs/dbraw/zinc/16/31/80/540163180.db2.gz DPEWHFCBKBZHTE-PWSUYJOCSA-N 0 0 338.433 1.530 10 0 EDAERN CCOc1cnc(C(=O)N2CCC[C@@H](c3nncn3CC)C2)cn1 ZINC000189320872 540164496 /nfs/dbraw/zinc/16/44/96/540164496.db2.gz SYKFGQVFJFSWBT-GFCCVEGCSA-N 0 0 330.392 1.507 10 0 EDAERN CC(=O)N[C@H](c1cccc(Br)c1)N1CCN(C)CC1 ZINC000038287182 213206913 /nfs/dbraw/zinc/20/69/13/213206913.db2.gz DVDQJKYXOJHIFS-AWEZNQCLSA-N 0 0 326.238 1.831 10 0 EDAERN C[C@H]1CN(c2ccccc2F)CCN1C[C@H](O)CN1CCCC1=O ZINC000191635216 540175035 /nfs/dbraw/zinc/17/50/35/540175035.db2.gz DKUVKPZAKQFBFN-GJZGRUSLSA-N 0 0 335.423 1.320 10 0 EDAERN Cc1noc([C@H](C)N2CCN(c3ncnc4onc(C)c43)CC2)n1 ZINC000193394474 540182321 /nfs/dbraw/zinc/18/23/21/540182321.db2.gz BQYPIWWGBBBSCL-JTQLQIEISA-N 0 0 329.364 1.501 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000184396624 235387254 /nfs/dbraw/zinc/38/72/54/235387254.db2.gz BROPTZRDWWGSPJ-GFCCVEGCSA-N 0 0 335.408 1.405 10 0 EDAERN CS(=O)(=O)CCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl ZINC000038085756 213201507 /nfs/dbraw/zinc/20/15/07/213201507.db2.gz QQBYPZBBUIJEAU-UHFFFAOYSA-N 0 0 348.229 1.064 10 0 EDAERN C[C@@H](CNC(=O)NCCCCN(C)c1ccccc1)N1CCOCC1 ZINC000054643647 138144170 /nfs/dbraw/zinc/14/41/70/138144170.db2.gz YNSOKVUTKFRRIT-KRWDZBQOSA-N 0 0 348.491 1.923 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cccc(-c3csc(C)n3)c2)C1 ZINC000185291150 235634673 /nfs/dbraw/zinc/63/46/73/235634673.db2.gz AMIYOWUOJDGCRR-UHFFFAOYSA-N 0 0 345.424 1.706 10 0 EDAERN O=C(NCCn1c(=O)oc2ccccc21)NC[C@H]1CCCC[C@H]1O ZINC000077823628 138255391 /nfs/dbraw/zinc/25/53/91/138255391.db2.gz YKAARXYYIAXKJV-TZMCWYRMSA-N 0 0 333.388 1.445 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000083739801 138269374 /nfs/dbraw/zinc/26/93/74/138269374.db2.gz HUAHWLKQVRBUGB-CHWSQXEVSA-N 0 0 349.435 1.795 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)NC1CCCCC1 ZINC000083715693 138269428 /nfs/dbraw/zinc/26/94/28/138269428.db2.gz NQLPWGOZZXPUMH-CYBMUJFWSA-N 0 0 334.424 1.170 10 0 EDAERN COc1cccc(CS(=O)(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000081074140 138265525 /nfs/dbraw/zinc/26/55/25/138265525.db2.gz PQANVTWHRYLKPY-AWEZNQCLSA-N 0 0 336.417 1.550 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000091780423 138284968 /nfs/dbraw/zinc/28/49/68/138284968.db2.gz GROJFYPXUTXWNI-OAHLLOKOSA-N 0 0 345.786 1.728 10 0 EDAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091785551 138285008 /nfs/dbraw/zinc/28/50/08/138285008.db2.gz DATKJVDYUVQVPA-UFBFGSQYSA-N 0 0 347.198 1.473 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1OC ZINC000096998457 138296319 /nfs/dbraw/zinc/29/63/19/138296319.db2.gz VOCLGCMXYLZNMX-ZDUSSCGKSA-N 0 0 344.408 1.977 10 0 EDAERN COCCN1CCN(C(=O)N[C@H]2CCCc3cc(F)ccc32)CC1=O ZINC000092319795 138288012 /nfs/dbraw/zinc/28/80/12/138288012.db2.gz OVXVXUIWXBWMJL-INIZCTEOSA-N 0 0 349.406 1.703 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010369 213188601 /nfs/dbraw/zinc/18/86/01/213188601.db2.gz BZTDRFKWETYZOU-JTQLQIEISA-N 0 0 326.399 1.027 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccnc(-n3cccn3)c2)c1 ZINC000118058544 138312701 /nfs/dbraw/zinc/31/27/01/138312701.db2.gz DTZWQICYTPMUCC-UHFFFAOYSA-N 0 0 325.376 1.272 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)NCCOCC)CC2)cn1 ZINC000119747691 138314563 /nfs/dbraw/zinc/31/45/63/138314563.db2.gz WNDFGBYREROGCH-UHFFFAOYSA-N 0 0 337.468 1.547 10 0 EDAERN CCc1noc(CC)c1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000119778847 138314761 /nfs/dbraw/zinc/31/47/61/138314761.db2.gz ZULOBHOXWOOGQE-CYBMUJFWSA-N 0 0 331.420 1.872 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H](C)OCCC(C)C)CC2)no1 ZINC000109923187 138306640 /nfs/dbraw/zinc/30/66/40/138306640.db2.gz LCNFMEMDVRECFQ-CQSZACIVSA-N 0 0 338.452 1.864 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOc1cccc(C=O)c1)CC2 ZINC000114871650 138310789 /nfs/dbraw/zinc/31/07/89/138310789.db2.gz BHCMCRASVPFCMF-AWEZNQCLSA-N 0 0 342.399 1.553 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCSCc1ccccn1)CC2 ZINC000114872732 138310845 /nfs/dbraw/zinc/31/08/45/138310845.db2.gz RNLXJPHXKWLVRO-CYBMUJFWSA-N 0 0 345.472 1.990 10 0 EDAERN C[C@H](CNC(=O)Nc1cccnc1OCC(F)F)N1CCOCC1 ZINC000122986393 138318670 /nfs/dbraw/zinc/31/86/70/138318670.db2.gz IQQMPXIUPZLETF-LLVKDONJSA-N 0 0 344.362 1.568 10 0 EDAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123414331 138318845 /nfs/dbraw/zinc/31/88/45/138318845.db2.gz IXNONLWTCGPLGU-UGSOOPFHSA-N 0 0 342.399 1.655 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)c1ccccc1 ZINC000125388632 138333518 /nfs/dbraw/zinc/33/35/18/138333518.db2.gz ICVWLBZCVHFUTA-CYBMUJFWSA-N 0 0 329.356 1.421 10 0 EDAERN C[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)N1CCCCC1 ZINC000037791076 213166861 /nfs/dbraw/zinc/16/68/61/213166861.db2.gz PMSGYSMIAOMGIF-SECBINFHSA-N 0 0 328.210 1.908 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000131832676 138366618 /nfs/dbraw/zinc/36/66/18/138366618.db2.gz FIATUVGDKQYSMF-FZMZJTMJSA-N 0 0 332.404 1.668 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000132537491 138378290 /nfs/dbraw/zinc/37/82/90/138378290.db2.gz DJCOEPSHERXUKG-UGUYLWEFSA-N 0 0 325.453 1.305 10 0 EDAERN CCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000037011242 213130221 /nfs/dbraw/zinc/13/02/21/213130221.db2.gz YENMOVLNGPNONZ-UHFFFAOYSA-N 0 0 326.827 1.529 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCC(C)(C)CO ZINC000136010200 138430418 /nfs/dbraw/zinc/43/04/18/138430418.db2.gz GINKSADJRJRXRV-LBPRGKRZSA-N 0 0 339.440 1.357 10 0 EDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2cnn(CC(F)F)c2)cn1 ZINC000186899486 236058302 /nfs/dbraw/zinc/05/83/02/236058302.db2.gz FYMWBLPUXDVAIN-GFCCVEGCSA-N 0 0 345.375 1.408 10 0 EDAERN CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1c(N)ncn1C ZINC000070085562 215674832 /nfs/dbraw/zinc/67/48/32/215674832.db2.gz FQPZBMHCCUSDKA-UHFFFAOYSA-N 0 0 328.825 1.867 10 0 EDAERN Nc1ccc(SCCS(=O)(=O)NC2CCC(O)CC2)cc1 ZINC000070214244 215682726 /nfs/dbraw/zinc/68/27/26/215682726.db2.gz RBJDYIPIILAOAY-UHFFFAOYSA-N 0 0 330.475 1.584 10 0 EDAERN CCOCCCNS(=O)(=O)c1ccc(N)c(Br)c1 ZINC000070216945 215683383 /nfs/dbraw/zinc/68/33/83/215683383.db2.gz FYKIKLDWDQNNDM-UHFFFAOYSA-N 0 0 337.239 1.736 10 0 EDAERN C[C@@H]1CSCCN1S(=O)(=O)Cc1ccccc1C(N)=S ZINC000070222562 215684027 /nfs/dbraw/zinc/68/40/27/215684027.db2.gz SSGMUFRQFIRQSK-SNVBAGLBSA-N 0 0 330.500 1.588 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CCO[C@H](C)C3)[nH]c(=O)n2)cc1 ZINC000036236790 213079162 /nfs/dbraw/zinc/07/91/62/213079162.db2.gz ASUVKLHTVKKDQZ-LLVKDONJSA-N 0 0 329.356 1.306 10 0 EDAERN COCCN([C@@H]1CCSC1)S(=O)(=O)c1cccc(F)c1N ZINC000070445854 215691102 /nfs/dbraw/zinc/69/11/02/215691102.db2.gz LKDAJZJLUVASLL-SNVBAGLBSA-N 0 0 334.438 1.551 10 0 EDAERN COCCCNC(=O)CCc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000036174691 213074455 /nfs/dbraw/zinc/07/44/55/213074455.db2.gz XSRADYPDGJUPAT-UHFFFAOYSA-N 0 0 348.399 1.631 10 0 EDAERN NS(=O)(=O)c1ccc(CCCNC(=O)c2ccc(F)cc2)cc1 ZINC000036134570 213073167 /nfs/dbraw/zinc/07/31/67/213073167.db2.gz UJHOXRJQWGMRCB-UHFFFAOYSA-N 0 0 336.388 1.836 10 0 EDAERN CCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)OC(C)(C)C ZINC000155358754 138535808 /nfs/dbraw/zinc/53/58/08/138535808.db2.gz LCVNOFONQQZVQI-HNNXBMFYSA-N 0 0 348.443 1.972 10 0 EDAERN O=C(CN1CCO[C@H]2CCCC[C@@H]21)NC1CCC2(CC1)OCCO2 ZINC000070693949 215706248 /nfs/dbraw/zinc/70/62/48/215706248.db2.gz GDMBZCKJYUNQKI-HOTGVXAUSA-N 0 0 338.448 1.432 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)N[C@H]1CCCC[C@H]1CO ZINC000157197323 138568188 /nfs/dbraw/zinc/56/81/88/138568188.db2.gz DHEHYFSAOUKHRP-HZMBPMFUSA-N 0 0 326.343 1.362 10 0 EDAERN O=C(NC1CN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1)C1CC1 ZINC000187979303 236369174 /nfs/dbraw/zinc/36/91/74/236369174.db2.gz ZLTSVCUKFASKTJ-IEBWSBKVSA-N 0 0 344.455 1.652 10 0 EDAERN Nc1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)c(Br)c1 ZINC000035612012 213042925 /nfs/dbraw/zinc/04/29/25/213042925.db2.gz COYFYABRCPBCNX-SECBINFHSA-N 0 0 335.223 1.177 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3cccnc3)CC2)no1 ZINC000105866817 138608602 /nfs/dbraw/zinc/60/86/02/138608602.db2.gz HXRPCXWECRNVFV-UHFFFAOYSA-N 0 0 330.392 1.191 10 0 EDAERN Cc1ccccc1CC(=O)N1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000157720375 138630034 /nfs/dbraw/zinc/63/00/34/138630034.db2.gz OHXOLWWTBAXKOR-SFHVURJKSA-N 0 0 348.487 1.858 10 0 EDAERN O=C([O-])CC[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000035385934 213024800 /nfs/dbraw/zinc/02/48/00/213024800.db2.gz PGPXQTJKPCFSBN-UHFFFAOYSA-N 0 0 336.207 1.287 10 0 EDAERN [NH3+][C@H](CSCc1cc2c(cc1Br)OCCO2)C(=O)[O-] ZINC000035084267 213007408 /nfs/dbraw/zinc/00/74/08/213007408.db2.gz NRBGCGPUFKVGJX-SECBINFHSA-N 0 0 348.218 1.865 10 0 EDAERN CCC[C@H](C)N1C[C@@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1=O ZINC000173538918 138671323 /nfs/dbraw/zinc/67/13/23/138671323.db2.gz GFJCCJHTADMUAL-UBHSHLNASA-N 0 0 349.435 1.050 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000175440046 138695571 /nfs/dbraw/zinc/69/55/71/138695571.db2.gz RPNIQDPWRODJQR-MRXNPFEDSA-N 0 0 336.436 1.561 10 0 EDAERN COc1ccccc1CCNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000175626349 138698109 /nfs/dbraw/zinc/69/81/09/138698109.db2.gz RZTQTAOGLMOCGC-CQSZACIVSA-N 0 0 329.404 1.972 10 0 EDAERN Cc1ccccc1OCCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175704370 138698848 /nfs/dbraw/zinc/69/88/48/138698848.db2.gz WKOWJHZYIDVJJD-SJORKVTESA-N 0 0 347.459 1.736 10 0 EDAERN COc1nccnc1N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 ZINC000032593276 212814204 /nfs/dbraw/zinc/81/42/04/212814204.db2.gz KGQBNBHPCDPQEG-UHFFFAOYSA-N 0 0 342.355 1.063 10 0 EDAERN O=C(Nn1cnnc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000181430763 138768429 /nfs/dbraw/zinc/76/84/29/138768429.db2.gz CBCCQECMTURPGP-GNFNDJEDSA-N 0 0 343.431 1.556 10 0 EDAERN CC(=O)c1cn(CC(=O)N2CCC[C@@](O)(CO)C2)c2ccccc12 ZINC000072161662 216050569 /nfs/dbraw/zinc/05/05/69/216050569.db2.gz WQSONLAVPHDINL-SFHVURJKSA-N 0 0 330.384 1.190 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000183122425 138781730 /nfs/dbraw/zinc/78/17/30/138781730.db2.gz LQNXVHLAQMUSDY-SJORKVTESA-N 0 0 349.479 1.684 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)NCc2ccccc2C)n1 ZINC000185068040 138800664 /nfs/dbraw/zinc/80/06/64/138800664.db2.gz CXNBLZHPLIHKKM-HNNXBMFYSA-N 0 0 330.388 1.376 10 0 EDAERN Cc1nc2ncnn2c2ccn(CCC3CCC(O)CC3)c(=O)c12 ZINC000072449341 216238830 /nfs/dbraw/zinc/23/88/30/216238830.db2.gz KVOKWDHTFJREOE-UHFFFAOYSA-N 0 0 327.388 1.689 10 0 EDAERN C[C@](NC[C@H]1CCCO1)(C(N)=O)c1ccccc1Br ZINC000037950525 213176715 /nfs/dbraw/zinc/17/67/15/213176715.db2.gz WTENRUUAEQWXFJ-QMTHXVAHSA-N 0 0 327.222 1.918 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C12CCOCC2 ZINC000186452719 138816695 /nfs/dbraw/zinc/81/66/95/138816695.db2.gz MGJDCZZXTFBBGK-HUUCEWRRSA-N 0 0 333.432 1.993 10 0 EDAERN CCn1cc(C2CCN(C(=O)Cn3c(C)cc(O)cc3=O)CC2)cn1 ZINC000131566041 223246700 /nfs/dbraw/zinc/24/67/00/223246700.db2.gz HXMMUFXHDZFABC-UHFFFAOYSA-N 0 0 344.415 1.485 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)C1)C1CC1 ZINC000186790788 138820469 /nfs/dbraw/zinc/82/04/69/138820469.db2.gz NSUWCJHKALLKFC-SJORKVTESA-N 0 0 343.427 1.827 10 0 EDAERN C[C@@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000073053245 216344808 /nfs/dbraw/zinc/34/48/08/216344808.db2.gz DTMWHBGHLHQEPE-LLVKDONJSA-N 0 0 341.358 1.526 10 0 EDAERN O=C([O-])c1ccc(-n2ncc(N[C@@H]3CCC[NH2+]C3)c(Cl)c2=O)cc1 ZINC000073736254 216418709 /nfs/dbraw/zinc/41/87/09/216418709.db2.gz GVNDHZLYDGRZQW-LLVKDONJSA-N 0 0 348.790 1.748 10 0 EDAERN O=C(NCCn1ccnc1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000132268614 223314991 /nfs/dbraw/zinc/31/49/91/223314991.db2.gz XXWLKJCJDKTEEB-WFASDCNBSA-N 0 0 336.342 1.679 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000132310300 223318781 /nfs/dbraw/zinc/31/87/81/223318781.db2.gz FWPZSUVWQJADNM-CYBMUJFWSA-N 0 0 345.403 1.680 10 0 EDAERN C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000023445758 212378502 /nfs/dbraw/zinc/37/85/02/212378502.db2.gz XEQAIXCMLISHNC-GFCCVEGCSA-N 0 0 347.440 1.891 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N(C)CC1(CO)CC1)C(C)C ZINC000189143146 138862388 /nfs/dbraw/zinc/86/23/88/138862388.db2.gz PUSCJNIFWIMHGW-INIZCTEOSA-N 0 0 332.444 1.980 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000189216127 138864220 /nfs/dbraw/zinc/86/42/20/138864220.db2.gz CDNDCHMOVDBECJ-GXTWGEPZSA-N 0 0 340.387 1.380 10 0 EDAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N[C@@H]1CCc2ncnn2C1 ZINC000132503003 223337739 /nfs/dbraw/zinc/33/77/39/223337739.db2.gz OZLBGRIOABYSBG-GFCCVEGCSA-N 0 0 326.360 1.299 10 0 EDAERN C[C@@H](CC(=O)NC[C@H](O)CN1CCOCC1)c1ccc(F)cc1F ZINC000132918714 223373763 /nfs/dbraw/zinc/37/37/63/223373763.db2.gz HINZOHXUHNRVOS-JSGCOSHPSA-N 0 0 342.386 1.268 10 0 EDAERN O=C(NCC1CCOCC1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 ZINC000096186953 283949388 /nfs/dbraw/zinc/94/93/88/283949388.db2.gz ABEIPXYZWBVVPS-OAGGEKHMSA-N 0 0 346.431 1.146 10 0 EDAERN Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1C(C)C ZINC000021702334 212240675 /nfs/dbraw/zinc/24/06/75/212240675.db2.gz QRKQTWDNSPJBKA-UHFFFAOYSA-N 0 0 341.477 1.446 10 0 EDAERN NNc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1N ZINC000021036127 212202224 /nfs/dbraw/zinc/20/22/24/212202224.db2.gz QSYYFNMPDMDDFS-UHFFFAOYSA-N 0 0 348.219 1.315 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000191368623 138911954 /nfs/dbraw/zinc/91/19/54/138911954.db2.gz ZSFBVTJTJMFYLT-NSHDSACASA-N 0 0 338.477 1.903 10 0 EDAERN CCOC(=O)[C@](NC(=O)CC(C)C)(N1CCOCC1)C(F)(F)F ZINC000020609026 212153943 /nfs/dbraw/zinc/15/39/43/212153943.db2.gz LWSWPHDXERGTPS-ZDUSSCGKSA-N 0 0 340.342 1.303 10 0 EDAERN Cc1nnnn1-c1cccc(NCc2nnnn2CC(F)(F)F)c1 ZINC000191554210 138917372 /nfs/dbraw/zinc/91/73/72/138917372.db2.gz IDWARZXGWKYCHK-UHFFFAOYSA-N 0 0 339.285 1.132 10 0 EDAERN CC(C)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000020354473 212121516 /nfs/dbraw/zinc/12/15/16/212121516.db2.gz CIBZZLJKKKKJQA-AWEZNQCLSA-N 0 0 337.464 1.397 10 0 EDAERN CCCNc1ccc(CNC(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000192577156 138948236 /nfs/dbraw/zinc/94/82/36/138948236.db2.gz QSZFNGDXTCXGTD-UHFFFAOYSA-N 0 0 334.420 1.165 10 0 EDAERN CN(C)C(=O)COc1cccc(NCc2nnc(C3CC3)n2C)c1 ZINC000194997947 139004116 /nfs/dbraw/zinc/00/41/16/139004116.db2.gz VGSQATIOYMBPKU-UHFFFAOYSA-N 0 0 329.404 1.772 10 0 EDAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195018050 139004819 /nfs/dbraw/zinc/00/48/19/139004819.db2.gz ASBHSQCNJMJYOU-BXKDBHETSA-N 0 0 331.401 1.739 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1)N1CCOCC1 ZINC000110074210 220013707 /nfs/dbraw/zinc/01/37/07/220013707.db2.gz CXRPISHDWBSIDT-ZDUSSCGKSA-N 0 0 329.404 1.919 10 0 EDAERN CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(N)ccc1Br ZINC000045624097 213746200 /nfs/dbraw/zinc/74/62/00/213746200.db2.gz MTJKNZOGSCVWAH-LBPRGKRZSA-N 0 0 340.221 1.772 10 0 EDAERN Cc1csc(CNc2ccc(S(=O)(=O)N(C)C)cc2N)n1 ZINC000049533806 214015845 /nfs/dbraw/zinc/01/58/45/214015845.db2.gz FCAOCLBLWCTEMQ-UHFFFAOYSA-N 0 0 326.447 1.896 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000195519871 139019700 /nfs/dbraw/zinc/01/97/00/139019700.db2.gz GBAMBQGMWIVEJQ-CYBMUJFWSA-N 0 0 347.440 1.796 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)CCOC[C@@H]2CCCO2)C1 ZINC000110755045 220063811 /nfs/dbraw/zinc/06/38/11/220063811.db2.gz QDTGQGUOYQBSNG-GJZGRUSLSA-N 0 0 336.436 1.590 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)CNC(=O)CCC(C)C)C1 ZINC000110752925 220064154 /nfs/dbraw/zinc/06/41/54/220064154.db2.gz XLWSOLOUUMHQME-AWEZNQCLSA-N 0 0 335.452 1.556 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1c(C)n[nH]c1C ZINC000246828303 291553133 /nfs/dbraw/zinc/55/31/33/291553133.db2.gz XCEYRPGJNMEJJD-MJBXVCDLSA-N 0 0 334.420 1.771 10 0 EDAERN CCn1cnnc1C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000111229630 220118368 /nfs/dbraw/zinc/11/83/68/220118368.db2.gz YRXDCXDGJHNIRM-GFCCVEGCSA-N 0 0 345.369 1.641 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000111229498 220117069 /nfs/dbraw/zinc/11/70/69/220117069.db2.gz AHSWHZAMMZLTLC-AWEZNQCLSA-N 0 0 336.436 1.104 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3cccnc3)C2=O)n(C)n1 ZINC000080666007 217324595 /nfs/dbraw/zinc/32/45/95/217324595.db2.gz KISCFWSKLZRWPD-CQSZACIVSA-N 0 0 342.403 1.118 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000080634602 217321223 /nfs/dbraw/zinc/32/12/23/217321223.db2.gz NQCXTDWKWMETDC-JSGCOSHPSA-N 0 0 348.428 1.420 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000081073334 217358168 /nfs/dbraw/zinc/35/81/68/217358168.db2.gz FMMLDFKWSFSRJG-VIFPVBQESA-N 0 0 344.828 1.095 10 0 EDAERN COc1ccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1OC ZINC000081163386 217366661 /nfs/dbraw/zinc/36/66/61/217366661.db2.gz QWPQJQAVHQSPRO-CYBMUJFWSA-N 0 0 345.403 1.938 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)CNS(=O)(=O)CCOC(C)C ZINC000081403737 217391326 /nfs/dbraw/zinc/39/13/26/217391326.db2.gz CFHDGEIRMDUSCQ-AWEZNQCLSA-N 0 0 342.461 1.517 10 0 EDAERN O=C(CNC(=O)c1ccccc1)N1CC[C@H](Oc2ccccn2)C1 ZINC000238872284 139070075 /nfs/dbraw/zinc/07/00/75/139070075.db2.gz NEVRYVBIQLZKSL-HNNXBMFYSA-N 0 0 325.368 1.491 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C)nc3)CC2)n1 ZINC000112035992 220233157 /nfs/dbraw/zinc/23/31/57/220233157.db2.gz ULWHTBYQJZVCIT-CYBMUJFWSA-N 0 0 329.404 1.854 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3cccc(C)c3)CCO2)c1 ZINC000112061433 220236294 /nfs/dbraw/zinc/23/62/94/220236294.db2.gz VHKPABUFXCTIBG-KRWDZBQOSA-N 0 0 329.400 1.806 10 0 EDAERN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H]1c1cnn(C)c1 ZINC000245466184 139076163 /nfs/dbraw/zinc/07/61/63/139076163.db2.gz YXEBMVVRKKJOLQ-WBMJQRKESA-N 0 0 341.415 1.683 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)[C@H]1CCCO1 ZINC000245693401 139083215 /nfs/dbraw/zinc/08/32/15/139083215.db2.gz QOUWVRCXPCPSAO-BYNSBNAKSA-N 0 0 336.436 1.443 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000246146451 139096750 /nfs/dbraw/zinc/09/67/50/139096750.db2.gz SEBKQWUNXBRALB-ZOMKSWQUSA-N 0 0 345.443 1.759 10 0 EDAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000246201738 139098885 /nfs/dbraw/zinc/09/88/85/139098885.db2.gz MJLZVGPXFVKYNP-MELADBBJSA-N 0 0 325.453 1.158 10 0 EDAERN Cc1cc(N2CC[C@H](N3CC[C@@H](Oc4cccnc4)C3)C2=O)n(C)n1 ZINC000246478449 139110048 /nfs/dbraw/zinc/11/00/48/139110048.db2.gz DCNVJQADDDLITK-CVEARBPZSA-N 0 0 341.415 1.382 10 0 EDAERN OC[C@H]1CN(Cc2ccc(I)cc2)CCO1 ZINC000086831695 217702895 /nfs/dbraw/zinc/70/28/95/217702895.db2.gz NTLPMWJMGBEAGZ-GFCCVEGCSA-N 0 0 333.169 1.484 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C[C@@H]1C ZINC000246870550 139124802 /nfs/dbraw/zinc/12/48/02/139124802.db2.gz WAZAVKGSHNYAKA-DDHJSBNISA-N 0 0 338.398 1.982 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(C(=O)NC)c1 ZINC000088348924 217748125 /nfs/dbraw/zinc/74/81/25/217748125.db2.gz LDCJCQGMFMWQMU-ZDUSSCGKSA-N 0 0 342.403 1.857 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)Cc2cccs2)C[C@H]1C ZINC000247151446 139137581 /nfs/dbraw/zinc/13/75/81/139137581.db2.gz LTIHMCSDRQUHMR-OAHLLOKOSA-N 0 0 339.505 1.749 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000247140168 139137372 /nfs/dbraw/zinc/13/73/72/139137372.db2.gz PEEKJZSYCOKENW-NSHDSACASA-N 0 0 332.491 1.706 10 0 EDAERN CS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247204598 139140487 /nfs/dbraw/zinc/14/04/87/139140487.db2.gz UPDRLRQMVYAATI-RBSFLKMASA-N 0 0 327.494 1.777 10 0 EDAERN Cc1cccc(OC[C@H](O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000247217322 139140872 /nfs/dbraw/zinc/14/08/72/139140872.db2.gz QETWCRCKDRRDNV-SJLPKXTDSA-N 0 0 331.416 1.332 10 0 EDAERN CS(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000012197733 211317652 /nfs/dbraw/zinc/31/76/52/211317652.db2.gz IJGXZQRYOLNGIO-ZDUSSCGKSA-N 0 0 326.418 1.492 10 0 EDAERN Cc1ccccc1CC1(NC(=O)C2CCN(CC(N)=O)CC2)CC1 ZINC000091974200 218096869 /nfs/dbraw/zinc/09/68/69/218096869.db2.gz NYJUWCZTZUIIKH-UHFFFAOYSA-N 0 0 329.444 1.384 10 0 EDAERN Cc1ccc2cccc(NC(=O)NC[C@@H](O)CN3CCOCC3)c2n1 ZINC000092759894 218165337 /nfs/dbraw/zinc/16/53/37/218165337.db2.gz DCRAGDQTFIWZFJ-OAHLLOKOSA-N 0 0 344.415 1.358 10 0 EDAERN CC[C@H](CO)NC(=S)NC(=O)c1ccc(OCCOC)cc1 ZINC000009866344 211128148 /nfs/dbraw/zinc/12/81/48/211128148.db2.gz FBBPGVGHXCMFFD-GFCCVEGCSA-N 0 0 326.418 1.087 10 0 EDAERN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=S)NC(C)=O)cc1 ZINC000009206861 211053562 /nfs/dbraw/zinc/05/35/62/211053562.db2.gz VXUDINPEUQVKIS-VIFPVBQESA-N 0 0 329.447 1.596 10 0 EDAERN O[C@@H]1CCCC[C@H]1Nc1cc(N[C@H]2CCCC[C@H]2O)nc2ncnn21 ZINC000251708706 139202502 /nfs/dbraw/zinc/20/25/02/139202502.db2.gz KINYZZQUBJWUNA-REWJHTLYSA-N 0 0 346.435 1.555 10 0 EDAERN Nc1cccc2c1CCCN2CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000261904988 139235616 /nfs/dbraw/zinc/23/56/16/139235616.db2.gz WWHRAGMPMHSDSH-UHFFFAOYSA-N 0 0 342.443 1.102 10 0 EDAERN COc1cc(N)ccc1[S@](=O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000166203381 532952657 /nfs/dbraw/zinc/95/26/57/532952657.db2.gz QIWZNHLMTAFNRY-PVUDRZGPSA-N 0 0 331.459 1.741 10 0 EDAERN COC(C)(C)C[C@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000173861663 532966160 /nfs/dbraw/zinc/96/61/60/532966160.db2.gz HRVVQYCJQZUZGN-RYUDHWBXSA-N 0 0 332.400 1.991 10 0 EDAERN COC(=O)[C@@H]1CN(C(=O)c2cc(N)cc(Br)c2)C[C@H]1C ZINC000166133127 532983393 /nfs/dbraw/zinc/98/33/93/532983393.db2.gz ODDSNCDDVNKBNO-PRHODGIISA-N 0 0 341.205 1.912 10 0 EDAERN COc1ccnc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1 ZINC000173068283 533040947 /nfs/dbraw/zinc/04/09/47/533040947.db2.gz ZCZDNNRBPQXREM-CYBMUJFWSA-N 0 0 343.387 1.058 10 0 EDAERN CNc1ncc(Br)cc1C(=O)NC[C@H](C)[S@@](C)=O ZINC000166272653 533086860 /nfs/dbraw/zinc/08/68/60/533086860.db2.gz OHFDYLXMISTCQR-VIIUKITBSA-N 0 0 334.239 1.383 10 0 EDAERN O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112650895 220364408 /nfs/dbraw/zinc/36/44/08/220364408.db2.gz FMTOICZXSNYXNH-NSHDSACASA-N 0 0 340.305 1.850 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(CN2CCCC2=O)cc1 ZINC000112658766 220366824 /nfs/dbraw/zinc/36/68/24/220366824.db2.gz LUPYLUCVVCISON-HNNXBMFYSA-N 0 0 339.399 1.145 10 0 EDAERN O=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCc2ncnn2C1 ZINC000112663214 220368745 /nfs/dbraw/zinc/36/87/45/220368745.db2.gz QHYMJMNSGMMPSU-LBPRGKRZSA-N 0 0 340.412 1.470 10 0 EDAERN O=C(NCc1coc(-c2cccs2)n1)N[C@H]1CCc2ncnn2C1 ZINC000112741597 220392843 /nfs/dbraw/zinc/39/28/43/220392843.db2.gz SJWSSQIICFJJLV-JTQLQIEISA-N 0 0 344.400 1.809 10 0 EDAERN O=C(NCc1ccnc(N2CCCC2)c1)N[C@H]1CCc2ncnn2C1 ZINC000112741972 220393186 /nfs/dbraw/zinc/39/31/86/220393186.db2.gz SUNAJWLCDHXCGQ-AWEZNQCLSA-N 0 0 341.419 1.088 10 0 EDAERN O=C(NCCOc1ccc(F)c(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112749455 220397140 /nfs/dbraw/zinc/39/71/40/220397140.db2.gz HVFHSJSAWSCCEG-SNVBAGLBSA-N 0 0 337.330 1.249 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000187678343 533127427 /nfs/dbraw/zinc/12/74/27/533127427.db2.gz IIAISYOKTSUBLV-QGZVFWFLSA-N 0 0 346.362 1.633 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](NC(C)=O)C3)[nH]n2)cc1 ZINC000153927118 224178163 /nfs/dbraw/zinc/17/81/63/224178163.db2.gz ORVZANMFNPUHOB-CQSZACIVSA-N 0 0 342.399 1.826 10 0 EDAERN CCn1nc(C)c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1C ZINC000153822932 224163440 /nfs/dbraw/zinc/16/34/40/224163440.db2.gz LRSHDMORZFJHCT-OAHLLOKOSA-N 0 0 349.479 1.695 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2 ZINC000114863074 220768580 /nfs/dbraw/zinc/76/85/80/220768580.db2.gz JOFVVMSERITHKA-MNOVXSKESA-N 0 0 337.424 1.185 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CC1CCCCC1)CC2 ZINC000114874648 220772305 /nfs/dbraw/zinc/77/23/05/220772305.db2.gz GIDDHCHXUZHIIH-ZDUSSCGKSA-N 0 0 326.466 1.655 10 0 EDAERN COc1ccc(-c2noc([C@@H](C)NC[C@@H]3CN(C)CCO3)n2)cc1 ZINC000130448872 533208020 /nfs/dbraw/zinc/20/80/20/533208020.db2.gz XNLZCRGMKSJKAI-IUODEOHRSA-N 0 0 332.404 1.726 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116370136 220956466 /nfs/dbraw/zinc/95/64/66/220956466.db2.gz DNVAHNUVDNRYPE-ZDUSSCGKSA-N 0 0 335.429 1.997 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3F)C2)cn1 ZINC000116588012 220975050 /nfs/dbraw/zinc/97/50/50/220975050.db2.gz QNHQAAKZDQLCOT-SNVBAGLBSA-N 0 0 334.326 1.653 10 0 EDAERN Cc1noc(CCNC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 ZINC000117042751 221027024 /nfs/dbraw/zinc/02/70/24/221027024.db2.gz LWBBZCIVWBYOLZ-CQSZACIVSA-N 0 0 347.423 1.251 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cccc(Cl)c2)C[C@@H]1C ZINC000117369512 221059265 /nfs/dbraw/zinc/05/92/65/221059265.db2.gz OTEMYKXFPCTHDD-LBPRGKRZSA-N 0 0 332.853 1.681 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@@H]1C ZINC000117275185 221041470 /nfs/dbraw/zinc/04/14/70/221041470.db2.gz XFKJNBJMISRIGH-HNNXBMFYSA-N 0 0 333.432 1.503 10 0 EDAERN CCOCCN1CCN(C(=O)CSCc2ccncc2)C[C@H]1C ZINC000117278369 221042011 /nfs/dbraw/zinc/04/20/11/221042011.db2.gz PGIOYHUXZNSEDY-OAHLLOKOSA-N 0 0 337.489 1.884 10 0 EDAERN COCCN1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C[C@H]1C ZINC000117295153 221047261 /nfs/dbraw/zinc/04/72/61/221047261.db2.gz YWUKZEVVTJHMDN-OAHLLOKOSA-N 0 0 343.431 1.368 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CCN1CCOC ZINC000117306510 221051005 /nfs/dbraw/zinc/05/10/05/221051005.db2.gz MIGWXTMWDVNQEI-GFCCVEGCSA-N 0 0 344.253 1.960 10 0 EDAERN CC[C@H]1CN(C(=O)c2n[nH]c(=O)c3ccccc32)CCN1CCOC ZINC000117306809 221051271 /nfs/dbraw/zinc/05/12/71/221051271.db2.gz WGTBJNPALILFHZ-ZDUSSCGKSA-N 0 0 344.415 1.106 10 0 EDAERN COCCN1CCN(C(=O)NCCc2cc(F)cc(F)c2)C[C@@H]1C ZINC000117488055 221069985 /nfs/dbraw/zinc/06/99/85/221069985.db2.gz PJNXKEXRJRSIET-ZDUSSCGKSA-N 0 0 341.402 1.869 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000117522667 221074603 /nfs/dbraw/zinc/07/46/03/221074603.db2.gz TYBLTIRQWAUNDY-AWEZNQCLSA-N 0 0 333.432 1.421 10 0 EDAERN Cc1cnn(CCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000117819123 221092947 /nfs/dbraw/zinc/09/29/47/221092947.db2.gz GFKGUQXWFNDWAB-UHFFFAOYSA-N 0 0 336.436 1.955 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2OC(F)F)C1 ZINC000118212323 221131746 /nfs/dbraw/zinc/13/17/46/221131746.db2.gz CKQNMGCKCIMFEE-CYBMUJFWSA-N 0 0 326.343 1.958 10 0 EDAERN Cc1cnn(CCNC(=O)NCCNC(=O)CC2CCCCC2)c1 ZINC000118068858 221111934 /nfs/dbraw/zinc/11/19/34/221111934.db2.gz BWMXYEKQSHFGFH-UHFFFAOYSA-N 0 0 335.452 1.577 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000118078992 221112731 /nfs/dbraw/zinc/11/27/31/221112731.db2.gz PSICMETZQGBBMM-GFCCVEGCSA-N 0 0 330.392 1.743 10 0 EDAERN O=C(NCCc1ccc(Cl)nc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000119239128 221274379 /nfs/dbraw/zinc/27/43/79/221274379.db2.gz OVSSHXMGBTZBIB-AWEZNQCLSA-N 0 0 349.822 1.585 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119416581 221314988 /nfs/dbraw/zinc/31/49/88/221314988.db2.gz HRHKRKKRVOQTDY-KSSFIOAISA-N 0 0 330.432 1.844 10 0 EDAERN Cc1cc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)ccn1 ZINC000119611257 221359587 /nfs/dbraw/zinc/35/95/87/221359587.db2.gz NLRKRARNDCNRCD-UHFFFAOYSA-N 0 0 338.375 1.182 10 0 EDAERN Cc1ncsc1CN1Cc2ccnn2[C@H](C(=O)N2CCCO2)C1 ZINC000248047207 257666473 /nfs/dbraw/zinc/66/64/73/257666473.db2.gz RCILBTNVVMBBGN-ZDUSSCGKSA-N 0 0 333.417 1.369 10 0 EDAERN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CCOCC1 ZINC000247903637 257674282 /nfs/dbraw/zinc/67/42/82/257674282.db2.gz LFIAWNIVYPFUSQ-HUUCEWRRSA-N 0 0 349.456 1.775 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccsc1 ZINC000177895282 533283817 /nfs/dbraw/zinc/28/38/17/533283817.db2.gz HCOMRCQRVAFVGX-LBPRGKRZSA-N 0 0 335.433 1.863 10 0 EDAERN C[C@@H](NC(=O)c1cncc(F)c1)c1ccc(S(N)(=O)=O)s1 ZINC000165264627 533314557 /nfs/dbraw/zinc/31/45/57/533314557.db2.gz LWHPKOLBCKNGFF-SSDOTTSWSA-N 0 0 329.378 1.421 10 0 EDAERN COC[C@@H](O)CN(C)c1cccc(Br)c1C(N)=S ZINC000168709285 533362463 /nfs/dbraw/zinc/36/24/63/533362463.db2.gz FPJAGWVAELWORA-QMMMGPOBSA-N 0 0 333.251 1.527 10 0 EDAERN CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000174551326 533446803 /nfs/dbraw/zinc/44/68/03/533446803.db2.gz LMISUJGHYUCKCF-ZDUSSCGKSA-N 0 0 349.416 1.551 10 0 EDAERN CS(=O)(=O)[C@H]1CSCCN1Cc1cccc2c1OCCN2 ZINC000165730007 533436107 /nfs/dbraw/zinc/43/61/07/533436107.db2.gz BMODQGYUQGNFKF-ZDUSSCGKSA-N 0 0 328.459 1.410 10 0 EDAERN COC(=O)[C@H]1CN(C(=O)c2cc(C)c(Br)s2)CCO1 ZINC000168797408 533470822 /nfs/dbraw/zinc/47/08/22/533470822.db2.gz BUVIXIRROXFASR-MRVPVSSYSA-N 0 0 348.218 1.833 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(CC(N)=S)cc1)[C@H]1CCOC1 ZINC000166232322 533482447 /nfs/dbraw/zinc/48/24/47/533482447.db2.gz FICTWMSUZVZQNM-PWSUYJOCSA-N 0 0 328.459 1.219 10 0 EDAERN COc1cc(Br)c(N)cc1S(=O)(=O)NC[C@H]1C[C@@H]1C ZINC000158853952 533487980 /nfs/dbraw/zinc/48/79/80/533487980.db2.gz WOSSXEYQXDKJIN-JGVFFNPUSA-N 0 0 349.250 1.974 10 0 EDAERN COC(=O)CS(=O)(=O)Nc1c(C)cc(C)cc1Br ZINC000160043356 533575486 /nfs/dbraw/zinc/57/54/86/533575486.db2.gz VNVDVFGPCUWSHY-UHFFFAOYSA-N 0 0 336.207 1.981 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(Br)ccc1C ZINC000168927696 533548119 /nfs/dbraw/zinc/54/81/19/533548119.db2.gz QXAZNBHSBYHMSL-CMPLNLGQSA-N 0 0 342.189 1.506 10 0 EDAERN c1c[nH]c([C@@H](N[C@@H]2CCCN(c3cccnn3)C2)c2cccnc2)n1 ZINC000195071058 285425288 /nfs/dbraw/zinc/42/52/88/285425288.db2.gz DSBOMCQDNFCOQN-WBVHZDCISA-N 0 0 335.415 1.943 10 0 EDAERN COc1cccc(CC(=O)Nc2cnc(N3CCOCC3)nc2)c1 ZINC000065224986 132807872 /nfs/dbraw/zinc/80/78/72/132807872.db2.gz FSBRFJUTDYLNRV-UHFFFAOYSA-N 0 0 328.372 1.503 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C)CCO3)C[C@H](C)O1 ZINC000071447329 132814342 /nfs/dbraw/zinc/81/43/42/132814342.db2.gz GGELLXBJRZMTBJ-RYUDHWBXSA-N 0 0 326.418 1.313 10 0 EDAERN CCCn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1=O ZINC000011781878 135690879 /nfs/dbraw/zinc/69/08/79/135690879.db2.gz PNQGOXZFUHOKGN-UHFFFAOYSA-N 0 0 344.390 1.755 10 0 EDAERN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCC[C@](F)(CO)C1 ZINC000329122693 140697041 /nfs/dbraw/zinc/69/70/41/140697041.db2.gz WVVNTNPCBBLCIA-JLJPHGGASA-N 0 0 339.411 1.865 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2N2C(=O)[C@H]3C[C@H](C)CCN3C2=O)cn1 ZINC000330062183 140799241 /nfs/dbraw/zinc/79/92/41/140799241.db2.gz OZXOUKGPBPZFRY-FAAHXZRKSA-N 0 0 332.404 1.796 10 0 EDAERN O=C(NCCc1nccs1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333275954 141291644 /nfs/dbraw/zinc/29/16/44/141291644.db2.gz OLGDOYDFUFEJMF-OLZOCXBDSA-N 0 0 336.461 1.776 10 0 EDAERN CC[C@@H]1C[C@H](C(=O)NC[C@H]2Cc3ccccc3N(C)C2)CC(=O)N1 ZINC000333391346 141310426 /nfs/dbraw/zinc/31/04/26/141310426.db2.gz ZIBZSRZYWLCDFP-VNQPRFMTSA-N 0 0 329.444 1.716 10 0 EDAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc(F)cc3n[nH]nc32)C1 ZINC000333477413 141323979 /nfs/dbraw/zinc/32/39/79/141323979.db2.gz RWRFBKQEHCAJRI-NSHDSACASA-N 0 0 342.378 1.925 10 0 EDAERN O=C(NCc1ccc(-n2cncn2)cc1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000333523913 141331428 /nfs/dbraw/zinc/33/14/28/141331428.db2.gz ZXURSXUTMPEFPC-BZUAXINKSA-N 0 0 327.388 1.634 10 0 EDAERN C[C@@H](c1cccc(C2CC2)c1)N1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O ZINC000333528931 141332084 /nfs/dbraw/zinc/33/20/84/141332084.db2.gz LWECJTJHZCPGKR-XHDPSFHLSA-N 0 0 348.424 1.686 10 0 EDAERN C[C@H](NC(=O)NCC1(C)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000176643410 148941431 /nfs/dbraw/zinc/94/14/31/148941431.db2.gz RQNRBBCKRBAOTJ-NSHDSACASA-N 0 0 325.434 1.884 10 0 EDAERN CSC1(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CCC1 ZINC000195122846 148963794 /nfs/dbraw/zinc/96/37/94/148963794.db2.gz CLTMXAZPHHTADW-KGLIPLIRSA-N 0 0 327.494 1.634 10 0 EDAERN COc1cc(C)ccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173688094 533675333 /nfs/dbraw/zinc/67/53/33/533675333.db2.gz KSYJAUPOFPHRMF-CYBMUJFWSA-N 0 0 343.387 1.397 10 0 EDAERN COc1ccc([C@H](CO)N(C)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000123050529 286373548 /nfs/dbraw/zinc/37/35/48/286373548.db2.gz CEMPNVHLDLBRNO-GJZGRUSLSA-N 0 0 345.403 1.497 10 0 EDAERN COc1ccccc1OCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000371806691 156112981 /nfs/dbraw/zinc/11/29/81/156112981.db2.gz KIUAGYUDLQPQHC-HNNXBMFYSA-N 0 0 334.416 1.397 10 0 EDAERN CC[C@@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000092231113 286869641 /nfs/dbraw/zinc/86/96/41/286869641.db2.gz SKOVZASYNXCDHA-ZIAGYGMSSA-N 0 0 339.823 1.093 10 0 EDAERN CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329673179 161622514 /nfs/dbraw/zinc/62/25/14/161622514.db2.gz SRKAIZKVQOSRTR-FPCVCCKLSA-N 0 0 330.432 1.861 10 0 EDAERN C[C@H](CN1CCCC1=O)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000060395690 287235075 /nfs/dbraw/zinc/23/50/75/287235075.db2.gz CEVAUNZFXLGAFW-CHWSQXEVSA-N 0 0 332.404 1.324 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1cccc(-n2ccnc2)c1 ZINC000076661878 287285096 /nfs/dbraw/zinc/28/50/96/287285096.db2.gz DWWSODMHWQVAJF-GFCCVEGCSA-N 0 0 338.371 1.422 10 0 EDAERN CCn1ccnc1CS(=O)(=O)c1nnc(C)n1Cc1ccccc1 ZINC000081532565 287313780 /nfs/dbraw/zinc/31/37/80/287313780.db2.gz ZMJQRJHVWWLBSW-UHFFFAOYSA-N 0 0 345.428 1.825 10 0 EDAERN Cc1ccc(-c2nc3c([nH]2)n(C)c(=O)[nH]c3=O)cc1Br ZINC000157849959 224901162 /nfs/dbraw/zinc/90/11/62/224901162.db2.gz YAAVWZZDSNVIGC-UHFFFAOYSA-N 0 0 335.161 1.688 10 0 EDAERN CCn1ncc(NCC[C@@H](C)[S@](C)=O)c(Br)c1=O ZINC000158772029 225082320 /nfs/dbraw/zinc/08/23/20/225082320.db2.gz XOSVNYWMZVPDHE-NTCNTBNZSA-N 0 0 336.255 1.595 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cnc(Cl)c(Cl)c1 ZINC000158914805 225108967 /nfs/dbraw/zinc/10/89/67/225108967.db2.gz PSRXVCYOOVWYGY-SSDOTTSWSA-N 0 0 348.215 1.273 10 0 EDAERN O=C(Nc1cccc(COCC2CC2)c1)C(=O)N1CCC[C@H]1CO ZINC000120975548 287366735 /nfs/dbraw/zinc/36/67/35/287366735.db2.gz PAABEDFWJUZXJM-INIZCTEOSA-N 0 0 332.400 1.535 10 0 EDAERN [NH3+]C[C@@H]1CCCC[C@@H]1Nc1nc[n-]c(=O)c1I ZINC000164390539 226068431 /nfs/dbraw/zinc/06/84/31/226068431.db2.gz NRJQAFYHFRDHFY-YUMQZZPRSA-N 0 0 348.188 1.304 10 0 EDAERN Cc1cc(Cl)c(N)cc1S(=O)(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000166979622 226176058 /nfs/dbraw/zinc/17/60/58/226176058.db2.gz RQALGHFHPPQYRK-VHSXEESVSA-N 0 0 334.825 1.001 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000167105085 226181021 /nfs/dbraw/zinc/18/10/21/226181021.db2.gz DUCUJBUVRHJCAU-GFCCVEGCSA-N 0 0 331.821 1.149 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2Cl)C[C@@H]1C ZINC000165102796 226109776 /nfs/dbraw/zinc/10/97/76/226109776.db2.gz DDWXWCXYXTVIEF-YUMQZZPRSA-N 0 0 334.800 1.855 10 0 EDAERN Cc1cc(N)ccc1[S@](=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000165363118 226121455 /nfs/dbraw/zinc/12/14/55/226121455.db2.gz UPGSEVYOXAGPMM-ODXCJYRJSA-N 0 0 330.475 1.356 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N2CCC[C@H](CO)C2)c1Cl ZINC000165895219 226139868 /nfs/dbraw/zinc/13/98/68/226139868.db2.gz DYDRLLKMKJEXFJ-QMMMGPOBSA-N 0 0 339.244 1.969 10 0 EDAERN C[C@H](Cn1nnnc1-c1ccc(Br)c(N)c1)[S@](C)=O ZINC000166196935 226150842 /nfs/dbraw/zinc/15/08/42/226150842.db2.gz YWKVWJYMKXNXDD-QOLSBQFWSA-N 0 0 344.238 1.452 10 0 EDAERN COc1ccc(Br)cc1C[C@H](O)[C@@H](C)S(C)(=O)=O ZINC000167588246 226195258 /nfs/dbraw/zinc/19/52/58/226195258.db2.gz SWYSJXGTWAKIGW-KCJUWKMLSA-N 0 0 337.235 1.794 10 0 EDAERN Nc1cc(Br)c(OC[C@@H](O)CO)c(Br)c1 ZINC000167659226 226197127 /nfs/dbraw/zinc/19/71/27/226197127.db2.gz YAILVPLFTDLIQX-LURJTMIESA-N 0 0 340.999 1.526 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000167763147 226198050 /nfs/dbraw/zinc/19/80/50/226198050.db2.gz CYQHVJIYQZAXQI-ZYHUDNBSSA-N 0 0 328.459 1.021 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(N)c(Br)c1 ZINC000167954506 226203765 /nfs/dbraw/zinc/20/37/65/226203765.db2.gz KQXSSKAAGWMUOB-SCZZXKLOSA-N 0 0 329.194 1.253 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1CC(=O)c1ccccc1Br ZINC000168211548 226210190 /nfs/dbraw/zinc/21/01/90/226210190.db2.gz GYOQVGSVNZYHFB-GHMZBOCLSA-N 0 0 328.206 1.713 10 0 EDAERN C[C@@H]1C(=O)NCCN1c1cccc(Br)c1C(N)=S ZINC000168743770 226221325 /nfs/dbraw/zinc/22/13/25/226221325.db2.gz FIMPKPCAIYKNNU-SSDOTTSWSA-N 0 0 328.235 1.408 10 0 EDAERN C[C@H](C[S@](C)=O)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000168681420 226221805 /nfs/dbraw/zinc/22/18/05/226221805.db2.gz UXFJEKBCJHOKDI-FWCARGHBSA-N 0 0 345.273 1.621 10 0 EDAERN NC(=S)c1c(Br)cccc1N[C@@H]1CCC(=O)NC1=O ZINC000168764600 226222984 /nfs/dbraw/zinc/22/29/84/226222984.db2.gz LHKZKQDRYYCBKE-MRVPVSSYSA-N 0 0 342.218 1.300 10 0 EDAERN C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(N)c2ccccc21 ZINC000169082290 226231898 /nfs/dbraw/zinc/23/18/98/226231898.db2.gz PKEISLOOASQZGH-CFMSYZGJSA-N 0 0 326.443 1.467 10 0 EDAERN O=S1(=O)C[C@H](O)[C@@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000169089081 226232320 /nfs/dbraw/zinc/23/23/20/226232320.db2.gz GBDDHAYNTWIJGS-UWVGGRQHSA-N 0 0 329.727 1.929 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000171448999 227086584 /nfs/dbraw/zinc/08/65/84/227086584.db2.gz BIUDOONOVXVQDI-AWEZNQCLSA-N 0 0 349.416 1.437 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCNC(=O)c2ccccc2)cn1 ZINC000171455885 227088608 /nfs/dbraw/zinc/08/86/08/227088608.db2.gz NYGVTBQNLKAFTM-MRXNPFEDSA-N 0 0 341.415 1.697 10 0 EDAERN O=C(NCC1(c2cccc(F)c2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000120661225 221639916 /nfs/dbraw/zinc/63/99/16/221639916.db2.gz VLAJLAHXZPAMGW-AWEZNQCLSA-N 0 0 329.379 1.763 10 0 EDAERN O=C1CNC(=O)N1CCCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121257351 221799612 /nfs/dbraw/zinc/79/96/12/221799612.db2.gz STHHTUFDJGEQCU-RISCZKNCSA-N 0 0 339.342 1.014 10 0 EDAERN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1CNC(=O)C1 ZINC000171518251 227118630 /nfs/dbraw/zinc/11/86/30/227118630.db2.gz OYDXJYTWGCPXSQ-SSDOTTSWSA-N 0 0 335.257 1.435 10 0 EDAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)cn1 ZINC000123720073 222322236 /nfs/dbraw/zinc/32/22/36/222322236.db2.gz DJZVTBXWXIYUKY-UHFFFAOYSA-N 0 0 331.376 1.544 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)N(C)CC(=O)N2CCOCC2)cc1 ZINC000123435625 222277196 /nfs/dbraw/zinc/27/71/96/222277196.db2.gz OEEASOXLDFOLNE-CQSZACIVSA-N 0 0 333.432 1.810 10 0 EDAERN CCn1cc(C(=O)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000123586555 222301228 /nfs/dbraw/zinc/30/12/28/222301228.db2.gz CDRLRJDVVJDIKE-NSHDSACASA-N 0 0 329.356 1.734 10 0 EDAERN Cc1cc(N2CCO[C@H](Cn3cccn3)C2)nc(-c2cccnc2)n1 ZINC000171545427 227131631 /nfs/dbraw/zinc/13/16/31/227131631.db2.gz YBFMUXDFKKBSNA-INIZCTEOSA-N 0 0 336.399 1.949 10 0 EDAERN CN(C)c1c(Cl)cccc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000171705998 227235885 /nfs/dbraw/zinc/23/58/85/227235885.db2.gz CVFTWOBEWNYWIA-LLVKDONJSA-N 0 0 326.828 1.858 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)NCCCOCC(F)(F)F)C1 ZINC000172542645 227752380 /nfs/dbraw/zinc/75/23/80/227752380.db2.gz JXRVCUWNODCXHS-SNVBAGLBSA-N 0 0 326.315 1.550 10 0 EDAERN NC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000190137686 272974034 /nfs/dbraw/zinc/97/40/34/272974034.db2.gz HFLSNLHQOFPXPA-AWEZNQCLSA-N 0 0 341.371 1.201 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000193378215 272991905 /nfs/dbraw/zinc/99/19/05/272991905.db2.gz LHSLQDHYLLBYAW-INIZCTEOSA-N 0 0 325.453 1.587 10 0 EDAERN C[C@H](CN1CCCC1=O)NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000193644192 272997669 /nfs/dbraw/zinc/99/76/69/272997669.db2.gz CEVAUNZFXLGAFW-OLZOCXBDSA-N 0 0 332.404 1.324 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000129219680 267456233 /nfs/dbraw/zinc/45/62/33/267456233.db2.gz MINXKACCPCIHEA-OAHLLOKOSA-N 0 0 349.431 1.674 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172760365 267528973 /nfs/dbraw/zinc/52/89/73/267528973.db2.gz WHNMMKQSBVUWKD-HNNXBMFYSA-N 0 0 328.416 1.278 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000178839323 267591331 /nfs/dbraw/zinc/59/13/31/267591331.db2.gz LAEOQFQVLYRJLN-MRXNPFEDSA-N 0 0 344.415 1.133 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2snnc2CC)C12CCOCC2 ZINC000187136379 272948722 /nfs/dbraw/zinc/94/87/22/272948722.db2.gz XFGFLDGCTVJTEG-RYUDHWBXSA-N 0 0 325.434 1.805 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CCO2)c1 ZINC000245597722 287714811 /nfs/dbraw/zinc/71/48/11/287714811.db2.gz LVNOJRCAKMGFNW-FZKCQIBNSA-N 0 0 336.436 1.558 10 0 EDAERN Cn1cc(/C=C\C(=O)N2CCC[C@@H]2c2ccco2)c(=O)n(C)c1=O ZINC000255542932 287843014 /nfs/dbraw/zinc/84/30/14/287843014.db2.gz LFMOENFLNCQPAI-MEJMFZKBSA-N 0 0 329.356 1.054 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000193299027 278072814 /nfs/dbraw/zinc/07/28/14/278072814.db2.gz WLMQQXVVPNFUIB-YYQUZTFQSA-N 0 0 348.468 1.673 10 0 EDAERN CC(=O)NC1(C(=O)N[C@H](C)c2nnc3n2CCCC3)CCCCC1 ZINC000135367704 278085422 /nfs/dbraw/zinc/08/54/22/278085422.db2.gz YSXQWXAEKLHKMH-GFCCVEGCSA-N 0 0 333.436 1.631 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000083754981 279135834 /nfs/dbraw/zinc/13/58/34/279135834.db2.gz SYGKIXYWKCOZLQ-CYBMUJFWSA-N 0 0 341.371 1.111 10 0 EDAERN CC(C)Cc1ccc(CCCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091782631 279241285 /nfs/dbraw/zinc/24/12/85/279241285.db2.gz PXYBEEUJFSKAIB-QGZVFWFLSA-N 0 0 332.444 1.921 10 0 EDAERN O=C([C@@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@H]2O1)N1CCCCO1 ZINC000096043117 280111702 /nfs/dbraw/zinc/11/17/02/280111702.db2.gz VFSOOCAAQMVYPB-FPMFFAJLSA-N 0 0 336.367 1.154 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)c(C)c2)n1 ZINC000183746938 302852608 /nfs/dbraw/zinc/85/26/08/302852608.db2.gz JQEZTRKTLRFDFK-ZDUSSCGKSA-N 0 0 341.364 1.588 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)/C=C\c3cncc(O)c3)CCO2)n1 ZINC000492517924 305593835 /nfs/dbraw/zinc/59/38/35/305593835.db2.gz FWROFNAKRQCWMK-LIMHQNJXSA-N 0 0 342.399 1.541 10 0 EDAERN COC(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000006405938 440991265 /nfs/dbraw/zinc/99/12/65/440991265.db2.gz RFSQDXHHAXTXRB-UHFFFAOYSA-N 0 0 328.324 1.590 10 0 EDAERN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)NCCCCCCO ZINC000006691900 441007421 /nfs/dbraw/zinc/00/74/21/441007421.db2.gz NUCYJOAYBYFSDA-IPYPFGDCSA-N 0 0 343.493 1.381 10 0 EDAERN O=S(=O)(Nc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000005890150 440973025 /nfs/dbraw/zinc/97/30/25/440973025.db2.gz NYFSYALQXYVVBN-QMMMGPOBSA-N 0 0 344.241 1.922 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccc(Cl)s1 ZINC000046813356 441126332 /nfs/dbraw/zinc/12/63/32/441126332.db2.gz QDONQPDZTMEQRI-SSDOTTSWSA-N 0 0 347.849 1.878 10 0 EDAERN CN(C)C(=O)c1cccc(NC(=O)CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000070693756 441115934 /nfs/dbraw/zinc/11/59/34/441115934.db2.gz KJGMWFOGHJPINI-DLBZAZTESA-N 0 0 345.443 1.970 10 0 EDAERN Cn1cc([C@H]2C[C@@H]2C(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 ZINC000071841407 441166765 /nfs/dbraw/zinc/16/67/65/441166765.db2.gz FEDMRXWJFHOPSH-CABCVRRESA-N 0 0 340.431 1.468 10 0 EDAERN O=C(CCc1cccnc1)N1CCN(C(=O)Cc2ccccn2)CC1 ZINC000071799498 441155856 /nfs/dbraw/zinc/15/58/56/441155856.db2.gz DRTILBLKSBLGNO-UHFFFAOYSA-N 0 0 338.411 1.323 10 0 EDAERN Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)sc2ncn(C)c(=O)c12 ZINC000015424261 441202856 /nfs/dbraw/zinc/20/28/56/441202856.db2.gz XPMVMAZRXDNQPZ-UHFFFAOYSA-N 0 0 342.380 1.655 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccccc3F)CC2)n1 ZINC000105864583 441295544 /nfs/dbraw/zinc/29/55/44/441295544.db2.gz CYXOOQUNWAUARY-BLLLJJGKSA-N 0 0 334.395 1.929 10 0 EDAERN CCc1noc([C@H](C)N2CCN([C@H](C)C(=O)NCC(C)C)CC2)n1 ZINC000105865192 441295666 /nfs/dbraw/zinc/29/56/66/441295666.db2.gz KPBPROPBGXFYQS-KGLIPLIRSA-N 0 0 337.468 1.471 10 0 EDAERN CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105853988 441292335 /nfs/dbraw/zinc/29/23/35/441292335.db2.gz KNGUTBDGDVFVED-LBPRGKRZSA-N 0 0 334.401 1.159 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)NC3CCCCC3)C2)c1 ZINC000105859866 441293064 /nfs/dbraw/zinc/29/30/64/441293064.db2.gz WJAZOOHQJDZMLD-INIZCTEOSA-N 0 0 347.463 1.987 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1nc(-c2ccoc2)no1 ZINC000081583120 441293965 /nfs/dbraw/zinc/29/39/65/441293965.db2.gz PLXXZFCYOVHHGK-GFCCVEGCSA-N 0 0 342.359 1.813 10 0 EDAERN CC[C@H]1CN(CC(=O)Nc2ccccc2C(C)=O)CCN1C[C@@H](C)O ZINC000106104167 441327029 /nfs/dbraw/zinc/32/70/29/441327029.db2.gz ANCRBBUOCUIFAB-ZBFHGGJFSA-N 0 0 347.459 1.605 10 0 EDAERN Cc1cccc2nc(CS(=O)(=O)Cc3nnnn3C(C)C)cn21 ZINC000106302088 441331355 /nfs/dbraw/zinc/33/13/55/441331355.db2.gz AMMYWSKZPACYTQ-UHFFFAOYSA-N 0 0 334.405 1.325 10 0 EDAERN O=C(Nc1ccn(Cc2ccncc2)n1)N[C@@H]1CCCC[C@@H]1CO ZINC000081632192 441298044 /nfs/dbraw/zinc/29/80/44/441298044.db2.gz RLWXPFALBQXBNB-HUUCEWRRSA-N 0 0 329.404 1.999 10 0 EDAERN Cc1nnc([C@@H](C)N2CCN(c3nc(C)nc4c3cnn4C)CC2)o1 ZINC000105882394 441305665 /nfs/dbraw/zinc/30/56/65/441305665.db2.gz HPFDXGMFWIBTEO-SNVBAGLBSA-N 0 0 342.407 1.246 10 0 EDAERN C[C@H](NC(=O)[C@H](C)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000105888244 441308121 /nfs/dbraw/zinc/30/81/21/441308121.db2.gz UTNRBTKEZBHKKN-BQFCYCMXSA-N 0 0 342.443 1.850 10 0 EDAERN C[C@H](c1nnnn1-c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000105890259 441309397 /nfs/dbraw/zinc/30/93/97/441309397.db2.gz IPJRUFGAXNASJV-ZBFHGGJFSA-N 0 0 339.403 1.321 10 0 EDAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC1CCCCC1 ZINC000106912519 441388956 /nfs/dbraw/zinc/38/89/56/441388956.db2.gz HDYDKMIVABOVLB-KRWDZBQOSA-N 0 0 331.460 1.724 10 0 EDAERN CCc1nc2cccnc2n1[C@@H]1CCN(C(=O)NCCCOC)C1 ZINC000065271573 441413551 /nfs/dbraw/zinc/41/35/51/441413551.db2.gz DVXVOHRXYBKNBE-CYBMUJFWSA-N 0 0 331.420 1.987 10 0 EDAERN Cc1ccc(CN2C[C@H]3CN(Cc4ncc[nH]4)CCN3C2=O)cc1 ZINC000085436241 441440275 /nfs/dbraw/zinc/44/02/75/441440275.db2.gz AHZGSKOXZNZNQO-MRXNPFEDSA-N 0 0 325.416 1.840 10 0 EDAERN C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccc2c(c1)OCCO2 ZINC000087003137 441475128 /nfs/dbraw/zinc/47/51/28/441475128.db2.gz AFATZTLLHQMUED-SNVBAGLBSA-N 0 0 329.356 1.386 10 0 EDAERN O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CNC(=O)C1 ZINC000109219361 441491661 /nfs/dbraw/zinc/49/16/61/441491661.db2.gz LGUJHPWDESYYTQ-SNVBAGLBSA-N 0 0 334.763 1.185 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn2ccc(C)nc12 ZINC000088196503 441495061 /nfs/dbraw/zinc/49/50/61/441495061.db2.gz CJXOXRIPTQQPFZ-GFCCVEGCSA-N 0 0 325.376 1.457 10 0 EDAERN COc1cccc(S(=O)(=O)c2ccc3nc(N)nc(N)c3c2)c1 ZINC000032286653 441550897 /nfs/dbraw/zinc/55/08/97/441550897.db2.gz NCFUSMOQOSUOMV-UHFFFAOYSA-N 0 0 330.369 1.636 10 0 EDAERN Cc1cc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1C(N)=O ZINC000111762289 441540682 /nfs/dbraw/zinc/54/06/82/441540682.db2.gz IOTNAXFPDCGYSS-AWEZNQCLSA-N 0 0 343.387 1.223 10 0 EDAERN O=Cc1cccc(OCC(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000113173657 441584634 /nfs/dbraw/zinc/58/46/34/441584634.db2.gz CJWODGOAECHGAA-UHFFFAOYSA-N 0 0 340.383 1.407 10 0 EDAERN Nc1ccc2c(ncnc2N2CCCN(C(=O)c3ccncc3)CC2)n1 ZINC000090071175 441619505 /nfs/dbraw/zinc/61/95/05/441619505.db2.gz WNJQGNDFZDNFPL-UHFFFAOYSA-N 0 0 349.398 1.355 10 0 EDAERN CC(=O)N[C@H]1CCCN(C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000076513126 441654248 /nfs/dbraw/zinc/65/42/48/441654248.db2.gz NNVSBNFHZAKPQW-IRXDYDNUSA-N 0 0 334.416 1.229 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccc(OC)cc1)CC2 ZINC000114869081 441693964 /nfs/dbraw/zinc/69/39/64/441693964.db2.gz ZSUTYMSZKADURK-AWEZNQCLSA-N 0 0 328.416 1.913 10 0 EDAERN NC(=O)CN1CCC(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000091319850 441694887 /nfs/dbraw/zinc/69/48/87/441694887.db2.gz KOPCQAZAXIRVHD-UHFFFAOYSA-N 0 0 348.834 1.635 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCc1nccs1)CC2 ZINC000158194570 441704352 /nfs/dbraw/zinc/70/43/52/441704352.db2.gz XNLBGTNNYVQUTQ-LLVKDONJSA-N 0 0 334.449 1.715 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1cccc(O)c1)CC2 ZINC000114967259 441704714 /nfs/dbraw/zinc/70/47/14/441704714.db2.gz LBHYTUIYLZHAIE-AAEUAGOBSA-N 0 0 329.404 1.921 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@H](C)N1CCOCC1 ZINC000114587110 441668044 /nfs/dbraw/zinc/66/80/44/441668044.db2.gz NEZVCNQTXNKFCO-XJKSGUPXSA-N 0 0 349.479 1.604 10 0 EDAERN Cc1nnc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000115633938 441765740 /nfs/dbraw/zinc/76/57/40/441765740.db2.gz KUMXYBWATZRKMN-UHFFFAOYSA-N 0 0 335.437 1.320 10 0 EDAERN C[C@H](C(=O)N[C@H]1COc2ccccc21)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000121734433 441768270 /nfs/dbraw/zinc/76/82/70/441768270.db2.gz LJEJGPNHYKICJL-CXTNEJHOSA-N 0 0 342.395 1.800 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116370531 441815458 /nfs/dbraw/zinc/81/54/58/441815458.db2.gz QEYPIMVDKBPXDQ-CYBMUJFWSA-N 0 0 349.412 1.385 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1cccn(C)c1=O)CC2 ZINC000173531673 441782150 /nfs/dbraw/zinc/78/21/50/441782150.db2.gz IHTVLXRXSLKOKG-NSHDSACASA-N 0 0 330.392 1.237 10 0 EDAERN C=CC[C@H](CNC(=O)[C@@H](N)CC(N)=O)Cc1cccc2ccccc21 ZINC000138168996 441784812 /nfs/dbraw/zinc/78/48/12/441784812.db2.gz BHNONZMLUMLWEP-KSSFIOAISA-N 0 0 339.439 1.894 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCOc3cccc(C)c3)CCO2)[nH]1 ZINC000173552935 441788882 /nfs/dbraw/zinc/78/88/82/441788882.db2.gz LZEGHOWXACWZBP-OAHLLOKOSA-N 0 0 330.388 1.791 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cn(CCC(C)C)nn3)CCO2)[nH]1 ZINC000173555991 441790504 /nfs/dbraw/zinc/79/05/04/441790504.db2.gz WZTOQYMRIOUDBT-ZDUSSCGKSA-N 0 0 347.423 1.218 10 0 EDAERN Cc1ccc(-n2cc(C(=O)N3CC[C@@H](c4cnn(C)c4)C3)nn2)cc1 ZINC000116113728 441793624 /nfs/dbraw/zinc/79/36/24/441793624.db2.gz SKZUUCFUACSFTI-CQSZACIVSA-N 0 0 336.399 1.939 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C3(c4ccccc4)CC3)CCO2)[nH]1 ZINC000173570406 441794985 /nfs/dbraw/zinc/79/49/85/441794985.db2.gz XXHJSWARGPBAOD-CQSZACIVSA-N 0 0 326.400 1.999 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccco2)cs1 ZINC000116211853 441801810 /nfs/dbraw/zinc/80/18/10/441801810.db2.gz FWGWTCKFPHCNHC-JTQLQIEISA-N 0 0 326.399 1.966 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116228748 441803692 /nfs/dbraw/zinc/80/36/92/441803692.db2.gz JEOGFYOYTVYJOR-ZIAGYGMSSA-N 0 0 341.415 1.946 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)N1CCSc2ccccc21 ZINC000173924178 441862269 /nfs/dbraw/zinc/86/22/69/441862269.db2.gz KFZBBWSOIFAAAS-OAHLLOKOSA-N 0 0 347.484 1.532 10 0 EDAERN Cc1nnc(CC(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000173925133 441864081 /nfs/dbraw/zinc/86/40/81/441864081.db2.gz SKJNGIXQWSRUHY-NEPJUHHUSA-N 0 0 338.408 1.730 10 0 EDAERN O=C(NCCNC(=O)N1CCC[C@H](n2cncn2)C1)c1cccs1 ZINC000173945579 441867259 /nfs/dbraw/zinc/86/72/59/441867259.db2.gz RKKZITOHSRYRNE-LBPRGKRZSA-N 0 0 348.432 1.116 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)n1 ZINC000116775960 441841859 /nfs/dbraw/zinc/84/18/59/441841859.db2.gz GBUFXMANANZDIK-AWEZNQCLSA-N 0 0 341.415 1.546 10 0 EDAERN C[C@H]1CN(C(=O)COc2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000173849243 441849720 /nfs/dbraw/zinc/84/97/20/441849720.db2.gz WUYQKKVNFDMFPO-ZFWWWQNUSA-N 0 0 338.835 1.898 10 0 EDAERN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000141512432 441852367 /nfs/dbraw/zinc/85/23/67/441852367.db2.gz YNSPUSIAMYISRJ-KCPJHIHWSA-N 0 0 347.394 1.543 10 0 EDAERN O=S(=O)(c1ccc(N2C[C@@H]3CC=CC[C@@H]3C2)nc1)N1CCOCC1 ZINC000078370868 441926146 /nfs/dbraw/zinc/92/61/46/441926146.db2.gz ATSNORBKCDBXAQ-GASCZTMLSA-N 0 0 349.456 1.505 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cscn2)ncn1 ZINC000174463594 441926924 /nfs/dbraw/zinc/92/69/24/441926924.db2.gz OIXQTPBUNJZRON-LBPRGKRZSA-N 0 0 347.448 1.443 10 0 EDAERN CSc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000145217766 441888586 /nfs/dbraw/zinc/88/85/86/441888586.db2.gz DEIDIWXMKQZWLC-CYBMUJFWSA-N 0 0 328.459 1.650 10 0 EDAERN CNC(=O)c1cccnc1N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000078518983 441940473 /nfs/dbraw/zinc/94/04/73/441940473.db2.gz YLPSCAUKLNQHCY-SNVBAGLBSA-N 0 0 344.337 1.336 10 0 EDAERN CC(=O)N1CC[C@@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000150837857 441959962 /nfs/dbraw/zinc/95/99/62/441959962.db2.gz YFQFZDIWYCSEOM-MRXNPFEDSA-N 0 0 345.447 1.279 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1cccc(-n2cccn2)c1 ZINC000174748388 441964099 /nfs/dbraw/zinc/96/40/99/441964099.db2.gz ISXKCGVZQOBTLG-YOEHRIQHSA-N 0 0 343.431 1.563 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000119856009 441964836 /nfs/dbraw/zinc/96/48/36/441964836.db2.gz KXTFFIJMDYHKBC-LLVKDONJSA-N 0 0 345.212 1.578 10 0 EDAERN CNC(=O)COc1cccc(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000119856603 441965289 /nfs/dbraw/zinc/96/52/89/441965289.db2.gz CRLYDRSXDTWQIC-IRXDYDNUSA-N 0 0 346.427 1.524 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(NC=O)cc3)CC2)n1 ZINC000174770803 441967044 /nfs/dbraw/zinc/96/70/44/441967044.db2.gz CKTASDCGBRUHEM-GFCCVEGCSA-N 0 0 343.387 1.465 10 0 EDAERN O=C(COc1ccc2ccc(=O)oc2c1)N[C@H]1CCCC[C@@H]1CO ZINC000151059042 441997859 /nfs/dbraw/zinc/99/78/59/441997859.db2.gz YABOGZPBOUWJNR-HIFRSBDPSA-N 0 0 331.368 1.839 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1CO)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000151070008 442000444 /nfs/dbraw/zinc/00/04/44/442000444.db2.gz OHCWAXDZWYPQNG-HZPDHXFCSA-N 0 0 343.427 1.832 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000151094505 442004495 /nfs/dbraw/zinc/00/44/95/442004495.db2.gz AIUWRJBKWXCCQT-XJKSGUPXSA-N 0 0 349.479 1.979 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000151126189 442009757 /nfs/dbraw/zinc/00/97/57/442009757.db2.gz GSOQHUGDOVBRLA-KXBFYZLASA-N 0 0 346.427 1.579 10 0 EDAERN COCCCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000175179217 442011504 /nfs/dbraw/zinc/01/15/04/442011504.db2.gz IWKLLHODYMDLMM-MRXNPFEDSA-N 0 0 334.416 1.795 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1S(C)(=O)=O ZINC000151231544 442028761 /nfs/dbraw/zinc/02/87/61/442028761.db2.gz UZHAOQLNACDJKU-LBPRGKRZSA-N 0 0 348.428 1.509 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccnn2C)ncn1 ZINC000125651142 442039866 /nfs/dbraw/zinc/03/98/66/442039866.db2.gz GHMZEXDRHVQRTK-LLVKDONJSA-N 0 0 330.396 1.042 10 0 EDAERN COc1cc(OC)cc(N2CC[C@H](NC(=O)C[C@@H](O)C(C)C)C2)c1 ZINC000161890380 442040925 /nfs/dbraw/zinc/04/09/25/442040925.db2.gz HZBIXJQCKPVBPX-SUMWQHHRSA-N 0 0 336.432 1.806 10 0 EDAERN C[C@@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)C1CCOCC1 ZINC000151383877 442053454 /nfs/dbraw/zinc/05/34/54/442053454.db2.gz NVRHGAXVKGWGLG-OAHLLOKOSA-N 0 0 349.479 1.453 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)[C@@H]1CCCO1 ZINC000120371054 442058575 /nfs/dbraw/zinc/05/85/75/442058575.db2.gz CLWBZLYYLPQIJM-HZMBPMFUSA-N 0 0 347.350 1.029 10 0 EDAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151561130 442084646 /nfs/dbraw/zinc/08/46/46/442084646.db2.gz HMYJIRXBGWPVHZ-YJBOKZPZSA-N 0 0 341.415 1.358 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175559385 442085961 /nfs/dbraw/zinc/08/59/61/442085961.db2.gz IHSCJKKHVQETGO-CHWSQXEVSA-N 0 0 326.356 1.096 10 0 EDAERN CCN(CC(=O)Nc1c(C)cccc1C)C[C@@H](O)CN1CCCC1=O ZINC000126470616 442115787 /nfs/dbraw/zinc/11/57/87/442115787.db2.gz WTVBQHLZTVMIDR-MRXNPFEDSA-N 0 0 347.459 1.547 10 0 EDAERN NC(=O)NCc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000126563243 442122401 /nfs/dbraw/zinc/12/24/01/442122401.db2.gz YDNRQRVLSNJYLN-UHFFFAOYSA-N 0 0 341.415 1.604 10 0 EDAERN COc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000175863765 442137297 /nfs/dbraw/zinc/13/72/97/442137297.db2.gz YZHQURPQNXZKRO-ZIAGYGMSSA-N 0 0 345.403 1.463 10 0 EDAERN CCOc1cccc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175660345 442100289 /nfs/dbraw/zinc/10/02/89/442100289.db2.gz ZIYCEDNQUAXCOL-MAUKXSAKSA-N 0 0 347.459 1.947 10 0 EDAERN COc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)nn1 ZINC000121039792 442169147 /nfs/dbraw/zinc/16/91/47/442169147.db2.gz KWTYCJHXVWVJSM-GFCCVEGCSA-N 0 0 328.376 1.016 10 0 EDAERN Cc1nc2cc(C(=O)N3CCN(CC4CCCC4)C(=O)C3)cnc2[nH]1 ZINC000097108275 442170696 /nfs/dbraw/zinc/17/06/96/442170696.db2.gz SAXMVDFXMSSQPX-UHFFFAOYSA-N 0 0 341.415 1.741 10 0 EDAERN CCN(CCS(C)(=O)=O)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000152219788 442183246 /nfs/dbraw/zinc/18/32/46/442183246.db2.gz MFYDHMMDVOMVGY-OAHLLOKOSA-N 0 0 326.462 1.052 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000121255747 442196368 /nfs/dbraw/zinc/19/63/68/442196368.db2.gz AJYMJVCPPIBWGO-HNNXBMFYSA-N 0 0 331.416 1.677 10 0 EDAERN O=C1CNC(=O)N1CCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121257487 442197184 /nfs/dbraw/zinc/19/71/84/442197184.db2.gz STHHTUFDJGEQCU-BXUZGUMPSA-N 0 0 339.342 1.014 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCN1CCOC ZINC000152339107 442199600 /nfs/dbraw/zinc/19/96/00/442199600.db2.gz XSEUVVCIVIQQKN-MRXNPFEDSA-N 0 0 343.431 1.450 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000127008895 442161697 /nfs/dbraw/zinc/16/16/97/442161697.db2.gz KXWNGFXVBLLCEF-WDEREUQCSA-N 0 0 329.393 1.620 10 0 EDAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCCn1cc(C)cn1)CC2 ZINC000163412747 442163546 /nfs/dbraw/zinc/16/35/46/442163546.db2.gz LLERWPKAQCOFPT-HUUCEWRRSA-N 0 0 336.436 1.153 10 0 EDAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000163400775 442163641 /nfs/dbraw/zinc/16/36/41/442163641.db2.gz HXCJRIHMFAYKML-GFCCVEGCSA-N 0 0 336.823 1.679 10 0 EDAERN O=C(Nc1cccnc1-c1ccccc1)C(=O)N1CCC[C@H]1CO ZINC000121003752 442164287 /nfs/dbraw/zinc/16/42/87/442164287.db2.gz GBJWDZXLNIKUMS-AWEZNQCLSA-N 0 0 325.368 1.670 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCC(=O)N[C@H](C)CC ZINC000176334783 442212008 /nfs/dbraw/zinc/21/20/08/442212008.db2.gz JJIYJDAYRUNBMV-VXGBXAGGSA-N 0 0 336.440 1.279 10 0 EDAERN CCOC(=O)CC[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000127681416 442219129 /nfs/dbraw/zinc/21/91/29/442219129.db2.gz HALYNPPOQRWIFL-ZIAGYGMSSA-N 0 0 349.435 1.358 10 0 EDAERN C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000127688437 442219793 /nfs/dbraw/zinc/21/97/93/442219793.db2.gz FFDBLOGGNVZGQU-SNVBAGLBSA-N 0 0 347.387 1.361 10 0 EDAERN CC(C)Oc1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)ccn1 ZINC000127692211 442220085 /nfs/dbraw/zinc/22/00/85/442220085.db2.gz QZZVITZTYZLHAN-CYBMUJFWSA-N 0 0 330.392 1.275 10 0 EDAERN CC(C)Oc1cc(CNC(=O)N[C@H]2CCc3ncnn3C2)ccn1 ZINC000127692401 442220584 /nfs/dbraw/zinc/22/05/84/442220584.db2.gz QZZVITZTYZLHAN-ZDUSSCGKSA-N 0 0 330.392 1.275 10 0 EDAERN COCCCC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176555160 442233635 /nfs/dbraw/zinc/23/36/35/442233635.db2.gz VXQRJXXIJKCRFQ-AWEZNQCLSA-N 0 0 326.462 1.973 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)[C@H](C)n2cncn2)N2CCOCC2)s1 ZINC000176573682 442236366 /nfs/dbraw/zinc/23/63/66/442236366.db2.gz MXCPKGNETLSYNY-UONOGXRCSA-N 0 0 349.460 1.399 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C ZINC000127996901 442238891 /nfs/dbraw/zinc/23/88/91/442238891.db2.gz FAWXLVWQCXONHO-OAHLLOKOSA-N 0 0 343.431 1.450 10 0 EDAERN C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(Cc1nnc(C3CC3)n1C)C2=O ZINC000128090434 442244390 /nfs/dbraw/zinc/24/43/90/442244390.db2.gz DWDIVHZZIDGHQN-QWRGUYRKSA-N 0 0 331.420 1.939 10 0 EDAERN CNC(=O)CCN(C)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000170785138 442264227 /nfs/dbraw/zinc/26/42/27/442264227.db2.gz IAVMOQINAUACFG-INIZCTEOSA-N 0 0 333.432 1.344 10 0 EDAERN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000153292237 442273839 /nfs/dbraw/zinc/27/38/39/442273839.db2.gz ZRWCIGCVLVJKMS-KBXCAEBGSA-N 0 0 332.400 1.209 10 0 EDAERN CC(=O)c1cccc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000176949816 442276847 /nfs/dbraw/zinc/27/68/47/442276847.db2.gz OYZDNAQFGLTLMV-CQSZACIVSA-N 0 0 329.360 1.921 10 0 EDAERN O=C(C[C@H]1CSCCS1)N1CCC[C@H](Cn2cncn2)C1 ZINC000153350945 442276947 /nfs/dbraw/zinc/27/69/47/442276947.db2.gz ACSWEFLRJOJZIE-STQMWFEESA-N 0 0 326.491 1.755 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)C[C@@H](C)O1 ZINC000176955044 442277283 /nfs/dbraw/zinc/27/72/83/442277283.db2.gz FYBNEJYRJJOTNK-GHMZBOCLSA-N 0 0 339.823 1.980 10 0 EDAERN COc1ccc(Cl)cc1CN(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000170924821 442290035 /nfs/dbraw/zinc/29/00/35/442290035.db2.gz AZAXMYAFIVANKO-AWEZNQCLSA-N 0 0 341.839 1.821 10 0 EDAERN C[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000129029735 442298904 /nfs/dbraw/zinc/29/89/04/442298904.db2.gz RCSKDKFPTJQYRA-KDOFPFPSSA-N 0 0 338.407 1.751 10 0 EDAERN CCNc1ncc(C(=O)N2CCN(CCOCC)[C@@H](C)C2)s1 ZINC000129049350 442299642 /nfs/dbraw/zinc/29/96/42/442299642.db2.gz GPZYXDRIOBBVOJ-LBPRGKRZSA-N 0 0 326.466 1.758 10 0 EDAERN CC(=O)Nc1ccc(CCNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177321849 442328666 /nfs/dbraw/zinc/32/86/66/442328666.db2.gz ZUBVLCPUUMGXPZ-OAHLLOKOSA-N 0 0 342.403 1.613 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)[C@@H]1CCCO1 ZINC000171227336 442330694 /nfs/dbraw/zinc/33/06/94/442330694.db2.gz XSVDZURTBGUEEC-MFKMUULPSA-N 0 0 330.344 1.359 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)CC[C@@H]3CCOC3)CC2)n1 ZINC000177352040 442331108 /nfs/dbraw/zinc/33/11/08/442331108.db2.gz BSEZXDAKXDWKHX-ZIAGYGMSSA-N 0 0 336.436 1.654 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177389010 442335537 /nfs/dbraw/zinc/33/55/37/442335537.db2.gz DLGIVKCFWJTZFH-CQSZACIVSA-N 0 0 330.432 1.388 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000177403221 442336998 /nfs/dbraw/zinc/33/69/98/442336998.db2.gz WQMTYSQGPBKQRC-INIZCTEOSA-N 0 0 344.415 1.280 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177403559 442337331 /nfs/dbraw/zinc/33/73/31/442337331.db2.gz IYLPGKWYLMAWCI-MRXNPFEDSA-N 0 0 344.415 1.280 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ncccc2OCC(F)(F)F)C1 ZINC000177447350 442342177 /nfs/dbraw/zinc/34/21/77/442342177.db2.gz ZXEQGCJDYHCYHK-JTQLQIEISA-N 0 0 333.310 1.083 10 0 EDAERN C[C@@H](SC[C@H](O)CO)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000177446433 442342693 /nfs/dbraw/zinc/34/26/93/442342693.db2.gz DTTXBPLRYHHVSQ-RFZPGFLSSA-N 0 0 345.289 1.796 10 0 EDAERN C[C@H](CC(=O)N1CCC[C@@H]1C(=O)N(C)C)NC(=O)C1CCCCC1 ZINC000171358136 442343223 /nfs/dbraw/zinc/34/32/23/442343223.db2.gz DUZLRUXWQOPLPE-UKRRQHHQSA-N 0 0 337.464 1.541 10 0 EDAERN CCOCCCn1c2ccccc2nc1NC(=O)[C@H]1CNC(=O)C1 ZINC000171072105 442306809 /nfs/dbraw/zinc/30/68/09/442306809.db2.gz XPAIUMZKVOPJNP-GFCCVEGCSA-N 0 0 330.388 1.538 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1ncc(C)s1)CC2 ZINC000177524445 442353222 /nfs/dbraw/zinc/35/32/22/442353222.db2.gz YWMKLKVZKDCCIH-GHMZBOCLSA-N 0 0 334.449 1.981 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CCC[C@H](NC(C)=O)C3)[nH]n2)cc1 ZINC000153927217 442311403 /nfs/dbraw/zinc/31/14/03/442311403.db2.gz ORVZANMFNPUHOB-AWEZNQCLSA-N 0 0 342.399 1.826 10 0 EDAERN CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177243316 442318869 /nfs/dbraw/zinc/31/88/69/442318869.db2.gz VKCMIIJPSIGMTN-DZGCQCFKSA-N 0 0 336.432 1.781 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177654123 442367359 /nfs/dbraw/zinc/36/73/59/442367359.db2.gz FKUTUUBVEMFFBY-CYBMUJFWSA-N 0 0 346.362 1.197 10 0 EDAERN C[C@@H](CC(=O)N1CCC[C@H](n2cncn2)C1)NC(=O)c1ccccc1 ZINC000171664620 442367972 /nfs/dbraw/zinc/36/79/72/442367972.db2.gz TVSWWSDSNRRTGV-HOCLYGCPSA-N 0 0 341.415 1.650 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCC[S@](C)=O ZINC000171752747 442377394 /nfs/dbraw/zinc/37/73/94/442377394.db2.gz BIHADYQPOPRRDI-HMFCALDFSA-N 0 0 338.473 1.716 10 0 EDAERN CC(=O)N1CCOC[C@H]1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000155213283 442382352 /nfs/dbraw/zinc/38/23/52/442382352.db2.gz OHLZISCNKXUVHX-INIZCTEOSA-N 0 0 333.363 1.213 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(C)nc3onc(C)c32)n1 ZINC000155397739 442395438 /nfs/dbraw/zinc/39/54/38/442395438.db2.gz RBIORJLHSAGJDU-GFCCVEGCSA-N 0 0 343.343 1.745 10 0 EDAERN C[C@@H](CNC(=O)NCCOc1ncccc1Cl)N1CCOCC1 ZINC000155416462 442396607 /nfs/dbraw/zinc/39/66/07/442396607.db2.gz JFNGRHNQPQUXSN-LBPRGKRZSA-N 0 0 342.827 1.134 10 0 EDAERN O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000178024485 442402244 /nfs/dbraw/zinc/40/22/44/442402244.db2.gz FKBFAJPVRXLMTK-INIZCTEOSA-N 0 0 336.355 1.351 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000172127919 442412341 /nfs/dbraw/zinc/41/23/41/442412341.db2.gz JYMVMSPONROKQO-FUHWJXTLSA-N 0 0 340.427 1.917 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000155641100 442415204 /nfs/dbraw/zinc/41/52/04/442415204.db2.gz IHOMOWYDAMPUQQ-CYBMUJFWSA-N 0 0 337.387 1.891 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cc(C)nn2-c2ccccn2)c1 ZINC000172216826 442424938 /nfs/dbraw/zinc/42/49/38/442424938.db2.gz RKPSULBSHDQYON-UHFFFAOYSA-N 0 0 325.376 1.902 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CCN1CCOC ZINC000172230385 442426474 /nfs/dbraw/zinc/42/64/74/442426474.db2.gz CREBUCLMDYVLLA-WNSKOXEYSA-N 0 0 338.473 1.607 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCOc1ccc(Cl)cc1)C(C)C ZINC000178395638 442429947 /nfs/dbraw/zinc/42/99/47/442429947.db2.gz ITLLHTBXVAZHNG-CYBMUJFWSA-N 0 0 327.812 1.789 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](C)N2CCOCC2)C1(C)C ZINC000178537987 442442048 /nfs/dbraw/zinc/44/20/48/442442048.db2.gz HYJHDJFAHJGFRA-RBSFLKMASA-N 0 0 327.469 1.552 10 0 EDAERN COC[C@@H](O)CCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000133999877 442445106 /nfs/dbraw/zinc/44/51/06/442445106.db2.gz PFDWNFLBJWQMGY-CJNGLKHVSA-N 0 0 332.404 1.630 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(OC)ccc1F ZINC000156184235 442453196 /nfs/dbraw/zinc/45/31/96/442453196.db2.gz GWSNKGWVVJQKPX-LBPRGKRZSA-N 0 0 337.395 1.716 10 0 EDAERN CS(=O)(=O)c1csc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000156500709 442487712 /nfs/dbraw/zinc/48/77/12/442487712.db2.gz MXVQOAUYZQYFPG-IAQYHMDHSA-N 0 0 343.470 1.919 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCCN(C)c1ccccc1 ZINC000156513869 442489464 /nfs/dbraw/zinc/48/94/64/442489464.db2.gz YUGZYHLNISQMCN-MRXNPFEDSA-N 0 0 332.448 1.823 10 0 EDAERN COCCCOCCN(C)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000179731278 442495162 /nfs/dbraw/zinc/49/51/62/442495162.db2.gz IGNXGGRFYIKPDW-ZDUSSCGKSA-N 0 0 339.440 1.370 10 0 EDAERN COc1ccc(O)c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000156572435 442496692 /nfs/dbraw/zinc/49/66/92/442496692.db2.gz QJVZKVYRNPITQD-LBPRGKRZSA-N 0 0 328.372 1.590 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C/C=C/CN1CCC[C@@]1(C)C(=O)OC ZINC000186316578 442510475 /nfs/dbraw/zinc/51/04/75/442510475.db2.gz AOXYXVLWJFUPEC-FBLDJFESSA-N 0 0 338.448 1.598 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cccc(C(N)=O)c3)CCO2)cn1 ZINC000191785259 442510623 /nfs/dbraw/zinc/51/06/23/442510623.db2.gz LSYQCLFQNNAYCE-HNNXBMFYSA-N 0 0 328.372 1.216 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000156270310 442461608 /nfs/dbraw/zinc/46/16/08/442461608.db2.gz ATVROJCWIGSXQM-LLVKDONJSA-N 0 0 342.403 1.857 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)C(C)C ZINC000178716240 442461603 /nfs/dbraw/zinc/46/16/03/442461603.db2.gz JUJPUNQFPCNICX-NVXWUHKLSA-N 0 0 345.443 1.230 10 0 EDAERN COc1cc(F)cc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000179473291 442461946 /nfs/dbraw/zinc/46/19/46/442461946.db2.gz LICMUUPTEMBJIZ-HNNXBMFYSA-N 0 0 337.395 1.450 10 0 EDAERN CN1CCO[C@@H](CNC(=O)CSc2nccc3ccccc32)C1 ZINC000156330158 442469247 /nfs/dbraw/zinc/46/92/47/442469247.db2.gz ZHJROPQNMBZLAB-AWEZNQCLSA-N 0 0 331.441 1.774 10 0 EDAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000178784032 442484872 /nfs/dbraw/zinc/48/48/72/442484872.db2.gz VPIVSZMDUHRQGB-STQMWFEESA-N 0 0 346.387 1.407 10 0 EDAERN Cc1cnn(-c2ccc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc2)c1 ZINC000172760376 442536902 /nfs/dbraw/zinc/53/69/02/442536902.db2.gz WJCGMBDKOOKTAQ-SFHVURJKSA-N 0 0 340.427 1.727 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1nc[nH]n1 ZINC000172645726 442513376 /nfs/dbraw/zinc/51/33/76/442513376.db2.gz UYTNEQBOKGVEMA-WFASDCNBSA-N 0 0 329.404 1.608 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(C)c2F)n1 ZINC000186346802 442517307 /nfs/dbraw/zinc/51/73/07/442517307.db2.gz VCWGAZMQMKKPFV-NSHDSACASA-N 0 0 341.364 1.588 10 0 EDAERN CSCc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000186357362 442518667 /nfs/dbraw/zinc/51/86/67/442518667.db2.gz FLOBPKSBLRQVEK-ZDUSSCGKSA-N 0 0 345.428 1.731 10 0 EDAERN CN(CC(=O)NC[C@H]1CCCC[C@H]1O)C(=O)OCc1ccccc1 ZINC000191824239 442518821 /nfs/dbraw/zinc/51/88/21/442518821.db2.gz JYZYALKHHCRVPH-HZPDHXFCSA-N 0 0 334.416 1.922 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)CC(C)(C)CC(C)=O)CC2)n1 ZINC000191830802 442519850 /nfs/dbraw/zinc/51/98/50/442519850.db2.gz MAPDQZNIGWBOOR-UHFFFAOYSA-N 0 0 348.447 1.919 10 0 EDAERN CC(C)COc1ncccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172746497 442531022 /nfs/dbraw/zinc/53/10/22/442531022.db2.gz QCEPQVDAIKOHDZ-HNNXBMFYSA-N 0 0 333.432 1.663 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000172952123 442571974 /nfs/dbraw/zinc/57/19/74/442571974.db2.gz MRUKUPXKBCFJGD-CQSZACIVSA-N 0 0 337.383 1.997 10 0 EDAERN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1nnc2n1CCCC2 ZINC000135248120 442572283 /nfs/dbraw/zinc/57/22/83/442572283.db2.gz BUSKZNAITBLCCF-NSHDSACASA-N 0 0 328.372 1.877 10 0 EDAERN CN1CCc2ccc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)cc21 ZINC000180290642 442574957 /nfs/dbraw/zinc/57/49/57/442574957.db2.gz XRMUSDNUTPTFMX-MRXNPFEDSA-N 0 0 330.432 1.617 10 0 EDAERN O=Cc1cccc(OCC(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000135308885 442577918 /nfs/dbraw/zinc/57/79/18/442577918.db2.gz AOZYAHLMOGGOPS-HNNXBMFYSA-N 0 0 340.383 1.453 10 0 EDAERN C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1nnc2n1CCCC2 ZINC000135345034 442583250 /nfs/dbraw/zinc/58/32/50/442583250.db2.gz AMYCBSCBEVPJKA-SECBINFHSA-N 0 0 344.400 1.175 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1noc(-c2ccccc2)n1 ZINC000135401877 442591114 /nfs/dbraw/zinc/59/11/14/442591114.db2.gz QESVVYCWJAEIDR-GXTWGEPZSA-N 0 0 345.403 1.427 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCSCc1ccccc1F ZINC000179223322 442600282 /nfs/dbraw/zinc/60/02/82/442600282.db2.gz JRHHDZZAEHRKJG-AWEZNQCLSA-N 0 0 339.436 1.979 10 0 EDAERN COCCOc1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)ccn1 ZINC000180445128 442603601 /nfs/dbraw/zinc/60/36/01/442603601.db2.gz PDDSQXWJPWARRL-AWEZNQCLSA-N 0 0 345.403 1.251 10 0 EDAERN C[C@@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000186952605 442636255 /nfs/dbraw/zinc/63/62/55/442636255.db2.gz YYAZRZMYPOCJTH-ZIAGYGMSSA-N 0 0 341.415 1.805 10 0 EDAERN CCOCCC1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCCC1 ZINC000135848629 442637239 /nfs/dbraw/zinc/63/72/39/442637239.db2.gz KZRKONWEPFLEBY-AWEZNQCLSA-N 0 0 335.452 1.879 10 0 EDAERN C[C@H]1CN(C(=O)CCC(=O)OC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000192393907 442644989 /nfs/dbraw/zinc/64/49/89/442644989.db2.gz VRGBUFZBMVJEQP-UONOGXRCSA-N 0 0 326.437 1.287 10 0 EDAERN Cc1c(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cccc1N(C)C ZINC000180674786 442646276 /nfs/dbraw/zinc/64/62/76/442646276.db2.gz JLCZGISCNXWHSF-HNNXBMFYSA-N 0 0 344.459 1.696 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000136018999 442646390 /nfs/dbraw/zinc/64/63/90/442646390.db2.gz FPTCRPVEGLREMH-ZJUUUORDSA-N 0 0 333.431 1.507 10 0 EDAERN CCCS(=O)(=O)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000192216122 442615662 /nfs/dbraw/zinc/61/56/62/442615662.db2.gz BYJVBOMWVXBMHW-UHFFFAOYSA-N 0 0 348.509 1.854 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c(F)c1 ZINC000135615041 442618216 /nfs/dbraw/zinc/61/82/16/442618216.db2.gz OGFYBEJOQIKPFK-AWEZNQCLSA-N 0 0 334.351 1.612 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCCC2)O1)N[C@@H]1CCCn2ncnc21 ZINC000180761035 442657529 /nfs/dbraw/zinc/65/75/29/442657529.db2.gz BSNLSJDOACNUFQ-ZIAGYGMSSA-N 0 0 349.435 1.878 10 0 EDAERN CCS[C@H]1CCC[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187429410 442676371 /nfs/dbraw/zinc/67/63/71/442676371.db2.gz SOWXSLMOHHWEHA-OCCSQVGLSA-N 0 0 325.478 1.971 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3c[nH]nc3-c3ccsc3)CCO2)[nH]1 ZINC000187557488 442681630 /nfs/dbraw/zinc/68/16/30/442681630.db2.gz YPVXKPHPPVITKR-LBPRGKRZSA-N 0 0 344.400 1.778 10 0 EDAERN Cn1nnc2cc(C(=O)N3C[C@@H](CO)[C@@H](c4ccsc4)C3)cnc21 ZINC000187635967 442683245 /nfs/dbraw/zinc/68/32/45/442683245.db2.gz QCDJIFQKUNMLJO-QWHCGFSZSA-N 0 0 343.412 1.273 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1OCC(C)C ZINC000192835934 442691291 /nfs/dbraw/zinc/69/12/91/442691291.db2.gz ISMCNISZQDBYTA-HZPDHXFCSA-N 0 0 334.416 1.319 10 0 EDAERN O=C(NC1CN(S(=O)(=O)C2=Cc3ccccc3CC2)C1)C1CC1 ZINC000187918450 442697842 /nfs/dbraw/zinc/69/78/42/442697842.db2.gz JXLDMAWDACTFIK-UHFFFAOYSA-N 0 0 332.425 1.514 10 0 EDAERN C[C@@H](NCc1nnc(C2CCC2)n1C)c1ccc(S(N)(=O)=O)cc1 ZINC000181566637 442704720 /nfs/dbraw/zinc/70/47/20/442704720.db2.gz KUZULQHRZJOTMQ-LLVKDONJSA-N 0 0 349.460 1.581 10 0 EDAERN C[C@@H](O)CNC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000192533204 442659214 /nfs/dbraw/zinc/65/92/14/442659214.db2.gz ALOXKUVMSILWIU-CKEIUWERSA-N 0 0 336.432 1.992 10 0 EDAERN CN(C(=O)CNC(=O)C(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000136374040 442661423 /nfs/dbraw/zinc/66/14/23/442661423.db2.gz DSTSJPCPXADLJK-ZDUSSCGKSA-N 0 0 333.436 1.066 10 0 EDAERN CS(=O)(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000187264036 442665597 /nfs/dbraw/zinc/66/55/97/442665597.db2.gz JPMROHLZUFYSBX-NEPJUHHUSA-N 0 0 344.383 1.076 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000187369875 442672552 /nfs/dbraw/zinc/67/25/52/442672552.db2.gz WVWAHFZSXSLNMM-NXEZZACHSA-N 0 0 326.194 1.253 10 0 EDAERN Cc1c(C(=O)NC[C@H](C)N2CCOCC2)cnn1Cc1ccccc1 ZINC000192650966 442672622 /nfs/dbraw/zinc/67/26/22/442672622.db2.gz JDHSCWABHBQIKC-HNNXBMFYSA-N 0 0 342.443 1.690 10 0 EDAERN Cc1cnc(CNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000181611670 442706699 /nfs/dbraw/zinc/70/66/99/442706699.db2.gz IZJVAGSRCQXXJC-NSHDSACASA-N 0 0 334.449 1.981 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(F)cc2F)C1 ZINC000188138804 442715427 /nfs/dbraw/zinc/71/54/27/442715427.db2.gz OJHRSULVBOAJCR-VIFPVBQESA-N 0 0 327.331 1.182 10 0 EDAERN CCCc1csc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)n1 ZINC000193128731 442715763 /nfs/dbraw/zinc/71/57/63/442715763.db2.gz KWDZAEPVHWISPW-NSHDSACASA-N 0 0 348.432 1.585 10 0 EDAERN COC1(CNC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)CCC1 ZINC000181798979 442717440 /nfs/dbraw/zinc/71/74/40/442717440.db2.gz PCITYBQYLSELPT-GFCCVEGCSA-N 0 0 337.424 1.335 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000193148020 442717669 /nfs/dbraw/zinc/71/76/69/442717669.db2.gz XQDYSFOSDWCYDN-ZIAGYGMSSA-N 0 0 348.790 1.446 10 0 EDAERN CCCCN(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000193189466 442721225 /nfs/dbraw/zinc/72/12/25/442721225.db2.gz VPVZWPIUDMJMOE-IAGOWNOFSA-N 0 0 333.432 1.843 10 0 EDAERN COc1cc(NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)ncn1 ZINC000182140990 442739605 /nfs/dbraw/zinc/73/96/05/442739605.db2.gz HHISLGAYWXJUAJ-SNVBAGLBSA-N 0 0 331.380 1.337 10 0 EDAERN COc1cc(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)ncn1 ZINC000182164696 442741193 /nfs/dbraw/zinc/74/11/93/442741193.db2.gz VSYYREYHEZOUFG-JTQLQIEISA-N 0 0 331.380 1.337 10 0 EDAERN Cc1cnccc1CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188428182 442749156 /nfs/dbraw/zinc/74/91/56/442749156.db2.gz GUWGFLYIGPMJKR-IBGZPJMESA-N 0 0 339.439 1.810 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000193057227 442708841 /nfs/dbraw/zinc/70/88/41/442708841.db2.gz IGJABNPFXYZGQZ-LLVKDONJSA-N 0 0 348.794 1.437 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(CCCCO)C1CC1)CC2 ZINC000181753151 442714225 /nfs/dbraw/zinc/71/42/25/442714225.db2.gz PMZOVXUCCBZQMH-ZDUSSCGKSA-N 0 0 335.452 1.663 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(=O)[nH]c3ccccc32)C1)C1CCC1 ZINC000188510188 442758068 /nfs/dbraw/zinc/75/80/68/442758068.db2.gz OEPNBAXDCWFPBL-UHFFFAOYSA-N 0 0 325.368 1.681 10 0 EDAERN CCCc1c(C(=O)NC[C@@H]2CN(C)CCO2)cnn1-c1ccccc1 ZINC000182377088 442761590 /nfs/dbraw/zinc/76/15/90/442761590.db2.gz TZXDRTNFSQSOMK-MRXNPFEDSA-N 0 0 342.443 1.885 10 0 EDAERN COc1ccc2c(c1)C=C(S(=O)(=O)N1CC(NC(C)=O)C1)CC2 ZINC000188544289 442761712 /nfs/dbraw/zinc/76/17/12/442761712.db2.gz XFYGHKIXRCHGBQ-UHFFFAOYSA-N 0 0 336.413 1.132 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C12CCC2 ZINC000188872456 442832597 /nfs/dbraw/zinc/83/25/97/442832597.db2.gz WJJVUSLOXYXJNT-CABCVRRESA-N 0 0 335.448 1.644 10 0 EDAERN CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000194027910 442832886 /nfs/dbraw/zinc/83/28/86/442832886.db2.gz JKJRXLLCHDKKSK-GJZGRUSLSA-N 0 0 347.459 1.661 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1Cc2cc(F)ccc2O1 ZINC000247109192 442835503 /nfs/dbraw/zinc/83/55/03/442835503.db2.gz VQPZSVZNTHBDHX-GDBMZVCRSA-N 0 0 342.374 1.704 10 0 EDAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188893514 442836801 /nfs/dbraw/zinc/83/68/01/442836801.db2.gz OSNNWUFGMUROJG-DYVFJYSZSA-N 0 0 341.411 1.688 10 0 EDAERN COCCN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@H]1C ZINC000247185904 442840439 /nfs/dbraw/zinc/84/04/39/442840439.db2.gz NWNIYQDKBPIAMJ-VVLHAWIVSA-N 0 0 325.497 1.580 10 0 EDAERN CSCc1nc2ccccc2n1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188924017 442843296 /nfs/dbraw/zinc/84/32/96/442843296.db2.gz HSACAMLRXHURAW-GFCCVEGCSA-N 0 0 346.456 1.636 10 0 EDAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)c1nncn1C ZINC000194251847 442865961 /nfs/dbraw/zinc/86/59/61/442865961.db2.gz ZGLWVLJTROADFZ-VXGBXAGGSA-N 0 0 339.440 1.728 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000189054323 442868180 /nfs/dbraw/zinc/86/81/80/442868180.db2.gz GMSWTKCBWWPRPU-GDBMZVCRSA-N 0 0 332.400 1.216 10 0 EDAERN CC[C@H]1CN(C(=O)NCCCOC2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248451802 442893373 /nfs/dbraw/zinc/89/33/73/442893373.db2.gz JZAUEKZVLQZXJJ-HOTGVXAUSA-N 0 0 341.496 1.822 10 0 EDAERN O=Cc1ccc(OCCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000189228522 442901921 /nfs/dbraw/zinc/90/19/21/442901921.db2.gz GWCYKPQEDVYSLE-UHFFFAOYSA-N 0 0 330.384 1.395 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000181683609 318487484 /nfs/dbraw/zinc/48/74/84/318487484.db2.gz GWVMUZZFYQPDHX-JHJVBQTASA-N 0 0 335.452 1.972 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cnsn3)C[C@H]21 ZINC000248621969 442908912 /nfs/dbraw/zinc/90/89/12/442908912.db2.gz TVXVSYZNMSZBPC-HBNTYKKESA-N 0 0 338.433 1.913 10 0 EDAERN C[C@H]1C(=O)NCCCN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000189273447 442909855 /nfs/dbraw/zinc/90/98/55/442909855.db2.gz HSQCKZAIDMAVCZ-JTQLQIEISA-N 0 0 345.382 1.047 10 0 EDAERN O=C(NCc1cc[nH]n1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182391352 318504847 /nfs/dbraw/zinc/50/48/47/318504847.db2.gz KKKGXCYZVQRCJA-ZDUSSCGKSA-N 0 0 329.408 1.774 10 0 EDAERN Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194621225 442925669 /nfs/dbraw/zinc/92/56/69/442925669.db2.gz BQYHKJKGVMQHTD-GFCCVEGCSA-N 0 0 335.429 1.701 10 0 EDAERN CN1CCO[C@@H](CNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000194624856 442926944 /nfs/dbraw/zinc/92/69/44/442926944.db2.gz LTPXNVGDOGTOCA-NSHDSACASA-N 0 0 333.215 1.819 10 0 EDAERN CC(C)c1nnc(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)n1C ZINC000194686405 442937203 /nfs/dbraw/zinc/93/72/03/442937203.db2.gz SLWGFMJUCBSZOH-HNNXBMFYSA-N 0 0 333.417 1.967 10 0 EDAERN O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CNC(=O)C1 ZINC000194788299 442953819 /nfs/dbraw/zinc/95/38/19/442953819.db2.gz HMEMUBFBGFXVKE-LBPRGKRZSA-N 0 0 330.306 1.518 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000183743933 442958541 /nfs/dbraw/zinc/95/85/41/442958541.db2.gz BSAHUJBTLZPNGQ-GFCCVEGCSA-N 0 0 327.337 1.279 10 0 EDAERN C[C@H](c1nnnn1C)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000249293368 442964440 /nfs/dbraw/zinc/96/44/40/442964440.db2.gz MQMANCNAVQXIGB-YVECIDJPSA-N 0 0 336.440 1.506 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000194647417 318592237 /nfs/dbraw/zinc/59/22/37/318592237.db2.gz AYNTXWRFIHLHPJ-KRWDZBQOSA-N 0 0 341.371 1.336 10 0 EDAERN CC(C)c1nnc(CN2CCC[C@H]2C(=O)NCc2ccco2)n1C ZINC000195062711 318594948 /nfs/dbraw/zinc/59/49/48/318594948.db2.gz KXPNJCHGVVZCFL-AWEZNQCLSA-N 0 0 331.420 1.812 10 0 EDAERN C[C@@H]1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC(C)(C)C1 ZINC000184061481 442986613 /nfs/dbraw/zinc/98/66/13/442986613.db2.gz FIYLUOYUQJVUDJ-CHWSQXEVSA-N 0 0 335.448 1.992 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CN1CCCCCC1=O)CC2 ZINC000195291574 443005321 /nfs/dbraw/zinc/00/53/21/443005321.db2.gz ZEHNHAOFETYVLS-CYBMUJFWSA-N 0 0 333.436 1.235 10 0 EDAERN COC(=O)c1coc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000184524082 443033891 /nfs/dbraw/zinc/03/38/91/443033891.db2.gz JSRNNBCWBSXZSK-NSHDSACASA-N 0 0 332.360 1.526 10 0 EDAERN CNS(=O)(=O)c1ccc(OC)c(Nc2ncnc3nc[nH]c32)c1 ZINC000199026645 443047091 /nfs/dbraw/zinc/04/70/91/443047091.db2.gz BPLXBAKTEKOHEK-UHFFFAOYSA-N 0 0 334.361 1.013 10 0 EDAERN Cc1cc(CNC(=O)c2ccccc2F)nc(N2CCOCC2)n1 ZINC000224225340 443097705 /nfs/dbraw/zinc/09/77/05/443097705.db2.gz VLEJXTVKPJBXGF-UHFFFAOYSA-N 0 0 330.363 1.691 10 0 EDAERN COC[C@@H](Cc1ccccc1)N(C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000190059267 443053209 /nfs/dbraw/zinc/05/32/09/443053209.db2.gz ZJJSEGZZCFNNGJ-SJLPKXTDSA-N 0 0 349.475 1.606 10 0 EDAERN COCCn1c(I)cc(=O)nc1SC ZINC000220018580 443063507 /nfs/dbraw/zinc/06/35/07/443063507.db2.gz CMZLPZNHVNVUPE-UHFFFAOYSA-N 0 0 326.159 1.216 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)/C=C\c1ccc3c(c1)OCO3)CC2 ZINC000254965260 443079677 /nfs/dbraw/zinc/07/96/77/443079677.db2.gz JRQVSQCTOPKVSX-IBSXUBTNSA-N 0 0 340.383 1.714 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000190486924 443118639 /nfs/dbraw/zinc/11/86/39/443118639.db2.gz KYGCVDNDTTUKLK-NSHDSACASA-N 0 0 347.444 1.784 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)NCc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000185061717 443128577 /nfs/dbraw/zinc/12/85/77/443128577.db2.gz XODPCQHWPFPOPE-LBPRGKRZSA-N 0 0 328.796 1.808 10 0 EDAERN COc1ccc(NC(=O)CN2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000185075512 443130909 /nfs/dbraw/zinc/13/09/09/443130909.db2.gz NWKXNIULURDOGA-AWEZNQCLSA-N 0 0 332.360 1.399 10 0 EDAERN CCn1cc([C@@H]2CN(CCS(=O)(=O)c3ccccc3)CCO2)cn1 ZINC000190733793 443172820 /nfs/dbraw/zinc/17/28/20/443172820.db2.gz WJRQEESYVKKFAL-KRWDZBQOSA-N 0 0 349.456 1.750 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)C1 ZINC000185283038 443175997 /nfs/dbraw/zinc/17/59/97/443175997.db2.gz FVCKLQSEUJKAMB-UHFFFAOYSA-N 0 0 343.383 1.166 10 0 EDAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)Nc3cc(C)no3)CCO2)cn1 ZINC000190763877 443179728 /nfs/dbraw/zinc/17/97/28/443179728.db2.gz YGMPHGKUSXQGAL-GXTWGEPZSA-N 0 0 333.392 1.600 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000190666318 443160218 /nfs/dbraw/zinc/16/02/18/443160218.db2.gz PURRSOHOQFFJAY-LBPRGKRZSA-N 0 0 331.416 1.660 10 0 EDAERN Cc1ccc2cccc(NC(=O)C(=O)N3CCCNC(=O)[C@@H]3C)c2n1 ZINC000190670716 443161095 /nfs/dbraw/zinc/16/10/95/443161095.db2.gz SPTZLWCLVRVOFA-LBPRGKRZSA-N 0 0 340.383 1.219 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H](C)COC)CC1 ZINC000191018162 443226569 /nfs/dbraw/zinc/22/65/69/443226569.db2.gz LRGYSSBUPSATSS-CQSZACIVSA-N 0 0 342.480 1.924 10 0 EDAERN CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000245512039 443233784 /nfs/dbraw/zinc/23/37/84/443233784.db2.gz ZRLHFYKZUVMRGS-QKPAOTATSA-N 0 0 327.469 1.695 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000185680809 443238171 /nfs/dbraw/zinc/23/81/71/443238171.db2.gz USKFFKNMKZCINT-ZDUSSCGKSA-N 0 0 349.416 1.080 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCc2c[nH]c3c2cccc3C)C1 ZINC000185513463 443211776 /nfs/dbraw/zinc/21/17/76/443211776.db2.gz KOZHUPSNIOLNII-UHFFFAOYSA-N 0 0 344.415 1.175 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000185743805 443248770 /nfs/dbraw/zinc/24/87/70/443248770.db2.gz REDXKIWWALUDIQ-YVEFUNNKSA-N 0 0 331.416 1.466 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000185754581 443251656 /nfs/dbraw/zinc/25/16/56/443251656.db2.gz RRBSYULVUXYQEC-OAHLLOKOSA-N 0 0 335.379 1.360 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)Oc2cccc(CO)c2)C[C@H]1C ZINC000245896431 443255198 /nfs/dbraw/zinc/25/51/98/443255198.db2.gz SNWAJJHOWONVDG-CABCVRRESA-N 0 0 336.432 1.125 10 0 EDAERN CN(Cc1cn(C(C)(C)C)nn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191333929 443280169 /nfs/dbraw/zinc/28/01/69/443280169.db2.gz IRYWIVATAPQRNC-OAHLLOKOSA-N 0 0 329.452 1.924 10 0 EDAERN CCOC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000185909012 443281700 /nfs/dbraw/zinc/28/17/00/443281700.db2.gz GMIYNUMVQOSHKM-CABCVRRESA-N 0 0 349.435 1.769 10 0 EDAERN C[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1nccs1 ZINC000185965567 443291842 /nfs/dbraw/zinc/29/18/42/443291842.db2.gz VBGQNPGCJIABAT-AAEUAGOBSA-N 0 0 332.429 1.642 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2ccc(Cl)c(C)c2)C1 ZINC000185804688 443260911 /nfs/dbraw/zinc/26/09/11/443260911.db2.gz NGZZHLFYHMFLOC-UHFFFAOYSA-N 0 0 325.796 1.305 10 0 EDAERN NC(=O)c1c[nH]c(C(=O)N2CCC[C@H](Nc3ccc(N)nc3)CC2)c1 ZINC000328635671 444406403 /nfs/dbraw/zinc/40/64/03/444406403.db2.gz NODPKNMEKOFHRV-LBPRGKRZSA-N 0 0 342.403 1.982 10 0 EDAERN CC[C@@H](SC)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328644040 444410744 /nfs/dbraw/zinc/41/07/44/444410744.db2.gz ROGXIHQHHHZWKK-SOUVJXGZSA-N 0 0 340.468 1.989 10 0 EDAERN CN1CCO[C@H](CN(CC(N)=O)C(=O)c2cccc(Cl)c2)C1 ZINC000328647553 444412953 /nfs/dbraw/zinc/41/29/53/444412953.db2.gz UAUDPYICRJRNRV-ZDUSSCGKSA-N 0 0 325.796 1.648 10 0 EDAERN CN(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)cn1 ZINC000575603622 325754743 /nfs/dbraw/zinc/75/47/43/325754743.db2.gz LLITXOGOANRKGD-KGLIPLIRSA-N 0 0 337.445 1.337 10 0 EDAERN CC(C)(C)OC(=O)N1CCC(Nc2nc(N)nc(Cl)c2N)CC1 ZINC000575434146 447861216 /nfs/dbraw/zinc/86/12/16/447861216.db2.gz HWBJQUNPJIZKAH-UHFFFAOYSA-N 0 0 342.831 1.528 10 0 EDAERN COc1ccc(OC(F)F)c(Br)c1S(N)(=O)=O ZINC000575684473 447879992 /nfs/dbraw/zinc/87/99/92/447879992.db2.gz RAUSVDURYYQROP-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN COc1cc(Br)c(S(N)(=O)=O)cc1OC(F)F ZINC000575686133 447880055 /nfs/dbraw/zinc/88/00/55/447880055.db2.gz ZMKPMJRHWVNCOE-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN COc1cc(Br)c(OC(F)F)cc1S(N)(=O)=O ZINC000575683116 447880319 /nfs/dbraw/zinc/88/03/19/447880319.db2.gz KMBMJSVQEWNDCD-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617707 448445248 /nfs/dbraw/zinc/44/52/48/448445248.db2.gz HKTYFICWFTYNBT-SFHVURJKSA-N 0 0 339.399 1.729 10 0 EDAERN COCCN(C)c1cnn([C@H]2CCCN(Cc3ccco3)C2)c(=O)c1 ZINC000583618198 448447729 /nfs/dbraw/zinc/44/77/29/448447729.db2.gz KROQKMURPOQOBZ-HNNXBMFYSA-N 0 0 346.431 1.756 10 0 EDAERN CC(C)n1cnc(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583618903 448448433 /nfs/dbraw/zinc/44/84/33/448448433.db2.gz DQVVUNSUVXTEKF-QGZVFWFLSA-N 0 0 346.435 1.760 10 0 EDAERN Cc1cn2nc(N[C@@H]3CCN(C(=O)c4ncoc4C)C3)ccc2n1 ZINC000519441141 448772089 /nfs/dbraw/zinc/77/20/89/448772089.db2.gz KZYCBIZCGAZVDN-GFCCVEGCSA-N 0 0 326.360 1.661 10 0 EDAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1ncc2c(F)cccn21 ZINC000529403178 448857072 /nfs/dbraw/zinc/85/70/72/448857072.db2.gz SETWTODJPCBXQQ-LNSITVRQSA-N 0 0 346.362 1.029 10 0 EDAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000614454827 449620864 /nfs/dbraw/zinc/62/08/64/449620864.db2.gz JJYOGEURGZEEGP-RKDXNWHRSA-N 0 0 344.337 1.635 10 0 EDAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC000619293012 450448423 /nfs/dbraw/zinc/44/84/23/450448423.db2.gz FROAJMXQMJRCRC-SUMWQHHRSA-N 0 0 339.399 1.966 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@@H]1c1cc2ccccc2nn1 ZINC000616584736 450453736 /nfs/dbraw/zinc/45/37/36/450453736.db2.gz LVZHLCQJTYWGGK-QGZVFWFLSA-N 0 0 340.408 1.781 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccnc(N)c2)CC1 ZINC000616596251 450454298 /nfs/dbraw/zinc/45/42/98/450454298.db2.gz UIBGQGJEGMBOHE-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN Nc1cc([C@@H]2CCOCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000616596970 450454412 /nfs/dbraw/zinc/45/44/12/450454412.db2.gz BMVDGGFROALHLQ-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccc(N)nc2)CC1 ZINC000616595198 450454588 /nfs/dbraw/zinc/45/45/88/450454588.db2.gz UDDZTDKXMQEQSW-AWEZNQCLSA-N 0 0 336.436 1.952 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@@H]1c1cccc(CCO)c1 ZINC000616679623 450459210 /nfs/dbraw/zinc/45/92/10/450459210.db2.gz FZFGVROCGAGJNX-KRWDZBQOSA-N 0 0 332.425 1.372 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616682628 450460117 /nfs/dbraw/zinc/46/01/17/450460117.db2.gz AEYPTBGKFNTMDC-SNVBAGLBSA-N 0 0 342.421 1.015 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(N2CCCC2=O)cc1 ZINC000616766626 450478512 /nfs/dbraw/zinc/47/85/12/450478512.db2.gz IYLQGSXVJPVPOV-ZMSDIMECSA-N 0 0 340.383 1.114 10 0 EDAERN Cc1cc(OCC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)ccc1Cl ZINC000616766814 450479487 /nfs/dbraw/zinc/47/94/87/450479487.db2.gz QIQACQHPBOMXII-YCPHGPKFSA-N 0 0 335.791 1.714 10 0 EDAERN O=C(CNC(=O)c1cccc(Br)c1)NC1CC(CO)C1 ZINC000620889143 450555097 /nfs/dbraw/zinc/55/50/97/450555097.db2.gz JKJFYOPMJUIHTQ-UHFFFAOYSA-N 0 0 341.205 1.066 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccncc1Br ZINC000633923947 451103881 /nfs/dbraw/zinc/10/38/81/451103881.db2.gz RJSXWBHNFFJPND-SNVBAGLBSA-N 0 0 328.210 1.247 10 0 EDAERN Cn1cc(O[C@@H]2CN(C(=O)c3cccc4cc[nH]c43)C[C@H]2O)cn1 ZINC000628259888 451198994 /nfs/dbraw/zinc/19/89/94/451198994.db2.gz MFMRGVPUWAJJGZ-HUUCEWRRSA-N 0 0 326.356 1.166 10 0 EDAERN COc1ncc(Cl)c(NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000645268996 452246358 /nfs/dbraw/zinc/24/63/58/452246358.db2.gz HEVKQCQZMCSHBB-FZMZJTMJSA-N 0 0 347.806 2.165 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)C[C@H]1C ZINC000245473244 486102804 /nfs/dbraw/zinc/10/28/04/486102804.db2.gz PUYVPUOTUQRMOZ-NXHRZFHOSA-N 0 0 347.459 1.879 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCN1CCO ZINC000250088881 486120180 /nfs/dbraw/zinc/12/01/80/486120180.db2.gz PZEKNNQFWBHHMR-NXHRZFHOSA-N 0 0 332.444 1.679 10 0 EDAERN C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)N1C(=O)c2ccccc2C1=O ZINC000091424093 491199872 /nfs/dbraw/zinc/19/98/72/491199872.db2.gz NKAMDCJQTHATQV-NHYWBVRUSA-N 0 0 328.368 1.309 10 0 EDAERN CS[C@@H](C)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178649682 533916653 /nfs/dbraw/zinc/91/66/53/533916653.db2.gz WTKBFJRSVBVISC-RYUDHWBXSA-N 0 0 339.465 1.275 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@H]1CCCOC1)C(C)C ZINC000170936529 533973908 /nfs/dbraw/zinc/97/39/08/533973908.db2.gz WNCADWQLKXQILM-XJKSGUPXSA-N 0 0 334.416 1.745 10 0 EDAERN C[C@@H]1C[C@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165100939 534016979 /nfs/dbraw/zinc/01/69/79/534016979.db2.gz NSKVKRHEQMTTSM-SFYZADRCSA-N 0 0 334.800 1.855 10 0 EDAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(N)cc1Br ZINC000166804864 534147989 /nfs/dbraw/zinc/14/79/89/534147989.db2.gz RZXLHTYHICQPHL-YUMQZZPRSA-N 0 0 337.239 1.327 10 0 EDAERN O=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177359693 534433189 /nfs/dbraw/zinc/43/31/89/534433189.db2.gz IZUVQADAIVMDCE-SHACYNPGSA-N 0 0 347.444 1.361 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCC(=O)N1CCOCC1)[C@@H](C)C2 ZINC000181504202 534435728 /nfs/dbraw/zinc/43/57/28/534435728.db2.gz CAESEVVNQVBYQW-GUYCJALGSA-N 0 0 331.416 1.386 10 0 EDAERN Cc1nscc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000179687290 534519893 /nfs/dbraw/zinc/51/98/93/534519893.db2.gz PMLGKSQTIWAVBN-MRXNPFEDSA-N 0 0 331.441 1.943 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2O)cc1 ZINC000135763049 534529584 /nfs/dbraw/zinc/52/95/84/534529584.db2.gz KQXUAJNBPVCBBG-STQMWFEESA-N 0 0 328.459 1.293 10 0 EDAERN O=C(COCc1ccccc1)N1CCCN(c2cccnn2)CC1 ZINC000171554510 534621156 /nfs/dbraw/zinc/62/11/56/534621156.db2.gz CWHBESLDAYXAFP-UHFFFAOYSA-N 0 0 326.400 1.732 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc2ncsc2c1 ZINC000179747710 534626208 /nfs/dbraw/zinc/62/62/08/534626208.db2.gz NZAMBMWFOARZIW-LBPRGKRZSA-N 0 0 336.417 1.111 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCS[C@@H](C)C1 ZINC000171568531 534646215 /nfs/dbraw/zinc/64/62/15/534646215.db2.gz IOGOGRQZPHADDN-JTQLQIEISA-N 0 0 334.445 1.948 10 0 EDAERN CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000077169702 534664825 /nfs/dbraw/zinc/66/48/25/534664825.db2.gz SNATVXRBCHYMSZ-SJCJKPOMSA-N 0 0 331.416 1.817 10 0 EDAERN O=C(NCc1cccc(N2CC=CC2)c1)N[C@H]1CCCn2ncnc21 ZINC000176563461 534671936 /nfs/dbraw/zinc/67/19/36/534671936.db2.gz BUIVPGUGSOOSAP-INIZCTEOSA-N 0 0 338.415 1.989 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173802767 534675451 /nfs/dbraw/zinc/67/54/51/534675451.db2.gz PIPOABXWXDUODK-KBXCAEBGSA-N 0 0 342.443 1.524 10 0 EDAERN O=C(NCc1nnc2n1CCCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182401073 534704157 /nfs/dbraw/zinc/70/41/57/534704157.db2.gz WBALWEOCIULAIJ-CYBMUJFWSA-N 0 0 329.408 1.774 10 0 EDAERN O=C(CCC(=O)N1CCOCC1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153268056 534826342 /nfs/dbraw/zinc/82/63/42/534826342.db2.gz MOXWTOUKIGCKRI-INIZCTEOSA-N 0 0 334.391 1.958 10 0 EDAERN CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000184271811 526380520 /nfs/dbraw/zinc/38/05/20/526380520.db2.gz SXDFRFNVCLRXFR-ZDUSSCGKSA-N 0 0 335.408 1.309 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000131223468 526474714 /nfs/dbraw/zinc/47/47/14/526474714.db2.gz QZLCTHOQZNEHRQ-OLZOCXBDSA-N 0 0 335.404 1.798 10 0 EDAERN CC(C)(Cn1nnnc1-c1ccc(N)c(Cl)c1)S(C)(=O)=O ZINC000168701262 527237370 /nfs/dbraw/zinc/23/73/70/527237370.db2.gz QEUIYQVTLKRXEU-UHFFFAOYSA-N 0 0 329.813 1.399 10 0 EDAERN CC(C)C(=O)NCCNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177357139 527502452 /nfs/dbraw/zinc/50/24/52/527502452.db2.gz VDYUELZEKMLUCB-LBPRGKRZSA-N 0 0 337.424 1.812 10 0 EDAERN CC(C)NC(=O)[C@H]1COCCN1c1ncc(Br)cc1N ZINC000159300151 527716974 /nfs/dbraw/zinc/71/69/74/527716974.db2.gz KKUCDTBXYIZRRH-LLVKDONJSA-N 0 0 343.225 1.156 10 0 EDAERN CCCN(CC(=O)N(C)C)C(=O)c1cccc(N)c1Br ZINC000158948504 527883025 /nfs/dbraw/zinc/88/30/25/527883025.db2.gz DXUNPFJDARPLMW-UHFFFAOYSA-N 0 0 342.237 1.972 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000131303759 528015308 /nfs/dbraw/zinc/01/53/08/528015308.db2.gz UUYAMMWIHNNCLY-UHFFFAOYSA-N 0 0 349.479 1.774 10 0 EDAERN CCN(CC)C(=O)CS(=O)(=O)c1ccc(Br)cc1N ZINC000165767162 528030397 /nfs/dbraw/zinc/03/03/97/528030397.db2.gz IDECASAQPGSVOO-UHFFFAOYSA-N 0 0 349.250 1.673 10 0 EDAERN CC(C)COC[C@H](O)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000171623766 528113348 /nfs/dbraw/zinc/11/33/48/528113348.db2.gz VFDJPQNPPUSSBL-OAHLLOKOSA-N 0 0 333.432 1.983 10 0 EDAERN CCOC(=O)c1cc(S(N)(=O)=O)cc(F)c1Br ZINC000155676509 528192466 /nfs/dbraw/zinc/19/24/66/528192466.db2.gz DRGVDXUTLRFTIA-UHFFFAOYSA-N 0 0 326.143 1.412 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)NCC(=O)NCC2CC2)no1 ZINC000183774930 528318088 /nfs/dbraw/zinc/31/80/88/528318088.db2.gz RGRUHAFGKGQXEK-GFCCVEGCSA-N 0 0 335.408 1.566 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173958540 528442162 /nfs/dbraw/zinc/44/21/62/528442162.db2.gz RUDQGPMFRDIMQK-PBHICJAKSA-N 0 0 345.443 1.828 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000184247818 528479924 /nfs/dbraw/zinc/47/99/24/528479924.db2.gz PCSKHFVLQRMLDR-MRXNPFEDSA-N 0 0 344.419 1.410 10 0 EDAERN CCOc1ccc(OC)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000131964057 528559989 /nfs/dbraw/zinc/55/99/89/528559989.db2.gz BLKWWBHJWGPVRF-LLVKDONJSA-N 0 0 331.376 1.822 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000154783897 528614137 /nfs/dbraw/zinc/61/41/37/528614137.db2.gz MMPZCWWQHNKHOT-KRWDZBQOSA-N 0 0 347.459 1.613 10 0 EDAERN CCOC(=O)CNS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165897405 528816759 /nfs/dbraw/zinc/81/67/59/528816759.db2.gz AOYWPCBOBGYXQI-UHFFFAOYSA-N 0 0 327.189 1.417 10 0 EDAERN CC(C)NC(=O)CCS(=O)(=O)c1cc(Br)ccc1N ZINC000167145273 529125590 /nfs/dbraw/zinc/12/55/90/529125590.db2.gz YKGSSBJXRSJOMH-UHFFFAOYSA-N 0 0 349.250 1.720 10 0 EDAERN CC1(C)C[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C(C)(C)O1 ZINC000181860611 529137434 /nfs/dbraw/zinc/13/74/34/529137434.db2.gz NQUKBSZKORCXSC-CQSZACIVSA-N 0 0 336.436 1.848 10 0 EDAERN CC[C@@H]1C(=O)NC(=O)CN1Cc1ccc(C(N)=S)cc1Cl ZINC000163056716 529265139 /nfs/dbraw/zinc/26/51/39/529265139.db2.gz DHRBOQDMURHDGZ-LLVKDONJSA-N 0 0 325.821 1.211 10 0 EDAERN CCOCCC1(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1 ZINC000132779420 535471978 /nfs/dbraw/zinc/47/19/78/535471978.db2.gz UNMBXQJHQVMBIL-CYBMUJFWSA-N 0 0 337.424 1.403 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)C[C@@H]1C ZINC000247155014 535599824 /nfs/dbraw/zinc/59/98/24/535599824.db2.gz QCGWNPQMCQIUGJ-HRCADAONSA-N 0 0 328.453 1.140 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000247120438 535603045 /nfs/dbraw/zinc/60/30/45/535603045.db2.gz JQDRAJWHEXLDIN-MRXNPFEDSA-N 0 0 349.475 1.354 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCC[C@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000263405303 535778447 /nfs/dbraw/zinc/77/84/47/535778447.db2.gz SYVGYOCVZXRGEY-KZTJAYLJSA-N 0 0 335.448 1.825 10 0 EDAERN CCn1cnc(S(=O)(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000333165874 536125696 /nfs/dbraw/zinc/12/56/96/536125696.db2.gz JHSJHRSVLNMJHN-UHFFFAOYSA-N 0 0 337.449 1.280 10 0 EDAERN CC[C@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)CCN1CCOC ZINC000246258684 536126553 /nfs/dbraw/zinc/12/65/53/536126553.db2.gz KPRGXGRBIUWCNE-FUHWJXTLSA-N 0 0 332.444 1.870 10 0 EDAERN CN1C[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)Cc2ccccc21 ZINC000333355634 536485042 /nfs/dbraw/zinc/48/50/42/536485042.db2.gz SLRIEUZDTHIQAS-CZUORRHYSA-N 0 0 336.457 1.379 10 0 EDAERN COc1ccc(-n2nnnc2SCc2nnnn2C(C)C)cc1 ZINC000195516866 536560242 /nfs/dbraw/zinc/56/02/42/536560242.db2.gz CURDRFDANQQSTO-UHFFFAOYSA-N 0 0 332.393 1.531 10 0 EDAERN Cc1nc(N2CCC[C@](O)(c3cn[nH]n3)C2)ccc1Br ZINC000793978443 580863035 /nfs/dbraw/zinc/86/30/35/580863035.db2.gz HQXBJIRSCVWQAS-CYBMUJFWSA-N 0 0 338.209 1.759 10 0 EDAERN O=C(c1ccc(C(F)(F)F)cn1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794071972 580871648 /nfs/dbraw/zinc/87/16/48/580871648.db2.gz BVYDWJKNDDFPFR-CYBMUJFWSA-N 0 0 341.293 1.342 10 0 EDAERN O=C(c1ccc(F)c(Cl)c1F)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794120525 580876156 /nfs/dbraw/zinc/87/61/56/580876156.db2.gz QJODXDKVJJOISL-AWEZNQCLSA-N 0 0 342.733 1.860 10 0 EDAERN Cc1ccccc1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888094876 591025376 /nfs/dbraw/zinc/02/53/76/591025376.db2.gz FHQSJKBBORRVJY-BXWFABGCSA-N 0 0 330.428 1.870 10 0 EDAERN Cc1noc([C@H]2COCCN2C2CN(C(=O)C3=C(C)OCCC3)C2)n1 ZINC000888095366 591026009 /nfs/dbraw/zinc/02/60/09/591026009.db2.gz YXRQFIDIGZHUTD-OAHLLOKOSA-N 0 0 348.403 1.047 10 0 EDAERN Cc1[nH]nc(I)c1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000895629025 591235392 /nfs/dbraw/zinc/23/53/92/591235392.db2.gz FQFRZEZQROTUQK-XPUUQOCRSA-N 0 0 349.172 1.620 10 0 EDAERN C[C@H](O)c1cccc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)n1 ZINC000894306297 591273012 /nfs/dbraw/zinc/27/30/12/591273012.db2.gz XMAJQDAYUWDTMM-KPZWWZAWSA-N 0 0 344.415 1.969 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000895048687 591543842 /nfs/dbraw/zinc/54/38/42/591543842.db2.gz HKUKADJPOBNDMN-RQJABVFESA-N 0 0 325.384 1.805 10 0 EDAERN CC(C)(C)N1C[C@H](C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899075087 591673319 /nfs/dbraw/zinc/67/33/19/591673319.db2.gz UQMYONRPISBPFJ-ZIAGYGMSSA-N 0 0 345.447 1.576 10 0 EDAERN Cc1nnc2n1C[C@@H](C(=O)NCCc1c(C)[nH]c3ccccc31)NC2 ZINC000818107620 593669110 /nfs/dbraw/zinc/66/91/10/593669110.db2.gz CWLANNJIYKYWAM-INIZCTEOSA-N 0 0 338.415 1.207 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3c[nH]nc32)cn1 ZINC000818601354 593707041 /nfs/dbraw/zinc/70/70/41/593707041.db2.gz WYFMCSFLDXAVRE-LSDHHAIUSA-N 0 0 341.371 1.356 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCc1nccn1CC(F)(F)F ZINC000103837475 593709640 /nfs/dbraw/zinc/70/96/40/593709640.db2.gz IWLUCWSIEQLFRM-SECBINFHSA-N 0 0 345.277 1.900 10 0 EDAERN C[C@@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)c1nc2ccccc2[nH]1 ZINC000102127449 594840962 /nfs/dbraw/zinc/84/09/62/594840962.db2.gz QOFRTMMUXDOIQR-SNVBAGLBSA-N 0 0 342.359 1.161 10 0 EDAERN COCCN1CCN(CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000105832224 595468671 /nfs/dbraw/zinc/46/86/71/595468671.db2.gz WHUALIJQEGUTSI-MRXNPFEDSA-N 0 0 325.497 1.868 10 0 EDAERN COC[C@]1(C)NC(=O)N(CN2CCCC[C@@H]2c2nccs2)C1=O ZINC000113243723 595675520 /nfs/dbraw/zinc/67/55/20/595675520.db2.gz MZGMTPOGANKMRH-ABAIWWIYSA-N 0 0 338.433 1.585 10 0 EDAERN Cn1cc([C@H]2CCN(Cn3nnn(-c4ccccc4)c3=S)C2)cn1 ZINC000116258930 595863055 /nfs/dbraw/zinc/86/30/55/595863055.db2.gz VRWYHLFHDKFTAO-ZDUSSCGKSA-N 0 0 341.444 1.979 10 0 EDAERN CN(CCS(C)(=O)=O)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000112478183 596149933 /nfs/dbraw/zinc/14/99/33/596149933.db2.gz DMDSPDFFMLHJOT-LBPRGKRZSA-N 0 0 325.352 1.715 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1c(C)noc1C)CC2 ZINC000114977815 596189064 /nfs/dbraw/zinc/18/90/64/596189064.db2.gz HFDIEUCEJAPLBG-GFCCVEGCSA-N 0 0 332.408 1.602 10 0 EDAERN C[C@@H]1CN(CN2c3cccc4cccc(c34)C2=O)C[C@H](C(N)=O)O1 ZINC000120257197 596386396 /nfs/dbraw/zinc/38/63/96/596386396.db2.gz YNNCYEAWPCSZRG-IAQYHMDHSA-N 0 0 325.368 1.332 10 0 EDAERN CCOc1ccnc(N2CCN(CN3C[C@H](CC)CC3=O)CC2)n1 ZINC000119342407 596520432 /nfs/dbraw/zinc/52/04/32/596520432.db2.gz GUBGNQDVECHCIU-CQSZACIVSA-N 0 0 333.436 1.213 10 0 EDAERN CCN1C(=O)CN(CN2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000122188418 596865325 /nfs/dbraw/zinc/86/53/25/596865325.db2.gz FEIKBCSRKXSJDN-ZDUSSCGKSA-N 0 0 346.435 1.383 10 0 EDAERN C[C@@]1(CNC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CCCO1 ZINC000133078363 597929848 /nfs/dbraw/zinc/92/98/48/597929848.db2.gz GIQVBKPHTWXIBB-MJGOQNOKSA-N 0 0 347.459 1.616 10 0 EDAERN C[C@@H](O)c1ccn(CC(=O)NCc2ccc(N3CCCC3=O)cc2)n1 ZINC000128849257 598095883 /nfs/dbraw/zinc/09/58/83/598095883.db2.gz YWJZPTSCGFJNTN-CYBMUJFWSA-N 0 0 342.399 1.380 10 0 EDAERN CCCc1ccc(NC(=O)C(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000193666043 695950424 /nfs/dbraw/zinc/95/04/24/695950424.db2.gz VIAKKPQIFRQOJM-INIZCTEOSA-N 0 0 331.416 1.705 10 0 EDAERN O=C(NNc1ccccn1)[C@@H]1CCC[C@@H]1C(=O)NNc1ccccn1 ZINC000181911035 700148847 /nfs/dbraw/zinc/14/88/47/700148847.db2.gz ZLOOXEQELQUUAW-BETUJISGSA-N 0 0 340.387 1.479 10 0 EDAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCSC2(CCOCC2)C1 ZINC000184830873 698404795 /nfs/dbraw/zinc/40/47/95/698404795.db2.gz WSQAAVSZYRACFB-KBPBESRZSA-N 0 0 336.457 1.493 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1ccnn1 ZINC000182729318 701004676 /nfs/dbraw/zinc/00/46/76/701004676.db2.gz QVRLFNOCPJGMNC-QWHCGFSZSA-N 0 0 339.440 1.724 10 0 EDAERN COc1ccc(Br)cc1NC(=O)Cn1ccc(N)n1 ZINC000050468426 214058212 /nfs/dbraw/zinc/05/82/12/214058212.db2.gz FUYGYVZBHMDLEQ-UHFFFAOYSA-N 0 0 325.166 1.875 10 0 EDAERN CCNC(=O)[C@H](C)NC(=O)c1cc(Br)cnc1NCC ZINC000050791027 214071207 /nfs/dbraw/zinc/07/12/07/214071207.db2.gz OUYZEDRJDIGYSQ-QMMMGPOBSA-N 0 0 343.225 1.530 10 0 EDAERN COc1cc(Br)c(OC)c(C(=O)N(C)C[C@@H](C)O)c1 ZINC000051818548 214104742 /nfs/dbraw/zinc/10/47/42/214104742.db2.gz VRCPQQCFJHQUMV-MRVPVSSYSA-N 0 0 332.194 1.919 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(F)c(C(N)=S)c2)C1 ZINC000051637368 214098049 /nfs/dbraw/zinc/09/80/49/214098049.db2.gz SXZZYRDWICSPTM-SECBINFHSA-N 0 0 331.438 1.849 10 0 EDAERN NC(=S)c1ccc(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000052010426 214113245 /nfs/dbraw/zinc/11/32/45/214113245.db2.gz GAMGBVIWRRDRLL-OLZOCXBDSA-N 0 0 328.459 1.044 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000091260005 290612268 /nfs/dbraw/zinc/61/22/68/290612268.db2.gz FUOUNCKIWMUBBU-UONOGXRCSA-N 0 0 341.358 1.572 10 0 EDAERN C[C@@H](C[NH3+])C(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000062824535 214732211 /nfs/dbraw/zinc/73/22/11/214732211.db2.gz GQXGNCVDGTWAHA-LURJTMIESA-N 0 0 348.140 1.523 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C(N)=O)cn3)C2)n1 ZINC000173586674 230979116 /nfs/dbraw/zinc/97/91/16/230979116.db2.gz MLAFAALPKHIPEI-GFCCVEGCSA-N 0 0 330.413 1.965 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3noc(-c4ccsc4)n3)CCO2)[nH]1 ZINC000173760264 231025793 /nfs/dbraw/zinc/02/57/93/231025793.db2.gz KHOWDNKEFWNLFV-LLVKDONJSA-N 0 0 332.389 1.798 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)CC3CCCCC3)CCO2)[nH]1 ZINC000173735008 231018063 /nfs/dbraw/zinc/01/80/63/231018063.db2.gz BZDKAKMVLIYPIN-ZDUSSCGKSA-N 0 0 328.438 1.397 10 0 EDAERN O=C(NCc1cc(F)ccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173826938 231045570 /nfs/dbraw/zinc/04/55/70/231045570.db2.gz ZUVAZUYCSMIJQV-AWEZNQCLSA-N 0 0 325.359 1.581 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(F)cc3nccnc32)C[C@H]1N1CCOCC1 ZINC000173831217 231046767 /nfs/dbraw/zinc/04/67/67/231046767.db2.gz FUSMPRLTSNWWES-BLLLJJGKSA-N 0 0 344.390 1.562 10 0 EDAERN Cc1n[nH]c(C)c1N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000056937267 214396396 /nfs/dbraw/zinc/39/63/96/214396396.db2.gz DAJXUJRWLRNJOE-UHFFFAOYSA-N 0 0 326.447 1.599 10 0 EDAERN O=CNc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000174530136 231232628 /nfs/dbraw/zinc/23/26/28/231232628.db2.gz AZQNUNNEAGGZTE-OAHLLOKOSA-N 0 0 344.392 1.903 10 0 EDAERN COC(OC)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000057354345 214421636 /nfs/dbraw/zinc/42/16/36/214421636.db2.gz PALQJRAZSZKTGT-UHFFFAOYSA-N 0 0 326.397 1.758 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H](C)c3cccnc3)CC2)no1 ZINC000174774820 231306876 /nfs/dbraw/zinc/30/68/76/231306876.db2.gz UQFDGZUDVYTEQN-ZDUSSCGKSA-N 0 0 329.404 1.611 10 0 EDAERN CCc1cccc2c(CC(=O)NC[C@H](O)CN3CCOCC3)c[nH]c21 ZINC000132854213 529550297 /nfs/dbraw/zinc/55/02/97/529550297.db2.gz VVPMVJLQLFRBFG-INIZCTEOSA-N 0 0 345.443 1.082 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000174010548 529667693 /nfs/dbraw/zinc/66/76/93/529667693.db2.gz ASZOTFMVAZYJRG-MRXNPFEDSA-N 0 0 331.416 1.121 10 0 EDAERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCC(=O)N2S(C)(=O)=O)cc1 ZINC000049676778 214026618 /nfs/dbraw/zinc/02/66/18/214026618.db2.gz YXJUDEMFSRRWEJ-CYBMUJFWSA-N 0 0 338.429 1.873 10 0 EDAERN OC[C@@H]1O[C@@H](n2cnc3c2ncnc3Oc2ccccc2)C[C@@H]1O ZINC000098044116 219073911 /nfs/dbraw/zinc/07/39/11/219073911.db2.gz VEPXNPNNUCUROO-RWMBFGLXSA-N 0 0 328.328 1.259 10 0 EDAERN CC[C@H](O)CCNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177837630 529692534 /nfs/dbraw/zinc/69/25/34/529692534.db2.gz HNDLFICMGQRIDN-YPMHNXCESA-N 0 0 328.434 1.611 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCc3ccsc3)CCO2)[nH]1 ZINC000177936105 529699259 /nfs/dbraw/zinc/69/92/59/529699259.db2.gz YEGBYDOPYIXFEA-LBPRGKRZSA-N 0 0 335.433 1.754 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC=C1C(=O)NC(=O)c2ccccc21 ZINC000132679850 529749580 /nfs/dbraw/zinc/74/95/80/529749580.db2.gz OMODDPPTRBBGGV-UELRPHRMSA-N 0 0 337.383 1.576 10 0 EDAERN CCc1nn(C)c(CC(=O)[C@@H](C)S(C)(=O)=O)c1Br ZINC000166539410 529764561 /nfs/dbraw/zinc/76/45/61/529764561.db2.gz WYAISZCCKYQQHL-SSDOTTSWSA-N 0 0 337.239 1.290 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccn(-c3ccccc3Cl)n2)C1 ZINC000129322695 529783515 /nfs/dbraw/zinc/78/35/15/529783515.db2.gz RARATPKCENCDGG-LBPRGKRZSA-N 0 0 349.822 1.978 10 0 EDAERN CN(C)c1cccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)n1 ZINC000164152359 529790351 /nfs/dbraw/zinc/79/03/51/529790351.db2.gz SKEFBXSZSXKMGZ-OAHLLOKOSA-N 0 0 328.420 1.718 10 0 EDAERN Cc1ccc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)c1 ZINC000177265317 231844759 /nfs/dbraw/zinc/84/47/59/231844759.db2.gz FWKWUXJMFUEJDA-SJLPKXTDSA-N 0 0 331.460 1.894 10 0 EDAERN C[C@H](C[C@H]1C[C@@H](C)OC1=O)C(=O)NC(=S)Nc1nncs1 ZINC000004351292 210177529 /nfs/dbraw/zinc/17/75/29/210177529.db2.gz PNPOILZDLHVBFL-PRJMDXOYSA-N 0 0 328.419 1.329 10 0 EDAERN COCCNC(=O)[C@@H]1COc2ccc(NC(=O)C(C)(C)C)cc2C1 ZINC000065082423 214826540 /nfs/dbraw/zinc/82/65/40/214826540.db2.gz HGOXBOPQGNGBDS-ZDUSSCGKSA-N 0 0 334.416 1.985 10 0 EDAERN CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000175945427 529940290 /nfs/dbraw/zinc/94/02/90/529940290.db2.gz GHTNADGBWDDKMR-LLVKDONJSA-N 0 0 348.794 1.948 10 0 EDAERN O=C(NC[C@H]1CCCO1)c1ccc2c(c1)NC(=O)[C@H]1CCC(=O)N21 ZINC000065202033 214842564 /nfs/dbraw/zinc/84/25/64/214842564.db2.gz TWNFBTMWOMZUDV-BXUZGUMPSA-N 0 0 329.356 1.043 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)[C@H]1c1ccccc1 ZINC000176019755 530041830 /nfs/dbraw/zinc/04/18/30/530041830.db2.gz IVPDATKVAJHJKV-JXSMBQFASA-N 0 0 328.412 1.649 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC(=O)NCC2CC2)[C@@H]1c1ccccc1 ZINC000180916915 530041839 /nfs/dbraw/zinc/04/18/39/530041839.db2.gz RNVXYBAIESBXGC-YJBOKZPZSA-N 0 0 343.427 1.239 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000046637625 213805152 /nfs/dbraw/zinc/80/51/52/213805152.db2.gz HIWXGZYYDABZAQ-GFCCVEGCSA-N 0 0 343.383 1.464 10 0 EDAERN CC(C)Oc1cccc(C(=O)N[C@H](CO)[C@H](O)c2ccc(N)cc2)c1 ZINC000066142797 215016938 /nfs/dbraw/zinc/01/69/38/215016938.db2.gz RIEFWAIVAXRCAH-QZTJIDSGSA-N 0 0 344.411 1.880 10 0 EDAERN COc1ccc(OC)c(NCC(=O)Nc2ccccc2C(N)=O)c1 ZINC000066211597 215022428 /nfs/dbraw/zinc/02/24/28/215022428.db2.gz HYGZZSHYOVUWAL-UHFFFAOYSA-N 0 0 329.356 1.853 10 0 EDAERN CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)cn1 ZINC000066383232 215038358 /nfs/dbraw/zinc/03/83/58/215038358.db2.gz LFJNOBSJRUSRJO-HUUCEWRRSA-N 0 0 330.363 1.853 10 0 EDAERN COC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000066590452 215057617 /nfs/dbraw/zinc/05/76/17/215057617.db2.gz VMIKRQIHSYPOHZ-OAHLLOKOSA-N 0 0 335.379 1.705 10 0 EDAERN Cc1csc(C(=O)N2CCOC[C@@H]2C(N)=O)c1Br ZINC000191513785 302417318 /nfs/dbraw/zinc/41/73/18/302417318.db2.gz PPXDYUZCSOOFNU-SSDOTTSWSA-N 0 0 333.207 1.145 10 0 EDAERN CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC000067113326 215114660 /nfs/dbraw/zinc/11/46/60/215114660.db2.gz LVNFZQHIVVORRG-INIZCTEOSA-N 0 0 346.427 1.835 10 0 EDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)CC[C@H]3CCCO3)C2)c1 ZINC000245995510 539596999 /nfs/dbraw/zinc/59/69/99/539596999.db2.gz HMNONMDURRXHFP-LSDHHAIUSA-N 0 0 327.450 1.727 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000043427736 213581656 /nfs/dbraw/zinc/58/16/56/213581656.db2.gz DQPGCNPKXCDHAJ-STQMWFEESA-N 0 0 326.443 1.263 10 0 EDAERN COCCN([C@H](C)COC)S(=O)(=O)c1cc(Cl)ccc1N ZINC000042601913 213519313 /nfs/dbraw/zinc/51/93/13/213519313.db2.gz CVEZEGXHEVMGAC-SNVBAGLBSA-N 0 0 336.841 1.594 10 0 EDAERN O=S(=O)(C[C@H]1CCCCO1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246341036 539620783 /nfs/dbraw/zinc/62/07/83/539620783.db2.gz ICSDHQFMXYBBSN-HUUCEWRRSA-N 0 0 326.418 1.434 10 0 EDAERN c1nnc2ccc(N3CCN(Cc4ccc5c[nH]nc5c4)CC3)nn12 ZINC000179499843 233104623 /nfs/dbraw/zinc/10/46/23/233104623.db2.gz LXVWPIOHOFATEF-UHFFFAOYSA-N 0 0 334.387 1.323 10 0 EDAERN O=c1[nH]cc(CN2CCc3onc(-c4cccc(F)c4)c3C2)c(=O)[nH]1 ZINC000067867835 215234219 /nfs/dbraw/zinc/23/42/19/215234219.db2.gz BEIKMRFXKFPVJP-UHFFFAOYSA-N 0 0 342.330 1.416 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2ncc(Br)s2)C[C@@H]1C ZINC000248867041 539694117 /nfs/dbraw/zinc/69/41/17/539694117.db2.gz CFVUSSYCJWZGPM-IUCAKERBSA-N 0 0 348.266 1.433 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)n1 ZINC000249203392 539697760 /nfs/dbraw/zinc/69/77/60/539697760.db2.gz APQCESMVHHHFIP-CHWSQXEVSA-N 0 0 346.474 1.724 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](n2nnc(C[NH3+])c2C(=O)[O-])C1 ZINC000675054418 539710596 /nfs/dbraw/zinc/71/05/96/539710596.db2.gz UTYXLYKERYHHSX-VIFPVBQESA-N 0 0 325.369 1.007 10 0 EDAERN C[C@@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CCCCC1 ZINC000041312078 213439535 /nfs/dbraw/zinc/43/95/35/213439535.db2.gz KYXGTQKFMDMPIA-HNNXBMFYSA-N 0 0 338.473 1.797 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)CCN1C ZINC000104135720 219350818 /nfs/dbraw/zinc/35/08/18/219350818.db2.gz ZIDNCYPLNJBNQO-SNVBAGLBSA-N 0 0 333.251 1.774 10 0 EDAERN COCC[S@](=O)[C@@H](C)C(=O)Nc1nc2ccc(N)cc2s1 ZINC000040970521 213404287 /nfs/dbraw/zinc/40/42/87/213404287.db2.gz IXDGMLHEPILEDY-HXNGOWOSSA-N 0 0 327.431 1.601 10 0 EDAERN CCN1CCC[C@H](NS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000040691976 213371017 /nfs/dbraw/zinc/37/10/17/213371017.db2.gz FBOGMSXQJHDDHO-VIFPVBQESA-N 0 0 348.881 1.812 10 0 EDAERN COC1(CNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CCC1 ZINC000181417035 234178740 /nfs/dbraw/zinc/17/87/40/234178740.db2.gz KNNHAUMWENUNBO-ZDUSSCGKSA-N 0 0 338.429 1.773 10 0 EDAERN COC[C@H](NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)c1ccco1 ZINC000181624052 234257787 /nfs/dbraw/zinc/25/77/87/234257787.db2.gz DRDGKSJRGAQXLU-OLZOCXBDSA-N 0 0 347.419 1.996 10 0 EDAERN CC(C)(NS(=O)(=O)c1ccc(Br)cc1)C(N)=S ZINC000040350112 213292657 /nfs/dbraw/zinc/29/26/57/213292657.db2.gz XODOGWIWLMGLJP-UHFFFAOYSA-N 0 0 337.264 1.792 10 0 EDAERN O=NC1C(=O)N(C(=S)N[C@@H]2C=CS(=O)(=O)C2)c2ccccc21 ZINC000040168669 213278285 /nfs/dbraw/zinc/27/82/85/213278285.db2.gz FCRFSPFPBXHFFZ-MRVPVSSYSA-N 0 0 337.382 1.778 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000246826780 283023156 /nfs/dbraw/zinc/02/31/56/283023156.db2.gz ZEJPDKUURYQLJE-RBSFLKMASA-N 0 0 337.420 1.208 10 0 EDAERN CC(=O)c1nc2ccccc2n1C(=O)CCN1CCN(C=O)CC1 ZINC000039759288 213241791 /nfs/dbraw/zinc/24/17/91/213241791.db2.gz DUUOEJPJXHRLDT-UHFFFAOYSA-N 0 0 328.372 1.043 10 0 EDAERN Cc1nnc(NC(=O)NCNS(=O)(=O)c2ccc(C)cc2)s1 ZINC000038712454 213222140 /nfs/dbraw/zinc/22/21/40/213222140.db2.gz JWOHRRCUYZRGCZ-UHFFFAOYSA-N 0 0 341.418 1.212 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000176349271 540100336 /nfs/dbraw/zinc/10/03/36/540100336.db2.gz VUNWXSDLRXLWAW-CQSZACIVSA-N 0 0 327.388 1.674 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184566697 540144337 /nfs/dbraw/zinc/14/43/37/540144337.db2.gz NEIVPPBFCAVVSW-NSHDSACASA-N 0 0 341.437 1.215 10 0 EDAERN COc1ccc([C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C2CC2)cc1 ZINC000188560846 540159195 /nfs/dbraw/zinc/15/91/95/540159195.db2.gz ALNBUXCNDOUJOV-OIISXLGYSA-N 0 0 332.400 1.244 10 0 EDAERN CCOc1cnc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)cn1 ZINC000189640401 540165653 /nfs/dbraw/zinc/16/56/53/540165653.db2.gz SJHKGEOPCBTDIT-AWEZNQCLSA-N 0 0 344.419 1.636 10 0 EDAERN Cc1cnc(NC[C@@H](O)CN2CCOCC2)c(Br)c1 ZINC000190950999 540172590 /nfs/dbraw/zinc/17/25/90/540172590.db2.gz SHHUNMQCHSLDCO-LLVKDONJSA-N 0 0 330.226 1.258 10 0 EDAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](n2cncn2)C1 ZINC000105854625 219562069 /nfs/dbraw/zinc/56/20/69/219562069.db2.gz HAYCWPLHFQZIJF-GOEBONIOSA-N 0 0 325.372 1.635 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCCOc2ccc(C)cc2C)C1 ZINC000185221696 235618240 /nfs/dbraw/zinc/61/82/40/235618240.db2.gz YCVVXZWBGDTADJ-UHFFFAOYSA-N 0 0 334.416 1.436 10 0 EDAERN Cc1ccccc1CN1CCN(C(=O)CN2[C@@H](C)COC[C@@H]2C)CC1 ZINC000077364965 138252310 /nfs/dbraw/zinc/25/23/10/138252310.db2.gz WPXUDMRKOQXRGP-ROUUACIJSA-N 0 0 345.487 1.748 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000082976580 138268200 /nfs/dbraw/zinc/26/82/00/138268200.db2.gz CDSXXVLFUUPHNF-FZMZJTMJSA-N 0 0 342.403 1.748 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000185611283 235705357 /nfs/dbraw/zinc/70/53/57/235705357.db2.gz KOINXKRDPHESRW-PIGZYNQJSA-N 0 0 349.406 1.606 10 0 EDAERN O=C(c1n[nH]c2c1CCCC2)N1CCCN(c2cccnn2)CC1 ZINC000105810883 138301849 /nfs/dbraw/zinc/30/18/49/138301849.db2.gz JOYLEFWTMJUBIZ-UHFFFAOYSA-N 0 0 326.404 1.431 10 0 EDAERN O=C(CCOC[C@@H]1CCCO1)N1CCCN(c2cccnn2)CC1 ZINC000105811031 138301873 /nfs/dbraw/zinc/30/18/73/138301873.db2.gz QFKSXWSRJLKXQI-HNNXBMFYSA-N 0 0 334.420 1.101 10 0 EDAERN CCN(C(=O)CN1CCOC[C@H]1C(N)=O)c1cccc2ccccc21 ZINC000092230185 138287138 /nfs/dbraw/zinc/28/71/38/138287138.db2.gz ORVVTIPTGKROGA-KRWDZBQOSA-N 0 0 341.411 1.379 10 0 EDAERN O=C(Nc1ccc2c(c1)COC2)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000092327585 138288151 /nfs/dbraw/zinc/28/81/51/138288151.db2.gz AGPVLTWKHGAVJY-KXBFYZLASA-N 0 0 344.411 1.809 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)CN2C(=O)c3ccccc3C2=O)cn1 ZINC000105894245 138302332 /nfs/dbraw/zinc/30/23/32/138302332.db2.gz UEERLKDQSDJXTL-OAHLLOKOSA-N 0 0 338.367 1.380 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCCC(=O)NC(C)C)C2)n1 ZINC000116776666 138312093 /nfs/dbraw/zinc/31/20/93/138312093.db2.gz KYZUBFIZHVRWQF-INIZCTEOSA-N 0 0 349.479 1.828 10 0 EDAERN NC(=O)[C@H](NC[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000037942971 213174776 /nfs/dbraw/zinc/17/47/76/213174776.db2.gz OOZNJDGGKYGGSM-JOYOIKCWSA-N 0 0 331.185 1.883 10 0 EDAERN C[C@H](C(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1)n1cncn1 ZINC000130236689 138340392 /nfs/dbraw/zinc/34/03/92/138340392.db2.gz DRVATXNVRRSXRZ-LALPHHSUSA-N 0 0 343.387 1.984 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000037859935 213171564 /nfs/dbraw/zinc/17/15/64/213171564.db2.gz RARMOKCJIFVZFX-UHFFFAOYSA-N 0 0 334.369 1.844 10 0 EDAERN CCc1cccc(NC(=O)CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000132409680 138376246 /nfs/dbraw/zinc/37/62/46/138376246.db2.gz PUMLDSJPBKNZHC-GFCCVEGCSA-N 0 0 343.383 1.715 10 0 EDAERN NNc1nc2sccn2c1S(=O)(=O)NCc1cccs1 ZINC000037556191 213156222 /nfs/dbraw/zinc/15/62/22/213156222.db2.gz GKGNZLCONSVVDL-UHFFFAOYSA-N 0 0 329.432 1.221 10 0 EDAERN O=C(Nc1cnn(-c2ncccn2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000132889384 138384571 /nfs/dbraw/zinc/38/45/71/138384571.db2.gz PPPXREPYEARHNJ-CXAGYDPISA-N 0 0 342.403 1.821 10 0 EDAERN COc1ccccc1Nc1nc(C(=O)NCC(=O)NC2CC2)cs1 ZINC000037435735 213146660 /nfs/dbraw/zinc/14/66/60/213146660.db2.gz CDDRNHPTZKWUSW-UHFFFAOYSA-N 0 0 346.412 1.904 10 0 EDAERN C[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)c1nnc2n1CCCC2 ZINC000135257716 138421387 /nfs/dbraw/zinc/42/13/87/138421387.db2.gz QMUFRWCYNUIAQH-LLVKDONJSA-N 0 0 338.375 1.081 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1)[C@@H]1CCCO1 ZINC000187097557 236116637 /nfs/dbraw/zinc/11/66/37/236116637.db2.gz YEHUZQPZXWCXML-RISCZKNCSA-N 0 0 346.362 1.634 10 0 EDAERN CNC(=O)CCN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171803440 283301458 /nfs/dbraw/zinc/30/14/58/283301458.db2.gz LEIVAYYHPRGLMJ-PBHICJAKSA-N 0 0 331.416 1.191 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H](CCCO)c2ccccc2)C1)C1CC1 ZINC000187242340 236155137 /nfs/dbraw/zinc/15/51/37/236155137.db2.gz QQUBMZKLPLZYMM-INIZCTEOSA-N 0 0 331.416 1.420 10 0 EDAERN CN1CCN(C(=O)[C@@H](NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000036109840 213070389 /nfs/dbraw/zinc/07/03/89/213070389.db2.gz CYVDBWFQUAFHAD-INIZCTEOSA-N 0 0 327.384 1.525 10 0 EDAERN CCCCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC)cc1 ZINC000036101239 213067650 /nfs/dbraw/zinc/06/76/50/213067650.db2.gz YAOBDWPDUMUGHB-UHFFFAOYSA-N 0 0 348.490 1.247 10 0 EDAERN CCC[NH2+][C@@](C)(Cn1cc(I)cn1)C(=O)[O-] ZINC000070678498 215705266 /nfs/dbraw/zinc/70/52/66/215705266.db2.gz XDCWBWQOCFIMQK-JTQLQIEISA-N 0 0 337.161 1.331 10 0 EDAERN O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155782706 138545779 /nfs/dbraw/zinc/54/57/79/138545779.db2.gz GYFLGZQFQOVHOH-RDJZCZTQSA-N 0 0 341.411 1.578 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)C1)C1CC1 ZINC000187643870 236267905 /nfs/dbraw/zinc/26/79/05/236267905.db2.gz IVVVWANLAQHJQK-GVDBMIGSSA-N 0 0 325.412 1.635 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2c(F)cc(F)cc2F)C1)C1CC1 ZINC000187921561 236342566 /nfs/dbraw/zinc/34/25/66/236342566.db2.gz UTHJULOFPDBADR-UHFFFAOYSA-N 0 0 334.319 1.003 10 0 EDAERN CCn1c2nnc(CCC(=O)NC(C)C)n2c2ccsc2c1=O ZINC000035528448 213036340 /nfs/dbraw/zinc/03/63/40/213036340.db2.gz OMLINNSXWAZMCZ-UHFFFAOYSA-N 0 0 333.417 1.583 10 0 EDAERN Cc1nc(CNS(=O)(=O)c2ccc(F)c(C(N)=S)c2)cs1 ZINC000071247402 215745740 /nfs/dbraw/zinc/74/57/40/215745740.db2.gz PGYXKKNTKYRZBQ-UHFFFAOYSA-N 0 0 345.446 1.703 10 0 EDAERN C[C@@H](NC(=O)C[NH2+][C@@H](C)C(=O)[O-])c1ccc(Br)cc1 ZINC000035387718 213024416 /nfs/dbraw/zinc/02/44/16/213024416.db2.gz OUHAUPLPSKCGQI-BDAKNGLRSA-N 0 0 329.194 1.689 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000166892685 138652663 /nfs/dbraw/zinc/65/26/63/138652663.db2.gz FFZHQSMWWGMAHG-OAHLLOKOSA-N 0 0 346.431 1.207 10 0 EDAERN CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171926488 138662112 /nfs/dbraw/zinc/66/21/12/138662112.db2.gz BKXLCWPDDLSDJH-LRDDRELGSA-N 0 0 342.461 1.857 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(Cc1ccccn1)C1CC1)CC2 ZINC000172038635 138662621 /nfs/dbraw/zinc/66/26/21/138662621.db2.gz KSWDUVGPWMRYLF-AWEZNQCLSA-N 0 0 340.431 1.925 10 0 EDAERN CCOC(=O)CCN(CCOC)C(=O)COc1ccccc1OC ZINC000071626581 215790352 /nfs/dbraw/zinc/79/03/52/215790352.db2.gz XZRGCQYRHWIKFA-UHFFFAOYSA-N 0 0 339.388 1.502 10 0 EDAERN CCc1nc(C2(NC(=O)CCCS(C)(=O)=O)CCCC2)no1 ZINC000175136302 138692073 /nfs/dbraw/zinc/69/20/73/138692073.db2.gz DGGWNRLGHWDRBT-UHFFFAOYSA-N 0 0 329.422 1.342 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(Cl)ccc1OCCOC)C(C)C ZINC000178857573 138746679 /nfs/dbraw/zinc/74/66/79/138746679.db2.gz WQEOKQNMAUVMPA-CQSZACIVSA-N 0 0 342.823 1.866 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(CC(C)C)[nH]c(=O)c1)CC2 ZINC000180415031 138759185 /nfs/dbraw/zinc/75/91/85/138759185.db2.gz YHVAPAYARZRNOS-CYBMUJFWSA-N 0 0 343.431 1.884 10 0 EDAERN Cc1ccccc1CN(C)C(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176575405 237342825 /nfs/dbraw/zinc/34/28/25/237342825.db2.gz YSMMGSHYFTVRLN-DEOSSOPVSA-N 0 0 349.460 1.470 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(-n2cccc2)cc1 ZINC000183963336 138789877 /nfs/dbraw/zinc/78/98/77/138789877.db2.gz PRCNSSZJLKZJQR-OAHLLOKOSA-N 0 0 343.412 1.882 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000183978409 138789995 /nfs/dbraw/zinc/78/99/95/138789995.db2.gz NVHTYSACPNNRAI-HNNXBMFYSA-N 0 0 325.434 1.511 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccccc1 ZINC000129440157 223056770 /nfs/dbraw/zinc/05/67/70/223056770.db2.gz HOXWZRCCHMKDPY-CYBMUJFWSA-N 0 0 336.417 1.379 10 0 EDAERN C[C@@H](c1ccsc1)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000185458096 138805327 /nfs/dbraw/zinc/80/53/27/138805327.db2.gz OENRROOVJMIRTD-HOCLYGCPSA-N 0 0 337.489 1.410 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)[C@H](CO)CC(C)C ZINC000185667482 138807499 /nfs/dbraw/zinc/80/74/99/138807499.db2.gz XOCXQFIXLOATLA-QWHCGFSZSA-N 0 0 339.440 1.308 10 0 EDAERN O=C(NCCc1cc(Cl)ccc1Br)[C@H]1CNC(=O)C1 ZINC000130135502 223125845 /nfs/dbraw/zinc/12/58/45/223125845.db2.gz ZOFLTYPCPZTPGB-SECBINFHSA-N 0 0 345.624 1.897 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2cnn(C)c2)C12CCOCC2 ZINC000185959497 138811371 /nfs/dbraw/zinc/81/13/71/138811371.db2.gz CVQRPMLXFVKUFD-LSDHHAIUSA-N 0 0 336.436 1.536 10 0 EDAERN O=C(NC1CN(S(=O)(=O)Cc2ccc(F)cc2)C1)C1CCC1 ZINC000186185510 138813674 /nfs/dbraw/zinc/81/36/74/138813674.db2.gz FSWPOCUXQBXUFO-UHFFFAOYSA-N 0 0 326.393 1.256 10 0 EDAERN O=C(CSCC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188532243 138844169 /nfs/dbraw/zinc/84/41/69/138844169.db2.gz TZOWQOOMSAMBJY-UHFFFAOYSA-N 0 0 346.452 1.730 10 0 EDAERN C[C@H]1CCCC[C@H]1OCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188800935 138852216 /nfs/dbraw/zinc/85/22/16/138852216.db2.gz ZAUUBLVXMCMYJO-XJKSGUPXSA-N 0 0 337.464 1.892 10 0 EDAERN COc1ccc(CC[C@@H](C)NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000188786056 138851763 /nfs/dbraw/zinc/85/17/63/138851763.db2.gz DZMAFKVVCABTAE-SRCQZFHVSA-N 0 0 334.416 1.114 10 0 EDAERN Cc1nc(-c2ncccn2)sc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188872989 138854413 /nfs/dbraw/zinc/85/44/13/138854413.db2.gz GKUNCWKBVHTSDM-JTQLQIEISA-N 0 0 331.401 1.259 10 0 EDAERN CC(C)C[C@@H](CCO)CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188880682 138854599 /nfs/dbraw/zinc/85/45/99/138854599.db2.gz QFQPGFONONYZOY-CYBMUJFWSA-N 0 0 325.453 1.341 10 0 EDAERN NC(=O)C1CCN(C(=S)NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000226346347 242100032 /nfs/dbraw/zinc/10/00/32/242100032.db2.gz LSIINSUMOXPIFH-UHFFFAOYSA-N 0 0 339.848 1.481 10 0 EDAERN O=C(CN1CCN(Cc2ccon2)CC1)N1CCc2ccccc2C1 ZINC000075857885 216660606 /nfs/dbraw/zinc/66/06/06/216660606.db2.gz VQJRZCAQNAPWCF-UHFFFAOYSA-N 0 0 340.427 1.377 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3scnc3CC)CC2)n1 ZINC000133160129 223393023 /nfs/dbraw/zinc/39/30/23/223393023.db2.gz ULGLVQIVCLKOMB-UHFFFAOYSA-N 0 0 347.444 1.857 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000190679801 138895219 /nfs/dbraw/zinc/89/52/19/138895219.db2.gz IFGVNPOMDIIPEH-MRVPVSSYSA-N 0 0 327.743 1.155 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nnnn1CC(F)(F)F ZINC000190868650 138898728 /nfs/dbraw/zinc/89/87/28/138898728.db2.gz URQZWAGXKUWODF-LLVKDONJSA-N 0 0 343.357 1.923 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCOc1ncccc1Cl ZINC000191483144 138915373 /nfs/dbraw/zinc/91/53/73/138915373.db2.gz BLQOELOFSBVBMK-JTQLQIEISA-N 0 0 326.784 1.034 10 0 EDAERN CCOc1ncccc1C(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191796375 138924525 /nfs/dbraw/zinc/92/45/25/138924525.db2.gz BTHXIXGBBKJXFI-OAHLLOKOSA-N 0 0 330.388 1.910 10 0 EDAERN C[C@@H](CCC(=O)N[C@H]1CCCn2ncnc21)NC(=O)OC(C)(C)C ZINC000192395370 138943739 /nfs/dbraw/zinc/94/37/39/138943739.db2.gz BIACSACQVHQTFA-RYUDHWBXSA-N 0 0 337.424 1.923 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2c[nH]c(=S)[nH]2)CC1 ZINC000193088067 138960560 /nfs/dbraw/zinc/96/05/60/138960560.db2.gz QTLKLOWAAYUHRF-UHFFFAOYSA-N 0 0 334.449 1.007 10 0 EDAERN Cc1c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cnn1C1CCCC1 ZINC000193342367 138967157 /nfs/dbraw/zinc/96/71/57/138967157.db2.gz LLYKIIQANJLAKC-BBRMVZONSA-N 0 0 348.447 1.912 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc2ncccc2c1 ZINC000077938502 217003500 /nfs/dbraw/zinc/00/35/00/217003500.db2.gz XWPPNNJVBPTKRB-CZUORRHYSA-N 0 0 327.384 1.841 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000194864544 139001570 /nfs/dbraw/zinc/00/15/70/139001570.db2.gz QEUDDQAMHNHEQD-AWEZNQCLSA-N 0 0 335.835 1.510 10 0 EDAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N[C@H]1COc2ccccc21 ZINC000195272376 139011953 /nfs/dbraw/zinc/01/19/53/139011953.db2.gz MIFLLJRSQVZLIF-AWEZNQCLSA-N 0 0 349.350 1.456 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)CN1CCC(c2cc[nH]n2)CC1)C(=O)OC ZINC000195505928 139018624 /nfs/dbraw/zinc/01/86/24/139018624.db2.gz QLLRLJDEZZGESL-BLLLJJGKSA-N 0 0 336.436 1.293 10 0 EDAERN COCCNC(=O)CNc1cccc(Br)c1COC ZINC000049278340 213997641 /nfs/dbraw/zinc/99/76/41/213997641.db2.gz FANPMJUQYIUOLI-UHFFFAOYSA-N 0 0 331.210 1.770 10 0 EDAERN COc1ccc(OC)c(N2CCN(CC(=O)NC(C)(C)C)C2=O)c1 ZINC000049391428 214005012 /nfs/dbraw/zinc/00/50/12/214005012.db2.gz WVJKYUUWCHSISY-UHFFFAOYSA-N 0 0 335.404 1.861 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)NCc1cccs1 ZINC000195519760 139019560 /nfs/dbraw/zinc/01/95/60/139019560.db2.gz DNVAZNGEEVDHPM-LLVKDONJSA-N 0 0 341.458 1.584 10 0 EDAERN Nc1ccc(Cl)cc1NC(=O)CCCN1CCS(=O)CC1 ZINC000049691260 214027307 /nfs/dbraw/zinc/02/73/07/214027307.db2.gz REJIMGMIYHNTRC-UHFFFAOYSA-N 0 0 329.853 1.705 10 0 EDAERN Cn1c2ccccc2n(CCNC(=O)Cc2ccc(F)cc2)c1=O ZINC000049705579 214027887 /nfs/dbraw/zinc/02/78/87/214027887.db2.gz UVKBTCLAHFGYCE-UHFFFAOYSA-N 0 0 327.359 1.838 10 0 EDAERN Nc1ccc(NC(=O)CN2CCS(=O)CC2)c(Br)c1 ZINC000049691304 214028176 /nfs/dbraw/zinc/02/81/76/214028176.db2.gz USHJPMJIMKIQAO-UHFFFAOYSA-N 0 0 346.250 1.034 10 0 EDAERN COc1ccc(CNC(=O)CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000195521293 139019900 /nfs/dbraw/zinc/01/99/00/139019900.db2.gz OSFQEYGSILJVQA-OAHLLOKOSA-N 0 0 347.440 1.841 10 0 EDAERN Cc1c(C(=O)N[C@H]2C[C@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000087899975 291535126 /nfs/dbraw/zinc/53/51/26/291535126.db2.gz QPDMKNWCVTXKRV-LDWIPMOCSA-N 0 0 347.234 1.543 10 0 EDAERN CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237401330 139050088 /nfs/dbraw/zinc/05/00/88/139050088.db2.gz BWWLBIQSJKWEHN-NSHDSACASA-N 0 0 331.825 1.179 10 0 EDAERN C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083687 220097598 /nfs/dbraw/zinc/09/75/98/220097598.db2.gz LHWVYOOOVUVYDR-BBRMVZONSA-N 0 0 333.363 1.717 10 0 EDAERN Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)c1Cl ZINC000111344297 220142182 /nfs/dbraw/zinc/14/21/82/220142182.db2.gz BSHIVRKOTLCMBQ-MRVPVSSYSA-N 0 0 348.837 1.292 10 0 EDAERN Cn1cc(CCCNC(=O)N2CCO[C@H](c3nccs3)C2)cn1 ZINC000111851929 220208134 /nfs/dbraw/zinc/20/81/34/220208134.db2.gz QWRBVUVNQNQHSE-ZDUSSCGKSA-N 0 0 335.433 1.592 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cc(Br)cnc2Cl)C1 ZINC000112022889 220230696 /nfs/dbraw/zinc/23/06/96/220230696.db2.gz XCQDDRUZRRUYKH-SECBINFHSA-N 0 0 348.628 1.558 10 0 EDAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000111921090 220225011 /nfs/dbraw/zinc/22/50/11/220225011.db2.gz YZEHWVFLDGIIRP-ZDUSSCGKSA-N 0 0 342.399 1.430 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(C)nn3C)CC2)n1 ZINC000112036122 220233173 /nfs/dbraw/zinc/23/31/73/220233173.db2.gz OFYCOFXKEDKUQA-LBPRGKRZSA-N 0 0 332.408 1.193 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H](c3ccccc3)N(C)C)CCO2)c1 ZINC000112065001 220237774 /nfs/dbraw/zinc/23/77/74/220237774.db2.gz FNGPGRGLDOTHGE-MSOLQXFVSA-N 0 0 342.443 1.722 10 0 EDAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245630592 139081456 /nfs/dbraw/zinc/08/14/56/139081456.db2.gz PWNWWYVFPFZUBH-IOASZLSFSA-N 0 0 334.464 1.699 10 0 EDAERN COc1ccc(CNC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cn1 ZINC000112105516 220244301 /nfs/dbraw/zinc/24/43/01/220244301.db2.gz WUNLEHLNRWMFNS-OAHLLOKOSA-N 0 0 345.403 1.206 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000245703396 139083718 /nfs/dbraw/zinc/08/37/18/139083718.db2.gz ZTFRCMHRJGMZMM-USXIJHARSA-N 0 0 345.443 1.902 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000150713614 223730172 /nfs/dbraw/zinc/73/01/72/223730172.db2.gz JVHHYHYKPIXXON-LBPRGKRZSA-N 0 0 344.419 1.066 10 0 EDAERN Nc1ccc(S(=O)(=O)NCc2ccon2)cc1Br ZINC000148598258 223725039 /nfs/dbraw/zinc/72/50/39/223725039.db2.gz KBVYCDPXTALNNR-UHFFFAOYSA-N 0 0 332.179 1.498 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H](C)O1 ZINC000083582523 217547646 /nfs/dbraw/zinc/54/76/46/217547646.db2.gz HZHDJIQTHIGWDZ-IUCAKERBSA-N 0 0 344.209 1.789 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)O1 ZINC000245976929 139091616 /nfs/dbraw/zinc/09/16/16/139091616.db2.gz GHLUKKKAPGDILR-UXIGCNINSA-N 0 0 328.372 1.773 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN([C@@H](C(=O)OC)c2cccnc2)C1 ZINC000246319068 139104045 /nfs/dbraw/zinc/10/40/45/139104045.db2.gz CBZAZMBYJGWRTC-HUUCEWRRSA-N 0 0 329.404 1.787 10 0 EDAERN C[C@@H]1C[N@@H+]([C@@H](C(=O)N(C)C)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000246340744 139104655 /nfs/dbraw/zinc/10/46/55/139104655.db2.gz FFOVUNTYZPZGLH-BPQIPLTHSA-N 0 0 331.460 1.468 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2ccc(F)cc2F)C[C@H]1N1CCOCC1 ZINC000246511863 139111362 /nfs/dbraw/zinc/11/13/62/139111362.db2.gz QQJPBSUDUCDINI-BLLLJJGKSA-N 0 0 339.386 1.556 10 0 EDAERN CCc1cccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000246642991 139116281 /nfs/dbraw/zinc/11/62/81/139116281.db2.gz ZROCSDJLQITJRS-PBHICJAKSA-N 0 0 338.473 1.590 10 0 EDAERN COC(=O)CCC(=O)NC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000013626080 211594839 /nfs/dbraw/zinc/59/48/39/211594839.db2.gz IKFVLBGTCAXNAZ-UHFFFAOYSA-N 0 0 337.401 1.155 10 0 EDAERN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000246944841 139127945 /nfs/dbraw/zinc/12/79/45/139127945.db2.gz LBEHEXWEWSPWSL-KGLIPLIRSA-N 0 0 328.478 1.429 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](CCO)CC(C)C ZINC000247051167 139133389 /nfs/dbraw/zinc/13/33/89/139133389.db2.gz TYRYPSGMJNTJFE-HUUCEWRRSA-N 0 0 348.509 1.352 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(OC)c1 ZINC000088816965 217770710 /nfs/dbraw/zinc/77/07/10/217770710.db2.gz PVIWTYMDMNQIRE-CYBMUJFWSA-N 0 0 343.387 1.439 10 0 EDAERN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247206868 139140475 /nfs/dbraw/zinc/14/04/75/139140475.db2.gz PKKBJKZFMMLIAS-VVLHAWIVSA-N 0 0 345.487 1.740 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C)c(F)c2)C[C@H]1C ZINC000247260487 139143013 /nfs/dbraw/zinc/14/30/13/139143013.db2.gz YKWTXKZTYUURGJ-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN O=C1[C@@H](N2CCO[C@H](c3nccs3)C2)CCN1CC(F)(F)F ZINC000247512555 139151081 /nfs/dbraw/zinc/15/10/81/139151081.db2.gz JVQQUDKPQGWLPN-UWVGGRQHSA-N 0 0 335.351 1.680 10 0 EDAERN Cn1cc(N2CC[C@@H](N3CC[C@@H](CNc4ccccn4)C3)C2=O)cn1 ZINC000247737120 139154705 /nfs/dbraw/zinc/15/47/05/139154705.db2.gz VYYMUUFWTPXFLE-GOEBONIOSA-N 0 0 340.431 1.354 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)COc2cc(C)cc(C)c2)n1 ZINC000248485327 139166023 /nfs/dbraw/zinc/16/60/23/139166023.db2.gz KOWZUPXIOJYCEK-WBVHZDCISA-N 0 0 347.415 1.808 10 0 EDAERN O=C(NCCc1cn[nH]c1)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000011998407 211277306 /nfs/dbraw/zinc/27/73/06/211277306.db2.gz XZBSUYJGIXMJRB-OAHLLOKOSA-N 0 0 344.390 1.646 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000248643893 139169815 /nfs/dbraw/zinc/16/98/15/139169815.db2.gz PMAYPEWTZVPRSW-ZIAGYGMSSA-N 0 0 331.420 1.407 10 0 EDAERN COc1ccccc1COC1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000091819845 218070504 /nfs/dbraw/zinc/07/05/04/218070504.db2.gz ZVPCNTKCEPTONA-CQSZACIVSA-N 0 0 332.400 1.339 10 0 EDAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000092228501 218126885 /nfs/dbraw/zinc/12/68/85/218126885.db2.gz VIEMGPFGEUUPAY-LLVKDONJSA-N 0 0 332.187 1.118 10 0 EDAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000092465800 218143599 /nfs/dbraw/zinc/14/35/99/218143599.db2.gz AXXHSJGXCCISJK-RYUDHWBXSA-N 0 0 329.422 1.372 10 0 EDAERN CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000093170025 218199215 /nfs/dbraw/zinc/19/92/15/218199215.db2.gz ORLBGDVSZWBKKB-INIZCTEOSA-N 0 0 343.431 1.725 10 0 EDAERN O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)[N-]OCc1ccccc1 ZINC000093172336 218199824 /nfs/dbraw/zinc/19/98/24/218199824.db2.gz MCGAKQITVUBMMH-UHFFFAOYSA-N 0 0 341.415 1.237 10 0 EDAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000093221241 218205504 /nfs/dbraw/zinc/20/55/04/218205504.db2.gz HALFQQVMPDTGGQ-ZDUSSCGKSA-N 0 0 333.436 1.273 10 0 EDAERN O=C(COc1ccccc1O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000151745061 223861424 /nfs/dbraw/zinc/86/14/24/223861424.db2.gz DMVSFHFOIDUEOM-ZDUSSCGKSA-N 0 0 328.372 1.346 10 0 EDAERN Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093883629 218255601 /nfs/dbraw/zinc/25/56/01/218255601.db2.gz WIEZJGCWYTYXSX-ZBFHGGJFSA-N 0 0 348.353 1.597 10 0 EDAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249528444 139195054 /nfs/dbraw/zinc/19/50/54/139195054.db2.gz ZLVGIDBAHHCLJE-QCEMKRCNSA-N 0 0 339.457 1.867 10 0 EDAERN CCOC(=O)CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 ZINC000009206395 211053163 /nfs/dbraw/zinc/05/31/63/211053163.db2.gz XTWOYOVISTVZBM-NSHDSACASA-N 0 0 342.417 1.655 10 0 EDAERN C[C@H](C(=O)N[C@@H]1COc2ccccc21)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000250208335 139200811 /nfs/dbraw/zinc/20/08/11/139200811.db2.gz LJEJGPNHYKICJL-UKTARXLSSA-N 0 0 342.395 1.800 10 0 EDAERN Cn1ccnc1[C@H]1CNCCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000261826553 139229413 /nfs/dbraw/zinc/22/94/13/139229413.db2.gz YNWMMTQYXMWIIH-CQSZACIVSA-N 0 0 338.371 1.257 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCc1ncc[nH]1 ZINC000187852419 272953334 /nfs/dbraw/zinc/95/33/34/272953334.db2.gz CNUXPFSZAALJAY-WDEREUQCSA-N 0 0 326.372 1.416 10 0 EDAERN COCCN1CCN(C(=O)c2cc(-n3cccn3)ccn2)C[C@@H]1C ZINC000135462261 532958457 /nfs/dbraw/zinc/95/84/57/532958457.db2.gz YDMFSAUSWWBCCO-AWEZNQCLSA-N 0 0 329.404 1.060 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@@H]1C ZINC000153081508 532960768 /nfs/dbraw/zinc/96/07/68/532960768.db2.gz MPYSJHBNDLBJTQ-ZDUSSCGKSA-N 0 0 329.404 1.264 10 0 EDAERN COCCNc1nc(N)n(-c2ccc(Br)cc2C)n1 ZINC000165875088 533033786 /nfs/dbraw/zinc/03/37/86/533033786.db2.gz IKBPVQSFMZYNNJ-UHFFFAOYSA-N 0 0 326.198 1.979 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1OCC(F)F)[C@H]1CCCO1 ZINC000153403948 224099726 /nfs/dbraw/zinc/09/97/26/224099726.db2.gz XMNPOCVCNKWNHP-ZYHUDNBSSA-N 0 0 342.342 1.953 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(C)cc(F)c1 ZINC000153471814 224109504 /nfs/dbraw/zinc/10/95/04/224109504.db2.gz QENRSIZISXBTSQ-CYBMUJFWSA-N 0 0 331.351 1.624 10 0 EDAERN C[C@H](CNC(=O)NCCc1cc2ccccc2o1)N1CCOCC1 ZINC000153620977 224131660 /nfs/dbraw/zinc/13/16/60/224131660.db2.gz RJIWRAGQDQOBMS-CQSZACIVSA-N 0 0 331.416 1.995 10 0 EDAERN COc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)ccc1OC(F)F ZINC000112653784 220364977 /nfs/dbraw/zinc/36/49/77/220364977.db2.gz WNAWOENNLBPNTB-SNVBAGLBSA-N 0 0 338.314 1.633 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(F)ccc1Br ZINC000112653664 220365330 /nfs/dbraw/zinc/36/53/30/220365330.db2.gz WJXWAEASEHVQPN-VIFPVBQESA-N 0 0 339.168 1.925 10 0 EDAERN Cc1c(C(=O)N[C@H]2CCc3ncnn3C2)cnn1-c1ccc(F)cc1 ZINC000112655278 220365990 /nfs/dbraw/zinc/36/59/90/220365990.db2.gz AYIYSKWZQRVNRW-ZDUSSCGKSA-N 0 0 340.362 1.656 10 0 EDAERN COc1cccc(CO[C@@H](C)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112662541 220368529 /nfs/dbraw/zinc/36/85/29/220368529.db2.gz SOKNHTGCNPGALL-GXTWGEPZSA-N 0 0 330.388 1.323 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)Nc3cnn(CC)c3)CC2)cn1 ZINC000112713116 220384872 /nfs/dbraw/zinc/38/48/72/220384872.db2.gz NBJJMLQWGOHSQG-UHFFFAOYSA-N 0 0 345.451 1.859 10 0 EDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)cn1 ZINC000153952979 224181641 /nfs/dbraw/zinc/18/16/41/224181641.db2.gz NNATXICUTIDPIM-SECBINFHSA-N 0 0 341.824 1.229 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccccc2)C[C@H]1CC ZINC000116899241 221008196 /nfs/dbraw/zinc/00/81/96/221008196.db2.gz HUTDFBLRSVUUMH-QGZVFWFLSA-N 0 0 340.489 1.949 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)CCN1CCOC ZINC000117372518 221059216 /nfs/dbraw/zinc/05/92/16/221059216.db2.gz QKKFKTKQXFSXDQ-GFCCVEGCSA-N 0 0 347.868 1.466 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000117369839 221059369 /nfs/dbraw/zinc/05/93/69/221059369.db2.gz CRPFBNLFWHRMLI-LBPRGKRZSA-N 0 0 347.868 1.217 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3onc(C)c3c2)C[C@@H]1C ZINC000117274872 221042094 /nfs/dbraw/zinc/04/20/94/221042094.db2.gz MZNYIRFQTQTPMC-LBPRGKRZSA-N 0 0 332.404 1.714 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@@H]1C ZINC000117296542 221046928 /nfs/dbraw/zinc/04/69/28/221046928.db2.gz AZNFPJZNGFYWDS-ZDUSSCGKSA-N 0 0 345.399 1.428 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCN1CCOC ZINC000117309548 221050612 /nfs/dbraw/zinc/05/06/12/221050612.db2.gz GEPAWPUHNBOODP-SFHVURJKSA-N 0 0 344.455 1.927 10 0 EDAERN O=c1c2ccccc2ncn1CCN1CCO[C@@H](c2nccs2)C1 ZINC000117337941 221055830 /nfs/dbraw/zinc/05/58/30/221055830.db2.gz IMJOBEOAWHRLDS-OAHLLOKOSA-N 0 0 342.424 1.927 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccccc2CC)C[C@@H]1C ZINC000117521608 221072823 /nfs/dbraw/zinc/07/28/23/221072823.db2.gz MYGWVPSVWXMVDF-HNNXBMFYSA-N 0 0 347.459 1.757 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2)C[C@@H]1C ZINC000117522050 221073948 /nfs/dbraw/zinc/07/39/48/221073948.db2.gz BXYCFEOZSFEFSX-HNNXBMFYSA-N 0 0 333.432 1.503 10 0 EDAERN Cc1cnn(CCNC(=O)CCc2nc(-c3ccccn3)no2)c1 ZINC000117812300 221091863 /nfs/dbraw/zinc/09/18/63/221091863.db2.gz ZEBMESZEKBQMOT-UHFFFAOYSA-N 0 0 326.360 1.386 10 0 EDAERN Cc1cnn(CCNC(=O)CCN2c3ccccc3O[C@H](C)C2=O)c1 ZINC000117815511 221092604 /nfs/dbraw/zinc/09/26/04/221092604.db2.gz WJCXIEASIONNEQ-CQSZACIVSA-N 0 0 342.399 1.512 10 0 EDAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000118081246 221112669 /nfs/dbraw/zinc/11/26/69/221112669.db2.gz YMCRJBSFUKWLBU-HNNXBMFYSA-N 0 0 335.452 1.529 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000118115790 221121099 /nfs/dbraw/zinc/12/10/99/221121099.db2.gz KGVBLYCZLAIPKT-GFCCVEGCSA-N 0 0 327.331 1.010 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)nc2)C1 ZINC000118825142 221189941 /nfs/dbraw/zinc/18/99/41/221189941.db2.gz XUPHBBGEFZGYOF-SNVBAGLBSA-N 0 0 327.178 1.869 10 0 EDAERN CCn1cc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)ccc1=O ZINC000119371571 221305524 /nfs/dbraw/zinc/30/55/24/221305524.db2.gz XXQHCGBYFJHLCY-UHFFFAOYSA-N 0 0 343.427 1.748 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CCNC(=O)CC(C)C)C1 ZINC000119449512 221323037 /nfs/dbraw/zinc/32/30/37/221323037.db2.gz NZCUUWAWTYAREF-CQSZACIVSA-N 0 0 335.452 1.556 10 0 EDAERN Clc1ccc(-n2cc(CN3CC[C@H](N4CCOCC4)C3)nn2)cc1 ZINC000119431530 221319143 /nfs/dbraw/zinc/31/91/43/221319143.db2.gz IFNFIPBECNRTLM-KRWDZBQOSA-N 0 0 347.850 1.827 10 0 EDAERN CCn1cc(C2CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)cn1 ZINC000119723245 221386172 /nfs/dbraw/zinc/38/61/72/221386172.db2.gz OSUIFNQNGQBULQ-UHFFFAOYSA-N 0 0 329.404 1.360 10 0 EDAERN CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1cccc2c1OCCO2 ZINC000253611186 257657646 /nfs/dbraw/zinc/65/76/46/257657646.db2.gz FUIGEQRRGZGMSU-UNEWFSDZSA-N 0 0 333.384 1.866 10 0 EDAERN Cc1ccc(C(=O)N2CC[C@@]3(C2)C[C@H](N2CCCC2=O)CCO3)o1 ZINC000247933955 257672925 /nfs/dbraw/zinc/67/29/25/257672925.db2.gz RKEUMYKPFJJLNF-KDOFPFPSSA-N 0 0 332.400 1.974 10 0 EDAERN COCCO[C@@H]1CCN(C(=O)c2ccoc2C)[C@@H]1Cc1cnn(C)c1 ZINC000248081179 257665779 /nfs/dbraw/zinc/66/57/79/257665779.db2.gz AJDPLKHBQJTCBT-IAGOWNOFSA-N 0 0 347.415 1.810 10 0 EDAERN CCc1nsc(N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)n1 ZINC000328651872 258020388 /nfs/dbraw/zinc/02/03/88/258020388.db2.gz WCRJPUSASFLJNH-UWVGGRQHSA-N 0 0 326.401 1.845 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CCCC1 ZINC000187644145 533260245 /nfs/dbraw/zinc/26/02/45/533260245.db2.gz OGZQABSGGJQWIE-NEPJUHHUSA-N 0 0 349.456 1.809 10 0 EDAERN COc1ccc(C2=C(N3CCOCC3)C(=O)N(C(C)C)C2=O)cc1 ZINC000170030652 533429061 /nfs/dbraw/zinc/42/90/61/533429061.db2.gz IRIOCWRSRJAGSL-UHFFFAOYSA-N 0 0 330.384 1.516 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1cccc(Br)c1 ZINC000168827129 533548240 /nfs/dbraw/zinc/54/82/40/533548240.db2.gz FJWPOHFRZNIQHG-NWDGAFQWSA-N 0 0 342.189 1.126 10 0 EDAERN O=C(N1CCc2ccccc21)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000328992930 140688915 /nfs/dbraw/zinc/68/89/15/140688915.db2.gz SWRFRTMIFGTRSN-LJQANCHMSA-N 0 0 343.427 1.618 10 0 EDAERN Cn1c(=O)cc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)c2ccccc21 ZINC000330043433 140797363 /nfs/dbraw/zinc/79/73/63/140797363.db2.gz HGDSJVXHYIOVMU-CYBMUJFWSA-N 0 0 339.395 1.375 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3C[C@@H](C)O[C@@]4(CCOC4)C3)c2)n[nH]1 ZINC000330062109 140799271 /nfs/dbraw/zinc/79/92/71/140799271.db2.gz OWKFYYXFUQQVCX-XIKOKIGWSA-N 0 0 342.399 1.800 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cnn2ncccc12 ZINC000333052981 141255776 /nfs/dbraw/zinc/25/57/76/141255776.db2.gz QTZIXGJBUMPPQZ-BBRMVZONSA-N 0 0 340.387 1.340 10 0 EDAERN CCn1cncc1S(=O)(=O)N1CCC(Cc2nccn2C)CC1 ZINC000333184473 141277690 /nfs/dbraw/zinc/27/76/90/141277690.db2.gz NOLTZLLDIRULKK-UHFFFAOYSA-N 0 0 337.449 1.280 10 0 EDAERN O=C(C[C@@H]1Oc2ccccc2NC1=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333316624 141298259 /nfs/dbraw/zinc/29/82/59/141298259.db2.gz KHVFQACQVLCSOE-RISCZKNCSA-N 0 0 341.371 1.301 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000089746919 285787665 /nfs/dbraw/zinc/78/76/65/285787665.db2.gz AJSVTSBPZATGCC-JJRVBVJISA-N 0 0 326.437 1.912 10 0 EDAERN O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328969348 304339083 /nfs/dbraw/zinc/33/90/83/304339083.db2.gz ULQFODXUSCXHLC-RBSFLKMASA-N 0 0 343.383 1.757 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C12CCOCC2 ZINC000186463716 286487118 /nfs/dbraw/zinc/48/71/18/286487118.db2.gz RZTBCWUBEJKJNX-CABCVRRESA-N 0 0 344.415 1.970 10 0 EDAERN COCCN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000131999611 292399320 /nfs/dbraw/zinc/39/93/20/292399320.db2.gz JYYOANUTNDEDCJ-BZUAXINKSA-N 0 0 343.489 1.865 10 0 EDAERN C[C@H](NC(=O)NCCCS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 ZINC000066893336 287244348 /nfs/dbraw/zinc/24/43/48/287244348.db2.gz WUZFEUWMQSFQDJ-ZFWWWQNUSA-N 0 0 340.445 1.717 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCOCC(F)(F)F ZINC000087057310 287318508 /nfs/dbraw/zinc/31/85/08/287318508.db2.gz SFFLJMOASGMFNL-JTQLQIEISA-N 0 0 349.357 1.944 10 0 EDAERN O=C(COc1ccc(F)cc1Br)NCC1CC(O)C1 ZINC000091426595 287332332 /nfs/dbraw/zinc/33/23/32/287332332.db2.gz ZQJBQFHJEPLZKA-UHFFFAOYSA-N 0 0 332.169 1.854 10 0 EDAERN O=S(=O)(NCC1CC(O)C1)c1cccc(OC(F)(F)F)c1 ZINC000091525629 287332420 /nfs/dbraw/zinc/33/24/20/287332420.db2.gz IWQZEPCUMNHAJC-UHFFFAOYSA-N 0 0 325.308 1.634 10 0 EDAERN [NH3+][C@@H](Cc1cn(Cc2cccc(Br)c2)nn1)C(=O)[O-] ZINC000157724802 224876780 /nfs/dbraw/zinc/87/67/80/224876780.db2.gz RLFCRRWSDQMZON-NSHDSACASA-N 0 0 325.166 1.043 10 0 EDAERN Cc1c(NC(=O)[C@H]2CC[C@H](C)O2)cccc1S(=O)(=O)NC1CC1 ZINC000157780242 224885796 /nfs/dbraw/zinc/88/57/96/224885796.db2.gz AHGVLCMQBYRQEC-IINYFYTJSA-N 0 0 338.429 1.942 10 0 EDAERN O=c1c(Br)c(NCc2ccsc2)cnn1CCO ZINC000157409526 224821091 /nfs/dbraw/zinc/82/10/91/224821091.db2.gz DPDSXIIIIOKPBV-UHFFFAOYSA-N 0 0 330.207 1.672 10 0 EDAERN COCCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158499944 225030302 /nfs/dbraw/zinc/03/03/02/225030302.db2.gz TZZBXZMGGOWYIM-SMDDNHRTSA-N 0 0 335.372 1.439 10 0 EDAERN O=C1Cc2cc(S(=O)(=O)NCC3(O)CCC3)c(Cl)cc2N1 ZINC000158592728 225049085 /nfs/dbraw/zinc/04/90/85/225049085.db2.gz JOUSFIHWTIIRNH-UHFFFAOYSA-N 0 0 330.793 1.028 10 0 EDAERN COCCC[C@@H]([NH3+])C(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000159469403 225222973 /nfs/dbraw/zinc/22/29/73/225222973.db2.gz LXSLWHDRBKUZTC-SNVBAGLBSA-N 0 0 345.193 1.840 10 0 EDAERN Nc1nc(N2CCOCC2)sc1C(=O)N[C@@H]1CCCSC1 ZINC000163753709 226014613 /nfs/dbraw/zinc/01/46/13/226014613.db2.gz BPDMLMXFYFENJP-SECBINFHSA-N 0 0 328.463 1.187 10 0 EDAERN Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2CO)cc(N)c1Cl ZINC000164776710 226096887 /nfs/dbraw/zinc/09/68/87/226096887.db2.gz BBGKAGQTDDNORZ-GHMZBOCLSA-N 0 0 332.853 1.918 10 0 EDAERN Cc1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc(N)c1Cl ZINC000164787351 226099903 /nfs/dbraw/zinc/09/99/03/226099903.db2.gz WQGYDZMJMGCMIQ-UHFFFAOYSA-N 0 0 333.841 1.424 10 0 EDAERN C[C@H](CNC(=O)c1cc(N)c(F)cc1Br)[S@](C)=O ZINC000165008464 226105756 /nfs/dbraw/zinc/10/57/56/226105756.db2.gz IDFXSOOCESSVPQ-FWCARGHBSA-N 0 0 337.214 1.667 10 0 EDAERN COCCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165099905 226110866 /nfs/dbraw/zinc/11/08/66/226110866.db2.gz KJURFUNLZRAJMI-UHFFFAOYSA-N 0 0 338.788 1.235 10 0 EDAERN Cc1ccc(N)cc1[S@@](=O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000165951888 226142407 /nfs/dbraw/zinc/14/24/07/226142407.db2.gz BMTVEYIDWWMWKU-FKIZINRSSA-N 0 0 330.475 1.356 10 0 EDAERN C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165951481 226142766 /nfs/dbraw/zinc/14/27/66/226142766.db2.gz LIKZTVCEUMYDAY-LURJTMIESA-N 0 0 338.216 1.085 10 0 EDAERN Cc1cc(C(N)=O)ccc1Cn1cnc(C)c(Br)c1=O ZINC000166210244 226151006 /nfs/dbraw/zinc/15/10/06/226151006.db2.gz IHZFVADUDYYMQH-UHFFFAOYSA-N 0 0 336.189 1.770 10 0 EDAERN COC[C@H](C)n1cnc(Cl)c(I)c1=O ZINC000166340099 226154897 /nfs/dbraw/zinc/15/48/97/226154897.db2.gz CIZUUYWEWGRMHJ-YFKPBYRVSA-N 0 0 328.537 1.709 10 0 EDAERN Cc1cc(N2CCOC[C@@H]2C(=O)NC(C)C)ncc1Br ZINC000166328901 226155183 /nfs/dbraw/zinc/15/51/83/226155183.db2.gz MDVPGXOPCLBELQ-GFCCVEGCSA-N 0 0 342.237 1.882 10 0 EDAERN COCC[C@@H]([NH3+])C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166666103 226164491 /nfs/dbraw/zinc/16/44/91/226164491.db2.gz RQNPSYGADITFQV-SNVBAGLBSA-N 0 0 331.166 1.450 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1C(=O)/C=C/c1ccc(Br)o1 ZINC000168470371 226215358 /nfs/dbraw/zinc/21/53/58/226215358.db2.gz YEIQVNMXLPYWDS-DLSFUBIUSA-N 0 0 330.178 1.664 10 0 EDAERN Nc1ccc(-c2nnnn2C[C@H]2CCCS2(=O)=O)cc1Cl ZINC000168702987 226221252 /nfs/dbraw/zinc/22/12/52/226221252.db2.gz ZCHDVIBLXYTKHU-SECBINFHSA-N 0 0 327.797 1.153 10 0 EDAERN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCOC[C@H]1CO ZINC000168648684 226221551 /nfs/dbraw/zinc/22/15/51/226221551.db2.gz ZITOYBUWCRDBLA-SNVBAGLBSA-N 0 0 326.201 1.375 10 0 EDAERN Cc1cc(Br)c(NC(=O)[C@H](C)S(C)(=O)=O)cc1N ZINC000169126952 226233211 /nfs/dbraw/zinc/23/32/11/226233211.db2.gz HBMFXAJFKIOAER-ZETCQYMHSA-N 0 0 335.223 1.711 10 0 EDAERN CCS(=O)(=O)NC1CCN(C(=O)c2cnccc2Cl)CC1 ZINC000169286299 226236226 /nfs/dbraw/zinc/23/62/26/226236226.db2.gz VTLPZQCXWGMOMI-UHFFFAOYSA-N 0 0 331.825 1.279 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000171051674 226857116 /nfs/dbraw/zinc/85/71/16/226857116.db2.gz KNUYPTDEZUNVQC-JOYOIKCWSA-N 0 0 346.246 1.889 10 0 EDAERN CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000120392198 221566595 /nfs/dbraw/zinc/56/65/95/221566595.db2.gz FDNTYSLADKEMHH-GFCCVEGCSA-N 0 0 338.795 1.442 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000120537024 221606955 /nfs/dbraw/zinc/60/69/55/221606955.db2.gz WLNJDWOHBSWQMS-HOTGVXAUSA-N 0 0 348.443 1.963 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1nccc(N)n1)C(C)C ZINC000120567716 221615898 /nfs/dbraw/zinc/61/58/98/221615898.db2.gz WTTNUGMJLMTZTL-MRXNPFEDSA-N 0 0 341.415 1.438 10 0 EDAERN CCC1CCC(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000121634667 221893857 /nfs/dbraw/zinc/89/38/57/221893857.db2.gz DMKSMHGNVJSMCZ-UHFFFAOYSA-N 0 0 344.415 1.331 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000123033194 222204056 /nfs/dbraw/zinc/20/40/56/222204056.db2.gz VPIIGSZJOMHKOF-SWLSCSKDSA-N 0 0 334.445 1.873 10 0 EDAERN C[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000123140596 222222900 /nfs/dbraw/zinc/22/29/00/222222900.db2.gz XSEHUXKMJIBMMS-NHYWBVRUSA-N 0 0 331.347 1.669 10 0 EDAERN C[C@H](CNC(=O)Nc1cccc(OCCF)c1)N1CCOCC1 ZINC000123165933 222228068 /nfs/dbraw/zinc/22/80/68/222228068.db2.gz ZLPOPPDJDAOEFR-CYBMUJFWSA-N 0 0 325.384 1.877 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123219720 222236730 /nfs/dbraw/zinc/23/67/30/222236730.db2.gz XDOXFRWJUJJYKN-KUHUBIRLSA-N 0 0 345.443 1.845 10 0 EDAERN CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123271601 222247052 /nfs/dbraw/zinc/24/70/52/222247052.db2.gz XRJFJLQEWSKZPN-AWEZNQCLSA-N 0 0 326.418 1.132 10 0 EDAERN CCn1cc(C2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)cn1 ZINC000123763248 222328458 /nfs/dbraw/zinc/32/84/58/222328458.db2.gz BBJBCEWEMJSTNB-UHFFFAOYSA-N 0 0 331.420 1.973 10 0 EDAERN CCn1cc(C2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)cn1 ZINC000123838724 222340310 /nfs/dbraw/zinc/34/03/10/222340310.db2.gz SVJRVXKAXPPFMH-UHFFFAOYSA-N 0 0 348.447 1.248 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3nnc(C)n3CC)CC2)n1 ZINC000171594907 227161573 /nfs/dbraw/zinc/16/15/73/227161573.db2.gz JJDRYMAOCNWUPK-UHFFFAOYSA-N 0 0 331.424 1.117 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(N)nc(Cl)c3)CCO2)c1 ZINC000171827431 227302892 /nfs/dbraw/zinc/30/28/92/227302892.db2.gz ULLCOKRATLVDFB-GFCCVEGCSA-N 0 0 335.795 1.363 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C)cc3)CCO2)c1 ZINC000171837123 227310100 /nfs/dbraw/zinc/31/01/00/227310100.db2.gz OAKINENCMMFVST-INIZCTEOSA-N 0 0 342.399 1.366 10 0 EDAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000172571976 227772311 /nfs/dbraw/zinc/77/23/11/227772311.db2.gz BTIBYBWPOVQETP-OAHLLOKOSA-N 0 0 348.428 1.566 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)cn2C)C[C@@H]1C ZINC000173947781 533683738 /nfs/dbraw/zinc/68/37/38/533683738.db2.gz WMZLVJFEXJTWEB-WDEREUQCSA-N 0 0 344.253 1.315 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000193576626 272996105 /nfs/dbraw/zinc/99/61/05/272996105.db2.gz RYPOJCHYNHWNOQ-HNAYVOBHSA-N 0 0 346.427 1.925 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3nccc(N)n3)C[C@@H]12 ZINC000248609677 273016404 /nfs/dbraw/zinc/01/64/04/273016404.db2.gz PZYQGVRIVHNCKB-JHJVBQTASA-N 0 0 333.436 1.794 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3cccc(F)c3)CCO2)[nH]1 ZINC000247226975 273015820 /nfs/dbraw/zinc/01/58/20/273015820.db2.gz WNVYMKDVKMZSGN-QMTHXVAHSA-N 0 0 333.367 1.653 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)NCC2CCC2)CC1 ZINC000108867645 272923370 /nfs/dbraw/zinc/92/33/70/272923370.db2.gz ROBRHQOBPOYNMZ-UHFFFAOYSA-N 0 0 333.480 1.071 10 0 EDAERN CCN1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000174616645 272935804 /nfs/dbraw/zinc/93/58/04/272935804.db2.gz RAJGHANKTBJJPX-UONOGXRCSA-N 0 0 325.453 1.844 10 0 EDAERN COc1ccc(O)cc1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000186676618 272946334 /nfs/dbraw/zinc/94/63/34/272946334.db2.gz LYEJOBVMJURTAO-UHFFFAOYSA-N 0 0 328.372 1.908 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000249448447 287800303 /nfs/dbraw/zinc/80/03/03/287800303.db2.gz LQPOMLUGLFHXEQ-SQWLQELKSA-N 0 0 345.443 1.520 10 0 EDAERN COc1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1OC ZINC000255419349 287839854 /nfs/dbraw/zinc/83/98/54/287839854.db2.gz FWCOFNQNUIZSGT-QQBNSCQMSA-N 0 0 332.400 1.796 10 0 EDAERN CN(C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)c1cnn(C)c1 ZINC000173180478 276734660 /nfs/dbraw/zinc/73/46/60/276734660.db2.gz WUDACDBAFQWFGH-DOTOQJQBSA-N 0 0 326.400 1.993 10 0 EDAERN C[C@@H](NC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)NCc1ccco1 ZINC000106434669 278329732 /nfs/dbraw/zinc/32/97/32/278329732.db2.gz XQSBFLYMSLFHBT-PBHICJAKSA-N 0 0 343.427 1.573 10 0 EDAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172758722 278619665 /nfs/dbraw/zinc/61/96/65/278619665.db2.gz SVLLDTPZWWTIJX-INIZCTEOSA-N 0 0 341.415 1.122 10 0 EDAERN CC(C)[C@@H](C)CNC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000190280814 279807557 /nfs/dbraw/zinc/80/75/57/279807557.db2.gz PWFWFTFPYCONFX-JSGCOSHPSA-N 0 0 342.465 1.193 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@@]12CCCO2 ZINC000333619436 280046562 /nfs/dbraw/zinc/04/65/62/280046562.db2.gz PHXMWCJCEAKJGA-IPYPFGDCSA-N 0 0 330.450 1.163 10 0 EDAERN CC1(C)CO[C@H](c2ccccc2Cl)CN1CC(=O)NC(N)=O ZINC000111308513 281296620 /nfs/dbraw/zinc/29/66/20/281296620.db2.gz OQTMKPDEGYAVGJ-LBPRGKRZSA-N 0 0 325.796 1.687 10 0 EDAERN CN(C)C(=O)c1cccc(NC(=O)CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000249743518 282010775 /nfs/dbraw/zinc/01/07/75/282010775.db2.gz KJGMWFOGHJPINI-SJORKVTESA-N 0 0 345.443 1.970 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@]12CCOC2=O ZINC000187512113 288633268 /nfs/dbraw/zinc/63/32/68/288633268.db2.gz UHQCSQLEJVRPKH-MEDUHNTESA-N 0 0 333.392 1.167 10 0 EDAERN CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1 ZINC000158459358 289034063 /nfs/dbraw/zinc/03/40/63/289034063.db2.gz NUIZGORLTSSPGX-MRXNPFEDSA-N 0 0 348.424 1.400 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)[C@H]1c1ccccc1 ZINC000176019727 289793499 /nfs/dbraw/zinc/79/34/99/289793499.db2.gz IVPDATKVAJHJKV-AAJLLMFJSA-N 0 0 328.412 1.649 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000081587043 293509254 /nfs/dbraw/zinc/50/92/54/293509254.db2.gz UNYBUJFVNSNCFO-KSSFIOAISA-N 0 0 340.383 1.709 10 0 EDAERN CO[C@H]([C@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)C1CC1 ZINC000333585973 294470375 /nfs/dbraw/zinc/47/03/75/294470375.db2.gz AYXAITDRHGEVQK-SJXGUFTOSA-N 0 0 325.453 1.305 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000174316821 533693911 /nfs/dbraw/zinc/69/39/11/533693911.db2.gz RFEDLMATCMWESR-HUUCEWRRSA-N 0 0 340.427 1.671 10 0 EDAERN C[C@H](C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)N1CCOCC1 ZINC000333131748 298022903 /nfs/dbraw/zinc/02/29/03/298022903.db2.gz ITMCFKZWPCGUIR-HUUCEWRRSA-N 0 0 347.463 1.389 10 0 EDAERN O=C(N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)C1(CO)COC1 ZINC000333695255 303691055 /nfs/dbraw/zinc/69/10/55/303691055.db2.gz DDBRQUQOCIEKON-LLVKDONJSA-N 0 0 337.338 1.203 10 0 EDAERN O=C(CN(Cc1ccco1)C(=O)c1csnn1)NC1CCCC1 ZINC000001378469 440841812 /nfs/dbraw/zinc/84/18/12/440841812.db2.gz VMSJHUQBJHZFNO-UHFFFAOYSA-N 0 0 334.401 1.832 10 0 EDAERN Cn1c2ccccc2nc(-c2nnc(NC(=O)C(C)(C)C)o2)c1=O ZINC000013359111 441157790 /nfs/dbraw/zinc/15/77/90/441157790.db2.gz HHKUZTCOFATIRN-UHFFFAOYSA-N 0 0 327.344 1.968 10 0 EDAERN C[C@H](CNC(=O)NCCCCNc1ccccn1)N1CCOCC1 ZINC000105124586 441236541 /nfs/dbraw/zinc/23/65/41/441236541.db2.gz ZCCBXEBNHRAOSJ-OAHLLOKOSA-N 0 0 335.452 1.294 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCc2nc(C(C)(C)C)cs2)C1 ZINC000104807233 441213622 /nfs/dbraw/zinc/21/36/22/441213622.db2.gz COMAZTWCEIVNIR-LBPRGKRZSA-N 0 0 340.493 1.613 10 0 EDAERN CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)c1cccs1 ZINC000047977980 441245629 /nfs/dbraw/zinc/24/56/29/441245629.db2.gz RMNSPSVDFMMRMT-NSHDSACASA-N 0 0 333.479 1.780 10 0 EDAERN Cc1nnc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)n1C1CC1 ZINC000105804230 441274826 /nfs/dbraw/zinc/27/48/26/441274826.db2.gz VDHBZGGUUFJJHJ-OAHLLOKOSA-N 0 0 327.436 1.812 10 0 EDAERN CCCCNC(=O)[C@@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820490 441278856 /nfs/dbraw/zinc/27/88/56/441278856.db2.gz NJKOSRTWLXGTRL-SJLPKXTDSA-N 0 0 333.476 1.642 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CCCO1 ZINC000048267336 441281856 /nfs/dbraw/zinc/28/18/56/441281856.db2.gz UKPASIKPYUQYAE-IACUBPJLSA-N 0 0 338.429 1.772 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)CSc3ccncc3)CC2)cn1 ZINC000105826162 441281990 /nfs/dbraw/zinc/28/19/90/441281990.db2.gz IWMHDHXIVRFCOS-UHFFFAOYSA-N 0 0 345.472 1.642 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000081587481 441293705 /nfs/dbraw/zinc/29/37/05/441293705.db2.gz APDDULPKGSMJOG-CQSZACIVSA-N 0 0 341.371 1.808 10 0 EDAERN O=c1nc(CN2CCCN(c3cccnn3)CC2)[n-]c2ccsc21 ZINC000106071247 441325143 /nfs/dbraw/zinc/32/51/43/441325143.db2.gz PQHDKPWNPFUUGZ-UHFFFAOYSA-N 0 0 342.428 1.487 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000106100698 441326729 /nfs/dbraw/zinc/32/67/29/441326729.db2.gz IBRRTWDUFRYGIU-ZIAGYGMSSA-N 0 0 333.432 1.215 10 0 EDAERN COc1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c(O)c1 ZINC000105868245 441298687 /nfs/dbraw/zinc/29/86/87/441298687.db2.gz XSDIKYZNLIHIPO-UHFFFAOYSA-N 0 0 342.399 1.932 10 0 EDAERN COCCn1cc(C(=O)NC[C@H](C)N2CCOCC2)c2ccccc21 ZINC000062245527 441299176 /nfs/dbraw/zinc/29/91/76/441299176.db2.gz IXPXGSFMMKSSSU-HNNXBMFYSA-N 0 0 345.443 1.738 10 0 EDAERN Cc1cc(C)cc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000105888843 441307761 /nfs/dbraw/zinc/30/77/61/441307761.db2.gz FARCFRDDBMWGPJ-KRWDZBQOSA-N 0 0 328.416 1.839 10 0 EDAERN C[NH+](C)C[C@H]1CN(CC(=O)NCc2cccc(Cl)c2)CCO1 ZINC000105926224 441317694 /nfs/dbraw/zinc/31/76/94/441317694.db2.gz BJZHRQHZBCFWIJ-HNNXBMFYSA-N 0 0 325.840 1.219 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000083754923 441375217 /nfs/dbraw/zinc/37/52/17/441375217.db2.gz PEPDCBJTZZUMGG-GFCCVEGCSA-N 0 0 333.779 1.830 10 0 EDAERN COc1ccc(-n2nnc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c2C)cc1 ZINC000027907636 441417893 /nfs/dbraw/zinc/41/78/93/441417893.db2.gz JMIVKAVNPRBKAW-NHYWBVRUSA-N 0 0 330.388 1.882 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000087252186 441484823 /nfs/dbraw/zinc/48/48/23/441484823.db2.gz HMSBNTMWFKKHSJ-NEPJUHHUSA-N 0 0 337.424 1.562 10 0 EDAERN O=C(Cc1ccc2ccccc2c1)NC[C@H](O)CN1CCCC1=O ZINC000075092728 441492580 /nfs/dbraw/zinc/49/25/80/441492580.db2.gz PNBSFXYEBLFIGE-KRWDZBQOSA-N 0 0 326.396 1.482 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)OCC(F)(F)F ZINC000088200047 441495849 /nfs/dbraw/zinc/49/58/49/441495849.db2.gz DRXINXVRKAHFEJ-QMMMGPOBSA-N 0 0 349.313 1.080 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCOCC1CC1 ZINC000088226087 441498915 /nfs/dbraw/zinc/49/89/15/441498915.db2.gz USCLCZPNTQIQPT-CQSZACIVSA-N 0 0 332.466 1.076 10 0 EDAERN COC(=O)C1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000075249167 441513931 /nfs/dbraw/zinc/51/39/31/441513931.db2.gz BZXHWOHTBCXZJM-NSHDSACASA-N 0 0 344.367 1.083 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000075531189 441531522 /nfs/dbraw/zinc/53/15/22/441531522.db2.gz RRNDKMOZQJJWQC-RISCZKNCSA-N 0 0 328.409 1.751 10 0 EDAERN COc1ccc2c(O)c(C(=O)N[C@H]3CCc4ncnn4C3)cnc2c1 ZINC000112725327 441555990 /nfs/dbraw/zinc/55/59/90/441555990.db2.gz SVSCAWLWEVTVQW-JTQLQIEISA-N 0 0 339.355 1.285 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000032682094 441565170 /nfs/dbraw/zinc/56/51/70/441565170.db2.gz WSQFTEQVZRNRIW-CQSZACIVSA-N 0 0 343.427 1.623 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000076098035 441597090 /nfs/dbraw/zinc/59/70/90/441597090.db2.gz MPNBRKYKPVROFJ-HZMBPMFUSA-N 0 0 327.340 1.995 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000076099429 441598155 /nfs/dbraw/zinc/59/81/55/441598155.db2.gz CCDPWRGGXVYQKS-ABAIWWIYSA-N 0 0 338.367 1.797 10 0 EDAERN Cc1cc(=N)n(NC(=S)n2ccnc2)c(C)c1Br ZINC000113420311 441607472 /nfs/dbraw/zinc/60/74/72/441607472.db2.gz SSKSFADMFGQBFJ-UHFFFAOYSA-N 0 0 326.223 1.920 10 0 EDAERN Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 ZINC000115203469 441717411 /nfs/dbraw/zinc/71/74/11/441717411.db2.gz DIELWNYERORMCU-WMZOPIPTSA-N 0 0 340.427 1.954 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3cccnc3)CCO2)[nH]1 ZINC000136708527 441717674 /nfs/dbraw/zinc/71/76/74/441717674.db2.gz KDEVUIHIQDSFPQ-CYBMUJFWSA-N 0 0 330.392 1.088 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCOCC(C)C ZINC000041999549 441692530 /nfs/dbraw/zinc/69/25/30/441692530.db2.gz AHBASLSETZHGIN-CQSZACIVSA-N 0 0 334.482 1.370 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1[S@](=O)CC)CC2 ZINC000114863197 441693375 /nfs/dbraw/zinc/69/33/75/441693375.db2.gz OHYGATLFERTUNB-YYUOZPCZSA-N 0 0 346.456 1.713 10 0 EDAERN COc1ncc(-c2cnc3ccc(NC4CCOCC4)nn32)cn1 ZINC000115124442 441711080 /nfs/dbraw/zinc/71/10/80/441711080.db2.gz VRWRCLFBELGLGR-UHFFFAOYSA-N 0 0 326.360 1.786 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)n1 ZINC000173497244 441769061 /nfs/dbraw/zinc/76/90/61/441769061.db2.gz FECQPVGWUFTWIV-CHWSQXEVSA-N 0 0 346.460 1.947 10 0 EDAERN CCc1ncc(C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)s1 ZINC000173447170 441753775 /nfs/dbraw/zinc/75/37/75/441753775.db2.gz WMUCUKVEGXEUCL-NSHDSACASA-N 0 0 346.460 1.936 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NC3CCC(C)CC3)CCO2)[nH]1 ZINC000173355384 441722750 /nfs/dbraw/zinc/72/27/50/441722750.db2.gz UMAARSSVWFGWHM-UWNPBFMXSA-N 0 0 335.452 1.570 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3cn(C)nc3C)CC2)n1 ZINC000121522944 441724671 /nfs/dbraw/zinc/72/46/71/441724671.db2.gz AFHOFILKISZCDN-UHFFFAOYSA-N 0 0 330.436 1.548 10 0 EDAERN O=C(NCc1ccc2c(c1)OCCO2)N1CCC[C@H](n2cncn2)C1 ZINC000173372318 441727161 /nfs/dbraw/zinc/72/71/61/441727161.db2.gz YCEAYKKBXVJSSK-AWEZNQCLSA-N 0 0 343.387 1.596 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3c(C)noc3C)CCO2)[nH]1 ZINC000139463556 441817186 /nfs/dbraw/zinc/81/71/86/441817186.db2.gz SKGDPPWELNRGQA-CYBMUJFWSA-N 0 0 348.407 1.298 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc4c(c3)OCO4)C2)cn1 ZINC000116410205 441818210 /nfs/dbraw/zinc/81/82/10/441818210.db2.gz REZUFZDSMDOSPB-CYBMUJFWSA-N 0 0 328.372 1.848 10 0 EDAERN COCCCCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115813547 441780131 /nfs/dbraw/zinc/78/01/31/441780131.db2.gz FYIGGUMARFGJSK-UHFFFAOYSA-N 0 0 337.468 1.454 10 0 EDAERN CCc1ccc(OCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173533266 441782443 /nfs/dbraw/zinc/78/24/43/441782443.db2.gz CAKIMWIVSFFHBM-OAHLLOKOSA-N 0 0 330.388 1.654 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCc1nnc(C2CCC2)n1C)C(C)C ZINC000159047806 441783815 /nfs/dbraw/zinc/78/38/15/441783815.db2.gz ODPYUFYWXQOBKE-INIZCTEOSA-N 0 0 349.479 1.886 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)[nH]1 ZINC000173554624 441789201 /nfs/dbraw/zinc/78/92/01/441789201.db2.gz SMZVPPXFMPCEAR-CQSZACIVSA-N 0 0 338.371 1.524 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CCO2)[nH]1 ZINC000173610851 441803288 /nfs/dbraw/zinc/80/32/88/441803288.db2.gz KUHAHPHELLWLJX-LBPRGKRZSA-N 0 0 345.403 1.728 10 0 EDAERN COC(=O)c1sccc1NC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116312796 441810559 /nfs/dbraw/zinc/81/05/59/441810559.db2.gz LOUUSMXERILSOO-LLVKDONJSA-N 0 0 348.428 1.696 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116314821 441811850 /nfs/dbraw/zinc/81/18/50/441811850.db2.gz JALSFTVWHFOFSL-AWEZNQCLSA-N 0 0 341.415 1.807 10 0 EDAERN CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173937171 441864778 /nfs/dbraw/zinc/86/47/78/441864778.db2.gz GMURHZKWWBPEDG-GOSISDBHSA-N 0 0 349.450 1.581 10 0 EDAERN C[C@@H](NC(=O)CN1CCCS1(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000173945660 441866138 /nfs/dbraw/zinc/86/61/38/441866138.db2.gz UJKASQVANVGELR-CYBMUJFWSA-N 0 0 348.428 1.085 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)N(C)Cc3ccccc3F)CCO2)[nH]1 ZINC000173676989 441822093 /nfs/dbraw/zinc/82/20/93/441822093.db2.gz CUKIOWUZXULGLJ-HNNXBMFYSA-N 0 0 347.394 1.284 10 0 EDAERN COCCC1(CNC(=O)N2CC[C@H](N3CCOCC3)C2)CCCC1 ZINC000122003983 441826895 /nfs/dbraw/zinc/82/68/95/441826895.db2.gz FZGWAUHUFYKYEM-INIZCTEOSA-N 0 0 339.480 1.699 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3CCCO3)c2)n[nH]1 ZINC000077707752 441835320 /nfs/dbraw/zinc/83/53/20/441835320.db2.gz HWFATURMKRMQNS-QMTHXVAHSA-N 0 0 343.387 1.402 10 0 EDAERN CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122185914 441839014 /nfs/dbraw/zinc/83/90/14/441839014.db2.gz LFFMMFIMVQITGN-CQSZACIVSA-N 0 0 340.383 1.946 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000124362256 441921558 /nfs/dbraw/zinc/92/15/58/441921558.db2.gz JVZDGKBGCCJIPE-UHFFFAOYSA-N 0 0 337.387 1.416 10 0 EDAERN C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 ZINC000149738712 441925983 /nfs/dbraw/zinc/92/59/83/441925983.db2.gz XYDNMOZJKOGZLS-NSHDSACASA-N 0 0 345.370 1.879 10 0 investigational EDAERN O=C(Nc1cnn(CC2CC2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000174458137 441926136 /nfs/dbraw/zinc/92/61/36/441926136.db2.gz WKTBRTZIXUPNAX-HNNXBMFYSA-N 0 0 330.392 1.423 10 0 EDAERN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)c3nncn3C)C2)cc1 ZINC000095997253 441975233 /nfs/dbraw/zinc/97/52/33/441975233.db2.gz SIOAIBFCMHVPDP-HNNXBMFYSA-N 0 0 341.415 1.639 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000174512644 441932578 /nfs/dbraw/zinc/93/25/78/441932578.db2.gz BIUCBGRCLIEEOY-BBRMVZONSA-N 0 0 339.480 1.689 10 0 EDAERN O=C(NCCN1CCOCC1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174611618 441944011 /nfs/dbraw/zinc/94/40/11/441944011.db2.gz ZNYYSVPAPIRFSY-QZTJIDSGSA-N 0 0 347.459 1.616 10 0 EDAERN COC(=O)N[C@@H](C(=O)Nc1nc2cc(Cl)ccc2n1C)C(C)C ZINC000078567018 441945901 /nfs/dbraw/zinc/94/59/01/441945901.db2.gz OLNZORHCZRVHMY-GFCCVEGCSA-N 0 0 338.795 2.546 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(-c3nnc(C)o3)c2)CC1 ZINC000174671831 441952296 /nfs/dbraw/zinc/95/22/96/441952296.db2.gz RCOSDPJLQNWDGK-MRXNPFEDSA-N 0 0 344.415 1.574 10 0 EDAERN O=C(CCCNC(=O)c1cccnc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000119861917 441966383 /nfs/dbraw/zinc/96/63/83/441966383.db2.gz XRRYYOULNUEGSP-JKSUJKDBSA-N 0 0 331.416 1.762 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000119863923 441966496 /nfs/dbraw/zinc/96/64/96/441966496.db2.gz CCLMZYFORWVCNT-NSHDSACASA-N 0 0 338.408 1.173 10 0 EDAERN Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000175001551 441993072 /nfs/dbraw/zinc/99/30/72/441993072.db2.gz HEKOESUHQXQTHJ-CVEARBPZSA-N 0 0 335.448 1.782 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125195803 441995642 /nfs/dbraw/zinc/99/56/42/441995642.db2.gz NUYQQDCLXAGSFY-UHFFFAOYSA-N 0 0 327.450 1.721 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)N2CCOCC2)c2cccs2)CCO1 ZINC000175034038 441997307 /nfs/dbraw/zinc/99/73/07/441997307.db2.gz JHBCZXJDNGTMHC-KBPBESRZSA-N 0 0 339.461 1.552 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000175070891 442000899 /nfs/dbraw/zinc/00/08/99/442000899.db2.gz CSMUHZLJOWXWSR-RRFJBIMHSA-N 0 0 334.420 1.496 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCc1c[nH]nc1C ZINC000150964896 441981830 /nfs/dbraw/zinc/98/18/30/441981830.db2.gz UXJGQSMCPGGRPJ-ZDUSSCGKSA-N 0 0 331.424 1.639 10 0 EDAERN COc1cccc(-c2cc(C(=O)N[C@@H]3CCCn4ncnc43)[nH]n2)c1 ZINC000125110510 441985660 /nfs/dbraw/zinc/98/56/60/441985660.db2.gz AWAFILHATAALIO-CYBMUJFWSA-N 0 0 338.371 1.942 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccsc3)CCO2)c1 ZINC000125362185 442014124 /nfs/dbraw/zinc/01/41/24/442014124.db2.gz ORKWOHBAEWEVAN-ZDUSSCGKSA-N 0 0 334.401 1.119 10 0 EDAERN Cc1nccn1CCCN(C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000120193246 442026193 /nfs/dbraw/zinc/02/61/93/442026193.db2.gz IMRAHHUKRHKMKJ-OAHLLOKOSA-N 0 0 330.436 1.469 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000175298888 442036726 /nfs/dbraw/zinc/03/67/26/442036726.db2.gz BTZQBJKBORUXEH-CQSZACIVSA-N 0 0 347.423 1.100 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000079314883 442038214 /nfs/dbraw/zinc/03/82/14/442038214.db2.gz FLUDNYKULAWOAQ-NWDGAFQWSA-N 0 0 331.372 1.619 10 0 EDAERN C[C@](O)(CNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1Cl ZINC000125647508 442038393 /nfs/dbraw/zinc/03/83/93/442038393.db2.gz WYMIRTOOASIXKZ-CJNGLKHVSA-N 0 0 349.822 1.973 10 0 EDAERN C[C@@H](CO)NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000125854946 442055107 /nfs/dbraw/zinc/05/51/07/442055107.db2.gz NBRRBHQRMVQIRV-ZQIUZPCESA-N 0 0 336.432 1.992 10 0 EDAERN CCCC[C@@H](COC)NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175554904 442085388 /nfs/dbraw/zinc/08/53/88/442085388.db2.gz FEZXOYYWROHOBV-QWHCGFSZSA-N 0 0 325.413 1.401 10 0 EDAERN COC[C@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccco1 ZINC000175729764 442112486 /nfs/dbraw/zinc/11/24/86/442112486.db2.gz MGNYGAMYODKXLV-KBPBESRZSA-N 0 0 334.376 1.274 10 0 EDAERN C[C@H](CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)Oc1ccccc1 ZINC000175784353 442121428 /nfs/dbraw/zinc/12/14/28/442121428.db2.gz ZJFLROKROHHLFY-JZXOWHBKSA-N 0 0 347.459 1.816 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1cccc(C(N)=O)c1 ZINC000175796115 442125084 /nfs/dbraw/zinc/12/50/84/442125084.db2.gz MQCZZSVIARTCGL-INIZCTEOSA-N 0 0 341.415 1.665 10 0 EDAERN Cc1cc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CCCO3)CC2)nc(C)n1 ZINC000175858255 442136425 /nfs/dbraw/zinc/13/64/25/442136425.db2.gz BQYBBBUBAWHAFR-CJNGLKHVSA-N 0 0 347.463 1.929 10 0 EDAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126834950 442146707 /nfs/dbraw/zinc/14/67/07/442146707.db2.gz VLRMHWJWCVMCFF-STQMWFEESA-N 0 0 337.424 1.430 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@H](c3nccs3)C2)cn1 ZINC000120577945 442098452 /nfs/dbraw/zinc/09/84/52/442098452.db2.gz NNDHJFNCSFMJPZ-LBPRGKRZSA-N 0 0 332.385 1.385 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000162502455 442098620 /nfs/dbraw/zinc/09/86/20/442098620.db2.gz VKMZJGPOLPKQBC-CQSZACIVSA-N 0 0 327.432 1.729 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1OC(F)F ZINC000121028289 442167679 /nfs/dbraw/zinc/16/76/79/442167679.db2.gz NRJUDYAURPUZOD-NSHDSACASA-N 0 0 328.315 1.518 10 0 EDAERN Cc1c(NC(=O)C(=O)N2CCC[C@H]2CO)cnn1-c1ccccc1 ZINC000121032274 442168216 /nfs/dbraw/zinc/16/82/16/442168216.db2.gz KKQUSWNRLCCWHM-AWEZNQCLSA-N 0 0 328.372 1.103 10 0 EDAERN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000176099474 442176631 /nfs/dbraw/zinc/17/66/31/442176631.db2.gz IIWXPAORSYILHN-CQSZACIVSA-N 0 0 343.387 1.655 10 0 EDAERN O=C(Nc1ccnn1-c1cccc(Cl)c1)C(=O)N1CCC[C@@H]1CO ZINC000121193060 442189905 /nfs/dbraw/zinc/18/99/05/442189905.db2.gz AFMAQJXGOLAQDG-CYBMUJFWSA-N 0 0 348.790 1.448 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cn(C)nc3C(C)(C)C)CCO2)c1 ZINC000127397947 442198897 /nfs/dbraw/zinc/19/88/97/442198897.db2.gz MGEJDGIXFQLLJB-CQSZACIVSA-N 0 0 345.447 1.764 10 0 EDAERN CN(C(=O)NCCCOCC1CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152003534 442152624 /nfs/dbraw/zinc/15/26/24/442152624.db2.gz QPQAJJFZLDULCT-MRXNPFEDSA-N 0 0 347.463 1.904 10 0 EDAERN O=C(CCC1CCCC1)NCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126936196 442155288 /nfs/dbraw/zinc/15/52/88/442155288.db2.gz LKDCIIJKPXCNSU-MRXNPFEDSA-N 0 0 347.463 1.603 10 0 EDAERN COC(=O)C[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)c1ccccc1 ZINC000170731476 442252687 /nfs/dbraw/zinc/25/26/87/442252687.db2.gz DTGMRSCBAIGYHO-CYBMUJFWSA-N 0 0 337.401 1.311 10 0 EDAERN O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1CCCn2ncnc21 ZINC000176448058 442223816 /nfs/dbraw/zinc/22/38/16/442223816.db2.gz VVHKOMSZCSHYDH-CQSZACIVSA-N 0 0 337.387 1.798 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1 ZINC000152566169 442226713 /nfs/dbraw/zinc/22/67/13/442226713.db2.gz DCHQYULHQHTCEQ-CYBMUJFWSA-N 0 0 346.406 1.745 10 0 EDAERN CN(C(=O)Cc1ccccc1O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000127823757 442227369 /nfs/dbraw/zinc/22/73/69/442227369.db2.gz QJNVBWFKPGGKDM-OAHLLOKOSA-N 0 0 326.400 1.852 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Cn3cnc(-c4ccccc4)n3)C2)cn1 ZINC000152648181 442234248 /nfs/dbraw/zinc/23/42/48/442234248.db2.gz NJYYXCAFOFSGSL-HNNXBMFYSA-N 0 0 336.399 1.695 10 0 EDAERN CCc1ccc(NC(=O)C[S@@](=O)Cc2nnnn2C(C)C)cc1 ZINC000176574745 442236298 /nfs/dbraw/zinc/23/62/98/442236298.db2.gz DWZSDTRWSXWGKV-QHCPKHFHSA-N 0 0 335.433 1.704 10 0 EDAERN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@H]1c1ccco1 ZINC000176601624 442239015 /nfs/dbraw/zinc/23/90/15/442239015.db2.gz IKESPQYBXLEBQC-DOMZBBRYSA-N 0 0 347.396 1.673 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H](C)COCc2ccccc2)cnn1C ZINC000176647633 442243747 /nfs/dbraw/zinc/24/37/47/442243747.db2.gz WTAJITMJZGUNNM-GFCCVEGCSA-N 0 0 330.388 1.389 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCCOC[C@@H]2CCOC2)cn1 ZINC000128388988 442263206 /nfs/dbraw/zinc/26/32/06/442263206.db2.gz BJXIHOORTRNWNF-GOEBONIOSA-N 0 0 336.436 1.710 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C1 ZINC000176850312 442263836 /nfs/dbraw/zinc/26/38/36/442263836.db2.gz CUSMHIZIUFSNBL-MRVPVSSYSA-N 0 0 347.749 1.004 10 0 EDAERN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N[C@H]1C[C@H]1C ZINC000170828069 442270278 /nfs/dbraw/zinc/27/02/78/442270278.db2.gz JXLSIVOCIVGRHX-OCCSQVGLSA-N 0 0 346.431 1.613 10 0 EDAERN O=C(CCN1C(=O)CCC1=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128535984 442272795 /nfs/dbraw/zinc/27/27/95/442272795.db2.gz FGQNTOFBZVIXCW-LBPRGKRZSA-N 0 0 342.317 1.815 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2cc(F)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177275054 442323707 /nfs/dbraw/zinc/32/37/07/442323707.db2.gz HJRHZXZPXDMMJB-LRDDRELGSA-N 0 0 339.386 1.556 10 0 EDAERN C[C@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@@H]1N1CCOCC1 ZINC000177273806 442323788 /nfs/dbraw/zinc/32/37/88/442323788.db2.gz YVCBCCHFJMVUOT-HOCLYGCPSA-N 0 0 328.416 1.889 10 0 EDAERN CN(CCOc1ccccc1F)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177356658 442331932 /nfs/dbraw/zinc/33/19/32/442331932.db2.gz NNPPSFQVWRYFLB-CYBMUJFWSA-N 0 0 333.367 1.973 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(N(C)C)nc3)C2)no1 ZINC000171237945 442332130 /nfs/dbraw/zinc/33/21/30/442332130.db2.gz ZGYJGEDRAWXYHC-ZDUSSCGKSA-N 0 0 329.404 1.934 10 0 EDAERN COc1ccc(CCNC(=O)N[C@H]2CCCn3ncnc32)cc1F ZINC000177362008 442332539 /nfs/dbraw/zinc/33/25/39/442332539.db2.gz IBYOJOCLZSORFZ-ZDUSSCGKSA-N 0 0 333.367 1.803 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000129840653 442333143 /nfs/dbraw/zinc/33/31/43/442333143.db2.gz IPDOFSFJESZERH-NSHDSACASA-N 0 0 336.440 1.137 10 0 EDAERN Cc1ccc(NCCCNC(=O)N[C@H]2CCCn3ncnc32)nc1 ZINC000177373005 442333460 /nfs/dbraw/zinc/33/34/60/442333460.db2.gz VGVBFJUAVFDYPW-ZDUSSCGKSA-N 0 0 329.408 1.618 10 0 EDAERN Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000171286027 442338192 /nfs/dbraw/zinc/33/81/92/442338192.db2.gz VYQIBITYVCIBON-OAHLLOKOSA-N 0 0 327.428 1.841 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)N[C@@H]1CCc3ncnn3C1)CO2 ZINC000154459980 442340913 /nfs/dbraw/zinc/34/09/13/442340913.db2.gz DTKHPXBPFPZQCL-CYBMUJFWSA-N 0 0 326.356 1.194 10 0 EDAERN O=C(CSC[C@H](O)CO)N(Cc1ccco1)CC(F)(F)F ZINC000177432622 442341381 /nfs/dbraw/zinc/34/13/81/442341381.db2.gz VDFXKFDZJRUTIV-SECBINFHSA-N 0 0 327.324 1.257 10 0 EDAERN O=C(Nc1cccc(F)c1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177520961 442352655 /nfs/dbraw/zinc/35/26/55/442352655.db2.gz YLGUPAFRURMEBZ-GFCCVEGCSA-N 0 0 335.360 1.821 10 0 EDAERN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177635980 442365640 /nfs/dbraw/zinc/36/56/40/442365640.db2.gz CLIABVHNMHCCNK-SECBINFHSA-N 0 0 337.742 1.140 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2C)C1 ZINC000177659927 442367839 /nfs/dbraw/zinc/36/78/39/442367839.db2.gz NJDODXTUNBOKPN-ZDUSSCGKSA-N 0 0 344.419 1.290 10 0 EDAERN O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)C[C@@H](O)CO ZINC000177674247 442368589 /nfs/dbraw/zinc/36/85/89/442368589.db2.gz ACKRXSXDMFYDSG-LBPRGKRZSA-N 0 0 331.777 1.263 10 0 EDAERN Cc1cccc(S(=O)(=O)CCCN2CCO[C@H](CN(C)C)C2)c1 ZINC000155203053 442381688 /nfs/dbraw/zinc/38/16/88/442381688.db2.gz XUCPGYHDGFHLHG-MRXNPFEDSA-N 0 0 340.489 1.421 10 0 EDAERN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177779129 442383512 /nfs/dbraw/zinc/38/35/12/442383512.db2.gz YKFHRYLNQSOVSU-CQSZACIVSA-N 0 0 333.413 1.591 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCCn2cccn2)[C@H]1c1ccccc1 ZINC000171852788 442384927 /nfs/dbraw/zinc/38/49/27/442384927.db2.gz YCBMUDXOLOJXKP-NVXWUHKLSA-N 0 0 326.400 1.609 10 0 EDAERN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000171999386 442397254 /nfs/dbraw/zinc/39/72/54/442397254.db2.gz WYSPHZQOKPNBPZ-JQWIXIFHSA-N 0 0 340.383 1.590 10 0 EDAERN O=C(Cc1csc(-c2cccnc2)n1)N[C@@H]1CCCn2ncnc21 ZINC000177602023 442361050 /nfs/dbraw/zinc/36/10/50/442361050.db2.gz OOEVOKIMCKJTLQ-CYBMUJFWSA-N 0 0 340.412 1.990 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000177603872 442361666 /nfs/dbraw/zinc/36/16/66/442361666.db2.gz GOSLVXUWNUVCTL-GXTWGEPZSA-N 0 0 329.335 1.562 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)C(C)C ZINC000178432516 442433238 /nfs/dbraw/zinc/43/32/38/442433238.db2.gz BTQZEOCRQNGFQP-XHDPSFHLSA-N 0 0 334.420 1.776 10 0 EDAERN CCCCOc1ncccc1CNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178442415 442434226 /nfs/dbraw/zinc/43/42/26/442434226.db2.gz UESIMIMETMSOGV-CQSZACIVSA-N 0 0 336.436 1.830 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000172286553 442435537 /nfs/dbraw/zinc/43/55/37/442435537.db2.gz WYZMWZOFHYKVAL-AWEZNQCLSA-N 0 0 341.415 1.780 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000172321656 442444049 /nfs/dbraw/zinc/44/40/49/442444049.db2.gz BMJKUPSUQHYANK-GFCCVEGCSA-N 0 0 338.371 1.045 10 0 EDAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000178571320 442444345 /nfs/dbraw/zinc/44/43/45/442444345.db2.gz IUKZNIREFZFHRI-RYUDHWBXSA-N 0 0 336.440 1.279 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCN1CCc2sccc2C1 ZINC000156521208 442488755 /nfs/dbraw/zinc/48/87/55/442488755.db2.gz VGCIWEASLRKKDR-CYBMUJFWSA-N 0 0 336.461 1.026 10 0 EDAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000134679935 442510202 /nfs/dbraw/zinc/51/02/02/442510202.db2.gz XAFQGJCDUDMOIS-UGSOOPFHSA-N 0 0 347.415 1.953 10 0 EDAERN COc1cccc([C@H](O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000179778841 442502659 /nfs/dbraw/zinc/50/26/59/442502659.db2.gz HHHZFFZOXFUMOU-BBRMVZONSA-N 0 0 344.415 1.575 10 0 EDAERN CCN1CN(C[C@H](O)COc2cccc(Br)c2)CC1=O ZINC000191582575 442470302 /nfs/dbraw/zinc/47/03/02/442470302.db2.gz YUERBTOONOIMQN-LBPRGKRZSA-N 0 0 343.221 1.310 10 0 EDAERN COC(=O)N1CC(NC(=O)N2CCC[C@H](c3nc(C)cs3)C2)C1 ZINC000178751193 442474650 /nfs/dbraw/zinc/47/46/50/442474650.db2.gz PFPXKLGQCJZBPK-NSHDSACASA-N 0 0 338.433 1.791 10 0 EDAERN Cn1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)C2=O)cn1 ZINC000156444506 442481829 /nfs/dbraw/zinc/48/18/29/442481829.db2.gz DKOVRIVIBHDLCH-OAGGEKHMSA-N 0 0 330.432 1.858 10 0 EDAERN COc1cc(C(=O)N2CCN(C(=O)C[C@H](O)C(C)C)CC2)ccc1C ZINC000156475553 442484713 /nfs/dbraw/zinc/48/47/13/442484713.db2.gz GIKZZRKMDFCJLL-INIZCTEOSA-N 0 0 348.443 1.695 10 0 EDAERN C[C@H](NC(=O)[C@H](C)[S@@](=O)CCCC(=O)N(C)C)c1ccccc1 ZINC000156952528 442536451 /nfs/dbraw/zinc/53/64/51/442536451.db2.gz PGLNFKXAUSTEBJ-ZDODERHWSA-N 0 0 338.473 1.869 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000191902599 442537601 /nfs/dbraw/zinc/53/76/01/442537601.db2.gz NDLROCJIPMXTDF-CQSZACIVSA-N 0 0 340.464 1.678 10 0 EDAERN O=C(C[C@H]1OCCc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172764958 442537908 /nfs/dbraw/zinc/53/79/08/442537908.db2.gz UGSNARZOGYJTKY-FUHWJXTLSA-N 0 0 330.428 1.624 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccncc3C)C2=O)n(C)n1 ZINC000179862497 442513530 /nfs/dbraw/zinc/51/35/30/442513530.db2.gz XKSMRDUMLPBBIG-AWEZNQCLSA-N 0 0 342.403 1.749 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000191994339 442557974 /nfs/dbraw/zinc/55/79/74/442557974.db2.gz SUXCUDKVSFIFEK-OAHLLOKOSA-N 0 0 339.480 1.648 10 0 EDAERN O=C(c1cncn1-c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748148 442532182 /nfs/dbraw/zinc/53/21/82/442532182.db2.gz BIGLGIKCBIIAMG-MRXNPFEDSA-N 0 0 344.390 1.558 10 0 EDAERN O=C(C[C@H]1C(=O)Nc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749804 442532821 /nfs/dbraw/zinc/53/28/21/442532821.db2.gz KGTCYUKAYDSGRP-UKRRQHHQSA-N 0 0 329.400 1.046 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135247700 442572266 /nfs/dbraw/zinc/57/22/66/442572266.db2.gz RLDOPJNLZVZZEX-LLVKDONJSA-N 0 0 335.433 1.414 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000180276671 442572583 /nfs/dbraw/zinc/57/25/83/442572583.db2.gz ODSBSAWGFYMQHA-IJDCCNJMSA-N 0 0 344.411 1.734 10 0 EDAERN CCC[C@H](C(=O)Nc1cn(C)cc(Br)c1=O)N(C)C ZINC000180287414 442573948 /nfs/dbraw/zinc/57/39/48/442573948.db2.gz YMCBJHCRHGSPLT-LLVKDONJSA-N 0 0 330.226 1.817 10 0 EDAERN Cc1sc(=O)n(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)c1C ZINC000135298099 442577200 /nfs/dbraw/zinc/57/72/00/442577200.db2.gz RSDRJSLJBJUQBR-ZDUSSCGKSA-N 0 0 347.444 1.102 10 0 EDAERN CN(C)[C@H](C(=O)N[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000135297688 442577313 /nfs/dbraw/zinc/57/73/13/442577313.db2.gz LEPNZQBCFQFMFN-AEFFLSMTSA-N 0 0 339.443 1.865 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(F)cc(OC)c1)CC2 ZINC000180449577 442603217 /nfs/dbraw/zinc/60/32/17/442603217.db2.gz MPPNDTZHEHSCOC-CYBMUJFWSA-N 0 0 347.394 1.802 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000179245527 442604729 /nfs/dbraw/zinc/60/47/29/442604729.db2.gz FIFIIXOPTTYPJF-ZDUSSCGKSA-N 0 0 325.796 1.639 10 0 EDAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cn(Cc2cccc(F)c2)nn1 ZINC000179251415 442606018 /nfs/dbraw/zinc/60/60/18/442606018.db2.gz HFJDZDDFAMUBRM-DZGCQCFKSA-N 0 0 332.379 1.746 10 0 EDAERN Cc1ccccc1CC(=O)N1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000157720528 442607112 /nfs/dbraw/zinc/60/71/12/442607112.db2.gz OHXOLWWTBAXKOR-GOSISDBHSA-N 0 0 348.487 1.858 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)N(C)CC3)C[C@@H]1N1CCOCC1 ZINC000180261760 442569214 /nfs/dbraw/zinc/56/92/14/442569214.db2.gz ZFVGDPFUDVPPGX-KDOFPFPSSA-N 0 0 344.459 1.863 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN([C@H](C(=O)OC)c2cccnc2)C1 ZINC000157996991 442635929 /nfs/dbraw/zinc/63/59/29/442635929.db2.gz CBZAZMBYJGWRTC-CABCVRRESA-N 0 0 329.404 1.787 10 0 EDAERN Cc1ccc(S(=O)(=O)CCCN2CCO[C@H](CN(C)C)C2)cc1 ZINC000180622921 442636871 /nfs/dbraw/zinc/63/68/71/442636871.db2.gz PJVUOAZYBUZHDN-MRXNPFEDSA-N 0 0 340.489 1.421 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)C12CCOCC2 ZINC000187164556 442658026 /nfs/dbraw/zinc/65/80/26/442658026.db2.gz PJAKTXDMGQMBAA-KBPBESRZSA-N 0 0 345.403 1.067 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180645584 442641549 /nfs/dbraw/zinc/64/15/49/442641549.db2.gz GGEIRPOSFZBYJJ-NHYWBVRUSA-N 0 0 340.383 1.782 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(NC(C)=O)ccc1C)CC2 ZINC000187020610 442645619 /nfs/dbraw/zinc/64/56/19/442645619.db2.gz ATQPKECSJOTLAU-CQSZACIVSA-N 0 0 341.415 1.852 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C12CCOCC2 ZINC000187045684 442648966 /nfs/dbraw/zinc/64/89/66/442648966.db2.gz ATULQSOFUCKNFW-KGLIPLIRSA-N 0 0 349.431 1.101 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCS(=O)CC2)C1 ZINC000173136546 442609915 /nfs/dbraw/zinc/60/99/15/442609915.db2.gz FNWGZRRYQVCQDR-NEPJUHHUSA-N 0 0 330.450 1.271 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000186785328 442610747 /nfs/dbraw/zinc/61/07/47/442610747.db2.gz IAEHVEYJEOQSAF-UHFFFAOYSA-N 0 0 325.771 1.899 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)Cc3cc[nH]n3)CC2)cn1 ZINC000173156401 442612779 /nfs/dbraw/zinc/61/27/79/442612779.db2.gz PGFFYQFNXBHWDM-UHFFFAOYSA-N 0 0 330.436 1.293 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3cnn(C)c3C)CCO2)n1 ZINC000179345959 442627075 /nfs/dbraw/zinc/62/70/75/442627075.db2.gz ARHKOVDFPRELAR-INIZCTEOSA-N 0 0 346.435 1.152 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCc3cnn(C)c3C)C2)no1 ZINC000179355826 442629882 /nfs/dbraw/zinc/62/98/82/442629882.db2.gz AZXLXAVOUSEORD-CYBMUJFWSA-N 0 0 332.408 1.584 10 0 EDAERN c1ncn(C[C@@H]2CCCN(Cc3nnc(C4CC4)n3C3CC3)C2)n1 ZINC000181341785 442691828 /nfs/dbraw/zinc/69/18/28/442691828.db2.gz XQJJQBXWPQXDFS-CYBMUJFWSA-N 0 0 327.436 1.994 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000181464576 442698420 /nfs/dbraw/zinc/69/84/20/442698420.db2.gz KZVBVAJYDPOYGJ-GFCCVEGCSA-N 0 0 336.436 1.812 10 0 EDAERN CN(C(=O)c1n[nH]c2c1CCCC2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136361612 442660880 /nfs/dbraw/zinc/66/08/80/442660880.db2.gz CANDGMFTRYDCHT-CYBMUJFWSA-N 0 0 340.431 1.820 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](C)c3cccnc3)CCO2)[nH]1 ZINC000136420484 442663258 /nfs/dbraw/zinc/66/32/58/442663258.db2.gz JQNINLMHNWIVIH-AAEUAGOBSA-N 0 0 330.392 1.606 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)ccc1Cl ZINC000192586156 442666063 /nfs/dbraw/zinc/66/60/63/442666063.db2.gz OSQNUVCDOMLNCH-BXKDBHETSA-N 0 0 326.780 1.971 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2CO)c(O)c1 ZINC000181969326 442724109 /nfs/dbraw/zinc/72/41/09/442724109.db2.gz YNGBUBIRJBRIPA-DZGCQCFKSA-N 0 0 334.416 1.488 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(OCC(F)F)ccn2)C1)C1CCC1 ZINC000188493597 442756490 /nfs/dbraw/zinc/75/64/90/442756490.db2.gz IJTNBULAHFOAGS-UHFFFAOYSA-N 0 0 339.342 1.466 10 0 EDAERN C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1C(=O)OC(C)(C)C ZINC000188320448 442738640 /nfs/dbraw/zinc/73/86/40/442738640.db2.gz ZRDJKPSKDQFTJK-OLZOCXBDSA-N 0 0 337.424 1.572 10 0 EDAERN COc1cc(NC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)ncn1 ZINC000182186698 442743787 /nfs/dbraw/zinc/74/37/87/442743787.db2.gz HIJPLXSITIOXDJ-LLVKDONJSA-N 0 0 332.364 1.663 10 0 EDAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000193091205 442711986 /nfs/dbraw/zinc/71/19/86/442711986.db2.gz UIQGGPCKDTWCEW-MNOVXSKESA-N 0 0 337.445 1.628 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000193110153 442714477 /nfs/dbraw/zinc/71/44/77/442714477.db2.gz NNDGWZJVORMQPX-IUODEOHRSA-N 0 0 348.790 1.446 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC[C@H]1CCCCO1)CC2 ZINC000181746766 442714605 /nfs/dbraw/zinc/71/46/05/442714605.db2.gz YNCGQXKIMQGDGW-ZIAGYGMSSA-N 0 0 335.452 1.975 10 0 EDAERN CC(=O)Nc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1C ZINC000188571178 442764577 /nfs/dbraw/zinc/76/45/77/442764577.db2.gz OCFDVOQUFWAVJI-OAHLLOKOSA-N 0 0 331.416 1.500 10 0 EDAERN CN1CCN(C(=O)NC[C@H]2CN(C)CCO2)[C@H](c2ccccc2)C1 ZINC000246322707 442771809 /nfs/dbraw/zinc/77/18/09/442771809.db2.gz ADFLMFSUNKTHJB-IRXDYDNUSA-N 0 0 332.448 1.015 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N(Cc2c(F)cccc2F)C2CC2)C1 ZINC000188633582 442775582 /nfs/dbraw/zinc/77/55/82/442775582.db2.gz ASAFOGRUGVRCEI-ZDUSSCGKSA-N 0 0 339.386 1.969 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)C(C)(C)OC(C)=O)CC2)n1 ZINC000188864938 442830499 /nfs/dbraw/zinc/83/04/99/442830499.db2.gz HEGYMECVDPERRG-NSHDSACASA-N 0 0 338.408 1.179 10 0 EDAERN COCCc1ccc(OCCCC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188871748 442832523 /nfs/dbraw/zinc/83/25/23/442832523.db2.gz PIRCAQCDECLDFK-HNNXBMFYSA-N 0 0 348.443 1.772 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000182840919 442834355 /nfs/dbraw/zinc/83/43/55/442834355.db2.gz STUCLYJLXPALEX-GUYGQTKVSA-N 0 0 332.466 1.563 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000246832925 442816342 /nfs/dbraw/zinc/81/63/42/442816342.db2.gz OGNGZKMOXQXVOP-NEPJUHHUSA-N 0 0 327.450 1.722 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182737366 442816420 /nfs/dbraw/zinc/81/64/20/442816420.db2.gz BOYOYDDSWFTPLP-DGCLKSJQSA-N 0 0 326.824 1.963 10 0 EDAERN COCCCCS(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188879558 442834410 /nfs/dbraw/zinc/83/44/10/442834410.db2.gz GTVBPFWSYHIPRW-KBPBESRZSA-N 0 0 333.475 1.512 10 0 EDAERN CC(C)Cn1ncnc1CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000182749369 442818482 /nfs/dbraw/zinc/81/84/82/442818482.db2.gz NRESJOWGZRYARO-HNNXBMFYSA-N 0 0 329.452 1.825 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000188893089 442836828 /nfs/dbraw/zinc/83/68/28/442836828.db2.gz DTMGVZSTNRGNEU-SNVBAGLBSA-N 0 0 334.401 1.468 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1cc(Br)ccc1F ZINC000188897007 442838068 /nfs/dbraw/zinc/83/80/68/442838068.db2.gz OKMRANNQFJPOLX-SECBINFHSA-N 0 0 343.196 1.868 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194093916 442844646 /nfs/dbraw/zinc/84/46/46/442844646.db2.gz LDIOBQVNIDQODL-ZDUSSCGKSA-N 0 0 340.387 1.762 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCc3cscn3)CCO2)n1 ZINC000159079240 318416461 /nfs/dbraw/zinc/41/64/61/318416461.db2.gz AASAFIZVMWSNTQ-OAHLLOKOSA-N 0 0 349.460 1.610 10 0 EDAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000183108100 442881677 /nfs/dbraw/zinc/88/16/77/442881677.db2.gz YHBJTNXWWANGIU-UONOGXRCSA-N 0 0 348.447 1.684 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CC[C@H](Oc2cccnc2)C1 ZINC000183127951 442885235 /nfs/dbraw/zinc/88/52/35/442885235.db2.gz FHAFAKMTXNZTCC-INIZCTEOSA-N 0 0 337.379 1.799 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(c2nc(C)nc3c2cnn3C)C1 ZINC000189142628 442885727 /nfs/dbraw/zinc/88/57/27/442885727.db2.gz INOLBUSKCNWJHI-CMPLNLGQSA-N 0 0 329.364 1.330 10 0 EDAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000189209748 442897646 /nfs/dbraw/zinc/89/76/46/442897646.db2.gz WUVKOMCWMDOGKB-CQSZACIVSA-N 0 0 347.463 1.456 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000194157546 442853830 /nfs/dbraw/zinc/85/38/30/442853830.db2.gz GPGOHCIOYVPMCO-OAHLLOKOSA-N 0 0 332.404 1.184 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C[C@H](O)COc1cccc2ccccc21 ZINC000189280676 442911416 /nfs/dbraw/zinc/91/14/16/442911416.db2.gz PEJXBXBHTAZFNJ-ZBFHGGJFSA-N 0 0 328.412 1.790 10 0 EDAERN CC(=O)CCc1ccc(OCCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194599851 442920887 /nfs/dbraw/zinc/92/08/87/442920887.db2.gz SISCYMITBPZIIA-SFHVURJKSA-N 0 0 348.443 1.424 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCOC[C@@H]2C)ncn1 ZINC000248735945 442921479 /nfs/dbraw/zinc/92/14/79/442921479.db2.gz BRKMVMWWYIOQJI-MJBXVCDLSA-N 0 0 333.436 1.276 10 0 EDAERN Cc1nnc(-c2cccc(C(=O)N3CC(NC(=O)C4CCC4)C3)c2)o1 ZINC000188542329 318560706 /nfs/dbraw/zinc/56/07/06/318560706.db2.gz GSLLDJVJJCBZIQ-UHFFFAOYSA-N 0 0 340.383 1.786 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)nc2)n1 ZINC000183744226 442958524 /nfs/dbraw/zinc/95/85/24/442958524.db2.gz DKPWNRVLKDUUOI-SNVBAGLBSA-N 0 0 344.780 1.189 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2C)n1 ZINC000183745787 442959296 /nfs/dbraw/zinc/95/92/96/442959296.db2.gz VLTPJUVGVMVDOX-GFCCVEGCSA-N 0 0 341.364 1.588 10 0 EDAERN COc1cc(CCC(=O)N2CC(NC(=O)C3CC3)C2)cc(OC)c1 ZINC000189475842 442963104 /nfs/dbraw/zinc/96/31/04/442963104.db2.gz FTSKJZUXYIXJHW-UHFFFAOYSA-N 0 0 332.400 1.373 10 0 EDAERN O=C(NC1CN(C(=O)c2ccn(-c3ccccc3F)n2)C1)C1CC1 ZINC000189479983 442964533 /nfs/dbraw/zinc/96/45/33/442964533.db2.gz BSVOBCXQICYEKQ-UHFFFAOYSA-N 0 0 328.347 1.362 10 0 EDAERN COc1ccc(-c2nnn(Cc3nnc(C(C)C)n3C)n2)cc1OC ZINC000194652686 318592282 /nfs/dbraw/zinc/59/22/82/318592282.db2.gz JQSGDGRWMCPODN-UHFFFAOYSA-N 0 0 343.391 1.658 10 0 EDAERN CCN(Cc1nnc(C2CC2)n1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000195014690 442976273 /nfs/dbraw/zinc/97/62/73/442976273.db2.gz QKDOGEYXKSRZND-UHFFFAOYSA-N 0 0 338.415 1.951 10 0 EDAERN COCCN1CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C[C@@H]1C ZINC000189659583 442989922 /nfs/dbraw/zinc/98/99/22/442989922.db2.gz VFDKCDPTWGZSDW-UONOGXRCSA-N 0 0 327.469 1.106 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccn([C@@H](C)COC)n2)C[C@H]1C ZINC000189799168 443013725 /nfs/dbraw/zinc/01/37/25/443013725.db2.gz RCACXEQRQTUECW-KGLIPLIRSA-N 0 0 339.440 1.275 10 0 EDAERN CCCCNC(=O)NC(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195517995 443026806 /nfs/dbraw/zinc/02/68/06/443026806.db2.gz XFGTYPOVJLVPPW-ZDUSSCGKSA-N 0 0 337.424 1.258 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1cccc3c1OCO3)CC2 ZINC000184541152 443035986 /nfs/dbraw/zinc/03/59/86/443035986.db2.gz YTQFEZDBGPECEC-CYBMUJFWSA-N 0 0 342.399 1.633 10 0 EDAERN COCCN1CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000255246937 443091361 /nfs/dbraw/zinc/09/13/61/443091361.db2.gz JRUKVUIQXQKSLG-SDQPKGBYSA-N 0 0 332.400 1.608 10 0 EDAERN COc1cc(OC)cc(C(=O)Nc2cnc(N3CCOCC3)nc2)c1 ZINC000224249473 443097974 /nfs/dbraw/zinc/09/79/74/443097974.db2.gz VPXGZCCBCSEVJK-UHFFFAOYSA-N 0 0 344.371 1.583 10 0 EDAERN Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c(C)n1CC(F)(F)F ZINC000184736294 443070163 /nfs/dbraw/zinc/07/01/63/443070163.db2.gz LLGGCHWOXWXDQN-NEPJUHHUSA-N 0 0 334.338 1.277 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)/C=C\c3cccnc3)C2=O)n(C)n1 ZINC000254970293 443079844 /nfs/dbraw/zinc/07/98/44/443079844.db2.gz CHZPEGMHXQRBOQ-LZNQSLFOSA-N 0 0 339.399 1.449 10 0 EDAERN O=C(OCc1ccccc1Br)O[C@H]1CC(=O)NC1=O ZINC000231457280 443135745 /nfs/dbraw/zinc/13/57/45/443135745.db2.gz ITJZGFNTDCMKMW-VIFPVBQESA-N 0 0 328.118 1.517 10 0 EDAERN Cc1cccc(F)c1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000184943776 443104225 /nfs/dbraw/zinc/10/42/25/443104225.db2.gz DNLJWXKYKDMRRV-CYBMUJFWSA-N 0 0 328.409 1.229 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2cc(F)cc(F)c2)CC1 ZINC000184998012 443114280 /nfs/dbraw/zinc/11/42/80/443114280.db2.gz WWAIHSDUCONOHK-INIZCTEOSA-N 0 0 341.402 1.605 10 0 EDAERN CC(=O)NC1CN(C(=O)CSc2nncn2-c2ccc(C)cc2)C1 ZINC000190531852 443129147 /nfs/dbraw/zinc/12/91/47/443129147.db2.gz RCFLCWVWYIGSHF-UHFFFAOYSA-N 0 0 345.428 1.015 10 0 EDAERN CCOc1cc(Cl)ccc1C(=O)N1CC(NC(=O)COC)C1 ZINC000185223360 443165174 /nfs/dbraw/zinc/16/51/74/443165174.db2.gz PFHHIDBMAUSGSY-UHFFFAOYSA-N 0 0 326.780 1.326 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190747354 443175564 /nfs/dbraw/zinc/17/55/64/443175564.db2.gz ZHSYWUYAANAFOK-CYBMUJFWSA-N 0 0 328.372 1.521 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190745955 443175654 /nfs/dbraw/zinc/17/56/54/443175654.db2.gz JFRKXKOLHXCVSE-GOEBONIOSA-N 0 0 338.452 1.208 10 0 EDAERN CCCCOCCNC(=O)CN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190813790 443188863 /nfs/dbraw/zinc/18/88/63/443188863.db2.gz YTNLAAUYAYGSHR-INIZCTEOSA-N 0 0 338.452 1.209 10 0 EDAERN COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)C(C)C)s1 ZINC000190631662 443153150 /nfs/dbraw/zinc/15/31/50/443153150.db2.gz WKDPTZLYWRCSFZ-SNVBAGLBSA-N 0 0 334.463 1.969 10 0 EDAERN COCC(=O)NC1CN(C(=O)NC[C@H](C)c2ccc(F)cc2F)C1 ZINC000185561708 443219555 /nfs/dbraw/zinc/21/95/55/443219555.db2.gz IKGXHRVADAUKIE-JTQLQIEISA-N 0 0 341.358 1.225 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C(N)=O)s1 ZINC000245387123 443221624 /nfs/dbraw/zinc/22/16/24/443221624.db2.gz UMFCRLBQBBNZON-AXFHLTTASA-N 0 0 336.413 1.793 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)[C@@H](CO)CC(C)C ZINC000185667500 443235322 /nfs/dbraw/zinc/23/53/22/443235322.db2.gz XOCXQFIXLOATLA-CHWSQXEVSA-N 0 0 339.440 1.308 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N2CCN(CC)CC2)C12CCOCC2 ZINC000185690746 443239449 /nfs/dbraw/zinc/23/94/49/443239449.db2.gz PYHPOZBWUVHYIW-LSDHHAIUSA-N 0 0 325.453 1.308 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000245655444 443241961 /nfs/dbraw/zinc/24/19/61/443241961.db2.gz OCEWHENWVYJMFH-CPUCHLNUSA-N 0 0 347.390 1.082 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2ccc(C)s2)C1 ZINC000185477113 443205965 /nfs/dbraw/zinc/20/59/65/443205965.db2.gz IKXPRFHGGWVBKL-JTQLQIEISA-N 0 0 325.434 1.144 10 0 EDAERN CC[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1cc(F)ccc1F ZINC000185500008 443210304 /nfs/dbraw/zinc/21/03/04/443210304.db2.gz XIDUDVBYKLWPBJ-AWEZNQCLSA-N 0 0 341.358 1.572 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@H](CO)Cc1ccc(C)cc1 ZINC000190945230 443212082 /nfs/dbraw/zinc/21/20/82/443212082.db2.gz YCFKUKXZKGJXLD-ROUUACIJSA-N 0 0 334.460 1.516 10 0 EDAERN CCOC(=O)N1CC[C@@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000185927152 443285018 /nfs/dbraw/zinc/28/50/18/443285018.db2.gz QFABODFSRNMUTG-CQSZACIVSA-N 0 0 349.435 1.540 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)Nc3cnn(CCOC)c3)CCO2)cn1 ZINC000191405399 443291582 /nfs/dbraw/zinc/29/15/82/443291582.db2.gz UCZXEYHLHRLFPQ-HNNXBMFYSA-N 0 0 348.407 1.351 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000191257990 443268143 /nfs/dbraw/zinc/26/81/43/443268143.db2.gz FESPUVNPABMYRX-OAHLLOKOSA-N 0 0 345.443 1.655 10 0 EDAERN CCc1nnc(C2CCN(C(=O)[C@@H](C)NC(=O)c3ccco3)CC2)[nH]1 ZINC000191482457 443300610 /nfs/dbraw/zinc/30/06/10/443300610.db2.gz RWVJOPMBWOVULD-LLVKDONJSA-N 0 0 345.403 1.485 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(OCc3ccccc3)nc2)C1 ZINC000191480655 443301031 /nfs/dbraw/zinc/30/10/31/443301031.db2.gz PMXQWZLBCGQGHY-UHFFFAOYSA-N 0 0 325.368 1.621 10 0 EDAERN CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(c2cc(C)ncn2)CC1 ZINC000328651507 444414802 /nfs/dbraw/zinc/41/48/02/444414802.db2.gz VYTQLEKLLLWPEH-QGZVFWFLSA-N 0 0 340.431 1.983 10 0 EDAERN CS(=O)(=O)N(C[C@@H]1C[C@H](F)CN1CC(N)=O)CC1CCCCC1 ZINC000328603357 444390876 /nfs/dbraw/zinc/39/08/76/444390876.db2.gz FVWBUZAUSBSACF-KBPBESRZSA-N 0 0 349.472 1.776 10 0 EDAERN Cn1cc([C@H]2[C@H](CNc3nc4cc(F)ccc4o3)CC(=O)N2C)cn1 ZINC000328611005 444393156 /nfs/dbraw/zinc/39/31/56/444393156.db2.gz JXJWBNRTZLIURP-MGPLVRAMSA-N 0 0 343.362 2.332 10 0 EDAERN Cn1ccnc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CCN1C ZINC000328615319 444394844 /nfs/dbraw/zinc/39/48/44/444394844.db2.gz ATHPZBLOHADTBJ-XHSDSOJGSA-N 0 0 325.416 1.434 10 0 EDAERN CCn1c(=O)n(Cc2nnc(C)n2C2CC2)nc1[C@H]1OCC[C@H]1C ZINC000328620861 444397269 /nfs/dbraw/zinc/39/72/69/444397269.db2.gz ADTBSWTYRYXROH-YGRLFVJLSA-N 0 0 332.408 1.445 10 0 EDAERN CC(=O)O[C@H]1[C@@H](C)O[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OC(C)=O ZINC000575626996 447876206 /nfs/dbraw/zinc/87/62/06/447876206.db2.gz HBVDJQLPAKHZER-GFVQHMJJSA-N 0 0 338.356 1.172 10 0 EDAERN O=S(=O)(NCc1cn[nH]n1)c1cc(Br)ccc1F ZINC000498050922 448075978 /nfs/dbraw/zinc/07/59/78/448075978.db2.gz ZQTOOJQPRKRDPH-UHFFFAOYSA-N 0 0 335.158 1.185 10 0 EDAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1c[nH]c2ncccc12 ZINC000577432089 448295184 /nfs/dbraw/zinc/29/51/84/448295184.db2.gz IUCWCEWTDJHNSS-YDHLFZDLSA-N 0 0 328.372 1.119 10 0 EDAERN Cn1cncc1[C@H]1[C@H](CNS(=O)(=O)c2ccccc2)CCCN1C ZINC000583616884 448444062 /nfs/dbraw/zinc/44/40/62/448444062.db2.gz RYIXVRNWQMIHGC-WMLDXEAASA-N 0 0 348.472 1.782 10 0 EDAERN CCC(CC)n1nc(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)cc1C ZINC000583619041 448448176 /nfs/dbraw/zinc/44/81/76/448448176.db2.gz ZGTDPZGPDOBVPU-QGZVFWFLSA-N 0 0 346.435 1.795 10 0 EDAERN CC(=O)N1C[C@@H](NC(=O)c2cc(C)nc(C)n2)CC[C@H]1C(F)(F)F ZINC000583620028 448451027 /nfs/dbraw/zinc/45/10/27/448451027.db2.gz LACQFPRVGBPQHW-AAEUAGOBSA-N 0 0 344.337 1.765 10 0 EDAERN Cc1c(Br)n(C)c(=O)n(COCc2ccccc2)c1=O ZINC000584623114 448586009 /nfs/dbraw/zinc/58/60/09/448586009.db2.gz FUTGHKVGVGUCAQ-UHFFFAOYSA-N 0 0 339.189 1.792 10 0 EDAERN Cc1cn2nc(N[C@H]3CCN(C(=O)c4ncoc4C)C3)ccc2n1 ZINC000519441142 448771955 /nfs/dbraw/zinc/77/19/55/448771955.db2.gz KZYCBIZCGAZVDN-LBPRGKRZSA-N 0 0 326.360 1.661 10 0 EDAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1ncc2c(F)cccn21 ZINC000529403182 448856845 /nfs/dbraw/zinc/85/68/45/448856845.db2.gz SETWTODJPCBXQQ-WHOFXGATSA-N 0 0 346.362 1.029 10 0 EDAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccnn1CCc1ccccc1 ZINC000622005125 450982881 /nfs/dbraw/zinc/98/28/81/450982881.db2.gz YTYZVTBKIKHWPD-ZFWWWQNUSA-N 0 0 326.400 1.523 10 0 EDAERN Cc1cn2ccc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)cc2n1 ZINC000635621958 451112989 /nfs/dbraw/zinc/11/29/89/451112989.db2.gz IGFYVFCRZRLLIQ-CJNGLKHVSA-N 0 0 328.416 1.435 10 0 EDAERN Cc1ccccc1-n1nccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[NH2+]C1 ZINC000630691153 451342972 /nfs/dbraw/zinc/34/29/72/451342972.db2.gz GRRYWXGQTJEZNZ-QWHCGFSZSA-N 0 0 328.372 1.572 10 0 EDAERN O=C([O-])[C@H]1CC[C@H](C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)C[NH2+]1 ZINC000630697363 451345917 /nfs/dbraw/zinc/34/59/17/451345917.db2.gz MMGJECIOJQFSGR-GOEBONIOSA-N 0 0 342.399 1.391 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)NCc2ccccc2F)C1 ZINC000643859594 452754626 /nfs/dbraw/zinc/75/46/26/452754626.db2.gz KPUHDPGVNXOXEK-HIFRSBDPSA-N 0 0 332.379 1.627 10 0 EDAERN Cc1nc(NC[C@@H]2CCCO[C@H]2c2ccnn2C)cc2nncn21 ZINC000664503409 453145783 /nfs/dbraw/zinc/14/57/83/453145783.db2.gz SWRKFDDEMBGJRR-BLLLJJGKSA-N 0 0 327.392 1.746 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000665057089 453559449 /nfs/dbraw/zinc/55/94/49/453559449.db2.gz IUDNBIAPPVBDLE-CZUORRHYSA-N 0 0 343.383 1.933 10 0 EDAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccoc1 ZINC000657199900 453731906 /nfs/dbraw/zinc/73/19/06/453731906.db2.gz CQMBDRKUAAMQBU-SMDDNHRTSA-N 0 0 325.390 1.459 10 0 EDAERN CCn1cc(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)c2ccccc21 ZINC000671606344 486664616 /nfs/dbraw/zinc/66/46/16/486664616.db2.gz ASNMIKIZJVJUHN-GOSISDBHSA-N 0 0 339.399 1.530 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1=O ZINC000091984989 485930098 /nfs/dbraw/zinc/93/00/98/485930098.db2.gz DAAFKFHBCIKXDO-AEFFLSMTSA-N 0 0 346.427 1.472 10 0 EDAERN O[C@@]1(Cn2ccnn2)CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000671466865 486551147 /nfs/dbraw/zinc/55/11/47/486551147.db2.gz RJDFKYNHUSAGKT-LBPRGKRZSA-N 0 0 347.728 1.987 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cnc(C3CC3)nc1)CC2 ZINC000114906532 500752294 /nfs/dbraw/zinc/75/22/94/500752294.db2.gz MNVZSTOJVOFDCE-NSHDSACASA-N 0 0 327.392 1.644 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1CCCOC1)C(C)C ZINC000170936522 500863275 /nfs/dbraw/zinc/86/32/75/500863275.db2.gz WNCADWQLKXQILM-CJNGLKHVSA-N 0 0 334.416 1.745 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000171073886 533737078 /nfs/dbraw/zinc/73/70/78/533737078.db2.gz XMCNTYKXQXUTSF-RISCZKNCSA-N 0 0 340.420 1.751 10 0 EDAERN C[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)N1CCCCC1 ZINC000130798601 533747951 /nfs/dbraw/zinc/74/79/51/533747951.db2.gz SGCBGWKQCSWUAD-AWEZNQCLSA-N 0 0 346.431 1.049 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@@H]1N1CCOCC1 ZINC000173878884 533874435 /nfs/dbraw/zinc/87/44/35/533874435.db2.gz HDUNFKRWPGLMMO-BBRMVZONSA-N 0 0 342.399 1.529 10 0 EDAERN COc1ccccc1C(=O)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000183895526 533966291 /nfs/dbraw/zinc/96/62/91/533966291.db2.gz IRFUDMJNSPLTBX-ZDUSSCGKSA-N 0 0 340.383 1.453 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccc2c(c1)CCCC(=O)N2)N1CCOCC1 ZINC000171528065 533994114 /nfs/dbraw/zinc/99/41/14/533994114.db2.gz WZUYWMZKNIAWII-ZDUSSCGKSA-N 0 0 346.431 1.804 10 0 EDAERN C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)cc(CO)c1F ZINC000161899777 534173387 /nfs/dbraw/zinc/17/33/87/534173387.db2.gz IJLXNOSCKQTDKB-KWQFWETISA-N 0 0 337.800 1.769 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)NCCCO)N2CCOCC2)s1 ZINC000175009119 534218806 /nfs/dbraw/zinc/21/88/06/534218806.db2.gz OYPDJBXPLGLVKS-CYBMUJFWSA-N 0 0 327.450 1.111 10 0 EDAERN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccsc2)C[C@H]1N1CCOCC1 ZINC000187598607 534395701 /nfs/dbraw/zinc/39/57/01/534395701.db2.gz QFEOYNWMFRGVNA-IUODEOHRSA-N 0 0 346.456 1.931 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cc(N(C)C)ccn3)C2)no1 ZINC000171485718 534408812 /nfs/dbraw/zinc/40/88/12/534408812.db2.gz PHUUDEMJBIKWNV-ZDUSSCGKSA-N 0 0 329.404 1.934 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)C[C@H]1N1CCOCC1 ZINC000173854516 534425911 /nfs/dbraw/zinc/42/59/11/534425911.db2.gz HCLGWDYGHOHDNK-GDBMZVCRSA-N 0 0 346.427 1.641 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccnc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000179514322 534432815 /nfs/dbraw/zinc/43/28/15/534432815.db2.gz JBEOSYFPXVLKRF-DGCLKSJQSA-N 0 0 343.349 1.893 10 0 EDAERN Cc1ccoc1C(=O)NCCCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177318201 534437295 /nfs/dbraw/zinc/43/72/95/534437295.db2.gz DLAAMOJQACIQQC-LBPRGKRZSA-N 0 0 346.391 1.134 10 0 EDAERN NC(=O)c1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)nc1 ZINC000154519967 534475817 /nfs/dbraw/zinc/47/58/17/534475817.db2.gz JTGLATZPCZFAGD-JSGCOSHPSA-N 0 0 329.356 1.502 10 0 EDAERN Cc1nc(S(N)(=O)=O)cn1Cc1cccc(F)c1Br ZINC000158004445 534521239 /nfs/dbraw/zinc/52/12/39/534521239.db2.gz IQGOFTUJKQGTSX-UHFFFAOYSA-N 0 0 348.197 1.789 10 0 EDAERN Cc1oc2nc(CN3CC[C@H](N4CCOCC4)C3)nc(N)c2c1C ZINC000154044386 534559090 /nfs/dbraw/zinc/55/90/90/534559090.db2.gz VROACOJYDPBKRO-ZDUSSCGKSA-N 0 0 331.420 1.328 10 0 EDAERN Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177651586 534673779 /nfs/dbraw/zinc/67/37/79/534673779.db2.gz GEKTWVLUHSSWCT-OAHLLOKOSA-N 0 0 342.399 1.366 10 0 EDAERN Cn1cc(N2CCC[C@@H](N3CC[C@H](Oc4ccncc4)C3)C2=O)cn1 ZINC000131652325 534739695 /nfs/dbraw/zinc/73/96/95/534739695.db2.gz BAOSGICYINLXQN-DLBZAZTESA-N 0 0 341.415 1.464 10 0 EDAERN C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)CCS1 ZINC000188656851 524809696 /nfs/dbraw/zinc/80/96/96/524809696.db2.gz ZPNXDEAPZIXSTJ-CYBMUJFWSA-N 0 0 333.457 1.832 10 0 EDAERN O=C(Nc1ccc(OC2COC2)cc1)N[C@H]1CCCn2ncnc21 ZINC000187208170 534835476 /nfs/dbraw/zinc/83/54/76/534835476.db2.gz FAZHQKAPZWVFJR-AWEZNQCLSA-N 0 0 329.360 1.712 10 0 EDAERN O=S1CCC(Nc2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000158461249 534878494 /nfs/dbraw/zinc/87/84/94/534878494.db2.gz RYKLAKGXIMUKIL-UHFFFAOYSA-N 0 0 328.459 1.450 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246623613 534893064 /nfs/dbraw/zinc/89/30/64/534893064.db2.gz DFKGNMJAYQIDSI-KGLIPLIRSA-N 0 0 334.416 1.182 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@](C)(O)c2ccco2)C1 ZINC000173706620 526420533 /nfs/dbraw/zinc/42/05/33/526420533.db2.gz UETWAKLNCXCUNB-SJCJKPOMSA-N 0 0 338.404 1.860 10 0 EDAERN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171580837 526429604 /nfs/dbraw/zinc/42/96/04/526429604.db2.gz JRUYUBZHLPYHTI-GFCCVEGCSA-N 0 0 337.424 1.745 10 0 EDAERN CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000154215095 526580381 /nfs/dbraw/zinc/58/03/81/526580381.db2.gz KKNSVKKYHKICPD-XHSDSOJGSA-N 0 0 334.416 1.953 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1C ZINC000130993533 527294496 /nfs/dbraw/zinc/29/44/96/527294496.db2.gz GEJGODZBFSREDN-CZUORRHYSA-N 0 0 332.400 1.803 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCc1cccc(N(C)C)n1)C(C)C ZINC000152356019 527667652 /nfs/dbraw/zinc/66/76/52/527667652.db2.gz OVCKEBRDXPYUGD-KRWDZBQOSA-N 0 0 334.464 1.951 10 0 EDAERN CCC1(CNC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)CC1 ZINC000190307824 527714870 /nfs/dbraw/zinc/71/48/70/527714870.db2.gz RTYQYVLSWMGMOC-CYBMUJFWSA-N 0 0 340.449 1.091 10 0 EDAERN CC(C)OC(=O)[C@@H](C)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000153491775 527833887 /nfs/dbraw/zinc/83/38/87/527833887.db2.gz BDFJNAYIOITNNZ-NWDGAFQWSA-N 0 0 337.424 1.562 10 0 EDAERN CCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165891298 527904535 /nfs/dbraw/zinc/90/45/35/527904535.db2.gz KVTGTMWMYPDCCG-UHFFFAOYSA-N 0 0 340.232 1.332 10 0 EDAERN CC(C)c1cc(NC(=O)C(=O)N[C@H](C)C(C)C)n(-c2ncccn2)n1 ZINC000131955107 528046709 /nfs/dbraw/zinc/04/67/09/528046709.db2.gz LYVOXRFCNRFPKS-GFCCVEGCSA-N 0 0 344.419 1.885 10 0 EDAERN CCN(CC)C(=O)[C@@H](C)n1ncc(I)cc1=O ZINC000158601445 528049723 /nfs/dbraw/zinc/04/97/23/528049723.db2.gz LZACPUPYMPEWMX-MRVPVSSYSA-N 0 0 349.172 1.277 10 0 EDAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000132223322 528136418 /nfs/dbraw/zinc/13/64/18/528136418.db2.gz VMLPFKARPYNPKF-LSDHHAIUSA-N 0 0 329.400 1.582 10 0 EDAERN CCNC(=O)[C@H]1COCCN1Cc1ccc(N)cc1Br ZINC000159342193 528223993 /nfs/dbraw/zinc/22/39/93/528223993.db2.gz YNFIACFBUSTAJS-CYBMUJFWSA-N 0 0 342.237 1.368 10 0 EDAERN CCNC(=O)c1ccc(C)c(NC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000175922287 528236261 /nfs/dbraw/zinc/23/62/61/528236261.db2.gz JFXIEVCTUYYDEG-ZDUSSCGKSA-N 0 0 342.403 1.993 10 0 EDAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cn1 ZINC000177554948 528310178 /nfs/dbraw/zinc/31/01/78/528310178.db2.gz NFDPENLXEHEFPY-ZFWWWQNUSA-N 0 0 348.447 1.534 10 0 EDAERN CCCNC(=O)[C@@H]1COCCN1c1ccncc1Br ZINC000164085064 528433618 /nfs/dbraw/zinc/43/36/18/528433618.db2.gz HMFGZJQNYMSWKD-LBPRGKRZSA-N 0 0 328.210 1.576 10 0 EDAERN CCOc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1F ZINC000187037437 528441703 /nfs/dbraw/zinc/44/17/03/528441703.db2.gz RVDITUVQHQSOLW-UHFFFAOYSA-N 0 0 335.379 1.644 10 0 EDAERN CCN(CCOC)C(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1 ZINC000138535954 528562087 /nfs/dbraw/zinc/56/20/87/528562087.db2.gz BZFVVDRXJNHIES-UHFFFAOYSA-N 0 0 334.825 1.404 10 0 EDAERN CC(C)Cn1c(CCCc2cccs2)nnc1S(N)(=O)=O ZINC000158459321 528693239 /nfs/dbraw/zinc/69/32/39/528693239.db2.gz OQYWANWJIKDYRQ-UHFFFAOYSA-N 0 0 328.463 1.818 10 0 EDAERN CCN(C(=O)CSC[C@H](O)CO)c1nc2ccccc2s1 ZINC000177409426 528965230 /nfs/dbraw/zinc/96/52/30/528965230.db2.gz LYWUJYPKYYBJDX-SNVBAGLBSA-N 0 0 326.443 1.736 10 0 EDAERN CC(C)N1C(=O)NC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)C1=O ZINC000169852303 528979191 /nfs/dbraw/zinc/97/91/91/528979191.db2.gz NVLRYGXKGXETQE-UHFFFAOYSA-N 0 0 347.390 1.690 10 0 EDAERN CCSc1cc(CNC(=O)N[C@H]2CCc3ncnn3C2)ccn1 ZINC000187187475 529238030 /nfs/dbraw/zinc/23/80/30/529238030.db2.gz KCRXTNBBOGAHMB-LBPRGKRZSA-N 0 0 332.433 1.599 10 0 EDAERN CC[C@H]1NC(=O)CCN(Cc2cncc(Br)c2)C1=O ZINC000168917026 529330727 /nfs/dbraw/zinc/33/07/27/529330727.db2.gz FDKQMQMVVQOZTL-LLVKDONJSA-N 0 0 326.194 1.471 10 0 EDAERN CC(C)n1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC000333236752 535048434 /nfs/dbraw/zinc/04/84/34/535048434.db2.gz PGVDZAQOCHKVJU-CQSZACIVSA-N 0 0 333.436 1.912 10 0 EDAERN CC1(C)CN(CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CCO1 ZINC000248178733 535355801 /nfs/dbraw/zinc/35/58/01/535355801.db2.gz WBHVVLCWCYAQNA-YJBOKZPZSA-N 0 0 339.480 1.434 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000248442091 535392512 /nfs/dbraw/zinc/39/25/12/535392512.db2.gz KNZVFISSYHTACM-BBRMVZONSA-N 0 0 340.445 1.796 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2)C12CCOCC2 ZINC000187289439 535394398 /nfs/dbraw/zinc/39/43/98/535394398.db2.gz XRCALHBMXWRURU-HUUCEWRRSA-N 0 0 332.400 1.716 10 0 EDAERN CCOC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247771749 535500862 /nfs/dbraw/zinc/50/08/62/535500862.db2.gz ZXIJKLNSSXVCFA-IAGOWNOFSA-N 0 0 329.400 1.888 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000184381409 535987907 /nfs/dbraw/zinc/98/79/07/535987907.db2.gz DEUJPNGXZZDMJV-HOTGVXAUSA-N 0 0 327.469 1.434 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCC3(C)COC3)CC2)cn1 ZINC000112723669 536052465 /nfs/dbraw/zinc/05/24/65/536052465.db2.gz GLAFIRJMMCBXKQ-UHFFFAOYSA-N 0 0 335.452 1.157 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)c1cccc(F)c1)CC2 ZINC000114976901 536163799 /nfs/dbraw/zinc/16/37/99/536163799.db2.gz QTMRWOCIXRIFIS-KGLIPLIRSA-N 0 0 347.394 1.327 10 0 EDAERN CN[C@@H](C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1cnn(C)c1 ZINC000262235714 536336881 /nfs/dbraw/zinc/33/68/81/536336881.db2.gz QWNSHRCKQQGZKK-SJKOYZFVSA-N 0 0 346.431 1.884 10 0 EDAERN CN[C@@H](C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1)c1cnn(C)c1 ZINC000262225927 536336970 /nfs/dbraw/zinc/33/69/70/536336970.db2.gz PQTKSLDRAPRLPZ-GDBMZVCRSA-N 0 0 330.436 1.132 10 0 EDAERN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000245841407 536800792 /nfs/dbraw/zinc/80/07/92/536800792.db2.gz ZDJLLCKJNIJHOV-UKRRQHHQSA-N 0 0 329.404 1.951 10 0 EDAERN Cc1ccccc1-c1cnc(CN2CC[C@@](O)(c3cn[nH]n3)C2)o1 ZINC000794088898 580872483 /nfs/dbraw/zinc/87/24/83/580872483.db2.gz BSKVBLXVHHXJKC-KRWDZBQOSA-N 0 0 325.372 1.862 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cc(C)oc2C)C1 ZINC000888077584 590932921 /nfs/dbraw/zinc/93/29/21/590932921.db2.gz KFAPLXGAIBGVPM-VXGBXAGGSA-N 0 0 325.390 1.770 10 0 EDAERN CO[C@@H]1CN(Cc2ccnn2C2CCCC2)C[C@H]1c1cn(C)nn1 ZINC000888078279 590935718 /nfs/dbraw/zinc/93/57/18/590935718.db2.gz GHCHQEDLTVJZPM-DOTOQJQBSA-N 0 0 330.436 1.741 10 0 EDAERN O=c1cc([C@H]2CCN(c3nccc(CO)n3)C2)nc(N2CCCC2)[nH]1 ZINC000888098264 591028236 /nfs/dbraw/zinc/02/82/36/591028236.db2.gz CLJHPBDWGBXZGG-LBPRGKRZSA-N 0 0 342.403 1.059 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(=O)Nc2cc(C)no2)C1 ZINC000888102967 591031251 /nfs/dbraw/zinc/03/12/51/591031251.db2.gz XDVCFBSBBPRWPM-OLZOCXBDSA-N 0 0 333.392 1.723 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc(CN3CCCC3)on2)C1 ZINC000888103043 591031267 /nfs/dbraw/zinc/03/12/67/591031267.db2.gz BIJJTYZLYMFZHO-IUODEOHRSA-N 0 0 345.403 1.596 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)C[C@H]1N1CCOCC1 ZINC000896731323 591595846 /nfs/dbraw/zinc/59/58/46/591595846.db2.gz XTQPFHMNOUUNQS-SWLSCSKDSA-N 0 0 346.406 1.885 10 0 EDAERN Cc1noc(CCCC(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)n1 ZINC000899074606 591673230 /nfs/dbraw/zinc/67/32/30/591673230.db2.gz IEIADVRZRASGEP-CYBMUJFWSA-N 0 0 330.392 1.643 10 0 EDAERN Cn1cc([C@@H]2OCC[C@H]2CNC(=O)c2ccc3c(n2)CCCN3)cn1 ZINC000899163669 591712431 /nfs/dbraw/zinc/71/24/31/591712431.db2.gz JFDCFSPEIUMQEN-YVEFUNNKSA-N 0 0 341.415 1.681 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000101538795 595166336 /nfs/dbraw/zinc/16/63/36/595166336.db2.gz NARYCZTUXVZFER-GFCCVEGCSA-N 0 0 340.497 1.902 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000105864327 595481159 /nfs/dbraw/zinc/48/11/59/595481159.db2.gz QMWNNXSYHJDSIS-BLLLJJGKSA-N 0 0 334.395 1.929 10 0 EDAERN CC(C)n1nnnc1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116307526 595876694 /nfs/dbraw/zinc/87/66/94/595876694.db2.gz ZXXOGZLAOPZZGJ-UHFFFAOYSA-N 0 0 335.843 1.620 10 0 EDAERN CCOC(=O)c1cn(CN2CCO[C@@H](Cn3cc(C)cn3)C2)nc1C ZINC000112071881 596016484 /nfs/dbraw/zinc/01/64/84/596016484.db2.gz CXICJHCAFSMHQI-OAHLLOKOSA-N 0 0 347.419 1.232 10 0 EDAERN Cc1noc([C@H]2CC(=O)N(C3CN(c4nc(C)nc(C)c4F)C3)C2)n1 ZINC000864308636 596828226 /nfs/dbraw/zinc/82/82/26/596828226.db2.gz YKQNKTBLMPMQPY-NSHDSACASA-N 0 0 346.366 1.129 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(=O)OC)CCN1CC(F)F ZINC000125124165 597160434 /nfs/dbraw/zinc/16/04/34/597160434.db2.gz PZPOUKSUQZQAJX-CHWSQXEVSA-N 0 0 349.422 1.945 10 0 EDAERN Cc1cc(CN2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)on1 ZINC000022244149 597550898 /nfs/dbraw/zinc/55/08/98/597550898.db2.gz HEIMNTHUGIGBBN-HZPDHXFCSA-N 0 0 344.415 1.009 10 0 EDAERN CCOC(=O)c1cnn(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1 ZINC000133227320 597950449 /nfs/dbraw/zinc/95/04/49/597950449.db2.gz LFDOCALEFZEUIY-LBPRGKRZSA-N 0 0 348.407 1.088 10 0 EDAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O[C@H](C)CN1CCOCC1 ZINC000181620759 699856600 /nfs/dbraw/zinc/85/66/00/699856600.db2.gz GTCHGYAICCAMGJ-RDTXWAMCSA-N 0 0 346.427 1.224 10 0 EDAERN C#CCCCCCOC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000185329793 702581049 /nfs/dbraw/zinc/58/10/49/702581049.db2.gz FAWIFPCKPTWVKC-CYBMUJFWSA-N 0 0 348.424 1.850 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1Cl)C(C)C ZINC000184246819 703082949 /nfs/dbraw/zinc/08/29/49/703082949.db2.gz XGOICSQEWKTCLI-CZUORRHYSA-N 0 0 341.839 1.617 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000155148356 703788948 /nfs/dbraw/zinc/78/89/48/703788948.db2.gz FKGMTDLZKAJIIX-TZMCWYRMSA-N 0 0 346.362 1.518 10 0 EDAERN C[C@@H](CC(N)=S)NS(=O)(=O)c1ccc(Br)s1 ZINC000050391025 214055860 /nfs/dbraw/zinc/05/58/60/214055860.db2.gz YXHLAOARMYXPNF-YFKPBYRVSA-N 0 0 343.293 1.854 10 0 EDAERN CC(C)OCCOc1ccc(Br)cc1S(N)(=O)=O ZINC000050428379 214057103 /nfs/dbraw/zinc/05/71/03/214057103.db2.gz ISTQBGRYZKEMOM-UHFFFAOYSA-N 0 0 338.223 1.900 10 0 EDAERN CCOCCCNS(=O)(=O)c1cc(Br)cnc1N ZINC000050649530 214063410 /nfs/dbraw/zinc/06/34/10/214063410.db2.gz FZSAZDAYFBEIGT-UHFFFAOYSA-N 0 0 338.227 1.131 10 0 EDAERN CCCN(C1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050652573 214063918 /nfs/dbraw/zinc/06/39/18/214063918.db2.gz XGJQLEWSMCHCEG-UHFFFAOYSA-N 0 0 332.447 1.235 10 0 EDAERN Nc1ncc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000050693549 214066922 /nfs/dbraw/zinc/06/69/22/214066922.db2.gz PRYSAKYDMGSAKE-UHFFFAOYSA-N 0 0 326.765 1.217 10 0 EDAERN Cc1cnc(C(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cn1 ZINC000050891611 214071782 /nfs/dbraw/zinc/07/17/82/214071782.db2.gz JPFFLWVNHDVEQK-UHFFFAOYSA-N 0 0 326.765 1.338 10 0 EDAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000051134570 214079579 /nfs/dbraw/zinc/07/95/79/214079579.db2.gz MAMSUXGNYBHMAM-LLVKDONJSA-N 0 0 349.412 1.818 10 0 EDAERN NNc1ccc(C(=O)Nc2ccc(F)cc2Br)nn1 ZINC000051122306 214079630 /nfs/dbraw/zinc/07/96/30/214079630.db2.gz HYWJRALQINZGDZ-UHFFFAOYSA-N 0 0 326.129 1.916 10 0 EDAERN NS(=O)(=O)c1ccc(NCC2CCOCC2)c(Br)c1 ZINC000052178321 214121199 /nfs/dbraw/zinc/12/11/99/214121199.db2.gz HAHCDKMVIGQFSS-UHFFFAOYSA-N 0 0 349.250 1.935 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1CCCO ZINC000052760819 214143008 /nfs/dbraw/zinc/14/30/08/214143008.db2.gz ZITCLJYUORRHKV-SNVBAGLBSA-N 0 0 333.431 1.460 10 0 EDAERN O=S1(=O)CCN(CC[C@H](O)c2ccc(Br)cc2)CC1 ZINC000053972916 214208917 /nfs/dbraw/zinc/20/89/17/214208917.db2.gz HFXTWSXDZVYXNN-ZDUSSCGKSA-N 0 0 348.262 1.603 10 0 EDAERN Ic1ccccc1-n1nnnc1CNC1CC1 ZINC000054744532 214253737 /nfs/dbraw/zinc/25/37/37/214253737.db2.gz FPRNPEBDVBDAFL-UHFFFAOYSA-N 0 0 341.156 1.519 10 0 EDAERN CN(C)S(=O)(=O)c1cccc(NC(=O)c2csc(N)n2)c1 ZINC000055186378 214284986 /nfs/dbraw/zinc/28/49/86/214284986.db2.gz UIVLMEYCEJVXPQ-UHFFFAOYSA-N 0 0 326.403 1.228 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccccc3Cl)CCO2)[nH]1 ZINC000173736604 231018515 /nfs/dbraw/zinc/01/85/15/231018515.db2.gz NFHKERLXALRQAY-NSHDSACASA-N 0 0 342.808 1.529 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@H]1N1CCOCC1 ZINC000173868578 231056711 /nfs/dbraw/zinc/05/67/11/231056711.db2.gz LWTAOFJQHGZLSP-RHSMWYFYSA-N 0 0 341.415 1.060 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCCC(=O)NC ZINC000153834603 529400148 /nfs/dbraw/zinc/40/01/48/529400148.db2.gz ZJSUOLJYBISIMP-RHSMWYFYSA-N 0 0 347.459 1.816 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000174007471 231097491 /nfs/dbraw/zinc/09/74/91/231097491.db2.gz PKVCPUNSWVPYME-OAHLLOKOSA-N 0 0 331.416 1.175 10 0 EDAERN CS(=O)(=O)c1ccc(S(=O)(=O)Cc2ccccc2N)cc1 ZINC000063131445 214745098 /nfs/dbraw/zinc/74/50/98/214745098.db2.gz JEQPGOLILVKFEG-UHFFFAOYSA-N 0 0 325.411 1.646 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCS(N)(=O)=O ZINC000056850225 214392207 /nfs/dbraw/zinc/39/22/07/214392207.db2.gz BQMHIGHDVQSDHD-SSDOTTSWSA-N 0 0 341.216 1.165 10 0 EDAERN CC[C@@H](C)[C@H]1C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168902143 529425531 /nfs/dbraw/zinc/42/55/31/529425531.db2.gz QKYBVPGULFFALI-RNCFNFMXSA-N 0 0 340.221 1.717 10 0 EDAERN CCc1[nH]c(C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)c1C(=O)OC ZINC000171663487 529461053 /nfs/dbraw/zinc/46/10/53/529461053.db2.gz SXSJZOYXMLPTNZ-GFCCVEGCSA-N 0 0 345.403 1.741 10 0 EDAERN Cc1cnc([C@H](C)NC(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000174916373 231343356 /nfs/dbraw/zinc/34/33/56/231343356.db2.gz XUNHRRZKIGRWKQ-STQMWFEESA-N 0 0 326.466 1.659 10 0 EDAERN Cc1ccc(N2CC[C@H](NC(=O)N[C@H](C)[C@@H]3CCCO3)C2=O)cc1 ZINC000174946626 231352012 /nfs/dbraw/zinc/35/20/12/231352012.db2.gz LTYYNBOMXBAJHC-KBMXLJTQSA-N 0 0 331.416 1.967 10 0 EDAERN COc1cc(OC)cc(C(=O)NCCc2nn3cnnc3s2)c1 ZINC000049722248 214028841 /nfs/dbraw/zinc/02/88/41/214028841.db2.gz GKCKTBQMVKXZFW-UHFFFAOYSA-N 0 0 333.373 1.176 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCCNC(=O)C(C)C ZINC000152716379 282211836 /nfs/dbraw/zinc/21/18/36/282211836.db2.gz CPZFFZVOWSYZKI-HNNXBMFYSA-N 0 0 335.452 1.528 10 0 EDAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(C)(=O)=O)cc1 ZINC000049676832 214026319 /nfs/dbraw/zinc/02/63/19/214026319.db2.gz LIXLZQHZNKKQDK-ZDUSSCGKSA-N 0 0 340.401 1.363 10 0 EDAERN O=C(CCc1ccc2oc(=O)[nH]c2c1)N1CCC2(CC1)OCCO2 ZINC000049682142 214026401 /nfs/dbraw/zinc/02/64/01/214026401.db2.gz IPDARSWROBXBFJ-UHFFFAOYSA-N 0 0 332.356 1.419 10 0 EDAERN Cc1ccc(-c2nnc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000049683811 214026089 /nfs/dbraw/zinc/02/60/89/214026089.db2.gz JRGXFNALQMVPNX-GFCCVEGCSA-N 0 0 335.385 1.304 10 0 EDAERN Cc1c(C(=O)Nc2cccc(F)c2)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000049658500 214025706 /nfs/dbraw/zinc/02/57/06/214025706.db2.gz ZFYWYKUVKPUQFW-ZDUSSCGKSA-N 0 0 337.376 1.943 10 0 EDAERN CCOC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1ccccc1OCC ZINC000058949468 214610948 /nfs/dbraw/zinc/61/09/48/214610948.db2.gz BVUFSDVMYOSFLB-AWEZNQCLSA-N 0 0 346.383 1.692 10 0 EDAERN CCc1nnc([C@H]2CN(c3ncc(C(N)=O)cc3Cl)CCO2)[nH]1 ZINC000131661356 529702412 /nfs/dbraw/zinc/70/24/12/529702412.db2.gz CFQFQDCTDOMACW-SNVBAGLBSA-N 0 0 336.783 1.092 10 0 EDAERN Cc1ccc(=O)n(CC(=O)Nc2ccc(N)cc2Br)n1 ZINC000061809945 214679503 /nfs/dbraw/zinc/67/95/03/214679503.db2.gz ZMCSTTNHVJASSV-UHFFFAOYSA-N 0 0 337.177 1.535 10 0 EDAERN CCc1nnsc1[C@@H](NN)c1c(Br)cnn1CC ZINC000161408769 529769781 /nfs/dbraw/zinc/76/97/81/529769781.db2.gz GMQZKMODNYVCOC-QMMMGPOBSA-N 0 0 331.243 1.632 10 0 EDAERN CN1CCN(Cc2ccc(Br)cc2Cl)C(=O)C1=O ZINC000168651371 529773879 /nfs/dbraw/zinc/77/38/79/529773879.db2.gz ONDQHTHRTIXCTM-UHFFFAOYSA-N 0 0 331.597 1.903 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCSC3(CCCCC3)C2)C1 ZINC000175505592 529783095 /nfs/dbraw/zinc/78/30/95/529783095.db2.gz RATCXYQFYRFPTP-AWEZNQCLSA-N 0 0 327.494 1.778 10 0 EDAERN CN1CCO[C@H](CS(=O)(=O)c2cc(Br)ccc2N)C1 ZINC000167148060 529790000 /nfs/dbraw/zinc/79/00/00/529790000.db2.gz RLFHNFZRDIMURC-JTQLQIEISA-N 0 0 349.250 1.136 10 0 EDAERN C[C@H]1COCCN1C(=O)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000062278616 214709049 /nfs/dbraw/zinc/70/90/49/214709049.db2.gz PIWJEJLBQCTEFB-LBPRGKRZSA-N 0 0 341.367 1.488 10 0 EDAERN O=C(c1ccccc1F)N1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049482895 214011381 /nfs/dbraw/zinc/01/13/81/214011381.db2.gz IHLXOASFYROQCE-UHFFFAOYSA-N 0 0 325.303 1.905 10 0 EDAERN CCOc1ccc(N2CCN(CC(=O)N[C@@H](C)COC)C2=O)cc1 ZINC000049386015 214004034 /nfs/dbraw/zinc/00/40/34/214004034.db2.gz VDLOHYSPSGABAR-ZDUSSCGKSA-N 0 0 335.404 1.478 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000166768485 529901657 /nfs/dbraw/zinc/90/16/57/529901657.db2.gz UAWTYCWCVMCDNS-NSHDSACASA-N 0 0 344.198 1.669 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000159337695 529902587 /nfs/dbraw/zinc/90/25/87/529902587.db2.gz ZCASPNXYGAEIAI-BBRMVZONSA-N 0 0 341.415 1.853 10 0 EDAERN O=C(NCc1nnc2n1CCCCC2)N1CCC[C@@H]1Cn1ccnc1 ZINC000177360685 231870201 /nfs/dbraw/zinc/87/02/01/231870201.db2.gz HYQWWZIERLMGJX-CQSZACIVSA-N 0 0 343.435 1.575 10 0 EDAERN CN(CCn1cccn1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000171899500 529940222 /nfs/dbraw/zinc/94/02/22/529940222.db2.gz UAKOMNAVLIRPML-CQSZACIVSA-N 0 0 348.428 1.443 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000159269496 529923729 /nfs/dbraw/zinc/92/37/29/529923729.db2.gz CNXZXZHSXSUJAN-CZUORRHYSA-N 0 0 341.415 1.853 10 0 EDAERN CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000175612644 529959761 /nfs/dbraw/zinc/95/97/61/529959761.db2.gz WSULABTWYQKTFK-WMZOPIPTSA-N 0 0 347.459 1.399 10 0 EDAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1C(N)=O ZINC000177827412 232004581 /nfs/dbraw/zinc/00/45/81/232004581.db2.gz XATBFCLILZEXOQ-XJKSGUPXSA-N 0 0 346.431 1.278 10 0 EDAERN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C[C@@H](O)C(C)C)c1 ZINC000158805920 530036238 /nfs/dbraw/zinc/03/62/38/530036238.db2.gz YWTBKINUYPWVOL-SMDDNHRTSA-N 0 0 328.434 1.179 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCc2nccc(N)n2)[C@@H]1c1ccccc1 ZINC000178568077 530040093 /nfs/dbraw/zinc/04/00/93/530040093.db2.gz FVEQFMPJFYQSLL-DYVFJYSZSA-N 0 0 339.399 1.285 10 0 EDAERN CN1CCN(C(=O)CNc2ccc(F)c(Br)c2)CC1 ZINC000163930665 530068243 /nfs/dbraw/zinc/06/82/43/530068243.db2.gz GMVCUTGMSQIPTD-UHFFFAOYSA-N 0 0 330.201 1.774 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000101733393 219160465 /nfs/dbraw/zinc/16/04/65/219160465.db2.gz UQRCXQWVCAJKIY-ZNMIVQPWSA-N 0 0 325.453 1.051 10 0 EDAERN CCOCCOc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1 ZINC000066138757 215015211 /nfs/dbraw/zinc/01/52/11/215015211.db2.gz UYGKXXSAZAOPNB-UHFFFAOYSA-N 0 0 330.388 1.843 10 0 EDAERN Cc1cc(C)cc(OCC(=O)N[C@@H](CO)[C@H](O)c2ccc(N)cc2)c1 ZINC000066142118 215017488 /nfs/dbraw/zinc/01/74/88/215017488.db2.gz ZUZWNPYAIBNIIW-PKOBYXMFSA-N 0 0 344.411 1.475 10 0 EDAERN CN(CC(C)(C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000045091590 213706498 /nfs/dbraw/zinc/70/64/98/213706498.db2.gz CHJUAOUORBZHIH-UHFFFAOYSA-N 0 0 338.426 1.140 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)C(C)C ZINC000245639766 539594816 /nfs/dbraw/zinc/59/48/16/539594816.db2.gz AFCTYYYKHJBIIA-WDEREUQCSA-N 0 0 338.374 1.035 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000245999780 539597321 /nfs/dbraw/zinc/59/73/21/539597321.db2.gz ILVUVCFVCIMUGC-UONOGXRCSA-N 0 0 332.466 1.266 10 0 EDAERN COCCN([C@@H](C)COC)S(=O)(=O)c1cc(N)ccc1Cl ZINC000042601820 213518194 /nfs/dbraw/zinc/51/81/94/213518194.db2.gz ZWGUKOQOZJTFMI-JTQLQIEISA-N 0 0 336.841 1.594 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C)c2)C1 ZINC000103324478 219291651 /nfs/dbraw/zinc/29/16/51/219291651.db2.gz JUDSYFQBHGUPAA-CQSZACIVSA-N 0 0 349.406 1.980 10 0 EDAERN COc1ccc2c(ncnc2N(C)[C@H]2CCS(=O)(=O)C2)c1OC ZINC000041475031 213448661 /nfs/dbraw/zinc/44/86/61/213448661.db2.gz BTUDJQBHFFIUMS-JTQLQIEISA-N 0 0 337.401 1.270 10 0 EDAERN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OC(C)(C)C ZINC000669380918 539742177 /nfs/dbraw/zinc/74/21/77/539742177.db2.gz SBWOTAYEIFKZMG-LBPRGKRZSA-N 0 0 328.409 1.909 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cccnc3Cl)C2)cn1 ZINC000179719904 233368029 /nfs/dbraw/zinc/36/80/29/233368029.db2.gz YYHSHADOLNYDDX-JTQLQIEISA-N 0 0 333.779 1.423 10 0 EDAERN CC[C@H](C)NC(=O)CCS(=O)(=O)c1cccc2nsnc21 ZINC000002496249 209857372 /nfs/dbraw/zinc/85/73/72/209857372.db2.gz KBUNKPIVAWWVFY-VIFPVBQESA-N 0 0 327.431 1.770 10 0 EDAERN CN(C[C@@H]1CCCOC1)C(=O)c1cc(Br)cnc1N ZINC000104197528 219359122 /nfs/dbraw/zinc/35/91/22/219359122.db2.gz HKIBKBQYMDNRBL-VIFPVBQESA-N 0 0 328.210 1.925 10 0 EDAERN CCC(=O)Oc1ccc2cc(C(=O)NCCCOC)c(=O)oc2c1 ZINC000040890999 213396735 /nfs/dbraw/zinc/39/67/35/213396735.db2.gz VLGFQCNCQATXIM-UHFFFAOYSA-N 0 0 333.340 1.875 10 0 EDAERN COC(CNS(=O)(=O)c1ccc(C)cc1Br)OC ZINC000040826812 213391103 /nfs/dbraw/zinc/39/11/03/213391103.db2.gz UTSBPTOWCHPSOW-UHFFFAOYSA-N 0 0 338.223 1.655 10 0 EDAERN C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000040662796 213366589 /nfs/dbraw/zinc/36/65/89/213366589.db2.gz JFYVDQSIHBVKMW-PBHICJAKSA-N 0 0 348.418 1.854 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)c1 ZINC000181096837 234085788 /nfs/dbraw/zinc/08/57/88/234085788.db2.gz VNWUHBANGOHNJW-KBPBESRZSA-N 0 0 346.412 1.012 10 0 EDAERN COCc1noc([C@H](C)N2CCC(N(C)c3cccnn3)CC2)n1 ZINC000181802583 234329081 /nfs/dbraw/zinc/32/90/81/234329081.db2.gz FSBDZESEBJAPKZ-LBPRGKRZSA-N 0 0 332.408 1.668 10 0 EDAERN Cc1ccc(Br)cc1S(=O)(=O)N(CC(N)=O)C(C)C ZINC000040418760 213301614 /nfs/dbraw/zinc/30/16/14/213301614.db2.gz UTWZUUQVECVARF-UHFFFAOYSA-N 0 0 349.250 1.642 10 0 EDAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173436631 535249813 /nfs/dbraw/zinc/24/98/13/535249813.db2.gz SOEOPODJMSRTQC-LBPRGKRZSA-N 0 0 343.449 1.927 10 0 EDAERN O=C(c1n[nH]c2c1CCCC2)N1CCC(Nc2cccnn2)CC1 ZINC000105814722 219538539 /nfs/dbraw/zinc/53/85/39/219538539.db2.gz TVTLIEGZLWUMFL-UHFFFAOYSA-N 0 0 326.404 1.795 10 0 EDAERN Cc1c(Cl)cccc1S(=O)(=O)NCCCn1ncccc1=O ZINC000038517407 213212801 /nfs/dbraw/zinc/21/28/01/213212801.db2.gz YKWCCDCDZAPAQP-UHFFFAOYSA-N 0 0 341.820 1.574 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C)C(C)C ZINC000178719981 540111960 /nfs/dbraw/zinc/11/19/60/540111960.db2.gz KMXGPPLERLUZLX-OAHLLOKOSA-N 0 0 332.379 1.820 10 0 EDAERN CNC(=O)[C@H](NCc1nc(COc2ccc(F)cc2)no1)C(C)C ZINC000183684470 540139794 /nfs/dbraw/zinc/13/97/94/540139794.db2.gz WBHWGWGRXOGNJQ-OAHLLOKOSA-N 0 0 336.367 1.648 10 0 EDAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000186110792 540150651 /nfs/dbraw/zinc/15/06/51/540150651.db2.gz RDZXRKSOSBEGGP-ZBFHGGJFSA-N 0 0 338.473 1.558 10 0 EDAERN O=C(Nc1cc(C(F)(F)F)ccn1)N[C@@H]1CCc2ncnn2C1 ZINC000192423366 540178476 /nfs/dbraw/zinc/17/84/76/540178476.db2.gz AWWBPTNVODDLFM-SECBINFHSA-N 0 0 326.282 1.828 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000192222721 540177572 /nfs/dbraw/zinc/17/75/72/540177572.db2.gz UQVHJEYYPHUDJB-SUYBPPKGSA-N 0 0 331.416 1.087 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000193043773 540181426 /nfs/dbraw/zinc/18/14/26/540181426.db2.gz OQZNVVRMCYJZBW-CZUORRHYSA-N 0 0 346.402 1.966 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000193843558 540183603 /nfs/dbraw/zinc/18/36/03/540183603.db2.gz DASMVTFKJACOJG-LMMKCTJWSA-N 0 0 330.428 1.592 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(-c3ccco3)nc2C)C1 ZINC000185252014 235625466 /nfs/dbraw/zinc/62/54/66/235625466.db2.gz IQHLJEYHBCBYQF-UHFFFAOYSA-N 0 0 329.356 1.237 10 0 EDAERN COCC(=O)NC1CN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000185304236 235636213 /nfs/dbraw/zinc/63/62/13/235636213.db2.gz AKHNESGYRMWBIW-NSHDSACASA-N 0 0 336.363 1.008 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CCC[C@H](NC(C)=O)C2)c1 ZINC000077170252 138251741 /nfs/dbraw/zinc/25/17/41/138251741.db2.gz WSDJEBOBHUWSDT-INIZCTEOSA-N 0 0 333.432 1.302 10 0 EDAERN O=C(c1cc(Cl)ccc1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856362 138269541 /nfs/dbraw/zinc/26/95/41/138269541.db2.gz BFJFKDVVGPJABR-CYBMUJFWSA-N 0 0 328.155 1.418 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(O)c(OC)c1 ZINC000088482270 138272471 /nfs/dbraw/zinc/27/24/71/138272471.db2.gz IDXIYRIZFRFIAE-GFCCVEGCSA-N 0 0 345.403 1.889 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000088755983 138272716 /nfs/dbraw/zinc/27/27/16/138272716.db2.gz QCGNZPIETRUASA-QWHCGFSZSA-N 0 0 349.435 1.470 10 0 EDAERN O=c1ccc(S(=O)(=O)NCc2ccc(Br)s2)c[nH]1 ZINC000038018888 213191798 /nfs/dbraw/zinc/19/17/98/213191798.db2.gz JSIIVWABQVXYHA-UHFFFAOYSA-N 0 0 349.231 1.677 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](CC)CSC ZINC000091221117 138282952 /nfs/dbraw/zinc/28/29/52/138282952.db2.gz VJNGENTVVSSMGM-QWHCGFSZSA-N 0 0 336.523 1.791 10 0 EDAERN CCC1CCC(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000097000410 138296299 /nfs/dbraw/zinc/29/62/99/138296299.db2.gz DDJFGFGFRKLHRD-UHFFFAOYSA-N 0 0 346.474 1.581 10 0 EDAERN C[C@H](CO)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000098098228 138297650 /nfs/dbraw/zinc/29/76/50/138297650.db2.gz ZWLJUOANBANUKP-QMTHXVAHSA-N 0 0 333.413 1.180 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000103763077 138299324 /nfs/dbraw/zinc/29/93/24/138299324.db2.gz GYXGBQFDYLFXSA-KGLIPLIRSA-N 0 0 330.388 1.044 10 0 EDAERN CC(C)(C)OC(=O)NCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105214777 138300972 /nfs/dbraw/zinc/30/09/72/138300972.db2.gz ATLHXECACABOIN-ZDUSSCGKSA-N 0 0 326.441 1.391 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1cccnc1Cl ZINC000105798781 138301605 /nfs/dbraw/zinc/30/16/05/138301605.db2.gz FZARATVQWJTCFU-UHFFFAOYSA-N 0 0 346.822 1.676 10 0 EDAERN C[C@@H]1CN(C(=O)/C=C/c2ccnc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000120570081 138316107 /nfs/dbraw/zinc/31/61/07/138316107.db2.gz IWOROTYAQWUEDS-MZSZDEQASA-N 0 0 335.835 1.927 10 0 EDAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000120610720 138316245 /nfs/dbraw/zinc/31/62/45/138316245.db2.gz XKBNMTMOLPZCOB-CYBMUJFWSA-N 0 0 334.424 1.103 10 0 EDAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC(Cn2cccn2)CC1 ZINC000106184266 138302825 /nfs/dbraw/zinc/30/28/25/138302825.db2.gz MWKAPVHPFNALBA-LBPRGKRZSA-N 0 0 330.440 1.190 10 0 EDAERN CCN1CCc2nc(NC(=O)[C@H](NC(=O)OC)C(C)C)sc2C1 ZINC000108150852 138304711 /nfs/dbraw/zinc/30/47/11/138304711.db2.gz WPLNPLIGISQZBC-GFCCVEGCSA-N 0 0 340.449 1.840 10 0 EDAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000110227307 138306854 /nfs/dbraw/zinc/30/68/54/138306854.db2.gz RPYIPGUEVGCJBU-YCZSJOHXSA-N 0 0 329.400 1.624 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1cccc(C=O)c1)CC2 ZINC000114870717 138310776 /nfs/dbraw/zinc/31/07/76/138310776.db2.gz AQFTVJWGAJISJV-ZDUSSCGKSA-N 0 0 328.372 1.163 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCC(=O)c1ccccc1)CC2 ZINC000114871907 138310781 /nfs/dbraw/zinc/31/07/81/138310781.db2.gz UGODZUMECMJAQJ-AWEZNQCLSA-N 0 0 326.400 1.935 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(CC(C)C)[nH]c(=O)c2)n1 ZINC000121037273 138316847 /nfs/dbraw/zinc/31/68/47/138316847.db2.gz FYZYNXBXYNMJCR-CQSZACIVSA-N 0 0 346.387 1.891 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc4c(c3)COC4)CCO2)[nH]1 ZINC000123934342 138322406 /nfs/dbraw/zinc/32/24/06/138322406.db2.gz FCXXOUZQQNOBCT-CQSZACIVSA-N 0 0 329.360 1.749 10 0 EDAERN O=C(CNC(=O)OCC(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000125642668 138335266 /nfs/dbraw/zinc/33/52/66/138335266.db2.gz YJNUTOGWNYYESL-UHFFFAOYSA-N 0 0 334.298 1.404 10 0 EDAERN C[C@@H](NC(=O)Nc1cccc(C(N)=O)c1)c1nnc2n1CCCC2 ZINC000129979382 138339461 /nfs/dbraw/zinc/33/94/61/138339461.db2.gz GMUNZARNXDTVOD-SNVBAGLBSA-N 0 0 328.376 1.596 10 0 EDAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)n1 ZINC000130740866 138346736 /nfs/dbraw/zinc/34/67/36/138346736.db2.gz DSVJWGIVUGNHTQ-CZUORRHYSA-N 0 0 342.399 1.803 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)no1 ZINC000186295218 235869839 /nfs/dbraw/zinc/86/98/39/235869839.db2.gz FHUOIWQPINKZIO-RYUDHWBXSA-N 0 0 335.385 1.218 10 0 EDAERN CNC(=O)COc1cccn2cc(-c3ccc(OC)c(N)c3)nc12 ZINC000036293052 213082448 /nfs/dbraw/zinc/08/24/48/213082448.db2.gz XCAQLAGSHHCGMU-UHFFFAOYSA-N 0 0 326.356 1.717 10 0 EDAERN NC(=O)COc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000126104864 138611293 /nfs/dbraw/zinc/61/12/93/138611293.db2.gz BFBIXHYJXFLSCW-UHFFFAOYSA-N 0 0 342.399 1.300 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCCC1 ZINC000126959034 138613376 /nfs/dbraw/zinc/61/33/76/138613376.db2.gz QBHUNOCHTWTXIK-AWEZNQCLSA-N 0 0 348.451 1.149 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000171386482 138656385 /nfs/dbraw/zinc/65/63/85/138656385.db2.gz XPSJZLINVIYQPM-HUUCEWRRSA-N 0 0 336.432 1.293 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000171523500 138657577 /nfs/dbraw/zinc/65/75/77/138657577.db2.gz RMHODMMHFZFOHS-AWEZNQCLSA-N 0 0 338.367 1.514 10 0 EDAERN C[NH+](C)CCCn1c(CCNC(=O)CCC(=O)[O-])nc2ccccc21 ZINC000071482484 215782180 /nfs/dbraw/zinc/78/21/80/215782180.db2.gz REDDMFYJXUVETP-UHFFFAOYSA-N 0 0 346.431 1.512 10 0 EDAERN NC(=O)C1CCN(CC(=O)c2ccccc2Br)CC1 ZINC000034989584 213003824 /nfs/dbraw/zinc/00/38/24/213003824.db2.gz YMTFQKTZWXSHKC-UHFFFAOYSA-N 0 0 325.206 1.829 10 0 EDAERN Cn1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)ccc1=O ZINC000173925542 138677172 /nfs/dbraw/zinc/67/71/72/138677172.db2.gz OUBBKRNWMYWYEE-GXTWGEPZSA-N 0 0 349.431 1.809 10 0 EDAERN Cc1[nH]c(=O)sc1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000071553987 215786931 /nfs/dbraw/zinc/78/69/31/215786931.db2.gz HRWCFAZQHLRAFL-UHFFFAOYSA-N 0 0 341.433 1.828 10 0 EDAERN COCCCN(CCC(=O)OC)C(=O)COc1cccc(OC)c1 ZINC000071626886 215790355 /nfs/dbraw/zinc/79/03/55/215790355.db2.gz VCXKNHFTVMQKRP-UHFFFAOYSA-N 0 0 339.388 1.502 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000174679599 138686159 /nfs/dbraw/zinc/68/61/59/138686159.db2.gz YPRVPMQYJVCABV-AWEZNQCLSA-N 0 0 328.376 1.507 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCCc1nc(C2CC2)no1 ZINC000176288578 138706820 /nfs/dbraw/zinc/70/68/20/138706820.db2.gz VDUGYMJJIBMXCP-GFCCVEGCSA-N 0 0 330.392 1.821 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1ncc(C)s1)CC2 ZINC000177524434 138730626 /nfs/dbraw/zinc/73/06/26/138730626.db2.gz YWMKLKVZKDCCIH-QWRGUYRKSA-N 0 0 334.449 1.981 10 0 EDAERN CCc1cc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)ncn1 ZINC000178561394 138742810 /nfs/dbraw/zinc/74/28/10/138742810.db2.gz UNECOIPKULWHDZ-BBRMVZONSA-N 0 0 347.463 1.875 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(=O)[nH]c(C(C)C)c1)CC2 ZINC000181379207 138767538 /nfs/dbraw/zinc/76/75/38/138767538.db2.gz OWYWSDRIBYSBHN-LBPRGKRZSA-N 0 0 329.404 1.809 10 0 EDAERN Cc1cncc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000189877704 237350559 /nfs/dbraw/zinc/35/05/59/237350559.db2.gz JFRABOMCUZEMAX-LJQANCHMSA-N 0 0 341.455 1.948 10 0 EDAERN Cc1ccccc1CN(C)C(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000176575422 237344100 /nfs/dbraw/zinc/34/41/00/237344100.db2.gz YSMMGSHYFTVRLN-XMMPIXPASA-N 0 0 349.460 1.470 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)CCC(=O)c2ccccc2)n1 ZINC000183759714 138787932 /nfs/dbraw/zinc/78/79/32/138787932.db2.gz IYTZNXQGSDHCCW-AWEZNQCLSA-N 0 0 329.356 1.941 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(Cc1ccccc1)OC)CC2 ZINC000184248598 138793266 /nfs/dbraw/zinc/79/32/66/138793266.db2.gz ZCYYQLJRWVGODM-AWEZNQCLSA-N 0 0 329.404 1.929 10 0 EDAERN CCc1cnccc1C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000184329455 138793940 /nfs/dbraw/zinc/79/39/40/138793940.db2.gz UOFASZOOSYXYPY-OAHLLOKOSA-N 0 0 341.415 1.611 10 0 EDAERN CS(=O)(=O)CCN1c2cc(Br)ccc2C(=O)C1=O ZINC000037744050 213164445 /nfs/dbraw/zinc/16/44/45/213164445.db2.gz XOJXEXVDCGUFRK-UHFFFAOYSA-N 0 0 332.175 1.023 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2cc(F)ccc2F)n1 ZINC000185071495 138800781 /nfs/dbraw/zinc/80/07/81/138800781.db2.gz MMJSIXKLXSHBHR-ZDUSSCGKSA-N 0 0 338.314 1.668 10 0 EDAERN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N1CC(NC(C)=O)C1 ZINC000190152657 238254247 /nfs/dbraw/zinc/25/42/47/238254247.db2.gz XVDPIIMXCPRANN-MEBBXXQBSA-N 0 0 339.823 1.946 10 0 EDAERN Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)c(=O)[nH]2)cc1 ZINC000072451094 216240116 /nfs/dbraw/zinc/24/01/16/216240116.db2.gz VVQXLBIOCNAKTE-UHFFFAOYSA-N 0 0 341.411 1.412 10 0 EDAERN O=c1c2nnc3nc(C(F)(F)F)nn3c2ccn1-c1cccc(O)c1 ZINC000072452253 216240140 /nfs/dbraw/zinc/24/01/40/216240140.db2.gz RRUSWKZJNCNMLZ-UHFFFAOYSA-N 0 0 348.244 1.548 10 0 EDAERN CCOC(=O)c1cnn2c1nnc1c2ccn(-c2cccc(C)c2)c1=O ZINC000072466167 216247998 /nfs/dbraw/zinc/24/79/98/216247998.db2.gz JPERVGSCECWLAP-UHFFFAOYSA-N 0 0 349.350 1.914 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CO)Cc1cccc(C)c1 ZINC000190243086 238326456 /nfs/dbraw/zinc/32/64/56/238326456.db2.gz TVWOVZLLZCEGHS-JKSUJKDBSA-N 0 0 343.431 1.633 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000131029405 223197610 /nfs/dbraw/zinc/19/76/10/223197610.db2.gz SRTUDDTXOPRTJB-PHIMTYICSA-N 0 0 344.408 1.325 10 0 EDAERN CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N(CC)CC)cc21 ZINC000072616251 216282030 /nfs/dbraw/zinc/28/20/30/216282030.db2.gz NZGCUYMGCPAABF-UHFFFAOYSA-N 0 0 332.404 1.586 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CC[C@H](N3CCOCC3)C2)cc1O ZINC000187313897 138825641 /nfs/dbraw/zinc/82/56/41/138825641.db2.gz UHUPSOLNTVPPNY-UJAVWCLSSA-N 0 0 332.400 1.347 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000187724008 138828676 /nfs/dbraw/zinc/82/86/76/138828676.db2.gz HEWAOAAIZKTOQY-ZDUSSCGKSA-N 0 0 337.401 1.703 10 0 EDAERN Cc1ccc(-c2nc(CC(=O)N3CCCNC(=O)[C@H]3C)cs2)o1 ZINC000188857014 138853899 /nfs/dbraw/zinc/85/38/99/138853899.db2.gz CRMZRJIJNKFQLK-LLVKDONJSA-N 0 0 333.413 1.991 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)CC1(CO)CC1)C(C)C ZINC000189143174 138862444 /nfs/dbraw/zinc/86/24/44/138862444.db2.gz PUSCJNIFWIMHGW-MRXNPFEDSA-N 0 0 332.444 1.980 10 0 EDAERN CCOc1ccc(C(=O)NCCCn2ncccc2=O)cc1OCC ZINC000023241774 212362963 /nfs/dbraw/zinc/36/29/63/212362963.db2.gz JPADCEWABOSIKJ-UHFFFAOYSA-N 0 0 345.399 1.861 10 0 EDAERN COc1ccccc1N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 ZINC000215985331 241156454 /nfs/dbraw/zinc/15/64/54/241156454.db2.gz ZDQIBIUDSQSSJJ-QGZVFWFLSA-N 0 0 325.412 1.871 10 0 EDAERN COC[C@@H]1[C@@H](NC(=O)c2c(C)nn3c2nc(C)cc3C)[C@@H]2CCO[C@H]12 ZINC000220618938 241449179 /nfs/dbraw/zinc/44/91/79/241449179.db2.gz SGCJLNVXJFBIFT-XRGAULLZSA-N 0 0 344.415 1.434 10 0 EDAERN O=S(=O)(N[C@@H]1COc2ccccc21)c1cnn(C2CCOCC2)c1 ZINC000132791893 223362872 /nfs/dbraw/zinc/36/28/72/223362872.db2.gz XAPYSBQGHMJDTI-OAHLLOKOSA-N 0 0 349.412 1.647 10 0 EDAERN CCC[C@]1(C)C(=O)NCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000189835916 138881592 /nfs/dbraw/zinc/88/15/92/138881592.db2.gz UCFRRIMBSFWANL-SCLBCKFNSA-N 0 0 346.431 1.714 10 0 EDAERN NNc1nnc(SCC(=O)Nc2cccc3ccccc32)n1N ZINC000021035219 212202025 /nfs/dbraw/zinc/20/20/25/212202025.db2.gz WKMOIYUOVCNGKF-UHFFFAOYSA-N 0 0 329.389 1.162 10 0 EDAERN O=C(C=Cc1ccc(Br)cc1)Nc1c[nH]c(=O)[nH]c1=O ZINC000021027078 212200550 /nfs/dbraw/zinc/20/05/50/212200550.db2.gz DVGUTDIXNQMFHQ-ZZXKWVIFSA-N 0 0 336.145 1.478 10 0 EDAERN CNC(=O)[C@@H]1CCC[C@]12CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000248037409 243509203 /nfs/dbraw/zinc/50/92/03/243509203.db2.gz SSPMFZJPHROVTQ-DOTOQJQBSA-N 0 0 336.457 1.922 10 0 EDAERN O=C(NCc1cccc2c1OCCCO2)N[C@H]1CCc2ncnn2C1 ZINC000133854563 223451960 /nfs/dbraw/zinc/45/19/60/223451960.db2.gz HAVFYEOCJLKKHK-ZDUSSCGKSA-N 0 0 343.387 1.254 10 0 EDAERN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CC(=O)OC)cc1 ZINC000020114084 212102969 /nfs/dbraw/zinc/10/29/69/212102969.db2.gz NEQLWYJHTIHXIE-SNVBAGLBSA-N 0 0 328.390 1.265 10 0 EDAERN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000193615919 138973778 /nfs/dbraw/zinc/97/37/78/138973778.db2.gz SLVGLSJHWZCJFX-QGZVFWFLSA-N 0 0 336.436 1.812 10 0 EDAERN Cc1cc(N2CCN(Cc3nnnn3C(C)C)CC2)nc(C(C)C)n1 ZINC000195040790 139005497 /nfs/dbraw/zinc/00/54/97/139005497.db2.gz XTKLFAFIIDONGX-UHFFFAOYSA-N 0 0 344.467 1.798 10 0 EDAERN Oc1ccc(N2CCN(Cc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000195513710 139018694 /nfs/dbraw/zinc/01/86/94/139018694.db2.gz XRBTYXCSQODXGB-UHFFFAOYSA-N 0 0 344.415 1.991 10 0 EDAERN COc1ccccc1C1(CNS(=O)(=O)C2CC2)CCOCC1 ZINC000049520779 214014319 /nfs/dbraw/zinc/01/43/19/214014319.db2.gz DZBZWGSGRWDJPM-UHFFFAOYSA-N 0 0 325.430 1.825 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)NCc1cccs1 ZINC000195519759 139019382 /nfs/dbraw/zinc/01/93/82/139019382.db2.gz DNVAZNGEEVDHPM-NSHDSACASA-N 0 0 341.458 1.584 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1cccc(F)c1 ZINC000195519773 139019546 /nfs/dbraw/zinc/01/95/46/139019546.db2.gz IHWNOVWLGPJBCE-UHFFFAOYSA-N 0 0 325.365 1.596 10 0 EDAERN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176099540 284299490 /nfs/dbraw/zinc/29/94/90/284299490.db2.gz JRYAGBOPEXCIGF-NSHDSACASA-N 0 0 337.742 1.660 10 0 EDAERN C[C@@H]1CN(C(=O)CCCC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000018120895 211982692 /nfs/dbraw/zinc/98/26/92/211982692.db2.gz YRXPLPXNUMTZMG-ZQDZILKHSA-N 0 0 326.437 1.428 10 0 EDAERN O=C(CNC(=O)c1cccs1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135288186 223566037 /nfs/dbraw/zinc/56/60/37/223566037.db2.gz YOAPUSVZCISUCM-GFCCVEGCSA-N 0 0 345.428 1.053 10 0 EDAERN COc1c(F)cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1F ZINC000078995128 217169246 /nfs/dbraw/zinc/16/92/46/217169246.db2.gz ZOQXZXHLLCMVAD-RNCFNFMXSA-N 0 0 342.342 1.579 10 0 EDAERN CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccc(OC)cc2OC)n1 ZINC000237024457 139038331 /nfs/dbraw/zinc/03/83/31/139038331.db2.gz VMPOXFHZHBOBDB-NOZJJQNGSA-N 0 0 333.392 1.801 10 0 EDAERN CCO[C@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111077239 220096635 /nfs/dbraw/zinc/09/66/35/220096635.db2.gz CHAIDPPVDPFOHL-IRXDYDNUSA-N 0 0 329.400 1.888 10 0 EDAERN O=C(c1ccn(-c2ccccc2)n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111079675 220097070 /nfs/dbraw/zinc/09/70/70/220097070.db2.gz ALVYQPIFAGOYAZ-MRXNPFEDSA-N 0 0 337.383 1.610 10 0 EDAERN Cc1ccc(OCC(=O)N2CCO[C@@H](Cn3cccn3)C2)c(C)c1 ZINC000111085595 220097436 /nfs/dbraw/zinc/09/74/36/220097436.db2.gz WVDBNTVPPXKXPM-MRXNPFEDSA-N 0 0 329.400 1.806 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)s1 ZINC000111081222 220097502 /nfs/dbraw/zinc/09/75/02/220097502.db2.gz CLADMQGIIXFXTP-ZDUSSCGKSA-N 0 0 348.428 1.122 10 0 EDAERN Cc1cccc(CNC(=O)CN2CCCN(c3cccnn3)CC2)c1 ZINC000111227192 220115032 /nfs/dbraw/zinc/11/50/32/220115032.db2.gz CIKGLXSUSPPTTR-UHFFFAOYSA-N 0 0 339.443 1.614 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 ZINC000111344912 220142402 /nfs/dbraw/zinc/14/24/02/220142402.db2.gz RBUBWOKBUOGVQJ-HNNXBMFYSA-N 0 0 335.429 1.590 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111426160 220153588 /nfs/dbraw/zinc/15/35/88/220153588.db2.gz TXAUVRNSQGULKS-OAHLLOKOSA-N 0 0 328.372 1.058 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc2cccnc21 ZINC000081074033 217357601 /nfs/dbraw/zinc/35/76/01/217357601.db2.gz SQUWHWRALKVOLC-CYBMUJFWSA-N 0 0 343.412 1.948 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCCc3cnn(C)c3)C2)c1 ZINC000111851958 220207588 /nfs/dbraw/zinc/20/75/88/220207588.db2.gz FIFBWZJOOBREFV-MRXNPFEDSA-N 0 0 330.436 1.904 10 0 EDAERN O=C(NCc1nccn1C(F)F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111850167 220207960 /nfs/dbraw/zinc/20/79/60/220207960.db2.gz LOKTYHWFKTXGAF-LLVKDONJSA-N 0 0 340.334 1.085 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCCN3C(=O)CCC3=O)C2)c1 ZINC000111859289 220210976 /nfs/dbraw/zinc/21/09/76/220210976.db2.gz GPHRKLDMGCSHGH-CQSZACIVSA-N 0 0 347.419 1.077 10 0 EDAERN COC(=O)[C@H](c1ccccc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000245453438 139075457 /nfs/dbraw/zinc/07/54/57/139075457.db2.gz RDCAHKVMQNTQEZ-CJNGLKHVSA-N 0 0 333.363 1.637 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(-c4ccco4)on3)CCO2)c1 ZINC000112066946 220237763 /nfs/dbraw/zinc/23/77/63/220237763.db2.gz ZPOWKXDLLAESRD-CYBMUJFWSA-N 0 0 342.355 1.981 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](CC)[C@H]3CCCO3)CCO2)[nH]1 ZINC000245619223 139081312 /nfs/dbraw/zinc/08/13/12/139081312.db2.gz AZEZDSKYHNACSC-UPJWGTAASA-N 0 0 337.424 1.408 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3cnn(C)c3)CC2)n1 ZINC000112122577 220247451 /nfs/dbraw/zinc/24/74/51/220247451.db2.gz ZAKFLSQDPAPMGU-LLVKDONJSA-N 0 0 333.396 1.276 10 0 EDAERN CCSCC[C@H](C)NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246076356 139093929 /nfs/dbraw/zinc/09/39/29/139093929.db2.gz DHDSHVOTWDRLHI-KKUMJFAQSA-N 0 0 329.510 1.880 10 0 EDAERN CS(=O)(=O)N1CCC[C@H](CN2CCO[C@@H](c3nccs3)C2)C1 ZINC000246179812 139097937 /nfs/dbraw/zinc/09/79/37/139097937.db2.gz HAFUNASGXKMVGH-CHWSQXEVSA-N 0 0 345.490 1.188 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C12CCC2 ZINC000246559180 139112931 /nfs/dbraw/zinc/11/29/31/139112931.db2.gz DLUCAHZJTXLSIM-ARFHVFGLSA-N 0 0 345.443 1.730 10 0 EDAERN C[C@@H](NC(=O)CCCCC(=O)N[C@@H](C)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000246986672 139129795 /nfs/dbraw/zinc/12/97/95/139129795.db2.gz ARSALDAAVDLTFL-QKPAOTATSA-N 0 0 340.464 1.914 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C[C@@H]1C ZINC000247115128 139136141 /nfs/dbraw/zinc/13/61/41/139136141.db2.gz ZPJIBMXWZCNCHP-RYUDHWBXSA-N 0 0 349.406 1.238 10 0 EDAERN Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)Nc3ccccc3)CCO2)c1 ZINC000247390047 139146979 /nfs/dbraw/zinc/14/69/79/139146979.db2.gz WZMAYOYRXTYLCX-WBVHZDCISA-N 0 0 328.416 1.920 10 0 EDAERN C[C@@H](CNC(=O)c1cccnc1OCC(F)F)N1CCOCC1 ZINC000089707947 217831090 /nfs/dbraw/zinc/83/10/90/217831090.db2.gz NRAOLRKSJHARGK-NSHDSACASA-N 0 0 329.347 1.176 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000247848782 139155341 /nfs/dbraw/zinc/15/53/41/139155341.db2.gz QHNHTUDBQLDSIU-INIZCTEOSA-N 0 0 327.384 1.969 10 0 EDAERN O=S(=O)(CCCOc1ccc2c(c1)OCO2)NC[C@H]1CCCO1 ZINC000012440669 211382875 /nfs/dbraw/zinc/38/28/75/211382875.db2.gz PVSAGWLBLGSVPV-CYBMUJFWSA-N 0 0 343.401 1.283 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000091780658 218065201 /nfs/dbraw/zinc/06/52/01/218065201.db2.gz GOIGOUQVKZOBJD-GFCCVEGCSA-N 0 0 346.305 1.231 10 0 EDAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000092228500 218127168 /nfs/dbraw/zinc/12/71/68/218127168.db2.gz JWUGJJFBRDWHKW-NSHDSACASA-N 0 0 332.187 1.118 10 0 EDAERN COCCN1CCN(C(=O)NCCC[C@H]2CCCCO2)C[C@H]1C ZINC000248893771 139179633 /nfs/dbraw/zinc/17/96/33/139179633.db2.gz UCKXPADHMMYYDB-HZPDHXFCSA-N 0 0 327.469 1.698 10 0 EDAERN CN1CCN(c2ncc(CN3CCCC[C@@H]3c3cn[nH]c3)cn2)CC1 ZINC000093438292 218226552 /nfs/dbraw/zinc/22/65/52/218226552.db2.gz HNDKMVWHIMMKEG-QGZVFWFLSA-N 0 0 341.463 1.679 10 0 EDAERN C[C@H]1CN(C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000249108085 139185985 /nfs/dbraw/zinc/18/59/85/139185985.db2.gz LEVGOFLNJLFCGJ-WCQYABFASA-N 0 0 330.222 1.910 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000249187385 139188772 /nfs/dbraw/zinc/18/87/72/139188772.db2.gz YMDJFSJRJLZKIR-RDJZCZTQSA-N 0 0 345.443 1.409 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C[S@@](=O)c2ncc(F)cn2)C1 ZINC000095084360 218276018 /nfs/dbraw/zinc/27/60/18/218276018.db2.gz WFZYVGFDWUDRNP-STFLBKPXSA-N 0 0 329.397 1.980 10 0 EDAERN CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 ZINC000009206632 211052933 /nfs/dbraw/zinc/05/29/33/211052933.db2.gz IAPLIZFBFBGODF-JTQLQIEISA-N 0 0 343.474 1.986 10 0 EDAERN CN(C(=O)OC(C)(C)C)C1CCN(CC(=O)c2cnccn2)CC1 ZINC000095074620 218271715 /nfs/dbraw/zinc/27/17/15/218271715.db2.gz MIQQXBVHRULCJO-UHFFFAOYSA-N 0 0 334.420 1.991 10 0 EDAERN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCCO[C@H]1C ZINC000250746487 139201309 /nfs/dbraw/zinc/20/13/09/139201309.db2.gz QZPPTBOOWTXMBP-MJBXVCDLSA-N 0 0 328.478 1.865 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1CCN(C)C1=O)C(C)C ZINC000152488007 223972973 /nfs/dbraw/zinc/97/29/73/223972973.db2.gz GBLXJHRHTNCRMP-GJZGRUSLSA-N 0 0 331.416 1.096 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)SC)ncn1 ZINC000129117530 533051295 /nfs/dbraw/zinc/05/12/95/533051295.db2.gz GNPZIIXCXRZRSK-RYUDHWBXSA-N 0 0 338.481 1.538 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(F)cc(Br)c1 ZINC000112647121 220362197 /nfs/dbraw/zinc/36/21/97/220362197.db2.gz NWQHNWAVCOBJKM-LLVKDONJSA-N 0 0 339.168 1.925 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000112652544 220363696 /nfs/dbraw/zinc/36/36/96/220363696.db2.gz ODCKSLOZEHNORC-GFCCVEGCSA-N 0 0 342.790 1.862 10 0 EDAERN CC1CCN(c2ccc(C(=O)N[C@@H]3CCc4ncnn4C3)cn2)CC1 ZINC000112650308 220364381 /nfs/dbraw/zinc/36/43/81/220364381.db2.gz IWGQDLPCSKTNIF-OAHLLOKOSA-N 0 0 340.431 1.654 10 0 EDAERN COc1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccc1OC(F)F ZINC000112653786 220365960 /nfs/dbraw/zinc/36/59/60/220365960.db2.gz WNAWOENNLBPNTB-JTQLQIEISA-N 0 0 338.314 1.633 10 0 EDAERN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112659818 220366653 /nfs/dbraw/zinc/36/66/53/220366653.db2.gz LHRXZHDVUFYYQT-OCCSQVGLSA-N 0 0 328.372 1.379 10 0 EDAERN CC(C)NC(=O)Nc1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112657874 220367186 /nfs/dbraw/zinc/36/71/86/220367186.db2.gz JGHRBSZBJUCYRY-AWEZNQCLSA-N 0 0 342.403 1.553 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(NC(=O)C2CC2)c1 ZINC000112661051 220367443 /nfs/dbraw/zinc/36/74/43/220367443.db2.gz WHGUZJOIXUNMJD-CQSZACIVSA-N 0 0 325.372 1.371 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCc3ccncc3)CC2)cn1 ZINC000112739267 220391425 /nfs/dbraw/zinc/39/14/25/220391425.db2.gz ZEQREEICDHXAJI-UHFFFAOYSA-N 0 0 342.447 1.716 10 0 EDAERN CCC[C@H](C)CS(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000113292617 220515285 /nfs/dbraw/zinc/51/52/85/220515285.db2.gz GODZOPLUGRVIAL-DZGCQCFKSA-N 0 0 329.466 1.658 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc(C(F)(F)F)c1 ZINC000113298752 220519082 /nfs/dbraw/zinc/51/90/82/220519082.db2.gz XVPCQLSPLLODJK-JTQLQIEISA-N 0 0 346.334 1.590 10 0 EDAERN C[C@H](O)C[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000153769970 224155235 /nfs/dbraw/zinc/15/52/35/224155235.db2.gz RGIOBOFFEREJFP-NUEKZKHPSA-N 0 0 343.431 1.447 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)CC2 ZINC000114863124 220768778 /nfs/dbraw/zinc/76/87/78/220768778.db2.gz URXNYTHWNOIBFX-QWRGUYRKSA-N 0 0 347.444 1.152 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc31)CC2 ZINC000114867687 220771071 /nfs/dbraw/zinc/77/10/71/220771071.db2.gz MNNSLTSIYFWEPQ-NSHDSACASA-N 0 0 337.383 1.839 10 0 EDAERN COc1ccc(-c2ccncc2)cc1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000186884660 533185529 /nfs/dbraw/zinc/18/55/29/533185529.db2.gz AZSWIZUIPOLUTF-DOTOQJQBSA-N 0 0 325.368 1.586 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)CC2 ZINC000114906418 220775082 /nfs/dbraw/zinc/77/50/82/220775082.db2.gz MHUFQEZFKTWHND-SNVBAGLBSA-N 0 0 346.366 1.215 10 0 EDAERN COC(=O)[C@H](C)CS(=O)(=O)Nc1ccccc1Br ZINC000177830507 533188365 /nfs/dbraw/zinc/18/83/65/533188365.db2.gz MWZTYYFMXVTDEN-MRVPVSSYSA-N 0 0 336.207 2.000 10 0 EDAERN COCCOc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccn1 ZINC000180271388 533206563 /nfs/dbraw/zinc/20/65/63/533206563.db2.gz NWKYRVDHWRKABM-CQSZACIVSA-N 0 0 331.376 1.176 10 0 EDAERN O=C(COCC(=O)N1CCC[C@@H]1c1ccco1)NCc1cccnc1 ZINC000116210379 220941758 /nfs/dbraw/zinc/94/17/58/220941758.db2.gz QBLMCADTQRRAHH-OAHLLOKOSA-N 0 0 343.383 1.671 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2)C[C@H]1CC ZINC000116899274 221008505 /nfs/dbraw/zinc/00/85/05/221008505.db2.gz SBWCQKIVWRRCAB-OAHLLOKOSA-N 0 0 326.462 1.808 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2F)CCN1CCOC ZINC000117371866 221058175 /nfs/dbraw/zinc/05/81/75/221058175.db2.gz FUJWTANPWSJVHY-AWEZNQCLSA-N 0 0 344.452 1.865 10 0 EDAERN COCCN1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C[C@@H]1C ZINC000117425342 221060820 /nfs/dbraw/zinc/06/08/20/221060820.db2.gz AZLPXESOEUYPQM-DLBZAZTESA-N 0 0 345.487 1.612 10 0 EDAERN COCCN1CCN(C(=O)NCCN(C)c2ccccc2)C[C@@H]1C ZINC000117472898 221066346 /nfs/dbraw/zinc/06/63/46/221066346.db2.gz FHKYLBMONBUOSR-INIZCTEOSA-N 0 0 334.464 1.485 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000117522480 221074772 /nfs/dbraw/zinc/07/47/72/221074772.db2.gz CIECCWCOMGIVGL-NSHDSACASA-N 0 0 341.358 1.082 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2nncn2-c2ccccc2)c1 ZINC000118061457 221111014 /nfs/dbraw/zinc/11/10/14/221111014.db2.gz GOLQUVYXIZRKTM-UHFFFAOYSA-N 0 0 325.376 1.272 10 0 EDAERN CCCCOCC(=O)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000118334097 221141060 /nfs/dbraw/zinc/14/10/60/221141060.db2.gz SOICMNPOVUNBMW-UHFFFAOYSA-N 0 0 336.436 1.649 10 0 EDAERN CO[C@H](C(=O)N[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000118668972 221166752 /nfs/dbraw/zinc/16/67/52/221166752.db2.gz UKWPNFDCBCNEQL-RDJZCZTQSA-N 0 0 326.400 1.949 10 0 EDAERN COc1ccc(OC)c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000118674573 221168257 /nfs/dbraw/zinc/16/82/57/221168257.db2.gz BHYSCBWIKUSPFV-CYBMUJFWSA-N 0 0 342.399 1.893 10 0 EDAERN CCc1ncc(NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000119203821 221264664 /nfs/dbraw/zinc/26/46/64/221264664.db2.gz RYEGUOYMZUFFRU-CQSZACIVSA-N 0 0 341.419 1.962 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000119574233 221351713 /nfs/dbraw/zinc/35/17/13/221351713.db2.gz QRKCUEWVLFGPSO-JKSUJKDBSA-N 0 0 348.447 1.939 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(Cl)c1F ZINC000119606820 221358565 /nfs/dbraw/zinc/35/85/65/221358565.db2.gz PKJWVPIESDZHHX-SNVBAGLBSA-N 0 0 331.775 1.294 10 0 EDAERN CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119629140 221363856 /nfs/dbraw/zinc/36/38/56/221363856.db2.gz JCQWKMMHMIFDBF-HNNXBMFYSA-N 0 0 338.415 1.922 10 0 EDAERN CCSCC[C@H](C)NC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000119661136 221369512 /nfs/dbraw/zinc/36/95/12/221369512.db2.gz QGMOQYJUAAHJMI-NWDGAFQWSA-N 0 0 341.481 1.982 10 0 EDAERN COCCOc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000171883399 533228284 /nfs/dbraw/zinc/22/82/84/533228284.db2.gz UDSBGNZEVDELMG-KRWDZBQOSA-N 0 0 345.399 1.450 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc2onc(C)c2c1 ZINC000155184855 224373109 /nfs/dbraw/zinc/37/31/09/224373109.db2.gz VPYHLKCOMXHFSY-GFCCVEGCSA-N 0 0 342.359 1.534 10 0 EDAERN O=C(c1cscn1)N1CC[C@@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000247846283 257677578 /nfs/dbraw/zinc/67/75/78/257677578.db2.gz HFMRNWQYTAWSFB-LRDDRELGSA-N 0 0 335.429 1.529 10 0 EDAERN COc1cccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)c1 ZINC000175007238 533418239 /nfs/dbraw/zinc/41/82/39/533418239.db2.gz QKCRALPOPOYGFS-HNNXBMFYSA-N 0 0 342.399 1.663 10 0 EDAERN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ncc(Br)cc1F ZINC000187321652 533423191 /nfs/dbraw/zinc/42/31/91/533423191.db2.gz TUNZRMBAWDDEFK-MWLCHTKSSA-N 0 0 332.217 1.964 10 0 EDAERN COc1cccc(OC)c1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000132004428 533621703 /nfs/dbraw/zinc/62/17/03/533621703.db2.gz GIGLHYOAEQRCGY-CYBMUJFWSA-N 0 0 330.388 1.848 10 0 EDAERN COc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 ZINC000054056332 132189140 /nfs/dbraw/zinc/18/91/40/132189140.db2.gz YHRJKNWBTHGJIQ-UHFFFAOYSA-N 0 0 347.802 1.999 10 0 EDAERN CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000071447464 132814365 /nfs/dbraw/zinc/81/43/65/132814365.db2.gz WEGQNRNUFBSNJN-GFCCVEGCSA-N 0 0 338.429 1.995 10 0 EDAERN CN(C)c1noc([C@@H]2CCCN(C(=O)C[C@@H]3CCCCNC3=O)C2)n1 ZINC000329340237 140709854 /nfs/dbraw/zinc/70/98/54/140709854.db2.gz ODQRFBDDFZSETC-QWHCGFSZSA-N 0 0 349.435 1.988 10 0 EDAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000330228134 140820009 /nfs/dbraw/zinc/82/00/09/140820009.db2.gz VFIHUHIQVCCJFD-DGCLKSJQSA-N 0 0 342.359 1.262 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CC[C@H](C)S(=O)(=O)CC3)c2)n[nH]1 ZINC000330275569 140826390 /nfs/dbraw/zinc/82/63/90/140826390.db2.gz LROGBXDIHLMAPU-NSHDSACASA-N 0 0 348.428 1.429 10 0 EDAERN C[C@H]1OCC[C@@]12CN(C(=O)NCCC1CCOCC1)C[C@@H](C)O2 ZINC000333148574 141272053 /nfs/dbraw/zinc/27/20/53/141272053.db2.gz AFWKDEQOKZAUPT-CKEIUWERSA-N 0 0 326.437 1.781 10 0 EDAERN Cn1cncc1[C@H]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)CCO1 ZINC000333422630 141315565 /nfs/dbraw/zinc/31/55/65/141315565.db2.gz IRMNWPASYJZCDE-SWLSCSKDSA-N 0 0 340.387 1.352 10 0 EDAERN COCC1(S(=O)(=O)N2CCC[C@H](Cc3nccn3C)C2)CC1 ZINC000333461835 141320900 /nfs/dbraw/zinc/32/09/00/141320900.db2.gz UUBXXWSWJVKTHY-CYBMUJFWSA-N 0 0 327.450 1.183 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCN(Cc2ccon2)CC1 ZINC000333571737 141338728 /nfs/dbraw/zinc/33/87/28/141338728.db2.gz UEZARMMRYASPIH-NVXWUHKLSA-N 0 0 334.464 1.972 10 0 EDAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000333731995 141368081 /nfs/dbraw/zinc/36/80/81/141368081.db2.gz PUNSBWGZZZJRGB-HIFRSBDPSA-N 0 0 345.451 1.525 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c2cccnc12 ZINC000113299109 292183403 /nfs/dbraw/zinc/18/34/03/292183403.db2.gz LLXATRYTAVWVTQ-GFCCVEGCSA-N 0 0 343.412 1.428 10 0 EDAERN C[C@@H](CC(=O)Nc1ccc(N2CCOCC2)cn1)N1CCCCC1=O ZINC000188985130 148953714 /nfs/dbraw/zinc/95/37/14/148953714.db2.gz WAFKYDIPEZBXJH-AWEZNQCLSA-N 0 0 346.431 1.648 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](C)CS(C)(=O)=O)C12CCCC2 ZINC000176891935 286323983 /nfs/dbraw/zinc/32/39/83/286323983.db2.gz SHZZLQICNKJFFN-MELADBBJSA-N 0 0 331.478 1.863 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)Nc2nnc(C)s2)C12CCOCC2 ZINC000185935019 286483518 /nfs/dbraw/zinc/48/35/18/286483518.db2.gz AKAQWSFRINFPRQ-MNOVXSKESA-N 0 0 326.422 1.942 10 0 EDAERN CCCC(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000081449943 287313042 /nfs/dbraw/zinc/31/30/42/287313042.db2.gz JMFHEPYIRODZGB-OLZOCXBDSA-N 0 0 326.437 1.966 10 0 EDAERN C[S@@](=O)CCn1c(=O)[nH]c(Cl)c(-c2ccccc2F)c1=O ZINC000159676355 225258330 /nfs/dbraw/zinc/25/83/30/225258330.db2.gz PHUUBLMDPNMPBK-NRFANRHFSA-N 0 0 330.768 1.375 10 0 EDAERN C[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(CO)cc1Br ZINC000160732297 225463130 /nfs/dbraw/zinc/46/31/30/225463130.db2.gz PJSMVAXAAFCEFE-SCZZXKLOSA-N 0 0 334.235 1.876 10 0 EDAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCCn2ncnc21 ZINC000122164868 287377836 /nfs/dbraw/zinc/37/78/36/287377836.db2.gz MDJDPGKRMBYFOA-DGCLKSJQSA-N 0 0 345.382 1.225 10 0 EDAERN Cc1ccc(Br)c(NCC(=O)N2CCN(C)CC2)c1 ZINC000163935072 226031736 /nfs/dbraw/zinc/03/17/36/226031736.db2.gz SEOQMFHTIIGPHQ-UHFFFAOYSA-N 0 0 326.238 1.943 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)c(F)c1 ZINC000163824895 226020659 /nfs/dbraw/zinc/02/06/59/226020659.db2.gz AYWLVSBTGYFXIE-IYYTYJHQSA-N 0 0 327.331 1.358 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)c1cc(N)cc(Br)c1 ZINC000165270158 226117839 /nfs/dbraw/zinc/11/78/39/226117839.db2.gz ZAPZPVLESHNLRW-NSHDSACASA-N 0 0 327.178 1.809 10 0 EDAERN Cc1c(N)cn(CC(=O)NCCC(C)C)c(=O)c1Br ZINC000165382510 226123877 /nfs/dbraw/zinc/12/38/77/226123877.db2.gz IPOGFSQDSRYOFU-UHFFFAOYSA-N 0 0 330.226 1.664 10 0 EDAERN Cc1c(N)cnc(N2CCC[C@@H]2C(=O)N(C)C)c1Br ZINC000165474187 226124186 /nfs/dbraw/zinc/12/41/86/226124186.db2.gz AKQRIYRUUREQTC-SNVBAGLBSA-N 0 0 327.226 1.792 10 0 EDAERN Cc1c(N)cnc(N[C@@H](C)C(=O)N2CCOCC2)c1Br ZINC000165617086 226130136 /nfs/dbraw/zinc/13/01/36/226130136.db2.gz WBZZUCJEMFOOHQ-VIFPVBQESA-N 0 0 343.225 1.394 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N2CCC[C@H](O)C2)c1Cl ZINC000165884441 226140645 /nfs/dbraw/zinc/14/06/45/226140645.db2.gz CYWCNUFVVZTIJB-ZETCQYMHSA-N 0 0 325.217 1.721 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2N)CC[C@@H]1O ZINC000165985962 226143353 /nfs/dbraw/zinc/14/33/53/226143353.db2.gz HMRYBNSRFZFHEC-KWQFWETISA-N 0 0 349.250 1.423 10 0 EDAERN O=c1c(I)c(Cl)ncn1CCCCO ZINC000166344891 226154359 /nfs/dbraw/zinc/15/43/59/226154359.db2.gz FFPNTSBDSPIHFW-UHFFFAOYSA-N 0 0 328.537 1.274 10 0 EDAERN Nc1ccc(NC(=O)[C@@H]2CCCCS2(=O)=O)cc1Br ZINC000167855923 226202297 /nfs/dbraw/zinc/20/22/97/226202297.db2.gz ZERTVELHRPAAJP-NSHDSACASA-N 0 0 347.234 1.937 10 0 EDAERN Nc1cn(Cc2ccc(Br)cc2Cl)c(=O)[nH]c1=O ZINC000168112919 226208357 /nfs/dbraw/zinc/20/83/57/226208357.db2.gz DTZDEBMSFOELHO-UHFFFAOYSA-N 0 0 330.569 1.583 10 0 EDAERN O=C(NC1CC1)[C@@H]1COCCN1Cc1ccc(Br)cn1 ZINC000168426800 226215367 /nfs/dbraw/zinc/21/53/67/226215367.db2.gz DJUFTBBSHMFYIS-ZDUSSCGKSA-N 0 0 340.221 1.324 10 0 EDAERN O=C1CN(Cc2cncc(Br)c2)C(=O)[C@H]2CCCCN12 ZINC000168454383 226215384 /nfs/dbraw/zinc/21/53/84/226215384.db2.gz YQPMHIZMRONPAF-GFCCVEGCSA-N 0 0 338.205 1.567 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCC(CO)CC2)C1 ZINC000124956916 287401811 /nfs/dbraw/zinc/40/18/11/287401811.db2.gz PAJZLVJWJYBQIS-ZIAGYGMSSA-N 0 0 326.437 1.911 10 0 EDAERN O=C(CCCS(=O)(=O)N1CCCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000120463585 221585570 /nfs/dbraw/zinc/58/55/70/221585570.db2.gz QWAYSZHWPCSTMW-HUUCEWRRSA-N 0 0 344.477 1.362 10 0 EDAERN CCOc1cc(C)ccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000122043726 222003037 /nfs/dbraw/zinc/00/30/37/222003037.db2.gz INDFYGGIMVFJFZ-AWEZNQCLSA-N 0 0 329.404 1.799 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccccc1O ZINC000122567496 222113716 /nfs/dbraw/zinc/11/37/16/222113716.db2.gz WHPVVKNYTZFVIP-ZDUSSCGKSA-N 0 0 345.403 1.507 10 0 EDAERN COCCOc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000122308171 222058064 /nfs/dbraw/zinc/05/80/64/222058064.db2.gz BRDQNFXAIWHVPB-GOSISDBHSA-N 0 0 331.416 1.809 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000122373296 222074930 /nfs/dbraw/zinc/07/49/30/222074930.db2.gz AQSXMNHCYPQQIL-MFKMUULPSA-N 0 0 346.435 1.801 10 0 EDAERN Cc1c(C(=O)N2CCC[C@H](Cn3cncn3)C2)cnn1CC(C)C ZINC000123777632 222329750 /nfs/dbraw/zinc/32/97/50/222329750.db2.gz LEBVUJYSLCLBDG-HNNXBMFYSA-N 0 0 330.436 1.991 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1sccc1OC ZINC000124202208 222389967 /nfs/dbraw/zinc/38/99/67/222389967.db2.gz CVTSABPQPDCBAC-SECBINFHSA-N 0 0 342.446 1.724 10 0 EDAERN C[C@]1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCS(=O)(=O)C1 ZINC000171738010 227257641 /nfs/dbraw/zinc/25/76/41/227257641.db2.gz GBBUNFFCUGFVDQ-HFAKWTLXSA-N 0 0 329.368 1.762 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCC(=O)N3CCCCC3)C2)c1 ZINC000171900990 227350013 /nfs/dbraw/zinc/35/00/13/227350013.db2.gz IQZNDDCENFXHSU-HNNXBMFYSA-N 0 0 333.436 1.551 10 0 EDAERN Cc1nccn1C[C@H](C)CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171905692 227351984 /nfs/dbraw/zinc/35/19/84/227351984.db2.gz LBOBZGKRMRZPOM-GDBMZVCRSA-N 0 0 346.435 1.135 10 0 EDAERN CC(C)Oc1cc(CNC(=O)NC[C@@H](C)N2CCOCC2)ccn1 ZINC000151804639 287601578 /nfs/dbraw/zinc/60/15/78/287601578.db2.gz SMPRCMJGCDFURZ-CQSZACIVSA-N 0 0 336.436 1.389 10 0 EDAERN Cc1cc(CCNC(=O)N[C@@H]2CCCn3ncnc32)cc(C)c1O ZINC000189881048 272970023 /nfs/dbraw/zinc/97/00/23/272970023.db2.gz XYOQKIHTWQHLOG-CQSZACIVSA-N 0 0 329.404 1.977 10 0 EDAERN C[C@@H](NC(=O)N1CCN(C(=O)c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000194130268 273000645 /nfs/dbraw/zinc/00/06/45/273000645.db2.gz OGBNMPGBEBBKCW-HIFRSBDPSA-N 0 0 332.404 1.117 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000194280775 273001863 /nfs/dbraw/zinc/00/18/63/273001863.db2.gz HDPHNWOGSMOSDS-VXGBXAGGSA-N 0 0 349.435 1.994 10 0 EDAERN O=C(CCc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1)N1CCCC1 ZINC000194825273 267865957 /nfs/dbraw/zinc/86/59/57/267865957.db2.gz VZZUNPZMWRIMBC-CQSZACIVSA-N 0 0 329.400 1.316 10 0 EDAERN Cn1nccc1C1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000124537478 272925871 /nfs/dbraw/zinc/92/58/71/272925871.db2.gz PHOWTWROKAOKHQ-QGZVFWFLSA-N 0 0 339.395 1.908 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177609531 272941430 /nfs/dbraw/zinc/94/14/30/272941430.db2.gz XEWOKKKZOHDVKN-SJCJKPOMSA-N 0 0 349.435 1.876 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000180184515 272944084 /nfs/dbraw/zinc/94/40/84/272944084.db2.gz ZFXAKNTWFBHKOO-SNVBAGLBSA-N 0 0 347.596 1.429 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1 ZINC000248507051 273753847 /nfs/dbraw/zinc/75/38/47/273753847.db2.gz XEODFXOYUFLVHD-KANFNMMFSA-N 0 0 343.471 1.670 10 0 EDAERN O=C(c1cccc2cc[nH]c21)N1CCN(c2ccc3nncn3n2)CC1 ZINC000173590841 275013869 /nfs/dbraw/zinc/01/38/69/275013869.db2.gz CFKZCNUMKYMDCL-UHFFFAOYSA-N 0 0 347.382 1.568 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801360 276316428 /nfs/dbraw/zinc/31/64/28/276316428.db2.gz JAAHVANSHREHIH-MRXNPFEDSA-N 0 0 349.479 1.228 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000189463349 276443630 /nfs/dbraw/zinc/44/36/30/276443630.db2.gz LEUWFIQSUPFYQV-OAHLLOKOSA-N 0 0 347.459 1.664 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)CC2 ZINC000114873275 276694806 /nfs/dbraw/zinc/69/48/06/276694806.db2.gz QTTCUOIJIXUKTG-LBPRGKRZSA-N 0 0 341.415 1.152 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000188661221 277019119 /nfs/dbraw/zinc/01/91/19/277019119.db2.gz SCENHTRYPFBXBF-ZWNOBZJWSA-N 0 0 325.796 1.326 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1nnc2n1CCCC2 ZINC000136304524 277608189 /nfs/dbraw/zinc/60/81/89/277608189.db2.gz XHLGLXLOEODWGY-OLZOCXBDSA-N 0 0 346.435 1.871 10 0 EDAERN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000246922328 278157267 /nfs/dbraw/zinc/15/72/67/278157267.db2.gz JCHXNZSWYLAYQV-TZMCWYRMSA-N 0 0 339.386 1.698 10 0 EDAERN CCS(=O)(=O)NCCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000245527694 280020375 /nfs/dbraw/zinc/02/03/75/280020375.db2.gz WGQKGIATCKDMGV-MJBXVCDLSA-N 0 0 332.466 1.122 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@@]12CCCO2 ZINC000333984197 280044128 /nfs/dbraw/zinc/04/41/28/280044128.db2.gz FHJVHQNIRLGOHP-BBRMVZONSA-N 0 0 344.477 1.553 10 0 EDAERN CC(C)[C@H]1N(C(=O)NCC2(N3CCOCC3)CC2)C[C@]12CCCO2 ZINC000333998059 280452747 /nfs/dbraw/zinc/45/27/47/280452747.db2.gz PJYXBCFKYXMIAI-CRAIPNDOSA-N 0 0 337.464 1.450 10 0 EDAERN Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000180253254 280532308 /nfs/dbraw/zinc/53/23/08/280532308.db2.gz KVEWIDOIBCEMLI-CJNGLKHVSA-N 0 0 349.406 1.252 10 0 EDAERN CN(CC1(O)CCCC1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000119891585 289551301 /nfs/dbraw/zinc/55/13/01/289551301.db2.gz DSMYCFRAMBXCCX-GUYCJALGSA-N 0 0 343.489 1.949 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000081588692 293520249 /nfs/dbraw/zinc/52/02/49/293520249.db2.gz NPKCBCGPQGNAID-KGLIPLIRSA-N 0 0 326.356 1.319 10 0 EDAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000245670518 298932305 /nfs/dbraw/zinc/93/23/05/298932305.db2.gz JTXCKCGYTLILIR-DVOMOZLQSA-N 0 0 344.415 1.652 10 0 EDAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000177233552 301020082 /nfs/dbraw/zinc/02/00/82/301020082.db2.gz GWSBWBLWSGQDQT-CQSZACIVSA-N 0 0 342.395 1.648 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(F)cn3)C2=O)n(C)n1 ZINC000187894775 301335443 /nfs/dbraw/zinc/33/54/43/301335443.db2.gz SWMKFTZPKNOHJM-GFCCVEGCSA-N 0 0 346.366 1.580 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000162879958 302758544 /nfs/dbraw/zinc/75/85/44/302758544.db2.gz LJNBTZXHRZZBCB-KGLIPLIRSA-N 0 0 333.436 1.504 10 0 EDAERN NC(=O)C1CC[NH+]([C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)CC1 ZINC000095390877 303239844 /nfs/dbraw/zinc/23/98/44/303239844.db2.gz LIFRBFRWPIAAOB-LBPRGKRZSA-N 0 0 346.305 1.908 10 0 EDAERN O=C(N1CC[C@@H](N2CCOCC2)C1)C1(c2ccccc2)CCOCC1 ZINC000172767234 303691441 /nfs/dbraw/zinc/69/14/41/303691441.db2.gz QEQSVMUNVQVXDA-GOSISDBHSA-N 0 0 344.455 1.668 10 0 EDAERN COc1ccc(S(=O)(=O)NCCC(=O)NCCC(C)C)cc1 ZINC000003020069 440886527 /nfs/dbraw/zinc/88/65/27/440886527.db2.gz DCVIPMBBJGUBEZ-UHFFFAOYSA-N 0 0 328.434 1.526 10 0 EDAERN CN(C)c1cccc(NC(=S)N[C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000005612036 440961666 /nfs/dbraw/zinc/96/16/66/440961666.db2.gz FJIHSPPXLVXKED-AWEZNQCLSA-N 0 0 327.475 1.616 10 0 EDAERN CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000045904043 441057054 /nfs/dbraw/zinc/05/70/54/441057054.db2.gz TZQLKKDLDYEXAE-LBPRGKRZSA-N 0 0 332.400 1.894 10 0 EDAERN O=C(NCCCN1C(=O)CCC1=O)NCc1ccc2c(c1)CCC2 ZINC000071879706 441181847 /nfs/dbraw/zinc/18/18/47/441181847.db2.gz SBILMEDFWYUGFI-UHFFFAOYSA-N 0 0 329.400 1.514 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)NCc2ccc([S@@](C)=O)cc2)C1 ZINC000080196828 441149641 /nfs/dbraw/zinc/14/96/41/441149641.db2.gz UBPZQAIVTJWZDM-ZLOXQWCVSA-N 0 0 338.429 1.519 10 0 EDAERN CN1CCO[C@H](CNC(=O)N[C@H](c2ccco2)c2ccccc2)C1 ZINC000105092738 441232526 /nfs/dbraw/zinc/23/25/26/441232526.db2.gz GNEWOMRYDUJKTH-WBVHZDCISA-N 0 0 329.400 1.999 10 0 EDAERN CCCN(CCc1ccccn1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000105124495 441236470 /nfs/dbraw/zinc/23/64/70/441236470.db2.gz ZYHSQGWZEDDOCG-MRXNPFEDSA-N 0 0 334.464 1.766 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1COc2ccccc21 ZINC000104872997 441217681 /nfs/dbraw/zinc/21/76/81/441217681.db2.gz YNWHRIRSFGCDKC-CQSZACIVSA-N 0 0 338.367 1.432 10 0 EDAERN CC(C)CNC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000105281430 441247465 /nfs/dbraw/zinc/24/74/65/441247465.db2.gz ANVWCMATNKZIFD-INIZCTEOSA-N 0 0 348.447 1.525 10 0 EDAERN CC(C)NC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000105281342 441248204 /nfs/dbraw/zinc/24/82/04/441248204.db2.gz YRIXLUYPZUYHHR-HNNXBMFYSA-N 0 0 334.420 1.277 10 0 EDAERN COc1ccccc1[C@@H](C)NC(=O)CN1CCC(CC(N)=O)CC1 ZINC000061332649 441269471 /nfs/dbraw/zinc/26/94/71/441269471.db2.gz HASLQKFPEGIRPW-CYBMUJFWSA-N 0 0 333.432 1.460 10 0 EDAERN Cn1c2[nH]c(-c3cccc(Br)c3)nc2c(=O)n(C)c1=O ZINC000021359557 441270742 /nfs/dbraw/zinc/27/07/42/441270742.db2.gz RBJSIIMFCNGKQI-UHFFFAOYSA-N 0 0 335.161 1.390 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccnc(-n2cncn2)c1 ZINC000081449937 441271632 /nfs/dbraw/zinc/27/16/32/441271632.db2.gz UZCWTVPJFZUXLI-LLVKDONJSA-N 0 0 331.376 1.465 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)N2CCC(Nc3cccnn3)CC2)on1 ZINC000105805261 441274689 /nfs/dbraw/zinc/27/46/89/441274689.db2.gz FINWTLLKQMSYBV-LBPRGKRZSA-N 0 0 330.392 1.677 10 0 EDAERN O=C(NCCNC(=O)c1ccc(F)cc1)N[C@@H]1CCCC[C@H]1CO ZINC000081487980 441276994 /nfs/dbraw/zinc/27/69/94/441276994.db2.gz MXSOFFGRKVWTEJ-DZGCQCFKSA-N 0 0 337.395 1.406 10 0 EDAERN COCCN1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000105832253 441285670 /nfs/dbraw/zinc/28/56/70/441285670.db2.gz KSVJYRWLKVDPFC-AWEZNQCLSA-N 0 0 333.432 1.480 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000105851784 441291937 /nfs/dbraw/zinc/29/19/37/441291937.db2.gz NXSNYSURXWCMAE-ZDUSSCGKSA-N 0 0 332.404 1.148 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(C)nn2c1nc(C)cc2C ZINC000081580902 441293006 /nfs/dbraw/zinc/29/30/06/441293006.db2.gz MKWXLFNGEOHNMZ-ZDUSSCGKSA-N 0 0 339.403 1.819 10 0 EDAERN COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1CCCn3nc(C)nc31)CO2 ZINC000081589089 441293457 /nfs/dbraw/zinc/29/34/57/441293457.db2.gz RJLPHKNZWWGBLE-DZGCQCFKSA-N 0 0 342.399 1.798 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 ZINC000106392911 441337339 /nfs/dbraw/zinc/33/73/39/441337339.db2.gz DXEZZFCAIOFOLR-INIZCTEOSA-N 0 0 342.443 1.914 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000106393261 441337453 /nfs/dbraw/zinc/33/74/53/441337453.db2.gz XVJOTPINARAEHD-NVXWUHKLSA-N 0 0 341.496 1.088 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2cccnc2)CC1 ZINC000105865782 441296638 /nfs/dbraw/zinc/29/66/38/441296638.db2.gz UMKDIXIKERRQFY-UHFFFAOYSA-N 0 0 342.447 1.459 10 0 EDAERN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869074 441298474 /nfs/dbraw/zinc/29/84/74/441298474.db2.gz SURFSVYCOVZWPE-SJLPKXTDSA-N 0 0 347.507 1.623 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3noc(C4CC4)n3)CC2)n1 ZINC000105868801 441299435 /nfs/dbraw/zinc/29/94/35/441299435.db2.gz DSCNALJZGGCMRZ-UHFFFAOYSA-N 0 0 344.419 1.766 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC000105885970 441306725 /nfs/dbraw/zinc/30/67/25/441306725.db2.gz ZDHPDIZXXJVQFJ-UHFFFAOYSA-N 0 0 347.444 1.496 10 0 EDAERN Cc1ccc(C)c(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105888909 441308237 /nfs/dbraw/zinc/30/82/37/441308237.db2.gz ZXSXPRUNJZBKMO-MRXNPFEDSA-N 0 0 328.416 1.839 10 0 EDAERN Cc1cnn(C[C@H]2CN([C@@H](C)C(=O)NCc3ccccc3)CCO2)c1 ZINC000105891289 441308576 /nfs/dbraw/zinc/30/85/76/441308576.db2.gz XEKQULRXZQCCIR-FUHWJXTLSA-N 0 0 342.443 1.597 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000105894284 441311254 /nfs/dbraw/zinc/31/12/54/441311254.db2.gz IFYWYEHFTOVSLY-MRXNPFEDSA-N 0 0 342.399 1.522 10 0 EDAERN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105920840 441316157 /nfs/dbraw/zinc/31/61/57/441316157.db2.gz LVFXVGXGKYNZCI-TWMKSMIVSA-N 0 0 334.464 1.762 10 0 EDAERN Cn1cc(CN2CCN(C(=O)Cc3cccs3)CC2)ccc1=O ZINC000065285903 441414754 /nfs/dbraw/zinc/41/47/54/441414754.db2.gz RBNUUDHMTVJTMY-UHFFFAOYSA-N 0 0 331.441 1.334 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000028276699 441429474 /nfs/dbraw/zinc/42/94/74/441429474.db2.gz QJDMARWIUISHEY-HNNXBMFYSA-N 0 0 342.436 1.689 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccnc1OC ZINC000087034713 441477160 /nfs/dbraw/zinc/47/71/60/441477160.db2.gz PXSBJDDZWUKMIG-LBPRGKRZSA-N 0 0 330.392 1.578 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(C(N)=O)c1 ZINC000087034999 441477186 /nfs/dbraw/zinc/47/71/86/441477186.db2.gz JKGGTUISVFWXIU-CYBMUJFWSA-N 0 0 342.403 1.274 10 0 EDAERN CCCCN(Cc1nnc(C(C)C)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000108870208 441479534 /nfs/dbraw/zinc/47/95/34/441479534.db2.gz KZCXGEQMTYZYTD-ZDUSSCGKSA-N 0 0 328.482 1.728 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1c(C)nn(C)c1C ZINC000088197139 441495640 /nfs/dbraw/zinc/49/56/40/441495640.db2.gz LAAJNAFZQVWJIL-CQSZACIVSA-N 0 0 330.436 1.775 10 0 EDAERN COC(C)(C)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000075312338 441517635 /nfs/dbraw/zinc/51/76/35/441517635.db2.gz ZENHFKBLHQUEPD-NSHDSACASA-N 0 0 328.434 1.875 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1n[nH]c(-c2ccccc2F)n1 ZINC000109625598 441501902 /nfs/dbraw/zinc/50/19/02/441501902.db2.gz SAHYUGVLNFZQJX-VIFPVBQESA-N 0 0 343.318 1.961 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)C[C@H](C)CC)CC2)n1 ZINC000113292604 441598350 /nfs/dbraw/zinc/59/83/50/441598350.db2.gz VHSLJAUIOMPRQY-CHWSQXEVSA-N 0 0 344.481 1.687 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000076099003 441598568 /nfs/dbraw/zinc/59/85/68/441598568.db2.gz IZMQLOVGVSWJPP-GWCFXTLKSA-N 0 0 326.356 1.114 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CCS1 ZINC000113640601 441621163 /nfs/dbraw/zinc/62/11/63/441621163.db2.gz MCJYENWBAUXVTF-LBPRGKRZSA-N 0 0 330.413 1.775 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000113895368 441626677 /nfs/dbraw/zinc/62/66/77/441626677.db2.gz FKHTWNBXSFFUSU-OAHLLOKOSA-N 0 0 348.428 1.685 10 0 EDAERN CCn1cc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)cn1 ZINC000114278684 441644412 /nfs/dbraw/zinc/64/44/12/441644412.db2.gz GMXHIRVPULMAOT-UHFFFAOYSA-N 0 0 344.463 1.813 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(C=O)cc1)CC2 ZINC000114865249 441693101 /nfs/dbraw/zinc/69/31/01/441693101.db2.gz SBLRQUVHILKJDH-CYBMUJFWSA-N 0 0 328.372 1.163 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1coc(Br)c1)CC2 ZINC000114869924 441693724 /nfs/dbraw/zinc/69/37/24/441693724.db2.gz VTPZAULZHYPEGG-SECBINFHSA-N 0 0 339.193 1.941 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(F)ccc1F)CC2 ZINC000114874569 441694473 /nfs/dbraw/zinc/69/44/73/441694473.db2.gz WZEHUIBVIYRQFI-SNVBAGLBSA-N 0 0 342.371 1.412 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3cccc(F)c3)CCO2)[nH]1 ZINC000136554603 441703906 /nfs/dbraw/zinc/70/39/06/441703906.db2.gz IDKFPMRATKBTPB-CQSZACIVSA-N 0 0 347.394 1.832 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CCSCC ZINC000173310381 441710019 /nfs/dbraw/zinc/71/00/19/441710019.db2.gz PCLCGMSTIWDHGR-STQMWFEESA-N 0 0 336.523 1.839 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000115408515 441736283 /nfs/dbraw/zinc/73/62/83/441736283.db2.gz RWONONTXEDYFJP-QWRGUYRKSA-N 0 0 335.747 1.815 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000136984640 441736776 /nfs/dbraw/zinc/73/67/76/441736776.db2.gz OZMKSEKEEVTUEL-VQIMIIECSA-N 0 0 345.443 1.883 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2c(C)noc2C)ncn1 ZINC000173430321 441747917 /nfs/dbraw/zinc/74/79/17/441747917.db2.gz CPBLWBAQROYUKO-LBPRGKRZSA-N 0 0 330.392 1.522 10 0 EDAERN CC[C@@H](O)CN1CCN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000173453498 441756832 /nfs/dbraw/zinc/75/68/32/441756832.db2.gz AOJIMPGIQNGLNT-OAHLLOKOSA-N 0 0 335.448 1.405 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)C1 ZINC000121682035 441758062 /nfs/dbraw/zinc/75/80/62/441758062.db2.gz MLSFFGSVVAEPRJ-IRXDYDNUSA-N 0 0 349.475 1.419 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173533119 441782282 /nfs/dbraw/zinc/78/22/82/441782282.db2.gz JPNLKTFDMIZEOY-CYBMUJFWSA-N 0 0 336.779 1.745 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCc3ccc4c(c3)OCO4)C2)cn1 ZINC000116415863 441820433 /nfs/dbraw/zinc/82/04/33/441820433.db2.gz XPWNQQODNDVMKI-CQSZACIVSA-N 0 0 342.399 1.890 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cn(C)c4ccccc34)CCO2)[nH]1 ZINC000173547061 441788047 /nfs/dbraw/zinc/78/80/47/441788047.db2.gz GIZLGERVGSFNQA-HNNXBMFYSA-N 0 0 325.372 1.819 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cn3ccc4ccccc43)CCO2)[nH]1 ZINC000173571145 441795421 /nfs/dbraw/zinc/79/54/21/441795421.db2.gz SYUPTUPOJZIDKF-HNNXBMFYSA-N 0 0 339.399 1.922 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCc3ccc4c(c3)OCO4)C2)cn1 ZINC000116415866 441821054 /nfs/dbraw/zinc/82/10/54/441821054.db2.gz XPWNQQODNDVMKI-AWEZNQCLSA-N 0 0 342.399 1.890 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ncccc3C)CCO2)[nH]1 ZINC000138993009 441802038 /nfs/dbraw/zinc/80/20/38/441802038.db2.gz ICSAPWXBFSWPJT-ZDUSSCGKSA-N 0 0 330.392 1.354 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cs1 ZINC000159309209 441803238 /nfs/dbraw/zinc/80/32/38/441803238.db2.gz PLMNDHIHEJHXFT-NEPJUHHUSA-N 0 0 329.443 1.935 10 0 EDAERN COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173940680 441865101 /nfs/dbraw/zinc/86/51/01/441865101.db2.gz WNWOYLRFSMISFB-QGZVFWFLSA-N 0 0 347.459 1.060 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)C1 ZINC000116429747 441822337 /nfs/dbraw/zinc/82/23/37/441822337.db2.gz UYMSEAYOSMBMSV-IRXDYDNUSA-N 0 0 349.475 1.647 10 0 EDAERN CCc1cccc(C)c1NC(=O)CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173677854 441822988 /nfs/dbraw/zinc/82/29/88/441822988.db2.gz UIOCJXPGUACCPG-HNNXBMFYSA-N 0 0 343.431 1.996 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCC(=O)Nc3ccccc3)C2)cn1 ZINC000116551796 441829015 /nfs/dbraw/zinc/82/90/15/441829015.db2.gz XHHHWZGPQOVFDQ-CQSZACIVSA-N 0 0 341.415 1.948 10 0 EDAERN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CNC(=O)C1 ZINC000116660558 441835903 /nfs/dbraw/zinc/83/59/03/441835903.db2.gz CZTMVYFGZSLZSH-MNOVXSKESA-N 0 0 339.342 1.119 10 0 EDAERN CN(C)C(=O)c1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173780906 441838523 /nfs/dbraw/zinc/83/85/23/441838523.db2.gz OWAURPZWKOIHJB-MRXNPFEDSA-N 0 0 346.431 1.327 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3)C2)n1 ZINC000116777431 441842425 /nfs/dbraw/zinc/84/24/25/441842425.db2.gz UMNSXWDZGARXRY-OAHLLOKOSA-N 0 0 341.415 1.772 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)n1 ZINC000116778499 441844340 /nfs/dbraw/zinc/84/43/40/441844340.db2.gz DMCZXVZFKMDKSE-CABCVRRESA-N 0 0 333.436 1.002 10 0 EDAERN Cc1noc(CCC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000116779802 441844368 /nfs/dbraw/zinc/84/43/68/441844368.db2.gz GURNNTOWWKAEAR-AWEZNQCLSA-N 0 0 332.408 1.458 10 0 EDAERN Cc1ccc(C)c(OCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000173813123 441844429 /nfs/dbraw/zinc/84/44/29/441844429.db2.gz ZJBRALLSCUEINL-IRXDYDNUSA-N 0 0 332.444 1.861 10 0 EDAERN Cc1nn(C)c2ncc(C(=O)N3C[C@H](N4CCOCC4)[C@@H](C)C3)cc12 ZINC000173841710 441848469 /nfs/dbraw/zinc/84/84/69/441848469.db2.gz SJIFSAVOSQFNST-LRDDRELGSA-N 0 0 343.431 1.069 10 0 EDAERN C[C@H](NC(=O)NCC(=O)NC1CC1)c1cccc(-n2ccnc2)c1 ZINC000174216616 441904678 /nfs/dbraw/zinc/90/46/78/441904678.db2.gz JYOIUFMDQNDLGK-LBPRGKRZSA-N 0 0 327.388 1.511 10 0 EDAERN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000147491870 441908228 /nfs/dbraw/zinc/90/82/28/441908228.db2.gz WPDIQZUFIUDHJB-DZGCQCFKSA-N 0 0 335.404 1.441 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CCO[C@H](Cn2cccn2)C1)C(C)C ZINC000174334037 441913963 /nfs/dbraw/zinc/91/39/63/441913963.db2.gz NLJCOLTYSUQVNF-HOTGVXAUSA-N 0 0 338.452 1.745 10 0 EDAERN O=C(NCC(F)(F)F)[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000078518765 441940378 /nfs/dbraw/zinc/94/03/78/441940378.db2.gz PYNJAFWYRGJYDE-MRVPVSSYSA-N 0 0 328.298 1.248 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)CC3(O)CCCCC3)CC2)cn1 ZINC000174653883 441949124 /nfs/dbraw/zinc/94/91/24/441949124.db2.gz OUUWTTONZVKXNW-UHFFFAOYSA-N 0 0 334.464 1.540 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000174719585 441959909 /nfs/dbraw/zinc/95/99/09/441959909.db2.gz YPQWRHTVJQRXHM-CHWSQXEVSA-N 0 0 332.404 1.311 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@H](C)Cc3cc(C)n[nH]3)CCO2)c1 ZINC000124941702 441968264 /nfs/dbraw/zinc/96/82/64/441968264.db2.gz YVPYVOBRYNQXAW-CZUORRHYSA-N 0 0 346.435 1.265 10 0 EDAERN COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000175002635 441994728 /nfs/dbraw/zinc/99/47/28/441994728.db2.gz ORQPVMDYABDQEA-QWHCGFSZSA-N 0 0 339.411 1.915 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NS(=O)(=O)C[C@H](C)c1ccccc1)CC2 ZINC000150981227 441985813 /nfs/dbraw/zinc/98/58/13/441985813.db2.gz ODEPPGFJGPPVSY-WFASDCNBSA-N 0 0 334.445 1.624 10 0 EDAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1COc2ccccc21 ZINC000161597094 442015619 /nfs/dbraw/zinc/01/56/19/442015619.db2.gz AZIUCGBHBYYFTH-SNVBAGLBSA-N 0 0 338.410 1.567 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000125407436 442019112 /nfs/dbraw/zinc/01/91/12/442019112.db2.gz XVPHYQITIGXNHZ-INIZCTEOSA-N 0 0 336.432 1.326 10 0 EDAERN CCc1cc(NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n(C)n1 ZINC000151318004 442042213 /nfs/dbraw/zinc/04/22/13/442042213.db2.gz RLVHYHURPGMJDM-AWEZNQCLSA-N 0 0 343.435 1.905 10 0 EDAERN NS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151221128 442026794 /nfs/dbraw/zinc/02/67/94/442026794.db2.gz FXJHHTXUEPFFCW-CZUORRHYSA-N 0 0 338.429 1.101 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000175616239 442093934 /nfs/dbraw/zinc/09/39/34/442093934.db2.gz PEWINQQBWPKBOW-RHSMWYFYSA-N 0 0 349.479 1.252 10 0 EDAERN Cn1cc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2=O)cn1 ZINC000175614878 442094046 /nfs/dbraw/zinc/09/40/46/442094046.db2.gz DNPRYQZTIHTOFZ-JXMROGBWSA-N 0 0 346.412 1.069 10 0 EDAERN O=C(NCCNC(=O)C1CC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000161966066 442050308 /nfs/dbraw/zinc/05/03/08/442050308.db2.gz ULRVMFJCIFZEHD-ZDUSSCGKSA-N 0 0 343.349 1.985 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc([C@H](C)O)cc3)CCO2)[nH]1 ZINC000175474815 442070397 /nfs/dbraw/zinc/07/03/97/442070397.db2.gz GCKSJHQSCLVIGP-NHYWBVRUSA-N 0 0 345.403 1.450 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NC[C@H](C)Oc3ccccc3)CCO2)[nH]1 ZINC000175536504 442081982 /nfs/dbraw/zinc/08/19/82/442081982.db2.gz WQFWWSINRXSCBX-WFASDCNBSA-N 0 0 345.403 1.664 10 0 EDAERN COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)C2CC2)C3)cc1 ZINC000096269285 442109366 /nfs/dbraw/zinc/10/93/66/442109366.db2.gz UELYKDRAUDEBRP-HNNXBMFYSA-N 0 0 327.384 1.984 10 0 EDAERN COC(=O)[C@H](C)CS(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000151772733 442118955 /nfs/dbraw/zinc/11/89/55/442118955.db2.gz WHTXSYXDJVQKRJ-TZMCWYRMSA-N 0 0 328.434 1.018 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)C(C)C ZINC000126638904 442129211 /nfs/dbraw/zinc/12/92/11/442129211.db2.gz XBWMMZBFLBLHBP-NVXWUHKLSA-N 0 0 349.479 1.704 10 0 EDAERN CCOC(=O)N[C@@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000126660570 442131382 /nfs/dbraw/zinc/13/13/82/442131382.db2.gz CDPYEXFHHQVAIU-UONOGXRCSA-N 0 0 337.424 1.287 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1cccc(F)c1 ZINC000175862521 442136222 /nfs/dbraw/zinc/13/62/22/442136222.db2.gz XKIFMYOKFKGOHI-NSHDSACASA-N 0 0 338.379 1.744 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2c[nH]c3ncccc23)C[C@@H]1C ZINC000120825861 442139427 /nfs/dbraw/zinc/13/94/27/442139427.db2.gz BTVAZTJEJRKHOX-AWEZNQCLSA-N 0 0 330.432 1.675 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1c(OC)cccc1OC)CC2 ZINC000120573818 442096684 /nfs/dbraw/zinc/09/66/84/442096684.db2.gz PRFLYYMSKZDDFD-LBPRGKRZSA-N 0 0 344.415 1.531 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3nccs3)C2=O)n(C)n1 ZINC000175711056 442108920 /nfs/dbraw/zinc/10/89/20/442108920.db2.gz SMQUSKQKNNSBAL-LLVKDONJSA-N 0 0 348.432 1.180 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000164982317 442205595 /nfs/dbraw/zinc/20/55/95/442205595.db2.gz BUYHFPVFVXPPST-CZUORRHYSA-N 0 0 330.388 1.259 10 0 EDAERN CCOC(=O)CC[C@@H]1CCCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000127343731 442194635 /nfs/dbraw/zinc/19/46/35/442194635.db2.gz NQGHCRPGUOQSSY-HNNXBMFYSA-N 0 0 336.436 1.956 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000121273411 442198632 /nfs/dbraw/zinc/19/86/32/442198632.db2.gz HOGBUKOKGSNJKD-INIZCTEOSA-N 0 0 345.443 1.877 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@]3(C)CCCS3)CCO2)[nH]1 ZINC000120939556 442155131 /nfs/dbraw/zinc/15/51/31/442155131.db2.gz SWDVGQHAALGWBG-NHYWBVRUSA-N 0 0 339.465 1.736 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000126957736 442157978 /nfs/dbraw/zinc/15/79/78/442157978.db2.gz LZKXUUNQSHYBPI-SFHVURJKSA-N 0 0 349.479 1.433 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000176001501 442159617 /nfs/dbraw/zinc/15/96/17/442159617.db2.gz VEOQBZFRKOFEKP-CQSZACIVSA-N 0 0 343.387 1.434 10 0 EDAERN CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000176018539 442161778 /nfs/dbraw/zinc/16/17/78/442161778.db2.gz IBVQLIHMMDKCBT-ZDUSSCGKSA-N 0 0 343.387 1.575 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)CCc2cccn2C)C[C@H]1C ZINC000176036393 442164578 /nfs/dbraw/zinc/16/45/78/442164578.db2.gz FAIBDEXTBFDKFG-JKSUJKDBSA-N 0 0 336.480 1.708 10 0 EDAERN CCc1nc(-c2ccc(C(=O)N[C@H]3CCCn4ncnc43)cc2)n[nH]1 ZINC000127613527 442215173 /nfs/dbraw/zinc/21/51/73/442215173.db2.gz BYFNJVRPQVDMOI-ZDUSSCGKSA-N 0 0 337.387 1.891 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1cc(F)ccc1F)CC2 ZINC000176368323 442215172 /nfs/dbraw/zinc/21/51/72/442215172.db2.gz YGNHNKFBBHJSGW-CYBMUJFWSA-N 0 0 349.385 1.975 10 0 EDAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127618342 442216048 /nfs/dbraw/zinc/21/60/48/442216048.db2.gz ICKIXFXMZYBJLO-WMLDXEAASA-N 0 0 339.399 1.710 10 0 EDAERN CN1CC[C@H](NC(=O)[C@H]2CNC(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152475608 442218051 /nfs/dbraw/zinc/21/80/51/442218051.db2.gz UVIDXKMBZVAOHC-DGFSRKRXSA-N 0 0 339.798 1.477 10 0 EDAERN O=C(NCCOCc1ccccc1)N1CCC[C@H](n2cncn2)C1 ZINC000176440234 442222682 /nfs/dbraw/zinc/22/26/82/442222682.db2.gz HMLFXPGPMJVEOO-INIZCTEOSA-N 0 0 329.404 1.841 10 0 EDAERN CN1CC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1=O ZINC000168841233 442225280 /nfs/dbraw/zinc/22/52/80/442225280.db2.gz INRHVMOTSSFGKZ-NSHDSACASA-N 0 0 343.305 1.170 10 0 EDAERN CCOCCC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000176571428 442235454 /nfs/dbraw/zinc/23/54/54/442235454.db2.gz KXJIXLZGWJSKDX-CQSZACIVSA-N 0 0 326.462 1.973 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000153178801 442266273 /nfs/dbraw/zinc/26/62/73/442266273.db2.gz VRBSWAYLYZSEDJ-CYBMUJFWSA-N 0 0 346.435 1.262 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CCCC(=O)OC)C1 ZINC000128521409 442271585 /nfs/dbraw/zinc/27/15/85/442271585.db2.gz UTKGHCWNKAOSGP-CYBMUJFWSA-N 0 0 343.449 1.365 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(OC)cs2)ncn1 ZINC000176925824 442274501 /nfs/dbraw/zinc/27/45/01/442274501.db2.gz KDPSJFZLTJDJDV-LLVKDONJSA-N 0 0 347.444 1.987 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(F)ccc1F ZINC000177004873 442284166 /nfs/dbraw/zinc/28/41/66/442284166.db2.gz ACMCPPQGWFAHHH-NSHDSACASA-N 0 0 328.344 1.678 10 0 EDAERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000128836321 442290683 /nfs/dbraw/zinc/29/06/83/442290683.db2.gz YBPDVTPDQJWSBD-HZPDHXFCSA-N 0 0 343.431 1.576 10 0 EDAERN O=C(CCc1ccccc1Cl)NC[C@H](O)CN1CCOCC1 ZINC000154137667 442323480 /nfs/dbraw/zinc/32/34/80/442323480.db2.gz YWEUEBCWIRWEGN-AWEZNQCLSA-N 0 0 326.824 1.082 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCNC(=O)C(C)(C)C)C1 ZINC000171217505 442329319 /nfs/dbraw/zinc/32/93/19/442329319.db2.gz PXILRIJIIPJHPQ-ZDUSSCGKSA-N 0 0 340.468 1.239 10 0 EDAERN O=C(NCc1ccc(N2CCCC2)nc1)N[C@@H]1CCCn2ncnc21 ZINC000177382282 442334669 /nfs/dbraw/zinc/33/46/69/442334669.db2.gz NTQGSWCBTOLSSP-CQSZACIVSA-N 0 0 341.419 1.608 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSC[C@H](O)CO ZINC000177415953 442339014 /nfs/dbraw/zinc/33/90/14/442339014.db2.gz WIDMOUCPUKXZJV-OAHLLOKOSA-N 0 0 349.456 1.192 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000177180929 442310929 /nfs/dbraw/zinc/31/09/29/442310929.db2.gz FBLHPMRDCRKQQW-DOTOQJQBSA-N 0 0 344.459 1.974 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000177202384 442313036 /nfs/dbraw/zinc/31/30/36/442313036.db2.gz ZUCVLBMSNFJEPH-GXTWGEPZSA-N 0 0 330.388 1.594 10 0 EDAERN COc1ccc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177229656 442316528 /nfs/dbraw/zinc/31/65/28/442316528.db2.gz BPIAVAMNXQNTEB-RHSMWYFYSA-N 0 0 333.432 1.557 10 0 EDAERN O=C(Nc1cccc(C(F)F)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633964 442365008 /nfs/dbraw/zinc/36/50/08/442365008.db2.gz UCPMCZXBBDGUTM-LLVKDONJSA-N 0 0 335.314 1.285 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(CC(=O)N(C)Cc1cnn(C)c1)C2 ZINC000171639663 442365815 /nfs/dbraw/zinc/36/58/15/442365815.db2.gz DMKDHLFJAMDHIZ-UHFFFAOYSA-N 0 0 344.463 1.294 10 0 EDAERN CCNC(=O)c1cccc(NC(=O)CN(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000177711365 442373584 /nfs/dbraw/zinc/37/35/84/442373584.db2.gz GWFKBWMIRAEOKV-QGZVFWFLSA-N 0 0 346.475 1.791 10 0 EDAERN COC(=O)c1ccc(CCC(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000177733795 442377628 /nfs/dbraw/zinc/37/76/28/442377628.db2.gz ZKILPWLCPMQJDE-HNNXBMFYSA-N 0 0 342.399 1.957 10 0 EDAERN O=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1CCc2ncnn2C1 ZINC000155352335 442390025 /nfs/dbraw/zinc/39/00/25/442390025.db2.gz VTASWOBWLRUACB-ZETCQYMHSA-N 0 0 346.338 1.568 10 0 EDAERN CCOC(=O)CN(CCc1ccccc1)Cc1nnc(CC)n1C ZINC000171978657 442395620 /nfs/dbraw/zinc/39/56/20/442395620.db2.gz AMNLCZHHKGIMPQ-UHFFFAOYSA-N 0 0 330.432 1.985 10 0 EDAERN O=C(Nc1ccc(-c2ncon2)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177548918 442356101 /nfs/dbraw/zinc/35/61/01/442356101.db2.gz JEVRSKBQJLKPIT-GXTWGEPZSA-N 0 0 344.371 1.342 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC000171577041 442358661 /nfs/dbraw/zinc/35/86/61/442358661.db2.gz WDGYODFRAZQHQS-OAHLLOKOSA-N 0 0 348.447 1.248 10 0 EDAERN O=C(CCc1nc(-c2cccs2)no1)N[C@@H]1CCCn2ncnc21 ZINC000177587916 442359833 /nfs/dbraw/zinc/35/98/33/442359833.db2.gz HQCDCDWZPWXXDW-SNVBAGLBSA-N 0 0 344.400 1.974 10 0 EDAERN CCc1noc([C@H](C)N2CCN([C@H](C)C(=O)N[C@@H](C)CC)CC2)n1 ZINC000171591403 442360014 /nfs/dbraw/zinc/36/00/14/442360014.db2.gz PKZFFNOFWQVKRT-MJBXVCDLSA-N 0 0 337.468 1.614 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cccnc3)C2)no1 ZINC000177594920 442361024 /nfs/dbraw/zinc/36/10/24/442361024.db2.gz OUTZDAIWDWOPBD-GFCCVEGCSA-N 0 0 329.360 1.193 10 0 EDAERN CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000130987628 442361882 /nfs/dbraw/zinc/36/18/82/442361882.db2.gz VNKLCLFVPWMHEE-SJLPKXTDSA-N 0 0 347.434 1.898 10 0 EDAERN Cc1ncc(CN2CCN(C[C@@H](O)COCC(C)C)CC2)s1 ZINC000171623695 442363835 /nfs/dbraw/zinc/36/38/35/442363835.db2.gz SAAGITGQEXJMLU-OAHLLOKOSA-N 0 0 327.494 1.603 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)nc1Cl ZINC000172103408 442409346 /nfs/dbraw/zinc/40/93/46/442409346.db2.gz FEYYHCOLUBSHBK-SSDOTTSWSA-N 0 0 348.215 1.273 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000178139490 442410222 /nfs/dbraw/zinc/41/02/22/442410222.db2.gz YJGYMQADRPYOQQ-MFKMUULPSA-N 0 0 331.821 1.797 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3ccccc3[nH]c1=O)CC2 ZINC000172257469 442431697 /nfs/dbraw/zinc/43/16/97/442431697.db2.gz FIEPUMTUKIHILJ-LBPRGKRZSA-N 0 0 337.383 1.427 10 0 EDAERN CCc1cccc(NC(=O)CNC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000133908424 442439437 /nfs/dbraw/zinc/43/94/37/442439437.db2.gz ZEWXHSXTRGXGHP-AWEZNQCLSA-N 0 0 348.447 1.207 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)Cn2ccnc2C)C[C@H]1C ZINC000172332464 442445958 /nfs/dbraw/zinc/44/59/58/442445958.db2.gz MSRJWOIHVVSIGR-LSDHHAIUSA-N 0 0 337.468 1.190 10 0 EDAERN CCCNC(=O)CNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172341062 442446735 /nfs/dbraw/zinc/44/67/35/442446735.db2.gz XSCYYMKKPHVIGJ-UHFFFAOYSA-N 0 0 345.403 1.186 10 0 EDAERN O=C(Nc1cccc(OCC(F)F)n1)N[C@H]1CCCn2ncnc21 ZINC000134066990 442449119 /nfs/dbraw/zinc/44/91/19/442449119.db2.gz GVZKYVZSMBLWSH-VIFPVBQESA-N 0 0 338.318 1.974 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)Cc3c(C)noc3Cl)CCO2)cn1 ZINC000191706852 442494525 /nfs/dbraw/zinc/49/45/25/442494525.db2.gz ZKSWDHFDRJCTOJ-CYBMUJFWSA-N 0 0 338.795 1.995 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@H](O)c3cccc(OC)c3)CCO2)cn1 ZINC000191711299 442495120 /nfs/dbraw/zinc/49/51/20/442495120.db2.gz UFQZOTRDXLOPIJ-DLBZAZTESA-N 0 0 345.399 1.545 10 0 EDAERN COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000178839566 442499673 /nfs/dbraw/zinc/49/96/73/442499673.db2.gz JGMPGEQHRFMBRT-GWCFXTLKSA-N 0 0 326.418 1.765 10 0 EDAERN C[C@H]1CN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)CCS1 ZINC000179784165 442502532 /nfs/dbraw/zinc/50/25/32/442502532.db2.gz OBHHBWCQMJMIOB-JSGCOSHPSA-N 0 0 342.486 1.919 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC(O)C1)c1cccs1 ZINC000156292218 442463188 /nfs/dbraw/zinc/46/31/88/442463188.db2.gz WRMMXMIIQXIZIA-AWEZNQCLSA-N 0 0 330.409 1.292 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCN(Cc1ccccc1)C(C)=O)C(C)C ZINC000178726517 442465586 /nfs/dbraw/zinc/46/55/86/442465586.db2.gz NDSUZVJPJIUXNR-QGZVFWFLSA-N 0 0 333.432 1.312 10 0 EDAERN COCCOc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000172759688 442536295 /nfs/dbraw/zinc/53/62/95/442536295.db2.gz XTUBCAGMKRRLGD-MRXNPFEDSA-N 0 0 334.416 1.259 10 0 EDAERN CC(C)[C@H](O)CC(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000156968162 442538207 /nfs/dbraw/zinc/53/82/07/442538207.db2.gz GVCLACHYYSQCRD-QGZVFWFLSA-N 0 0 347.459 1.349 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)/C=C/c1ccc(OC)c(O)c1)CC2 ZINC000186478740 442542680 /nfs/dbraw/zinc/54/26/80/442542680.db2.gz ZJJCRTQZYIPPBD-OMDQHUAHSA-N 0 0 342.399 1.699 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCCc3nc(C)no3)CCO2)cn1 ZINC000191797804 442513024 /nfs/dbraw/zinc/51/30/24/442513024.db2.gz FPMQJEIKHKCUBH-AWEZNQCLSA-N 0 0 333.392 1.517 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cccc(N)c2)CC1 ZINC000178887323 442514915 /nfs/dbraw/zinc/51/49/15/442514915.db2.gz CGTTYPGAUQOSBS-UHFFFAOYSA-N 0 0 327.432 1.577 10 0 EDAERN CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000134757248 442519936 /nfs/dbraw/zinc/51/99/36/442519936.db2.gz HQGDUUUUFWKRJD-AWEZNQCLSA-N 0 0 338.429 1.221 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cn(C(C)(C)C)nc2C)n1 ZINC000186606878 442571466 /nfs/dbraw/zinc/57/14/66/442571466.db2.gz YGUTYFPWLIMCBN-ZDUSSCGKSA-N 0 0 333.392 1.852 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)nn1 ZINC000180280419 442573570 /nfs/dbraw/zinc/57/35/70/442573570.db2.gz WQLFYNYDRCUSIR-UHFFFAOYSA-N 0 0 327.388 1.547 10 0 EDAERN O=C(Nc1cnns1)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000192054635 442580294 /nfs/dbraw/zinc/58/02/94/442580294.db2.gz FXLZLUIZWOZKAA-SECBINFHSA-N 0 0 344.318 1.766 10 0 EDAERN Cc1sc(=O)n(CC(=O)N[C@@H](C)c2nnc3n2CCCC3)c1C ZINC000135391796 442590072 /nfs/dbraw/zinc/59/00/72/442590072.db2.gz SGCACXYINSIEEX-VIFPVBQESA-N 0 0 335.433 1.332 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000135388756 442590241 /nfs/dbraw/zinc/59/02/41/442590241.db2.gz QMSPARJODSRSBT-AWEZNQCLSA-N 0 0 340.431 1.747 10 0 EDAERN O=C(COc1cccc(N2CCCC2=O)c1)N[C@@H]1CCCC[C@H]1CO ZINC000179232766 442602428 /nfs/dbraw/zinc/60/24/28/442602428.db2.gz NZBPHBHDCUTRRL-WMLDXEAASA-N 0 0 346.427 1.860 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@H]1C(C)(C)O)CC2 ZINC000186763005 442606996 /nfs/dbraw/zinc/60/69/96/442606996.db2.gz QKVRRUPZDQSZEZ-OLZOCXBDSA-N 0 0 335.452 1.661 10 0 EDAERN O[C@H](COc1ccccc1)CN1CCN(Cc2ncccn2)CC1 ZINC000192008624 442565683 /nfs/dbraw/zinc/56/56/83/442565683.db2.gz STLSEDFLSHZCSI-INIZCTEOSA-N 0 0 328.416 1.034 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180250017 442566561 /nfs/dbraw/zinc/56/65/61/442566561.db2.gz XVAZOQPDZZVHFA-MLGOLLRUSA-N 0 0 349.406 1.252 10 0 EDAERN O=C(NCCOc1ncccc1Cl)N[C@H]1CCc2ncnn2C1 ZINC000135847837 442636996 /nfs/dbraw/zinc/63/69/96/442636996.db2.gz GZMJNUOWFMMHGX-JTQLQIEISA-N 0 0 336.783 1.020 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3ccccc3F)CC2)no1 ZINC000173283049 442640463 /nfs/dbraw/zinc/64/04/63/442640463.db2.gz IETQYERFCITVRF-UHFFFAOYSA-N 0 0 347.394 1.935 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC2 ZINC000179425173 442645511 /nfs/dbraw/zinc/64/55/11/442645511.db2.gz XYOYRRKDBIADKD-LLVKDONJSA-N 0 0 342.465 1.046 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOCC(N)=O ZINC000136028769 442646888 /nfs/dbraw/zinc/64/68/88/442646888.db2.gz UWCJOKAKJASNFP-MRVPVSSYSA-N 0 0 335.187 1.379 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2snnc2CC)C12CCOCC2 ZINC000187136362 442655347 /nfs/dbraw/zinc/65/53/47/442655347.db2.gz XFGFLDGCTVJTEG-NEPJUHHUSA-N 0 0 325.434 1.805 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232668 442618968 /nfs/dbraw/zinc/61/89/68/442618968.db2.gz DOWVKNYNFZOMGF-CQSZACIVSA-N 0 0 348.509 1.854 10 0 EDAERN COCCOc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)ccn1 ZINC000180541837 442619636 /nfs/dbraw/zinc/61/96/36/442619636.db2.gz GSPUZCJQBBBZID-LBPRGKRZSA-N 0 0 345.403 1.526 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](COCC(C)C)c1ccco1 ZINC000157850519 442620654 /nfs/dbraw/zinc/62/06/54/442620654.db2.gz ZUNPXWGHJRBMIP-KBPBESRZSA-N 0 0 337.420 1.913 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 ZINC000173201743 442622665 /nfs/dbraw/zinc/62/26/65/442622665.db2.gz DSUIARNZERIJNN-GDBMZVCRSA-N 0 0 341.415 1.685 10 0 EDAERN COC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc2ccccc2c1 ZINC000180561125 442622974 /nfs/dbraw/zinc/62/29/74/442622974.db2.gz HOMQXHSASMKOMG-HOCLYGCPSA-N 0 0 326.352 1.306 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)CNS(=O)(=O)CC)o1 ZINC000135684014 442625239 /nfs/dbraw/zinc/62/52/39/442625239.db2.gz MOOUQYAVEJYZKQ-ZDUSSCGKSA-N 0 0 328.434 1.835 10 0 EDAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@@H](C)C2 ZINC000180590893 442630059 /nfs/dbraw/zinc/63/00/59/442630059.db2.gz WAYZRIVVNCKHNO-MEDUHNTESA-N 0 0 347.440 1.644 10 0 EDAERN COCCC1(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000157941456 442630705 /nfs/dbraw/zinc/63/07/05/442630705.db2.gz VEUBGUKLPWUPHZ-GFCCVEGCSA-N 0 0 340.445 1.718 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135799757 442634867 /nfs/dbraw/zinc/63/48/67/442634867.db2.gz GFBVUIILRMCSRB-JSGCOSHPSA-N 0 0 329.356 1.473 10 0 EDAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187624220 442682671 /nfs/dbraw/zinc/68/26/71/442682671.db2.gz HNPKGAASUHFRSY-MELADBBJSA-N 0 0 340.470 1.204 10 0 EDAERN COC[C@@H]1CN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)C[C@@H](C)O1 ZINC000187656906 442684520 /nfs/dbraw/zinc/68/45/20/442684520.db2.gz CMBKPSAQIFPIFO-AGIUHOORSA-N 0 0 337.424 1.121 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)[C@@H](O)C3CCCCC3)CC2)cn1 ZINC000187797631 442693005 /nfs/dbraw/zinc/69/30/05/442693005.db2.gz JWBQJWWALCKMDN-KRWDZBQOSA-N 0 0 334.464 1.396 10 0 EDAERN COc1ccc(F)cc1CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000187910706 442697413 /nfs/dbraw/zinc/69/74/13/442697413.db2.gz VYHFWVMSWSUWIS-AWEZNQCLSA-N 0 0 349.366 1.544 10 0 EDAERN O=C(NC1CN(S(=O)(=O)/C=C/c2cccc(Cl)c2)C1)C1CC1 ZINC000187915073 442697839 /nfs/dbraw/zinc/69/78/39/442697839.db2.gz NGJZIHHLCRJFHI-VOTSOKGWSA-N 0 0 340.832 1.851 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N[C@H]1CCCOCC1 ZINC000181627578 442707581 /nfs/dbraw/zinc/70/75/81/442707581.db2.gz RONWMWWUSCZCNY-GXTWGEPZSA-N 0 0 338.429 1.773 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(=O)[nH]c(C(C)C)c3)CCO2)[nH]1 ZINC000181471230 442699009 /nfs/dbraw/zinc/69/90/09/442699009.db2.gz NQMWTMSGEZABSD-CYBMUJFWSA-N 0 0 331.376 1.551 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3cccc(OC)n3)CCO2)cn1 ZINC000188031752 442704159 /nfs/dbraw/zinc/70/41/59/442704159.db2.gz RBQSWBPMPUZEGW-OAHLLOKOSA-N 0 0 345.403 1.590 10 0 EDAERN CCCN(CCO)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000193016508 442705891 /nfs/dbraw/zinc/70/58/91/442705891.db2.gz LEWJQZAZAATKOE-LBPRGKRZSA-N 0 0 328.434 1.565 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc(Cl)cn3)CCO2)[nH]1 ZINC000180846613 442664720 /nfs/dbraw/zinc/66/47/20/442664720.db2.gz OHANCFJNNADLTH-GFCCVEGCSA-N 0 0 336.783 1.445 10 0 EDAERN CCc1noc([C@@H](C)N2CCN([C@@H](C)c3nc(C)cc(=O)[nH]3)CC2)n1 ZINC000192576132 442664812 /nfs/dbraw/zinc/66/48/12/442664812.db2.gz ANBNXRXRVKRXRC-QWHCGFSZSA-N 0 0 346.435 1.876 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC000192580766 442665542 /nfs/dbraw/zinc/66/55/42/442665542.db2.gz PLTJKKURWIZJOT-XJKSGUPXSA-N 0 0 334.464 1.354 10 0 EDAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nc(C(C)(C)C)no1 ZINC000187361683 442672145 /nfs/dbraw/zinc/67/21/45/442672145.db2.gz OJXBQTBSJCJFDF-SECBINFHSA-N 0 0 335.408 1.348 10 0 EDAERN C[C@@H](NC(=O)N[C@H](CCO)c1ccco1)c1nnc2n1CCCC2 ZINC000187371135 442672434 /nfs/dbraw/zinc/67/24/34/442672434.db2.gz QXGISZLQYLKAIJ-VXGBXAGGSA-N 0 0 333.392 1.691 10 0 EDAERN COCc1cc(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)ncn1 ZINC000181000716 442673760 /nfs/dbraw/zinc/67/37/60/442673760.db2.gz MUGGDMAQKOEUMU-AWEZNQCLSA-N 0 0 330.392 1.997 10 0 EDAERN O=C(N[C@H]1CCCOCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000181769766 442715284 /nfs/dbraw/zinc/71/52/84/442715284.db2.gz RESFPFJEILAAPP-ROUUACIJSA-N 0 0 347.459 1.616 10 0 EDAERN COC(=O)c1cc(NC(=O)[C@@H]2CNC(=O)C2)ccc1Br ZINC000181995194 442726396 /nfs/dbraw/zinc/72/63/96/442726396.db2.gz POKSKSLTJOSXLN-ZETCQYMHSA-N 0 0 341.161 1.310 10 0 EDAERN C[NH+](C)C[C@@H]1CN(C(=O)c2ncccc2Br)CCO1 ZINC000193286036 442729438 /nfs/dbraw/zinc/72/94/38/442729438.db2.gz DPVXXIQPXUYTQF-SNVBAGLBSA-N 0 0 328.210 1.247 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCCc3cnn(C)c3)CCO2)cn1 ZINC000188361825 442743183 /nfs/dbraw/zinc/74/31/83/442743183.db2.gz SWEDYEVZQVAOGD-MRXNPFEDSA-N 0 0 346.435 1.352 10 0 EDAERN COCCN1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000181688447 442709553 /nfs/dbraw/zinc/70/95/53/442709553.db2.gz GIUCUUYFRKAFHW-INIZCTEOSA-N 0 0 339.524 1.924 10 0 EDAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)c(C)n1Cc1ccccn1 ZINC000188095393 442710864 /nfs/dbraw/zinc/71/08/64/442710864.db2.gz SWDMMTAZJVFVFX-OAHLLOKOSA-N 0 0 340.427 1.899 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@@H](O)C1CCCCC1)CC2 ZINC000181754944 442714994 /nfs/dbraw/zinc/71/49/94/442714994.db2.gz ANIYSWGWAVCFBU-LSDHHAIUSA-N 0 0 349.479 1.957 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C ZINC000246533557 442789846 /nfs/dbraw/zinc/78/98/46/442789846.db2.gz SHTJJDGYBXJKMY-WBMJQRKESA-N 0 0 347.459 1.669 10 0 EDAERN Cc1cc(COCC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)on1 ZINC000193605237 442758818 /nfs/dbraw/zinc/75/88/18/442758818.db2.gz ZIEKVIYFEMPINO-ZDUSSCGKSA-N 0 0 334.376 1.672 10 0 EDAERN CN(C(=O)c1cn2ccnc2s1)[C@H]1CCCN(c2cccnn2)C1 ZINC000188525284 442760301 /nfs/dbraw/zinc/76/03/01/442760301.db2.gz UCHFTHIUWCLBLW-LBPRGKRZSA-N 0 0 342.428 1.927 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)C1 ZINC000188556252 442763100 /nfs/dbraw/zinc/76/31/00/442763100.db2.gz FUVQUIPJYHUMCO-UHFFFAOYSA-N 0 0 335.385 1.159 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000182401964 442763947 /nfs/dbraw/zinc/76/39/47/442763947.db2.gz HYFSBCNCEAFYIZ-LBPRGKRZSA-N 0 0 336.436 1.812 10 0 EDAERN CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000182458465 442770377 /nfs/dbraw/zinc/77/03/77/442770377.db2.gz QRAORUNEVCKOBP-UHFFFAOYSA-N 0 0 334.420 1.983 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000182511496 442778836 /nfs/dbraw/zinc/77/88/36/442778836.db2.gz BARMGRSJAZMMJV-INIZCTEOSA-N 0 0 338.411 1.920 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188876527 442832965 /nfs/dbraw/zinc/83/29/65/442832965.db2.gz YNCLPCVDNHIPMI-OLZOCXBDSA-N 0 0 342.442 1.750 10 0 EDAERN C=Cn1cc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)cn1 ZINC000193915046 442811537 /nfs/dbraw/zinc/81/15/37/442811537.db2.gz WSGLDQOUTBTQML-SFHVURJKSA-N 0 0 342.443 1.541 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000188799522 442816216 /nfs/dbraw/zinc/81/62/16/442816216.db2.gz NKSZXMQXEGEUOG-XOKHGSTOSA-N 0 0 330.428 1.897 10 0 EDAERN COCCS(=O)(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193954705 442818521 /nfs/dbraw/zinc/81/85/21/442818521.db2.gz QXMRWHHUWHKLQQ-NSHDSACASA-N 0 0 348.490 1.790 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000188811364 442819361 /nfs/dbraw/zinc/81/93/61/442819361.db2.gz CFMKGRUHGPNMND-TZMCWYRMSA-N 0 0 348.369 1.974 10 0 EDAERN CC[C@H]1CN(C(=O)c2nc3cccnc3s2)CCN1C[C@@H](C)O ZINC000193965775 442820636 /nfs/dbraw/zinc/82/06/36/442820636.db2.gz NVNQLNFEUNELOD-NEPJUHHUSA-N 0 0 334.445 1.609 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(COc2ccccc2F)on1 ZINC000188930602 442843491 /nfs/dbraw/zinc/84/34/91/442843491.db2.gz YSCYSZJOZOUCOT-NSHDSACASA-N 0 0 347.346 1.743 10 0 EDAERN CSc1ncc(Cl)c(C(=O)N2CCC[C@@H](NC(C)=O)C2)n1 ZINC000194152498 442852399 /nfs/dbraw/zinc/85/23/99/442852399.db2.gz LLARBXXERALFJI-SECBINFHSA-N 0 0 328.825 1.593 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@H]2CCOc3ccccc32)cn1 ZINC000194258934 442866943 /nfs/dbraw/zinc/86/69/43/442866943.db2.gz HYLSKAHYTXFAHE-ZDUSSCGKSA-N 0 0 329.360 1.274 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000183041038 442869346 /nfs/dbraw/zinc/86/93/46/442869346.db2.gz SNDYNUZGVKNDLV-CYBMUJFWSA-N 0 0 325.372 1.275 10 0 EDAERN CCn1cc([C@@H]2CN(S(=O)(=O)CC3CCCC3)CCO2)cn1 ZINC000189231312 442901344 /nfs/dbraw/zinc/90/13/44/442901344.db2.gz FOAQLCAXFAUYQE-HNNXBMFYSA-N 0 0 327.450 1.796 10 0 EDAERN CC[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)Oc1ccccc1F ZINC000189216019 442899460 /nfs/dbraw/zinc/89/94/60/442899460.db2.gz SXDBTBUEYHHEBH-UMVBOHGHSA-N 0 0 338.379 1.081 10 0 EDAERN C[C@@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC(C)(C)C1 ZINC000248580453 442902803 /nfs/dbraw/zinc/90/28/03/442902803.db2.gz PZECEDLOYWYEHW-HZSPNIEDSA-N 0 0 330.494 1.941 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)NCCCCO)c2cccs2)CCO1 ZINC000194486523 442905874 /nfs/dbraw/zinc/90/58/74/442905874.db2.gz CIYXZFZHXIWANP-KBPBESRZSA-N 0 0 341.477 1.582 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000189266464 442908245 /nfs/dbraw/zinc/90/82/45/442908245.db2.gz UXVYDIVZPPPOMG-SNVBAGLBSA-N 0 0 332.372 1.393 10 0 EDAERN CCc1ccc(N2C[C@@H](C(=O)NC[C@H]3CN(C)CCO3)CC2=O)cc1 ZINC000194638457 442928735 /nfs/dbraw/zinc/92/87/35/442928735.db2.gz CXIBESNEODCSGM-RDJZCZTQSA-N 0 0 345.443 1.049 10 0 EDAERN CCn1c(C)nnc1CSc1nnnn1Cc1ccc(OC)cc1 ZINC000194685070 442937663 /nfs/dbraw/zinc/93/76/63/442937663.db2.gz WJMPXMDMLQCNMO-UHFFFAOYSA-N 0 0 345.432 1.942 10 0 EDAERN CSc1ncc(Cl)c(C(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000189396749 442939400 /nfs/dbraw/zinc/93/94/00/442939400.db2.gz LDNXBZCRSDYQQO-UHFFFAOYSA-N 0 0 326.809 1.203 10 0 EDAERN CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC1Cc2ccccc2C1 ZINC000183571509 442942162 /nfs/dbraw/zinc/94/21/62/442942162.db2.gz JWTRUQUMIAMDED-MRXNPFEDSA-N 0 0 346.427 1.906 10 0 EDAERN CC1CCN(c2ccc(C(=O)N3CC(NC(=O)C4CC4)C3)cn2)CC1 ZINC000189412066 442945426 /nfs/dbraw/zinc/94/54/26/442945426.db2.gz IRWCOKHEZTWZLR-UHFFFAOYSA-N 0 0 342.443 1.669 10 0 EDAERN CCc1cc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc(=O)[nH]1 ZINC000187579706 318555910 /nfs/dbraw/zinc/55/59/10/318555910.db2.gz IHEMBRSCLLYEKE-ZFWWWQNUSA-N 0 0 332.425 1.847 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000183758391 442960977 /nfs/dbraw/zinc/96/09/77/442960977.db2.gz ZOTPMTTVAHWUIU-CYBMUJFWSA-N 0 0 338.408 1.317 10 0 EDAERN CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195097421 442982069 /nfs/dbraw/zinc/98/20/69/442982069.db2.gz HVFMQIFCKCIYAF-ZDUSSCGKSA-N 0 0 337.445 1.368 10 0 EDAERN CC(C)NS(=O)(=O)CCNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000195182928 442994506 /nfs/dbraw/zinc/99/45/06/442994506.db2.gz JCQBHSFZYMHGFX-UHFFFAOYSA-N 0 0 343.493 1.438 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000184152386 442997235 /nfs/dbraw/zinc/99/72/35/442997235.db2.gz YWSKWTLUDUFMAW-CQSZACIVSA-N 0 0 344.452 1.616 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CN1CCCCCC1=O)CC2 ZINC000195291582 443005380 /nfs/dbraw/zinc/00/53/80/443005380.db2.gz ZEHNHAOFETYVLS-ZDUSSCGKSA-N 0 0 333.436 1.235 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]2CCO)C1 ZINC000251994908 443020705 /nfs/dbraw/zinc/02/07/05/443020705.db2.gz VPKWTKJZZBMUIZ-ZNMIVQPWSA-N 0 0 325.453 1.628 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000189898341 443025646 /nfs/dbraw/zinc/02/56/46/443025646.db2.gz UXFQLUOPZDQVJP-ZACQAIPSSA-N 0 0 348.443 1.115 10 0 EDAERN O[C@H](COC[C@@H]1CCCO1)CN1CCO[C@H](c2nccs2)C1 ZINC000195521950 443028192 /nfs/dbraw/zinc/02/81/92/443028192.db2.gz VGLRZTKXCHYYLZ-IHRRRGAJSA-N 0 0 328.434 1.073 10 0 EDAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)C[C@@H](C)O1 ZINC000252499025 443035138 /nfs/dbraw/zinc/03/51/38/443035138.db2.gz RTWSALQONHOWEV-CBBWQLFWSA-N 0 0 342.436 1.552 10 0 EDAERN COCCN1CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)C[C@H]1C ZINC000255246936 443091169 /nfs/dbraw/zinc/09/11/69/443091169.db2.gz JRUKVUIQXQKSLG-KXQLTZBTSA-N 0 0 332.400 1.608 10 0 EDAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ncc(C(N)=O)cc2Cl)C1 ZINC000190086082 443055159 /nfs/dbraw/zinc/05/51/59/443055159.db2.gz UJAACNMCZGVCDD-ONGXEEELSA-N 0 0 337.767 1.492 10 0 EDAERN CC(C)(c1nc(I)ns1)S(C)(=O)=O ZINC000230111805 443133239 /nfs/dbraw/zinc/13/32/39/443133239.db2.gz XANDFQJWVFYKOM-UHFFFAOYSA-N 0 0 332.188 1.422 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NOC[C@H]3CCOC3)C2)n1 ZINC000190434770 443108606 /nfs/dbraw/zinc/10/86/06/443108606.db2.gz OPZYZBQPMITSME-GJZGRUSLSA-N 0 0 337.424 1.285 10 0 EDAERN CC(=O)NC1CN(C(=O)CSCc2coc(-c3ccccc3)n2)C1 ZINC000190473733 443115642 /nfs/dbraw/zinc/11/56/42/443115642.db2.gz WSGAIEZDISRUDD-UHFFFAOYSA-N 0 0 345.424 1.922 10 0 EDAERN Cn1cc(-c2cc(CN3CCO[C@@H](Cn4cccn4)C3)on2)cn1 ZINC000184999696 443115676 /nfs/dbraw/zinc/11/56/76/443115676.db2.gz FJBBFTVXDDTNAA-OAHLLOKOSA-N 0 0 328.376 1.173 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccccc2SCc2nc(C)no2)C1 ZINC000190520878 443126452 /nfs/dbraw/zinc/12/64/52/443126452.db2.gz OOOHUDVGNFVBCZ-UHFFFAOYSA-N 0 0 346.412 1.631 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)cn1 ZINC000190727762 443171448 /nfs/dbraw/zinc/17/14/48/443171448.db2.gz JCBWGUZFNVQSMU-MRXNPFEDSA-N 0 0 332.404 1.528 10 0 EDAERN CC(C)OCCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000185275825 443174293 /nfs/dbraw/zinc/17/42/93/443174293.db2.gz QXWMCRRRZGAXAP-ZDUSSCGKSA-N 0 0 326.418 1.629 10 0 EDAERN CCCOc1ccc(Cl)cc1C(=O)N1CC(NC(=O)COC)C1 ZINC000185291341 443177802 /nfs/dbraw/zinc/17/78/02/443177802.db2.gz SXIRZOKQGLTTIQ-UHFFFAOYSA-N 0 0 340.807 1.716 10 0 EDAERN O[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000238809168 443196923 /nfs/dbraw/zinc/19/69/23/443196923.db2.gz LJLFYCLESOMKAW-MKCDUFERSA-N 0 0 340.416 1.611 10 0 EDAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000185165775 443151912 /nfs/dbraw/zinc/15/19/12/443151912.db2.gz ANLANYHGWDTTGO-GGPKGHCWSA-N 0 0 346.471 1.852 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000190676200 443162506 /nfs/dbraw/zinc/16/25/06/443162506.db2.gz LKESVDQXXOHMMQ-QMMMGPOBSA-N 0 0 327.743 1.155 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCCCn2cccn2)C12CCOCC2 ZINC000185565349 443219732 /nfs/dbraw/zinc/21/97/32/443219732.db2.gz LLICNVBUYINJLH-CABCVRRESA-N 0 0 336.436 1.547 10 0 EDAERN C[C@@H](NCc1nnnn1CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000191025404 443227264 /nfs/dbraw/zinc/22/72/64/443227264.db2.gz OPCKEKGIVNYCKQ-SECBINFHSA-N 0 0 343.309 1.857 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3nnc(C)s3)CC2)n1 ZINC000185433849 443199309 /nfs/dbraw/zinc/19/93/09/443199309.db2.gz WVNACAZGPOBTRE-VIFPVBQESA-N 0 0 336.421 1.311 10 0 EDAERN Cc1ccc(I)cc1NC(=O)[C@H]1COCCN1 ZINC000383127123 319125531 /nfs/dbraw/zinc/12/55/31/319125531.db2.gz HVVQGVVSOOAAOJ-LLVKDONJSA-N 0 0 346.168 1.527 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(=O)OCc2ccccc2)C1 ZINC000191215028 443260044 /nfs/dbraw/zinc/26/00/44/443260044.db2.gz ZAEPJZMJFQQLDB-MRXNPFEDSA-N 0 0 333.432 1.856 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCc2cnn(C)c2C)C12CCOCC2 ZINC000185905505 443280546 /nfs/dbraw/zinc/28/05/46/443280546.db2.gz FVAOAYQDEWZTAX-LSDHHAIUSA-N 0 0 336.436 1.502 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000191421835 443292797 /nfs/dbraw/zinc/29/27/97/443292797.db2.gz YEXUOLHQCSCVHV-ZETCQYMHSA-N 0 0 336.339 1.582 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NC2CC[NH+](C)CC2)C12CCOCC2 ZINC000185807015 443261069 /nfs/dbraw/zinc/26/10/69/443261069.db2.gz MOHRHBFWWKGTJX-GJZGRUSLSA-N 0 0 325.453 1.354 10 0 EDAERN CCOC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000186039232 443301636 /nfs/dbraw/zinc/30/16/36/443301636.db2.gz NCCVFRLPVRNGHC-LSDHHAIUSA-N 0 0 349.435 1.596 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)/C=C\c2cncc(O)c2)C12CCOCC2 ZINC000492706799 320383171 /nfs/dbraw/zinc/38/31/71/320383171.db2.gz OAECWMMIDOVGCK-MYIWKSEUSA-N 0 0 332.400 1.891 10 0 EDAERN CC(=O)N1CC[C@@H](C(=O)N2CCC[C@H](Nc3ccc(N)nc3)CC2)C1 ZINC000328630949 444403407 /nfs/dbraw/zinc/40/34/07/444403407.db2.gz JYHPPUJGVUOESI-CABCVRRESA-N 0 0 345.447 1.325 10 0 EDAERN CCCc1n[nH]cc1C(=O)N1CCN(CC)[C@H](c2nccn2C)C1 ZINC000328637596 444407932 /nfs/dbraw/zinc/40/79/32/444407932.db2.gz WBECPEJSJUWYBQ-HNNXBMFYSA-N 0 0 330.436 1.615 10 0 EDAERN Cc1nnc([C@H]2COCCN2C(=O)c2cnc3ccc(C)cn32)o1 ZINC000328610680 444392293 /nfs/dbraw/zinc/39/22/93/444392293.db2.gz ISUBNQDKJJCYHJ-CYBMUJFWSA-N 0 0 327.344 1.548 10 0 EDAERN Cc1noc([C@H](NC(=O)c2cccc3nccn32)C2CCOCC2)n1 ZINC000328612231 444393520 /nfs/dbraw/zinc/39/35/20/444393520.db2.gz OBRZVYHZKMCTGD-OAHLLOKOSA-N 0 0 341.371 1.923 10 0 EDAERN CN1CCO[C@H](CN(CC(N)=O)C(=O)COC2CCCCC2)C1 ZINC000328627814 444401646 /nfs/dbraw/zinc/40/16/46/444401646.db2.gz GOKLLRSFWMRVNJ-AWEZNQCLSA-N 0 0 327.425 1.030 10 0 EDAERN Cn1ncnc1[C@@H]1COCCN1C(=O)CCc1ccc2[nH]ccc2c1 ZINC000375168708 446620370 /nfs/dbraw/zinc/62/03/70/446620370.db2.gz SHAOVTZHLOOOGT-INIZCTEOSA-N 0 0 339.399 1.829 10 0 EDAERN C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173556 450434017 /nfs/dbraw/zinc/43/40/17/450434017.db2.gz PPNBTGGNYAODFN-NOZJJQNGSA-N 0 0 343.387 1.761 10 0 EDAERN COc1ncc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000376005169 447205332 /nfs/dbraw/zinc/20/53/32/447205332.db2.gz AKUWEEYCYXUJLL-GFCCVEGCSA-N 0 0 335.795 1.596 10 0 EDAERN COC(=O)Cc1c(I)cc(N)cc1[N+](=O)[O-] ZINC000575641410 447878726 /nfs/dbraw/zinc/87/87/26/447878726.db2.gz TXPJOMGWCWOGKP-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN COC(=O)Cc1ccc([N+](=O)[O-])c(N)c1I ZINC000575641361 447878992 /nfs/dbraw/zinc/87/89/92/447878992.db2.gz RHFBTCUFAKOKQQ-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN COC(=O)Cc1c(N)c([N+](=O)[O-])ccc1I ZINC000575641845 447879106 /nfs/dbraw/zinc/87/91/06/447879106.db2.gz WNYYTMDUELNTJD-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN COc1cc(Br)cc(OC(F)F)c1S(N)(=O)=O ZINC000575684558 447880279 /nfs/dbraw/zinc/88/02/79/447880279.db2.gz RDNZBMJBNBRRPM-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN COc1c(F)c(S(N)(=O)=O)ccc1I ZINC000575705973 447882178 /nfs/dbraw/zinc/88/21/78/447882178.db2.gz UDQLVTZDRHLLHF-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN Cc1c(C(=O)NC[C@@H]2C[C@@H](c3nnc[nH]3)C[C@@H]2O)ccn1C(C)C ZINC000527558446 448282307 /nfs/dbraw/zinc/28/23/07/448282307.db2.gz AIBLIWJIXWGSMZ-IPYPFGDCSA-N 0 0 331.420 1.780 10 0 EDAERN Cc1cccc(OCCC(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000583617658 448445265 /nfs/dbraw/zinc/44/52/65/448445265.db2.gz AHSUYGFCMQTRCV-QGZVFWFLSA-N 0 0 330.388 1.392 10 0 EDAERN CN1C(=O)C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1c1cccnc1 ZINC000583619480 448449947 /nfs/dbraw/zinc/44/99/47/448449947.db2.gz KJBDABGFTBBCFL-CJNGLKHVSA-N 0 0 326.356 1.649 10 0 EDAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ncccc1O ZINC000583621804 448453078 /nfs/dbraw/zinc/45/30/78/448453078.db2.gz UJYNVKIVOCQAMK-QWRGUYRKSA-N 0 0 336.392 1.586 10 0 EDAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C/C=C\c2ccc(F)cc2F)CCO1 ZINC000520539528 448907997 /nfs/dbraw/zinc/90/79/97/448907997.db2.gz CPBWEOKQSGHYIE-MPNWYJEXSA-N 0 0 340.370 1.695 10 0 EDAERN CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2nnnn2C2CC2)C1 ZINC000548336422 449022275 /nfs/dbraw/zinc/02/22/75/449022275.db2.gz IBSXDQOTMIESOD-OAHLLOKOSA-N 0 0 347.448 1.010 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)NCc2occc2C)[C@H]1c1cnn(C)c1C ZINC000615185631 449993664 /nfs/dbraw/zinc/99/36/64/449993664.db2.gz QFJRADUJAXFIQS-GUYCJALGSA-N 0 0 344.415 1.856 10 0 EDAERN CCn1ccnc1Cn1cccc(I)c1=O ZINC000603345159 450255728 /nfs/dbraw/zinc/25/57/28/450255728.db2.gz YEKSFAJFSICWMR-UHFFFAOYSA-N 0 0 329.141 1.718 10 0 EDAERN C[C@@H]1C[C@@H](O)CN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)C1 ZINC000616146386 450334940 /nfs/dbraw/zinc/33/49/40/450334940.db2.gz NGMDDQBRLUVUSL-FVQBIDKESA-N 0 0 331.416 1.372 10 0 EDAERN CC(=O)Nc1ccccc1[C@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616584847 450453837 /nfs/dbraw/zinc/45/38/37/450453837.db2.gz MRIRMFJYFGAINK-OAHLLOKOSA-N 0 0 346.412 1.822 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1S(N)(=O)=O ZINC000616594459 450454440 /nfs/dbraw/zinc/45/44/40/450454440.db2.gz LZUVLZMHMADXCP-GFCCVEGCSA-N 0 0 341.433 1.536 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616604286 450455718 /nfs/dbraw/zinc/45/57/18/450455718.db2.gz TYVWPWKQTQQCLK-GOSISDBHSA-N 0 0 347.436 1.984 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1ccnc(N)c1 ZINC000616657207 450457578 /nfs/dbraw/zinc/45/75/78/450457578.db2.gz RNNJSQLXDARJLO-AWEZNQCLSA-N 0 0 336.436 1.952 10 0 EDAERN NC(=O)c1ccccc1[C@H]1CCc2ccccc2N1S(N)(=O)=O ZINC000616669158 450458479 /nfs/dbraw/zinc/45/84/79/450458479.db2.gz PSLVPNIBCCDOSB-OAHLLOKOSA-N 0 0 331.397 1.483 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2ccc3ccnnc3c2)Cc2ccccc21 ZINC000616671118 450458964 /nfs/dbraw/zinc/45/89/64/450458964.db2.gz YNQTTYLDMWGBGO-OAHLLOKOSA-N 0 0 340.408 1.980 10 0 EDAERN NS(=O)(=O)N1CC[C@@H](c2ccc(CCO)cc2)c2ccccc21 ZINC000616675284 450459601 /nfs/dbraw/zinc/45/96/01/450459601.db2.gz BASNEYYZOCLBBJ-HNNXBMFYSA-N 0 0 332.425 1.767 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccc(F)cc1Br ZINC000633930133 451114882 /nfs/dbraw/zinc/11/48/82/451114882.db2.gz RIJZGERBECRJSO-LLVKDONJSA-N 0 0 345.212 1.991 10 0 EDAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccc(Br)c(Cl)c1 ZINC000629237977 451611856 /nfs/dbraw/zinc/61/18/56/451611856.db2.gz XFNNIYFJBBWWPK-WDEREUQCSA-N 0 0 334.597 1.982 10 0 EDAERN C[C@@H](C(=O)N1CCO[C@@H](C2CCC2)C1)N1C(=O)c2ccccc2C1=O ZINC000665944498 452480614 /nfs/dbraw/zinc/48/06/14/452480614.db2.gz FVQQYZZXBXLOGB-BLLLJJGKSA-N 0 0 342.395 1.699 10 0 EDAERN CN(C)c1ncc(CN2CCC[C@@H]2c2ccc(N(C)C)nn2)n1C ZINC000643708249 452498491 /nfs/dbraw/zinc/49/84/91/452498491.db2.gz RACLZEYCJVVVHJ-OAHLLOKOSA-N 0 0 329.452 1.679 10 0 EDAERN CN(C)C(=O)C[C@]1(O)CCCN(Cc2ncn(-c3ccccc3)n2)C1 ZINC000643812955 452692216 /nfs/dbraw/zinc/69/22/16/452692216.db2.gz XDWPXKDVEMDUPW-GOSISDBHSA-N 0 0 343.431 1.073 10 0 EDAERN CN1CCS(=O)(=O)C[C@@H]1CC(=O)NC1(c2ccccc2F)CC1 ZINC000644356927 453344943 /nfs/dbraw/zinc/34/49/43/453344943.db2.gz VSJBMDSBDRZHDE-LBPRGKRZSA-N 0 0 340.420 1.050 10 0 EDAERN O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000075067299 486820579 /nfs/dbraw/zinc/82/05/79/486820579.db2.gz QWVNZVBPQNUHHX-HNNXBMFYSA-N 0 0 338.429 1.135 10 0 EDAERN Cc1cccc(CN2CCN(C(=O)CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000052856269 487354215 /nfs/dbraw/zinc/35/42/15/487354215.db2.gz UEEQJDYWSVYNMC-QZTJIDSGSA-N 0 0 345.487 1.748 10 0 EDAERN O[C@]1(Cn2ccnn2)CCN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000671550979 486649454 /nfs/dbraw/zinc/64/94/54/486649454.db2.gz LADPJINRSLCESN-MRXNPFEDSA-N 0 0 344.350 1.104 10 0 EDAERN Cc1nc2ccccc2c(C)c1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091809992 491200826 /nfs/dbraw/zinc/20/08/26/491200826.db2.gz QSDVXWCGRRMRAN-MRXNPFEDSA-N 0 0 327.384 1.107 10 0 EDAERN CC(C)(CCCc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132741616 491217001 /nfs/dbraw/zinc/21/70/01/491217001.db2.gz FGWHJXDRCWMVRY-GOSISDBHSA-N 0 0 348.487 1.845 10 0 EDAERN O=C(Nc1cnn(Cc2ccccn2)c1)N[C@H]1CCCC[C@H]1CO ZINC000081634998 491180228 /nfs/dbraw/zinc/18/02/28/491180228.db2.gz FFANASWUGSFJBQ-BBRMVZONSA-N 0 0 329.404 1.999 10 0 EDAERN COc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)ncn1 ZINC000090130613 500843548 /nfs/dbraw/zinc/84/35/48/500843548.db2.gz QNIOASSNKCBROL-BLLLJJGKSA-N 0 0 344.346 1.782 10 0 EDAERN C[C@@H](C[NH+](C)C)n1c(SCC(=O)[O-])nc2ccsc2c1=O ZINC000169082183 533734976 /nfs/dbraw/zinc/73/49/76/533734976.db2.gz BTBHHSJZEOUMGU-QMMMGPOBSA-N 0 0 327.431 1.757 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)C[C@H]1N1CCOCC1 ZINC000173836481 533869901 /nfs/dbraw/zinc/86/99/01/533869901.db2.gz FSDNUIWBVQHOBF-XJKSGUPXSA-N 0 0 342.399 1.529 10 0 EDAERN C[C@H]1CN(CC(=O)N2CCN(Cc3cccs3)CC2)CCS1 ZINC000171691887 533909493 /nfs/dbraw/zinc/90/94/93/533909493.db2.gz NCWNWNBSEIVZRE-AWEZNQCLSA-N 0 0 339.530 1.830 10 0 EDAERN COC(=O)N1CC(NC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000178700533 533918376 /nfs/dbraw/zinc/91/83/76/533918376.db2.gz HXQNGWDEBUCSEU-LBPRGKRZSA-N 0 0 343.387 1.683 10 0 EDAERN COc1ccc(F)cc1[C@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190285475 533963458 /nfs/dbraw/zinc/96/34/58/533963458.db2.gz LSVGLGVJIHLLMS-JTQLQIEISA-N 0 0 335.379 1.815 10 0 EDAERN C[C@@H]1NCC(=O)N(Cc2ccc(Br)cc2Cl)C1=O ZINC000168710889 534103232 /nfs/dbraw/zinc/10/32/32/534103232.db2.gz AHDTUXWRKRBHFL-ZETCQYMHSA-N 0 0 331.597 1.949 10 0 EDAERN Cc1cc2ncn(C[C@H](O)CN3CC(NC(=O)C4CC4)C3)c2cc1C ZINC000187978680 534136766 /nfs/dbraw/zinc/13/67/66/534136766.db2.gz BPPKOGWHHLUNIX-MRXNPFEDSA-N 0 0 342.443 1.224 10 0 EDAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000166803540 534148751 /nfs/dbraw/zinc/14/87/51/534148751.db2.gz ODWKFRUXGQKCOL-BQBZGAKWSA-N 0 0 327.233 1.871 10 0 EDAERN COC(=O)c1cccc(CS(=O)(=O)NOCC(F)(F)F)c1 ZINC000155954286 534266555 /nfs/dbraw/zinc/26/65/55/534266555.db2.gz AFRONEMRDBGEJA-UHFFFAOYSA-N 0 0 327.280 1.387 10 0 EDAERN COC(=O)c1coc(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000171561672 534315472 /nfs/dbraw/zinc/31/54/72/534315472.db2.gz NWLIEBZPQSHJDP-SFHVURJKSA-N 0 0 344.411 1.917 10 0 EDAERN O=c1ccc(S(=O)(=O)Nc2ccncc2Br)c[nH]1 ZINC000147770306 534320003 /nfs/dbraw/zinc/32/00/03/534320003.db2.gz RQRDFPRDXLXNCD-UHFFFAOYSA-N 0 0 330.163 1.333 10 0 EDAERN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173967655 534395564 /nfs/dbraw/zinc/39/55/64/534395564.db2.gz NQLZSABXLSYILG-PBHICJAKSA-N 0 0 340.427 1.869 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3ncccc3C)CC2)n1 ZINC000171806200 534437195 /nfs/dbraw/zinc/43/71/95/534437195.db2.gz TUIKFVDLBFMNET-GFCCVEGCSA-N 0 0 330.392 1.992 10 0 EDAERN O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCCn2ncnc21 ZINC000177587928 534491016 /nfs/dbraw/zinc/49/10/16/534491016.db2.gz HQCDCDWZPWXXDW-JTQLQIEISA-N 0 0 344.400 1.974 10 0 EDAERN O=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177366414 534540325 /nfs/dbraw/zinc/54/03/25/534540325.db2.gz BWXXKGHIYFGJKH-CHWSQXEVSA-N 0 0 335.795 1.799 10 0 EDAERN Cc1oc2nc(CN3CC[C@@H](N4CCOCC4)C3)nc(N)c2c1C ZINC000154044549 534559057 /nfs/dbraw/zinc/55/90/57/534559057.db2.gz VROACOJYDPBKRO-CYBMUJFWSA-N 0 0 331.420 1.328 10 0 EDAERN [NH3+]CC1(Nc2nc[n-]c(=O)c2I)CCCC1 ZINC000166070892 534592012 /nfs/dbraw/zinc/59/20/12/534592012.db2.gz UUUWISZGKOKHFT-UHFFFAOYSA-N 0 0 334.161 1.058 10 0 EDAERN Cc1nc2cc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)ccc2s1 ZINC000170564357 534639104 /nfs/dbraw/zinc/63/91/04/534639104.db2.gz ACNCLXLZKHTULW-GXSJLCMTSA-N 0 0 333.413 1.455 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000158695439 534743666 /nfs/dbraw/zinc/74/36/66/534743666.db2.gz ZXDXAODZLFZSRC-HNNXBMFYSA-N 0 0 346.435 1.080 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1cncn1-c1ccc(F)cc1 ZINC000177574449 534807284 /nfs/dbraw/zinc/80/72/84/534807284.db2.gz JYRRXANHOCHKNH-ZDUSSCGKSA-N 0 0 326.335 1.868 10 0 EDAERN C[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC[NH2+]1 ZINC000032051878 525073266 /nfs/dbraw/zinc/07/32/66/525073266.db2.gz JWVOMVNDMVBEDU-SECBINFHSA-N 0 0 346.362 1.367 10 0 EDAERN O=S(=O)(c1ccc(Cl)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000173999106 534872832 /nfs/dbraw/zinc/87/28/32/534872832.db2.gz LIFXGVCRWAGARS-GFCCVEGCSA-N 0 0 348.827 1.574 10 0 EDAERN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOC[C@@H]1CO ZINC000168656516 534874454 /nfs/dbraw/zinc/87/44/54/534874454.db2.gz ODJWSWQBZCTAOE-JTQLQIEISA-N 0 0 325.308 1.087 10 0 EDAERN O=S1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000171927784 534878507 /nfs/dbraw/zinc/87/85/07/534878507.db2.gz VCCGTUREYKOORK-GFCCVEGCSA-N 0 0 348.262 1.253 10 0 EDAERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000176611627 526519634 /nfs/dbraw/zinc/51/96/34/526519634.db2.gz VKDRQGLIDIZBGH-RYUDHWBXSA-N 0 0 335.408 1.486 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000157535998 526556062 /nfs/dbraw/zinc/55/60/62/526556062.db2.gz OKXPJCWSUJLGQD-INIZCTEOSA-N 0 0 336.432 1.326 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000189826026 526709472 /nfs/dbraw/zinc/70/94/72/526709472.db2.gz VYSSICDDISBMOC-VIFPVBQESA-N 0 0 327.331 1.879 10 0 EDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000131913514 527282776 /nfs/dbraw/zinc/28/27/76/527282776.db2.gz CDVOXILJTLTMPZ-GFCCVEGCSA-N 0 0 330.837 1.867 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173688774 527291974 /nfs/dbraw/zinc/29/19/74/527291974.db2.gz MOQBISSNJDJQGO-HNNXBMFYSA-N 0 0 341.371 1.283 10 0 EDAERN CC1(C)[C@H](Nc2ccc(S(N)(=O)=O)cc2Br)C[C@@H]1O ZINC000163976479 527877954 /nfs/dbraw/zinc/87/79/54/527877954.db2.gz RUYCZOUEJDYBAH-MNOVXSKESA-N 0 0 349.250 1.668 10 0 EDAERN CC(C)[C@H]1NC(=O)CCN(Cc2cncc(Br)c2)C1=O ZINC000168910561 527897168 /nfs/dbraw/zinc/89/71/68/527897168.db2.gz YSYWMGGNPXISLW-CYBMUJFWSA-N 0 0 340.221 1.717 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCc2cnn(C)c2)C1 ZINC000171342545 527940293 /nfs/dbraw/zinc/94/02/93/527940293.db2.gz QERMGPANFHWQBT-OAHLLOKOSA-N 0 0 335.452 1.443 10 0 EDAERN CC(C)OCCOCCS(=O)(=O)c1cccc(C(N)=S)c1 ZINC000163189367 527980466 /nfs/dbraw/zinc/98/04/66/527980466.db2.gz PHHYFYRTAYTISL-UHFFFAOYSA-N 0 0 331.459 1.536 10 0 EDAERN CC1(O)CCN(S(=O)(=O)c2ccc(N)c(Br)c2)CC1 ZINC000168472134 528044942 /nfs/dbraw/zinc/04/49/42/528044942.db2.gz YCJWLRIBBDRFOB-UHFFFAOYSA-N 0 0 349.250 1.567 10 0 EDAERN CCN(CC)c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000190166504 528301309 /nfs/dbraw/zinc/30/13/09/528301309.db2.gz BOEUKCHDRLECSA-UHFFFAOYSA-N 0 0 345.447 1.348 10 0 EDAERN CCOC(=O)c1cnn(-c2ncc(I)cn2)c1 ZINC000159240185 528310595 /nfs/dbraw/zinc/31/05/95/528310595.db2.gz JSKRYUOGAUYTCY-UHFFFAOYSA-N 0 0 344.112 1.444 10 0 EDAERN CCOC(=O)c1cnn(C)c1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000170499030 528312072 /nfs/dbraw/zinc/31/20/72/528312072.db2.gz LHXVQFRFQOPLTK-ZDUSSCGKSA-N 0 0 331.328 1.375 10 0 EDAERN CCN(CC)c1nc(N)c(C(=O)N[C@@H](C)CC[S@@](C)=O)s1 ZINC000163721346 528315955 /nfs/dbraw/zinc/31/59/55/528315955.db2.gz TUNVGNSULWMHIR-FPVGNUTFSA-N 0 0 332.495 1.458 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000184180438 528474206 /nfs/dbraw/zinc/47/42/06/528474206.db2.gz NJPUMVALURACJL-MRXNPFEDSA-N 0 0 334.416 1.347 10 0 EDAERN CCCNc1ccncc1S(=O)(=O)NC1CCS(=O)CC1 ZINC000159082762 528573762 /nfs/dbraw/zinc/57/37/62/528573762.db2.gz JXVVGYYMJNWNPW-UHFFFAOYSA-N 0 0 331.463 1.093 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000181293489 528579064 /nfs/dbraw/zinc/57/90/64/528579064.db2.gz HHUCWNMGBZIPKJ-LBPRGKRZSA-N 0 0 336.417 1.392 10 0 EDAERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177574569 528579282 /nfs/dbraw/zinc/57/92/82/528579282.db2.gz DWNXNQWAXMLTSV-DGCLKSJQSA-N 0 0 347.444 1.745 10 0 EDAERN CCCn1c(-c2cc3c(s2)CCCC3)nnc1S(N)(=O)=O ZINC000158419696 528807607 /nfs/dbraw/zinc/80/76/07/528807607.db2.gz XSBSDJGQYWIZAQ-UHFFFAOYSA-N 0 0 326.447 1.943 10 0 EDAERN CCCC[C@H](C[NH3+])Nc1nc[n-]c(=O)c1I ZINC000166116999 528958841 /nfs/dbraw/zinc/95/88/41/528958841.db2.gz VZPQHNIPOMNJLC-SSDOTTSWSA-N 0 0 336.177 1.304 10 0 EDAERN CCN1CCN(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)C(=O)C1=O ZINC000181104423 529138733 /nfs/dbraw/zinc/13/87/33/529138733.db2.gz BJEKBSSAEVJNPK-DYVFJYSZSA-N 0 0 343.427 1.035 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)Oc2ccccc2)CC1 ZINC000181762406 529226986 /nfs/dbraw/zinc/22/69/86/529226986.db2.gz OGQGSWZAGSWOJW-HZPDHXFCSA-N 0 0 335.448 1.552 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000171652176 529228131 /nfs/dbraw/zinc/22/81/31/529228131.db2.gz HGGKLNFCQFVYTF-QGZVFWFLSA-N 0 0 328.416 1.401 10 0 EDAERN CC[C@@H]1C(=O)N[C@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168875837 529266244 /nfs/dbraw/zinc/26/62/44/529266244.db2.gz NWTCMOKIKTWYED-LDYMZIIASA-N 0 0 326.194 1.470 10 0 EDAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247242475 534921724 /nfs/dbraw/zinc/92/17/24/534921724.db2.gz SKKBTVZMRHOJEI-ILXRZTDVSA-N 0 0 347.459 1.603 10 0 EDAERN CC(C)[C@H](C)CNC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000190280796 534940725 /nfs/dbraw/zinc/94/07/25/534940725.db2.gz PWFWFTFPYCONFX-TZMCWYRMSA-N 0 0 342.465 1.193 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000091044341 535016448 /nfs/dbraw/zinc/01/64/48/535016448.db2.gz JPFGSJRVNGXCDU-CQSZACIVSA-N 0 0 336.417 1.879 10 0 EDAERN CCCCC[C@@H](C)NC(=O)CN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000248719472 535114699 /nfs/dbraw/zinc/11/46/99/535114699.db2.gz LGHHBPNWBBFEDM-HZPDHXFCSA-N 0 0 341.496 1.942 10 0 EDAERN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000245717294 535260329 /nfs/dbraw/zinc/26/03/29/535260329.db2.gz GVCRDHWWDGFXLI-ZYHUDNBSSA-N 0 0 330.475 1.610 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000247221805 535645373 /nfs/dbraw/zinc/64/53/73/535645373.db2.gz QPNVUXPRBBXJTD-BFHYXJOUSA-N 0 0 337.468 1.750 10 0 EDAERN CCc1nnsc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000109922673 535864818 /nfs/dbraw/zinc/86/48/18/535864818.db2.gz XJSUFSMTEDDFIF-UHFFFAOYSA-N 0 0 336.421 1.140 10 0 EDAERN CN(C)c1nc2ccc(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)cc2o1 ZINC000333065784 536157394 /nfs/dbraw/zinc/15/73/94/536157394.db2.gz NWFPSTQQWMFYMO-DGCLKSJQSA-N 0 0 343.387 1.636 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cccc(COC)c1)CC2 ZINC000189615947 536162070 /nfs/dbraw/zinc/16/20/70/536162070.db2.gz CKWUWFWEWLPETF-OAHLLOKOSA-N 0 0 328.416 1.661 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)Cc1ccccc1)CC2 ZINC000114976816 536163829 /nfs/dbraw/zinc/16/38/29/536163829.db2.gz XJOJZKGOTUCHMN-CABCVRRESA-N 0 0 343.431 1.058 10 0 EDAERN CN[C@H](C(=O)NCc1ccc(NC(=O)C(C)C)cc1)c1cnn(C)c1 ZINC000262261590 536384784 /nfs/dbraw/zinc/38/47/84/536384784.db2.gz UNAFMSQSCCVUAI-INIZCTEOSA-N 0 0 343.431 1.592 10 0 EDAERN COc1ccc(C(=O)CCCC(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188090524 536677498 /nfs/dbraw/zinc/67/74/98/536677498.db2.gz JJQLYCDXHQFADO-CYBMUJFWSA-N 0 0 332.400 1.785 10 0 EDAERN COCCOc1cccc(CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000053997122 536716105 /nfs/dbraw/zinc/71/61/05/536716105.db2.gz DJYFOEIESCHDFY-CYBMUJFWSA-N 0 0 346.383 1.740 10 0 EDAERN COCCS(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248356563 536754388 /nfs/dbraw/zinc/75/43/88/536754388.db2.gz OLIIJHMRSCEBCT-QWHCGFSZSA-N 0 0 348.490 1.076 10 0 EDAERN COc1ccccc1N1CCN(C(=O)c2nn3cnnc3s2)CC1 ZINC000049659824 537068037 /nfs/dbraw/zinc/06/80/37/537068037.db2.gz HKASZKWIMDBKJN-UHFFFAOYSA-N 0 0 344.400 1.157 10 0 EDAERN O[C@@]12COc3c4c(ccc3[C@@H]1Oc1cc3c(cc12)OCO3)OCO4 ZINC000001531700 560181501 /nfs/dbraw/zinc/18/15/01/560181501.db2.gz OOCFJEXFOZXGCV-DLBZAZTESA-N 0 0 328.276 1.858 10 0 in-vitro EDAERN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000793897026 580859283 /nfs/dbraw/zinc/85/92/83/580859283.db2.gz RBDDGDIIGMDURS-OAHLLOKOSA-N 0 0 336.417 1.094 10 0 EDAERN O=S(=O)(Cc1ccccc1F)[N-]c1ccc([C@H]2CCC[NH2+]2)nn1 ZINC000888076015 590929674 /nfs/dbraw/zinc/92/96/74/590929674.db2.gz NUXBXPYMBLKQRY-CYBMUJFWSA-N 0 0 336.392 1.982 10 0 EDAERN O=S(=O)(Cc1ccccc1F)[N-]c1ccc([C@@H]2CCC[NH2+]2)nn1 ZINC000888076016 590929776 /nfs/dbraw/zinc/92/97/76/590929776.db2.gz NUXBXPYMBLKQRY-ZDUSSCGKSA-N 0 0 336.392 1.982 10 0 EDAERN CCC(CC)n1ccc(CN2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000888077788 590933977 /nfs/dbraw/zinc/93/39/77/590933977.db2.gz VBJWGULZTXZYJZ-SFHVURJKSA-N 0 0 346.479 1.942 10 0 EDAERN Cc1nc(C)n([C@H]2CCCN(c3nnnn3Cc3ccccc3)C2)n1 ZINC000892385086 591004380 /nfs/dbraw/zinc/00/43/80/591004380.db2.gz BYVMBRJBKJUJDA-INIZCTEOSA-N 0 0 338.419 1.771 10 0 EDAERN Cc1nc2c(cccc2C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)o1 ZINC000888093599 591023778 /nfs/dbraw/zinc/02/37/78/591023778.db2.gz JIAWDSLSCXKQKK-DZGCQCFKSA-N 0 0 342.355 1.446 10 0 EDAERN Cn1ccc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)N2Cc2ccccc2)c1 ZINC000888094901 591024361 /nfs/dbraw/zinc/02/43/61/591024361.db2.gz FXLFRQATNPRZPB-DLBZAZTESA-N 0 0 340.427 1.160 10 0 EDAERN Cc1noc([C@]23CCC[C@H]2CN(c2cncc(OCCO)n2)C3)n1 ZINC000888097599 591027982 /nfs/dbraw/zinc/02/79/82/591027982.db2.gz KSQRENKDBRCHJK-LRDDRELGSA-N 0 0 331.376 1.097 10 0 EDAERN CCc1ccc(C(=O)N2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)o1 ZINC000888098430 591028997 /nfs/dbraw/zinc/02/89/97/591028997.db2.gz KULDRIZWFUSRCT-NSHDSACASA-N 0 0 344.371 1.374 10 0 EDAERN CN1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)n[nH]1 ZINC000896200357 591382325 /nfs/dbraw/zinc/38/23/25/591382325.db2.gz CBFQSQZZZFAJNR-CZUORRHYSA-N 0 0 328.420 1.678 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)C[C@@H]1N1CCOCC1 ZINC000896731320 591595680 /nfs/dbraw/zinc/59/56/80/591595680.db2.gz XTQPFHMNOUUNQS-DOMZBBRYSA-N 0 0 346.406 1.885 10 0 EDAERN COc1nccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)n1 ZINC000818191016 593680267 /nfs/dbraw/zinc/68/02/67/593680267.db2.gz NRBJYYYMZGRTJK-KRWDZBQOSA-N 0 0 345.403 1.315 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2[nH]ccc2C2CC2)cn1 ZINC000818596999 593706603 /nfs/dbraw/zinc/70/66/03/593706603.db2.gz PWMUSEGGNSCEST-LSDHHAIUSA-N 0 0 330.388 1.685 10 0 EDAERN Cc1noc(COC2CN(C(=O)C[C@@H]3OC(=O)c4ccccc43)C2)n1 ZINC000818660546 593710866 /nfs/dbraw/zinc/71/08/66/593710866.db2.gz YIAYTPHENVDRLD-AWEZNQCLSA-N 0 0 343.339 1.407 10 0 EDAERN CCCCCCNC(=O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864079 595481399 /nfs/dbraw/zinc/48/13/99/595481399.db2.gz APINZRVQVVYTMN-CQSZACIVSA-N 0 0 337.468 1.753 10 0 EDAERN Cc1ncc(CN2CCN(CN3C(=O)CC(C)(C)C3=O)CC2)s1 ZINC000111164957 595706860 /nfs/dbraw/zinc/70/68/60/595706860.db2.gz IBXWQAOTKIQDSB-UHFFFAOYSA-N 0 0 336.461 1.312 10 0 EDAERN Cc1ncc(CN2CCN(Cn3nc4ccccn4c3=O)CC2)s1 ZINC000111164992 595707025 /nfs/dbraw/zinc/70/70/25/595707025.db2.gz NIHKEOGSDJSRRF-UHFFFAOYSA-N 0 0 344.444 1.036 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CN3CCSC3=S)CC2)n1 ZINC000112070698 596016573 /nfs/dbraw/zinc/01/65/73/596016573.db2.gz IRFQQDDGHLHNBN-LLVKDONJSA-N 0 0 341.506 1.602 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3c(=O)oc4ccc(C)cc43)CCO2)c1 ZINC000112071449 596016774 /nfs/dbraw/zinc/01/67/74/596016774.db2.gz WQAUHFHSBXAMKU-HNNXBMFYSA-N 0 0 342.399 1.766 10 0 EDAERN Cc1ccoc1CC(=O)N1CC[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864833310 596376309 /nfs/dbraw/zinc/37/63/09/596376309.db2.gz GNRIGZJISUXSTM-GFCCVEGCSA-N 0 0 330.388 1.708 10 0 EDAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3coc(C4CC4)n3)C2)cc(=O)[nH]1 ZINC000864837856 596379712 /nfs/dbraw/zinc/37/97/12/596379712.db2.gz PPTOVTZSJQPDAN-LLVKDONJSA-N 0 0 343.387 1.743 10 0 EDAERN C[C@@H]1CN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000869240097 596457557 /nfs/dbraw/zinc/45/75/57/596457557.db2.gz AVAALVKSMZXIQJ-BHAGLWOSSA-N 0 0 338.429 1.707 10 0 EDAERN CC(NC1C2CC3CC(C2)CC1C3)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000127342312 597713184 /nfs/dbraw/zinc/71/31/84/597713184.db2.gz YCACVVZVCHHKCX-UHFFFAOYSA-N 0 0 331.416 1.725 10 0 EDAERN C[C@H](NC(=O)NCc1ccccc1N1CCOCC1)[C@@H]1CCCO1 ZINC000129355350 597812218 /nfs/dbraw/zinc/81/22/18/597812218.db2.gz SBBKRKGSZCVIBO-YOEHRIQHSA-N 0 0 333.432 1.890 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)Cn2nnc3c(cnn3C)c2=O)C12CCCC2 ZINC000132685621 597880410 /nfs/dbraw/zinc/88/04/10/597880410.db2.gz VOBMFBIZGYIAKT-UONOGXRCSA-N 0 0 346.435 1.152 10 0 EDAERN CCn1c(=S)n(CN2C[C@@H](C)O[C@H](C)C2)nc1-c1cnccn1 ZINC000133680105 597989293 /nfs/dbraw/zinc/98/92/93/597989293.db2.gz ZJGVKLLUWQBNJH-VXGBXAGGSA-N 0 0 334.449 1.958 10 0 EDAERN C[C@@H](O)c1ccn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)n1 ZINC000133761015 598001386 /nfs/dbraw/zinc/00/13/86/598001386.db2.gz GOPLQUDGPDAIOH-LLVKDONJSA-N 0 0 328.372 1.467 10 0 EDAERN Cc1cc(=O)[nH]cc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000128864396 598097216 /nfs/dbraw/zinc/09/72/16/598097216.db2.gz BGWJUUJRALEJOI-KRWDZBQOSA-N 0 0 341.411 1.175 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000130640259 598123266 /nfs/dbraw/zinc/12/32/66/598123266.db2.gz LUJUIZMIGQGMQX-VWYCJHECSA-N 0 0 338.326 1.569 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000181818810 700068015 /nfs/dbraw/zinc/06/80/15/700068015.db2.gz KIDJNKPPQFLPSG-SECBINFHSA-N 0 0 326.347 1.950 10 0 EDAERN C[C@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@@H]1CCOC1 ZINC000175239077 697708735 /nfs/dbraw/zinc/70/87/35/697708735.db2.gz KQKJCQQSDBASBS-NWDGAFQWSA-N 0 0 329.356 1.553 10 0 EDAERN O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1cnc(Cl)c(Cl)c1 ZINC000081671747 698550092 /nfs/dbraw/zinc/55/00/92/698550092.db2.gz RFUJQXRPSOTSKQ-HTQZYQBOSA-N 0 0 325.217 1.970 10 0 EDAERN CC(=O)c1cccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c1 ZINC000050351374 214052980 /nfs/dbraw/zinc/05/29/80/214052980.db2.gz UJDPMAMMCHZMQI-UHFFFAOYSA-N 0 0 331.415 1.208 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)N[C@H](C)COC ZINC000050633115 214062339 /nfs/dbraw/zinc/06/23/39/214062339.db2.gz MRIUONKQNHKNTC-SSDOTTSWSA-N 0 0 338.227 1.199 10 0 EDAERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CC(C)C ZINC000050652188 214063827 /nfs/dbraw/zinc/06/38/27/214063827.db2.gz IJNSIJIMFOHCCM-UHFFFAOYSA-N 0 0 334.463 1.408 10 0 EDAERN C[C@@H](C1CC1)N(C)S(=O)(=O)c1cc(Br)cnc1N ZINC000050658221 214064423 /nfs/dbraw/zinc/06/44/23/214064423.db2.gz QAJMCFGGKZYTNA-ZETCQYMHSA-N 0 0 334.239 1.845 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)NCCNC(C)=O ZINC000050752733 214067971 /nfs/dbraw/zinc/06/79/71/214067971.db2.gz NABCXCKJFSZXBQ-UHFFFAOYSA-N 0 0 329.198 1.142 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N(C)C[C@H](O)COC ZINC000050790813 214070867 /nfs/dbraw/zinc/07/08/67/214070867.db2.gz HLIIPXLRIYZJLV-JTQLQIEISA-N 0 0 346.225 1.355 10 0 EDAERN C[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000051639731 214099791 /nfs/dbraw/zinc/09/97/91/214099791.db2.gz IYURCEABCFEHKI-MRVPVSSYSA-N 0 0 334.203 1.563 10 0 EDAERN C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCO1 ZINC000052430947 214128002 /nfs/dbraw/zinc/12/80/02/214128002.db2.gz KUPXVUFPMAGEKW-PRHODGIISA-N 0 0 332.809 1.285 10 0 EDAERN CCOC(=O)c1ccc2c(c1)ncc(C(=O)OCC)c2NCCO ZINC000053994777 214209914 /nfs/dbraw/zinc/20/99/14/214209914.db2.gz UZQNMCCVZTYTGM-UHFFFAOYSA-N 0 0 332.356 1.992 10 0 EDAERN Cc1nc(-c2ccccc2)oc1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000062631836 214725694 /nfs/dbraw/zinc/72/56/94/214725694.db2.gz HWGXUHIZBGCZHU-CYBMUJFWSA-N 0 0 334.397 1.496 10 0 EDAERN Cc1ccc([C@H]2CCCCN2C(=O)NCCN2C(=O)CNC2=O)o1 ZINC000173495251 230953528 /nfs/dbraw/zinc/95/35/28/230953528.db2.gz PYAHNKTWXFCUDZ-GFCCVEGCSA-N 0 0 334.376 1.376 10 0 EDAERN CCCC[C@@H](NC(N)=O)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000175802030 534925472 /nfs/dbraw/zinc/92/54/72/534925472.db2.gz KVJNXTVHNZUAON-LLVKDONJSA-N 0 0 337.424 1.745 10 0 EDAERN Cc1cc(N2CC[C@H](N3CCOCC3)C2)nc(-c2cccnc2)n1 ZINC000173976485 231086858 /nfs/dbraw/zinc/08/68/58/231086858.db2.gz GJDAAQWHULKMLJ-INIZCTEOSA-N 0 0 325.416 1.758 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000056084924 214357677 /nfs/dbraw/zinc/35/76/77/214357677.db2.gz IEADRZWIBHKERR-SNVBAGLBSA-N 0 0 343.318 1.756 10 0 EDAERN CCNC(=O)CN1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000056938588 214396214 /nfs/dbraw/zinc/39/62/14/214396214.db2.gz VFPVTJYRNWBZQK-UHFFFAOYSA-N 0 0 342.447 1.142 10 0 EDAERN CN(C)C(=O)c1ccc(N2CCC(Nc3cccnn3)CC2)nc1 ZINC000174731495 231292660 /nfs/dbraw/zinc/29/26/60/231292660.db2.gz ZSXDRNPGGUFKGT-UHFFFAOYSA-N 0 0 326.404 1.654 10 0 EDAERN CC[C@H]1CCCCN1C(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000049682996 214026749 /nfs/dbraw/zinc/02/67/49/214026749.db2.gz QNVFQORGXNFODY-UONOGXRCSA-N 0 0 339.461 1.956 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000058968860 214611660 /nfs/dbraw/zinc/61/16/60/214611660.db2.gz PVYHWBALGCMRLT-CQSZACIVSA-N 0 0 332.381 1.458 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3cccc(OC)c3)CCO2)[nH]1 ZINC000130044636 529701187 /nfs/dbraw/zinc/70/11/87/529701187.db2.gz IDPTVCGKDOWEDY-CQSZACIVSA-N 0 0 345.403 1.659 10 0 EDAERN CCc1nc(CC(=O)N[C@H]2CCCn3nc(COC)nc32)cs1 ZINC000155317124 529732766 /nfs/dbraw/zinc/73/27/66/529732766.db2.gz MOAXYPBYAMIEQU-NSHDSACASA-N 0 0 335.433 1.637 10 0 EDAERN O=C([C@@H]1COc2ccccc2O1)N1CCC(Cn2ccnc2)CC1 ZINC000062129639 214701288 /nfs/dbraw/zinc/70/12/88/214701288.db2.gz ZSYLPQYHQVCAIC-KRWDZBQOSA-N 0 0 327.384 1.962 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCc1ccncc1 ZINC000153109371 529749706 /nfs/dbraw/zinc/74/97/06/529749706.db2.gz DTGXDKGGEPDWIA-AWEZNQCLSA-N 0 0 328.420 1.955 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)[C@@H](C)CCSC)CC2 ZINC000153216026 529751304 /nfs/dbraw/zinc/75/13/04/529751304.db2.gz NGKLAWYWOXVRIL-NWDGAFQWSA-N 0 0 325.482 1.938 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000171706681 529783545 /nfs/dbraw/zinc/78/35/45/529783545.db2.gz NQYPCVUFCHDDQK-ZDUSSCGKSA-N 0 0 332.404 1.266 10 0 EDAERN CN(C)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1Cl ZINC000153887036 529784435 /nfs/dbraw/zinc/78/44/35/529784435.db2.gz HUXCKRHRDUCFRR-GFCCVEGCSA-N 0 0 326.828 1.858 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000171639027 529789328 /nfs/dbraw/zinc/78/93/28/529789328.db2.gz RHMOHESXAVRPLG-CYBMUJFWSA-N 0 0 347.337 1.715 10 0 EDAERN CNC(=O)Cn1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000174716853 529877829 /nfs/dbraw/zinc/87/78/29/529877829.db2.gz MYGXVCDGTIESLV-HUUCEWRRSA-N 0 0 341.415 1.890 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCn1ccc2ccccc21 ZINC000154792154 529923631 /nfs/dbraw/zinc/92/36/31/529923631.db2.gz XRWWICCOWQNQFG-MRXNPFEDSA-N 0 0 328.416 1.951 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)CCc1nnc[nH]1 ZINC000177248874 529944499 /nfs/dbraw/zinc/94/44/99/529944499.db2.gz VHJSBERXDVVSKZ-ZDUSSCGKSA-N 0 0 349.460 1.331 10 0 EDAERN Cc1ccc(N[C@H](C)C(=O)NC(N)=O)cc1I ZINC000048392501 213936873 /nfs/dbraw/zinc/93/68/73/213936873.db2.gz XISXWSQVCNGBTN-SSDOTTSWSA-N 0 0 347.156 1.595 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177654109 231949803 /nfs/dbraw/zinc/94/98/03/231949803.db2.gz FKUTUUBVEMFFBY-ZDUSSCGKSA-N 0 0 346.362 1.197 10 0 EDAERN CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000101564047 219137347 /nfs/dbraw/zinc/13/73/47/219137347.db2.gz QBPZGMCFSOEPFS-KBPBESRZSA-N 0 0 340.468 1.237 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N[C@@H]1CCCOCC1 ZINC000181627559 303981344 /nfs/dbraw/zinc/98/13/44/303981344.db2.gz RONWMWWUSCZCNY-OCCSQVGLSA-N 0 0 338.429 1.773 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000101580707 219142366 /nfs/dbraw/zinc/14/23/66/219142366.db2.gz LOQLJCGKAXVREL-LLVKDONJSA-N 0 0 345.852 1.804 10 0 EDAERN C[N@@H+]1CCC[C@@H]1CCOc1nc[n-]c(=O)c1I ZINC000165716655 530056827 /nfs/dbraw/zinc/05/68/27/530056827.db2.gz ZCCRKZOMJHCBKU-MRVPVSSYSA-N 0 0 349.172 1.238 10 0 EDAERN CC(=O)c1cc(Br)ccc1O[C@H](C)C(=O)NC(N)=O ZINC000047819340 213868703 /nfs/dbraw/zinc/86/87/03/213868703.db2.gz YPYDIXWLGLIDBT-SSDOTTSWSA-N 0 0 329.150 1.614 10 0 EDAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178476226 232186133 /nfs/dbraw/zinc/18/61/33/232186133.db2.gz FRIDTZYCIWNMQI-IFXJQAMLSA-N 0 0 344.411 1.714 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCc2c(C)noc2C)cn1 ZINC000685940121 539577438 /nfs/dbraw/zinc/57/74/38/539577438.db2.gz SFVJEFQFJXANPS-JKSUJKDBSA-N 0 0 348.403 1.403 10 0 EDAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000245975904 539596841 /nfs/dbraw/zinc/59/68/41/539596841.db2.gz XDXOSVIDFKXLII-LSDHHAIUSA-N 0 0 340.420 1.743 10 0 EDAERN COc1ccc([C@H](O)[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000043303836 213574414 /nfs/dbraw/zinc/57/44/14/213574414.db2.gz IUHMFRMOIQRJKU-SKDRFNHKSA-N 0 0 335.219 1.926 10 0 EDAERN Cn1c2ccccc2c(=O)n(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000002922880 209942548 /nfs/dbraw/zinc/94/25/48/209942548.db2.gz OMTQEUZXIBEJPQ-UHFFFAOYSA-N 0 0 345.305 1.617 10 0 EDAERN O=C(c1ccccc1F)N1CCN(S(=O)(=O)C2CCCC2)CC1 ZINC000041379183 213443352 /nfs/dbraw/zinc/44/33/52/213443352.db2.gz ZEOBKQLANKCBQI-UHFFFAOYSA-N 0 0 340.420 1.856 10 0 EDAERN O=S1(=O)CCC[C@H](N[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000069142675 215363560 /nfs/dbraw/zinc/36/35/60/215363560.db2.gz CRKCDDYMOABKJG-AAEUAGOBSA-N 0 0 329.443 1.072 10 0 EDAERN O=C(CCCc1ccc(F)cc1)N1CCO[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000040666271 213366857 /nfs/dbraw/zinc/36/68/57/213366857.db2.gz NIJDPCFOGCSINS-GJZGRUSLSA-N 0 0 341.404 1.173 10 0 EDAERN O=C(c1ccc(-n2cccc2)cc1)N1CCO[C@H]2CS(=O)(=O)C[C@H]21 ZINC000040666181 213366293 /nfs/dbraw/zinc/36/62/93/213366293.db2.gz JZMDCBZGFIAECT-CVEARBPZSA-N 0 0 346.408 1.115 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000180311936 233828766 /nfs/dbraw/zinc/82/87/66/233828766.db2.gz OCSOEGICBJXANL-CQSZACIVSA-N 0 0 327.388 1.660 10 0 EDAERN O=C(Nc1ccc(Cl)cc1)N1CCO[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000040624744 213360957 /nfs/dbraw/zinc/36/09/57/213360957.db2.gz BKEVRAATUSIFEO-NWDGAFQWSA-N 0 0 330.793 1.370 10 0 EDAERN O=C(Nc1cccc(Cl)c1)N1CCO[C@H]2CS(=O)(=O)C[C@H]21 ZINC000040624758 213360890 /nfs/dbraw/zinc/36/08/90/213360890.db2.gz MYJPFAWCKKVOOJ-NEPJUHHUSA-N 0 0 330.793 1.370 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1Cc2ccccc21 ZINC000153224329 539858447 /nfs/dbraw/zinc/85/84/47/539858447.db2.gz BZVYIPJHFMELQL-DZGCQCFKSA-N 0 0 341.415 1.899 10 0 EDAERN O=S(=O)(CCc1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180975895 234049379 /nfs/dbraw/zinc/04/93/79/234049379.db2.gz WJGXBSGPSATYKR-INIZCTEOSA-N 0 0 334.445 1.563 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1)[C@@H]1CCCO1 ZINC000180991479 234053963 /nfs/dbraw/zinc/05/39/63/234053963.db2.gz FJQSHTGXJQLLJH-DOMZBBRYSA-N 0 0 340.383 1.766 10 0 EDAERN c1cc(CN2CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)no1 ZINC000181387565 234170877 /nfs/dbraw/zinc/17/08/77/234170877.db2.gz ABOVNCJFEUZOCX-UHFFFAOYSA-N 0 0 328.420 1.796 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000127834075 222887599 /nfs/dbraw/zinc/88/75/99/222887599.db2.gz KKKODZMAIXIFBN-HNNXBMFYSA-N 0 0 342.399 1.798 10 0 EDAERN CN1CCN(S(=O)(=O)c2ccc(NNc3ccccc3)nc2)CC1 ZINC000039771371 213242844 /nfs/dbraw/zinc/24/28/44/213242844.db2.gz SXPLMTWCLBBKPK-UHFFFAOYSA-N 0 0 347.444 1.457 10 0 EDAERN COC(=O)Cn1c(=O)oc(=O)c2cc(C)cc(Br)c21 ZINC000039289026 213232823 /nfs/dbraw/zinc/23/28/23/213232823.db2.gz JSGUPYLABIEEDP-UHFFFAOYSA-N 0 0 328.118 1.199 10 0 EDAERN Cc1cccc(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000038510382 213212496 /nfs/dbraw/zinc/21/24/96/213212496.db2.gz FOLMWDUGGUDJCL-UHFFFAOYSA-N 0 0 336.399 1.324 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)c2ccccc2Cl)c(=O)n(C)c1 ZINC000038491971 213211024 /nfs/dbraw/zinc/21/10/24/213211024.db2.gz JGPFUZOEEWEZKU-UHFFFAOYSA-N 0 0 333.775 1.993 10 0 EDAERN Cc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1O ZINC000174988290 540096898 /nfs/dbraw/zinc/09/68/98/540096898.db2.gz AWVMCRABSNLNCZ-CJNGLKHVSA-N 0 0 342.399 1.982 10 0 EDAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179453838 540118045 /nfs/dbraw/zinc/11/80/45/540118045.db2.gz XDXOSVIDFKXLII-HUUCEWRRSA-N 0 0 340.420 1.743 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)CC2 ZINC000181730277 540127439 /nfs/dbraw/zinc/12/74/39/540127439.db2.gz DIVLBGZMZRJGOP-CHWSQXEVSA-N 0 0 342.465 1.205 10 0 EDAERN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000186105374 540150599 /nfs/dbraw/zinc/15/05/99/540150599.db2.gz AHQYAKUZSOASFL-JSGCOSHPSA-N 0 0 349.435 1.389 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2=O)n(C)n1 ZINC000190538241 540170771 /nfs/dbraw/zinc/17/07/71/540170771.db2.gz PZDMFPVGUBDFMF-CYBMUJFWSA-N 0 0 342.403 1.254 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000193309212 540182652 /nfs/dbraw/zinc/18/26/52/540182652.db2.gz JAIOBRYQJRYLGV-ASTDHERZSA-N 0 0 334.391 1.512 10 0 EDAERN C[C@](O)(CNC(=O)N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000184211309 235333743 /nfs/dbraw/zinc/33/37/43/235333743.db2.gz OEQPYGKYGODJGI-BBRMVZONSA-N 0 0 349.822 1.973 10 0 EDAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cnc(Cl)s1 ZINC000038103995 213202352 /nfs/dbraw/zinc/20/23/52/213202352.db2.gz GOZPVZCKHSRCPQ-UHFFFAOYSA-N 0 0 325.843 1.332 10 0 EDAERN COc1ccc([C@H](NC[C@@H]2CCCO2)C(N)=O)cc1Br ZINC000038052264 213198654 /nfs/dbraw/zinc/19/86/54/213198654.db2.gz LSSBMROMZYPFJB-GWCFXTLKSA-N 0 0 343.221 1.753 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)NCc3ccco3)C2)c1 ZINC000105859927 219564465 /nfs/dbraw/zinc/56/44/65/219564465.db2.gz FWDAFLNRIJAHEQ-AWEZNQCLSA-N 0 0 345.403 1.447 10 0 EDAERN O=S(=O)(NCc1cc(F)ccc1Br)c1cn[nH]c1 ZINC000038039536 213195700 /nfs/dbraw/zinc/19/57/00/213195700.db2.gz DZNRIPXLOJSQOQ-UHFFFAOYSA-N 0 0 334.170 1.790 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000077868940 138255839 /nfs/dbraw/zinc/25/58/39/138255839.db2.gz QKTZHGHVLFVBHB-SKDRFNHKSA-N 0 0 328.315 1.910 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccccc1N(C)C ZINC000083755083 138269540 /nfs/dbraw/zinc/26/95/40/138269540.db2.gz SNHRMIBKEXGKLX-CYBMUJFWSA-N 0 0 342.403 1.242 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000087250509 138271583 /nfs/dbraw/zinc/27/15/83/138271583.db2.gz UODJMGJHXJEIEO-NEPJUHHUSA-N 0 0 348.451 1.374 10 0 EDAERN CCCCN(CCO)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000079016131 138259801 /nfs/dbraw/zinc/25/98/01/138259801.db2.gz HPQLTWTYUOCTSU-AWEZNQCLSA-N 0 0 340.445 1.709 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000087563252 138271919 /nfs/dbraw/zinc/27/19/19/138271919.db2.gz ZIZFESJMHZRGDF-CYBMUJFWSA-N 0 0 348.451 1.185 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000091782062 138285027 /nfs/dbraw/zinc/28/50/27/138285027.db2.gz QEDRJFXTEKJHHB-CYBMUJFWSA-N 0 0 349.387 1.204 10 0 EDAERN CCCN1c2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3C)cc2CCC1=O ZINC000091219147 138283017 /nfs/dbraw/zinc/28/30/17/138283017.db2.gz BWOZCWQZAZYKCW-FZMZJTMJSA-N 0 0 329.400 1.839 10 0 EDAERN NC(=O)[C@H]1COCCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000092229370 138287043 /nfs/dbraw/zinc/28/70/43/138287043.db2.gz AQOZHRHDTNJMNW-LLVKDONJSA-N 0 0 346.214 1.508 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1 ZINC000117812931 138312457 /nfs/dbraw/zinc/31/24/57/138312457.db2.gz OLGPBSCKARSQKY-CYBMUJFWSA-N 0 0 348.353 1.639 10 0 EDAERN Cc1nn(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(C)c1Cl ZINC000118674153 138312743 /nfs/dbraw/zinc/31/27/43/138312743.db2.gz LFALAUXKODDIEE-CYBMUJFWSA-N 0 0 348.838 1.729 10 0 EDAERN CCCN(CCC)C(=O)CCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648368 138309513 /nfs/dbraw/zinc/30/95/13/138309513.db2.gz QCKFMHRCAXJLQR-CQSZACIVSA-N 0 0 335.452 1.528 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)cn1 ZINC000116311166 138311702 /nfs/dbraw/zinc/31/17/02/138311702.db2.gz GUFBIDCWSKYFPY-CYBMUJFWSA-N 0 0 342.399 1.619 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCCC(=O)NC(C)C)C2)n1 ZINC000116776663 138312092 /nfs/dbraw/zinc/31/20/92/138312092.db2.gz KYZUBFIZHVRWQF-MRXNPFEDSA-N 0 0 349.479 1.828 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)n1 ZINC000116775824 138312094 /nfs/dbraw/zinc/31/20/94/138312094.db2.gz BCXIVFLGAIMURK-OAHLLOKOSA-N 0 0 333.436 1.146 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cc3c(CC)noc3CC)CCO2)[nH]1 ZINC000121315515 138317400 /nfs/dbraw/zinc/31/74/00/138317400.db2.gz ANHNFPDBGLFZCK-AWEZNQCLSA-N 0 0 347.419 1.623 10 0 EDAERN Cc1cnc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)s1 ZINC000123958800 138322703 /nfs/dbraw/zinc/32/27/03/138322703.db2.gz WONOSOLJFGSLIF-GFCCVEGCSA-N 0 0 333.417 1.586 10 0 EDAERN Cn1nccc1C1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000124336972 138326062 /nfs/dbraw/zinc/32/60/62/138326062.db2.gz RIILKNUHAQCRLW-HNNXBMFYSA-N 0 0 344.459 1.917 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCCNC(=O)c1cccnc1 ZINC000126200875 138337731 /nfs/dbraw/zinc/33/77/31/138337731.db2.gz CXQFCHOGFYTREU-CQSZACIVSA-N 0 0 342.403 1.143 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC000186055018 235816716 /nfs/dbraw/zinc/81/67/16/235816716.db2.gz OUKBFWKHARKNEM-UHFFFAOYSA-N 0 0 339.403 1.600 10 0 EDAERN COc1ccccc1N1CC[C@@H](N2CCC[C@H](NC(C)=O)C2)C1=O ZINC000132979819 138386499 /nfs/dbraw/zinc/38/64/99/138386499.db2.gz RNSAILLZTNDFQG-GOEBONIOSA-N 0 0 331.416 1.401 10 0 EDAERN O=C(CN1C(=O)c2cccnc2C1=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000069870437 215611987 /nfs/dbraw/zinc/61/19/87/215611987.db2.gz SLWAWAYHGWEYRP-CQSZACIVSA-N 0 0 339.326 1.620 10 0 EDAERN OCCOc1cncc(N2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000133035142 138387563 /nfs/dbraw/zinc/38/75/63/138387563.db2.gz RRXFVFWCEARAOP-HOTGVXAUSA-N 0 0 329.400 1.940 10 0 EDAERN CC(C)n1cc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)cn1 ZINC000151142042 138449403 /nfs/dbraw/zinc/44/94/03/138449403.db2.gz VXSUADBYLDMYSD-AWEZNQCLSA-N 0 0 336.417 1.701 10 0 EDAERN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128957650 223005358 /nfs/dbraw/zinc/00/53/58/223005358.db2.gz WJORYBKAUXYKSV-WDEREUQCSA-N 0 0 343.305 1.264 10 0 EDAERN CC(C)N(CCCO)S(=O)(=O)CCSc1ccc(N)cc1 ZINC000070214526 215683168 /nfs/dbraw/zinc/68/31/68/215683168.db2.gz APZHLHQBPVTDSI-UHFFFAOYSA-N 0 0 332.491 1.784 10 0 EDAERN CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Cc2cccs2)CC1 ZINC000036256708 213080625 /nfs/dbraw/zinc/08/06/25/213080625.db2.gz YPJVZPKJQZDVMI-QGZVFWFLSA-N 0 0 349.500 1.740 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N(C)[C@H]1CCSC1 ZINC000070431432 215690032 /nfs/dbraw/zinc/69/00/32/215690032.db2.gz KKHOHGJCURWJCW-NSHDSACASA-N 0 0 330.500 1.755 10 0 EDAERN Cc1ccccc1O[C@H](C)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187324271 236178654 /nfs/dbraw/zinc/17/86/54/236178654.db2.gz ZIHOSBUZMALOGX-CYBMUJFWSA-N 0 0 331.416 1.682 10 0 EDAERN CC(=O)[C@@H](NC(=O)COc1cncc(Br)c1)C(C)C ZINC000070487105 215699194 /nfs/dbraw/zinc/69/91/94/215699194.db2.gz YDMJXGXDMPPBQL-ZDUSSCGKSA-N 0 0 329.194 1.953 10 0 EDAERN COc1ccc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cn1 ZINC000036078087 213060183 /nfs/dbraw/zinc/06/01/83/213060183.db2.gz VOIYRHBSQFRHJH-UHFFFAOYSA-N 0 0 331.294 1.830 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)Cn1cccn1 ZINC000156322368 138556137 /nfs/dbraw/zinc/55/61/37/138556137.db2.gz BLOZFWXLLNSZFA-QWHCGFSZSA-N 0 0 347.423 1.091 10 0 EDAERN O=C(NC1CN(C(=O)N[C@H]2CCCOc3cc(F)ccc32)C1)C1CC1 ZINC000187770057 236295887 /nfs/dbraw/zinc/29/58/87/236295887.db2.gz JNPVNOIQWQBBOJ-HNNXBMFYSA-N 0 0 347.390 1.959 10 0 EDAERN COCCN1CCN(C(=O)NCc2cc(F)ccc2OC)C[C@@H]1C ZINC000187909711 236336977 /nfs/dbraw/zinc/33/69/77/236336977.db2.gz LWAMWLXUJZAPLP-ZDUSSCGKSA-N 0 0 339.411 1.696 10 0 EDAERN CCc1ccc([C@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 ZINC000035741590 213047013 /nfs/dbraw/zinc/04/70/13/213047013.db2.gz GQDWVJAMOCQUNH-DHSIGJKJSA-N 0 0 330.384 1.906 10 0 EDAERN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCOCC1 ZINC000035511171 213034927 /nfs/dbraw/zinc/03/49/27/213034927.db2.gz UGNPBDVXLRCVML-UHFFFAOYSA-N 0 0 349.412 1.943 10 0 EDAERN C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)C(=O)[O-] ZINC000035387607 213024479 /nfs/dbraw/zinc/02/44/79/213024479.db2.gz QYTUHYOKEGBXPQ-SECBINFHSA-N 0 0 329.194 1.470 10 0 EDAERN COc1cc(C=O)cc(Br)c1OCC(=O)NC1CC1 ZINC000035219906 213014498 /nfs/dbraw/zinc/01/44/98/213014498.db2.gz YLLZTFKELDNJDD-UHFFFAOYSA-N 0 0 328.162 1.928 10 0 EDAERN CCOC(=O)CCN(CCOc1ccc(OC)cc1)C(=O)COC ZINC000071635034 215791186 /nfs/dbraw/zinc/79/11/86/215791186.db2.gz WBJZZHJWTFUPAA-UHFFFAOYSA-N 0 0 339.388 1.502 10 0 EDAERN C[C@@H]1Oc2ccc(C(=O)Cn3c(=O)oc4cccnc43)cc2NC1=O ZINC000071527417 215784794 /nfs/dbraw/zinc/78/47/94/215784794.db2.gz UFTHZCYICKDDGG-VIFPVBQESA-N 0 0 339.307 1.592 10 0 EDAERN Cn1cncc1CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000177056005 138720815 /nfs/dbraw/zinc/72/08/15/138720815.db2.gz XIAUXDZKQYYQMF-UHFFFAOYSA-N 0 0 336.443 1.924 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000180172917 138757103 /nfs/dbraw/zinc/75/71/03/138757103.db2.gz CVCUAUKGERLDLZ-ZDUSSCGKSA-N 0 0 349.387 1.199 10 0 EDAERN CCOC(=O)[C@@H]1[C@H]2CC[C@H](O)[C@H]2CN1C(=O)OCc1ccccc1 ZINC000071973242 215985184 /nfs/dbraw/zinc/98/51/84/215985184.db2.gz QAWXMUWTWFMRRF-VGWMRTNUSA-N 0 0 333.384 1.958 10 0 EDAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CCO1 ZINC000181918813 138772672 /nfs/dbraw/zinc/77/26/72/138772672.db2.gz NZSBEJVTAZGBHV-RCBQFDQVSA-N 0 0 332.400 1.812 10 0 EDAERN O=C(CCn1nc2ccccn2c1=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072277910 216104703 /nfs/dbraw/zinc/10/47/03/216104703.db2.gz FJXCJWHSAZGKOF-ZDUSSCGKSA-N 0 0 340.387 1.015 10 0 EDAERN Cc1onc(-c2ccccn2)c1C(=O)NC[C@H](C)N1CCOCC1 ZINC000129389748 223050735 /nfs/dbraw/zinc/05/07/35/223050735.db2.gz DIMNGWWGDPTPAS-LBPRGKRZSA-N 0 0 330.388 1.496 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)C[C@@H](O)CCc1ccccc1 ZINC000184785626 138798037 /nfs/dbraw/zinc/79/80/37/138798037.db2.gz IDZFCUCNRDHIRW-AWEZNQCLSA-N 0 0 338.433 1.163 10 0 EDAERN CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1ccn(C)n1)CC2 ZINC000072418496 216206110 /nfs/dbraw/zinc/20/61/10/216206110.db2.gz URUHVTKBRSGJID-AWEZNQCLSA-N 0 0 334.420 1.211 10 0 EDAERN COCCn1cnc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000072449979 216238661 /nfs/dbraw/zinc/23/86/61/216238661.db2.gz MDFBMVGBQIEGRS-UHFFFAOYSA-N 0 0 340.318 1.287 10 0 EDAERN CCOc1ncccc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190145558 238248734 /nfs/dbraw/zinc/24/87/34/238248734.db2.gz OVAOFJAKCMFRKF-AWEZNQCLSA-N 0 0 343.387 1.896 10 0 EDAERN Cc1ccc(NC(=O)c2cc3c(nc2C)n(C)c(=O)n(C)c3=O)cc1 ZINC000072451975 216239693 /nfs/dbraw/zinc/23/96/93/216239693.db2.gz VMBBDZDLMDWPGQ-UHFFFAOYSA-N 0 0 338.367 1.501 10 0 EDAERN Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)nnc2ncnn21 ZINC000072452853 216239887 /nfs/dbraw/zinc/23/98/87/216239887.db2.gz UFEKVYSGCGMFPP-UHFFFAOYSA-N 0 0 336.399 1.923 10 0 EDAERN O=C(COc1ccc(F)cc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000072678894 216291222 /nfs/dbraw/zinc/29/12/22/216291222.db2.gz RQURNNZSRQLWQA-UHFFFAOYSA-N 0 0 329.287 1.785 10 0 EDAERN Cn1nccc1C1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000131915360 223283207 /nfs/dbraw/zinc/28/32/07/223283207.db2.gz LQLGSDPAQIWIOT-UHFFFAOYSA-N 0 0 344.390 1.695 10 0 EDAERN CC(C)(CCO)CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000073557467 216395561 /nfs/dbraw/zinc/39/55/61/216395561.db2.gz GSIFYQUCGOSQBK-ZDUSSCGKSA-N 0 0 340.445 1.613 10 0 EDAERN COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3C)n2)cc1 ZINC000188668132 138848382 /nfs/dbraw/zinc/84/83/82/138848382.db2.gz RPVQLDKPVCDDOY-FZMZJTMJSA-N 0 0 328.372 1.403 10 0 EDAERN O=C(NCCCN1C(=O)CNC1=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109125433 219948964 /nfs/dbraw/zinc/94/89/64/219948964.db2.gz ULMZPCIBTLYRGV-GHMZBOCLSA-N 0 0 337.326 1.126 10 0 EDAERN C[C@@H](CC(=O)Nc1ccc(N2CCOCC2)nc1)N1CCCCC1=O ZINC000188948170 138856450 /nfs/dbraw/zinc/85/64/50/138856450.db2.gz RRJXKILGHWTAKK-AWEZNQCLSA-N 0 0 346.431 1.648 10 0 EDAERN CCOc1cc(CNn2cnnc2)ccc1OCC(=O)NC(C)(C)C ZINC000020879822 212181726 /nfs/dbraw/zinc/18/17/26/212181726.db2.gz PIADLAFRPRRWBY-UHFFFAOYSA-N 0 0 347.419 1.714 10 0 EDAERN CC(=O)NC1CN(C(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000191491596 138915746 /nfs/dbraw/zinc/91/57/46/138915746.db2.gz DFIDJRLLSLLXMX-UHFFFAOYSA-N 0 0 336.189 1.891 10 0 EDAERN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)cc1 ZINC000020371015 212123838 /nfs/dbraw/zinc/12/38/38/212123838.db2.gz LQEZHQAILFWNBS-SNVBAGLBSA-N 0 0 345.384 1.488 10 0 EDAERN COc1ccc(O[C@H]2COCCN(C(=O)N3CCOCC3)C2)cc1 ZINC000077266016 216860897 /nfs/dbraw/zinc/86/08/97/216860897.db2.gz NEHSSVRDSZLPFT-MRXNPFEDSA-N 0 0 336.388 1.227 10 0 EDAERN C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000019999052 212093431 /nfs/dbraw/zinc/09/34/31/212093431.db2.gz JUJRBNHABUCAFK-UHFFFAOYSA-N 0 0 334.463 1.241 10 0 EDAERN CC[C@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000019766904 212062942 /nfs/dbraw/zinc/06/29/42/212062942.db2.gz ALMLFKVJFFKHTN-SMDDNHRTSA-N 0 0 346.383 1.987 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Cl)cn2)cn1 ZINC000193191997 138963396 /nfs/dbraw/zinc/96/33/96/138963396.db2.gz WCUVWXHRNIUGFZ-LBPRGKRZSA-N 0 0 333.779 1.771 10 0 EDAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1N(C)C ZINC000077938275 217002693 /nfs/dbraw/zinc/00/26/93/217002693.db2.gz ISWWJMBRDFWMKW-BBRMVZONSA-N 0 0 333.432 1.667 10 0 EDAERN Cc1ccn(CC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c(=O)c1 ZINC000194833242 139000995 /nfs/dbraw/zinc/00/09/95/139000995.db2.gz UIXSDVBAHVQWBA-ZDUSSCGKSA-N 0 0 329.404 1.003 10 0 EDAERN NS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000195155891 139008064 /nfs/dbraw/zinc/00/80/64/139008064.db2.gz FTNIBZHJGJOGSM-HNNXBMFYSA-N 0 0 346.408 1.729 10 0 EDAERN Cc1ccc(N[C@@H](C)C(=O)NC(N)=O)cc1I ZINC000048392499 213937687 /nfs/dbraw/zinc/93/76/87/213937687.db2.gz XISXWSQVCNGBTN-ZETCQYMHSA-N 0 0 347.156 1.595 10 0 EDAERN CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1cccc(C(N)=S)c1 ZINC000048916371 213970658 /nfs/dbraw/zinc/97/06/58/213970658.db2.gz BVNQLPQUYLKWLP-PWSUYJOCSA-N 0 0 328.459 1.509 10 0 EDAERN Cc1c(C)c(S(N)(=O)=O)ccc1OCCOCC(F)(F)F ZINC000049311450 214000181 /nfs/dbraw/zinc/00/01/81/214000181.db2.gz WIRLQHBLNVCMAG-UHFFFAOYSA-N 0 0 327.324 1.909 10 0 EDAERN Cc1nc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)cs1 ZINC000049341826 214001286 /nfs/dbraw/zinc/00/12/86/214001286.db2.gz ABYVLKAJVOYSBA-UHFFFAOYSA-N 0 0 331.444 1.133 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cc(Br)ccc2O)C1 ZINC000224386569 139021344 /nfs/dbraw/zinc/02/13/44/139021344.db2.gz IPSKQMZAQUYSAY-SNVBAGLBSA-N 0 0 329.194 1.215 10 0 EDAERN O=C(c1cc(F)cc2nccnc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080937 220097943 /nfs/dbraw/zinc/09/79/43/220097943.db2.gz JLTRDUVMWMDFJZ-ZDUSSCGKSA-N 0 0 341.346 1.507 10 0 EDAERN O=C(CCn1cnc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080094 220096574 /nfs/dbraw/zinc/09/65/74/220096574.db2.gz ZTESKGNPJBEJKX-HNNXBMFYSA-N 0 0 339.399 1.551 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111077104 220096644 /nfs/dbraw/zinc/09/66/44/220096644.db2.gz OZOWWRRUHCIOMJ-AWEZNQCLSA-N 0 0 346.362 1.522 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1F ZINC000111077110 220097179 /nfs/dbraw/zinc/09/71/79/220097179.db2.gz TTZAEQVMWUBWKD-AWEZNQCLSA-N 0 0 346.362 1.522 10 0 EDAERN CCn1cc(C2CCN(CC(=O)NCc3cccnc3)CC2)cn1 ZINC000111212202 220110329 /nfs/dbraw/zinc/11/03/29/220110329.db2.gz HUIRDJKMXSYSBV-UHFFFAOYSA-N 0 0 327.432 1.794 10 0 EDAERN O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 ZINC000096065361 284375184 /nfs/dbraw/zinc/37/51/84/284375184.db2.gz UCRGZSJNYWBNFK-KFWWJZLASA-N 0 0 325.372 1.637 10 0 EDAERN COc1ncccc1CNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111814913 220195536 /nfs/dbraw/zinc/19/55/36/220195536.db2.gz XTRNBIBWZYXTGB-LBPRGKRZSA-N 0 0 334.401 1.830 10 0 EDAERN COCc1cccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111816003 220196138 /nfs/dbraw/zinc/19/61/38/220196138.db2.gz GYLQYDNMLBDTQH-KRWDZBQOSA-N 0 0 344.415 1.640 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000081450347 217399982 /nfs/dbraw/zinc/39/99/82/217399982.db2.gz QWTUCINYKUKUQY-GFCCVEGCSA-N 0 0 345.399 1.585 10 0 EDAERN C[C@@H]1CN(C2CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)CCO1 ZINC000245198210 139070956 /nfs/dbraw/zinc/07/09/56/139070956.db2.gz FYBCCBDHZNGGTK-GDBMZVCRSA-N 0 0 346.493 1.070 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c(OC)c1 ZINC000112065515 220237638 /nfs/dbraw/zinc/23/76/38/220237638.db2.gz PNSYVIPSINVIRJ-OAHLLOKOSA-N 0 0 345.399 1.750 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3nccs3)CC2)n1 ZINC000112103785 220243351 /nfs/dbraw/zinc/24/33/51/220243351.db2.gz REQIEADQEUYPQD-SNVBAGLBSA-N 0 0 336.421 1.999 10 0 EDAERN COc1ncnc(N(C)C)c1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000151303941 223806095 /nfs/dbraw/zinc/80/60/95/223806095.db2.gz YKDVXVVLKHKXGH-LBPRGKRZSA-N 0 0 345.407 1.654 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@](C)(O)c1ccccc1 ZINC000083749636 217555485 /nfs/dbraw/zinc/55/54/85/217555485.db2.gz YAXIVHYQMCQFPK-WMLDXEAASA-N 0 0 329.404 1.628 10 0 EDAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000246268598 139101781 /nfs/dbraw/zinc/10/17/81/139101781.db2.gz AZOVDVVHYITYDW-HEHGZKQESA-N 0 0 329.404 1.401 10 0 EDAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(F)cc2F)C1 ZINC000084674279 217630703 /nfs/dbraw/zinc/63/07/03/217630703.db2.gz PVRYHUWLAYHJHO-SNVBAGLBSA-N 0 0 333.356 1.847 10 0 EDAERN Cc1cccc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C ZINC000246403164 139107172 /nfs/dbraw/zinc/10/71/72/139107172.db2.gz JNPLBJIWRCZFFA-QAPCUYQASA-N 0 0 331.460 1.894 10 0 EDAERN CN1Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3CO)cc2C1 ZINC000246484031 139110282 /nfs/dbraw/zinc/11/02/82/139110282.db2.gz QTOKTAFGHNCNFE-XJKSGUPXSA-N 0 0 331.416 1.238 10 0 EDAERN C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]3CN(C)CCO3)cc2)CCO1 ZINC000246645860 139116276 /nfs/dbraw/zinc/11/62/76/139116276.db2.gz CRAOZKLDLMPWNZ-PBHICJAKSA-N 0 0 348.447 1.364 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)Cc2cnn(C)c2)c2cccs2)CCO1 ZINC000246758569 139120412 /nfs/dbraw/zinc/12/04/12/139120412.db2.gz IDEPDQBKCGJTNX-UKRRQHHQSA-N 0 0 348.472 1.602 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000246815723 139122781 /nfs/dbraw/zinc/12/27/81/139122781.db2.gz DJCOEPSHERXUKG-QXSJWSMHSA-N 0 0 325.453 1.305 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccc(C)c(F)c3)CCO2)[nH]1 ZINC000246982665 139129561 /nfs/dbraw/zinc/12/95/61/139129561.db2.gz MRSUCFYSDOLJFF-IAQYHMDHSA-N 0 0 347.394 1.961 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000247059802 139133635 /nfs/dbraw/zinc/13/36/35/139133635.db2.gz XJJGDKRHCDMQSA-DOTOQJQBSA-N 0 0 335.423 1.730 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCc2nccc(N)n2)[C@@H]1c1ccc(F)cc1 ZINC000089506361 217806112 /nfs/dbraw/zinc/80/61/12/217806112.db2.gz IUEGWUBMNVXLGB-WBMJQRKESA-N 0 0 343.362 1.034 10 0 EDAERN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247108480 139135867 /nfs/dbraw/zinc/13/58/67/139135867.db2.gz ITXQODMJGBPUFW-AAEUAGOBSA-N 0 0 327.375 1.554 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)c2ccnn2C)c2cccs2)CCO1 ZINC000247129632 139136868 /nfs/dbraw/zinc/13/68/68/139136868.db2.gz XOQVSAHBNVNNNR-GXTWGEPZSA-N 0 0 334.445 1.673 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C[C@@H]1C ZINC000247151511 139137730 /nfs/dbraw/zinc/13/77/30/139137730.db2.gz QAZOZGHAJJYUMH-ZDUSSCGKSA-N 0 0 346.880 1.990 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)NC3CCC(C)CC3)CCO2)[nH]1 ZINC000247201923 139140240 /nfs/dbraw/zinc/14/02/40/139140240.db2.gz UMAARSSVWFGWHM-NREAYKGKSA-N 0 0 335.452 1.570 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1C ZINC000247438386 139148612 /nfs/dbraw/zinc/14/86/12/139148612.db2.gz ZMXBTKMVYRMVAA-IAGOWNOFSA-N 0 0 327.513 1.922 10 0 EDAERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000248394725 139161575 /nfs/dbraw/zinc/16/15/75/139161575.db2.gz NNCSRNAFMGEUBC-WMZOPIPTSA-N 0 0 346.475 1.627 10 0 EDAERN CCCCOC(=O)[C@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000012127276 211300588 /nfs/dbraw/zinc/30/05/88/211300588.db2.gz BRHPJHWNEZZZDI-VIFPVBQESA-N 0 0 337.401 1.770 10 0 EDAERN Cc1nc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)no1 ZINC000248665567 139170912 /nfs/dbraw/zinc/17/09/12/139170912.db2.gz WFLAVMTZZJCTDW-SRVKXCTJSA-N 0 0 336.392 1.753 10 0 EDAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091785557 218066146 /nfs/dbraw/zinc/06/61/46/218066146.db2.gz XITLMYUYVIXSTI-UKRRQHHQSA-N 0 0 334.416 1.598 10 0 EDAERN COc1ccc(CCCCCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091783165 218066209 /nfs/dbraw/zinc/06/62/09/218066209.db2.gz CNORHMMDCUJULX-MRXNPFEDSA-N 0 0 334.416 1.511 10 0 EDAERN Cc1cc(C)c(NC(=O)CN2CCOC[C@H]2C(N)=O)c(Cl)c1 ZINC000092228561 218127569 /nfs/dbraw/zinc/12/75/69/218127569.db2.gz YQVRUYSGFLTYKN-LBPRGKRZSA-N 0 0 325.796 1.081 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)N2CCN(CCOC)C(=O)C2)cc1 ZINC000093285227 218211593 /nfs/dbraw/zinc/21/15/93/218211593.db2.gz NGERHWDZGVHREO-CQSZACIVSA-N 0 0 333.432 1.810 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000249129840 139186942 /nfs/dbraw/zinc/18/69/42/139186942.db2.gz USDMNNHFENSGJH-RBSFLKMASA-N 0 0 344.411 1.642 10 0 EDAERN OC[C@@H]1CN(c2cc(N3CCOCC3)ncn2)C[C@H]1c1ccsc1 ZINC000249316315 139191190 /nfs/dbraw/zinc/19/11/90/139191190.db2.gz PQBQCWFSEKYEHS-GJZGRUSLSA-N 0 0 346.456 1.587 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CCc2ccccn2)C1 ZINC000408518323 250299202 /nfs/dbraw/zinc/29/92/02/250299202.db2.gz AFZGJYSYINZODZ-SQWLQELKSA-N 0 0 348.443 1.859 10 0 EDAERN O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NCCN1CCc2ccccc21 ZINC000249714399 139197353 /nfs/dbraw/zinc/19/73/53/139197353.db2.gz HFTQUBYNRKFGCI-RBUKOAKNSA-N 0 0 343.471 1.809 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)nn2)C1 ZINC000095083152 218274757 /nfs/dbraw/zinc/27/47/57/218274757.db2.gz KWPYGWLNBAENFN-VIFPVBQESA-N 0 0 347.824 1.913 10 0 EDAERN CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 ZINC000009206628 211052813 /nfs/dbraw/zinc/05/28/13/211052813.db2.gz IAPLIZFBFBGODF-SNVBAGLBSA-N 0 0 343.474 1.986 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2cnccn2)C1 ZINC000095085512 218276837 /nfs/dbraw/zinc/27/68/37/218276837.db2.gz QNOMMHUERNZXQZ-LBPRGKRZSA-N 0 0 341.433 1.897 10 0 EDAERN O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(F)c(F)c1 ZINC000095596067 218443790 /nfs/dbraw/zinc/44/37/90/218443790.db2.gz SMLGETXPMSMWPZ-UHFFFAOYSA-N 0 0 328.702 1.621 10 0 EDAERN O=C(NCc1ccccn1)[C@H]1CCC[C@@H]1C(=O)NCc1ccccn1 ZINC000152972362 224039121 /nfs/dbraw/zinc/03/91/21/224039121.db2.gz INQIBAITOJSCHO-IRXDYDNUSA-N 0 0 338.411 1.826 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(-c2nc[nH]n2)c1 ZINC000152995722 224041935 /nfs/dbraw/zinc/04/19/35/224041935.db2.gz ZXOLSNFRJICEMY-OAHLLOKOSA-N 0 0 349.398 1.661 10 0 EDAERN COC1(CNC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCC1 ZINC000181804074 532997279 /nfs/dbraw/zinc/99/72/79/532997279.db2.gz GDEJVRSZYITRDP-KRWDZBQOSA-N 0 0 347.459 1.616 10 0 EDAERN CC(C)n1nnnc1CN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112360180 220312918 /nfs/dbraw/zinc/31/29/18/220312918.db2.gz XQLLITCLCIOARE-AWEZNQCLSA-N 0 0 332.383 1.630 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000153414876 224100932 /nfs/dbraw/zinc/10/09/32/224100932.db2.gz GGHNANCDANUCHI-AWEZNQCLSA-N 0 0 331.351 1.528 10 0 EDAERN C[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1nnc2n1CCCC2 ZINC000153495314 224112471 /nfs/dbraw/zinc/11/24/71/224112471.db2.gz AODSBFOEAUKQAC-ZANVPECISA-N 0 0 347.341 1.384 10 0 EDAERN COc1ccncc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171398531 533085036 /nfs/dbraw/zinc/08/50/36/533085036.db2.gz QSUBHLUYDCPZTA-ZDUSSCGKSA-N 0 0 329.360 1.126 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648774 220363157 /nfs/dbraw/zinc/36/31/57/220363157.db2.gz OXRKVGKTBAJEJT-NEPJUHHUSA-N 0 0 335.408 1.109 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)Nc3cnn(C)c3)CC2)cn1 ZINC000112734127 220390274 /nfs/dbraw/zinc/39/02/74/220390274.db2.gz LGXPPTNSHCLTCS-UHFFFAOYSA-N 0 0 331.424 1.376 10 0 EDAERN O=C(NCc1ccnc(N2CCCC2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112741971 220392847 /nfs/dbraw/zinc/39/28/47/220392847.db2.gz SUNAJWLCDHXCGQ-CQSZACIVSA-N 0 0 341.419 1.088 10 0 EDAERN CCN(CCNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1C ZINC000112743592 220394481 /nfs/dbraw/zinc/39/44/81/220394481.db2.gz GFJWTMIATSZZHC-HNNXBMFYSA-N 0 0 342.447 1.727 10 0 EDAERN C[C@@H](CC1CC1)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000112752061 220397801 /nfs/dbraw/zinc/39/78/01/220397801.db2.gz XAGXDUZCCHNUTF-HNNXBMFYSA-N 0 0 336.480 1.515 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc2cnccc21 ZINC000113298205 220517105 /nfs/dbraw/zinc/51/71/05/220517105.db2.gz WIEVACZDBBAYSC-LBPRGKRZSA-N 0 0 329.385 1.120 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1c(C)nn(C)c1C)CC2 ZINC000114866046 220770252 /nfs/dbraw/zinc/77/02/52/220770252.db2.gz ULPFBECXUCUYRW-ZDUSSCGKSA-N 0 0 330.436 1.255 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-c3ncon3)cc1)CC2 ZINC000114873230 220771770 /nfs/dbraw/zinc/77/17/70/220771770.db2.gz LJJAAVWAJCPQPB-ZDUSSCGKSA-N 0 0 338.371 1.635 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116369622 220955395 /nfs/dbraw/zinc/95/53/95/220955395.db2.gz XMDRNRPQJCDCIX-JTQLQIEISA-N 0 0 343.840 1.294 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)C[C@H]1C ZINC000117369525 221058764 /nfs/dbraw/zinc/05/87/64/221058764.db2.gz KFSPCEAOQJNFBX-LLVKDONJSA-N 0 0 334.388 1.306 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(C)cc2F)C[C@H]1C ZINC000117369573 221059194 /nfs/dbraw/zinc/05/91/94/221059194.db2.gz BFFJJUSBPROYNV-CYBMUJFWSA-N 0 0 330.425 1.475 10 0 EDAERN CCOCCN1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@@H]1C ZINC000117281383 221041671 /nfs/dbraw/zinc/04/16/71/221041671.db2.gz KJMRBDFLKKMPCV-ZDUSSCGKSA-N 0 0 344.415 1.106 10 0 EDAERN COCCN1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C[C@H]1C ZINC000117289314 221046127 /nfs/dbraw/zinc/04/61/27/221046127.db2.gz YKKJCGUIVKOKLY-OAHLLOKOSA-N 0 0 343.431 1.368 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117295935 221048135 /nfs/dbraw/zinc/04/81/35/221048135.db2.gz AUMAVUXIVZSNMG-AWEZNQCLSA-N 0 0 343.427 1.292 10 0 EDAERN CC[C@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)CCN1CCOC ZINC000117300556 221048588 /nfs/dbraw/zinc/04/85/88/221048588.db2.gz XTZFXAVUCGCOJR-HNNXBMFYSA-N 0 0 348.509 1.017 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCN1CCOC ZINC000117309771 221050492 /nfs/dbraw/zinc/05/04/92/221050492.db2.gz YMEHCVWVMCOBFU-KRWDZBQOSA-N 0 0 346.475 1.865 10 0 EDAERN COCCN1CCN(C(=O)NCCc2ccc(OC)cc2)C[C@@H]1C ZINC000117468789 221067085 /nfs/dbraw/zinc/06/70/85/221067085.db2.gz BKBXJLLOVTZWKL-HNNXBMFYSA-N 0 0 335.448 1.600 10 0 EDAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCn1cc(C)cn1 ZINC000117809132 221091648 /nfs/dbraw/zinc/09/16/48/221091648.db2.gz DRORKXRRVIRZAB-QGZVFWFLSA-N 0 0 326.400 1.281 10 0 EDAERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCn2cc(C)cn2)c1 ZINC000117817752 221092716 /nfs/dbraw/zinc/09/27/16/221092716.db2.gz OIRXDNZLFPZAQW-UHFFFAOYSA-N 0 0 343.387 1.538 10 0 EDAERN Cc1cnn(CCNC(=O)C2CCN(C(=O)OCC(C)C)CC2)c1 ZINC000117817482 221092996 /nfs/dbraw/zinc/09/29/96/221092996.db2.gz CZASPXDYHPEISP-UHFFFAOYSA-N 0 0 336.436 1.812 10 0 EDAERN O=S(=O)(Cc1cccc2cccnc21)N[C@@H]1CCc2ncnn2C1 ZINC000117923134 221100421 /nfs/dbraw/zinc/10/04/21/221100421.db2.gz RISIXPKIJCLFAE-CQSZACIVSA-N 0 0 343.412 1.261 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2OCC(C)C)c1 ZINC000118133355 221127997 /nfs/dbraw/zinc/12/79/97/221127997.db2.gz NITONGSQYXQJPH-UHFFFAOYSA-N 0 0 344.415 1.981 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000118133574 221128689 /nfs/dbraw/zinc/12/86/89/221128689.db2.gz AXHPZRYIPFTFIT-UHFFFAOYSA-N 0 0 326.278 1.364 10 0 EDAERN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115831 221122176 /nfs/dbraw/zinc/12/21/76/221122176.db2.gz FVBDXHQPVVDIRY-LLVKDONJSA-N 0 0 325.796 1.034 10 0 EDAERN O=C(CSCc1ccncc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118671528 221167695 /nfs/dbraw/zinc/16/76/95/221167695.db2.gz UHYPBUSPQAASLK-OAHLLOKOSA-N 0 0 343.456 1.890 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(OCC(F)F)nc2)C[C@H]1C ZINC000118992020 221219740 /nfs/dbraw/zinc/21/97/40/221219740.db2.gz UJQNOHMBCYAWBB-GFCCVEGCSA-N 0 0 343.374 1.518 10 0 EDAERN CCc1ncc(NC(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000119203356 221264614 /nfs/dbraw/zinc/26/46/14/221264614.db2.gz ILTHFEBELJQADB-UHFFFAOYSA-N 0 0 327.392 1.937 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000119252909 221278089 /nfs/dbraw/zinc/27/80/89/221278089.db2.gz LWJGWUFLLKDTJY-LBPRGKRZSA-N 0 0 331.351 1.049 10 0 EDAERN C[C@H]1CC[C@H](C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)O1 ZINC000119216019 221268846 /nfs/dbraw/zinc/26/88/46/221268846.db2.gz KQYXXYFORSMHBD-WMLDXEAASA-N 0 0 348.418 1.997 10 0 EDAERN CC1(CNS(=O)(=O)c2cc(Br)cnc2N)CCC1 ZINC000119260782 221279052 /nfs/dbraw/zinc/27/90/52/221279052.db2.gz ZUTRTBNURWHYGY-UHFFFAOYSA-N 0 0 334.239 1.895 10 0 EDAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000120243520 221524076 /nfs/dbraw/zinc/52/40/76/221524076.db2.gz KRJYUXDUGXWTOV-XFNZEKPQSA-N 0 0 345.490 1.773 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn2ccc(C)nc12 ZINC000155072048 224353115 /nfs/dbraw/zinc/35/31/15/224353115.db2.gz SVRZQEQZYQFNBS-GFCCVEGCSA-N 0 0 341.375 1.041 10 0 EDAERN Cc1cccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cnc(C)cn2)n1 ZINC000253601165 257657675 /nfs/dbraw/zinc/65/76/75/257657675.db2.gz KXIRLJVSXURIOO-MSOLQXFVSA-N 0 0 337.427 1.977 10 0 EDAERN COc1ncccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177978277 533266171 /nfs/dbraw/zinc/26/61/71/533266171.db2.gz QJUIKKUOKOECMS-CYBMUJFWSA-N 0 0 343.387 1.225 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCSC(C)(C)C1 ZINC000152968545 533283708 /nfs/dbraw/zinc/28/37/08/533283708.db2.gz MJLXOIIVOYAHGB-NSHDSACASA-N 0 0 339.465 1.796 10 0 EDAERN COCCCOc1ccc(C(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000175606852 533292584 /nfs/dbraw/zinc/29/25/84/533292584.db2.gz JGKDFNVEFMAQRI-INIZCTEOSA-N 0 0 334.416 1.843 10 0 EDAERN COCc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000181815227 533297737 /nfs/dbraw/zinc/29/77/37/533297737.db2.gz XFBZYXZPRCZDKG-GDBMZVCRSA-N 0 0 346.431 1.628 10 0 EDAERN CS(=O)(=O)c1ccc(CNC(=O)c2nnc(Cl)s2)cc1 ZINC000157250389 533443499 /nfs/dbraw/zinc/44/34/99/533443499.db2.gz DBHOBXXTVFQGJO-UHFFFAOYSA-N 0 0 331.806 1.525 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1cccc(-n2ccnc2)c1 ZINC000173968171 533489785 /nfs/dbraw/zinc/48/97/85/533489785.db2.gz PJHIXJLCHUCSJR-GFCCVEGCSA-N 0 0 331.401 1.645 10 0 EDAERN COc1cccc(N2C[C@@H](CNC(=O)c3ccccc3)OCC2=O)c1 ZINC000041418488 132410122 /nfs/dbraw/zinc/41/01/22/132410122.db2.gz SQQSCLAYAZDEPK-QGZVFWFLSA-N 0 0 340.379 1.857 10 0 EDAERN O=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)CO1)c1cccnc1 ZINC000041418243 132410586 /nfs/dbraw/zinc/41/05/86/132410586.db2.gz BTHVPEOHLCRSBI-HNNXBMFYSA-N 0 0 345.786 1.897 10 0 EDAERN CN1c2ccccc2O[C@@H](CNC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000049739472 132431777 /nfs/dbraw/zinc/43/17/77/132431777.db2.gz AXTQOLKJJMWYGB-INIZCTEOSA-N 0 0 340.335 1.569 10 0 EDAERN CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)NC(C)(C)C)cc21 ZINC000071447692 132814350 /nfs/dbraw/zinc/81/43/50/132814350.db2.gz GSICRRRJEVTLCP-SNVBAGLBSA-N 0 0 326.418 1.897 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2N2C(=O)N[C@@H]([C@@H]3CCCOC3)C2=O)cn1 ZINC000330059251 140798997 /nfs/dbraw/zinc/79/89/97/140798997.db2.gz KQGXUJSJKAUXKP-UQOMUDLDSA-N 0 0 348.403 1.284 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]12CCOC2 ZINC000333029014 141252633 /nfs/dbraw/zinc/25/26/33/141252633.db2.gz BUKLITACSLWHOP-LPHOPBHVSA-N 0 0 346.427 1.459 10 0 EDAERN Cn1ccnc1CC1CCN(c2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000333357659 141304885 /nfs/dbraw/zinc/30/48/85/141304885.db2.gz WXNQJRGQEAZERQ-UHFFFAOYSA-N 0 0 327.392 1.262 10 0 EDAERN CN1C(=O)NCC12CCN(C(=O)[C@H]1CC(=O)Nc3ccccc31)CC2 ZINC000333425081 141315931 /nfs/dbraw/zinc/31/59/31/141315931.db2.gz JVPDVOBBUGGMEA-ZDUSSCGKSA-N 0 0 342.399 1.129 10 0 EDAERN Cc1ccc(N2CCC(NC(=O)NCc3cccnn3)CC2)nc1 ZINC000333440733 141317364 /nfs/dbraw/zinc/31/73/64/141317364.db2.gz JQARJPOAJVTFPO-UHFFFAOYSA-N 0 0 326.404 1.648 10 0 EDAERN CN(C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2)[C@H]1CCOC1 ZINC000333497837 141327131 /nfs/dbraw/zinc/32/71/31/141327131.db2.gz VLIZISDFBJALPL-HNNXBMFYSA-N 0 0 332.404 1.833 10 0 EDAERN COc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)c(O)c1 ZINC000105867947 286274310 /nfs/dbraw/zinc/27/43/10/286274310.db2.gz RJZGRBDRZHHCGV-UHFFFAOYSA-N 0 0 328.372 1.543 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[S@](C)=O)C12CCOCC2 ZINC000185936913 286364075 /nfs/dbraw/zinc/36/40/75/286364075.db2.gz SBRBFXBTQRVAOX-ICKCXYDZSA-N 0 0 332.466 1.027 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C12CCOCC2 ZINC000187045645 286534619 /nfs/dbraw/zinc/53/46/19/286534619.db2.gz ATULQSOFUCKNFW-KBPBESRZSA-N 0 0 349.431 1.101 10 0 EDAERN O=C([C@H]1CCCN1c1nccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000172769002 304432902 /nfs/dbraw/zinc/43/29/02/304432902.db2.gz PGMXZNGPYLKDFZ-UONOGXRCSA-N 0 0 336.461 1.045 10 0 EDAERN CCC1CCC(NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000073757867 287264299 /nfs/dbraw/zinc/26/42/99/287264299.db2.gz GBDDIRLZPSZYLB-UHFFFAOYSA-N 0 0 339.461 1.835 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCC(C)(C)C[C@H](C)O)C1 ZINC000074547253 287271565 /nfs/dbraw/zinc/27/15/65/287271565.db2.gz FDJADXZDYWNWPJ-KBPBESRZSA-N 0 0 327.469 1.874 10 0 EDAERN O=C(Nc1ccccc1-n1cccn1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000078990255 287296775 /nfs/dbraw/zinc/29/67/75/287296775.db2.gz MPTVRJXBRBOHSB-ZIAGYGMSSA-N 0 0 342.399 1.478 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000158477717 225022231 /nfs/dbraw/zinc/02/22/31/225022231.db2.gz WFNQXUNFGWSIKC-ZWNOBZJWSA-N 0 0 342.342 1.894 10 0 EDAERN COCCn1c(-c2c(F)cccc2Cl)nnc1S(N)(=O)=O ZINC000158276295 224982323 /nfs/dbraw/zinc/98/23/23/224982323.db2.gz MPMJDXGBIBYZCP-UHFFFAOYSA-N 0 0 334.760 1.031 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159342610 225198624 /nfs/dbraw/zinc/19/86/24/225198624.db2.gz VUFZSTRAXAVQDO-NSHDSACASA-N 0 0 339.421 1.300 10 0 EDAERN NS(=O)(=O)c1cnn(CCOc2ccc(Br)cc2)c1 ZINC000159391886 225209321 /nfs/dbraw/zinc/20/93/21/225209321.db2.gz ROWPRDQYNGNALV-UHFFFAOYSA-N 0 0 346.206 1.372 10 0 EDAERN Cc1cc(C)c(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c(Br)c1 ZINC000159818406 225282980 /nfs/dbraw/zinc/28/29/80/225282980.db2.gz FMIJVYUWMPJMQZ-MNOVXSKESA-N 0 0 334.235 1.636 10 0 EDAERN C[C@@H]1C[C@@H]1CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000159868346 225293751 /nfs/dbraw/zinc/29/37/51/225293751.db2.gz RTKKGDUCHJVKOW-VXNVDRBHSA-N 0 0 347.234 1.482 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@H](CC)COC)CC2)n1 ZINC000163249645 225945580 /nfs/dbraw/zinc/94/55/80/225945580.db2.gz VMYFPQMZSGESGV-QWHCGFSZSA-N 0 0 339.440 1.445 10 0 EDAERN C[C@@H]([NH3+])[C@@H]1CCCCN1c1nc[n-]c(=O)c1I ZINC000164300200 226062536 /nfs/dbraw/zinc/06/25/36/226062536.db2.gz PLNAMWUQKSCUMJ-SFYZADRCSA-N 0 0 348.188 1.081 10 0 EDAERN COCCn1ncc(Br)c1C(=O)c1ccc(N)cn1 ZINC000164630192 226088521 /nfs/dbraw/zinc/08/85/21/226088521.db2.gz APYNMOSZPXUYOD-UHFFFAOYSA-N 0 0 325.166 1.500 10 0 EDAERN CCc1nn(CC)c(Cn2cnc(CNC)n2)c1Br ZINC000167484255 226192404 /nfs/dbraw/zinc/19/24/04/226192404.db2.gz XBZPLVKBGKXKRZ-UHFFFAOYSA-N 0 0 327.230 1.587 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)N[C@@H]2CCCOC2)c1 ZINC000165100424 226109961 /nfs/dbraw/zinc/10/99/61/226109961.db2.gz RGGKPULTJJXBIR-SSDOTTSWSA-N 0 0 336.772 1.035 10 0 EDAERN C[NH+](C)C(C)(C)CNc1nc[n-]c(=O)c1I ZINC000165236317 226115649 /nfs/dbraw/zinc/11/56/49/226115649.db2.gz OZVYAJPHJYHAGJ-UHFFFAOYSA-N 0 0 336.177 1.127 10 0 EDAERN Cc1c(N)cnc(Sc2nc(N)cc(N)n2)c1Br ZINC000165703168 226133013 /nfs/dbraw/zinc/13/30/13/226133013.db2.gz NNFMEBGFHUAXBG-UHFFFAOYSA-N 0 0 327.211 1.840 10 0 EDAERN C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2cc(C(N)=S)ccc2Cl)C1 ZINC000167762177 226198598 /nfs/dbraw/zinc/19/85/98/226198598.db2.gz NXDLIGYJGFZSCF-WCBMZHEXSA-N 0 0 348.877 1.366 10 0 EDAERN O=C(c1cc(Br)cnc1Cl)N1CCO[C@@H](CO)C1 ZINC000167910331 226203685 /nfs/dbraw/zinc/20/36/85/226203685.db2.gz ZTKYFJLDTJKHOK-MRVPVSSYSA-N 0 0 335.585 1.331 10 0 EDAERN Nc1c2ccc(Cl)cc2sc1C(=O)N1CCO[C@H](CO)C1 ZINC000168292109 226212045 /nfs/dbraw/zinc/21/20/45/226212045.db2.gz SZWJZMJZMHPYLC-VIFPVBQESA-N 0 0 326.805 1.970 10 0 EDAERN Nc1ccc(-c2nnnn2C2CCS(=O)(=O)CC2)cc1Cl ZINC000168683389 226221151 /nfs/dbraw/zinc/22/11/51/226221151.db2.gz WMCFPFHTRYHQFR-UHFFFAOYSA-N 0 0 327.797 1.325 10 0 EDAERN Cc1c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cnn1-c1ccccn1 ZINC000170565535 226628639 /nfs/dbraw/zinc/62/86/39/226628639.db2.gz WNDYWYIMZBOBQB-UHFFFAOYSA-N 0 0 347.334 1.712 10 0 EDAERN CCOCCO[C@H](C)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122120385 222018495 /nfs/dbraw/zinc/01/84/95/222018495.db2.gz SLGBIMQSMZTANQ-CABCVRRESA-N 0 0 336.436 1.345 10 0 EDAERN CC(C)(CO)CCCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000122721931 222144567 /nfs/dbraw/zinc/14/45/67/222144567.db2.gz OXSXDUSRZOTASA-UHFFFAOYSA-N 0 0 335.452 1.861 10 0 EDAERN Cn1cccc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000122718087 222144936 /nfs/dbraw/zinc/14/49/36/222144936.db2.gz QSBKWWZMXWSCLT-GOSISDBHSA-N 0 0 329.444 1.583 10 0 EDAERN CN(C(=O)NCCCC(C)(C)CO)[C@H]1CCCN(c2cccnn2)C1 ZINC000122741538 222148845 /nfs/dbraw/zinc/14/88/45/222148845.db2.gz PGILGBYDKLTROC-HNNXBMFYSA-N 0 0 349.479 1.886 10 0 EDAERN C[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000123228709 222239678 /nfs/dbraw/zinc/23/96/78/222239678.db2.gz QRAKMPWAJJYVPT-DOMZBBRYSA-N 0 0 341.839 1.393 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)cn1 ZINC000171567328 227142882 /nfs/dbraw/zinc/14/28/82/227142882.db2.gz VIOSYMQUEIPPEL-UHFFFAOYSA-N 0 0 342.447 1.852 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCCCCN(C)C(=O)[C@@H]2CC[C@H](C)O2)O1 ZINC000129603822 287477930 /nfs/dbraw/zinc/47/79/30/287477930.db2.gz PTQZXVCDXWNURG-BARDWOONSA-N 0 0 326.437 1.476 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CCO2)c1 ZINC000171834656 227307561 /nfs/dbraw/zinc/30/75/61/227307561.db2.gz VZQOGWMMGNMPLF-HNNXBMFYSA-N 0 0 335.429 1.590 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O ZINC000193365082 272991745 /nfs/dbraw/zinc/99/17/45/272991745.db2.gz UCNUEJCHEBCHJJ-ABAIWWIYSA-N 0 0 326.418 1.693 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC000027904400 267380551 /nfs/dbraw/zinc/38/05/51/267380551.db2.gz MDRKXYUKZIHOBL-INIZCTEOSA-N 0 0 330.428 1.862 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCOC2(C1)CCCCCC2)C(C)C ZINC000178413622 267560594 /nfs/dbraw/zinc/56/05/94/267560594.db2.gz HTRZCKQSPPRZEH-CQSZACIVSA-N 0 0 325.453 1.892 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000178846807 267592824 /nfs/dbraw/zinc/59/28/24/267592824.db2.gz WHIIBCJATDSKFJ-OAHLLOKOSA-N 0 0 332.404 1.066 10 0 EDAERN COc1cccc(CNC(=O)CSCc2nnnn2C(C)C)c1 ZINC000040753674 272909565 /nfs/dbraw/zinc/90/95/65/272909565.db2.gz FXGHDZUFSXLSNG-UHFFFAOYSA-N 0 0 335.433 1.812 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)c2ccnc(S(N)(=O)=O)c2)cc1 ZINC000186746695 272946806 /nfs/dbraw/zinc/94/68/06/272946806.db2.gz SINDLFCVTBPZAL-NSHDSACASA-N 0 0 333.413 1.782 10 0 EDAERN O=S(=O)(NCC1CC(O)C1)c1ccc(Br)c(F)c1 ZINC000232293255 287704196 /nfs/dbraw/zinc/70/41/96/287704196.db2.gz VAPKJELVTOQPMQ-UHFFFAOYSA-N 0 0 338.198 1.637 10 0 EDAERN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCO[C@H](Cn2cccn2)C1 ZINC000255028683 287827567 /nfs/dbraw/zinc/82/75/67/287827567.db2.gz WMIFMFSTMUPZIW-QTLSWZBMSA-N 0 0 341.367 1.553 10 0 EDAERN CC1(C)CN(c2cncc(-n3cccn3)n2)C[C@]2(CCCOC2)O1 ZINC000330070014 276136358 /nfs/dbraw/zinc/13/63/58/276136358.db2.gz HSJZPXHNGSXSLH-KRWDZBQOSA-N 0 0 329.404 1.827 10 0 EDAERN CSc1nc(C(=O)N2CC[C@H](N3CCOCC3)C2)c2ccccn21 ZINC000172753077 278178968 /nfs/dbraw/zinc/17/89/68/278178968.db2.gz ATESCNNWVCRRJE-ZDUSSCGKSA-N 0 0 346.456 1.603 10 0 EDAERN Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCn4ncnc43)CC2=O)cc1 ZINC000177585339 278824143 /nfs/dbraw/zinc/82/41/43/278824143.db2.gz VNMFVSUCDFTIKB-DZGCQCFKSA-N 0 0 339.399 1.591 10 0 EDAERN Cc1nc(C)n([C@@H]2CCCN(c3ncnc4c3CN(C)CC4)C2)n1 ZINC000373973488 279080731 /nfs/dbraw/zinc/08/07/31/279080731.db2.gz QIEQITXZNPKWTG-CQSZACIVSA-N 0 0 327.436 1.514 10 0 EDAERN CCOC(=O)CN(CCc1ccccc1)Cc1nnnn1C(C)C ZINC000111323089 279553306 /nfs/dbraw/zinc/55/33/06/279553306.db2.gz QIWGZCGVTAOCPA-UHFFFAOYSA-N 0 0 331.420 1.862 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H](C)O1 ZINC000152066749 279785395 /nfs/dbraw/zinc/78/53/95/279785395.db2.gz GISGIUJBHAWQTG-IUCAKERBSA-N 0 0 342.193 1.418 10 0 EDAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329324298 280393630 /nfs/dbraw/zinc/39/36/30/280393630.db2.gz VLNTYBSIFNTLOP-RKVPGOIHSA-N 0 0 338.448 1.023 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000176284475 281360420 /nfs/dbraw/zinc/36/04/20/281360420.db2.gz VDQUHRSCFXKRGR-ZLOXQWCVSA-N 0 0 332.429 1.979 10 0 EDAERN C[C@H](c1ccccc1)[C@](C)(O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189226722 290259357 /nfs/dbraw/zinc/25/93/57/290259357.db2.gz TYEYVWATWRQPLW-YJYMSZOUSA-N 0 0 330.428 1.668 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000081587048 293507857 /nfs/dbraw/zinc/50/78/57/293507857.db2.gz UNYBUJFVNSNCFO-KBXCAEBGSA-N 0 0 340.383 1.709 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1csc(-c2cnccn2)n1 ZINC000081586356 293525541 /nfs/dbraw/zinc/52/55/41/293525541.db2.gz UGYSAQDAUSFSER-SNVBAGLBSA-N 0 0 341.400 1.765 10 0 EDAERN Cc1ccccc1[C@H]1CCCN1C(=O)C1CCN(CC(N)=O)CC1 ZINC000091858863 302216107 /nfs/dbraw/zinc/21/61/07/302216107.db2.gz VBJCONRXLAXDSS-QGZVFWFLSA-N 0 0 329.444 1.856 10 0 EDAERN Cc1nnc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000079016159 302818799 /nfs/dbraw/zinc/81/87/99/302818799.db2.gz XGBGEGVTZZTZPI-JTQLQIEISA-N 0 0 338.414 1.887 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)o1 ZINC000070757311 441119095 /nfs/dbraw/zinc/11/90/95/441119095.db2.gz MXNKISPEBPBPDQ-GFCCVEGCSA-N 0 0 339.355 1.985 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000046068731 441078330 /nfs/dbraw/zinc/07/83/30/441078330.db2.gz BQWMUMOZSVMTHZ-KRWDZBQOSA-N 0 0 334.460 1.549 10 0 EDAERN Cc1ccccc1OCCN(C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000046263888 441096663 /nfs/dbraw/zinc/09/66/63/441096663.db2.gz LDNYAZOIJCYECQ-MRXNPFEDSA-N 0 0 335.448 1.736 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN(C[C@H](O)c2ccc[nH]2)CC1 ZINC000012809067 441143004 /nfs/dbraw/zinc/14/30/04/441143004.db2.gz AAVKCCYIROATMM-INIZCTEOSA-N 0 0 335.429 1.055 10 0 EDAERN NC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1 ZINC000013558650 441161354 /nfs/dbraw/zinc/16/13/54/441161354.db2.gz HLZRAGFYWJMULH-INIZCTEOSA-N 0 0 339.395 1.367 10 0 EDAERN COC(CNS(=O)(=O)c1cscc1Br)OC ZINC000015041931 441193911 /nfs/dbraw/zinc/19/39/11/441193911.db2.gz PZPJOCZMMUOPPO-UHFFFAOYSA-N 0 0 330.225 1.408 10 0 EDAERN CN(CCCOc1ccc(F)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104798221 441211342 /nfs/dbraw/zinc/21/13/42/441211342.db2.gz CYGNMUNFLUXPTJ-MRXNPFEDSA-N 0 0 339.411 1.567 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000105537555 441259165 /nfs/dbraw/zinc/25/91/65/441259165.db2.gz YDGDJLQGVPASQE-IONNQARKSA-N 0 0 349.284 1.824 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)NCc1cccs1 ZINC000105798304 441271986 /nfs/dbraw/zinc/27/19/86/441271986.db2.gz ICODLKBZJKEQAQ-UHFFFAOYSA-N 0 0 331.445 1.367 10 0 EDAERN O=C(Cc1ccc2c(c1)OCO2)N1CCCN(c2cccnn2)CC1 ZINC000105811316 441276800 /nfs/dbraw/zinc/27/68/00/441276800.db2.gz PEIVTYKBYVIMIH-UHFFFAOYSA-N 0 0 340.383 1.487 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3cc(CC)n[nH]3)CC2)n1 ZINC000105819980 441279441 /nfs/dbraw/zinc/27/94/41/441279441.db2.gz UEIPEUUPKRLZFR-UHFFFAOYSA-N 0 0 330.392 1.123 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2cccc(OC)c2)C[C@@H]1C ZINC000105834619 441288001 /nfs/dbraw/zinc/28/80/01/441288001.db2.gz OJVAXYQDIOYOCW-HNNXBMFYSA-N 0 0 335.448 1.676 10 0 EDAERN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081584573 441293689 /nfs/dbraw/zinc/29/36/89/441293689.db2.gz DOMLSEJBAPQLRK-NWDGAFQWSA-N 0 0 337.449 1.239 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cn(-c3ccccc3)nc2C)CC1 ZINC000106396968 441338602 /nfs/dbraw/zinc/33/86/02/441338602.db2.gz WXKPMIOPPOMMMV-QGZVFWFLSA-N 0 0 342.443 1.709 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(CC(C)(C)O)CC1)C(C)C ZINC000106398848 441339125 /nfs/dbraw/zinc/33/91/25/441339125.db2.gz FTAASCCMRBVAMT-MRXNPFEDSA-N 0 0 341.496 1.088 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000106403314 441341881 /nfs/dbraw/zinc/34/18/81/441341881.db2.gz XSEFWWPQFLGVSO-HNNXBMFYSA-N 0 0 328.416 1.605 10 0 EDAERN CC(C)CNC(=O)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874474 441302668 /nfs/dbraw/zinc/30/26/68/441302668.db2.gz QIQZFYKKTCBOCP-OAHLLOKOSA-N 0 0 339.505 1.825 10 0 EDAERN Cc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c(O)c1 ZINC000105875124 441303867 /nfs/dbraw/zinc/30/38/67/441303867.db2.gz XDAKJCAOGAGFFY-UHFFFAOYSA-N 0 0 328.416 1.782 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)NCCC(C)(C)C)CCO2)n1 ZINC000105893851 441311194 /nfs/dbraw/zinc/31/11/94/441311194.db2.gz LHHKJHVIWNMMAB-INIZCTEOSA-N 0 0 336.480 1.753 10 0 EDAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@H](n3cncn3)C2)c1 ZINC000105904242 441314983 /nfs/dbraw/zinc/31/49/83/441314983.db2.gz NHCYMPANIHANOF-IRXDYDNUSA-N 0 0 344.415 1.558 10 0 EDAERN CCCCOC(=O)CN1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000105919245 441316569 /nfs/dbraw/zinc/31/65/69/441316569.db2.gz IRGDDJPLUFTLRJ-UHFFFAOYSA-N 0 0 346.435 1.137 10 0 EDAERN CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000083605146 441365361 /nfs/dbraw/zinc/36/53/61/441365361.db2.gz SBNWNBNTWGEOFL-CYBMUJFWSA-N 0 0 342.461 1.838 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCC(=O)Nc1ccccc1 ZINC000083723591 441371246 /nfs/dbraw/zinc/37/12/46/441371246.db2.gz PFRZYUFEQQTYNT-CQSZACIVSA-N 0 0 342.403 1.749 10 0 EDAERN C[C@@H](NC(=O)NCc1ccnn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000026395905 441375822 /nfs/dbraw/zinc/37/58/22/441375822.db2.gz MJKIWBCJYNXILM-LLVKDONJSA-N 0 0 336.417 1.384 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(F)c1C ZINC000083755087 441375852 /nfs/dbraw/zinc/37/58/52/441375852.db2.gz DYCRULADWSVQHM-ZDUSSCGKSA-N 0 0 331.351 1.624 10 0 EDAERN COCCc1nnc([C@@H]2CCCN(C(=O)c3ccc(OC)nc3)C2)[nH]1 ZINC000065287012 441415330 /nfs/dbraw/zinc/41/53/30/441415330.db2.gz CIIGAIKBVALFQQ-CYBMUJFWSA-N 0 0 345.403 1.417 10 0 EDAERN CCCOc1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cn1 ZINC000107731476 441428033 /nfs/dbraw/zinc/42/80/33/441428033.db2.gz TVXZHMBGWWBJFH-AWEZNQCLSA-N 0 0 336.436 1.390 10 0 EDAERN COCCCn1c(C)cc(C(=O)CN2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000085772162 441449687 /nfs/dbraw/zinc/44/96/87/441449687.db2.gz NZYVEKDKESFWRE-QGZVFWFLSA-N 0 0 349.475 1.877 10 0 EDAERN CCC1CCC(NC(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000108773883 441473667 /nfs/dbraw/zinc/47/36/67/441473667.db2.gz CHXFLBZOYBFOGZ-UHFFFAOYSA-N 0 0 333.432 1.799 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCCn1ccnc1C ZINC000087123418 441481269 /nfs/dbraw/zinc/48/12/69/441481269.db2.gz NXLDQMHWLNIARD-CQSZACIVSA-N 0 0 345.451 1.960 10 0 EDAERN O=S(=O)(c1ccc(N[C@@H]2CCc3ncnn3C2)cc1)C(F)F ZINC000108947957 441482618 /nfs/dbraw/zinc/48/26/18/441482618.db2.gz XNUIKHNTKWPXLO-SNVBAGLBSA-N 0 0 328.344 1.701 10 0 EDAERN COc1ccc(Cn2cc(C(=O)NC[C@H]3CN(C)CCO3)cn2)cc1 ZINC000109264635 441493339 /nfs/dbraw/zinc/49/33/39/441493339.db2.gz IUMHRUVHDLLODW-KRWDZBQOSA-N 0 0 344.415 1.000 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1nccn1C(F)F ZINC000031151577 441514430 /nfs/dbraw/zinc/51/44/30/441514430.db2.gz VRCRIKOBOHMGAX-SECBINFHSA-N 0 0 326.303 1.648 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc43)CCO2)c1 ZINC000112135298 441544911 /nfs/dbraw/zinc/54/49/11/441544911.db2.gz MVIUWIMTABOFEX-SJORKVTESA-N 0 0 340.427 1.942 10 0 EDAERN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000053844649 441545686 /nfs/dbraw/zinc/54/56/86/441545686.db2.gz LALULZYYQBMGMM-CZUORRHYSA-N 0 0 335.423 1.898 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccn(CCOC)n1 ZINC000088378329 441506113 /nfs/dbraw/zinc/50/61/13/441506113.db2.gz DKZBHHNMFKJENV-NSHDSACASA-N 0 0 333.396 1.340 10 0 EDAERN COc1ccccc1NCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000112911961 441566176 /nfs/dbraw/zinc/56/61/76/441566176.db2.gz YYLIRRYFBORYGX-CQSZACIVSA-N 0 0 330.388 1.231 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000089831043 441583988 /nfs/dbraw/zinc/58/39/88/441583988.db2.gz BKRZDFXHKIQAKZ-CQSZACIVSA-N 0 0 337.387 1.411 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C[C@H]1N(C)c1ncnc2[nH]ccc21 ZINC000034334519 441599346 /nfs/dbraw/zinc/59/93/46/441599346.db2.gz IGNOXKOLEZVMMV-UMVBOHGHSA-N 0 0 343.431 1.668 10 0 EDAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCCn2ncnc21 ZINC000090426223 441629447 /nfs/dbraw/zinc/62/94/47/441629447.db2.gz ZIZGYZLCEVKBOG-INIZCTEOSA-N 0 0 341.415 1.320 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1cn[nH]c1)NC1CCC2(CC1)OCCO2 ZINC000114202706 441641982 /nfs/dbraw/zinc/64/19/82/441641982.db2.gz HPUXBNHLUWFIFW-MRXNPFEDSA-N 0 0 348.447 1.739 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)N1CCOCC1 ZINC000041600592 441662874 /nfs/dbraw/zinc/66/28/74/441662874.db2.gz MMJSNIOXIQXRFV-LLVKDONJSA-N 0 0 325.796 1.115 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1OCCOC)CC2 ZINC000114865462 441693062 /nfs/dbraw/zinc/69/30/62/441693062.db2.gz XBEZPWYDCKMHMJ-ZDUSSCGKSA-N 0 0 344.415 1.611 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1OCCOC)CC2 ZINC000114865460 441693222 /nfs/dbraw/zinc/69/32/22/441693222.db2.gz XBEZPWYDCKMHMJ-CYBMUJFWSA-N 0 0 344.415 1.611 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000114867691 441693922 /nfs/dbraw/zinc/69/39/22/441693922.db2.gz FGKHEHFCZKADIZ-GFCCVEGCSA-N 0 0 328.372 1.357 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1cccc(O)c1)CC2 ZINC000114954575 441702328 /nfs/dbraw/zinc/70/23/28/441702328.db2.gz LVRWMHMYCPARAV-CYBMUJFWSA-N 0 0 329.404 1.403 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121563631 441732858 /nfs/dbraw/zinc/73/28/58/441732858.db2.gz QUXQSSXVAOJWEY-GOEBONIOSA-N 0 0 331.478 1.601 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C3CC3)on2)ncn1 ZINC000173415077 441742286 /nfs/dbraw/zinc/74/22/86/441742286.db2.gz ZXQSYJZTDHRIJO-GFCCVEGCSA-N 0 0 342.403 1.783 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000137313648 441763014 /nfs/dbraw/zinc/76/30/14/441763014.db2.gz OJMLPGIVRRURRS-KGLIPLIRSA-N 0 0 326.437 1.145 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3cccc(C)c3)CCO2)[nH]1 ZINC000136728820 441720009 /nfs/dbraw/zinc/72/00/09/441720009.db2.gz OVYHJKBQHGUFPX-CQSZACIVSA-N 0 0 329.404 1.959 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000173370515 441727514 /nfs/dbraw/zinc/72/75/14/441727514.db2.gz OYVLUOOGCZHESQ-OLZOCXBDSA-N 0 0 349.435 1.499 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCSCc3ccccn3)CCO2)[nH]1 ZINC000173520177 441776317 /nfs/dbraw/zinc/77/63/17/441776317.db2.gz QHIWFIQTUOKAFJ-CQSZACIVSA-N 0 0 347.444 1.732 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000121768979 441777504 /nfs/dbraw/zinc/77/75/04/441777504.db2.gz UZLFZGHPIUCANW-HNNXBMFYSA-N 0 0 341.415 1.993 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCC(=O)NC3CCCCC3)C2)cn1 ZINC000116423526 441820293 /nfs/dbraw/zinc/82/02/93/441820293.db2.gz WQUVNTQHLXWBRJ-AWEZNQCLSA-N 0 0 347.463 1.758 10 0 EDAERN COC(=O)C[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccccc1 ZINC000173539597 441783197 /nfs/dbraw/zinc/78/31/97/441783197.db2.gz NJAOHRMUABTVLC-AWEZNQCLSA-N 0 0 329.356 1.811 10 0 EDAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000115872619 441785352 /nfs/dbraw/zinc/78/53/52/441785352.db2.gz NRWUBNHLMHASIL-GKWPDEDLSA-N 0 0 328.821 1.682 10 0 EDAERN CC(=O)N1CCc2c(sc3ncn(Cc4cc(C)on4)c(=O)c23)C1 ZINC000043139832 441820509 /nfs/dbraw/zinc/82/05/09/441820509.db2.gz BCRXEVYWLKLCIN-UHFFFAOYSA-N 0 0 344.396 1.707 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)C2)cn1 ZINC000116121289 441795412 /nfs/dbraw/zinc/79/54/12/441795412.db2.gz KVQTWMQCJSFETP-GFCCVEGCSA-N 0 0 338.367 1.276 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)CCC(=O)c3cccs3)CCO2)[nH]1 ZINC000173579773 441798339 /nfs/dbraw/zinc/79/83/39/441798339.db2.gz BEFYKNPTMVUZIQ-LBPRGKRZSA-N 0 0 348.428 1.992 10 0 EDAERN Cc1cccc(O[C@@H](C)CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173896490 441858000 /nfs/dbraw/zinc/85/80/00/441858000.db2.gz JPHPLQRCIJLIGR-IRXDYDNUSA-N 0 0 347.459 1.878 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173692118 441825762 /nfs/dbraw/zinc/82/57/62/441825762.db2.gz BPLOJWIRXMWZCS-OAHLLOKOSA-N 0 0 341.415 1.951 10 0 EDAERN CCc1nnc([C@H]2CN(S(=O)(=O)CC(CC)CC)CCO2)[nH]1 ZINC000173739127 441831628 /nfs/dbraw/zinc/83/16/28/441831628.db2.gz LBYFPGVDBDCNGI-GFCCVEGCSA-N 0 0 330.454 1.506 10 0 EDAERN CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000173778134 441838722 /nfs/dbraw/zinc/83/87/22/441838722.db2.gz RPMFWUCIRNMIQX-MNOVXSKESA-N 0 0 349.341 1.387 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)s2)C[C@@H]1CC ZINC000116770652 441842294 /nfs/dbraw/zinc/84/22/94/441842294.db2.gz HPZVWGCRRAZWSQ-LBPRGKRZSA-N 0 0 339.461 1.420 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)[nH]n2)o1 ZINC000173830621 441847173 /nfs/dbraw/zinc/84/71/73/441847173.db2.gz OXQOJOPZTGWUBR-WBMJQRKESA-N 0 0 344.415 1.771 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)C[C@@H]1N1CCOCC1 ZINC000173854505 441851601 /nfs/dbraw/zinc/85/16/01/441851601.db2.gz HCLGWDYGHOHDNK-HOCLYGCPSA-N 0 0 346.427 1.641 10 0 EDAERN Cc1ccc(OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000173860330 441851732 /nfs/dbraw/zinc/85/17/32/441851732.db2.gz ZNKOWOCEQDIBEY-SJORKVTESA-N 0 0 332.444 1.861 10 0 EDAERN O=C(CSCc1cscn1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000123132342 441875962 /nfs/dbraw/zinc/87/59/62/441875962.db2.gz MBHPOCZUCZJGIX-GFCCVEGCSA-N 0 0 349.485 1.952 10 0 EDAERN CCc1nc(C)cc(=O)n1CCOc1ccc(CN(O)C(N)=O)cc1 ZINC000144214728 441879747 /nfs/dbraw/zinc/87/97/47/441879747.db2.gz POUGDRPKPCOQMP-UHFFFAOYSA-N 0 0 346.387 1.463 10 0 EDAERN Cc1ncc([C@@H]2OCCc3ccsc32)n1S(=O)(=O)N(C)C ZINC000117864181 441881231 /nfs/dbraw/zinc/88/12/31/441881231.db2.gz BSTYEWVPNPQKAI-LBPRGKRZSA-N 0 0 327.431 1.570 10 0 EDAERN CCOc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1OC(F)F ZINC000093884809 441898263 /nfs/dbraw/zinc/89/82/63/441898263.db2.gz ZKCBCXRZULOSLX-GWCFXTLKSA-N 0 0 328.315 1.516 10 0 EDAERN CCc1cc(N2CCC[C@H](c3nn[nH]n3)C2)nc(-c2ccccn2)n1 ZINC000095997059 441975918 /nfs/dbraw/zinc/97/59/18/441975918.db2.gz AKXRUCMAKXSVHU-LBPRGKRZSA-N 0 0 336.403 1.998 10 0 EDAERN Cc1ccc2ncc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)n2c1 ZINC000119803662 441956273 /nfs/dbraw/zinc/95/62/73/441956273.db2.gz BZOUXHQDXGEYSI-AUUYWEPGSA-N 0 0 341.411 1.770 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cncc(O)c2)ncn1 ZINC000174743778 441963519 /nfs/dbraw/zinc/96/35/19/441963519.db2.gz VZKUOXRJZSMSKU-GFCCVEGCSA-N 0 0 328.376 1.018 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](C)Cc3cc(C)n[nH]3)CCO2)c1 ZINC000124941278 441967975 /nfs/dbraw/zinc/96/79/75/441967975.db2.gz YVPYVOBRYNQXAW-CJNGLKHVSA-N 0 0 346.435 1.265 10 0 EDAERN CS(=O)(=O)c1ccccc1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125246416 442002106 /nfs/dbraw/zinc/00/21/06/442002106.db2.gz INVOWDFICOUYOV-UHFFFAOYSA-N 0 0 333.413 1.833 10 0 EDAERN Cc1ncc(CN2CCN(CCCS(=O)(=O)C(C)C)CC2)s1 ZINC000120006989 441992268 /nfs/dbraw/zinc/99/22/68/441992268.db2.gz GFCBWIZCUXWJJQ-UHFFFAOYSA-N 0 0 345.534 1.782 10 0 EDAERN COc1ccc(O[C@@H](C)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000175122278 442007167 /nfs/dbraw/zinc/00/71/67/442007167.db2.gz GGGOEJKTULHKLW-QWHCGFSZSA-N 0 0 345.403 1.368 10 0 EDAERN O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000161701601 442025320 /nfs/dbraw/zinc/02/53/20/442025320.db2.gz GPPAHCCEYGCLPW-LSDHHAIUSA-N 0 0 328.478 1.049 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(COC)ncn1 ZINC000151249067 442031746 /nfs/dbraw/zinc/03/17/46/442031746.db2.gz WPIVPQDGDVQXGJ-LLVKDONJSA-N 0 0 331.380 1.434 10 0 EDAERN CC[C@@H](CO)NC(=O)c1ccc(NCc2nnnn2C(C)C)cc1 ZINC000120236774 442034628 /nfs/dbraw/zinc/03/46/28/442034628.db2.gz ACPDPIBZIGLLEP-ZDUSSCGKSA-N 0 0 332.408 1.367 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCSc3ccccc3)CCO2)[nH]1 ZINC000175323068 442041800 /nfs/dbraw/zinc/04/18/00/442041800.db2.gz MFBJVTIXECMPSS-AWEZNQCLSA-N 0 0 347.444 1.988 10 0 EDAERN CCO[C@H](CCNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)C(C)C ZINC000175609940 442092357 /nfs/dbraw/zinc/09/23/57/442092357.db2.gz KGYMULOQYDFLNZ-ZIAGYGMSSA-N 0 0 339.440 1.647 10 0 EDAERN O=C(CCNC(=O)c1cccs1)N1CCC(c2cc[nH]n2)CC1 ZINC000125713805 442043707 /nfs/dbraw/zinc/04/37/07/442043707.db2.gz FVZWXSBXUGIFOW-UHFFFAOYSA-N 0 0 332.429 1.997 10 0 EDAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCS[C@@H](C)C1 ZINC000175375738 442052532 /nfs/dbraw/zinc/05/25/32/442052532.db2.gz BJXJAEBJSKOFOV-VIFPVBQESA-N 0 0 332.447 1.416 10 0 EDAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151451478 442064620 /nfs/dbraw/zinc/06/46/20/442064620.db2.gz YZQXNNGVSNWKNE-DJJJIMSYSA-N 0 0 342.395 1.436 10 0 EDAERN COCCOc1cccc(CC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000126284220 442095516 /nfs/dbraw/zinc/09/55/16/442095516.db2.gz XZRGFGRGWXBUSZ-HNNXBMFYSA-N 0 0 330.388 1.497 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cccc4[nH]ccc43)C2)cn1 ZINC000126105455 442079159 /nfs/dbraw/zinc/07/91/59/442079159.db2.gz VLILFMKQTCBGQJ-GFCCVEGCSA-N 0 0 337.383 1.856 10 0 EDAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000126204028 442088261 /nfs/dbraw/zinc/08/82/61/442088261.db2.gz SUPRBHCDQSIGNT-ZNMIVQPWSA-N 0 0 325.453 1.892 10 0 EDAERN CC(C)[C@@H](C)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000162697567 442115766 /nfs/dbraw/zinc/11/57/66/442115766.db2.gz OUJMZSSJPWEIKW-GFCCVEGCSA-N 0 0 338.433 1.717 10 0 EDAERN Cc1cc(NC(=O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000163182145 442149154 /nfs/dbraw/zinc/14/91/54/442149154.db2.gz LUENGMMSMIZDTI-LLVKDONJSA-N 0 0 337.401 1.676 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2C(=O)N(CC)CC)C1 ZINC000151771508 442117504 /nfs/dbraw/zinc/11/75/04/442117504.db2.gz LFCHASPPYYKNRP-ZIAGYGMSSA-N 0 0 338.452 1.040 10 0 EDAERN CN(C(=O)COc1ccccc1O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000151771989 442119251 /nfs/dbraw/zinc/11/92/51/442119251.db2.gz FDSJUPSYPPZTLI-CQSZACIVSA-N 0 0 342.399 1.688 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000162502588 442098838 /nfs/dbraw/zinc/09/88/38/442098838.db2.gz VKMZJGPOLPKQBC-AWEZNQCLSA-N 0 0 327.432 1.729 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2)C1 ZINC000120615148 442104903 /nfs/dbraw/zinc/10/49/03/442104903.db2.gz PIPNDOXYEANOHH-HNNXBMFYSA-N 0 0 341.415 1.951 10 0 EDAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000126402322 442107876 /nfs/dbraw/zinc/10/78/76/442107876.db2.gz RGTZUFGACQTUPW-GFCCVEGCSA-N 0 0 333.432 1.366 10 0 EDAERN O=C([C@@H]1C[C@@H]1C1CC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000176098264 442175515 /nfs/dbraw/zinc/17/55/15/442175515.db2.gz PUAOOBMULPBXNT-BHIYHBOVSA-N 0 0 344.455 1.617 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000163591129 442175958 /nfs/dbraw/zinc/17/59/58/442175958.db2.gz XYBYREKLCQIJSC-LBPRGKRZSA-N 0 0 342.754 1.972 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CSCC(=O)OC(C)(C)C)C2)cn1 ZINC000127181387 442178002 /nfs/dbraw/zinc/17/80/02/442178002.db2.gz CLMLAXYGJPAOPD-GFCCVEGCSA-N 0 0 339.461 1.811 10 0 EDAERN C[C@H](NC(=O)N1CCC(Cn2cccn2)CC1)[C@H](C)N1CCOCC1 ZINC000127185480 442179193 /nfs/dbraw/zinc/17/91/93/442179193.db2.gz WQBVOPWROWBPAC-HOTGVXAUSA-N 0 0 349.479 1.414 10 0 EDAERN CCn1cnnc1C1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000152192055 442179998 /nfs/dbraw/zinc/17/99/98/442179998.db2.gz JPKBKVDTSRTLBG-UHFFFAOYSA-N 0 0 345.422 1.933 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCc3ccc(O)c(F)c3)CCO2)c1 ZINC000163767788 442181261 /nfs/dbraw/zinc/18/12/61/442181261.db2.gz LSLDPPHCCSOVMY-CQSZACIVSA-N 0 0 348.378 1.647 10 0 EDAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000121143294 442182831 /nfs/dbraw/zinc/18/28/31/442182831.db2.gz HBIYIXDEZJLPFG-SNVBAGLBSA-N 0 0 341.205 1.679 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cncc(OC(C)C)c3)CCO2)[nH]1 ZINC000164069691 442189440 /nfs/dbraw/zinc/18/94/40/442189440.db2.gz RSFBNRJWMJPGJY-CQSZACIVSA-N 0 0 345.403 1.763 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 ZINC000152044395 442157435 /nfs/dbraw/zinc/15/74/35/442157435.db2.gz ICFPLNSHRMLUHV-CYBMUJFWSA-N 0 0 329.356 1.158 10 0 EDAERN CN1C(=O)CCc2cc(NC(=O)N[C@H]3CCCn4ncnc43)ccc21 ZINC000175991601 442158598 /nfs/dbraw/zinc/15/85/98/442158598.db2.gz KCQMGSVJBNNVBH-ZDUSSCGKSA-N 0 0 340.387 1.844 10 0 EDAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000163400885 442163990 /nfs/dbraw/zinc/16/39/90/442163990.db2.gz HXCJRIHMFAYKML-LBPRGKRZSA-N 0 0 336.823 1.679 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000127039469 442164641 /nfs/dbraw/zinc/16/46/41/442164641.db2.gz NWDWUWPBQBDUSN-UHFFFAOYSA-N 0 0 338.371 1.132 10 0 EDAERN C[C@H]1CN=C(N2CCN(C[C@H](O)COCc3ccccc3)CC2)S1 ZINC000127049284 442165153 /nfs/dbraw/zinc/16/51/53/442165153.db2.gz GHCYFNFGKYERHI-RDJZCZTQSA-N 0 0 349.500 1.673 10 0 EDAERN COc1ccc(C)nc1NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000128171720 442250107 /nfs/dbraw/zinc/25/01/07/442250107.db2.gz VECJHYHZYMHRQS-AWEZNQCLSA-N 0 0 345.403 1.836 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1nc[nH]n1 ZINC000176752321 442253546 /nfs/dbraw/zinc/25/35/46/442253546.db2.gz SFLGENPKSHJUQB-SGMGOOAPSA-N 0 0 329.404 1.827 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCCNC(=O)C2CC2)C12CCCC2 ZINC000152981827 442254624 /nfs/dbraw/zinc/25/46/24/442254624.db2.gz AORSMVWIIMRBKY-HUUCEWRRSA-N 0 0 337.464 1.892 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(Cc3cc(C(N)=O)cs3)CC2)n1 ZINC000121414239 442214219 /nfs/dbraw/zinc/21/42/19/442214219.db2.gz RPRAJLFOGGBSOL-LLVKDONJSA-N 0 0 349.460 1.671 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)CCNS(=O)(=O)c1ccccc1 ZINC000176422408 442220374 /nfs/dbraw/zinc/22/03/74/442220374.db2.gz DFXLKXDDQVLPEA-CYBMUJFWSA-N 0 0 342.461 1.627 10 0 EDAERN O=C(COc1cccc2ccccc21)NC[C@H](O)CN1CCOCC1 ZINC000176439211 442222154 /nfs/dbraw/zinc/22/21/54/442222154.db2.gz KSIWXAIHXPCINB-INIZCTEOSA-N 0 0 344.411 1.028 10 0 EDAERN CC[C@@H]1CN(C(=O)NCCOCc2ccccc2)CC[N@@H+]1CCOC ZINC000176442560 442222562 /nfs/dbraw/zinc/22/25/62/442222562.db2.gz OMYRBLABYHJZFM-GOSISDBHSA-N 0 0 349.475 1.955 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000176569041 442235504 /nfs/dbraw/zinc/23/55/04/442235504.db2.gz HAJONINAPFDZHL-SDWAUSNYSA-N 0 0 339.396 1.669 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)c2ccc[nH]c2=O)N2CCOCC2)s1 ZINC000176573221 442236098 /nfs/dbraw/zinc/23/60/98/442236098.db2.gz KRNPUJOPLQDPPT-CQSZACIVSA-N 0 0 347.440 1.960 10 0 EDAERN Cc1ccc(CNC(=O)[C@@H](C)[S@](=O)Cc2nnnn2C(C)C)cc1 ZINC000176574422 442236253 /nfs/dbraw/zinc/23/62/53/442236253.db2.gz URNBMEHBLGTFQC-YEBMWUKDSA-N 0 0 349.460 1.516 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CSCCS1 ZINC000176585314 442237664 /nfs/dbraw/zinc/23/76/64/442237664.db2.gz JYCFUWCADGGUBO-QWRGUYRKSA-N 0 0 327.479 1.569 10 0 EDAERN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@H]1c1ccco1 ZINC000176601639 442238699 /nfs/dbraw/zinc/23/86/99/442238699.db2.gz IKESPQYBXLEBQC-IUODEOHRSA-N 0 0 347.396 1.673 10 0 EDAERN CCc1noc2ncc(C(=O)N3CCOC[C@@H]3c3nc(C)no3)cc12 ZINC000152798709 442244183 /nfs/dbraw/zinc/24/41/83/442244183.db2.gz FKMLRJFWLXNHTB-CYBMUJFWSA-N 0 0 343.343 1.690 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3C)C2)c1 ZINC000176662125 442244688 /nfs/dbraw/zinc/24/46/88/442244688.db2.gz XSQBVEPVUQPNRR-CYBMUJFWSA-N 0 0 330.392 1.036 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000170807370 442267189 /nfs/dbraw/zinc/26/71/89/442267189.db2.gz JIQIOLZCSHNOFF-PBHICJAKSA-N 0 0 333.432 1.605 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000176928276 442274872 /nfs/dbraw/zinc/27/48/72/442274872.db2.gz JPXRSJODCDFSSL-CHWSQXEVSA-N 0 0 335.429 1.730 10 0 EDAERN COCCCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000176927520 442274973 /nfs/dbraw/zinc/27/49/73/442274973.db2.gz KCGSNZJAKVOLHY-KBPBESRZSA-N 0 0 341.477 1.846 10 0 EDAERN O=C(NCc1ccnc(-n2cccn2)c1)NC[C@@H]1CCCC[C@@H]1O ZINC000153380650 442279241 /nfs/dbraw/zinc/27/92/41/442279241.db2.gz HHTQEHNVOVEJLN-GJZGRUSLSA-N 0 0 329.404 1.618 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)C[C@@H]1N1CCOCC1 ZINC000176990803 442281167 /nfs/dbraw/zinc/28/11/67/442281167.db2.gz KBBHNKRCXOMMQZ-RISCZKNCSA-N 0 0 346.399 1.306 10 0 EDAERN Nc1ccc(F)c(NC(=O)CCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000177057563 442291675 /nfs/dbraw/zinc/29/16/75/442291675.db2.gz USWBNSINWOYLLQ-CQSZACIVSA-N 0 0 347.394 1.334 10 0 EDAERN Cc1cccc(CSCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000129089420 442300914 /nfs/dbraw/zinc/30/09/14/442300914.db2.gz CTVPDHFYKCTJAO-MRXNPFEDSA-N 0 0 338.473 1.038 10 0 EDAERN O=C(N[C@@H]1COc2ccccc21)N1CCN(c2cccnn2)CC1 ZINC000171198293 442326175 /nfs/dbraw/zinc/32/61/75/442326175.db2.gz SPSRNXARGADFQZ-CQSZACIVSA-N 0 0 325.372 1.442 10 0 EDAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000171243204 442332899 /nfs/dbraw/zinc/33/28/99/442332899.db2.gz QMEFNCZDYODWLF-LLVKDONJSA-N 0 0 329.393 1.929 10 0 EDAERN COCCOCc1cc(C(=O)N[C@@H]2CCCn3ncnc32)ccc1F ZINC000177531358 442354353 /nfs/dbraw/zinc/35/43/53/442354353.db2.gz WNOAASDGVYKKMR-OAHLLOKOSA-N 0 0 348.378 1.845 10 0 EDAERN CCCc1c(C(=O)NC[C@@H]2CN(C)CCO2)[nH]c(C)c1C(=O)OC ZINC000171287182 442338909 /nfs/dbraw/zinc/33/89/09/442338909.db2.gz RUWCZZUVSOCHPM-GFCCVEGCSA-N 0 0 337.420 1.123 10 0 EDAERN C[C@H](SC[C@@H](O)CO)C(=O)Nc1ncc(Cl)cc1Cl ZINC000177438878 442341508 /nfs/dbraw/zinc/34/15/08/442341508.db2.gz OPHRWUYZPJGIEK-XPUUQOCRSA-N 0 0 325.217 1.802 10 0 EDAERN COc1ncccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171399224 442345389 /nfs/dbraw/zinc/34/53/89/442345389.db2.gz DQRVEMCYDAEHGJ-CYBMUJFWSA-N 0 0 329.360 1.126 10 0 EDAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C1 ZINC000171481114 442352223 /nfs/dbraw/zinc/35/22/23/442352223.db2.gz BIUATDHTJWUCIQ-HOTGVXAUSA-N 0 0 346.431 1.130 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CCOC3CCOCC3)C2)no1 ZINC000177231107 442317059 /nfs/dbraw/zinc/31/70/59/442317059.db2.gz HEFUHJWATNDTRI-CQSZACIVSA-N 0 0 337.420 1.745 10 0 EDAERN COCCOCCS(=O)(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000155033071 442372200 /nfs/dbraw/zinc/37/22/00/442372200.db2.gz MYNVPSBNCAZYFY-CYBMUJFWSA-N 0 0 348.490 1.624 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCCCCCC1=O ZINC000177697714 442372501 /nfs/dbraw/zinc/37/25/01/442372501.db2.gz ROGLNOLMSLSSFQ-CYBMUJFWSA-N 0 0 349.435 1.168 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000177716700 442374776 /nfs/dbraw/zinc/37/47/76/442374776.db2.gz XBDDLBAUHIEOCQ-CYBMUJFWSA-N 0 0 328.376 1.603 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCCNC(=O)c1ccccc1 ZINC000177714382 442375185 /nfs/dbraw/zinc/37/51/85/442375185.db2.gz TUXNNPXHCJFRHM-OAHLLOKOSA-N 0 0 341.415 1.748 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NC[C@H](C)COC)CC2)cn1 ZINC000171853522 442385188 /nfs/dbraw/zinc/38/51/88/442385188.db2.gz JSZNUONGXXYSTP-HNNXBMFYSA-N 0 0 337.468 1.403 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000155372409 442392199 /nfs/dbraw/zinc/39/21/99/442392199.db2.gz IDKSVWKCQSSJIE-HNNXBMFYSA-N 0 0 327.388 1.292 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1 ZINC000155416019 442396533 /nfs/dbraw/zinc/39/65/33/442396533.db2.gz JRSNSOXWMVHAQF-OCCSQVGLSA-N 0 0 330.388 1.843 10 0 EDAERN CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1CCc2nc(CC)nn2C1 ZINC000154826613 442358895 /nfs/dbraw/zinc/35/88/95/442358895.db2.gz UESXXCQGBCDVOU-HOTGVXAUSA-N 0 0 342.443 1.919 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cnccc3C)C2)no1 ZINC000177592155 442360733 /nfs/dbraw/zinc/36/07/33/442360733.db2.gz CGLWCTBLDLDRAG-CYBMUJFWSA-N 0 0 343.387 1.501 10 0 EDAERN CC(=O)N(CCC(=O)N[C@H]1CCCn2ncnc21)Cc1ccccc1 ZINC000177606615 442361587 /nfs/dbraw/zinc/36/15/87/442361587.db2.gz LQGMGRQZFHBHOH-INIZCTEOSA-N 0 0 341.415 1.668 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnc3onc(CC)c3c1)CC2 ZINC000172259692 442431733 /nfs/dbraw/zinc/43/17/33/442431733.db2.gz MFUCJVIBJSOGED-LLVKDONJSA-N 0 0 340.387 1.684 10 0 EDAERN Cc1cnn(CCNC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 ZINC000133837643 442436486 /nfs/dbraw/zinc/43/64/86/442436486.db2.gz AVSRTIPAFSWAIE-MRXNPFEDSA-N 0 0 349.479 1.775 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3nccn3c2)C[C@@H]1CC ZINC000172298513 442437917 /nfs/dbraw/zinc/43/79/17/442437917.db2.gz FYROACGDSFMITK-INIZCTEOSA-N 0 0 330.432 1.907 10 0 EDAERN CC[C@H](C)[C@H](O)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172304955 442440348 /nfs/dbraw/zinc/44/03/48/442440348.db2.gz VRXFLKMPZMTMPS-SLEUVZQESA-N 0 0 342.461 1.857 10 0 EDAERN COc1ccccc1OCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133931088 442441131 /nfs/dbraw/zinc/44/11/31/442441131.db2.gz JWTKUGMXRDWJLD-CYBMUJFWSA-N 0 0 344.415 1.920 10 0 EDAERN C[C@H](NC(=O)NCCCOCC(F)(F)F)c1nnc2n1CCCC2 ZINC000178550774 442443477 /nfs/dbraw/zinc/44/34/77/442443477.db2.gz KFZKDBFBFCMHJZ-JTQLQIEISA-N 0 0 349.357 1.944 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCc1cn(C)nc1C(F)(F)F)C(C)C ZINC000156033291 442443667 /nfs/dbraw/zinc/44/36/67/442443667.db2.gz COZRHDCWNQDFBL-SECBINFHSA-N 0 0 336.314 1.436 10 0 EDAERN COc1ncccc1CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000156142899 442450068 /nfs/dbraw/zinc/45/00/68/442450068.db2.gz ZYIDHGVVUVGUAD-ZDUSSCGKSA-N 0 0 344.419 1.619 10 0 EDAERN CCn1cnnc1C1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000178643881 442451468 /nfs/dbraw/zinc/45/14/68/442451468.db2.gz GWCJAMRWUINFLO-UHFFFAOYSA-N 0 0 348.451 1.246 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCCNC(=O)C(C)(C)C)CC2 ZINC000134137368 442452277 /nfs/dbraw/zinc/45/22/77/442452277.db2.gz LCRSWUAODXITTH-CYBMUJFWSA-N 0 0 349.479 1.775 10 0 EDAERN CCCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000178662424 442453860 /nfs/dbraw/zinc/45/38/60/442453860.db2.gz NLCASPTXSMQCMK-OWCLPIDISA-N 0 0 341.496 1.942 10 0 EDAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172395914 442454503 /nfs/dbraw/zinc/45/45/03/442454503.db2.gz MPBBRBFKDCEUCN-LLVKDONJSA-N 0 0 326.360 1.000 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@H](O)c2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000156536825 442491365 /nfs/dbraw/zinc/49/13/65/442491365.db2.gz JFAXJRULRGRRII-XYPHTWIQSA-N 0 0 336.407 1.428 10 0 EDAERN CCOC(=O)CCCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000156584268 442497994 /nfs/dbraw/zinc/49/79/94/442497994.db2.gz RNRNJAWXQDJZIF-GFCCVEGCSA-N 0 0 337.424 1.359 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000186313655 442510509 /nfs/dbraw/zinc/51/05/09/442510509.db2.gz FDWLUDZJLNZNRS-UHFFFAOYSA-N 0 0 348.790 1.317 10 0 EDAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172600535 442500873 /nfs/dbraw/zinc/50/08/73/442500873.db2.gz FMBOVYYMJWAMAM-DGCLKSJQSA-N 0 0 345.451 1.819 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)COc3ccccc3C=O)CCO2)cn1 ZINC000191761447 442505916 /nfs/dbraw/zinc/50/59/16/442505916.db2.gz QVBTZXYJAFWJLY-QGZVFWFLSA-N 0 0 343.383 1.694 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccnc1OCC(F)(F)F ZINC000191765773 442507008 /nfs/dbraw/zinc/50/70/08/442507008.db2.gz MXUKDRCYQFXQPU-SECBINFHSA-N 0 0 331.294 1.373 10 0 EDAERN CNC(=O)[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)C(C)C ZINC000178721090 442463108 /nfs/dbraw/zinc/46/31/08/442463108.db2.gz YMZBXHSYDUJDRT-CZUORRHYSA-N 0 0 331.416 1.464 10 0 EDAERN Cn1ccc(NC(=O)N2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000172481390 442471375 /nfs/dbraw/zinc/47/13/75/442471375.db2.gz RHWVIQMXDYUNLY-UHFFFAOYSA-N 0 0 326.360 1.915 10 0 EDAERN COC(=O)N1CC(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000178748192 442473649 /nfs/dbraw/zinc/47/36/49/442473649.db2.gz NUYGEQHLEXDVDC-UHFFFAOYSA-N 0 0 335.408 1.062 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)no1 ZINC000134426879 442481245 /nfs/dbraw/zinc/48/12/45/442481245.db2.gz GTUOGXAIHQXRCL-CYBMUJFWSA-N 0 0 344.419 1.256 10 0 EDAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000156446698 442481984 /nfs/dbraw/zinc/48/19/84/442481984.db2.gz MQCFRYFQPVSXTP-ZDUSSCGKSA-N 0 0 328.372 1.089 10 0 EDAERN COCc1nc(C)c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000135024451 442548177 /nfs/dbraw/zinc/54/81/77/442548177.db2.gz XCGZXTMIHAQXIH-GFCCVEGCSA-N 0 0 347.444 1.787 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2ccc(Br)cc2O)C1 ZINC000134705521 442514000 /nfs/dbraw/zinc/51/40/00/442514000.db2.gz NYVYPGIECDAATP-NSHDSACASA-N 0 0 343.221 1.605 10 0 EDAERN COc1c(C)ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1C ZINC000172665368 442517981 /nfs/dbraw/zinc/51/79/81/442517981.db2.gz WGZZIOSORVEUQO-ZFWWWQNUSA-N 0 0 334.416 1.918 10 0 EDAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172743610 442531921 /nfs/dbraw/zinc/53/19/21/442531921.db2.gz RNQKAYCXBGHKPJ-NVXWUHKLSA-N 0 0 329.400 1.113 10 0 EDAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1-c1cccc(Cl)c1 ZINC000180269218 442570203 /nfs/dbraw/zinc/57/02/03/442570203.db2.gz OKYRSCWCHDJBLE-AWEZNQCLSA-N 0 0 348.790 1.160 10 0 EDAERN Cc1cccc(-c2cncc(C(=O)N3CCOC[C@@H]3C(N)=O)c2)c1 ZINC000180275629 442571944 /nfs/dbraw/zinc/57/19/44/442571944.db2.gz MUTGGYBNCJLFKO-MRXNPFEDSA-N 0 0 325.368 1.383 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000179101126 442572609 /nfs/dbraw/zinc/57/26/09/442572609.db2.gz ZTFRCMHRJGMZMM-XIRDDKMYSA-N 0 0 345.443 1.902 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(OCc2cccs2)c1 ZINC000180274866 442572664 /nfs/dbraw/zinc/57/26/64/442572664.db2.gz XOPUBNRUYGYYIO-OAHLLOKOSA-N 0 0 346.408 1.653 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)c2cc(Br)nn2C)cn1 ZINC000192056398 442581672 /nfs/dbraw/zinc/58/16/72/442581672.db2.gz MTTROSIKVWZODZ-SNVBAGLBSA-N 0 0 338.209 1.893 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000173076529 442598897 /nfs/dbraw/zinc/59/88/97/442598897.db2.gz CLVFPNFKNUEDCW-GFCCVEGCSA-N 0 0 329.404 1.453 10 0 EDAERN Cn1ccnc1CN1CCC(C(=O)N[C@H]2CCCC[C@H]2CO)CC1 ZINC000179216597 442599678 /nfs/dbraw/zinc/59/96/78/442599678.db2.gz CGTNLBGDYLAPCV-HOTGVXAUSA-N 0 0 334.464 1.299 10 0 EDAERN Cn1nc(Br)cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000192188990 442609772 /nfs/dbraw/zinc/60/97/72/442609772.db2.gz WUTKWEXMGIALQY-MWLCHTKSSA-N 0 0 328.210 1.966 10 0 EDAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(I)c[nH]1 ZINC000179244136 442603768 /nfs/dbraw/zinc/60/37/68/442603768.db2.gz MGVBTDASKSTNLW-SCZZXKLOSA-N 0 0 348.184 1.900 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000173105966 442604947 /nfs/dbraw/zinc/60/49/47/442604947.db2.gz NNMCGKOFZXXEBQ-SWLSCSKDSA-N 0 0 340.514 1.994 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccccc3Cl)CCO2)[nH]1 ZINC000180224871 442561680 /nfs/dbraw/zinc/56/16/80/442561680.db2.gz XBCXNOSLYKZFTN-GFCCVEGCSA-N 0 0 349.778 1.305 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1F ZINC000180247882 442565760 /nfs/dbraw/zinc/56/57/60/442565760.db2.gz VBBFBLPKXRDMNK-XJKSGUPXSA-N 0 0 349.406 1.252 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cncc(Cl)n2)ncn1 ZINC000192358652 442639332 /nfs/dbraw/zinc/63/93/32/442639332.db2.gz WUTVDCKIKOEQIP-SNVBAGLBSA-N 0 0 347.810 1.361 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000180709618 442650590 /nfs/dbraw/zinc/65/05/90/442650590.db2.gz XXGCEXCEUNVIJS-GFCCVEGCSA-N 0 0 344.423 1.566 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc(C)nc2C)ncn1 ZINC000180486042 442609886 /nfs/dbraw/zinc/60/98/86/442609886.db2.gz PFFVCPFYDQHDCV-CYBMUJFWSA-N 0 0 341.419 1.324 10 0 EDAERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000180534641 442618301 /nfs/dbraw/zinc/61/83/01/442618301.db2.gz QJOHFQYGLXJONO-RDBSUJKOSA-N 0 0 330.494 1.847 10 0 EDAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1=NN(CCO)C(=O)CC1 ZINC000136263469 442657693 /nfs/dbraw/zinc/65/76/93/442657693.db2.gz JLIHZBKRXDCXED-NXEZZACHSA-N 0 0 335.326 1.194 10 0 EDAERN COC(=O)c1ccc(C(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)nc1 ZINC000187651886 442684438 /nfs/dbraw/zinc/68/44/38/442684438.db2.gz YEMOJXRNTGSXEE-ZIAGYGMSSA-N 0 0 346.408 1.778 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)c3cccc4n[nH]nc43)C2)no1 ZINC000187754576 442691204 /nfs/dbraw/zinc/69/12/04/442691204.db2.gz BGUJHESSKIBJNA-LLVKDONJSA-N 0 0 326.360 1.744 10 0 EDAERN Cc1nccc(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000181500128 442700470 /nfs/dbraw/zinc/70/04/70/442700470.db2.gz SNGLXMWVASPTFE-CYBMUJFWSA-N 0 0 329.408 1.314 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3CCCc4cccnc43)CCO2)c1 ZINC000192560947 442662272 /nfs/dbraw/zinc/66/22/72/442662272.db2.gz FRLUXVPLKPHCAN-IRXDYDNUSA-N 0 0 340.427 1.934 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C(F)(F)F)C(C)C ZINC000180822340 442662526 /nfs/dbraw/zinc/66/25/26/442662526.db2.gz JZWDVNPSTRJAFA-ZYHUDNBSSA-N 0 0 326.359 1.555 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](CCO)c1ccco1)CC2 ZINC000187311244 442669335 /nfs/dbraw/zinc/66/93/35/442669335.db2.gz SSRYIOGOMAKYHX-OLZOCXBDSA-N 0 0 347.419 1.732 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000181886308 442720363 /nfs/dbraw/zinc/72/03/63/442720363.db2.gz GBKBEIDBUCNVPC-HUUCEWRRSA-N 0 0 339.436 1.374 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000188249547 442728782 /nfs/dbraw/zinc/72/87/82/442728782.db2.gz PDYUTSUAKUOMNA-QGZVFWFLSA-N 0 0 343.383 1.525 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000182151831 442740377 /nfs/dbraw/zinc/74/03/77/442740377.db2.gz YGGDLHYPBQSFLT-KBPBESRZSA-N 0 0 327.469 1.431 10 0 EDAERN CCC[C@]1(COC)CCCN1C(=O)NC[C@H](C)N1CCOCC1 ZINC000193460924 442745182 /nfs/dbraw/zinc/74/51/82/442745182.db2.gz YKJHNRXOLHFIDX-DOTOQJQBSA-N 0 0 327.469 1.698 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000188387524 442746158 /nfs/dbraw/zinc/74/61/58/442746158.db2.gz FTCUZMAXYBHMEH-VXGBXAGGSA-N 0 0 327.178 1.369 10 0 EDAERN CC(C)n1nnnc1CN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000193488330 442747537 /nfs/dbraw/zinc/74/75/37/442747537.db2.gz HCLXLVJGMPRZIU-BETUJISGSA-N 0 0 336.440 1.553 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2ccc(F)cc2Br)C1 ZINC000188097648 442711331 /nfs/dbraw/zinc/71/13/31/442711331.db2.gz DHPUPZNZRCUJIM-GFCCVEGCSA-N 0 0 345.212 1.578 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(Br)cc1O ZINC000188104028 442711951 /nfs/dbraw/zinc/71/19/51/442711951.db2.gz SLPJWXANHQFTTD-QMMMGPOBSA-N 0 0 327.178 1.505 10 0 EDAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000193114894 442714814 /nfs/dbraw/zinc/71/48/14/442714814.db2.gz FQEVIGZCHODXFW-YNEHKIRRSA-N 0 0 328.434 1.273 10 0 EDAERN CCc1cnccc1C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000182558320 442787271 /nfs/dbraw/zinc/78/72/71/442787271.db2.gz FKIQXVVACFPPSK-CQSZACIVSA-N 0 0 340.431 1.875 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccco3)CCO2)n1 ZINC000188681656 442787517 /nfs/dbraw/zinc/78/75/17/442787517.db2.gz GJKMRRKZPNUYDV-ZDUSSCGKSA-N 0 0 325.390 1.183 10 0 EDAERN C[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000193850393 442798634 /nfs/dbraw/zinc/79/86/34/442798634.db2.gz FEOAQGWPGPSUEF-IUCAKERBSA-N 0 0 336.816 1.936 10 0 EDAERN Cn1ccnc(N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1=O ZINC000182650332 442801552 /nfs/dbraw/zinc/80/15/52/442801552.db2.gz NUVNKLBZNCPYHK-AVGNSLFASA-N 0 0 334.420 1.520 10 0 EDAERN O=C(c1cnn(CCC(F)(F)F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000182474844 442773493 /nfs/dbraw/zinc/77/34/93/442773493.db2.gz URVMAAPHGMRUCG-CYBMUJFWSA-N 0 0 346.353 1.382 10 0 EDAERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188885961 442835060 /nfs/dbraw/zinc/83/50/60/442835060.db2.gz HTMPLFFMDWJJOF-HOCLYGCPSA-N 0 0 337.464 1.748 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000188870009 442831442 /nfs/dbraw/zinc/83/14/42/442831442.db2.gz ZKXQVMZWIMSLJH-VIFPVBQESA-N 0 0 331.294 1.373 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)C1 ZINC000247076997 442833969 /nfs/dbraw/zinc/83/39/69/442833969.db2.gz OYFOVPNHXMWAOF-OAGGEKHMSA-N 0 0 325.453 1.748 10 0 EDAERN COc1ccc(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188768780 442808907 /nfs/dbraw/zinc/80/89/07/442808907.db2.gz DUWWFZCCRGXSNN-UHFFFAOYSA-N 0 0 331.416 1.548 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C[C@@H]1C ZINC000246823422 442815592 /nfs/dbraw/zinc/81/55/92/442815592.db2.gz SQLSIMVDKXUJNW-IGQOVBAYSA-N 0 0 338.398 1.982 10 0 EDAERN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188800865 442816917 /nfs/dbraw/zinc/81/69/17/442816917.db2.gz ZAUUBLVXMCMYJO-CJNGLKHVSA-N 0 0 337.464 1.892 10 0 EDAERN CC[C@@H]1CN(C(=O)c2nc3cccnc3s2)CCN1CCOC ZINC000193950226 442817435 /nfs/dbraw/zinc/81/74/35/442817435.db2.gz RIIRHECRYJGVBU-GFCCVEGCSA-N 0 0 334.445 1.874 10 0 EDAERN CN(C)c1cc(C(=O)NC[C@@H]2CN(C)CCO2)c2ccccc2n1 ZINC000182751671 442818060 /nfs/dbraw/zinc/81/80/60/442818060.db2.gz XRYPTCKLJHFKCE-CYBMUJFWSA-N 0 0 328.416 1.361 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)C[C@@H]1C ZINC000246922208 442821953 /nfs/dbraw/zinc/82/19/53/442821953.db2.gz YXCHTVZNWLFIFU-RYUDHWBXSA-N 0 0 334.445 1.665 10 0 EDAERN O=C(NC1CN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)C1)C1CCC1 ZINC000188830304 442822578 /nfs/dbraw/zinc/82/25/78/442822578.db2.gz ATBWZZOFISSUFS-HOTGVXAUSA-N 0 0 331.391 1.992 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000182779474 442823250 /nfs/dbraw/zinc/82/32/50/442823250.db2.gz NRWPLAJTIBMOFD-HOCLYGCPSA-N 0 0 333.432 1.043 10 0 EDAERN CCN(Cc1c(F)cccc1F)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188846041 442826198 /nfs/dbraw/zinc/82/61/98/442826198.db2.gz FKSOHJMCIFBFFV-IAQYHMDHSA-N 0 0 326.343 1.295 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000188889060 442835984 /nfs/dbraw/zinc/83/59/84/442835984.db2.gz OZIAVFOATFDDAX-LBPRGKRZSA-N 0 0 329.400 1.241 10 0 EDAERN C[C@H](NC(=O)CNC(=O)c1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000194061010 442839218 /nfs/dbraw/zinc/83/92/18/442839218.db2.gz PIVFGMOFAIYQAM-JQWIXIFHSA-N 0 0 342.342 1.702 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@H]1N1CCOCC1 ZINC000247255380 442844434 /nfs/dbraw/zinc/84/44/34/442844434.db2.gz ZKVMOTQIMWESFT-DBOTXTLRSA-N 0 0 336.457 1.217 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCCNC(=O)[C@H]2C)c1C ZINC000188944191 442846765 /nfs/dbraw/zinc/84/67/65/442846765.db2.gz KHKUUDQBCMTRLN-GFCCVEGCSA-N 0 0 338.429 1.058 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000189068430 442870780 /nfs/dbraw/zinc/87/07/80/442870780.db2.gz AGUPTJOHPMQIFA-IMJJTQAJSA-N 0 0 343.383 1.980 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)C1 ZINC000194157192 442854004 /nfs/dbraw/zinc/85/40/04/442854004.db2.gz OXMLGZPNEJHNOT-SNVBAGLBSA-N 0 0 341.358 1.512 10 0 EDAERN Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)c2c(n1)onc2C(C)C ZINC000194602361 442920213 /nfs/dbraw/zinc/92/02/13/442920213.db2.gz OUNYEBFXCHUTDV-LBPRGKRZSA-N 0 0 332.404 1.715 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000194602665 442920870 /nfs/dbraw/zinc/92/08/70/442920870.db2.gz AXLALUINBGOIJM-INIZCTEOSA-N 0 0 336.407 1.321 10 0 EDAERN CCc1ccc(N2C[C@H](C(=O)NC[C@@H]3CN(C)CCO3)CC2=O)cc1 ZINC000194638425 442928856 /nfs/dbraw/zinc/92/88/56/442928856.db2.gz CXIBESNEODCSGM-NVXWUHKLSA-N 0 0 345.443 1.049 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCCOCC(F)(F)F)CC1 ZINC000184835781 318539400 /nfs/dbraw/zinc/53/94/00/318539400.db2.gz MABURVBCXMGYSA-LBPRGKRZSA-N 0 0 341.374 1.054 10 0 EDAERN CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CNC(=O)C1 ZINC000194794134 442954256 /nfs/dbraw/zinc/95/42/56/442954256.db2.gz YTHMTKIEMUDKIC-MRVPVSSYSA-N 0 0 329.169 1.683 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000249137164 442955072 /nfs/dbraw/zinc/95/50/72/442955072.db2.gz DZVXKHCGCMECRY-OLZOCXBDSA-N 0 0 326.400 1.802 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCN(C[C@@H](O)CC)CC2)ccc1C ZINC000189469522 442962253 /nfs/dbraw/zinc/96/22/53/442962253.db2.gz WDRHXYSOQRXJOL-KRWDZBQOSA-N 0 0 347.459 1.411 10 0 EDAERN CO[C@@H]1CN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC[C@@H]1C ZINC000191031082 318572389 /nfs/dbraw/zinc/57/23/89/318572389.db2.gz ZZXVCVKFVCBYJR-BFHYXJOUSA-N 0 0 335.452 1.783 10 0 EDAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189479816 442964886 /nfs/dbraw/zinc/96/48/86/442964886.db2.gz YKQQOESHTAMTMW-MEDUHNTESA-N 0 0 341.411 1.632 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1)C1CC1 ZINC000189510658 442970788 /nfs/dbraw/zinc/97/07/88/442970788.db2.gz RPAQONBRZGNFEX-NEPJUHHUSA-N 0 0 338.329 1.944 10 0 EDAERN COC(=O)[C@H]1Cc2ccccc2CN1Cc1nnc(C2CC2)n1C ZINC000195013784 442976403 /nfs/dbraw/zinc/97/64/03/442976403.db2.gz WONAZLFJUPYJDY-OAHLLOKOSA-N 0 0 326.400 1.792 10 0 EDAERN CN1CCO[C@H](CNS(=O)(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000184128565 442994894 /nfs/dbraw/zinc/99/48/94/442994894.db2.gz YYLXENHWBXBRAY-LHRNQBEKSA-N 0 0 330.837 1.561 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000249841980 443007049 /nfs/dbraw/zinc/00/70/49/443007049.db2.gz NTUNZJUFGBZKEQ-CVEARBPZSA-N 0 0 346.450 1.957 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCC[C@@H]1CCCCO1)CC2 ZINC000184289788 443008948 /nfs/dbraw/zinc/00/89/48/443008948.db2.gz WQULVNWTGUKGIE-KGLIPLIRSA-N 0 0 335.452 1.804 10 0 EDAERN C[C@H](CCNC(=O)NCCCn1ccnc1)NC(=O)OC(C)(C)C ZINC000195464386 443020902 /nfs/dbraw/zinc/02/09/02/443020902.db2.gz FPEHOBYXGAPEIM-CYBMUJFWSA-N 0 0 339.440 1.876 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(CC(=O)NC(=O)NC3CCCC3)C2)no1 ZINC000195517638 443026830 /nfs/dbraw/zinc/02/68/30/443026830.db2.gz FGHYVUJTUZNJIM-ZDUSSCGKSA-N 0 0 349.435 1.401 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1nc2cccc(C)c2n1C ZINC000184504284 443030908 /nfs/dbraw/zinc/03/09/08/443030908.db2.gz BHTIYYXXKBRTSQ-INIZCTEOSA-N 0 0 344.459 1.999 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000184525311 443034086 /nfs/dbraw/zinc/03/40/86/443034086.db2.gz TXDDRIQHEPZKHS-AWEZNQCLSA-N 0 0 346.431 1.045 10 0 EDAERN CCO[C@@H]1C[C@@H](n2c(=O)[nH]c3ccccc3c2=O)C12CCOCC2 ZINC000184583025 443045017 /nfs/dbraw/zinc/04/50/17/443045017.db2.gz ZNEMRMQKTNAKOM-HUUCEWRRSA-N 0 0 330.384 1.837 10 0 EDAERN COC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)N1CCc2ccccc21 ZINC000253399919 443056164 /nfs/dbraw/zinc/05/61/64/443056164.db2.gz DLEUYFOCHBPFKN-JKSUJKDBSA-N 0 0 338.411 1.765 10 0 EDAERN CC[C@@H]1CN(C(=O)NCCOc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000184705827 443062628 /nfs/dbraw/zinc/06/26/28/443062628.db2.gz PFVBMAQTUHLRMF-HZPDHXFCSA-N 0 0 335.448 1.552 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000184736254 443069581 /nfs/dbraw/zinc/06/95/81/443069581.db2.gz ZIVFCIVIQWOACC-ZIAGYGMSSA-N 0 0 345.447 1.722 10 0 EDAERN Cc1csc2nc(CN3CCOC[C@@H]3c3nc(C)no3)cc(=O)n12 ZINC000185081791 443132986 /nfs/dbraw/zinc/13/29/86/443132986.db2.gz TVTINCJCVHHGBQ-GFCCVEGCSA-N 0 0 347.400 1.329 10 0 EDAERN [NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccc(Br)c(Br)c1 ZINC000236327560 443139434 /nfs/dbraw/zinc/13/94/34/443139434.db2.gz BSCVASUEOWMTNB-SFYZADRCSA-N 0 0 338.983 1.657 10 0 EDAERN CCSCc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)no1 ZINC000184936533 443101845 /nfs/dbraw/zinc/10/18/45/443101845.db2.gz CIYQHLRPPHIDGJ-GFCCVEGCSA-N 0 0 325.434 1.474 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(C)c(OC)c2)CC1 ZINC000184945725 443103929 /nfs/dbraw/zinc/10/39/29/443103929.db2.gz MUYYJCGQOKNYQZ-INIZCTEOSA-N 0 0 335.448 1.602 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(=O)[O-] ZINC000185056648 443127690 /nfs/dbraw/zinc/12/76/90/443127690.db2.gz JBHDIPZBFZGEFS-GOEBONIOSA-N 0 0 333.432 1.472 10 0 EDAERN CC(=O)NC1CN(C(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000190532789 443129677 /nfs/dbraw/zinc/12/96/77/443129677.db2.gz WRUGJSQHRNMSSR-UHFFFAOYSA-N 0 0 333.335 1.539 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)NCc3ccccc3)CCO2)cn1 ZINC000190729683 443172151 /nfs/dbraw/zinc/17/21/51/443172151.db2.gz ZSHCFYQPEUZXOT-KRWDZBQOSA-N 0 0 328.416 1.593 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000185268868 443173237 /nfs/dbraw/zinc/17/32/37/443173237.db2.gz QQRNVIYSSCXCAN-WDEREUQCSA-N 0 0 342.317 1.181 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2nc(-c3ccco3)sc2C)C1 ZINC000185298196 443178957 /nfs/dbraw/zinc/17/89/57/443178957.db2.gz RECVWSPEKOOIFV-UHFFFAOYSA-N 0 0 335.385 1.299 10 0 EDAERN NC(=O)c1cc(I)ncc1OC(F)(F)F ZINC000238611665 443196066 /nfs/dbraw/zinc/19/60/66/443196066.db2.gz NINVTSUYAFTFGG-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CCO2)[nH]1 ZINC000245509774 443233612 /nfs/dbraw/zinc/23/36/12/443233612.db2.gz VCZIWIRJNKBXEH-RNJOBUHISA-N 0 0 337.424 1.406 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N2CCN(CC)CC2)C12CCOCC2 ZINC000185690710 443238912 /nfs/dbraw/zinc/23/89/12/443238912.db2.gz PYHPOZBWUVHYIW-GJZGRUSLSA-N 0 0 325.453 1.308 10 0 EDAERN O=C(NC[C@H]1COc2ccccc2O1)N1CCC[C@H]1Cn1ccnc1 ZINC000332951981 318972674 /nfs/dbraw/zinc/97/26/74/318972674.db2.gz CJKYPPIRNUYHDD-GJZGRUSLSA-N 0 0 342.399 1.897 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCc3cccnc3OC)CCO2)cn1 ZINC000190934811 443211898 /nfs/dbraw/zinc/21/18/98/443211898.db2.gz HNLLMIWUARCENK-HNNXBMFYSA-N 0 0 345.403 1.590 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)C2CCCCC2)C1 ZINC000185751233 443251013 /nfs/dbraw/zinc/25/10/13/443251013.db2.gz SVDJTPWROLEKAD-UHFFFAOYSA-N 0 0 325.453 1.749 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCSCc1ccccc1F ZINC000191174560 443253018 /nfs/dbraw/zinc/25/30/18/443253018.db2.gz QQVMXUQZKHJVPW-GFCCVEGCSA-N 0 0 339.436 1.979 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000191346569 443281876 /nfs/dbraw/zinc/28/18/76/443281876.db2.gz GEKLMMVKYBXZSF-UHFFFAOYSA-N 0 0 343.305 1.077 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cc(Br)cs1 ZINC000191259037 443267989 /nfs/dbraw/zinc/26/79/89/443267989.db2.gz IKBNLUDFDIYYPP-QMMMGPOBSA-N 0 0 346.250 1.931 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCCN(C)c1ccccc1F ZINC000191270571 443269683 /nfs/dbraw/zinc/26/96/83/443269683.db2.gz MEBSVZYIIPSROL-ZDUSSCGKSA-N 0 0 336.411 1.572 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccon1)c1cccc(-n2ccnc2)c1 ZINC000186016482 443298098 /nfs/dbraw/zinc/29/80/98/443298098.db2.gz UECDOUQYTHDLIE-NSHDSACASA-N 0 0 325.328 1.676 10 0 EDAERN CCCn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)cn1 ZINC000275393281 443626563 /nfs/dbraw/zinc/62/65/63/443626563.db2.gz MWYHJTQRYHWWDO-GOEBONIOSA-N 0 0 330.388 1.957 10 0 EDAERN COc1ccc(CCC(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 ZINC000299742815 444131518 /nfs/dbraw/zinc/13/15/18/444131518.db2.gz KPYKNKMGQPHMSF-CHWSQXEVSA-N 0 0 344.333 1.750 10 0 EDAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1cscn1 ZINC000328628438 444401383 /nfs/dbraw/zinc/40/13/83/444401383.db2.gz HGNRVKWRCQKHJC-STQMWFEESA-N 0 0 335.408 1.618 10 0 EDAERN NC(=O)c1noc([C@@H]2CCCN2c2ncc(Br)cn2)n1 ZINC000328629890 444402275 /nfs/dbraw/zinc/40/22/75/444402275.db2.gz PGXDDANJPATREP-ZETCQYMHSA-N 0 0 339.153 1.063 10 0 EDAERN O=C(NCc1cc(Cl)ccc1Br)[C@H]1COCCN1 ZINC000583205178 326026181 /nfs/dbraw/zinc/02/61/81/326026181.db2.gz KACDZVISXGNREJ-LLVKDONJSA-N 0 0 333.613 1.707 10 0 EDAERN CCn1ccnc1C(=O)N1C[C@@H](C)O[C@@H](c2nc(C3CC3)no2)C1 ZINC000623173477 450433871 /nfs/dbraw/zinc/43/38/71/450433871.db2.gz IOZJZAGMLGVNCH-ZYHUDNBSSA-N 0 0 331.376 1.766 10 0 EDAERN C[C@H]1CC[C@H](O)CN1C(=O)CNC(=O)c1ccc(Br)o1 ZINC000399166711 447562992 /nfs/dbraw/zinc/56/29/92/447562992.db2.gz DPBPXRDVDGXQPH-IUCAKERBSA-N 0 0 345.193 1.144 10 0 EDAERN CSc1c(C)cc(S(N)(=O)=O)cc1I ZINC000575708559 447882862 /nfs/dbraw/zinc/88/28/62/447882862.db2.gz IHWKARACNPVITF-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN CC(C)NC(=O)[C@H](O)COc1ccc(COCCOC(C)C)cc1 ZINC000575625052 447876678 /nfs/dbraw/zinc/87/66/78/447876678.db2.gz VZIIUVIQPUKXLY-QGZVFWFLSA-N 0 0 339.432 1.893 10 0 EDAERN Cc1cnn(-c2ccc(C(=O)N3CC[C@@](O)(c4cn[nH]n4)C3)cc2)c1 ZINC000583618417 448446057 /nfs/dbraw/zinc/44/60/57/448446057.db2.gz UUQBSDYZPYAKAB-KRWDZBQOSA-N 0 0 338.371 1.033 10 0 EDAERN CC(=O)N1C[C@H](NC(=O)CCc2cnn(C)c2)CC[C@H]1C(F)(F)F ZINC000583618399 448446911 /nfs/dbraw/zinc/44/69/11/448446911.db2.gz TWSVSYVKKXGISI-OLZOCXBDSA-N 0 0 346.353 1.411 10 0 EDAERN CCOC1(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)CCCC1 ZINC000583618770 448448852 /nfs/dbraw/zinc/44/88/52/448448852.db2.gz FXBIMWPHQOQLCI-MRXNPFEDSA-N 0 0 336.436 1.628 10 0 EDAERN CN1C(=O)C[C@@H](NCc2noc(C(C)(C)C)n2)[C@@H]1c1cccnc1 ZINC000583620196 448451108 /nfs/dbraw/zinc/45/11/08/448451108.db2.gz UISVDVUZEWKRBD-DOMZBBRYSA-N 0 0 329.404 1.824 10 0 EDAERN Cn1ncc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1C1CC1 ZINC000583621007 448451619 /nfs/dbraw/zinc/45/16/19/448451619.db2.gz HVKJUELYWMCBQK-PBHICJAKSA-N 0 0 339.399 1.394 10 0 EDAERN CCn1nc(C)c(CC(=O)N2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)c1C ZINC000619281817 450445244 /nfs/dbraw/zinc/44/52/44/450445244.db2.gz LOALHGFIVDGJOI-MEBBXXQBSA-N 0 0 347.419 1.742 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2cnnc3ccccc32)Cc2ccccc21 ZINC000616671078 450458917 /nfs/dbraw/zinc/45/89/17/450458917.db2.gz XSVQHAAYZDQVFE-CYBMUJFWSA-N 0 0 340.408 1.980 10 0 EDAERN CCOC(=O)c1cccc([C@@H]2CCN(S(C)(=O)=O)CCO2)c1 ZINC000616666780 450458984 /nfs/dbraw/zinc/45/89/84/450458984.db2.gz VZNLPIYNZHQRRU-AWEZNQCLSA-N 0 0 327.402 1.586 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2cc(O)cc(Br)c2)C1 ZINC000625677706 450474247 /nfs/dbraw/zinc/47/42/47/450474247.db2.gz PNTKNPAVSKIVQO-ZDUSSCGKSA-N 0 0 343.221 1.605 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(Cn2cccn2)cc1 ZINC000616768803 450479652 /nfs/dbraw/zinc/47/96/52/450479652.db2.gz OBHPHFLFXZTYJR-GVDBMIGSSA-N 0 0 337.383 1.232 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1cc(Br)cn1C ZINC000633929352 451113648 /nfs/dbraw/zinc/11/36/48/451113648.db2.gz KDKPCICGWBBANW-LLVKDONJSA-N 0 0 330.226 1.190 10 0 EDAERN O=C([O-])[C@H]1CC[C@@H](C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)C[NH2+]1 ZINC000630697361 451345692 /nfs/dbraw/zinc/34/56/92/451345692.db2.gz MMGJECIOJQFSGR-GDBMZVCRSA-N 0 0 342.399 1.391 10 0 EDAERN COc1ccc(Br)cc1C(=O)N[C@H]1CCOC[C@@H]1O ZINC000629238828 451612822 /nfs/dbraw/zinc/61/28/22/451612822.db2.gz VZBIJGKWPPCGCC-QWRGUYRKSA-N 0 0 330.178 1.337 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCc2cccc(Cl)c2C1 ZINC000644498973 451814028 /nfs/dbraw/zinc/81/40/28/451814028.db2.gz PPQLGJFNIOMEES-HNNXBMFYSA-N 0 0 336.819 1.598 10 0 EDAERN CN(C)S(=O)(=O)c1ccccc1N1CCC[C@H](n2cncn2)C1 ZINC000663566426 452285931 /nfs/dbraw/zinc/28/59/31/452285931.db2.gz JGEYQDYFOCMDGR-ZDUSSCGKSA-N 0 0 335.433 1.370 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N(CCO)Cc1ccccc1 ZINC000666188834 452671121 /nfs/dbraw/zinc/67/11/21/452671121.db2.gz NXPPGXQXVCXYCA-IAGOWNOFSA-N 0 0 343.427 1.909 10 0 EDAERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(-n2cccc2)ccn1 ZINC000643947069 452850590 /nfs/dbraw/zinc/85/05/90/452850590.db2.gz QWJAZOULUCYQGM-GOSISDBHSA-N 0 0 342.399 1.240 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000644117516 453054162 /nfs/dbraw/zinc/05/41/62/453054162.db2.gz COZVDZFLBQSWIO-CABCVRRESA-N 0 0 327.384 1.876 10 0 EDAERN CCN(CC)c1ccc(NC(=O)CN2CCCC[C@@H](O)C2=O)cn1 ZINC000644312046 453286293 /nfs/dbraw/zinc/28/62/93/453286293.db2.gz MGXFSTBHUQOUOF-CQSZACIVSA-N 0 0 334.420 1.240 10 0 EDAERN COc1nc(C)ccc1C(=O)NC[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000665651679 453781363 /nfs/dbraw/zinc/78/13/63/453781363.db2.gz LKOWBZXFKSVYRF-SWLSCSKDSA-N 0 0 330.388 1.640 10 0 EDAERN CC(=O)N1CCc2cc(S(=O)(=O)NCC[C@H]3CCCO3)ccc21 ZINC000074850672 486805103 /nfs/dbraw/zinc/80/51/03/486805103.db2.gz VFDUNBBEMXLYEJ-CQSZACIVSA-N 0 0 338.429 1.443 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCn2c(nnc2C2CC2)C1 ZINC000667615457 486880994 /nfs/dbraw/zinc/88/09/94/486880994.db2.gz QGMRIHWEGIFOGL-GOEBONIOSA-N 0 0 342.447 1.873 10 0 EDAERN C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000246709027 485987624 /nfs/dbraw/zinc/98/76/24/485987624.db2.gz JMTWDFCQLRNEEQ-YUELXQCFSA-N 0 0 325.430 1.704 10 0 EDAERN CN1C(=O)C[C@@H](NC(=O)Cc2ccc(F)cc2F)[C@@H]1c1cccnc1 ZINC000583619584 486278524 /nfs/dbraw/zinc/27/85/24/486278524.db2.gz XJZZZTBAZBHURO-QAPCUYQASA-N 0 0 345.349 1.991 10 0 EDAERN Cc1cccc2c(CC(=O)N3CC[C@@](O)(Cn4ccnn4)C3)c[nH]c21 ZINC000671502145 486629491 /nfs/dbraw/zinc/62/94/91/486629491.db2.gz AVGVKEFBRQRMHQ-SFHVURJKSA-N 0 0 339.399 1.274 10 0 EDAERN O=C(c1ccc(F)cc1)N1CCN(c2cnn3cnnc3c2)CC1 ZINC000065282193 490997274 /nfs/dbraw/zinc/99/72/74/490997274.db2.gz UICYOVFQLFICIB-UHFFFAOYSA-N 0 0 326.335 1.226 10 0 EDAERN C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@@H]1N1CCOCC1 ZINC000173850730 533838962 /nfs/dbraw/zinc/83/89/62/533838962.db2.gz MHBMVNBBJWZXAL-ZFWWWQNUSA-N 0 0 332.400 1.137 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(Cl)c1)N1CCOCC1 ZINC000155214136 533879857 /nfs/dbraw/zinc/87/98/57/533879857.db2.gz ZOWKYGJYQZBZKH-JTQLQIEISA-N 0 0 343.786 1.255 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000183751012 533961233 /nfs/dbraw/zinc/96/12/33/533961233.db2.gz DBDYQBZCKXVLEW-CYBMUJFWSA-N 0 0 329.356 1.002 10 0 EDAERN COc1ccccc1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175019513 533976193 /nfs/dbraw/zinc/97/61/93/533976193.db2.gz NPELCCLODJHJQB-AWEZNQCLSA-N 0 0 342.399 1.663 10 0 EDAERN COc1ccc(N)c([S@@](=O)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000166260373 533986771 /nfs/dbraw/zinc/98/67/71/533986771.db2.gz QKIFQZZMGONQPM-XAAFQQQXSA-N 0 0 331.459 1.741 10 0 EDAERN COc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173688417 534019136 /nfs/dbraw/zinc/01/91/36/534019136.db2.gz HEVLEQOKGBGHNP-LBPRGKRZSA-N 0 0 347.350 1.228 10 0 EDAERN Cc1cc(S(N)(=O)=O)cc(Cl)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000155630139 534038373 /nfs/dbraw/zinc/03/83/73/534038373.db2.gz HXBSCFLDJMVVFS-LDYMZIIASA-N 0 0 332.809 1.802 10 0 EDAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1ccc(F)cc1 ZINC000187329269 534087149 /nfs/dbraw/zinc/08/71/49/534087149.db2.gz JUUQVBWJMZMYMQ-LLVKDONJSA-N 0 0 335.379 1.513 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 ZINC000152026113 534106533 /nfs/dbraw/zinc/10/65/33/534106533.db2.gz JGKVQPQRHKSNHU-GWCFXTLKSA-N 0 0 348.790 1.961 10 0 EDAERN COC(=O)c1cccc(CCNC(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000130937061 534261503 /nfs/dbraw/zinc/26/15/03/534261503.db2.gz LEJMRMMCVNDQER-HOTGVXAUSA-N 0 0 334.416 1.866 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)CCc3ccc(O)cc3)CC2)n1 ZINC000183745693 534435166 /nfs/dbraw/zinc/43/51/66/534435166.db2.gz PVMLBWACFCRJAV-CYBMUJFWSA-N 0 0 344.415 1.922 10 0 EDAERN O=C(Nc1ccon1)C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000134596866 534435582 /nfs/dbraw/zinc/43/55/82/534435582.db2.gz NCNOFCGUBBOPDA-BXKDBHETSA-N 0 0 337.282 1.226 10 0 EDAERN O=C(CN1C(=O)CSc2ccccc21)N[C@@H]1CCCn2ncnc21 ZINC000177536785 534512209 /nfs/dbraw/zinc/51/22/09/534512209.db2.gz STMWYRTUGNHDLJ-LLVKDONJSA-N 0 0 343.412 1.368 10 0 EDAERN O=C(NC[C@H](CCO)c1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000177349696 534616959 /nfs/dbraw/zinc/61/69/59/534616959.db2.gz HKKRSKBLHLBEDQ-GJZGRUSLSA-N 0 0 329.404 1.578 10 0 EDAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCC[C@H](n2cncn2)C1 ZINC000171664542 534723986 /nfs/dbraw/zinc/72/39/86/534723986.db2.gz PBWAGYOAJOQJKV-LBPRGKRZSA-N 0 0 327.344 1.086 10 0 EDAERN CC(=O)N1CC(C)(C)Oc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000071447533 534755474 /nfs/dbraw/zinc/75/54/74/534755474.db2.gz FGDQNPHJRKTTDN-UHFFFAOYSA-N 0 0 338.429 1.995 10 0 EDAERN Cn1ncc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(Cl)c1=O ZINC000186154905 534832575 /nfs/dbraw/zinc/83/25/75/534832575.db2.gz UJMWFUJHDHKUIK-QWRGUYRKSA-N 0 0 325.821 1.708 10 0 EDAERN Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCCn2ncnc21 ZINC000177566762 534867349 /nfs/dbraw/zinc/86/73/49/534867349.db2.gz CCGFTSCPFZUJGU-JTQLQIEISA-N 0 0 341.400 1.765 10 0 EDAERN Cc1nc(CC(C)C)c(C(=O)NC[C@H](O)CN2CCOCC2)s1 ZINC000133002812 534887734 /nfs/dbraw/zinc/88/77/34/534887734.db2.gz PWTQAFZPKUZEEU-ZDUSSCGKSA-N 0 0 341.477 1.073 10 0 EDAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246932485 534896793 /nfs/dbraw/zinc/89/67/93/534896793.db2.gz ZMCPUTQLHBDGGL-IJEWVQPXSA-N 0 0 348.443 1.570 10 0 EDAERN CC(C)(C)N1C[C@@H](NC(=O)N2CCC(Cn3cccn3)CC2)CC1=O ZINC000174903050 526292605 /nfs/dbraw/zinc/29/26/05/526292605.db2.gz PPUVLDFEPMKXAJ-HNNXBMFYSA-N 0 0 347.463 1.704 10 0 EDAERN O=C(NCCN1CCOCC1)c1cnc(Nc2ccccc2)nc1 ZINC000092028404 526320872 /nfs/dbraw/zinc/32/08/72/526320872.db2.gz LKTXJFKTSJXAJF-UHFFFAOYSA-N 0 0 327.388 1.282 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(Br)c(F)c2)C1 ZINC000110483791 536436171 /nfs/dbraw/zinc/43/61/71/536436171.db2.gz LVJHNLGYXSVSKH-JTQLQIEISA-N 0 0 331.185 1.649 10 0 EDAERN CC(=O)c1ccccc1OCCN1CCO[C@@H](Cn2cccn2)C1 ZINC000171633988 527403578 /nfs/dbraw/zinc/40/35/78/527403578.db2.gz RQFVTEANSXEPFP-MRXNPFEDSA-N 0 0 329.400 1.866 10 0 EDAERN C/C(=C/c1cccc(Cl)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132569428 527500266 /nfs/dbraw/zinc/50/02/66/527500266.db2.gz XVERUVUQODGMIS-RCBBPTIPSA-N 0 0 338.835 1.553 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCn1nc(C)cc1C ZINC000173335934 528062323 /nfs/dbraw/zinc/06/23/23/528062323.db2.gz JJFYBJFGCUPKFD-MRXNPFEDSA-N 0 0 349.479 1.932 10 0 EDAERN CC(C)C[NH2+]C[C@@H]1CCCN(c2nc[n-]c(=O)c2Br)C1 ZINC000165377584 528064504 /nfs/dbraw/zinc/06/45/04/528064504.db2.gz BNWSTOLXBQQZFZ-NSHDSACASA-N 0 0 343.269 1.994 10 0 EDAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000131774360 528146368 /nfs/dbraw/zinc/14/63/68/528146368.db2.gz HHSWOZSNTKTANC-CVEARBPZSA-N 0 0 343.427 1.972 10 0 EDAERN CCNC(=O)[C@@H]1COCCN1Cc1c(N)cccc1Br ZINC000159341466 528216345 /nfs/dbraw/zinc/21/63/45/528216345.db2.gz JZRBDBSEDDPTNT-ZDUSSCGKSA-N 0 0 342.237 1.368 10 0 EDAERN CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(Br)cc1N ZINC000165763444 528222454 /nfs/dbraw/zinc/22/24/54/528222454.db2.gz XVGUHBNYBWRODL-ZETCQYMHSA-N 0 0 335.223 1.330 10 0 EDAERN CC(C)c1nc(C2(NC[C@H](O)CN3CCOCC3)CCCC2)no1 ZINC000174241630 528267061 /nfs/dbraw/zinc/26/70/61/528267061.db2.gz XIOWLWLYJGZUKP-AWEZNQCLSA-N 0 0 338.452 1.245 10 0 EDAERN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130730778 528302527 /nfs/dbraw/zinc/30/25/27/528302527.db2.gz RNSODLUNQMUSMU-WCQYABFASA-N 0 0 338.379 1.830 10 0 EDAERN CCNc1ncc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000129028554 528447983 /nfs/dbraw/zinc/44/79/83/528447983.db2.gz VYGADLORGNAHKC-LLVKDONJSA-N 0 0 332.433 1.764 10 0 EDAERN CCN(CCCO)c1cc2c(cc1Br)C(=O)C(=O)N2 ZINC000165201668 528470352 /nfs/dbraw/zinc/47/03/52/528470352.db2.gz MMSYOXWOKBQEFM-UHFFFAOYSA-N 0 0 327.178 1.793 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCCn1c(C)nc2ccccc21 ZINC000184194620 528482739 /nfs/dbraw/zinc/48/27/39/528482739.db2.gz QZMLMTJMRCRNRY-SFHVURJKSA-N 0 0 344.459 1.962 10 0 EDAERN CCCc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173997683 528626203 /nfs/dbraw/zinc/62/62/03/528626203.db2.gz SVKXCVRCSXNGFT-MRXNPFEDSA-N 0 0 338.473 1.734 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CCC(=O)Nc1ccccc1F ZINC000176564425 528703989 /nfs/dbraw/zinc/70/39/89/528703989.db2.gz UFLGUCRSRANHAG-HSZRJFAPSA-N 0 0 339.396 1.671 10 0 EDAERN CC(C)[N@H+](C)CCNc1nc[n-]c(=O)c1I ZINC000165248493 528824616 /nfs/dbraw/zinc/82/46/16/528824616.db2.gz NVBDDAICXKIJIW-UHFFFAOYSA-N 0 0 336.177 1.127 10 0 EDAERN CC(C)N1C(=O)NC2(CCN(C(=O)Cc3ccccc3F)CC2)C1=O ZINC000169852535 528979048 /nfs/dbraw/zinc/97/90/48/528979048.db2.gz FHSSTHNYLQUGEB-UHFFFAOYSA-N 0 0 347.390 1.690 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(N)cc(S(C)(=O)=O)c2)CCS1 ZINC000157196459 529280903 /nfs/dbraw/zinc/28/09/03/529280903.db2.gz KAIFSRIOSUKEAA-LBPRGKRZSA-N 0 0 328.459 1.640 10 0 EDAERN CC[C@H]1NC(=O)[C@@H](CC)N(Cc2cncc(Br)c2)C1=O ZINC000168888770 529330962 /nfs/dbraw/zinc/33/09/62/529330962.db2.gz WHQOGQNGRAZKIC-VXGBXAGGSA-N 0 0 340.221 1.860 10 0 EDAERN CC[C@H]1NC(=O)[C@@H](CC)N(Cc2ccc(Br)cn2)C1=O ZINC000168889133 529331031 /nfs/dbraw/zinc/33/10/31/529331031.db2.gz IIBJKJJOMHSZTN-VXGBXAGGSA-N 0 0 340.221 1.860 10 0 EDAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C[C@@H]1CCCCNC1=O)CC2 ZINC000328776233 535421447 /nfs/dbraw/zinc/42/14/47/535421447.db2.gz KZWGNZKERXZDBN-RRFJBIMHSA-N 0 0 338.448 1.912 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)Cc2c(C)nn(C)c2C)C12CCOCC2 ZINC000187101516 535466342 /nfs/dbraw/zinc/46/63/42/535466342.db2.gz DPMFOHPSOJOYDQ-JKSUJKDBSA-N 0 0 335.448 1.670 10 0 EDAERN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C3CC3)n2C(C)C)C1 ZINC000333043971 535498919 /nfs/dbraw/zinc/49/89/19/535498919.db2.gz AXUNEKMGGZZIGK-LBPRGKRZSA-N 0 0 327.454 1.254 10 0 EDAERN CCOCCN1CCN(C(=O)C[C@H]2c3ccccc3NC2=O)C[C@@H]1C ZINC000247010139 535593049 /nfs/dbraw/zinc/59/30/49/535593049.db2.gz HCYHDINWBOTRKR-HOCLYGCPSA-N 0 0 345.443 1.682 10 0 EDAERN CC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)CCO1 ZINC000248545653 535862089 /nfs/dbraw/zinc/86/20/89/535862089.db2.gz JDGGEBYIANUBME-RRFJBIMHSA-N 0 0 347.463 1.809 10 0 EDAERN CN[C@H](C(=O)NC[C@@H](O)c1c(F)cccc1Cl)c1cnn(C)c1 ZINC000262490923 536383254 /nfs/dbraw/zinc/38/32/54/536383254.db2.gz HRBYFYDXPPAEHO-OCCSQVGLSA-N 0 0 340.786 1.323 10 0 EDAERN CN[C@H](C(=O)NCc1csc(-c2ccco2)n1)c1cnn(C)c1 ZINC000262494314 536384171 /nfs/dbraw/zinc/38/41/71/536384171.db2.gz HYMZEAINPOLUSS-ZDUSSCGKSA-N 0 0 331.401 1.714 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)C1 ZINC000246407314 536435158 /nfs/dbraw/zinc/43/51/58/536435158.db2.gz KNKGZNXFFQMUPU-IRXDYDNUSA-N 0 0 335.423 1.873 10 0 EDAERN COCCCS(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248343228 536640256 /nfs/dbraw/zinc/64/02/56/536640256.db2.gz KATZPPDFPGZAKL-HZPDHXFCSA-N 0 0 327.446 1.941 10 0 EDAERN CO[C@@H]1CN(S(=O)(=O)c2cnc3ccc(F)cc3c2)C[C@@H]1OC ZINC000329205571 536738119 /nfs/dbraw/zinc/73/81/19/536738119.db2.gz DKWOZGKRZKMPBB-GASCZTMLSA-N 0 0 340.376 1.408 10 0 EDAERN O=C([O-])c1cc(S(=O)(=O)NCCC[NH2+]C2CC2)ccc1Cl ZINC000048839084 537708079 /nfs/dbraw/zinc/70/80/79/537708079.db2.gz XONFJPNNSWISTC-UHFFFAOYSA-N 0 0 332.809 1.459 10 0 EDAERN OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000000967920 560180105 /nfs/dbraw/zinc/18/01/05/560180105.db2.gz CMGCKUPKNSSPER-UHFFFAOYSA-N 0 0 339.186 1.764 10 0 in-vitro EDAERN Cn1c2[nH]c(N[C@H]3CCCc4cc(F)ccc43)nc2c(=O)n(C)c1=O ZINC000893064858 590644410 /nfs/dbraw/zinc/64/44/10/590644410.db2.gz WTUJXIIKJHZTAF-LBPRGKRZSA-N 0 0 343.362 1.589 10 0 EDAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)N2CCC=C(F)C2)CCC(=O)N1C1CC1 ZINC000888076051 590929800 /nfs/dbraw/zinc/92/98/00/590929800.db2.gz SLJLIWWRQKOGFO-HOCLYGCPSA-N 0 0 346.406 1.948 10 0 EDAERN CO[C@H]1CCCCN(CC(=O)Nc2nc3ccc(F)cc3n2C)C1=O ZINC000888076439 590931028 /nfs/dbraw/zinc/93/10/28/590931028.db2.gz KPODJCXQTWEFLV-AWEZNQCLSA-N 0 0 348.378 1.678 10 0 EDAERN Cc1noc(C[C@@]2(O)CCCN(Cc3cn4ccccc4n3)C2)n1 ZINC000888077162 590932215 /nfs/dbraw/zinc/93/22/15/590932215.db2.gz PHRXFYZGZPATFN-KRWDZBQOSA-N 0 0 327.388 1.595 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000888077754 590934047 /nfs/dbraw/zinc/93/40/47/590934047.db2.gz SGVGJJICLNYGOM-GDBMZVCRSA-N 0 0 346.406 1.969 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)NCCc2ccccc2C)C1 ZINC000888077868 590934180 /nfs/dbraw/zinc/93/41/80/590934180.db2.gz ZVXZMMGZGLPNIM-IAGOWNOFSA-N 0 0 342.443 1.839 10 0 EDAERN Cc1nonc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000888093118 591023106 /nfs/dbraw/zinc/02/31/06/591023106.db2.gz WADAUEZMCCTWAO-SJKOYZFVSA-N 0 0 343.387 1.907 10 0 EDAERN CCc1ccc(C(=O)NC[C@H]2C[C@H](c3n[nH]c(C)n3)C[C@H]2O)cc1 ZINC000888098190 591027271 /nfs/dbraw/zinc/02/72/71/591027271.db2.gz GFKLDNHKUWVVPB-ARFHVFGLSA-N 0 0 328.416 1.960 10 0 EDAERN CCn1cnnc1[C@H]1CN(Cc2nc(Br)c[nH]2)CCO1 ZINC000893751777 591075235 /nfs/dbraw/zinc/07/52/35/591075235.db2.gz FGNASZBRKQDMGZ-SECBINFHSA-N 0 0 341.213 1.357 10 0 EDAERN CC(C)(C)N1C[C@@H](C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899075084 591673402 /nfs/dbraw/zinc/67/34/02/591673402.db2.gz UQMYONRPISBPFJ-KBPBESRZSA-N 0 0 345.447 1.576 10 0 EDAERN Cc1nnc2n1C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)NC2 ZINC000818046845 593660829 /nfs/dbraw/zinc/66/08/29/593660829.db2.gz DAKOBZNUUBVVOH-CYBMUJFWSA-N 0 0 337.786 1.509 10 0 EDAERN CNC(=O)c1nc(C2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)n[nH]1 ZINC000818479729 593699689 /nfs/dbraw/zinc/69/96/89/593699689.db2.gz DECMGAUKCHYGFK-GFCCVEGCSA-N 0 0 333.436 1.697 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000101538875 595166386 /nfs/dbraw/zinc/16/63/86/595166386.db2.gz IEQQURWECXCJJK-SUMWQHHRSA-N 0 0 336.436 1.045 10 0 EDAERN Cc1ncsc1COC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000121570365 595504312 /nfs/dbraw/zinc/50/43/12/595504312.db2.gz WRTIGYJDYQGCED-SWLSCSKDSA-N 0 0 348.428 1.838 10 0 EDAERN O=C(OCCOc1ccccc1Br)[C@@H]1CNC(=O)C1 ZINC000115922758 595723984 /nfs/dbraw/zinc/72/39/84/595723984.db2.gz XTXJFKCKXFXMRR-VIFPVBQESA-N 0 0 328.162 1.507 10 0 EDAERN CN1C(=S)N=NC1CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000109055587 595727221 /nfs/dbraw/zinc/72/72/21/595727221.db2.gz BCCMIBUWFUQLKD-HIFRSBDPSA-N 0 0 346.456 1.930 10 0 EDAERN CCCCOC(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000119203699 596478211 /nfs/dbraw/zinc/47/82/11/596478211.db2.gz LPDQHIVUNMLLJP-MRXNPFEDSA-N 0 0 336.480 1.886 10 0 EDAERN CC[C@H]1CC(=O)N(CN2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000119341504 596520456 /nfs/dbraw/zinc/52/04/56/596520456.db2.gz DCKBBJFGDDZRAL-FUHWJXTLSA-N 0 0 331.460 1.554 10 0 EDAERN CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000125358543 597358986 /nfs/dbraw/zinc/35/89/86/597358986.db2.gz BTRQAHXSOWFUPW-HNNXBMFYSA-N 0 0 337.445 1.285 10 0 EDAERN O=C(C1=CCCCO1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000174958290 697647536 /nfs/dbraw/zinc/64/75/36/697647536.db2.gz GNOLBPZRGFHPNK-INIZCTEOSA-N 0 0 346.427 1.265 10 0 EDAERN CC(C)N(C)C(=O)[C@@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175188647 697686488 /nfs/dbraw/zinc/68/64/88/697686488.db2.gz OTAHDJRXZORCOC-AEFFLSMTSA-N 0 0 333.476 1.593 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2CCC(CO)CC2)C1 ZINC000181080313 699114622 /nfs/dbraw/zinc/11/46/22/699114622.db2.gz SMURNBBBTFDPFC-MOKVOYLWSA-N 0 0 326.437 1.911 10 0 EDAERN CCOCCONC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000186020702 701157209 /nfs/dbraw/zinc/15/72/09/701157209.db2.gz WXPYYDWJLKYKTR-RISCZKNCSA-N 0 0 330.331 1.750 10 0 EDAERN CCOCCONC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000186020682 701157405 /nfs/dbraw/zinc/15/74/05/701157405.db2.gz WXPYYDWJLKYKTR-SMDDNHRTSA-N 0 0 330.331 1.750 10 0 EDAERN COc1ccc(C(=O)[N-]C(=O)C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000183650274 702244663 /nfs/dbraw/zinc/24/46/63/702244663.db2.gz ZHBJIYIIQDZJLQ-INIZCTEOSA-N 0 0 328.368 1.275 10 0 EDAERN CNC(=O)[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1)C(C)C ZINC000178684703 290603213 /nfs/dbraw/zinc/60/32/13/290603213.db2.gz AHQCNFABMCOBAU-NVXWUHKLSA-N 0 0 333.432 1.449 10 0 EDAERN COC(=O)CCN(C)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000050087310 214045056 /nfs/dbraw/zinc/04/50/56/214045056.db2.gz YVKSECDPUCNIPT-UHFFFAOYSA-N 0 0 325.308 1.979 10 0 EDAERN CO[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(C(N)=S)cc1 ZINC000050375055 214054290 /nfs/dbraw/zinc/05/42/90/214054290.db2.gz OEUIGXXFXICVMZ-OLZOCXBDSA-N 0 0 328.459 1.308 10 0 EDAERN CCCC(C)(C)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000125583708 222581606 /nfs/dbraw/zinc/58/16/06/222581606.db2.gz KHNUXOSHTMNFSY-LLVKDONJSA-N 0 0 337.445 1.809 10 0 EDAERN CCCN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000050651629 214063914 /nfs/dbraw/zinc/06/39/14/214063914.db2.gz NALVZASALIJSRZ-UHFFFAOYSA-N 0 0 334.463 1.552 10 0 EDAERN CNc1ncc(Br)cc1C(=O)NCCOCCOC ZINC000050776009 214069353 /nfs/dbraw/zinc/06/93/53/214069353.db2.gz WLAJPSDXYZIMCE-UHFFFAOYSA-N 0 0 332.198 1.279 10 0 EDAERN CCCC[C@@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000050890710 214071853 /nfs/dbraw/zinc/07/18/53/214071853.db2.gz GXQRDXUKHFGGHK-SECBINFHSA-N 0 0 338.426 1.330 10 0 EDAERN CN(Cc1cccc(Br)c1)C(=O)c1ccc(NN)nn1 ZINC000051118478 214079093 /nfs/dbraw/zinc/07/90/93/214079093.db2.gz FUHQXNXWSNFCFG-UHFFFAOYSA-N 0 0 336.193 1.797 10 0 EDAERN O=S(=O)(NCCCOc1ccccc1)c1cnc(Cl)nc1 ZINC000052092394 214116426 /nfs/dbraw/zinc/11/64/26/214116426.db2.gz QWXKYBUBONFWPJ-UHFFFAOYSA-N 0 0 327.793 1.877 10 0 EDAERN CCOCc1ccc(CNC(=O)CN2CCCC[C@H]2C(=O)OC)cc1 ZINC000052307500 214125854 /nfs/dbraw/zinc/12/58/54/214125854.db2.gz UCNDHRPXJJJFIH-KRWDZBQOSA-N 0 0 348.443 1.867 10 0 EDAERN CN(C(=O)CNc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000053995153 214210267 /nfs/dbraw/zinc/21/02/67/214210267.db2.gz LRLGHVVSQXQEDA-AWEZNQCLSA-N 0 0 332.425 1.897 10 0 EDAERN Nc1nonc1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000054420699 214237611 /nfs/dbraw/zinc/23/76/11/214237611.db2.gz FTKLBTMJSLEWPF-UHFFFAOYSA-N 0 0 341.121 1.438 10 0 EDAERN COCc1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)no1 ZINC000173093200 230877078 /nfs/dbraw/zinc/87/70/78/230877078.db2.gz ABCJEEWINWKNQR-KRWDZBQOSA-N 0 0 345.399 1.312 10 0 EDAERN Cc1nc(N)sc1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000055176008 214284065 /nfs/dbraw/zinc/28/40/65/214284065.db2.gz FRKIEZBZXDXCNY-UHFFFAOYSA-N 0 0 325.415 1.367 10 0 EDAERN CC[C@]1(C)C(=O)N[C@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168879913 529391924 /nfs/dbraw/zinc/39/19/24/529391924.db2.gz IWCNYTDVFOZLEJ-YMTOWFKASA-N 0 0 340.221 1.860 10 0 EDAERN O=C(Nc1cc(F)ccc1F)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173697852 231009529 /nfs/dbraw/zinc/00/95/29/231009529.db2.gz YHTWCAFTXDPLLY-NSHDSACASA-N 0 0 335.314 1.359 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000055334151 214308644 /nfs/dbraw/zinc/30/86/44/214308644.db2.gz GPPOTHGPSCBVOA-SNVBAGLBSA-N 0 0 330.344 1.205 10 0 EDAERN CC[C@]1(C)NC(=O)[C@@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168895058 529415942 /nfs/dbraw/zinc/41/59/42/529415942.db2.gz SOHUPDQKNHJQLQ-OTYXRUKQSA-N 0 0 340.221 1.860 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2C)n(C)n1 ZINC000177974282 529538405 /nfs/dbraw/zinc/53/84/05/529538405.db2.gz YCRYUEUKPPYJPQ-AWEZNQCLSA-N 0 0 344.419 1.117 10 0 EDAERN CN(C(=O)c1ccc(NC=O)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000175006528 231365050 /nfs/dbraw/zinc/36/50/50/231365050.db2.gz BXBGKBVYSRFUCY-INIZCTEOSA-N 0 0 339.399 1.786 10 0 EDAERN CCc1cccc2c(CC(=O)NC[C@@H](O)CN3CCOCC3)c[nH]c21 ZINC000132854414 529550539 /nfs/dbraw/zinc/55/05/39/529550539.db2.gz VVPMVJLQLFRBFG-MRXNPFEDSA-N 0 0 345.443 1.082 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000187064695 529605956 /nfs/dbraw/zinc/60/59/56/529605956.db2.gz KELSYEZPEDFTJZ-CQSZACIVSA-N 0 0 326.462 1.590 10 0 EDAERN O=S(=O)(NCCc1nn2cnnc2s1)c1ccc2c(c1)CCC2 ZINC000049722364 214028874 /nfs/dbraw/zinc/02/88/74/214028874.db2.gz YVTYIKCZVVAYQN-UHFFFAOYSA-N 0 0 349.441 1.196 10 0 EDAERN COc1cccc(OC)c1C(=O)NCc1nn2c(C)nnc2s1 ZINC000049721799 214028741 /nfs/dbraw/zinc/02/87/41/214028741.db2.gz KTLJCOZHGUAMMJ-UHFFFAOYSA-N 0 0 333.373 1.441 10 0 EDAERN Cc1ccc(OCC(=O)N2CCNC(=O)C2)c(Br)c1 ZINC000058401523 214573231 /nfs/dbraw/zinc/57/32/31/214573231.db2.gz YHJSWBZRPWLQPI-UHFFFAOYSA-N 0 0 327.178 1.095 10 0 EDAERN COc1ccc(-c2nnc(C(=O)N3CCC4(CC3)OCCO4)o2)cc1 ZINC000049685211 214026730 /nfs/dbraw/zinc/02/67/30/214026730.db2.gz PJQFIOCYIQUFFP-UHFFFAOYSA-N 0 0 345.355 1.724 10 0 EDAERN COc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(C)(=O)=O)cc1Cl ZINC000049676812 214026866 /nfs/dbraw/zinc/02/68/66/214026866.db2.gz IKRKHDNQGWUBAB-JTQLQIEISA-N 0 0 346.792 1.238 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccnc1Cl ZINC000179851738 282215620 /nfs/dbraw/zinc/21/56/20/282215620.db2.gz WFRZISGJIXMGSW-GFCCVEGCSA-N 0 0 347.806 1.870 10 0 EDAERN CC[C@H]1CCCCN1C(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000049683000 214025992 /nfs/dbraw/zinc/02/59/92/214025992.db2.gz QNVFQORGXNFODY-KBPBESRZSA-N 0 0 339.461 1.956 10 0 EDAERN CCOC(=O)CNC(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000059290592 214615464 /nfs/dbraw/zinc/61/54/64/214615464.db2.gz BITDZTHYXDUXIW-UHFFFAOYSA-N 0 0 328.752 1.600 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000176104113 231574559 /nfs/dbraw/zinc/57/45/59/231574559.db2.gz JALAPBCFIDZPRT-HZPDHXFCSA-N 0 0 332.400 1.724 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)O)cc1 ZINC000098076080 219079297 /nfs/dbraw/zinc/07/92/97/219079297.db2.gz VJUPAZARGXGAOJ-UKRRQHHQSA-N 0 0 342.461 1.185 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccccc3OC)CCO2)[nH]1 ZINC000130032795 529699063 /nfs/dbraw/zinc/69/90/63/529699063.db2.gz OSEXEHLURMASNF-AWEZNQCLSA-N 0 0 345.403 1.659 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3ccccn3)CCO2)[nH]1 ZINC000178075135 529700885 /nfs/dbraw/zinc/70/08/85/529700885.db2.gz PZMCBWHXGHHFFN-CYBMUJFWSA-N 0 0 330.392 1.088 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3cnc4c(c3)c(C)nn4C)CCO2)[nH]1 ZINC000173688407 529701083 /nfs/dbraw/zinc/70/10/83/529701083.db2.gz SJYNOCTWQJKMMU-AWEZNQCLSA-N 0 0 341.419 1.531 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)Nc1ccccc1 ZINC000132880612 529750454 /nfs/dbraw/zinc/75/04/54/529750454.db2.gz YSSIVLGSCGQCRB-CYBMUJFWSA-N 0 0 342.403 1.613 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1c(C)ccn(C)c1=O ZINC000155098610 529750535 /nfs/dbraw/zinc/75/05/35/529750535.db2.gz SVYOTXIYXOJGEI-LLVKDONJSA-N 0 0 330.392 1.504 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000171577686 529761108 /nfs/dbraw/zinc/76/11/08/529761108.db2.gz WAMYEXWEQVUGMW-ZDUSSCGKSA-N 0 0 339.403 1.289 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccccc2OCC2CC2)C1 ZINC000154723133 529783948 /nfs/dbraw/zinc/78/39/48/529783948.db2.gz YZQOMLGTXASIBC-INIZCTEOSA-N 0 0 333.432 1.605 10 0 EDAERN CS(=O)(=O)CCC(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC000062369814 214713363 /nfs/dbraw/zinc/71/33/63/214713363.db2.gz WMGGROXNZMSDQO-UHFFFAOYSA-N 0 0 336.413 1.359 10 0 EDAERN Cn1nc(C(=O)Nc2ccc3c4c(c(=O)[nH]c3c2)CCC4)ccc1=O ZINC000049473544 214010014 /nfs/dbraw/zinc/01/00/14/214010014.db2.gz BVRPSNAAGYGMBU-UHFFFAOYSA-N 0 0 336.351 1.363 10 0 EDAERN C[C@@H]1CN(C(=O)CN2CCN(c3ccc(F)cc3)C2=O)C[C@H](C)O1 ZINC000049380083 214003521 /nfs/dbraw/zinc/00/35/21/214003521.db2.gz XOZGOMBZKXLBJE-BETUJISGSA-N 0 0 335.379 1.704 10 0 EDAERN CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000173728570 529943733 /nfs/dbraw/zinc/94/37/33/529943733.db2.gz VODHZXABLVLKCO-CQSZACIVSA-N 0 0 348.428 1.096 10 0 EDAERN COCC1CCN(C(=O)COc2ccc(NC(=O)C3CC3)cn2)CC1 ZINC000065245705 214851746 /nfs/dbraw/zinc/85/17/46/214851746.db2.gz OUMDFHRSCNBZES-UHFFFAOYSA-N 0 0 347.415 1.694 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CC(=O)NCc2cccc(OC)c2)C1 ZINC000101564532 219137147 /nfs/dbraw/zinc/13/71/47/219137147.db2.gz HZRUCHCXALLHOR-INIZCTEOSA-N 0 0 347.459 1.692 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000153080068 530044424 /nfs/dbraw/zinc/04/44/24/530044424.db2.gz NENAKRBAKXDKOX-ZBFHGGJFSA-N 0 0 330.363 1.358 10 0 EDAERN C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C(=O)N(C)C ZINC000178563426 232255839 /nfs/dbraw/zinc/25/58/39/232255839.db2.gz OQBCWOYRLOEPHZ-ZYHUDNBSSA-N 0 0 331.338 1.936 10 0 EDAERN CCCC(=O)O[C@@H](C)CC1([C@H](C)CCC)C(=O)NC(=O)NC1=O ZINC000003608713 210064474 /nfs/dbraw/zinc/06/44/74/210064474.db2.gz OHVQIMOCFGIEID-MNOVXSKESA-N 0 0 326.393 1.897 10 0 EDAERN COC(=O)[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1 ZINC000066644949 215064079 /nfs/dbraw/zinc/06/40/79/215064079.db2.gz RCLOGFGTTGEXFK-MRXNPFEDSA-N 0 0 336.351 1.911 10 0 EDAERN O=c1nc2nc(NC3CC3)[nH]cc-2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000067263490 215129095 /nfs/dbraw/zinc/12/90/95/215129095.db2.gz FTEHHQYGIMIFKD-UHFFFAOYSA-N 0 0 339.311 1.184 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000043427737 213581814 /nfs/dbraw/zinc/58/18/14/213581814.db2.gz DQPGCNPKXCDHAJ-QWHCGFSZSA-N 0 0 326.443 1.263 10 0 EDAERN CCn1c(C)nnc1CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000102925564 219241417 /nfs/dbraw/zinc/24/14/17/219241417.db2.gz JUKSIBNYOVZMFJ-NSHDSACASA-N 0 0 337.449 1.447 10 0 EDAERN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000179240611 232850204 /nfs/dbraw/zinc/85/02/04/232850204.db2.gz MBGZKIQOHOQGRB-CWRNSKLLSA-N 0 0 334.416 1.969 10 0 EDAERN COC(CNC(=O)c1ccccc1I)OC ZINC000042208171 213486114 /nfs/dbraw/zinc/48/61/14/213486114.db2.gz PGOHSONKVGEQOF-UHFFFAOYSA-N 0 0 335.141 1.640 10 0 EDAERN Cc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3)cc2)cc1 ZINC000067896883 215246237 /nfs/dbraw/zinc/24/62/37/215246237.db2.gz HMECBAGWTNYUAA-SJLPKXTDSA-N 0 0 340.379 1.796 10 0 EDAERN CS(=O)(=O)NCCc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000041263670 213436415 /nfs/dbraw/zinc/43/64/15/213436415.db2.gz LTQAZYMTZVDCMH-UHFFFAOYSA-N 0 0 337.426 1.396 10 0 EDAERN COC(CNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1)OC ZINC000041286562 213438615 /nfs/dbraw/zinc/43/86/15/213438615.db2.gz ZYEQSWIYIIEIKE-UHFFFAOYSA-N 0 0 342.395 1.965 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)CCO1 ZINC000041229531 213433237 /nfs/dbraw/zinc/43/32/37/213433237.db2.gz MRVMRAIMYZKDTM-CYBMUJFWSA-N 0 0 338.429 1.332 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1F ZINC000151458520 539754403 /nfs/dbraw/zinc/75/44/03/539754403.db2.gz LKAJFOSDGWPLSD-LBPRGKRZSA-N 0 0 343.424 1.482 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000103762985 219323742 /nfs/dbraw/zinc/32/37/42/219323742.db2.gz OKJNTRVBLXVAFT-NSHDSACASA-N 0 0 348.794 1.056 10 0 EDAERN CN(C[C@H]1CCCOC1)C(=O)c1cc(Br)cnc1N ZINC000104197532 219359982 /nfs/dbraw/zinc/35/99/82/219359982.db2.gz HKIBKBQYMDNRBL-SECBINFHSA-N 0 0 328.210 1.925 10 0 EDAERN NC(=O)[C@]1(Nc2ccccc2Br)CCCS(=O)(=O)C1 ZINC000069139010 215362784 /nfs/dbraw/zinc/36/27/84/215362784.db2.gz AFAMJAOEBRMVDZ-LBPRGKRZSA-N 0 0 347.234 1.294 10 0 EDAERN COC(=O)[C@@](Cn1cc(Br)cn1)(NC1CC1)C1CC1 ZINC000069192668 215369243 /nfs/dbraw/zinc/36/92/43/215369243.db2.gz UIBIYANMCCBCJY-ZDUSSCGKSA-N 0 0 328.210 1.719 10 0 EDAERN O=C(CNC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)NC1CC1 ZINC000040657301 213365570 /nfs/dbraw/zinc/36/55/70/213365570.db2.gz GFKPGCGFXGRKML-HNNXBMFYSA-N 0 0 344.411 1.736 10 0 EDAERN Cc1nc(NC(=O)c2cc(C)ccc2F)sc1S(N)(=O)=O ZINC000069367535 215388919 /nfs/dbraw/zinc/38/89/19/215388919.db2.gz ICVQYNUWHWTFOJ-UHFFFAOYSA-N 0 0 329.378 1.799 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccc(O)cc3F)CC2)n1 ZINC000181210089 234120147 /nfs/dbraw/zinc/12/01/47/234120147.db2.gz SAYUVMRQUSPYHL-UHFFFAOYSA-N 0 0 346.362 1.682 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnc(C)nc3C)C2=O)n(C)n1 ZINC000181487050 234202728 /nfs/dbraw/zinc/20/27/28/234202728.db2.gz FQHYKAXXMXMSDY-AWEZNQCLSA-N 0 0 342.403 1.061 10 0 EDAERN Cc1nn(C)c(Cl)c1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181559626 234230908 /nfs/dbraw/zinc/23/09/08/234230908.db2.gz QUXPOHIAGVMMST-SECBINFHSA-N 0 0 342.852 1.880 10 0 EDAERN CC[C@@H](NS(=O)(=O)c1cccc(Br)c1)C(N)=S ZINC000040362863 213293180 /nfs/dbraw/zinc/29/31/80/213293180.db2.gz MROCJXNORMNGBP-SECBINFHSA-N 0 0 337.264 1.792 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)c2ccco2)c(Br)c1 ZINC000040378663 213293457 /nfs/dbraw/zinc/29/34/57/213293457.db2.gz SIZIVVCWXLGNPM-UHFFFAOYSA-N 0 0 345.174 1.942 10 0 EDAERN CCCN(CCO)S(=O)(=O)c1cc(Br)ccc1N ZINC000040318401 213291202 /nfs/dbraw/zinc/29/12/02/213291202.db2.gz PTFGFEXLKNRPDO-UHFFFAOYSA-N 0 0 337.239 1.424 10 0 EDAERN O=C(NCCO)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1 ZINC000040180237 213280381 /nfs/dbraw/zinc/28/03/81/213280381.db2.gz JHSKUZDCBFDTFK-UHFFFAOYSA-N 0 0 326.331 1.796 10 0 EDAERN NC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cccc(F)c32)cc1 ZINC000039963447 213247574 /nfs/dbraw/zinc/24/75/74/213247574.db2.gz ZYHHAYYLFKFRRD-UHFFFAOYSA-N 0 0 339.326 1.878 10 0 EDAERN Cc1c(C)c(C)c(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(C)c1C ZINC000183359642 235026192 /nfs/dbraw/zinc/02/61/92/235026192.db2.gz PYNRPWPARXLEEK-AWEZNQCLSA-N 0 0 340.445 1.104 10 0 EDAERN CCCc1cc(=O)n(CC(=O)Nc2ccc(NC(C)=O)cc2)cn1 ZINC000038509970 213212165 /nfs/dbraw/zinc/21/21/65/213212165.db2.gz VLRDPAONOCLIGP-UHFFFAOYSA-N 0 0 328.372 1.793 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)n(C)c1 ZINC000038491972 213211129 /nfs/dbraw/zinc/21/11/29/213211129.db2.gz HNOUGXDJAUWSAE-UHFFFAOYSA-N 0 0 333.775 1.993 10 0 EDAERN O=C(Nc1ccnn1-c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000179403084 540117626 /nfs/dbraw/zinc/11/76/26/540117626.db2.gz YMTUNRACCGNIRF-KGLIPLIRSA-N 0 0 328.372 1.231 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 ZINC000182554967 540133303 /nfs/dbraw/zinc/13/33/03/540133303.db2.gz XOALUSZWWRIODP-AWEZNQCLSA-N 0 0 333.432 1.572 10 0 EDAERN CCc1cnccc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182496433 540133309 /nfs/dbraw/zinc/13/33/09/540133309.db2.gz OXOBEVBGKBDHHY-NSHDSACASA-N 0 0 333.413 1.782 10 0 EDAERN CCc1ccc(NC(=O)NC[C@@H](O)CN2CCOCC2)cc1CC ZINC000182759413 540133788 /nfs/dbraw/zinc/13/37/88/540133788.db2.gz ZJOGAMWRYXYGDE-QGZVFWFLSA-N 0 0 335.448 1.626 10 0 EDAERN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCC(=O)NCC1CC1 ZINC000183798740 235229727 /nfs/dbraw/zinc/22/97/27/235229727.db2.gz PFBQPJPNGNOLBM-NHYWBVRUSA-N 0 0 337.395 1.463 10 0 EDAERN C[C@H](NS(=O)(=O)c1cnc(-c2ccccc2)nc1)[C@H]1CCCO1 ZINC000186932259 540153272 /nfs/dbraw/zinc/15/32/72/540153272.db2.gz KFUNKVWSOTWNKX-SWLSCSKDSA-N 0 0 333.413 1.989 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000188025402 540157025 /nfs/dbraw/zinc/15/70/25/540157025.db2.gz VCUWFDMSVIQICB-AWEZNQCLSA-N 0 0 328.372 1.103 10 0 EDAERN COc1ncccc1CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000045155573 138112069 /nfs/dbraw/zinc/11/20/69/138112069.db2.gz OGAKKWRJXQDJCR-LBPRGKRZSA-N 0 0 328.372 1.917 10 0 EDAERN Cc1cc(N2CCN(Cc3nnc(C(C)C)o3)CC2)n2ncnc2n1 ZINC000076292381 138247799 /nfs/dbraw/zinc/24/77/99/138247799.db2.gz GADDGNWANUIIEW-UHFFFAOYSA-N 0 0 342.407 1.261 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CCC[C@@H](NC(C)=O)C2)c1 ZINC000077170253 138251784 /nfs/dbraw/zinc/25/17/84/138251784.db2.gz WSDJEBOBHUWSDT-MRXNPFEDSA-N 0 0 333.432 1.302 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3cc(OC(F)F)n(C)n3)C2)cn1 ZINC000185588702 235699412 /nfs/dbraw/zinc/69/94/12/235699412.db2.gz FHGRFLPTPVZENX-VIFPVBQESA-N 0 0 325.319 1.385 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000081589254 138267276 /nfs/dbraw/zinc/26/72/76/138267276.db2.gz RIRHYGWJTNSRQV-ZFWWWQNUSA-N 0 0 335.452 1.725 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010370 213189318 /nfs/dbraw/zinc/18/93/18/213189318.db2.gz BZTDRFKWETYZOU-SNVBAGLBSA-N 0 0 326.399 1.027 10 0 EDAERN CC(C)c1nc(C2(NCC(=O)N3CCN(C)CC3)CCCC2)no1 ZINC000093177264 138292444 /nfs/dbraw/zinc/29/24/44/138292444.db2.gz OXYYECPQPJZGFB-UHFFFAOYSA-N 0 0 335.452 1.326 10 0 EDAERN C[C@@H]1CN(C(=O)CSCC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000120577440 138316125 /nfs/dbraw/zinc/31/61/25/138316125.db2.gz KTYQWSXWACNSJL-GHMZBOCLSA-N 0 0 326.384 1.461 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@@H]3CCCS3)CCO2)[nH]1 ZINC000120834308 138316540 /nfs/dbraw/zinc/31/65/40/138316540.db2.gz ZVGLFRJXDLKBAB-QWRGUYRKSA-N 0 0 325.438 1.346 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCc3cscn3)C2)n1 ZINC000117041212 138312223 /nfs/dbraw/zinc/31/22/23/138312223.db2.gz QCEAHQWHEJXUQK-ZDUSSCGKSA-N 0 0 334.449 1.973 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCCO[C@@H]1CCOC1 ZINC000126837421 138338648 /nfs/dbraw/zinc/33/86/48/138338648.db2.gz MTSWARHOHFNZDJ-HZPDHXFCSA-N 0 0 336.436 1.561 10 0 EDAERN CCOCc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000130588739 138343025 /nfs/dbraw/zinc/34/30/25/138343025.db2.gz FONPQDQVHSSIOG-GOEBONIOSA-N 0 0 334.416 1.829 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N[C@@H](C)C(=O)NCC ZINC000037843973 213169494 /nfs/dbraw/zinc/16/94/94/213169494.db2.gz SOHIAVLVXMXHDI-VIFPVBQESA-N 0 0 330.226 1.915 10 0 EDAERN Cc1ccc2n1CCN(S(=O)(=O)c1sc(=O)[nH]c1C)[C@H]2C ZINC000037859216 213171670 /nfs/dbraw/zinc/17/16/70/213171670.db2.gz BATGSZWTMNPEQG-JTQLQIEISA-N 0 0 327.431 1.620 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC2(c3ccc(F)cc3F)CCC2)C1 ZINC000131652776 138363686 /nfs/dbraw/zinc/36/36/86/138363686.db2.gz KSJKBMCZFWTDIH-ZDUSSCGKSA-N 0 0 339.386 1.974 10 0 EDAERN CN(C(=O)Cc1ccc(O)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000133865288 138398936 /nfs/dbraw/zinc/39/89/36/138398936.db2.gz FAZANXXSZXFTMC-HNNXBMFYSA-N 0 0 326.400 1.852 10 0 EDAERN N[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000036960552 213127779 /nfs/dbraw/zinc/12/77/79/213127779.db2.gz PXSQTZIRQVDUKL-QMMMGPOBSA-N 0 0 325.253 1.970 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Br)cn1C1CC1 ZINC000036859460 213124075 /nfs/dbraw/zinc/12/40/75/213124075.db2.gz XZFKDJBFOYCRPH-VIFPVBQESA-N 0 0 347.234 1.502 10 0 EDAERN C[C@H](NC(=O)NCCCO[C@@H]1CCOC1)c1nnc2n1CCCC2 ZINC000152314145 138471370 /nfs/dbraw/zinc/47/13/70/138471370.db2.gz YBOJKAJDNVCPCK-QWHCGFSZSA-N 0 0 337.424 1.170 10 0 EDAERN CC(C)(C(=O)Nc1ccc(N)cc1Br)S(C)(=O)=O ZINC000070127388 215675546 /nfs/dbraw/zinc/67/55/46/215675546.db2.gz WFEOCEQQKQJLMG-UHFFFAOYSA-N 0 0 335.223 1.793 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(N)c(Br)c2)CCO1 ZINC000070217216 215682690 /nfs/dbraw/zinc/68/26/90/215682690.db2.gz HSMLWNBTGBMWKO-VIFPVBQESA-N 0 0 349.250 1.831 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187054399 236105156 /nfs/dbraw/zinc/10/51/56/236105156.db2.gz PZENHOOCUBGTIQ-UHFFFAOYSA-N 0 0 337.807 1.769 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2C)no1 ZINC000036100879 213066800 /nfs/dbraw/zinc/06/68/00/213066800.db2.gz MJUXDYDHDRBMNV-LBPRGKRZSA-N 0 0 337.401 1.905 10 0 EDAERN O=C(NC1CN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)C1)C1CC1 ZINC000187819638 236308832 /nfs/dbraw/zinc/30/88/32/236308832.db2.gz LXGIAKLUJFOXSX-RDJZCZTQSA-N 0 0 343.427 1.827 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)C[C@@H](C)O1 ZINC000071245265 215745771 /nfs/dbraw/zinc/74/57/71/215745771.db2.gz LVXSZGYCWPBREZ-RKDXNWHRSA-N 0 0 332.422 1.258 10 0 EDAERN Cn1nccc1CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000071333162 215762207 /nfs/dbraw/zinc/76/22/07/215762207.db2.gz NPTVLAATPBXSJK-UHFFFAOYSA-N 0 0 335.216 1.788 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(C)cc3)CC2)no1 ZINC000171759767 138660846 /nfs/dbraw/zinc/66/08/46/138660846.db2.gz HKXZIPFCKJPKRL-UHFFFAOYSA-N 0 0 328.416 1.963 10 0 EDAERN Cc1nc2c(Cl)cc(Cl)cn2c1C(=O)N1CCN(C=O)CC1 ZINC000071544207 215785628 /nfs/dbraw/zinc/78/56/28/215785628.db2.gz NONAXYJIXJYAJO-UHFFFAOYSA-N 0 0 341.198 1.864 10 0 EDAERN COCCCOc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000173694087 138673453 /nfs/dbraw/zinc/67/34/53/138673453.db2.gz GRXKPNWURYFVKE-CQSZACIVSA-N 0 0 330.388 1.438 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 ZINC000173810569 138675260 /nfs/dbraw/zinc/67/52/60/138675260.db2.gz LXXKCUDDQLBCMU-MRXNPFEDSA-N 0 0 341.415 1.255 10 0 EDAERN CC(C)c1nc(C2(NC(=O)c3cc(C(N)=O)c[nH]3)CCCC2)no1 ZINC000177051596 138720710 /nfs/dbraw/zinc/72/07/10/138720710.db2.gz QZHODRASMGHRLJ-UHFFFAOYSA-N 0 0 331.376 1.819 10 0 EDAERN O=S(=O)(N1CCC[C@@H](Cn2cncn2)C1)N1CCCCCC1 ZINC000180971047 138763361 /nfs/dbraw/zinc/76/33/61/138763361.db2.gz IKOXCBDTRBEQMK-AWEZNQCLSA-N 0 0 327.454 1.111 10 0 EDAERN Cc1ccccc1CNC(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000176571176 237343294 /nfs/dbraw/zinc/34/32/94/237343294.db2.gz IXEOPYLBIBXOBT-HSZRJFAPSA-N 0 0 335.433 1.128 10 0 EDAERN Cc1ccccc1NC(=O)CC[S@](=O)Cc1nnnn1C(C)C ZINC000176576505 237343517 /nfs/dbraw/zinc/34/35/17/237343517.db2.gz KGDUMIFCMGFHOQ-QHCPKHFHSA-N 0 0 335.433 1.840 10 0 EDAERN CC[C@H]1C[C@@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)CCO1 ZINC000183756142 138787943 /nfs/dbraw/zinc/78/79/43/138787943.db2.gz IYEJQCVMTQIWPV-GJZGRUSLSA-N 0 0 336.436 1.618 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C1 ZINC000185303740 138803814 /nfs/dbraw/zinc/80/38/14/138803814.db2.gz DVPHOYJBCZOBSS-QFBILLFUSA-N 0 0 328.412 1.254 10 0 EDAERN COc1ccc(Br)cc1[C@H]([NH2+]CCN(C)C)C(=O)[O-] ZINC000037964576 213176615 /nfs/dbraw/zinc/17/66/15/213176615.db2.gz HBTUZHAQAILOOP-LBPRGKRZSA-N 0 0 331.210 1.735 10 0 EDAERN O=C(CCOC[C@@H]1CCCO1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187748813 138828833 /nfs/dbraw/zinc/82/88/33/138828833.db2.gz NEJOHMUUXHNMRI-JYJNAYRXSA-N 0 0 339.457 1.868 10 0 EDAERN O=C(CSC[C@@H]1CCCCO1)N1CC(NC(=O)C2CCC2)C1 ZINC000188549450 138844483 /nfs/dbraw/zinc/84/44/83/138844483.db2.gz XFYVGHJOKQBUTH-AWEZNQCLSA-N 0 0 326.462 1.416 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1csc2ccccc12 ZINC000188635037 138847177 /nfs/dbraw/zinc/84/71/77/138847177.db2.gz WSXPRULSUYWBDV-UKRRQHHQSA-N 0 0 332.425 1.841 10 0 EDAERN CC(C)(C(=O)N1CCC[C@](O)(C(N)=O)C1)c1ccc(Cl)cc1F ZINC000225488182 241894823 /nfs/dbraw/zinc/89/48/23/241894823.db2.gz NIWQCNGDVHUSCB-MRXNPFEDSA-N 0 0 342.798 1.596 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cnn(-c2ccc(F)cc2)n1 ZINC000177530714 284050002 /nfs/dbraw/zinc/05/00/02/284050002.db2.gz NARIYSDQNSBDCD-GFCCVEGCSA-N 0 0 327.323 1.263 10 0 EDAERN CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000020613346 212155137 /nfs/dbraw/zinc/15/51/37/212155137.db2.gz GDZHDHKGKIWOJY-UHFFFAOYSA-N 0 0 330.837 1.029 10 0 EDAERN O=S(=O)(C[C@@H]1CCOC1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249199896 243670645 /nfs/dbraw/zinc/67/06/45/243670645.db2.gz CQVLIZVHBHFZKI-KWCYVHTRSA-N 0 0 331.459 1.122 10 0 EDAERN COCCOc1ccc(CC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000192114613 138936719 /nfs/dbraw/zinc/93/67/19/138936719.db2.gz ZEJQLDMSKUUUGL-MRXNPFEDSA-N 0 0 344.415 1.710 10 0 EDAERN CCc1nnc(NC(=O)N[C@@H]2CCCn3nc(COC)nc32)s1 ZINC000134478128 223501266 /nfs/dbraw/zinc/50/12/66/223501266.db2.gz RMTVZTGUMAUBEI-MRVPVSSYSA-N 0 0 337.409 1.495 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000193192035 138963355 /nfs/dbraw/zinc/96/33/55/138963355.db2.gz KMMUEECHGAIMIE-AWEZNQCLSA-N 0 0 327.388 1.734 10 0 EDAERN Cc1c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cnn1C1CCCC1 ZINC000193342406 138967220 /nfs/dbraw/zinc/96/72/20/138967220.db2.gz LLYKIIQANJLAKC-CZUORRHYSA-N 0 0 348.447 1.912 10 0 EDAERN Cc1ccn(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c(=O)c1 ZINC000194837720 139001104 /nfs/dbraw/zinc/00/11/04/139001104.db2.gz GMJFYSJFXFSUIU-HUUCEWRRSA-N 0 0 330.384 1.864 10 0 EDAERN CCCCN(C)S(=O)(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000195014480 139004674 /nfs/dbraw/zinc/00/46/74/139004674.db2.gz IGNLNWHHFLOEQB-UHFFFAOYSA-N 0 0 348.490 1.298 10 0 EDAERN COc1ccc(O)c(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000195271295 139011992 /nfs/dbraw/zinc/01/19/92/139011992.db2.gz FDXKYRNEEPLTFQ-LLVKDONJSA-N 0 0 330.388 1.861 10 0 EDAERN O=C(CN1CCO[C@H](c2nccs2)C1)NC(=O)Nc1ccccc1 ZINC000195521544 139019894 /nfs/dbraw/zinc/01/98/94/139019894.db2.gz VMIHJPKEYJCOAL-ZDUSSCGKSA-N 0 0 346.412 1.865 10 0 EDAERN Cc1nc(C[C@H]2CCCN(CC(=O)NCc3ccccc3)C2)no1 ZINC000195517787 139019228 /nfs/dbraw/zinc/01/92/28/139019228.db2.gz QAWSWRFUHJQWAM-MRXNPFEDSA-N 0 0 328.416 1.949 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(F)ccc1F ZINC000155756077 284319548 /nfs/dbraw/zinc/31/95/48/284319548.db2.gz YCRKALHFHKBJQE-GFCCVEGCSA-N 0 0 326.299 1.457 10 0 EDAERN COCCn1c(CO)nnc1-c1cc(Br)ccc1F ZINC000136217174 223633878 /nfs/dbraw/zinc/63/38/78/223633878.db2.gz HJEXOPCQNSVBGR-UHFFFAOYSA-N 0 0 330.157 1.985 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000110753061 220063549 /nfs/dbraw/zinc/06/35/49/220063549.db2.gz DCNHWNBVQDXUBJ-CQSZACIVSA-N 0 0 342.399 1.975 10 0 EDAERN Cc1nn(C)c2ncc(C(=O)N3CCO[C@@H](c4nccs4)C3)cc12 ZINC000110876193 220073487 /nfs/dbraw/zinc/07/34/87/220073487.db2.gz NQNNCOSWXYGLAK-CYBMUJFWSA-N 0 0 343.412 1.947 10 0 EDAERN Cn1ncc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1-n1cccc1 ZINC000110884159 220074687 /nfs/dbraw/zinc/07/46/87/220074687.db2.gz BCYNSRYNYTUWMN-CYBMUJFWSA-N 0 0 343.412 1.881 10 0 EDAERN O=C(c1cc2ccccc2oc1=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087925 220098437 /nfs/dbraw/zinc/09/84/37/220098437.db2.gz AVDHOTPRCOVEOJ-AWEZNQCLSA-N 0 0 339.351 1.531 10 0 EDAERN C[S@@](=O)Cc1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111089069 220099066 /nfs/dbraw/zinc/09/90/66/220099066.db2.gz VKEZKUQAZQKQPO-GYCJOSAFSA-N 0 0 347.440 1.303 10 0 EDAERN CCCc1ccc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111359886 220145439 /nfs/dbraw/zinc/14/54/39/220145439.db2.gz PKPMMFZLAQHJDY-INIZCTEOSA-N 0 0 349.456 1.925 10 0 EDAERN O=C(Nc1cccnc1N1CCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173799165 284378087 /nfs/dbraw/zinc/37/80/87/284378087.db2.gz XROSGKCORVXDFC-HNNXBMFYSA-N 0 0 345.447 1.620 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c(O)c1 ZINC000111621549 220172846 /nfs/dbraw/zinc/17/28/46/220172846.db2.gz QLDVFPXBYQTMGJ-HNNXBMFYSA-N 0 0 345.399 1.755 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCCn3ccnc3)CCO2)n1 ZINC000111785810 220190281 /nfs/dbraw/zinc/19/02/81/220190281.db2.gz WRUCLBRITYRPAB-MRXNPFEDSA-N 0 0 346.435 1.197 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCCn3cccn3)CCO2)n1 ZINC000111813528 220195879 /nfs/dbraw/zinc/19/58/79/220195879.db2.gz CJBZTEUSKIZVTH-MRXNPFEDSA-N 0 0 346.435 1.197 10 0 EDAERN CCCCOCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111843808 220206367 /nfs/dbraw/zinc/20/63/67/220206367.db2.gz XTXODBINPFNXPU-INIZCTEOSA-N 0 0 338.452 1.727 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1OC ZINC000112063560 220236327 /nfs/dbraw/zinc/23/63/27/220236327.db2.gz XKCWLYPHHJEYTE-OAHLLOKOSA-N 0 0 345.399 1.750 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3ccccn3)CCO2)c1 ZINC000171914939 227361804 /nfs/dbraw/zinc/36/18/04/227361804.db2.gz KYIVTWTWVLJHOJ-INIZCTEOSA-N 0 0 329.404 1.240 10 0 EDAERN CCn1cc(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)ccc1=O ZINC000112104137 220243308 /nfs/dbraw/zinc/24/33/08/220243308.db2.gz PLXQIUNCNACIHB-HNNXBMFYSA-N 0 0 345.403 1.306 10 0 EDAERN COc1cccc(CNC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000112104041 220243424 /nfs/dbraw/zinc/24/34/24/220243424.db2.gz QKUVLMPIHPQNHH-KRWDZBQOSA-N 0 0 344.415 1.811 10 0 EDAERN COCCOc1ccccc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246582150 139113859 /nfs/dbraw/zinc/11/38/59/139113859.db2.gz AFYJDMANZDUCIV-CABCVRRESA-N 0 0 336.432 1.239 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)C[C@H]1N1CCOCC1 ZINC000246624388 139115437 /nfs/dbraw/zinc/11/54/37/139115437.db2.gz YBKKQXLVZWRVNR-XHDPSFHLSA-N 0 0 346.399 1.306 10 0 EDAERN COCCOc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246787169 139121638 /nfs/dbraw/zinc/12/16/38/139121638.db2.gz QLCXNSPFMBCFJU-GJZGRUSLSA-N 0 0 336.432 1.239 10 0 EDAERN O=C(NCC[S@@](=O)Cc1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000246862030 139124539 /nfs/dbraw/zinc/12/45/39/139124539.db2.gz KSEIJZCHGIZSGN-BXKMTCNYSA-N 0 0 349.500 1.815 10 0 EDAERN C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246899643 139125944 /nfs/dbraw/zinc/12/59/44/139125944.db2.gz HRPWMXPVQBWSKJ-GRDNDAEWSA-N 0 0 336.407 1.772 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1[C@H]3CCO[C@H]3C1(C)C)CC2 ZINC000246962664 139128804 /nfs/dbraw/zinc/12/88/04/139128804.db2.gz OKTOJEVDIBWKHH-YIKOMLBNSA-N 0 0 333.436 1.268 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(C(=O)NC)c1 ZINC000088348925 217747791 /nfs/dbraw/zinc/74/77/91/217747791.db2.gz LDCJCQGMFMWQMU-CYBMUJFWSA-N 0 0 342.403 1.857 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@](C)(O)c1ccc(F)cc1 ZINC000089258488 217779753 /nfs/dbraw/zinc/77/97/53/217779753.db2.gz JQIQTZPYONMRMF-DIFFPNOSSA-N 0 0 334.347 1.561 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000089373400 217790712 /nfs/dbraw/zinc/79/07/12/217790712.db2.gz XDKARQDBNOXTKU-NWDGAFQWSA-N 0 0 331.384 1.961 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)C[C@@H]1C ZINC000247377756 139146471 /nfs/dbraw/zinc/14/64/71/139146471.db2.gz VMEBNYMIRYGYJV-VVLHAWIVSA-N 0 0 325.497 1.817 10 0 EDAERN Cc1cc(CNC[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)no1 ZINC000012091143 211289426 /nfs/dbraw/zinc/28/94/26/211289426.db2.gz VSIGMNZGWFRBPY-GOSISDBHSA-N 0 0 347.390 1.765 10 0 EDAERN CC[C@H](C)NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 ZINC000012026262 211280802 /nfs/dbraw/zinc/28/08/02/211280802.db2.gz CIZSHLXIDVVCBJ-NSHDSACASA-N 0 0 338.429 1.918 10 0 EDAERN Cc1cccc(CC2(NC(=O)C3CCN(CC(N)=O)CC3)CC2)c1 ZINC000091426907 218004546 /nfs/dbraw/zinc/00/45/46/218004546.db2.gz QBLUTINXBYAWHC-UHFFFAOYSA-N 0 0 329.444 1.384 10 0 EDAERN O=C(c1nnc2n1CCCC2)N1CC[C@H](Cc2ccc(CO)cc2)C1 ZINC000091593429 218028124 /nfs/dbraw/zinc/02/81/24/218028124.db2.gz FPROMQVPZXHECU-MRXNPFEDSA-N 0 0 340.427 1.812 10 0 EDAERN COCCc1noc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC=C(C)C)n1 ZINC000091724507 218053705 /nfs/dbraw/zinc/05/37/05/218053705.db2.gz OEPLAIMWSJSHMD-LSDHHAIUSA-N 0 0 348.447 1.648 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000091782350 218066171 /nfs/dbraw/zinc/06/61/71/218066171.db2.gz UHJOXQJHMYIRBZ-QRGHLMKCSA-N 0 0 344.289 1.311 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000248712180 139172685 /nfs/dbraw/zinc/17/26/85/139172685.db2.gz JFRKXKOLHXCVSE-ZBFHGGJFSA-N 0 0 338.452 1.208 10 0 EDAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000093223397 218206188 /nfs/dbraw/zinc/20/61/88/218206188.db2.gz MREPRKVVJNLMGS-ACJLOTCBSA-N 0 0 348.447 1.730 10 0 EDAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249487474 139194051 /nfs/dbraw/zinc/19/40/51/139194051.db2.gz XJWDOYPLGGPDEG-FZMZJTMJSA-N 0 0 349.403 1.464 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@@H](CO)Cc1ccc(C)cc1 ZINC000249504402 139194370 /nfs/dbraw/zinc/19/43/70/139194370.db2.gz YCFKUKXZKGJXLD-MSOLQXFVSA-N 0 0 334.460 1.516 10 0 EDAERN CCc1csc([C@H]2CCCN([C@H](C)C(=O)NCC(=O)OC)C2)n1 ZINC000249876401 139199366 /nfs/dbraw/zinc/19/93/66/139199366.db2.gz LUUNBEPFOHHIKB-NEPJUHHUSA-N 0 0 339.461 1.563 10 0 EDAERN Cc1ccccc1[C@@H](C(=O)[O-])[NH+]1CCN(Cc2nccn2C)CC1 ZINC000095384574 218316943 /nfs/dbraw/zinc/31/69/43/218316943.db2.gz BWGALOOHMJOVIG-KRWDZBQOSA-N 0 0 328.416 1.672 10 0 EDAERN COc1cc(OC)c(CNC(=O)c2csc(CN)n2)c(OC)c1 ZINC000262633747 139291743 /nfs/dbraw/zinc/29/17/43/139291743.db2.gz NYMWBVGEPBLFTC-UHFFFAOYSA-N 0 0 337.401 1.558 10 0 EDAERN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)o1 ZINC000153260754 224080874 /nfs/dbraw/zinc/08/08/74/224080874.db2.gz PUPVRXQCZYECJV-LBPRGKRZSA-N 0 0 338.360 1.874 10 0 EDAERN Cc1nc(C)n(Cc2cccc(NC(=O)[C@@H]3CC(F)(F)CN3)c2)n1 ZINC000263285399 139333222 /nfs/dbraw/zinc/33/32/22/139333222.db2.gz UXZGVPMFNHEDJJ-AWEZNQCLSA-N 0 0 335.358 1.879 10 0 EDAERN COc1ccc(S(=O)(=O)NCCn2cc(C)cn2)c(C)c1F ZINC000181683195 533061327 /nfs/dbraw/zinc/06/13/27/533061327.db2.gz SQBKJSMPGKIDIZ-UHFFFAOYSA-N 0 0 327.381 1.626 10 0 EDAERN C[C@H](C(=O)N1CCCCC1)N1CCN(Cc2nnc(C3CC3)[nH]2)CC1 ZINC000097373538 219017197 /nfs/dbraw/zinc/01/71/97/219017197.db2.gz BWFHYDGJGNSKEW-CQSZACIVSA-N 0 0 346.479 1.201 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cccc(OCc2cccnc2)c1 ZINC000112647002 220362655 /nfs/dbraw/zinc/36/26/55/220362655.db2.gz BNYDNGLSYYNPPZ-INIZCTEOSA-N 0 0 349.394 1.997 10 0 EDAERN COc1ccccc1C[C@@H](C)CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648449 220362827 /nfs/dbraw/zinc/36/28/27/220362827.db2.gz QKWJPWMQTRHMNU-UKRRQHHQSA-N 0 0 328.416 1.987 10 0 EDAERN COc1ccc(SCCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112649421 220363992 /nfs/dbraw/zinc/36/39/92/220363992.db2.gz FARXJVKCHOEMMK-GFCCVEGCSA-N 0 0 332.429 1.900 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112649210 220364439 /nfs/dbraw/zinc/36/44/39/220364439.db2.gz OXRKVGKTBAJEJT-NWDGAFQWSA-N 0 0 335.408 1.109 10 0 EDAERN O=C(NCCOc1cccc(Cl)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112744479 220394330 /nfs/dbraw/zinc/39/43/30/220394330.db2.gz ZEZGVEBYDPGPJY-GFCCVEGCSA-N 0 0 335.795 1.625 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)c1 ZINC000113184615 220473639 /nfs/dbraw/zinc/47/36/39/220473639.db2.gz YXBNWDYOOMXBDV-ZBFHGGJFSA-N 0 0 327.384 1.595 10 0 EDAERN CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113299042 220517948 /nfs/dbraw/zinc/51/79/48/220517948.db2.gz FMSPZNLZWGSIOL-CYBMUJFWSA-N 0 0 334.445 1.869 10 0 EDAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113888392 220604048 /nfs/dbraw/zinc/60/40/48/220604048.db2.gz XHBCAHATTVOMGR-ZDUSSCGKSA-N 0 0 345.403 1.328 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)CC2 ZINC000114890652 220773971 /nfs/dbraw/zinc/77/39/71/220773971.db2.gz MKCRNJOLRZIUQN-CYBMUJFWSA-N 0 0 336.399 1.975 10 0 EDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)cn1 ZINC000116369975 220956716 /nfs/dbraw/zinc/95/67/16/220956716.db2.gz XNYFZTIJWJSVMC-JTQLQIEISA-N 0 0 327.356 1.877 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116586422 220974952 /nfs/dbraw/zinc/97/49/52/220974952.db2.gz VASUIAQGOMBUJZ-AWEZNQCLSA-N 0 0 326.400 1.937 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2)C[C@@H]1CC ZINC000116899333 221008020 /nfs/dbraw/zinc/00/80/20/221008020.db2.gz JXYHWRYUZZBQRQ-HNNXBMFYSA-N 0 0 344.452 1.947 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2c(C)noc2C)C[C@@H]1C ZINC000117368815 221057893 /nfs/dbraw/zinc/05/78/93/221057893.db2.gz UYYHTEWZZBHXMB-NSHDSACASA-N 0 0 331.438 1.023 10 0 EDAERN COCCN1CCN(S(=O)(=O)CCc2ccccc2)C[C@H]1C ZINC000117370257 221058262 /nfs/dbraw/zinc/05/82/62/221058262.db2.gz JCAMCSVOQMJJBP-OAHLLOKOSA-N 0 0 326.462 1.211 10 0 EDAERN COCCN1CCN(C(=O)NCCOc2cccc(C)c2)C[C@@H]1C ZINC000117398342 221060128 /nfs/dbraw/zinc/06/01/28/221060128.db2.gz DOUXZVJCEBFFPJ-INIZCTEOSA-N 0 0 335.448 1.736 10 0 EDAERN COCCN1CCN(C(=O)NCCc2cc(C)ccc2OC)C[C@H]1C ZINC000117472180 221066517 /nfs/dbraw/zinc/06/65/17/221066517.db2.gz HWPCVBNAHMBXJU-MRXNPFEDSA-N 0 0 349.475 1.908 10 0 EDAERN COCCN1CCN(C(=O)C[C@H](NC(C)=O)c2ccccc2)C[C@@H]1C ZINC000117286478 221042927 /nfs/dbraw/zinc/04/29/27/221042927.db2.gz BSOMQSBUKVMYEB-YJBOKZPZSA-N 0 0 347.459 1.433 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(-n3cncn3)c2)C[C@@H]1C ZINC000117294427 221046714 /nfs/dbraw/zinc/04/67/14/221046714.db2.gz PKFADBPKJWWROS-AWEZNQCLSA-N 0 0 329.404 1.060 10 0 EDAERN COCCN1CCN(C(=O)COc2ccccc2Cl)C[C@@H]1C ZINC000117295562 221046818 /nfs/dbraw/zinc/04/68/18/221046818.db2.gz ZTEQBNFWQXEIBD-ZDUSSCGKSA-N 0 0 326.824 1.898 10 0 EDAERN COCCN1CCN(C(=O)CSc2ccc(OC)cc2)C[C@@H]1C ZINC000117295699 221046837 /nfs/dbraw/zinc/04/68/37/221046837.db2.gz QOMQQMBEXMCCFV-AWEZNQCLSA-N 0 0 338.473 1.966 10 0 EDAERN COCCN1CCN(C(=O)c2cncc(Br)c2)C[C@H]1C ZINC000117294278 221048093 /nfs/dbraw/zinc/04/80/93/221048093.db2.gz NPTXXQIHQOHSGP-LLVKDONJSA-N 0 0 342.237 1.637 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2OC)C[C@@H]1C ZINC000117369146 221057577 /nfs/dbraw/zinc/05/75/77/221057577.db2.gz UARKFQYEELVADH-AWEZNQCLSA-N 0 0 342.461 1.427 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000117521558 221073080 /nfs/dbraw/zinc/07/30/80/221073080.db2.gz AUYMLDNTWSEWGV-MRXNPFEDSA-N 0 0 347.459 1.811 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000118010088 221105918 /nfs/dbraw/zinc/10/59/18/221105918.db2.gz ZEPVXSOOVQISCQ-UHFFFAOYSA-N 0 0 327.388 1.905 10 0 EDAERN Cc1cnn(CCNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1 ZINC000117817521 221092983 /nfs/dbraw/zinc/09/29/83/221092983.db2.gz MUNLCYKXWGZYPH-UHFFFAOYSA-N 0 0 339.399 1.486 10 0 EDAERN COC(=O)[C@H](c1ccccc1)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000117880226 221095734 /nfs/dbraw/zinc/09/57/34/221095734.db2.gz FCMMQPQPHQSMIF-BBRMVZONSA-N 0 0 344.415 1.971 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000118133902 221127960 /nfs/dbraw/zinc/12/79/60/221127960.db2.gz KMTORCYVBKWTND-UHFFFAOYSA-N 0 0 338.371 1.132 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000118080687 221112830 /nfs/dbraw/zinc/11/28/30/221112830.db2.gz FVFGZMSRKKFDRJ-OAHLLOKOSA-N 0 0 341.415 1.576 10 0 EDAERN CO[C@@H](C(=O)N[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000118668970 221166867 /nfs/dbraw/zinc/16/68/67/221166867.db2.gz UKWPNFDCBCNEQL-NVXWUHKLSA-N 0 0 326.400 1.949 10 0 EDAERN CCc1nc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cs1 ZINC000118671588 221168095 /nfs/dbraw/zinc/16/80/95/221168095.db2.gz IQRALFMKUILXIE-GFCCVEGCSA-N 0 0 331.445 1.823 10 0 EDAERN CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119104799 221245056 /nfs/dbraw/zinc/24/50/56/221245056.db2.gz AZNPWNHJZPSWIS-INIZCTEOSA-N 0 0 349.406 1.703 10 0 EDAERN CCc1ncc(NC(=O)N[C@@H]2CCCn3nc(COC)nc32)cn1 ZINC000119059840 221234321 /nfs/dbraw/zinc/23/43/21/221234321.db2.gz QVYIUIBJPYGCGH-LLVKDONJSA-N 0 0 331.380 1.434 10 0 EDAERN COC[C@H](C)C(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191580107 285329336 /nfs/dbraw/zinc/32/93/36/285329336.db2.gz VLYYNYCYJUHDDA-GJZGRUSLSA-N 0 0 342.480 1.924 10 0 EDAERN Cn1cc(C(=O)N2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)cn1 ZINC000248145582 257662104 /nfs/dbraw/zinc/66/21/04/257662104.db2.gz RTWYYKKWQWAKQT-INIZCTEOSA-N 0 0 342.399 1.406 10 0 EDAERN CC(=O)N1Cc2cccn2C[C@H](C(=O)NCCc2ccncc2)C1 ZINC000247899150 257674794 /nfs/dbraw/zinc/67/47/94/257674794.db2.gz AIYSIHZNXGPZAQ-INIZCTEOSA-N 0 0 326.400 1.220 10 0 EDAERN COCCN1CC[C@@]2(CN(C(=O)Cc3cccs3)C[C@@H]2C)C1=O ZINC000247845242 257677268 /nfs/dbraw/zinc/67/72/68/257677268.db2.gz MILVFURJAZSXNH-GUYCJALGSA-N 0 0 336.457 1.634 10 0 EDAERN CCOC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2ncn(CC3CC3)c21 ZINC000096060340 257700249 /nfs/dbraw/zinc/70/02/49/257700249.db2.gz MSEJEMKEJMBPRO-ZDUSSCGKSA-N 0 0 339.461 1.721 10 0 EDAERN COC(=O)C1(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)CCCCC1 ZINC000171411423 533233846 /nfs/dbraw/zinc/23/38/46/533233846.db2.gz KTTFVXIKCRCASV-OAHLLOKOSA-N 0 0 348.447 1.549 10 0 EDAERN COc1ncccc1Cn1ncc(I)cc1=O ZINC000158557512 533264305 /nfs/dbraw/zinc/26/43/05/533264305.db2.gz RCCOVWALBRMPFU-UHFFFAOYSA-N 0 0 343.124 1.300 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(F)c(Cl)c(CO)c1)[C@@H]1CCOC1 ZINC000167039660 533480237 /nfs/dbraw/zinc/48/02/37/533480237.db2.gz JWLQPXKLUJAVBZ-RKDXNWHRSA-N 0 0 337.800 1.675 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H](n2cncn2)C1)C(=O)N1CCCCC1 ZINC000175065081 533588033 /nfs/dbraw/zinc/58/80/33/533588033.db2.gz CQNKQSACSNIOMN-KBPBESRZSA-N 0 0 334.424 1.026 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nnc2n1CCCC2 ZINC000153438056 533670560 /nfs/dbraw/zinc/67/05/60/533670560.db2.gz GEZLYRQSVQLDHN-NWDGAFQWSA-N 0 0 348.451 1.374 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000328784508 140675052 /nfs/dbraw/zinc/67/50/52/140675052.db2.gz VREXHBQDVWJAFU-CQSZACIVSA-N 0 0 347.463 1.795 10 0 EDAERN O=C(c1cccc(C(=O)N2CCCC2)n1)N(C[C@@H]1CCOC1)C1CC1 ZINC000329747385 140758917 /nfs/dbraw/zinc/75/89/17/140758917.db2.gz ZIEQZYZUHHSURB-AWEZNQCLSA-N 0 0 343.427 1.959 10 0 EDAERN COc1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1-c1ccn(C)n1 ZINC000329750619 140759323 /nfs/dbraw/zinc/75/93/23/140759323.db2.gz IGDJDGYXVOSNBC-LXZKKBNFSA-N 0 0 341.411 1.939 10 0 EDAERN C[C@H]1CC[C@@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000333026629 141252090 /nfs/dbraw/zinc/25/20/90/141252090.db2.gz GOAQRUJERFPLJQ-GOEBONIOSA-N 0 0 336.480 1.419 10 0 EDAERN O=C(C[C@H]1Oc2ccccc2NC1=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333316619 141298102 /nfs/dbraw/zinc/29/81/02/141298102.db2.gz KHVFQACQVLCSOE-BXUZGUMPSA-N 0 0 341.371 1.301 10 0 EDAERN Cc1nc2c(nccc2C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)[nH]1 ZINC000333320584 141298713 /nfs/dbraw/zinc/29/87/13/141298713.db2.gz WVWWSJOFQSGKSU-DZGCQCFKSA-N 0 0 340.387 1.568 10 0 EDAERN Cc1cc(C)n(CC(=O)NC[C@@H]2Cc3ccccc3N(C)C2)c(=O)n1 ZINC000333364508 141306011 /nfs/dbraw/zinc/30/60/11/141306011.db2.gz UZUUXBDLXDUARV-HNNXBMFYSA-N 0 0 340.427 1.285 10 0 EDAERN O=C([C@H]1CCc2cccnc21)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000333400244 141311779 /nfs/dbraw/zinc/31/17/79/141311779.db2.gz FNETVCXFAYZTST-HNNXBMFYSA-N 0 0 346.394 1.807 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCc4cccnc43)CCO2)n1 ZINC000333410582 141313760 /nfs/dbraw/zinc/31/37/60/141313760.db2.gz HCNSYRUZHJDKEX-HOTGVXAUSA-N 0 0 341.415 1.247 10 0 EDAERN CCn1cncc1S(=O)(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000333426633 141316296 /nfs/dbraw/zinc/31/62/96/141316296.db2.gz JIPAYWHWTMFLLS-UHFFFAOYSA-N 0 0 349.460 1.554 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(c3cnc4c(n3)CCCC4)CC2)n1 ZINC000333561295 141337230 /nfs/dbraw/zinc/33/72/30/141337230.db2.gz QRSUHSSTFVLJTH-GFCCVEGCSA-N 0 0 328.420 1.930 10 0 EDAERN CCC[C@@H]1CCCC[C@H]1CN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O ZINC000333570400 141338481 /nfs/dbraw/zinc/33/84/81/141338481.db2.gz RXICZXXGJMRSMA-HZSPNIEDSA-N 0 0 342.461 1.654 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCN(Cc2ccon2)CC1 ZINC000333571736 141338726 /nfs/dbraw/zinc/33/87/26/141338726.db2.gz UEZARMMRYASPIH-DOTOQJQBSA-N 0 0 334.464 1.972 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@@](C)(O)C(C)C)C12CCOCC2 ZINC000248569977 286361450 /nfs/dbraw/zinc/36/14/50/286361450.db2.gz LIKOENYKMOJUHQ-SQWLQELKSA-N 0 0 328.453 1.667 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCC2(OC)CCC2)C12CCOCC2 ZINC000185932183 286530976 /nfs/dbraw/zinc/53/09/76/286530976.db2.gz SLZYKQYLRBOJBH-KBPBESRZSA-N 0 0 326.437 1.829 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cnn3ccc(C)nc23)C12CCOCC2 ZINC000187091160 286536838 /nfs/dbraw/zinc/53/68/38/286536838.db2.gz FEZNYODTDHZRQH-GJZGRUSLSA-N 0 0 344.415 1.742 10 0 EDAERN CN1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000373810396 157014863 /nfs/dbraw/zinc/01/48/63/157014863.db2.gz JRLUOJSFSYVZQB-ZDUSSCGKSA-N 0 0 337.387 1.324 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCc1cccc(O)c1 ZINC000074062283 287266744 /nfs/dbraw/zinc/26/67/44/287266744.db2.gz QGQUSSXFMWLTPF-INIZCTEOSA-N 0 0 333.432 1.977 10 0 EDAERN CCn1ccnc1CS(=O)(=O)c1nc(C)c(C)n1CCOC ZINC000081532644 287313652 /nfs/dbraw/zinc/31/36/52/287313652.db2.gz LFWMQGULHHJBLN-UHFFFAOYSA-N 0 0 326.422 1.337 10 0 EDAERN COCc1c(Br)cccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000111800272 287338297 /nfs/dbraw/zinc/33/82/97/287338297.db2.gz UYUVTRPCCHUBEI-MRVPVSSYSA-N 0 0 327.178 1.670 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2c(CC)noc2CC)C[C@@H]1C ZINC000119030030 287349367 /nfs/dbraw/zinc/34/93/67/287349367.db2.gz ICTADCYJZQZXLE-AWEZNQCLSA-N 0 0 337.464 1.911 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000119425557 287352747 /nfs/dbraw/zinc/35/27/47/287352747.db2.gz CVSAKNZPBHCPIN-LBPRGKRZSA-N 0 0 337.395 1.344 10 0 EDAERN C[C@H]1C[C@H]1CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000159868746 225294085 /nfs/dbraw/zinc/29/40/85/225294085.db2.gz RTKKGDUCHJVKOW-CBAPKCEASA-N 0 0 347.234 1.482 10 0 EDAERN COC(C)(C)CNS(=O)(=O)c1ccc(N)cc1Br ZINC000159887651 225296460 /nfs/dbraw/zinc/29/64/60/225296460.db2.gz NOEDTAGNHAMVQC-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN CCC1CCC(NC(=O)N2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000120889742 287365790 /nfs/dbraw/zinc/36/57/90/287365790.db2.gz PNEJQPRUNPZYMN-ZALBZXLWSA-N 0 0 326.437 1.911 10 0 EDAERN C[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)c1nnc2n1CCCC2 ZINC000121702901 287373770 /nfs/dbraw/zinc/37/37/70/287373770.db2.gz WYNWRKSWZYFPHP-NEPJUHHUSA-N 0 0 328.438 1.164 10 0 EDAERN C[C@]1(O)CCCN(S(=O)(=O)c2ccc(Br)c(N)c2)C1 ZINC000162960378 225899602 /nfs/dbraw/zinc/89/96/02/225899602.db2.gz IXVIVWVUEUSHKH-LBPRGKRZSA-N 0 0 349.250 1.567 10 0 EDAERN Cn1cc(CNc2ccc(F)c(Br)c2)c(=O)n(C)c1=O ZINC000164830206 226101267 /nfs/dbraw/zinc/10/12/67/226101267.db2.gz UOEPCEPSDFCGJQ-UHFFFAOYSA-N 0 0 342.168 1.598 10 0 EDAERN Nc1ccc(Cl)cc1S(=O)(=O)CC(=O)NCC(F)(F)F ZINC000165267822 226116810 /nfs/dbraw/zinc/11/68/10/226116810.db2.gz NELGRSWANFNERM-UHFFFAOYSA-N 0 0 330.715 1.374 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(CC(N)=S)cc1)[C@@H]1CCOC1 ZINC000166231962 226151500 /nfs/dbraw/zinc/15/15/00/226151500.db2.gz FICTWMSUZVZQNM-CMPLNLGQSA-N 0 0 328.459 1.219 10 0 EDAERN COCCN[C@@H](C(N)=O)c1ccc(Br)c2cccnc21 ZINC000166510933 226161861 /nfs/dbraw/zinc/16/18/61/226161861.db2.gz GNLVLFLATTUSQJ-CYBMUJFWSA-N 0 0 338.205 1.760 10 0 EDAERN Nc1cc(C(=O)N2CCOC[C@@H]2CO)c(Br)cc1F ZINC000167902245 226202577 /nfs/dbraw/zinc/20/25/77/226202577.db2.gz MUNRJGVSAPOAQP-ZETCQYMHSA-N 0 0 333.157 1.004 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(Br)cc1N ZINC000167959810 226204275 /nfs/dbraw/zinc/20/42/75/226204275.db2.gz CCJCAZXQPAPTEO-PSASIEDQSA-N 0 0 329.194 1.253 10 0 EDAERN C[C@H](C[S@](C)=O)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000168699118 226220871 /nfs/dbraw/zinc/22/08/71/226220871.db2.gz IXDQCBLPDYCJFC-FWCARGHBSA-N 0 0 345.273 1.621 10 0 EDAERN O=S(=O)(NCc1cncs1)c1c(Cl)nc2sccn21 ZINC000169032287 226229877 /nfs/dbraw/zinc/22/98/77/226229877.db2.gz IQLLJHYHJUDNAV-UHFFFAOYSA-N 0 0 334.835 1.984 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000169043012 226229968 /nfs/dbraw/zinc/22/99/68/226229968.db2.gz OQHXHINNSFJRSV-NSHDSACASA-N 0 0 342.403 1.904 10 0 EDAERN NS(=O)(=O)Cc1ccc(NC(=O)c2cnccc2Cl)cc1 ZINC000169273140 226236934 /nfs/dbraw/zinc/23/69/34/226236934.db2.gz TYIYICXOOCYPQU-UHFFFAOYSA-N 0 0 325.777 1.776 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1Cc1ccccc1F ZINC000169800345 226586761 /nfs/dbraw/zinc/58/67/61/226586761.db2.gz HTDPBIQQSWSHQP-ZFWWWQNUSA-N 0 0 340.420 1.093 10 0 EDAERN CC(C)Nc1ncnc2c1ncn2C[C@@H](O)COC1CCOCC1 ZINC000127540361 287440973 /nfs/dbraw/zinc/44/09/73/287440973.db2.gz IVGMIXLYZKYJBR-GFCCVEGCSA-N 0 0 335.408 1.203 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCN2CCOCC2(C)C)cn1 ZINC000171371289 227044399 /nfs/dbraw/zinc/04/43/99/227044399.db2.gz NFEUJYWMFJFUEJ-OAHLLOKOSA-N 0 0 335.452 1.377 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)cn1 ZINC000171486565 227108116 /nfs/dbraw/zinc/10/81/16/227108116.db2.gz IVSVDBDZXNRNFR-OAHLLOKOSA-N 0 0 330.363 1.653 10 0 EDAERN O=C(Nc1cccc(Cl)c1-n1cccn1)C(=O)N1CCC[C@@H]1CO ZINC000121218618 221789004 /nfs/dbraw/zinc/78/90/04/221789004.db2.gz HZNGMCKKWZNMKB-LLVKDONJSA-N 0 0 348.790 1.448 10 0 EDAERN COC(=O)[C@@H](NC(=O)CNC(=O)c1cccs1)c1ccccc1 ZINC000122104714 222016089 /nfs/dbraw/zinc/01/60/89/222016089.db2.gz YFDPVRXVRGDVHY-AWEZNQCLSA-N 0 0 332.381 1.508 10 0 EDAERN COc1cc(OC)c(CN2CCO[C@@H](Cn3cccn3)C2)c(OC)c1 ZINC000122277208 222050456 /nfs/dbraw/zinc/05/04/56/222050456.db2.gz NOYSMNRMXJJKAS-OAHLLOKOSA-N 0 0 347.415 1.810 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(OCC(F)(F)F)n1 ZINC000122294736 222055523 /nfs/dbraw/zinc/05/55/23/222055523.db2.gz WGDYRCNTZRJEGQ-SECBINFHSA-N 0 0 341.293 1.359 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccnc(OCC(F)F)c1 ZINC000122804536 222161923 /nfs/dbraw/zinc/16/19/23/222161923.db2.gz IDVFIHLAIOFGSO-LLVKDONJSA-N 0 0 337.330 1.890 10 0 EDAERN C[C@@H]1CCCN(C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000123297390 222252105 /nfs/dbraw/zinc/25/21/05/222252105.db2.gz WOVOPWAQSPXVMR-OAHLLOKOSA-N 0 0 332.452 1.040 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000123435046 222276317 /nfs/dbraw/zinc/27/63/17/222276317.db2.gz CXOZNJHVPWRZLR-HNAYVOBHSA-N 0 0 344.411 1.981 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000123889407 222347750 /nfs/dbraw/zinc/34/77/50/222347750.db2.gz OCAAMPOLWWMQLQ-ZDUSSCGKSA-N 0 0 332.404 1.115 10 0 EDAERN Cn1cc(CN2CCCN(Cc3nnc(-c4ccco4)o3)CC2)cn1 ZINC000171595237 227163793 /nfs/dbraw/zinc/16/37/93/227163793.db2.gz PRZLCXGTECNSFM-UHFFFAOYSA-N 0 0 342.403 1.771 10 0 EDAERN COc1ncccc1NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000171837275 227309463 /nfs/dbraw/zinc/30/94/63/227309463.db2.gz LHIYBSPPKRAZKX-ZDUSSCGKSA-N 0 0 331.376 1.528 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cncc(O)c3)CC2)cs1 ZINC000171870898 227327000 /nfs/dbraw/zinc/32/70/00/227327000.db2.gz CNNNLFKCAWXXAF-UHFFFAOYSA-N 0 0 332.429 1.900 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@]3(C)CCCO3)CCO2)n1 ZINC000133227769 287536339 /nfs/dbraw/zinc/53/63/39/287536339.db2.gz BTWSXJSQYKJQND-RDJZCZTQSA-N 0 0 336.436 1.479 10 0 EDAERN CC(=O)NC1CN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000191730547 272981111 /nfs/dbraw/zinc/98/11/11/272981111.db2.gz GKTQJNLGIXTEFX-CYBMUJFWSA-N 0 0 343.221 1.009 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[S@](=O)Cc1nnnn1C(C)C ZINC000246093507 287727036 /nfs/dbraw/zinc/72/70/36/287727036.db2.gz HJZBXMXFYLOXNZ-NSCUQIJASA-N 0 0 341.481 1.682 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C(C)C ZINC000246152552 287729340 /nfs/dbraw/zinc/72/93/40/287729340.db2.gz FBPFTLOGSGFPHP-XJKCOSOUSA-N 0 0 348.447 1.196 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000246223747 287733133 /nfs/dbraw/zinc/73/31/33/287733133.db2.gz DSPOUSCOCLSIMS-IJEWVQPXSA-N 0 0 335.448 1.718 10 0 EDAERN CC1=C(C(=O)N2CCC[C@@H](n3cncn3)C2)[C@H](C)n2ncnc2N1C ZINC000192210552 275902371 /nfs/dbraw/zinc/90/23/71/275902371.db2.gz YCDZSBCKYJMEFU-QWHCGFSZSA-N 0 0 342.407 1.018 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000188695203 277019194 /nfs/dbraw/zinc/01/91/94/277019194.db2.gz QMHRMCIGSBYYPU-BXUZGUMPSA-N 0 0 325.796 1.326 10 0 EDAERN COC(=O)c1nc(I)c2cccnc2c1O ZINC000143655294 277172416 /nfs/dbraw/zinc/17/24/16/277172416.db2.gz MCXNAYNARJUQOC-UHFFFAOYSA-N 0 0 330.081 1.727 10 0 EDAERN CNC(=O)c1ccn([C@H]2CCCN(c3cnc4c(n3)CCCC4)C2)n1 ZINC000333538013 277261773 /nfs/dbraw/zinc/26/17/73/277261773.db2.gz NKEJWLBVRMWAKY-ZDUSSCGKSA-N 0 0 340.431 1.753 10 0 EDAERN C=CC(=O)NCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171805057 277818618 /nfs/dbraw/zinc/81/86/18/277818618.db2.gz FHUJONHMSIVOKI-YOEHRIQHSA-N 0 0 329.400 1.015 10 0 EDAERN Cn1nccc1C1CCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000122144754 279418355 /nfs/dbraw/zinc/41/83/55/279418355.db2.gz ULZFCEOGZQTENH-CQSZACIVSA-N 0 0 328.420 1.590 10 0 EDAERN CN(C(=O)c1cccc(C(N)=O)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136370496 288923261 /nfs/dbraw/zinc/92/32/61/288923261.db2.gz GAKSJVIHSWNEGG-OAHLLOKOSA-N 0 0 339.399 1.317 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ncccc1O ZINC000176522804 289699287 /nfs/dbraw/zinc/69/92/87/289699287.db2.gz BXIUCJHGNUXGKL-ZDUSSCGKSA-N 0 0 347.440 1.994 10 0 EDAERN Cc1csc2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c(=O)n12 ZINC000006823755 293072056 /nfs/dbraw/zinc/07/20/56/293072056.db2.gz MQUCEZINARPPNC-UHFFFAOYSA-N 0 0 341.458 1.793 10 0 EDAERN O=C(CN1CCO[C@H]2CCCC[C@@H]21)N1CC(=O)Nc2ccccc21 ZINC000070693525 295509414 /nfs/dbraw/zinc/50/94/14/295509414.db2.gz MLOFSWRZBHAYGF-HOTGVXAUSA-N 0 0 329.400 1.615 10 0 EDAERN O=C(c1c[nH]c(=S)[nH]1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000193103142 304590717 /nfs/dbraw/zinc/59/07/17/304590717.db2.gz ACHXYWTYPQQGGU-LLVKDONJSA-N 0 0 332.433 1.994 10 0 EDAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000113230899 300315024 /nfs/dbraw/zinc/31/50/24/300315024.db2.gz PQMIDMVIOJOUIW-QWHCGFSZSA-N 0 0 337.445 1.367 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)/C=C\c3cncc(O)c3)CC2)s1 ZINC000492470069 305592056 /nfs/dbraw/zinc/59/20/56/305592056.db2.gz DRDZWVGTYJBUNI-IHWYPQMZSA-N 0 0 344.440 1.910 10 0 EDAERN COCCNC(=O)CSc1nnc2c3cc(OC)ccc3[nH]c2n1 ZINC000004861463 440930590 /nfs/dbraw/zinc/93/05/90/440930590.db2.gz VJJNHIRJFODEPT-UHFFFAOYSA-N 0 0 347.400 1.369 10 0 EDAERN COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2nncn2C)cc1OC ZINC000046961923 441141882 /nfs/dbraw/zinc/14/18/82/441141882.db2.gz JAPGJTXHRIEDHX-QWRGUYRKSA-N 0 0 333.392 1.954 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)NC[C@@]12CCC[C@H]1N(C)C(=O)CC2 ZINC000097942868 441147518 /nfs/dbraw/zinc/14/75/18/441147518.db2.gz OZPOIXSUIYYCFQ-DOMZBBRYSA-N 0 0 341.433 1.361 10 0 EDAERN COc1ccc(CN(C)C(=O)CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000071813515 441158848 /nfs/dbraw/zinc/15/88/48/441158848.db2.gz NALBEFFAIDWEDR-MRXNPFEDSA-N 0 0 333.432 1.206 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000104781439 441207841 /nfs/dbraw/zinc/20/78/41/441207841.db2.gz NEIUKQQHAJYPDG-KBPBESRZSA-N 0 0 327.812 1.003 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2cccc(OCC(F)F)c2)C1 ZINC000104795485 441211115 /nfs/dbraw/zinc/21/11/15/441211115.db2.gz GQFBRAXCXPQNKW-AWEZNQCLSA-N 0 0 343.374 1.460 10 0 EDAERN Cc1cccc(N2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)c1C ZINC000104799653 441212706 /nfs/dbraw/zinc/21/27/06/441212706.db2.gz IPLZGEBSCARZNP-QGZVFWFLSA-N 0 0 346.475 1.466 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2COc3ccccc32)cc(S(N)(=O)=O)c1C ZINC000060482124 441245962 /nfs/dbraw/zinc/24/59/62/441245962.db2.gz GPDKHHYXFXMHQW-CQSZACIVSA-N 0 0 346.408 1.814 10 0 EDAERN COCC(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000047997092 441248302 /nfs/dbraw/zinc/24/83/02/441248302.db2.gz OVECSNHDXVANPK-LSDHHAIUSA-N 0 0 333.432 1.043 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000081450764 441271176 /nfs/dbraw/zinc/27/11/76/441271176.db2.gz CIVFJQULCMCVHB-SNVBAGLBSA-N 0 0 331.372 1.725 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000081450656 441271749 /nfs/dbraw/zinc/27/17/49/441271749.db2.gz PSMZZOKWRDGNNI-GFCCVEGCSA-N 0 0 345.403 1.393 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)NC3CCC(C)CC3)CC2)nn1 ZINC000105800666 441272920 /nfs/dbraw/zinc/27/29/20/441272920.db2.gz FCMZSJJLEDXSFD-UHFFFAOYSA-N 0 0 345.491 1.992 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3CCC[C@H](C)C3)CC2)nn1 ZINC000105801104 441273096 /nfs/dbraw/zinc/27/30/96/441273096.db2.gz LZXXAQZZUINNDZ-HNNXBMFYSA-N 0 0 331.464 1.556 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1nc2ccccc2n1C ZINC000061526290 441275315 /nfs/dbraw/zinc/27/53/15/441275315.db2.gz USAVXMNGODWWKP-LLVKDONJSA-N 0 0 326.356 1.601 10 0 EDAERN CCCN(CCC)C(=O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864066 441295883 /nfs/dbraw/zinc/29/58/83/441295883.db2.gz ZNVMUCASBYDLNS-AWEZNQCLSA-N 0 0 337.468 1.705 10 0 EDAERN CCCCNC(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105865249 441295885 /nfs/dbraw/zinc/29/58/85/441295885.db2.gz WACDLSIHGMVETC-KGLIPLIRSA-N 0 0 337.468 1.615 10 0 EDAERN Cc1ccc(OC[C@H](O)CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)c1 ZINC000105824485 441279659 /nfs/dbraw/zinc/27/96/59/441279659.db2.gz AARDATLOQJWPHW-KZNAEPCWSA-N 0 0 336.476 1.430 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)N2CCc3ccccc32)C[C@H]1C ZINC000105831656 441284572 /nfs/dbraw/zinc/28/45/72/441284572.db2.gz MWFZWECEZBDUOV-CVEARBPZSA-N 0 0 331.460 1.617 10 0 EDAERN COCCN1CCN(CC(=O)N2CCSc3ccccc32)C[C@H]1C ZINC000105832494 441285459 /nfs/dbraw/zinc/28/54/59/441285459.db2.gz CLGVEMVFPCMFDV-OAHLLOKOSA-N 0 0 349.500 1.778 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2cc(F)ccc2F)C[C@@H]1C ZINC000105834591 441287951 /nfs/dbraw/zinc/28/79/51/441287951.db2.gz XKUUDJIRVWFNBS-ZDUSSCGKSA-N 0 0 341.402 1.946 10 0 EDAERN O=c1nc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)[n-]c2ccsc21 ZINC000106176230 441328340 /nfs/dbraw/zinc/32/83/40/441328340.db2.gz GHJNFHWUBCJADY-LLVKDONJSA-N 0 0 330.417 1.488 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)CC1 ZINC000106396880 441338134 /nfs/dbraw/zinc/33/81/34/441338134.db2.gz CPOSFRIEZSYHIC-NVXWUHKLSA-N 0 0 348.443 1.572 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000106397502 441338824 /nfs/dbraw/zinc/33/88/24/441338824.db2.gz PCLFESNPSPBCIW-LBPRGKRZSA-N 0 0 334.445 1.667 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NC[C@]2(O)CCSC2)[C@@H]1c1ccccc1 ZINC000082966822 441339794 /nfs/dbraw/zinc/33/97/94/441339794.db2.gz UHUYPRIYLNXVFH-QILLFSRXSA-N 0 0 348.468 1.580 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000048986204 441340211 /nfs/dbraw/zinc/34/02/11/441340211.db2.gz SJHXSDBWPWBJNM-LLVKDONJSA-N 0 0 340.343 1.380 10 0 EDAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1cnc(Cl)c(Cl)c1 ZINC000081673702 441301556 /nfs/dbraw/zinc/30/15/56/441301556.db2.gz QVNINESKTWNPQB-ZJUUUORDSA-N 0 0 325.217 1.970 10 0 EDAERN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1ccc(F)c(F)c1 ZINC000105883049 441305479 /nfs/dbraw/zinc/30/54/79/441305479.db2.gz JLWUCEYUGGEXOU-LBPRGKRZSA-N 0 0 335.358 1.907 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccc(C)cc3)CCO2)c1 ZINC000105891404 441309151 /nfs/dbraw/zinc/30/91/51/441309151.db2.gz CIEQMMZKQGTFJZ-SFHVURJKSA-N 0 0 342.443 1.517 10 0 EDAERN Cc1ccccc1OC[C@H](O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105890633 441309386 /nfs/dbraw/zinc/30/93/86/441309386.db2.gz MYZVEXNIYBZGMT-SJORKVTESA-N 0 0 331.416 1.332 10 0 EDAERN Cc1cccc(C)c1-n1nnnc1CN1CCC[C@H](n2cncn2)C1 ZINC000105899110 441312033 /nfs/dbraw/zinc/31/20/33/441312033.db2.gz HVWDKMSYVYXPEF-HNNXBMFYSA-N 0 0 338.419 1.708 10 0 EDAERN CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@H](n3cncn3)C2)c1 ZINC000105904240 441314592 /nfs/dbraw/zinc/31/45/92/441314592.db2.gz NHCYMPANIHANOF-DLBZAZTESA-N 0 0 344.415 1.558 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)o1 ZINC000024685789 441317105 /nfs/dbraw/zinc/31/71/05/441317105.db2.gz LQKCCORWMHVVPE-JTQLQIEISA-N 0 0 342.355 1.025 10 0 EDAERN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925859 441317155 /nfs/dbraw/zinc/31/71/55/441317155.db2.gz LZFBCMLQLMJKDV-DOTOQJQBSA-N 0 0 331.460 1.617 10 0 EDAERN C[NH+](C)C[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)CCO1 ZINC000105924835 441317952 /nfs/dbraw/zinc/31/79/52/441317952.db2.gz FGXZGGKPJMSISZ-IEBWSBKVSA-N 0 0 345.487 1.833 10 0 EDAERN Cc1ccccc1CC(=O)Nc1cnn(C)c(=O)c1N1CCOCC1 ZINC000065307223 441416634 /nfs/dbraw/zinc/41/66/34/441416634.db2.gz RXIWJRLWHXBFSL-UHFFFAOYSA-N 0 0 342.399 1.107 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(=O)n4[n-]ccc4n3)C2)n1 ZINC000108867810 441479543 /nfs/dbraw/zinc/47/95/43/441479543.db2.gz BQMIQPDQDIABAL-AWEZNQCLSA-N 0 0 341.419 1.143 10 0 EDAERN CC(C)C[C@@H](C(=O)NC[C@@H](C)N1CCOCC1)N1CCCCC1=O ZINC000087087648 441480053 /nfs/dbraw/zinc/48/00/53/441480053.db2.gz HRIWUPBINFRFEL-CVEARBPZSA-N 0 0 339.480 1.251 10 0 EDAERN CN(c1nnnn1-c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000108946262 441482290 /nfs/dbraw/zinc/48/22/90/441482290.db2.gz UJIUHEDNGXLPJF-HNNXBMFYSA-N 0 0 336.403 1.558 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108456692 441454559 /nfs/dbraw/zinc/45/45/59/441454559.db2.gz GZOUNTNVMAHENA-BZUAXINKSA-N 0 0 335.375 1.907 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000089373398 441543759 /nfs/dbraw/zinc/54/37/59/441543759.db2.gz XDKARQDBNOXTKU-NEPJUHHUSA-N 0 0 331.384 1.961 10 0 EDAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076098183 441597312 /nfs/dbraw/zinc/59/73/12/441597312.db2.gz VVIHWMDGFXEHQQ-XVKPBYJWSA-N 0 0 327.178 1.921 10 0 EDAERN CCC[C@@H](C)CS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000113291804 441598487 /nfs/dbraw/zinc/59/84/87/441598487.db2.gz NBKVSYAYAHGOFF-CJNGLKHVSA-N 0 0 343.493 1.967 10 0 EDAERN CCC(CC)CS(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000113292613 441598969 /nfs/dbraw/zinc/59/89/69/441598969.db2.gz WJBIIGCFPPFTBC-HNNXBMFYSA-N 0 0 329.466 1.658 10 0 EDAERN COC(=O)CC[C@H](C(=O)OC)c1cc(OC)c(OC)c(OC)c1 ZINC000034216365 441599305 /nfs/dbraw/zinc/59/93/05/441599305.db2.gz MOQNIHGQYUBHAM-NSHDSACASA-N 0 0 326.345 1.922 10 0 EDAERN Cc1cnc2c(cccc2S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000113298881 441600094 /nfs/dbraw/zinc/60/00/94/441600094.db2.gz FHHCQHCVAFVHFM-ZDUSSCGKSA-N 0 0 343.412 1.428 10 0 EDAERN CC(C)[C@@H](C)NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000055071753 441614990 /nfs/dbraw/zinc/61/49/90/441614990.db2.gz LDDAAPSERRYQLH-MRXNPFEDSA-N 0 0 346.475 1.675 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)o1 ZINC000113885912 441626420 /nfs/dbraw/zinc/62/64/20/441626420.db2.gz GTKQJOQSDOKEMQ-NSHDSACASA-N 0 0 338.389 1.278 10 0 EDAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113886735 441626789 /nfs/dbraw/zinc/62/67/89/441626789.db2.gz NLOLXRBZYMEKKE-OAHLLOKOSA-N 0 0 338.367 1.760 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1cccc2cnccc21)N1CCOCC1 ZINC000041600664 441662591 /nfs/dbraw/zinc/66/25/91/441662591.db2.gz DJJWGBFZPBLVGG-ZDUSSCGKSA-N 0 0 342.399 1.010 10 0 EDAERN CCC[C@H](NC[C@@H]1CCCN1c1cc(NC)ncn1)C(=O)OCC ZINC000114802784 441685501 /nfs/dbraw/zinc/68/55/01/441685501.db2.gz AYNVWMZKBLEBJX-KBPBESRZSA-N 0 0 335.452 1.809 10 0 EDAERN CCC[C@H](NC[C@H]1CCCN1c1cc(NC)ncn1)C(=O)OCC ZINC000114802787 441685534 /nfs/dbraw/zinc/68/55/34/441685534.db2.gz AYNVWMZKBLEBJX-KGLIPLIRSA-N 0 0 335.452 1.809 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2 ZINC000114863072 441692919 /nfs/dbraw/zinc/69/29/19/441692919.db2.gz JOFVVMSERITHKA-GHMZBOCLSA-N 0 0 337.424 1.185 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1Br)[C@H]1CCCO1 ZINC000091194649 441672150 /nfs/dbraw/zinc/67/21/50/441672150.db2.gz GCWXXSVFFTZGFZ-PSASIEDQSA-N 0 0 342.193 1.466 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnc(F)c2)ncn1 ZINC000173416950 441740964 /nfs/dbraw/zinc/74/09/64/441740964.db2.gz BSIAOTMZDNKSSV-LBPRGKRZSA-N 0 0 330.367 1.451 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000042647181 441763869 /nfs/dbraw/zinc/76/38/69/441763869.db2.gz ZLIJNLPJWZHZIV-HOTGVXAUSA-N 0 0 344.411 1.589 10 0 EDAERN CC[C@@H](CO)NC(=O)Cc1ccc(NCc2nnnn2C(C)C)cc1 ZINC000173478732 441765047 /nfs/dbraw/zinc/76/50/47/441765047.db2.gz HYQVBYZUMHUIAH-AWEZNQCLSA-N 0 0 346.435 1.296 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCC(=O)c3ccc(C)cc3)CCO2)[nH]1 ZINC000173528674 441779810 /nfs/dbraw/zinc/77/98/10/441779810.db2.gz KUIDWMUASSDHGD-MRXNPFEDSA-N 0 0 342.399 1.985 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)COc3ccccc3Cl)CCO2)[nH]1 ZINC000173533160 441781559 /nfs/dbraw/zinc/78/15/59/441781559.db2.gz QCVAQVHAQZVVIN-ZDUSSCGKSA-N 0 0 336.779 1.745 10 0 EDAERN CCOc1ccc(CC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173548088 441787667 /nfs/dbraw/zinc/78/76/67/441787667.db2.gz WQTBYHDSXNWBDH-OAHLLOKOSA-N 0 0 330.388 1.654 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)cn1 ZINC000116115990 441794600 /nfs/dbraw/zinc/79/46/00/441794600.db2.gz YIWMPVOMEVXOJG-XJKSGUPXSA-N 0 0 325.368 1.518 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116121146 441795338 /nfs/dbraw/zinc/79/53/38/441795338.db2.gz VQULSAVSHFXXIE-INIZCTEOSA-N 0 0 326.400 1.686 10 0 EDAERN CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116418636 441821136 /nfs/dbraw/zinc/82/11/36/441821136.db2.gz OIIFEAQRRPKYJT-AWEZNQCLSA-N 0 0 334.420 1.337 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1C ZINC000173603659 441802317 /nfs/dbraw/zinc/80/23/17/441802317.db2.gz XYNHXDVOIZSXQQ-GFCCVEGCSA-N 0 0 331.376 1.474 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccnc1NC(C)C)CC2 ZINC000173609956 441803224 /nfs/dbraw/zinc/80/32/24/441803224.db2.gz WSJHFOPVGLVBFD-LBPRGKRZSA-N 0 0 328.420 1.801 10 0 EDAERN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1nnc2n1CCCC2 ZINC000173627676 441808506 /nfs/dbraw/zinc/80/85/06/441808506.db2.gz VRHPLCMONRZCPX-QWHCGFSZSA-N 0 0 343.435 1.194 10 0 EDAERN COC(=O)c1cc(SC)c2nc(C)nc(N3CCOCC3)c2n1 ZINC000139325488 441812368 /nfs/dbraw/zinc/81/23/68/441812368.db2.gz OESRRMQSRRTVNK-UHFFFAOYSA-N 0 0 334.401 1.678 10 0 EDAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)o1 ZINC000116328606 441812691 /nfs/dbraw/zinc/81/26/91/441812691.db2.gz KAOCSIYAKUQUOU-NSHDSACASA-N 0 0 334.397 1.913 10 0 EDAERN O=C(NCCCNc1ccccn1)N1CCC[C@H](n2cncn2)C1 ZINC000173955337 441868306 /nfs/dbraw/zinc/86/83/06/441868306.db2.gz UUNYBWPMTYRQLY-AWEZNQCLSA-N 0 0 329.408 1.522 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)N(C)Cc3ccccc3C)CCO2)[nH]1 ZINC000173679912 441822146 /nfs/dbraw/zinc/82/21/46/441822146.db2.gz DTNKSMFHCKTXEG-INIZCTEOSA-N 0 0 343.431 1.453 10 0 EDAERN COc1cccc(NC(=O)CCN2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000173717446 441828807 /nfs/dbraw/zinc/82/88/07/441828807.db2.gz VOPWRRKIRFSQGZ-HNNXBMFYSA-N 0 0 345.403 1.524 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)ccc1C(N)=O ZINC000116576491 441831184 /nfs/dbraw/zinc/83/11/84/441831184.db2.gz XGYKRTLTJLOADL-CQSZACIVSA-N 0 0 341.367 1.989 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116586858 441831532 /nfs/dbraw/zinc/83/15/32/441831532.db2.gz XVTPOLOXQASDTC-CQSZACIVSA-N 0 0 326.400 1.992 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000173809666 441842845 /nfs/dbraw/zinc/84/28/45/441842845.db2.gz KUAKYSBXZHFPLF-LSDHHAIUSA-N 0 0 327.384 1.883 10 0 EDAERN CCOCCO[C@@H](C)C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116777945 441844011 /nfs/dbraw/zinc/84/40/11/441844011.db2.gz XCTKXSPFJOQIOI-XJKSGUPXSA-N 0 0 338.452 1.575 10 0 EDAERN C[C@@H]1CCN(c2ncnc3c2c(Br)nn3C)C[C@@H]1O ZINC000092978119 441845440 /nfs/dbraw/zinc/84/54/40/441845440.db2.gz ZHPOWJKGURSTID-SFYZADRCSA-N 0 0 326.198 1.333 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)[C@H](C)n1cncn1)c1ccccc1C ZINC000173817522 441845991 /nfs/dbraw/zinc/84/59/91/441845991.db2.gz DPPLYDNQPNJLDO-ZFWWWQNUSA-N 0 0 330.388 1.958 10 0 EDAERN C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1N1CCOCC1 ZINC000173837812 441848723 /nfs/dbraw/zinc/84/87/23/441848723.db2.gz KQZKDKSRHWITQR-HNAYVOBHSA-N 0 0 328.456 1.897 10 0 EDAERN C[C@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000173882596 441856291 /nfs/dbraw/zinc/85/62/91/441856291.db2.gz AQELNZMNKXZPFF-FUHWJXTLSA-N 0 0 332.444 1.772 10 0 EDAERN Cc1nccn1CCCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173894561 441856960 /nfs/dbraw/zinc/85/69/60/441856960.db2.gz SAXNKJDMUMTUKR-INIZCTEOSA-N 0 0 335.452 1.088 10 0 EDAERN COc1cccc(SCC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000174332522 441914031 /nfs/dbraw/zinc/91/40/31/441914031.db2.gz CAGWMPSKRYMGEU-UONOGXRCSA-N 0 0 338.473 1.701 10 0 EDAERN Cn1cc(N2CCC[C@@H](NC3=NS(=O)(=O)c4ccccc43)C2)cn1 ZINC000078367808 441925025 /nfs/dbraw/zinc/92/50/25/441925025.db2.gz DOLFHGJJVLYACE-GFCCVEGCSA-N 0 0 345.428 1.128 10 0 EDAERN Cc1nc(C)c(CCC(=O)N[C@@H]2CCOc3ccccc32)c(=O)[nH]1 ZINC000143903027 441876698 /nfs/dbraw/zinc/87/66/98/441876698.db2.gz OBCIGHDYONBCDL-OAHLLOKOSA-N 0 0 327.384 1.959 10 0 EDAERN O=C1N[C@@]2(C(=O)Nc3ccc(-c4ccccc4)cc32)N2CCOC[C@@H]12 ZINC000093883622 441898450 /nfs/dbraw/zinc/89/84/50/441898450.db2.gz QCBYXGCRZSCUOG-QFBILLFUSA-N 0 0 335.363 1.289 10 0 EDAERN COc1ncc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1C(N)=O ZINC000125062165 441979527 /nfs/dbraw/zinc/97/95/27/441979527.db2.gz RBFGSSXPZVXFPG-NEPJUHHUSA-N 0 0 342.399 1.867 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(O)c1 ZINC000125031099 441976597 /nfs/dbraw/zinc/97/65/97/441976597.db2.gz SBXFMPLENZCOFG-GFCCVEGCSA-N 0 0 328.372 1.590 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000150730948 441938106 /nfs/dbraw/zinc/93/81/06/441938106.db2.gz JOVDRMPONFFLDS-VIFPVBQESA-N 0 0 345.384 1.894 10 0 EDAERN C[C@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)N1CCOCC1 ZINC000174590727 441941634 /nfs/dbraw/zinc/94/16/34/441941634.db2.gz IWPKTOYRZWVDJS-CQSZACIVSA-N 0 0 348.447 1.424 10 0 EDAERN CCCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991796 441991744 /nfs/dbraw/zinc/99/17/44/441991744.db2.gz IQRIZILNXWXBAV-UONOGXRCSA-N 0 0 336.436 1.545 10 0 EDAERN Cc1ccccc1O[C@H](C)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175116513 442006050 /nfs/dbraw/zinc/00/60/50/442006050.db2.gz VZMHMANRIPPDSV-KGLIPLIRSA-N 0 0 329.404 1.668 10 0 EDAERN CCC[C@@H](CCO)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000175133140 442008811 /nfs/dbraw/zinc/00/88/11/442008811.db2.gz SRWHVJHANFHRTO-KBPBESRZSA-N 0 0 337.468 1.814 10 0 EDAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000151176476 442018699 /nfs/dbraw/zinc/01/86/99/442018699.db2.gz JKAXTSNJUWHZBA-QWHCGFSZSA-N 0 0 333.436 1.583 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccsc3)CCO2)c1 ZINC000125362390 442014071 /nfs/dbraw/zinc/01/40/71/442014071.db2.gz ORKWOHBAEWEVAN-CYBMUJFWSA-N 0 0 334.401 1.119 10 0 EDAERN CCc1cc(NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n(C)n1 ZINC000151317941 442041914 /nfs/dbraw/zinc/04/19/14/442041914.db2.gz RLVHYHURPGMJDM-CQSZACIVSA-N 0 0 343.435 1.905 10 0 EDAERN CC(=O)N1CC[C@@H](CN(C)C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000120544477 442092204 /nfs/dbraw/zinc/09/22/04/442092204.db2.gz MUVIAQOXNWJCBX-DOTOQJQBSA-N 0 0 339.480 1.500 10 0 EDAERN COc1ccc(CCNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000175611058 442093889 /nfs/dbraw/zinc/09/38/89/442093889.db2.gz FINSPRJAXFZXNO-QAPCUYQASA-N 0 0 347.459 1.600 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000175333646 442043873 /nfs/dbraw/zinc/04/38/73/442043873.db2.gz FFAANDUYJDHIBY-HNNXBMFYSA-N 0 0 343.431 1.793 10 0 EDAERN Cc1cc(N2CC[C@H](NC(=O)N[C@H](C)c3ccc(C)o3)C2=O)n(C)n1 ZINC000175339610 442044466 /nfs/dbraw/zinc/04/44/66/442044466.db2.gz IHQWZFCZNKEHBB-OLZOCXBDSA-N 0 0 345.403 1.796 10 0 EDAERN C[C@H](CS(=O)(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000151380125 442051478 /nfs/dbraw/zinc/05/14/78/442051478.db2.gz DXBNEWGABIBZSX-PBHICJAKSA-N 0 0 338.473 1.573 10 0 EDAERN Cn1cnnc1[C@@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000120406045 442064916 /nfs/dbraw/zinc/06/49/16/442064916.db2.gz OGBCWBRGWPGZFS-OLZOCXBDSA-N 0 0 349.435 1.736 10 0 EDAERN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H]1C[C@H]1C)CC2 ZINC000162137309 442068477 /nfs/dbraw/zinc/06/84/77/442068477.db2.gz RXGJPTWTYIXIGH-DOMZBBRYSA-N 0 0 346.427 1.893 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000162223693 442075833 /nfs/dbraw/zinc/07/58/33/442075833.db2.gz MKUVZHAUSWZRFR-QWHCGFSZSA-N 0 0 325.430 1.955 10 0 EDAERN COC[C@@H](NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)c1ccco1 ZINC000175543979 442083172 /nfs/dbraw/zinc/08/31/72/442083172.db2.gz QWLPBMMPOYXKJV-QWHCGFSZSA-N 0 0 347.419 1.996 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000126152283 442084076 /nfs/dbraw/zinc/08/40/76/442084076.db2.gz ZAELXMLCYKYNKT-SNVBAGLBSA-N 0 0 344.408 1.470 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC[S@@](=O)C(C)(C)C ZINC000175791508 442122945 /nfs/dbraw/zinc/12/29/45/442122945.db2.gz KJOWDGQREAMARX-RKFFSXRUSA-N 0 0 327.454 1.268 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000151683240 442106376 /nfs/dbraw/zinc/10/63/76/442106376.db2.gz BVFLZPLGRQWTLJ-MRXNPFEDSA-N 0 0 349.479 2.000 10 0 EDAERN COc1ccccc1C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)C(C)C ZINC000176052160 442167212 /nfs/dbraw/zinc/16/72/12/442167212.db2.gz ZPQHKTATOHTEFM-IRXDYDNUSA-N 0 0 349.475 1.892 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1ccncc1 ZINC000127076076 442168065 /nfs/dbraw/zinc/16/80/65/442168065.db2.gz QZOJUWPXRNAHBC-CYBMUJFWSA-N 0 0 347.444 1.704 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000176064980 442169704 /nfs/dbraw/zinc/16/97/04/442169704.db2.gz GNIBBVTZSNHFMA-GFCCVEGCSA-N 0 0 346.362 1.520 10 0 EDAERN O=C(NCc1ccc(O)c(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000163700508 442179544 /nfs/dbraw/zinc/17/95/44/442179544.db2.gz WDEMJEUXPFFPIE-CYBMUJFWSA-N 0 0 334.351 1.338 10 0 EDAERN O=C(Nc1ccc(Cc2ccncc2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121148119 442183801 /nfs/dbraw/zinc/18/38/01/442183801.db2.gz BSUFLLHXUWIPSI-QGZVFWFLSA-N 0 0 339.395 1.594 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(CO)c(F)c1 ZINC000176200802 442189123 /nfs/dbraw/zinc/18/91/23/442189123.db2.gz IBTVEUKXQDOTBT-CQSZACIVSA-N 0 0 347.394 1.806 10 0 EDAERN Cc1cnn(CCNC(=O)N(CCO)[C@H]2CCc3ccccc32)c1 ZINC000176248151 442199675 /nfs/dbraw/zinc/19/96/75/442199675.db2.gz ONRBZJYSVPEEFT-KRWDZBQOSA-N 0 0 328.416 1.883 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000121289816 442200203 /nfs/dbraw/zinc/20/02/03/442200203.db2.gz VPQFPPPYSAWGQA-ZDUSSCGKSA-N 0 0 337.807 1.714 10 0 EDAERN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120932351 442154119 /nfs/dbraw/zinc/15/41/19/442154119.db2.gz VGHJBSSFJVLHJZ-NSHDSACASA-N 0 0 325.796 1.328 10 0 EDAERN COc1ccccc1NCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126937780 442155968 /nfs/dbraw/zinc/15/59/68/442155968.db2.gz QIPJSFIIBLWIGN-CQSZACIVSA-N 0 0 329.404 1.637 10 0 EDAERN Cc1cnn(CCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000152058512 442159331 /nfs/dbraw/zinc/15/93/31/442159331.db2.gz ILVBOOOFHBKHLS-UHFFFAOYSA-N 0 0 341.820 1.678 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1OCC1CCOCC1 ZINC000128174829 442250110 /nfs/dbraw/zinc/25/01/10/442250110.db2.gz DERBUMKMIMFRQI-CQSZACIVSA-N 0 0 332.400 1.875 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000176294241 442206217 /nfs/dbraw/zinc/20/62/17/442206217.db2.gz ICHICVJDKRBAGX-INIZCTEOSA-N 0 0 343.435 1.919 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cnn4c3CCCC4)C2)n1 ZINC000127478695 442206640 /nfs/dbraw/zinc/20/66/40/442206640.db2.gz KDOPVJLUBALTOB-OAHLLOKOSA-N 0 0 342.447 1.980 10 0 EDAERN COc1ccc([C@H](C)CCNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000176438144 442221842 /nfs/dbraw/zinc/22/18/42/442221842.db2.gz QITHQTHIZAEKRY-PBHICJAKSA-N 0 0 335.448 1.819 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000176437095 442221885 /nfs/dbraw/zinc/22/18/85/442221885.db2.gz IMWVHNOOYAZZOY-OAHLLOKOSA-N 0 0 330.388 1.471 10 0 EDAERN CCCN(CC(F)F)C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000152767981 442242343 /nfs/dbraw/zinc/24/23/43/442242343.db2.gz REKQMLYEWVZGEZ-JTQLQIEISA-N 0 0 331.367 1.946 10 0 EDAERN CNC(=O)CCN(C)C(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000170785140 442264245 /nfs/dbraw/zinc/26/42/45/442264245.db2.gz IAVMOQINAUACFG-MRXNPFEDSA-N 0 0 333.432 1.344 10 0 EDAERN CC[C@@H](C)CS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128411090 442264540 /nfs/dbraw/zinc/26/45/40/442264540.db2.gz INGBRTFBHBGXSD-ZIAGYGMSSA-N 0 0 326.466 1.753 10 0 EDAERN C[C@@H]1CN(C(C)(C)CNC(=O)NC[C@@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000153180153 442265764 /nfs/dbraw/zinc/26/57/64/442265764.db2.gz RWIDMYYTCKBSKZ-FZKCQIBNSA-N 0 0 341.496 1.725 10 0 EDAERN CC(C)c1nnc(CCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000176925386 442274424 /nfs/dbraw/zinc/27/44/24/442274424.db2.gz LBWGYHJIBKDQSQ-ZIAGYGMSSA-N 0 0 336.436 1.305 10 0 EDAERN CC(=O)c1ccc(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000176931867 442275115 /nfs/dbraw/zinc/27/51/15/442275115.db2.gz XXFUDJRJHZURPP-AWEZNQCLSA-N 0 0 329.360 1.921 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)c1 ZINC000176992007 442281481 /nfs/dbraw/zinc/28/14/81/442281481.db2.gz LCIOWRDEPULBPB-JKSUJKDBSA-N 0 0 338.473 1.645 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000171043585 442303021 /nfs/dbraw/zinc/30/30/21/442303021.db2.gz OBXYHBUEQYSYPC-HNNXBMFYSA-N 0 0 341.386 1.928 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177141322 442303931 /nfs/dbraw/zinc/30/39/31/442303931.db2.gz MTMZLJZXURJVDR-AWEZNQCLSA-N 0 0 329.404 1.416 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)SC[C@H](O)CO ZINC000177419959 442339392 /nfs/dbraw/zinc/33/93/92/442339392.db2.gz JMOMNWMAZJEXLM-DZGCQCFKSA-N 0 0 349.456 1.903 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000177155523 442306516 /nfs/dbraw/zinc/30/65/16/442306516.db2.gz XUQWYZPWJYINLQ-HNNXBMFYSA-N 0 0 337.387 1.472 10 0 EDAERN CN(CC(C)(C)O)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000177164266 442308383 /nfs/dbraw/zinc/30/83/83/442308383.db2.gz JOFMZXCWDFHGON-LBPRGKRZSA-N 0 0 326.418 1.317 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000177174596 442309559 /nfs/dbraw/zinc/30/95/59/442309559.db2.gz AXWPURBJOGNMQI-MRXNPFEDSA-N 0 0 347.463 1.576 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccccc1C)CC2 ZINC000177639793 442365287 /nfs/dbraw/zinc/36/52/87/442365287.db2.gz JUPBFNHOCFJEQX-LBPRGKRZSA-N 0 0 327.388 1.219 10 0 EDAERN COCCOc1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000177695719 442371931 /nfs/dbraw/zinc/37/19/31/442371931.db2.gz LXNVMHMYKXOHRF-HNNXBMFYSA-N 0 0 330.388 1.877 10 0 EDAERN COCCN1CCN(C(=O)CCc2nc(CSC)no2)C[C@H]1C ZINC000131648615 442377341 /nfs/dbraw/zinc/37/73/41/442377341.db2.gz NITWHWNJNHDWBZ-GFCCVEGCSA-N 0 0 342.465 1.044 10 0 EDAERN COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171852614 442385009 /nfs/dbraw/zinc/38/50/09/442385009.db2.gz QSZLBINCKIIDFN-FRFSOERESA-N 0 0 346.427 1.864 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NC[C@H]3CCCOC3)CC2)cn1 ZINC000171851647 442385112 /nfs/dbraw/zinc/38/51/12/442385112.db2.gz PYQIGCCEDCEXNB-MRXNPFEDSA-N 0 0 349.479 1.547 10 0 EDAERN Cc1cc(F)cc2c(O)c(C(=O)NC[C@H](C)N3CCOCC3)cnc12 ZINC000155426003 442397675 /nfs/dbraw/zinc/39/76/75/442397675.db2.gz AAQVYGADGRULIN-LBPRGKRZSA-N 0 0 347.390 1.426 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCCn3ncnc32)c1C ZINC000177545800 442355615 /nfs/dbraw/zinc/35/56/15/442355615.db2.gz OVJRCWVVRFVPBU-LLVKDONJSA-N 0 0 331.376 1.665 10 0 EDAERN O=C(Nc1cccc(-c2nnco2)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177546336 442355755 /nfs/dbraw/zinc/35/57/55/442355755.db2.gz COIHRLRXVYDQQT-GXTWGEPZSA-N 0 0 344.371 1.342 10 0 EDAERN O=C(Nc1cccc(-n2ccnc2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177551203 442356646 /nfs/dbraw/zinc/35/66/46/442356646.db2.gz SOHRAHGGZQRMBY-CZUORRHYSA-N 0 0 342.399 1.478 10 0 EDAERN C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CCS1 ZINC000171571077 442358142 /nfs/dbraw/zinc/35/81/42/442358142.db2.gz RHDQEZKAUYDMNW-UONOGXRCSA-N 0 0 325.478 1.878 10 0 EDAERN O=C(CCc1ccc2c(c1)OCCO2)N1CCC[C@@H](n2cncn2)C1 ZINC000171579154 442358728 /nfs/dbraw/zinc/35/87/28/442358728.db2.gz UFQVZSLAVQAXJY-OAHLLOKOSA-N 0 0 342.399 1.846 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177579435 442359460 /nfs/dbraw/zinc/35/94/60/442359460.db2.gz WOTHDATUVYTYNC-NEPJUHHUSA-N 0 0 335.408 1.629 10 0 EDAERN COC(=O)c1ccc(CN2CCCN(Cc3noc(C)n3)CC2)o1 ZINC000171592511 442360834 /nfs/dbraw/zinc/36/08/34/442360834.db2.gz MPMKNYRKHTVZJI-UHFFFAOYSA-N 0 0 334.376 1.466 10 0 EDAERN Cc1cnn(C[C@H]2CN([C@H](C(=O)N(C)C)c3ccccc3)CCO2)c1 ZINC000171608219 442362232 /nfs/dbraw/zinc/36/22/32/442362232.db2.gz SQVGRKQWJQEOJV-MSOLQXFVSA-N 0 0 342.443 1.722 10 0 EDAERN COC[C@@H](C)CNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000172071324 442406518 /nfs/dbraw/zinc/40/65/18/442406518.db2.gz VPZUIKCGVGHBPY-ZDUSSCGKSA-N 0 0 337.468 1.147 10 0 EDAERN COc1ccc(CCC(=O)N2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000155560655 442408388 /nfs/dbraw/zinc/40/83/88/442408388.db2.gz OICAGLISVBXWSG-HNNXBMFYSA-N 0 0 331.372 1.919 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NC[C@@]3(C)CCCO3)CCO2)n1 ZINC000133228385 442409385 /nfs/dbraw/zinc/40/93/85/442409385.db2.gz BTWSXJSQYKJQND-NVXWUHKLSA-N 0 0 336.436 1.479 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)N[C@H]3CCCOC3)CC2)cn1 ZINC000172227161 442426625 /nfs/dbraw/zinc/42/66/25/442426625.db2.gz VQEXGARVNPIQCE-INIZCTEOSA-N 0 0 349.479 1.644 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C1CCCC1 ZINC000172247803 442429849 /nfs/dbraw/zinc/42/98/49/442429849.db2.gz XCJYFDJPKJVXQJ-NSHDSACASA-N 0 0 328.376 1.296 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccc(OC(F)F)cc1)C(C)C ZINC000178453072 442435341 /nfs/dbraw/zinc/43/53/41/442435341.db2.gz PMMKEYXUGYESNZ-GFCCVEGCSA-N 0 0 329.347 1.858 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)N2CCCc3ccc(F)cc32)c1 ZINC000172312548 442443093 /nfs/dbraw/zinc/44/30/93/442443093.db2.gz OSZGZJDBJRJTPY-UHFFFAOYSA-N 0 0 330.363 1.426 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000133976931 442443301 /nfs/dbraw/zinc/44/33/01/442443301.db2.gz GNPOPWFQTHYSOP-LXZKKBNFSA-N 0 0 345.443 1.568 10 0 EDAERN CC(C)(CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCOCC1 ZINC000156100693 442447826 /nfs/dbraw/zinc/44/78/26/442447826.db2.gz GDVOCGTWBWVQLS-QAPCUYQASA-N 0 0 339.480 1.434 10 0 EDAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCC(Cn2cccn2)CC1 ZINC000172394327 442453919 /nfs/dbraw/zinc/45/39/19/442453919.db2.gz UWDLKMLCZGTZSZ-UHFFFAOYSA-N 0 0 337.387 1.411 10 0 EDAERN COC(=O)C[C@H]1CCCN1C(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000178806172 442490141 /nfs/dbraw/zinc/49/01/41/442490141.db2.gz LYICQVADSHFTFB-CZUORRHYSA-N 0 0 326.437 1.727 10 0 EDAERN COCCCOC1CN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)C1 ZINC000179731362 442495225 /nfs/dbraw/zinc/49/52/25/442495225.db2.gz ANHJLPYCZMHQMH-LBPRGKRZSA-N 0 0 337.424 1.122 10 0 EDAERN Cc1c(Cl)cccc1OCC(=O)NC[C@@H](C)N1CCOCC1 ZINC000134583983 442497577 /nfs/dbraw/zinc/49/75/77/442497577.db2.gz TUPCPPNMTHYVJJ-GFCCVEGCSA-N 0 0 326.824 1.864 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000156607472 442501249 /nfs/dbraw/zinc/50/12/49/442501249.db2.gz MJKMRIAJFLJWSS-OAHLLOKOSA-N 0 0 345.378 1.431 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)C(C)C ZINC000178847050 442501515 /nfs/dbraw/zinc/50/15/15/442501515.db2.gz QYRNXNGCJAJWOV-TZMCWYRMSA-N 0 0 325.453 1.300 10 0 EDAERN CC[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCN1CCOC ZINC000191738745 442503169 /nfs/dbraw/zinc/50/31/69/442503169.db2.gz FXTAMADEFRVUII-CQSZACIVSA-N 0 0 334.464 1.861 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cnc(-c2ccccc2)nc1C)C(C)C ZINC000178855814 442503903 /nfs/dbraw/zinc/50/39/03/442503903.db2.gz WBCFLBPFUMASSB-OAHLLOKOSA-N 0 0 326.400 1.952 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)n1 ZINC000134322206 442469298 /nfs/dbraw/zinc/46/92/98/442469298.db2.gz AXOXSNZBQMEUPE-DGCLKSJQSA-N 0 0 344.419 1.426 10 0 EDAERN CCCCN(CC)c1ccc(C(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000186312046 442509453 /nfs/dbraw/zinc/50/94/53/442509453.db2.gz RYONQBDZVWDRIH-UHFFFAOYSA-N 0 0 347.459 1.900 10 0 EDAERN C[C@@H]1CCS(=O)(=O)CCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000191613065 442476775 /nfs/dbraw/zinc/47/67/75/442476775.db2.gz FACXHGCFGOYTGY-RUNBWSAHSA-N 0 0 329.443 1.496 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cnc2ccccc2n1 ZINC000172518727 442477865 /nfs/dbraw/zinc/47/78/65/442477865.db2.gz UPUWZVDZJFDIFD-CYBMUJFWSA-N 0 0 334.383 1.819 10 0 EDAERN CCOc1ccccc1C(=O)N1CCN(C(=O)C[C@@H](O)C(C)C)CC1 ZINC000156430394 442479814 /nfs/dbraw/zinc/47/98/14/442479814.db2.gz OKTWCDSACKFARJ-MRXNPFEDSA-N 0 0 348.443 1.777 10 0 EDAERN O=C(c1cc(-c2ccncc2)on1)N1CC[C@H](N2CCOCC2)C1 ZINC000172767750 442538497 /nfs/dbraw/zinc/53/84/97/442538497.db2.gz CQBKXVUXDAEBLL-AWEZNQCLSA-N 0 0 328.372 1.283 10 0 EDAERN COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC000186487626 442544424 /nfs/dbraw/zinc/54/44/24/442544424.db2.gz PYANHNVPFQROCF-OLZOCXBDSA-N 0 0 332.404 1.058 10 0 EDAERN COCCN1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000157148859 442555177 /nfs/dbraw/zinc/55/51/77/442555177.db2.gz NSFIHZOHZXOZLS-ZDUSSCGKSA-N 0 0 348.472 1.941 10 0 EDAERN Cn1cnc(-c2ccc(C(=O)N3CC[C@@H](c4cnn(C)c4)C3)cc2)n1 ZINC000180197074 442557417 /nfs/dbraw/zinc/55/74/17/442557417.db2.gz BMOQTSPKCSKXJB-OAHLLOKOSA-N 0 0 336.399 1.845 10 0 EDAERN COCc1ccccc1CNC(=O)CN1CCC[C@]1(C)C(=O)OC ZINC000186360685 442518870 /nfs/dbraw/zinc/51/88/70/442518870.db2.gz BVOXVUVWSMONBM-GOSISDBHSA-N 0 0 334.416 1.477 10 0 EDAERN Cc1cnc([C@H](C)CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)s1 ZINC000186366321 442519955 /nfs/dbraw/zinc/51/99/55/442519955.db2.gz FEQNHRBTKOHFFS-RISCZKNCSA-N 0 0 346.456 1.951 10 0 EDAERN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000156795780 442520688 /nfs/dbraw/zinc/52/06/88/442520688.db2.gz HWIKBWVBJUTMHC-NSHDSACASA-N 0 0 337.742 1.660 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)CCc1ccc(OC)cc1 ZINC000156899694 442531518 /nfs/dbraw/zinc/53/15/18/442531518.db2.gz WUNKSKRTEFAYRQ-CZUORRHYSA-N 0 0 333.432 1.936 10 0 EDAERN CC[C@](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)(C(N)=O)C(C)C ZINC000180282508 442573619 /nfs/dbraw/zinc/57/36/19/442573619.db2.gz VFFSRTIVSIVUNT-SJKOYZFVSA-N 0 0 334.420 1.603 10 0 EDAERN COc1ccc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1F ZINC000135300359 442576905 /nfs/dbraw/zinc/57/69/05/442576905.db2.gz XBHURWSLARLOAZ-CQSZACIVSA-N 0 0 344.390 1.952 10 0 EDAERN Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)on1 ZINC000179128427 442578048 /nfs/dbraw/zinc/57/80/48/442578048.db2.gz QOLRCRMODMQUHI-GDBMZVCRSA-N 0 0 331.347 1.958 10 0 EDAERN CC(=O)CCCC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000186633416 442578448 /nfs/dbraw/zinc/57/84/48/442578448.db2.gz QCNQUTSCUVLDDR-KRWDZBQOSA-N 0 0 348.443 1.330 10 0 EDAERN CC(C)[C@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)C(N)=O ZINC000135339257 442581894 /nfs/dbraw/zinc/58/18/94/442581894.db2.gz NIKBKPPEVDOLHM-DOMZBBRYSA-N 0 0 329.404 1.742 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000157478376 442587067 /nfs/dbraw/zinc/58/70/67/442587067.db2.gz DGSZDYHJDCKUIQ-IAGOWNOFSA-N 0 0 348.443 1.619 10 0 EDAERN Cc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H](O)C[C@@H]1CO ZINC000179175472 442590262 /nfs/dbraw/zinc/59/02/62/442590262.db2.gz APOPJHQCIAQFFO-CABCVRRESA-N 0 0 335.835 1.821 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000180392740 442594015 /nfs/dbraw/zinc/59/40/15/442594015.db2.gz KTEOJUSLIHDYPY-OAHLLOKOSA-N 0 0 327.388 1.939 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2SCCc3ccccc32)CC1 ZINC000173106029 442605188 /nfs/dbraw/zinc/60/51/88/442605188.db2.gz WSDHCRVCMDKDFE-WBVHZDCISA-N 0 0 334.485 1.932 10 0 EDAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@@H]1CCCC[C@H]1CO ZINC000179249314 442606044 /nfs/dbraw/zinc/60/60/44/442606044.db2.gz OTWUVWOWQCNNIE-GXTWGEPZSA-N 0 0 344.415 1.350 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)NCCn1cc(C)cn1 ZINC000157707114 442606392 /nfs/dbraw/zinc/60/63/92/442606392.db2.gz ZKKAQQJZQANXCU-UHFFFAOYSA-N 0 0 329.403 1.018 10 0 EDAERN O=C(NCCOc1ccc(Cl)cn1)N[C@@H]1CCc2ncnn2C1 ZINC000135848829 442637030 /nfs/dbraw/zinc/63/70/30/442637030.db2.gz HLQIYXATNUWBKN-LLVKDONJSA-N 0 0 336.783 1.020 10 0 EDAERN C[C@@H](C(=O)N[C@@H]1CCCn2ncnc21)[C@H](C)NC(=O)OC(C)(C)C ZINC000192374711 442641840 /nfs/dbraw/zinc/64/18/40/442641840.db2.gz CVOFTCKIMMNGNN-GRYCIOLGSA-N 0 0 337.424 1.779 10 0 EDAERN Cc1cc(F)ccc1-n1ccc(C(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000180657464 442644183 /nfs/dbraw/zinc/64/41/83/442644183.db2.gz UNRBFQJKAPWQCM-AWEZNQCLSA-N 0 0 332.379 1.380 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)CCC(=O)OC(C)(C)C)CC2)nn1 ZINC000192391278 442644372 /nfs/dbraw/zinc/64/43/72/442644372.db2.gz XWLQIUHTUPKEMW-UHFFFAOYSA-N 0 0 348.447 1.946 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)CCC(=O)OC(C)(C)C)CCO2)c1 ZINC000192391221 442644495 /nfs/dbraw/zinc/64/44/95/442644495.db2.gz JYAWWBSAKYWGHS-CQSZACIVSA-N 0 0 337.420 1.541 10 0 EDAERN C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(F)c(Cl)c1 ZINC000180728829 442652967 /nfs/dbraw/zinc/65/29/67/442652967.db2.gz NOCAZDTYQSXNLL-NSHDSACASA-N 0 0 341.814 1.868 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Oc2cccnc2)C12CCOCC2 ZINC000187143072 442655630 /nfs/dbraw/zinc/65/56/30/442655630.db2.gz IVDMXJFCPPVYQH-VNQPRFMTSA-N 0 0 334.416 1.939 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCc2nncn2C2CC2)C1 ZINC000173158415 442613866 /nfs/dbraw/zinc/61/38/66/442613866.db2.gz CRGIZNPKZUECDP-VXGBXAGGSA-N 0 0 349.435 1.923 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1scnc1C ZINC000186830695 442618721 /nfs/dbraw/zinc/61/87/21/442618721.db2.gz GWMKGANSZSHJSD-QRGHLMKCSA-N 0 0 333.417 1.854 10 0 EDAERN C[C@H](NC(=O)[C@@H](CO)NC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000136304852 442658869 /nfs/dbraw/zinc/65/88/69/442658869.db2.gz DSQZCDHIRFJDJZ-BLLLJJGKSA-N 0 0 327.384 1.560 10 0 EDAERN CCc1n[nH]c(=O)c(C(=O)N2CCC(c3cc[nH]n3)CC2)c1CC ZINC000135742439 442628917 /nfs/dbraw/zinc/62/89/17/442628917.db2.gz WWFGKVVLWKNSCY-UHFFFAOYSA-N 0 0 329.404 1.638 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CCC(=O)OC(C)(C)C)CC2 ZINC000192299380 442629008 /nfs/dbraw/zinc/62/90/08/442629008.db2.gz FQZFDRPJWNDATH-LBPRGKRZSA-N 0 0 336.436 1.954 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCN(CCOC)[C@H](C)C2)ccc1C ZINC000180597860 442631037 /nfs/dbraw/zinc/63/10/37/442631037.db2.gz SPIHPXCMGNVJHG-OAHLLOKOSA-N 0 0 347.459 1.675 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000192777625 442685506 /nfs/dbraw/zinc/68/55/06/442685506.db2.gz ZRMCRURCBWVVAF-ZIAGYGMSSA-N 0 0 344.333 1.646 10 0 EDAERN C[C@@H](O)CNC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000192533169 442658975 /nfs/dbraw/zinc/65/89/75/442658975.db2.gz ALOXKUVMSILWIU-KEYYUXOJSA-N 0 0 336.432 1.992 10 0 EDAERN C[C@H](NC[C@@H]1CN(C)CCO1)c1ncc(Br)cc1F ZINC000187321631 442669924 /nfs/dbraw/zinc/66/99/24/442669924.db2.gz TUNZRMBAWDDEFK-GXSJLCMTSA-N 0 0 332.217 1.964 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000181937081 442722575 /nfs/dbraw/zinc/72/25/75/442722575.db2.gz PIEVJXHQDHGVGI-KGLIPLIRSA-N 0 0 349.435 1.606 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)C1 ZINC000193299269 442730887 /nfs/dbraw/zinc/73/08/87/442730887.db2.gz BMGGCHKEQNTSNH-DGCLKSJQSA-N 0 0 329.404 1.934 10 0 EDAERN CN(C[C@H]1CCOC1)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188299718 442735647 /nfs/dbraw/zinc/73/56/47/442735647.db2.gz NPCDFQNENWPGKO-FRRDWIJNSA-N 0 0 330.400 1.829 10 0 EDAERN O=C(N[C@@H]1CCC[C@H]1CCO)N1CCC(Nc2cccnn2)CC1 ZINC000188409858 442747662 /nfs/dbraw/zinc/74/76/62/442747662.db2.gz BYVHLDWSSZJYTP-DZGCQCFKSA-N 0 0 333.436 1.614 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCOCC(F)F)ncn1 ZINC000188424254 442748874 /nfs/dbraw/zinc/74/88/74/442748874.db2.gz SPGWEWMGBBWIGA-LLVKDONJSA-N 0 0 343.378 1.275 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000193518920 442750304 /nfs/dbraw/zinc/75/03/04/442750304.db2.gz BMYCBAMANGMZJG-MZMPZRCHSA-N 0 0 348.443 1.880 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)cn1 ZINC000193080831 442711246 /nfs/dbraw/zinc/71/12/46/442711246.db2.gz ZYAVWXRQOCPMHC-UHFFFAOYSA-N 0 0 348.476 1.653 10 0 EDAERN CC(C)NC(=O)Nc1cccc(C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188101488 442711728 /nfs/dbraw/zinc/71/17/28/442711728.db2.gz AWAPRJBGOYYHHS-GFCCVEGCSA-N 0 0 332.404 1.567 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1)C(C)C ZINC000246646507 442799082 /nfs/dbraw/zinc/79/90/82/442799082.db2.gz FZXPHOZVZZAUQO-UXLLHSPISA-N 0 0 341.496 1.087 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(CCO)Cc1ccc(C)cc1 ZINC000182636525 442799528 /nfs/dbraw/zinc/79/95/28/442799528.db2.gz AQFIRUZZFHLFRV-MRXNPFEDSA-N 0 0 343.431 1.934 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cccc(O)c3)CC2)cn1 ZINC000182390304 442762958 /nfs/dbraw/zinc/76/29/58/442762958.db2.gz VGJYHSXEMQVECU-UHFFFAOYSA-N 0 0 328.416 1.957 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCC2)n1C ZINC000182393516 442763487 /nfs/dbraw/zinc/76/34/87/442763487.db2.gz PERVHFQYVJWTGZ-NSHDSACASA-N 0 0 342.465 1.301 10 0 EDAERN COCCN1CCN(C(=O)c2cnn(CCC(F)(F)F)c2)C[C@@H]1C ZINC000182448111 442767819 /nfs/dbraw/zinc/76/78/19/442767819.db2.gz BJQJPAXCKPSKSL-LBPRGKRZSA-N 0 0 348.369 1.628 10 0 EDAERN Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000182484261 442775306 /nfs/dbraw/zinc/77/53/06/442775306.db2.gz FJAPUDANYQCGBB-XJKSGUPXSA-N 0 0 334.464 1.739 10 0 EDAERN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000193763779 442782378 /nfs/dbraw/zinc/78/23/78/442782378.db2.gz SIVFCTYVFYCJGK-SUMWQHHRSA-N 0 0 349.435 1.214 10 0 EDAERN COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C)n2)cc1 ZINC000188668179 442784990 /nfs/dbraw/zinc/78/49/90/442784990.db2.gz RPVQLDKPVCDDOY-SMDDNHRTSA-N 0 0 328.372 1.403 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000182779513 442823467 /nfs/dbraw/zinc/82/34/67/442823467.db2.gz NRWPLAJTIBMOFD-GOEBONIOSA-N 0 0 333.432 1.043 10 0 EDAERN Cc1cc(F)ccc1CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188891458 442835936 /nfs/dbraw/zinc/83/59/36/442835936.db2.gz RFRSDBCCVWSNQV-UHFFFAOYSA-N 0 0 333.407 1.987 10 0 EDAERN COc1cc(C(=O)N2CCCNC(=O)[C@H]2C)sc1Br ZINC000188897886 442838211 /nfs/dbraw/zinc/83/82/11/442838211.db2.gz DJLJTXMOKPRQNH-SSDOTTSWSA-N 0 0 347.234 1.870 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000247207954 442841448 /nfs/dbraw/zinc/84/14/48/442841448.db2.gz WUPNAICBUAJUEY-NFAWXSAZSA-N 0 0 325.453 1.334 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000189059530 442868683 /nfs/dbraw/zinc/86/86/83/442868683.db2.gz XQSNMSVNNRWMJS-UHFFFAOYSA-N 0 0 347.394 1.979 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000189065989 442870345 /nfs/dbraw/zinc/87/03/45/442870345.db2.gz ILWHCKFSEAIVKG-IUIKQTSFSA-N 0 0 338.835 1.711 10 0 EDAERN CCN(C(=O)CN[C@@H](C)c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000183094991 442879288 /nfs/dbraw/zinc/87/92/88/442879288.db2.gz YQICHQCBRFISEW-STQMWFEESA-N 0 0 328.434 1.274 10 0 EDAERN CN(CC1(CO)CC1)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000189129242 442883382 /nfs/dbraw/zinc/88/33/82/442883382.db2.gz MSYNEIGKRVJWCP-OLZOCXBDSA-N 0 0 326.437 1.911 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189186220 442893995 /nfs/dbraw/zinc/89/39/95/442893995.db2.gz QRIZJMIGXHBZQW-QWHCGFSZSA-N 0 0 344.437 1.117 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cc(C)oc2C)C[C@@H]1C ZINC000183188970 442898744 /nfs/dbraw/zinc/89/87/44/442898744.db2.gz NEQSOUHDJXYADU-LBPRGKRZSA-N 0 0 330.450 1.628 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCC[C@H](SC)C2)CC1 ZINC000181783212 318490162 /nfs/dbraw/zinc/49/01/62/318490162.db2.gz LAXSDBAPNGSWMR-KKUMJFAQSA-N 0 0 329.510 1.759 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2nccn2CC(C)C)CC1 ZINC000181834385 318491078 /nfs/dbraw/zinc/49/10/78/318491078.db2.gz XJIVVOZARYIDKR-OAHLLOKOSA-N 0 0 337.468 1.137 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C2)c1 ZINC000189255077 442905957 /nfs/dbraw/zinc/90/59/57/442905957.db2.gz RVTDFMGLLHSCCJ-GFCCVEGCSA-N 0 0 338.371 1.300 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NCc2ccccc2C)C1 ZINC000189317575 442918954 /nfs/dbraw/zinc/91/89/54/442918954.db2.gz WKYWJTUNDAUUOJ-JKSUJKDBSA-N 0 0 344.415 1.765 10 0 EDAERN O=C(c1ccccc1N1CCOCC1)N1CCN2CCCC[C@@H]2C1 ZINC000194602793 442920694 /nfs/dbraw/zinc/92/06/94/442920694.db2.gz PMGAIVNZLGCBLP-MRXNPFEDSA-N 0 0 329.444 1.834 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000189330289 442921971 /nfs/dbraw/zinc/92/19/71/442921971.db2.gz PTEUFQNPULEGDK-XFBWCDHKSA-N 0 0 348.447 1.929 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(=O)n3ccsc3n2)C1 ZINC000189348733 442926123 /nfs/dbraw/zinc/92/61/23/442926123.db2.gz OEHDBPQXNUNVTB-NWDGAFQWSA-N 0 0 347.400 1.409 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000194695013 442938569 /nfs/dbraw/zinc/93/85/69/442938569.db2.gz QQZYJOXGEZLQMY-LBPRGKRZSA-N 0 0 326.828 1.964 10 0 EDAERN Cc1oc(-c2ccsc2)nc1CC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189412037 442945130 /nfs/dbraw/zinc/94/51/30/442945130.db2.gz RIWAVWXUCNGTCH-UHFFFAOYSA-N 0 0 345.424 1.991 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2cccc(C)c2)n1 ZINC000183745245 442958426 /nfs/dbraw/zinc/95/84/26/442958426.db2.gz ROWFTMLNRMPFBZ-CQSZACIVSA-N 0 0 337.401 1.590 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2c(Cl)nc3ccccn32)n1 ZINC000183761501 442961790 /nfs/dbraw/zinc/96/17/90/442961790.db2.gz ZLLMMLCCVYYXJI-SNVBAGLBSA-N 0 0 347.762 1.893 10 0 EDAERN O=C(Nc1ccc(N2CCOCC2)cn1)N[C@H]1CCCC[C@H]1CO ZINC000194924447 442969572 /nfs/dbraw/zinc/96/95/72/442969572.db2.gz NAYTXTMIPPWHTO-ZFWWWQNUSA-N 0 0 334.420 1.591 10 0 EDAERN CC(C)n1nnnc1CN[C@@H](CO)c1cccc(Br)c1 ZINC000183901267 442974329 /nfs/dbraw/zinc/97/43/29/442974329.db2.gz QSYPCIORAMNVFJ-LBPRGKRZSA-N 0 0 340.225 1.840 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(-n2cccc2)cc1 ZINC000183896100 442974674 /nfs/dbraw/zinc/97/46/74/442974674.db2.gz OAOIZCLQSYVUIQ-ZDUSSCGKSA-N 0 0 343.412 1.362 10 0 EDAERN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195045422 442978933 /nfs/dbraw/zinc/97/89/33/442978933.db2.gz PSUGPUWHYVFATP-CYBMUJFWSA-N 0 0 325.453 1.986 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000184509356 443032274 /nfs/dbraw/zinc/03/22/74/443032274.db2.gz TVCUSCCQRNCCQF-INIZCTEOSA-N 0 0 329.404 1.707 10 0 EDAERN CCC(CC)NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000189957830 443036814 /nfs/dbraw/zinc/03/68/14/443036814.db2.gz RMIZZAQHQPWCOL-ZDUSSCGKSA-N 0 0 328.438 1.090 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)C(C)C ZINC000184246741 443004609 /nfs/dbraw/zinc/00/46/09/443004609.db2.gz USPGMEJKWDTVEE-HRCADAONSA-N 0 0 333.432 1.977 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cc(C)ccc2OC)CC1 ZINC000184747404 443071825 /nfs/dbraw/zinc/07/18/25/443071825.db2.gz UIMOABHDNOMMGK-QGZVFWFLSA-N 0 0 349.475 1.644 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)C[C@H](O)CCc1ccccc1 ZINC000184785606 443075941 /nfs/dbraw/zinc/07/59/41/443075941.db2.gz IDZFCUCNRDHIRW-CQSZACIVSA-N 0 0 338.433 1.163 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)/C=C\c3cnc(C)s3)CCO2)c1 ZINC000254941154 443078597 /nfs/dbraw/zinc/07/85/97/443078597.db2.gz NGHHVVDXENFKJF-VQTKUKTRSA-N 0 0 332.429 1.897 10 0 EDAERN C[C@@H]1CCCN1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000185000545 443115496 /nfs/dbraw/zinc/11/54/96/443115496.db2.gz NELSTPFJCFQHJX-ZIAGYGMSSA-N 0 0 339.465 1.106 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)N1CCC(O)(c2ccccc2)CC1 ZINC000185049080 443125400 /nfs/dbraw/zinc/12/54/00/443125400.db2.gz YPMJREUTIMBEAY-HNNXBMFYSA-N 0 0 341.415 1.806 10 0 EDAERN Cc1noc([C@H]2COCCN2CCS(=O)(=O)c2ccccc2)n1 ZINC000185071911 443129880 /nfs/dbraw/zinc/12/98/80/443129880.db2.gz CWHXEPCUAURWQJ-CQSZACIVSA-N 0 0 337.401 1.225 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)C1 ZINC000185249413 443169519 /nfs/dbraw/zinc/16/95/19/443169519.db2.gz FNWYTOBBEIBKJO-CYBMUJFWSA-N 0 0 348.443 1.725 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)C1 ZINC000185300080 443179079 /nfs/dbraw/zinc/17/90/79/443179079.db2.gz CZUJQVCHNIVXJW-NSHDSACASA-N 0 0 340.807 1.389 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)NCc3ccc(C)cc3)CCO2)cn1 ZINC000190778253 443182244 /nfs/dbraw/zinc/18/22/44/443182244.db2.gz PZXFCVQLMQITQS-GOSISDBHSA-N 0 0 342.443 1.901 10 0 EDAERN Cc1coc2ccc(NC(=O)C(=O)N3CCCNC(=O)[C@H]3C)cc12 ZINC000190668811 443160389 /nfs/dbraw/zinc/16/03/89/443160389.db2.gz LTMUMWLOBFGOIA-LLVKDONJSA-N 0 0 329.356 1.417 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000185754600 443251414 /nfs/dbraw/zinc/25/14/14/443251414.db2.gz RRBSYULVUXYQEC-HNNXBMFYSA-N 0 0 335.379 1.360 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000191346916 443282161 /nfs/dbraw/zinc/28/21/61/443282161.db2.gz UXXUQEDBUOIQMO-UHFFFAOYSA-N 0 0 330.171 1.279 10 0 EDAERN Nc1cc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)ccn1 ZINC000191487052 443301492 /nfs/dbraw/zinc/30/14/92/443301492.db2.gz HFOAHPAPVHYSAQ-KRWDZBQOSA-N 0 0 342.443 1.221 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)/C=C\c1ccc(OC)c(O)c1)CC2 ZINC000492715715 320383639 /nfs/dbraw/zinc/38/36/39/320383639.db2.gz ZJJCRTQZYIPPBD-WYOARUQKSA-N 0 0 342.399 1.699 10 0 EDAERN CN(C)c1nccc([C@H]2CN(C(=O)CC[C@@H]3CCCOC3)CCO2)n1 ZINC000328630398 444402866 /nfs/dbraw/zinc/40/28/66/444402866.db2.gz PUEQTMMODVGFKY-GOEBONIOSA-N 0 0 348.447 1.649 10 0 EDAERN Cc1conc1NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328623934 444398413 /nfs/dbraw/zinc/39/84/13/444398413.db2.gz CDYCIBJMIQKJPY-KBPBESRZSA-N 0 0 348.382 1.849 10 0 EDAERN Cc1cc(C(=O)N2CCO[C@@H](c3nncn3C)C2)nc2ccccc12 ZINC000328626157 444400180 /nfs/dbraw/zinc/40/01/80/444400180.db2.gz LKUQZAJJZCRGSO-MRXNPFEDSA-N 0 0 337.383 1.885 10 0 EDAERN CNc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)cn1 ZINC000623173487 450433770 /nfs/dbraw/zinc/43/37/70/450433770.db2.gz JNAPEKCHTLXSCS-ZWNOBZJWSA-N 0 0 343.387 1.986 10 0 EDAERN Cn1ncnc1[C@@H]1COCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000375226852 446655023 /nfs/dbraw/zinc/65/50/23/446655023.db2.gz JWHKQLRZNIBOKQ-INIZCTEOSA-N 0 0 337.383 1.820 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000375927631 447154534 /nfs/dbraw/zinc/15/45/34/447154534.db2.gz NZIFJYIALHJLLL-KRWDZBQOSA-N 0 0 332.448 1.537 10 0 EDAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cccc(Br)c1 ZINC000392882293 447527646 /nfs/dbraw/zinc/52/76/46/447527646.db2.gz VSPTWDRCBOXOEZ-KWQFWETISA-N 0 0 347.234 1.395 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1C ZINC000583616396 448442045 /nfs/dbraw/zinc/44/20/45/448442045.db2.gz NKSHMJONAWMCME-BRWVUGGUSA-N 0 0 339.457 1.854 10 0 EDAERN Cc1nnc(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n1C1CC1 ZINC000583617877 448446648 /nfs/dbraw/zinc/44/66/48/448446648.db2.gz CRPVOTQSOGSUBB-KRWDZBQOSA-N 0 0 345.451 1.577 10 0 EDAERN COCCN(C)c1cnn([C@@H]2CCCN(Cc3ccco3)C2)c(=O)c1 ZINC000583618200 448447419 /nfs/dbraw/zinc/44/74/19/448447419.db2.gz KROQKMURPOQOBZ-OAHLLOKOSA-N 0 0 346.431 1.756 10 0 EDAERN O=C(N1CCC[C@](O)(c2cn[nH]n2)C1)C1(Cc2ccccc2F)CC1 ZINC000583618958 448449121 /nfs/dbraw/zinc/44/91/21/448449121.db2.gz MXZUQXARYWYVCG-GOSISDBHSA-N 0 0 344.390 1.777 10 0 EDAERN CN1C(=O)C[C@@H](NC(=O)Cn2ncc3ccccc32)[C@@H]1c1cccnc1 ZINC000583619563 448449863 /nfs/dbraw/zinc/44/98/63/448449863.db2.gz RFQUVWHFZRROSB-BEFAXECRSA-N 0 0 349.394 1.520 10 0 EDAERN CCOC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1c1cnn(C)c1 ZINC000585655644 448737333 /nfs/dbraw/zinc/73/73/33/448737333.db2.gz RFLJQMGVOVAMSO-GJZGRUSLSA-N 0 0 330.388 1.413 10 0 EDAERN CN1C(=O)NC(=O)C[C@H]1Cc1ccc(I)cc1 ZINC000616589373 450453580 /nfs/dbraw/zinc/45/35/80/450453580.db2.gz XJIJZCMZLGWKQW-SNVBAGLBSA-N 0 0 344.152 1.774 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2cnnc3ccccc32)Cc2ccccc21 ZINC000616590560 450453753 /nfs/dbraw/zinc/45/37/53/450453753.db2.gz XSVQHAAYZDQVFE-ZDUSSCGKSA-N 0 0 340.408 1.980 10 0 EDAERN Nc1cc([C@@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)ccn1 ZINC000616594255 450454515 /nfs/dbraw/zinc/45/45/15/450454515.db2.gz OVIGWQSLZDPLJM-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccccc1C(=O)[O-] ZINC000616635351 450456129 /nfs/dbraw/zinc/45/61/29/450456129.db2.gz DSCKXJJXTQBYKA-HNNXBMFYSA-N 0 0 349.431 1.856 10 0 EDAERN NC(=O)c1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)c1 ZINC000616654228 450457519 /nfs/dbraw/zinc/45/75/19/450457519.db2.gz ONMPROAXQCJQCU-MRXNPFEDSA-N 0 0 345.424 1.121 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCCO[C@@H](OC(F)(F)F)C1 ZINC000616655402 450457938 /nfs/dbraw/zinc/45/79/38/450457938.db2.gz YODJVQHSCINFDO-NSHDSACASA-N 0 0 325.308 1.960 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](n2ccc(N)n2)CC1 ZINC000616665370 450458620 /nfs/dbraw/zinc/45/86/20/450458620.db2.gz HCHQYVAVRADFCC-ZDUSSCGKSA-N 0 0 325.413 1.211 10 0 EDAERN O=C(CNC(=O)c1ccc(Br)cc1)NC1CC(CO)C1 ZINC000620889289 450555577 /nfs/dbraw/zinc/55/55/77/450555577.db2.gz OXUHQVBJGBRBDW-UHFFFAOYSA-N 0 0 341.205 1.066 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1c(F)cccc1Br ZINC000633923676 451101999 /nfs/dbraw/zinc/10/19/99/451101999.db2.gz LWGBTUCOXSRCCT-JTQLQIEISA-N 0 0 345.212 1.991 10 0 EDAERN O=C([O-])[C@@H]1CC[C@@H](C(=O)N(CCc2cccc(F)c2)C2CC2)C[NH2+]1 ZINC000630684531 451338883 /nfs/dbraw/zinc/33/88/83/451338883.db2.gz LOIXPTVELLPVSR-CJNGLKHVSA-N 0 0 334.391 1.812 10 0 EDAERN O=C(COc1cccc(Br)c1)N[C@@H]1CCOC[C@@H]1O ZINC000629217645 451599894 /nfs/dbraw/zinc/59/98/94/451599894.db2.gz DVLLAHWTVOYGDL-NEPJUHHUSA-N 0 0 330.178 1.094 10 0 EDAERN CN(C[C@H]1CCCN1c1cccnn1)c1ccc2nc[nH]c(=O)c2n1 ZINC000641348035 451875401 /nfs/dbraw/zinc/87/54/01/451875401.db2.gz KQHBLELRZMECPM-GFCCVEGCSA-N 0 0 337.387 1.626 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)N(C)Cc2ccccc2)C1 ZINC000643856637 452748100 /nfs/dbraw/zinc/74/81/00/452748100.db2.gz FZWKQBTYEMZWHR-CVEARBPZSA-N 0 0 328.416 1.830 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)NCC1(c2ccc(F)cc2)CC1 ZINC000644314552 453290071 /nfs/dbraw/zinc/29/00/71/453290071.db2.gz FHRMYFAIGBSXQK-OAHLLOKOSA-N 0 0 334.391 1.347 10 0 EDAERN Cc1nnc2n1C[C@@H](C(=O)Nc1cnn(C3CCCC3)c1C)N(C)C2 ZINC000644448154 453470455 /nfs/dbraw/zinc/47/04/55/453470455.db2.gz VDDSZLAPBJPJFS-HNNXBMFYSA-N 0 0 343.435 1.659 10 0 EDAERN CCCC(=O)N1CCN(c2nc3ccccc3n(CC)c2=O)CC1 ZINC000033290566 486724036 /nfs/dbraw/zinc/72/40/36/486724036.db2.gz GNRCEZVJSNOFRQ-UHFFFAOYSA-N 0 0 328.416 1.865 10 0 EDAERN O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000153364428 485831725 /nfs/dbraw/zinc/83/17/25/485831725.db2.gz TZLLBKXJIKJVSL-XHSDSOJGSA-N 0 0 337.441 1.848 10 0 EDAERN Cc1sc(Br)cc1S(=O)(=O)NCC1CC(O)C1 ZINC000094870814 486027725 /nfs/dbraw/zinc/02/77/25/486027725.db2.gz HKDLXNYZFBEMIE-UHFFFAOYSA-N 0 0 340.264 1.868 10 0 EDAERN C[C@H](NC(=O)c1cncc(I)c1)[C@H]1CCCO1 ZINC000158652386 533775314 /nfs/dbraw/zinc/77/53/14/533775314.db2.gz UUJLDEREFYYCES-GZMMTYOYSA-N 0 0 346.168 1.984 10 0 EDAERN COC(=O)Cn1cc(CCN2CCCC[C@H]2c2nccs2)nn1 ZINC000157955716 533787898 /nfs/dbraw/zinc/78/78/98/533787898.db2.gz FCILHJZLLQSYMA-ZDUSSCGKSA-N 0 0 335.433 1.677 10 0 EDAERN C[C@@H]1C[C@H](C)N(C(=O)c2cc(Cl)cc(S(N)(=O)=O)c2F)C1 ZINC000165602164 533813205 /nfs/dbraw/zinc/81/32/05/533813205.db2.gz SWJHRLZATDEIOM-SFYZADRCSA-N 0 0 334.800 1.997 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@@H]1N1CCOCC1 ZINC000173814223 533873617 /nfs/dbraw/zinc/87/36/17/533873617.db2.gz MKQJKMBTQXCIIX-GWCFXTLKSA-N 0 0 342.237 1.570 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(C)cn3)C2=O)n(C)n1 ZINC000184318445 533896743 /nfs/dbraw/zinc/89/67/43/533896743.db2.gz SCRDOCPBELRJDX-ZDUSSCGKSA-N 0 0 342.403 1.749 10 0 EDAERN COc1cccc2sc(C(=O)NC[C@@H](C)[S@](C)=O)c(N)c21 ZINC000166485672 533910570 /nfs/dbraw/zinc/91/05/70/533910570.db2.gz WTTZXXMPQFVKDT-IJSAXESFSA-N 0 0 326.443 1.989 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)CC[C@H](C)O)C(C)C ZINC000177464745 533975194 /nfs/dbraw/zinc/97/51/94/533975194.db2.gz IXBWUYNVDCTXDX-BBRMVZONSA-N 0 0 336.432 1.679 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N[C@@H](C)CN1CCCC1=O ZINC000173166062 534157478 /nfs/dbraw/zinc/15/74/78/534157478.db2.gz AZFFSVNKLPSZOZ-GJZGRUSLSA-N 0 0 333.432 1.902 10 0 EDAERN COc1ccc(NS(=O)(=O)C2CCCC2)cc1S(N)(=O)=O ZINC000165972513 534185988 /nfs/dbraw/zinc/18/59/88/534185988.db2.gz PJGSFRJAKXZOBA-UHFFFAOYSA-N 0 0 334.419 1.027 10 0 EDAERN C[C@@H](C[S@@](C)=O)n1c2cccc(S(C)(=O)=O)c2[nH]c1=S ZINC000169106509 534220043 /nfs/dbraw/zinc/22/00/43/534220043.db2.gz OAAVXUOIMHPTNY-RLBGWGEZSA-N 0 0 332.472 1.668 10 0 EDAERN C[C@@]1(NS(=O)(=O)c2ccc(C(N)=S)c(Cl)c2)CCOC1 ZINC000161833073 534275063 /nfs/dbraw/zinc/27/50/63/534275063.db2.gz IICQYEMKWDPCFM-GFCCVEGCSA-N 0 0 334.850 1.432 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@H]1N1CCOCC1 ZINC000173857556 534396621 /nfs/dbraw/zinc/39/66/21/534396621.db2.gz WDCMAKNXBMEWOC-RHSMWYFYSA-N 0 0 341.415 1.060 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000173840873 534409507 /nfs/dbraw/zinc/40/95/07/534409507.db2.gz MLUPZZVHBKTKTD-QAPCUYQASA-N 0 0 340.427 1.665 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1N1CCOCC1 ZINC000173960496 534410182 /nfs/dbraw/zinc/41/01/82/534410182.db2.gz LIDFPVUZFQNMBV-QAPCUYQASA-N 0 0 340.427 1.665 10 0 EDAERN NC(=O)c1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)nc1 ZINC000174971387 534476787 /nfs/dbraw/zinc/47/67/87/534476787.db2.gz KMAACTXDXUSPST-UHFFFAOYSA-N 0 0 341.371 1.640 10 0 EDAERN O=C(CNC(=O)N1CCSC[C@@H]1c1nccs1)NCC1CC1 ZINC000185634304 534565944 /nfs/dbraw/zinc/56/59/44/534565944.db2.gz IVMSPUDODUOGJH-LLVKDONJSA-N 0 0 340.474 1.469 10 0 EDAERN O=C(c1cccc(-n2ccnn2)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000152717829 534733580 /nfs/dbraw/zinc/73/35/80/534733580.db2.gz ULTFHZPAYNQONT-AWEZNQCLSA-N 0 0 337.387 1.411 10 0 EDAERN O=C(Nc1ccc(OC2COC2)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000187181797 534835232 /nfs/dbraw/zinc/83/52/32/534835232.db2.gz KBJXEHNRPKJHOO-AWEZNQCLSA-N 0 0 343.387 1.925 10 0 EDAERN O=C(NCCCc1nc(-c2ccncc2)cs1)[C@@H]1CNC(=O)C1 ZINC000171569456 534852902 /nfs/dbraw/zinc/85/29/02/534852902.db2.gz SVMPADGOWJWYJG-LBPRGKRZSA-N 0 0 330.413 1.390 10 0 EDAERN O=c1[n-]cnc(N2CCC(C[NH2+]C3CC3)CC2)c1Br ZINC000165323915 534889899 /nfs/dbraw/zinc/88/98/99/534889899.db2.gz JAKYDXPNOLKSTI-UHFFFAOYSA-N 0 0 327.226 1.501 10 0 EDAERN O=c1[nH]cnc(Sc2ccncc2)c1I ZINC000166135743 534890056 /nfs/dbraw/zinc/89/00/56/534890056.db2.gz XVFPSMJUFSVXFR-UHFFFAOYSA-N 0 0 331.138 1.921 10 0 EDAERN O=c1ccnc(Sc2nc[nH]c(=O)c2I)[nH]1 ZINC000166102962 534890088 /nfs/dbraw/zinc/89/00/88/534890088.db2.gz LWNMZKQKEZGQBF-UHFFFAOYSA-N 0 0 348.125 1.021 10 0 EDAERN CC(=O)N1CCN(Cc2cccc(NC(=O)C[C@@H](O)C(C)C)c2)CC1 ZINC000187162932 526630080 /nfs/dbraw/zinc/63/00/80/526630080.db2.gz OHBQORCNIVXUGW-GOSISDBHSA-N 0 0 347.459 1.696 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc(N)cc(Br)c2)C1 ZINC000165580506 526854194 /nfs/dbraw/zinc/85/41/94/526854194.db2.gz IPJQBQOCILEKHG-CYBMUJFWSA-N 0 0 340.221 1.772 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000170897756 526998305 /nfs/dbraw/zinc/99/83/05/526998305.db2.gz BXTGMIZFFOWUPW-CYBMUJFWSA-N 0 0 331.351 1.853 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2cc(Br)ccc2N)C1 ZINC000166129877 527730355 /nfs/dbraw/zinc/73/03/55/527730355.db2.gz SHGKTTFTJACFQX-NSHDSACASA-N 0 0 342.237 1.482 10 0 EDAERN CC(C)[C@H]1C(=O)N[C@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168877475 527758405 /nfs/dbraw/zinc/75/84/05/527758405.db2.gz CCOYWQUQEFZVTC-SKDRFNHKSA-N 0 0 340.221 1.716 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000155267629 527994290 /nfs/dbraw/zinc/99/42/90/527994290.db2.gz FZNTVDPSDNUMCA-CQSZACIVSA-N 0 0 333.436 1.210 10 0 EDAERN CC[NH+](CC)CCN[C@H](C(=O)[O-])c1cncc(Br)c1 ZINC000166197102 528137352 /nfs/dbraw/zinc/13/73/52/528137352.db2.gz QHJHGIZFCZZPSX-LBPRGKRZSA-N 0 0 330.226 1.901 10 0 EDAERN CCOC(=O)c1cc(S(N)(=O)=O)c(Br)cc1OC ZINC000169064594 528193019 /nfs/dbraw/zinc/19/30/19/528193019.db2.gz XIEKPTKGTUFVGI-UHFFFAOYSA-N 0 0 338.179 1.282 10 0 EDAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176132871 528193615 /nfs/dbraw/zinc/19/36/15/528193615.db2.gz SADMOPVEAFKUPN-NEPJUHHUSA-N 0 0 337.424 1.923 10 0 EDAERN CCC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)OC(C)(C)C ZINC000161581154 528200279 /nfs/dbraw/zinc/20/02/79/528200279.db2.gz QOMJAJZDKKCTFI-LBPRGKRZSA-N 0 0 337.420 1.637 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)C1 ZINC000151705460 528372162 /nfs/dbraw/zinc/37/21/62/528372162.db2.gz ODPUUMURECMYFW-LSDHHAIUSA-N 0 0 347.463 1.894 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@@H](c2nccs2)C1 ZINC000186207537 528376534 /nfs/dbraw/zinc/37/65/34/528376534.db2.gz BNSAKABDXLWZLM-GFCCVEGCSA-N 0 0 336.417 1.627 10 0 EDAERN CCCNC(=O)[C@H]1COCCN1c1cc(Br)ccc1N ZINC000159257648 528442504 /nfs/dbraw/zinc/44/25/04/528442504.db2.gz GRABHMSRSUCACP-CYBMUJFWSA-N 0 0 342.237 1.763 10 0 EDAERN CC(C)c1nnc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000137493337 528456727 /nfs/dbraw/zinc/45/67/27/528456727.db2.gz OEMUFPNLWGADTP-NSHDSACASA-N 0 0 334.449 1.823 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCC(=O)Nc1ccncc1 ZINC000184368992 528474186 /nfs/dbraw/zinc/47/41/86/528474186.db2.gz BLTWKSXCUCJSQX-OAHLLOKOSA-N 0 0 334.420 1.027 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000184211294 528484265 /nfs/dbraw/zinc/48/42/65/528484265.db2.gz VATCKTCJIVJUTQ-HNNXBMFYSA-N 0 0 344.419 1.317 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000184421126 528486459 /nfs/dbraw/zinc/48/64/59/528486459.db2.gz OSOFXZXWTXZBGO-LBPRGKRZSA-N 0 0 334.342 1.885 10 0 EDAERN CCOCCN1CCN(c2nc(CCOC)ns2)C[C@@H]1CC ZINC000176922337 528757082 /nfs/dbraw/zinc/75/70/82/528757082.db2.gz FDJOHYGLCGYGIO-ZDUSSCGKSA-N 0 0 328.482 1.664 10 0 EDAERN CC(C)Cn1ncnc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181560199 528764192 /nfs/dbraw/zinc/76/41/92/528764192.db2.gz IBYXBRIGUHVVCU-LBPRGKRZSA-N 0 0 337.449 1.432 10 0 EDAERN CC[N@H+](Cc1cncc(Br)c1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000167361897 528871714 /nfs/dbraw/zinc/87/17/14/528871714.db2.gz JLEXGPMDNWOLOT-RYUDHWBXSA-N 0 0 329.194 1.766 10 0 EDAERN CC(C)[C@@](C)(O)CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000171926720 528875133 /nfs/dbraw/zinc/87/51/33/528875133.db2.gz ZZLLLBRDEDBXHO-BBRMVZONSA-N 0 0 340.445 1.611 10 0 EDAERN CCCn1ncc(NCC[S@](=O)CC)c(Br)c1=O ZINC000158825724 528884402 /nfs/dbraw/zinc/88/44/02/528884402.db2.gz BDTKRTXKPAFHPO-SFHVURJKSA-N 0 0 336.255 1.596 10 0 EDAERN CC(C)N(CCO)S(=O)(=O)c1ccc(Br)cc1F ZINC000161871161 528909887 /nfs/dbraw/zinc/90/98/87/528909887.db2.gz HHPMRKBXISYYJM-UHFFFAOYSA-N 0 0 340.214 1.980 10 0 EDAERN CCC[C@@H](O)CNC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000154537273 529031942 /nfs/dbraw/zinc/03/19/42/529031942.db2.gz HEZJFINPCVSZPR-CJNGLKHVSA-N 0 0 336.432 1.727 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(C(=O)OC)CC1 ZINC000187943771 529218522 /nfs/dbraw/zinc/21/85/22/529218522.db2.gz KOYJFSYQEXXZIL-DZGCQCFKSA-N 0 0 346.427 1.901 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cc(F)cc(F)c2)CC1 ZINC000184998034 529226558 /nfs/dbraw/zinc/22/65/58/529226558.db2.gz WWAIHSDUCONOHK-MRXNPFEDSA-N 0 0 341.402 1.605 10 0 EDAERN CC[C@@H](C)NC(=O)[C@@H](C)n1ncc(I)cc1=O ZINC000158582119 529368709 /nfs/dbraw/zinc/36/87/09/529368709.db2.gz MHMHFFXUVWWCJJ-HTQZYQBOSA-N 0 0 349.172 1.324 10 0 EDAERN CC(C)c1nnc2n1CCN(C(=O)c1cnc3n[nH]nc3c1)[C@@H]2C ZINC000333007294 535018195 /nfs/dbraw/zinc/01/81/95/535018195.db2.gz AJRPGCFSLRAAIA-SECBINFHSA-N 0 0 326.364 1.285 10 0 EDAERN CC(C)COc1ccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000225488341 535223272 /nfs/dbraw/zinc/22/32/72/535223272.db2.gz JYZYFCRGCUYOKQ-GOSISDBHSA-N 0 0 334.416 1.103 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C1CCOCC1 ZINC000124152338 535299496 /nfs/dbraw/zinc/29/94/96/535299496.db2.gz NDBPWVLYUQXHSC-JSGCOSHPSA-N 0 0 332.466 1.122 10 0 EDAERN CCOC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247008199 535500196 /nfs/dbraw/zinc/50/01/96/535500196.db2.gz OJCUVBCARYJWHV-HUUCEWRRSA-N 0 0 330.388 1.791 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C[C@H]1C ZINC000247155035 535599406 /nfs/dbraw/zinc/59/94/06/535599406.db2.gz QCGWNPQMCQIUGJ-PMPSAXMXSA-N 0 0 328.453 1.140 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC[C@@H](O)COC ZINC000245771721 535971308 /nfs/dbraw/zinc/97/13/08/535971308.db2.gz SKAOXNODZDCQPE-IMJJTQAJSA-N 0 0 336.432 1.345 10 0 EDAERN CNS(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 ZINC000062368954 536303441 /nfs/dbraw/zinc/30/34/41/536303441.db2.gz ROKCBLYLHNEIQA-UHFFFAOYSA-N 0 0 346.412 1.551 10 0 EDAERN CN[C@H](C(=O)NC[C@@H](O)c1cc2ccccc2s1)c1cnn(C)c1 ZINC000262546398 536383684 /nfs/dbraw/zinc/38/36/84/536383684.db2.gz OCZPJVOMTJOTJO-CJNGLKHVSA-N 0 0 344.440 1.745 10 0 EDAERN COc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)c(OC(C)C)c1 ZINC000191605793 536773549 /nfs/dbraw/zinc/77/35/49/536773549.db2.gz JYWDNVXZHWIBJI-LBPRGKRZSA-N 0 0 330.388 1.819 10 0 EDAERN COCCNCC(=O)/N=c1/sccn1Cc1ccccc1Cl ZINC000237265035 536893351 /nfs/dbraw/zinc/89/33/51/536893351.db2.gz SOWSURBXBQZMAM-OBGWFSINSA-N 0 0 339.848 1.915 10 0 EDAERN CCN(Cc1cccc2c1OCCO2)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[NH2+]C1 ZINC000888101263 591030008 /nfs/dbraw/zinc/03/00/08/591030008.db2.gz ZHRTUWAOUWKXSA-JSGCOSHPSA-N 0 0 348.399 1.259 10 0 EDAERN O=C([C@@H]1CN(Cc2ccon2)C[C@H]1C(F)(F)F)N1CCOCC1 ZINC000888103059 591031621 /nfs/dbraw/zinc/03/16/21/591031621.db2.gz CXXAQPKFQJJQMX-VXGBXAGGSA-N 0 0 333.310 1.144 10 0 EDAERN CC(C)c1nnc(COC2CN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)o1 ZINC000888103046 591031691 /nfs/dbraw/zinc/03/16/91/591031691.db2.gz BPBWOFOGMGJKEJ-LBPRGKRZSA-N 0 0 345.403 1.764 10 0 EDAERN Cn1nccc1[C@H]1[C@H](Nc2nccnc2Cl)CC(=O)N1C1CC1 ZINC000893803546 591104713 /nfs/dbraw/zinc/10/47/13/591104713.db2.gz KUMYWAGHZRUDNG-ZWNOBZJWSA-N 0 0 332.795 1.780 10 0 EDAERN O=C(COCc1cccnc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899086494 591679197 /nfs/dbraw/zinc/67/91/97/591679197.db2.gz RLEFGYNUWMOWHQ-OAHLLOKOSA-N 0 0 327.388 1.541 10 0 EDAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)c1cccc(C3CCC3)c1)C2 ZINC000818347027 593694104 /nfs/dbraw/zinc/69/41/04/593694104.db2.gz PIUCBHQJMPUVMB-OAHLLOKOSA-N 0 0 339.399 1.364 10 0 EDAERN CNC(=O)c1nc(C2CCN(C(=O)C[C@@H]3CCC[C@@H]3C)CC2)n[nH]1 ZINC000818480477 593699990 /nfs/dbraw/zinc/69/99/90/593699990.db2.gz NBJCOMYJLRCPSE-AAEUAGOBSA-N 0 0 333.436 1.697 10 0 EDAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000102660765 595018275 /nfs/dbraw/zinc/01/82/75/595018275.db2.gz IULQWLSUEGXCLH-SECBINFHSA-N 0 0 332.809 1.697 10 0 EDAERN COCCN1CCN(C(=O)c2csc(-c3ccccn3)n2)C[C@@H]1C ZINC000117288874 595615559 /nfs/dbraw/zinc/61/55/59/595615559.db2.gz ZCMOJJNTOWKIIB-ZDUSSCGKSA-N 0 0 346.456 1.998 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3nc(C)sc3=S)CCO2)c1 ZINC000112072126 596016610 /nfs/dbraw/zinc/01/66/10/596016610.db2.gz ROCSOXUNVHXXQZ-LBPRGKRZSA-N 0 0 325.463 1.846 10 0 EDAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2cccs2)CC1 ZINC000121642414 596405242 /nfs/dbraw/zinc/40/52/42/596405242.db2.gz VPJANGYWZNTRTP-KBPBESRZSA-N 0 0 331.441 1.779 10 0 EDAERN Cc1ccccc1-n1cnn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1=S ZINC000120295412 596419256 /nfs/dbraw/zinc/41/92/56/596419256.db2.gz RPHJBZKTQLHRDI-OCCSQVGLSA-N 0 0 347.444 1.244 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)C/C=C\c2ccc(F)cc2)cn1 ZINC000862924203 596451653 /nfs/dbraw/zinc/45/16/53/596451653.db2.gz GLTMYCDTZWLOSV-FMQLDFCNSA-N 0 0 345.374 1.925 10 0 EDAERN CN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126570147 597532689 /nfs/dbraw/zinc/53/26/89/597532689.db2.gz OIXQTHRUSJXPIJ-SECBINFHSA-N 0 0 336.866 1.137 10 0 EDAERN O=C(C[C@H]1CSCCS1)N1CCCN(c2cccnn2)CC1 ZINC000126646709 597547474 /nfs/dbraw/zinc/54/74/74/597547474.db2.gz CIBJPFILAOMYFI-ZDUSSCGKSA-N 0 0 338.502 1.754 10 0 EDAERN C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccc(Cl)cc1 ZINC000126669647 597548672 /nfs/dbraw/zinc/54/86/72/597548672.db2.gz KSUZFHLATVCLAG-GXFFZTMASA-N 0 0 330.837 1.294 10 0 EDAERN CC(C)N1C(=O)CN(CNC2(c3noc(C4CC4)n3)CCCC2)C1=O ZINC000132273355 597816855 /nfs/dbraw/zinc/81/68/55/597816855.db2.gz KKQDAZRXOJAKKZ-UHFFFAOYSA-N 0 0 347.419 1.936 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000128279794 597870879 /nfs/dbraw/zinc/87/08/79/597870879.db2.gz MRTMLQVFUCDVTE-CYBMUJFWSA-N 0 0 333.498 1.181 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCC3(C)OCCO3)C2)no1 ZINC000185129780 698989491 /nfs/dbraw/zinc/98/94/91/698989491.db2.gz JMUCFOPPEMQOAE-CYBMUJFWSA-N 0 0 338.408 1.495 10 0 EDAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)nc2Cl)C1 ZINC000189580810 702047801 /nfs/dbraw/zinc/04/78/01/702047801.db2.gz LKVXXFTZYBPXHA-SNVBAGLBSA-N 0 0 332.809 1.617 10 0 EDAERN O=C(NC1CCC(O)(c2cccnc2)CC1)N[C@@H]1CCCC[C@@H]1O ZINC000185711508 704871697 /nfs/dbraw/zinc/87/16/97/704871697.db2.gz CCZWLGLFEWBKFF-NDUQDZPOSA-N 0 0 333.432 1.815 10 0 EDAERN CCN(CCO)CC(=O)c1ccc(I)cc1 ZINC000050134565 214046344 /nfs/dbraw/zinc/04/63/44/214046344.db2.gz AQMPSJXRJLDEOT-UHFFFAOYSA-N 0 0 333.169 1.788 10 0 EDAERN CCCn1cc(S(=O)(=O)NC2(C(N)=S)CCCC2)nc1C ZINC000050265742 214052462 /nfs/dbraw/zinc/05/24/62/214052462.db2.gz OJIWAFCHSJCYKU-UHFFFAOYSA-N 0 0 330.479 1.479 10 0 EDAERN Nc1ncc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1 ZINC000050657004 214065087 /nfs/dbraw/zinc/06/50/87/214065087.db2.gz IHQFIPSPECAMDZ-UHFFFAOYSA-N 0 0 347.169 1.761 10 0 EDAERN Nc1ncc(Br)cc1S(=O)(=O)NCCc1ccco1 ZINC000050671802 214065476 /nfs/dbraw/zinc/06/54/76/214065476.db2.gz DBAOEPLZHDQXCQ-UHFFFAOYSA-N 0 0 346.206 1.540 10 0 EDAERN CNc1ncc(Br)cc1C(=O)NC[C@H]1COCCO1 ZINC000050772696 214069465 /nfs/dbraw/zinc/06/94/65/214069465.db2.gz IXEDJUATIVBWPH-VIFPVBQESA-N 0 0 330.182 1.031 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)n1 ZINC000173497258 230954113 /nfs/dbraw/zinc/95/41/13/230954113.db2.gz FECQPVGWUFTWIV-QWHCGFSZSA-N 0 0 346.460 1.947 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCCN2C(=O)CCC2=O)o1 ZINC000173495731 230954661 /nfs/dbraw/zinc/95/46/61/230954661.db2.gz URCQPEOTYVRDTC-ZDUSSCGKSA-N 0 0 333.388 1.974 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3cc(F)ccc3F)CCO2)[nH]1 ZINC000173665889 231000462 /nfs/dbraw/zinc/00/04/62/231000462.db2.gz AUBSVFBQFYCVHP-ZDUSSCGKSA-N 0 0 337.330 1.403 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3cc4ccccc4[nH]c3=O)CCO2)[nH]1 ZINC000173670424 231000821 /nfs/dbraw/zinc/00/08/21/231000821.db2.gz SVJGIWOXDQMYIZ-HNNXBMFYSA-N 0 0 325.372 1.528 10 0 EDAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CCOCC3)C2)cc1F ZINC000173946803 231077717 /nfs/dbraw/zinc/07/77/17/231077717.db2.gz UZZZCAZQVLGWHV-HOCLYGCPSA-N 0 0 335.423 1.868 10 0 EDAERN CC[C@H](NC(=O)NCC1CN(S(=O)(=O)CC)C1)c1cccs1 ZINC000187774688 529501398 /nfs/dbraw/zinc/50/13/98/529501398.db2.gz AQXOWZAFROPRDL-LBPRGKRZSA-N 0 0 345.490 1.780 10 0 EDAERN CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000174991967 529512506 /nfs/dbraw/zinc/51/25/06/529512506.db2.gz PPKMXBZMJBCHDZ-KBPBESRZSA-N 0 0 341.477 1.500 10 0 EDAERN CC[C@@]1(C)NC(=O)CCN(Cc2cncc(Br)c2)C1=O ZINC000168919207 529538166 /nfs/dbraw/zinc/53/81/66/529538166.db2.gz JGLKYDKIGZURMP-CQSZACIVSA-N 0 0 340.221 1.861 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(C)nc3)C2=O)n(C)n1 ZINC000174997643 231363458 /nfs/dbraw/zinc/36/34/58/231363458.db2.gz SRKNKDQCERTZNE-OAHLLOKOSA-N 0 0 341.415 1.286 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(F)c3F)C2=O)n(C)n1 ZINC000175005248 231365231 /nfs/dbraw/zinc/36/52/31/231365231.db2.gz QQBJMIQWNNYBMP-CYBMUJFWSA-N 0 0 348.353 1.932 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CC=CCC3)C2=O)n(C)n1 ZINC000175091485 231382963 /nfs/dbraw/zinc/38/29/63/231382963.db2.gz XHJCMPWFZJAORP-ZIAGYGMSSA-N 0 0 331.420 1.632 10 0 EDAERN O=C(NCC[C@H]1Oc2ccccc2NC1=O)c1ccc2c(c1)OCO2 ZINC000049739825 214031009 /nfs/dbraw/zinc/03/10/09/214031009.db2.gz VLAVJFWXKSBIDI-OAHLLOKOSA-N 0 0 340.335 1.935 10 0 EDAERN CC[C@@H](NC(=O)NCC1CN(S(=O)(=O)CC)C1)c1cccs1 ZINC000187774705 529621439 /nfs/dbraw/zinc/62/14/39/529621439.db2.gz AQXOWZAFROPRDL-GFCCVEGCSA-N 0 0 345.490 1.780 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)n1 ZINC000193491885 282211230 /nfs/dbraw/zinc/21/12/30/282211230.db2.gz XVSUNFPZGVUQKE-AWEZNQCLSA-N 0 0 327.388 1.525 10 0 EDAERN Cc1c(C(=O)N2CCc3ccccc32)cnn1[C@@H]1CCS(=O)(=O)C1 ZINC000049658287 214025412 /nfs/dbraw/zinc/02/54/12/214025412.db2.gz WXROLUBQSSPIRB-CQSZACIVSA-N 0 0 345.424 1.754 10 0 EDAERN Cc1c(C(=O)Nc2ccccc2F)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000049658361 214025459 /nfs/dbraw/zinc/02/54/59/214025459.db2.gz GNBJOJOTKHVZFB-NSHDSACASA-N 0 0 337.376 1.943 10 0 EDAERN CCOC(=O)c1ccc(NC(=O)CCc2nn3cnnc3s2)cc1 ZINC000049662787 214025160 /nfs/dbraw/zinc/02/51/60/214025160.db2.gz SZUMKKAFIZZGFB-UHFFFAOYSA-N 0 0 345.384 1.934 10 0 EDAERN NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000059244970 214614751 /nfs/dbraw/zinc/61/47/51/214614751.db2.gz SKJKKUNJVIUOQC-UHFFFAOYSA-N 0 0 346.408 1.729 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)C2)n1 ZINC000163855817 529693316 /nfs/dbraw/zinc/69/33/16/529693316.db2.gz FMCMFTNAYMYCBT-AAEUAGOBSA-N 0 0 336.461 1.825 10 0 EDAERN Cn1cccc(C(=O)NCC2(c3cccs3)CCOCC2)c1=O ZINC000049521356 214013925 /nfs/dbraw/zinc/01/39/25/214013925.db2.gz ZGQARVQLQIMLEW-UHFFFAOYSA-N 0 0 332.425 1.925 10 0 EDAERN Nc1cc(C(=O)N[C@@H]2CCCNC2=O)c(Br)cc1F ZINC000061089239 214655375 /nfs/dbraw/zinc/65/53/75/214655375.db2.gz WQMQPLCCXZQVTE-SNVBAGLBSA-N 0 0 330.157 1.179 10 0 EDAERN O=C(Nc1ccccc1)[C@@H]1C=CC([N+](=O)[O-])=C([N+](=O)[O-])[C@]1(O)Cl ZINC000098090990 219083411 /nfs/dbraw/zinc/08/34/11/219083411.db2.gz DWTYPNIVYUDLQB-ZANVPECISA-N 0 0 339.691 1.504 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)CC[C@H]2NC(=O)NC2=O)o1 ZINC000129464206 529712716 /nfs/dbraw/zinc/71/27/16/529712716.db2.gz AGQXEFFOKPTOOD-OLZOCXBDSA-N 0 0 333.388 1.884 10 0 EDAERN CC1(C)O[C@H]2[C@H](O1)[C@@H](O[C@@H]1CCCCO1)[C@H]1OC(C)(C)O[C@H]1[C@@H]2O ZINC000100034712 219089165 /nfs/dbraw/zinc/08/91/65/219089165.db2.gz RBMFKHVXPPMSDD-VVRFCBCGSA-N 0 0 344.404 1.313 10 0 EDAERN CCc1ccc(S(=O)(=O)N2CCN(c3nnc(C)o3)CC2)s1 ZINC000062121345 214699657 /nfs/dbraw/zinc/69/96/57/214699657.db2.gz ZYIJYUOARQUWMX-UHFFFAOYSA-N 0 0 342.446 1.513 10 0 EDAERN O=C1NCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000062159956 214702914 /nfs/dbraw/zinc/70/29/14/214702914.db2.gz IVPZWMKBNPQRAZ-HNNXBMFYSA-N 0 0 334.372 1.688 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccc(F)cc2OC(F)F)C1 ZINC000174043492 529789533 /nfs/dbraw/zinc/78/95/33/529789533.db2.gz BREQNHJWVGDBGQ-SNVBAGLBSA-N 0 0 333.310 1.879 10 0 EDAERN CN(C)c1cnn(CC(=O)c2cccc(Br)c2)c(=O)c1 ZINC000165216558 529801333 /nfs/dbraw/zinc/80/13/33/529801333.db2.gz JQJSDFWRCWUHDY-UHFFFAOYSA-N 0 0 336.189 1.955 10 0 EDAERN CN(C)c1ccnc(C(=O)N(C)C[C@@H](O)COCc2ccccc2)c1 ZINC000132230713 529796328 /nfs/dbraw/zinc/79/63/28/529796328.db2.gz LTXJDKPJXNVTSM-QGZVFWFLSA-N 0 0 343.427 1.797 10 0 EDAERN O=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CCc2[nH]cnc2C1 ZINC000049380797 214003888 /nfs/dbraw/zinc/00/38/88/214003888.db2.gz FHUIIWZSFBBRTF-UHFFFAOYSA-N 0 0 343.362 1.376 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)c1cc(N)cc(Br)c1 ZINC000165684031 529924092 /nfs/dbraw/zinc/92/40/92/529924092.db2.gz DNVYGIUZYWPCMU-LLVKDONJSA-N 0 0 326.194 1.382 10 0 EDAERN NS(=O)(=O)c1cc(Cl)c(N2CCOCC2=O)c(Cl)c1 ZINC000725244657 539382504 /nfs/dbraw/zinc/38/25/04/539382504.db2.gz QNHJUYGQZTYCNG-UHFFFAOYSA-N 0 0 325.173 1.004 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn(Cc2cccs2)nn1 ZINC000177683344 231956773 /nfs/dbraw/zinc/95/67/73/231956773.db2.gz OPFRPNMMBDPXMA-LBPRGKRZSA-N 0 0 343.416 1.553 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC(=O)NCC2CC2)[C@H]1c1ccccc1 ZINC000180916861 530040206 /nfs/dbraw/zinc/04/02/06/530040206.db2.gz RNVXYBAIESBXGC-CRAIPNDOSA-N 0 0 343.427 1.239 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2F)C1 ZINC000102102514 219186460 /nfs/dbraw/zinc/18/64/60/219186460.db2.gz VPMUWDKXGIPOIL-LBPRGKRZSA-N 0 0 335.379 1.672 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCc1cnn(C)c1 ZINC000102650445 219219056 /nfs/dbraw/zinc/21/90/56/219219056.db2.gz VLXHQLKCDLKIIG-CYBMUJFWSA-N 0 0 329.404 1.679 10 0 EDAERN CCOC[C@H](C)NS(=O)(=O)c1ccc(Br)cc1N ZINC000044687388 213640124 /nfs/dbraw/zinc/64/01/24/213640124.db2.gz PQJXXOPBWNGJSO-QMMMGPOBSA-N 0 0 337.239 1.735 10 0 EDAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1c(F)cccc1F ZINC000102660756 219219637 /nfs/dbraw/zinc/21/96/37/219219637.db2.gz JARHSWXGJYUGSW-VIFPVBQESA-N 0 0 333.356 1.927 10 0 EDAERN O=S(=O)(c1cncc(Br)c1)N1CCCC[C@H]1CCO ZINC000044243440 213613408 /nfs/dbraw/zinc/61/34/08/213613408.db2.gz OZIDVFRFTNEVOK-NSHDSACASA-N 0 0 349.250 1.770 10 0 EDAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)CC[C@H]3CCCO3)C2)c1 ZINC000245995506 539596955 /nfs/dbraw/zinc/59/69/55/539596955.db2.gz HMNONMDURRXHFP-HUUCEWRRSA-N 0 0 327.450 1.727 10 0 EDAERN CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000067362490 215136847 /nfs/dbraw/zinc/13/68/47/215136847.db2.gz ZCFVTTRSGYVFEI-RDJZCZTQSA-N 0 0 339.480 1.548 10 0 EDAERN CC(=O)Nc1ccc2nc(CN3CC[C@]([NH3+])(C(=O)[O-])C3)ccc2c1 ZINC000067457779 215148838 /nfs/dbraw/zinc/14/88/38/215148838.db2.gz XVMMVSVLPXPYQG-QGZVFWFLSA-N 0 0 328.372 1.181 10 0 EDAERN Cc1noc(-c2ccc(N3CC[C@@]4(C3)CCCN(C)C4=O)nc2)n1 ZINC000067883557 215241292 /nfs/dbraw/zinc/24/12/92/215241292.db2.gz CAGVKQVUOORCRW-QGZVFWFLSA-N 0 0 327.388 1.889 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000103961202 219333226 /nfs/dbraw/zinc/33/32/26/219333226.db2.gz ZNBFRDBSCNVVHT-SECBINFHSA-N 0 0 335.223 1.489 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)NCc1nccs1 ZINC000041011823 213408773 /nfs/dbraw/zinc/40/87/73/213408773.db2.gz MLYCDLTZFXCCNK-UHFFFAOYSA-N 0 0 348.247 1.966 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C)CC1 ZINC000068822582 215337290 /nfs/dbraw/zinc/33/72/90/215337290.db2.gz WAOYKFRAMSSPIU-OLZOCXBDSA-N 0 0 349.456 1.762 10 0 EDAERN O=S1(=O)CCC[C@](CO)(Nc2ccc(Br)cc2)C1 ZINC000069139844 215363699 /nfs/dbraw/zinc/36/36/99/215363699.db2.gz LVSNWVMUYRJGFS-GFCCVEGCSA-N 0 0 334.235 1.801 10 0 EDAERN COCCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C ZINC000040663002 213367030 /nfs/dbraw/zinc/36/70/30/213367030.db2.gz GOZSGAQTVSXIAI-INIZCTEOSA-N 0 0 346.431 1.549 10 0 EDAERN CN[C@@](Cn1nc(C)c(Br)c1C)(C(=O)OC)C1CC1 ZINC000069193835 215369204 /nfs/dbraw/zinc/36/92/04/215369204.db2.gz IJSAWBKHUVZZQH-CYBMUJFWSA-N 0 0 330.226 1.804 10 0 EDAERN COc1ccc([C@@H](CNS(C)(=O)=O)N2CCCC2)cc1OC ZINC000040616578 213359624 /nfs/dbraw/zinc/35/96/24/213359624.db2.gz FVFQCPNKGFAKQC-CYBMUJFWSA-N 0 0 328.434 1.390 10 0 EDAERN CC(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000040623711 213359332 /nfs/dbraw/zinc/35/93/32/213359332.db2.gz PPQXGJMGICZDDX-JTQLQIEISA-N 0 0 332.447 1.455 10 0 EDAERN CCn1cc(S(=O)(=O)N[C@@H](C)c2sc(C)nc2C)c(N)n1 ZINC000040517924 213331550 /nfs/dbraw/zinc/33/15/50/213331550.db2.gz SRXBSYUMMZQCQK-QMMMGPOBSA-N 0 0 329.451 1.598 10 0 EDAERN COCC(=O)NCc1nc2ccccc2n1CC(=O)NC(C)(C)C ZINC000040296381 213289887 /nfs/dbraw/zinc/28/98/87/213289887.db2.gz LASPDBAATYXZAP-UHFFFAOYSA-N 0 0 332.404 1.214 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cnc(C4CC4)nc3)CCO2)[nH]1 ZINC000177081392 540103496 /nfs/dbraw/zinc/10/34/96/540103496.db2.gz GONFDQZFEOYPJC-LBPRGKRZSA-N 0 0 329.364 1.386 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@](C)(c2ccccc2)C1)C(C)C ZINC000178445634 540110104 /nfs/dbraw/zinc/11/01/04/540110104.db2.gz RBFVJEXAJGMEEZ-CRAIPNDOSA-N 0 0 333.432 1.714 10 0 EDAERN CC(C)(C)n1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000178870238 540113569 /nfs/dbraw/zinc/11/35/69/540113569.db2.gz ITDQSDSJWOMTKU-ZDUSSCGKSA-N 0 0 345.407 1.032 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)/C=C/c3ncccc3C)CCO2)c1 ZINC000183608752 235163111 /nfs/dbraw/zinc/16/31/11/235163111.db2.gz YTZJFEMNXOKMQX-SQRWCISFSA-N 0 0 326.400 1.836 10 0 EDAERN O=C(Nc1ccnn1-c1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000179403559 540117724 /nfs/dbraw/zinc/11/77/24/540117724.db2.gz GMIHTRLKRWWEKK-DZGCQCFKSA-N 0 0 342.399 1.478 10 0 EDAERN C[C@@H](NCc1cn2cccnc2n1)c1ccc(S(N)(=O)=O)cc1 ZINC000182860834 540133746 /nfs/dbraw/zinc/13/37/46/540133746.db2.gz ZEMSJULPVGGSIK-LLVKDONJSA-N 0 0 331.401 1.228 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCn1ccnn1 ZINC000182919174 540134861 /nfs/dbraw/zinc/13/48/61/540134861.db2.gz YFBOJWCIGHUCDE-GOEBONIOSA-N 0 0 343.431 1.629 10 0 EDAERN C[C@H](CNC(=O)Nc1ncn(C2CCCCC2)n1)N1CCOCC1 ZINC000184571551 540144095 /nfs/dbraw/zinc/14/40/95/540144095.db2.gz DTMMPKIDGAKCPD-CYBMUJFWSA-N 0 0 336.440 1.626 10 0 EDAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NCC(=O)NCC1CC1 ZINC000183789028 235226377 /nfs/dbraw/zinc/22/63/77/235226377.db2.gz ZTNAUZGJILLLPL-ZYHUDNBSSA-N 0 0 325.434 1.386 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1)C1CCC1 ZINC000186185171 540150449 /nfs/dbraw/zinc/15/04/49/540150449.db2.gz GZQCOBNHCCASNV-UHFFFAOYSA-N 0 0 346.811 1.768 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000191927588 540176417 /nfs/dbraw/zinc/17/64/17/540176417.db2.gz DPTLSNBFALJWDN-XJKSGUPXSA-N 0 0 342.399 1.803 10 0 EDAERN C[C@](O)(CNC(=O)N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000184211278 235334095 /nfs/dbraw/zinc/33/40/95/235334095.db2.gz OEQPYGKYGODJGI-CJNGLKHVSA-N 0 0 349.822 1.973 10 0 EDAERN COCCN([C@H]1CCSC1)S(=O)(=O)c1cnc(Cl)s1 ZINC000038109800 213202366 /nfs/dbraw/zinc/20/23/66/213202366.db2.gz FQFYDKFGCORVCW-QMMMGPOBSA-N 0 0 342.895 1.939 10 0 EDAERN Cc1ccc(-n2cc(C(=O)N3CCC[C@@H](n4cncn4)C3)nn2)cc1 ZINC000105854446 219561878 /nfs/dbraw/zinc/56/18/78/219561878.db2.gz HBCVIWZDMQZQAQ-OAHLLOKOSA-N 0 0 337.387 1.645 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000041601160 138103331 /nfs/dbraw/zinc/10/33/31/138103331.db2.gz SCWYTZXGNMEFEW-AWEZNQCLSA-N 0 0 347.459 1.587 10 0 EDAERN Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000041600988 138103571 /nfs/dbraw/zinc/10/35/71/138103571.db2.gz ZWSWIXJOKRGXFU-HNNXBMFYSA-N 0 0 347.459 1.894 10 0 EDAERN O=C(NCCNC(=O)c1cccnc1)N[C@@H]1COc2ccccc21 ZINC000058576840 138160299 /nfs/dbraw/zinc/16/02/99/138160299.db2.gz NVGXBDAARWFMNB-CQSZACIVSA-N 0 0 326.356 1.244 10 0 EDAERN Cc1nnnn1-c1cc(NC(=O)NC[C@H]2CCCC[C@H]2O)ccc1F ZINC000077700391 138253957 /nfs/dbraw/zinc/25/39/57/138253957.db2.gz QOCQHTKQCRLKRG-IAQYHMDHSA-N 0 0 348.382 1.782 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000083562286 138269158 /nfs/dbraw/zinc/26/91/58/138269158.db2.gz OWHBPRXZOXAIAP-LLVKDONJSA-N 0 0 342.359 1.688 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000081795385 138267595 /nfs/dbraw/zinc/26/75/95/138267595.db2.gz CAXYUBGCTIPPFM-VIFPVBQESA-N 0 0 330.319 1.730 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)CCc3ccccc3O)CC2)no1 ZINC000109923304 138306735 /nfs/dbraw/zinc/30/67/35/138306735.db2.gz SAJFBDTYJRGTAT-UHFFFAOYSA-N 0 0 344.415 1.751 10 0 EDAERN COc1ccsc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000110945876 138307403 /nfs/dbraw/zinc/30/74/03/138307403.db2.gz RMJYRBZYXBNUCE-UHFFFAOYSA-N 0 0 336.417 1.796 10 0 EDAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111075826 138307650 /nfs/dbraw/zinc/30/76/50/138307650.db2.gz MIKSKDLPZMHPDG-ZFWWWQNUSA-N 0 0 340.383 1.237 10 0 EDAERN Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112657949 138309541 /nfs/dbraw/zinc/30/95/41/138309541.db2.gz WQXVWPYLCJGRPK-LLVKDONJSA-N 0 0 343.412 1.977 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)[C@H]2CC(c3ccccc3)=NO2)n1 ZINC000121083223 138316815 /nfs/dbraw/zinc/31/68/15/138316815.db2.gz FMLDRGZFCCCIQX-HUUCEWRRSA-N 0 0 342.355 1.471 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116899456 138312027 /nfs/dbraw/zinc/31/20/27/138312027.db2.gz AHQSGQJQTMXLBC-HNNXBMFYSA-N 0 0 343.497 1.584 10 0 EDAERN C[C@@H](CNC(=O)c1cnc(-c2ncccn2)s1)N1CCOCC1 ZINC000124165272 138324431 /nfs/dbraw/zinc/32/44/31/138324431.db2.gz FHUPDFCTNHNOEW-NSHDSACASA-N 0 0 333.417 1.051 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2N)C[C@@H](C)O1 ZINC000037928712 213173680 /nfs/dbraw/zinc/17/36/80/213173680.db2.gz NWGVPNMAPFFTEA-RKDXNWHRSA-N 0 0 349.250 1.829 10 0 EDAERN CC[C@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1N ZINC000037929831 213173701 /nfs/dbraw/zinc/17/37/01/213173701.db2.gz FWNFYUVLWXFGFP-JTQLQIEISA-N 0 0 349.250 1.831 10 0 EDAERN O=C(c1cc(F)c(F)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000130582785 138342319 /nfs/dbraw/zinc/34/23/19/138342319.db2.gz GZTUPKWDOFHRGC-SNVBAGLBSA-N 0 0 325.290 1.842 10 0 EDAERN Cc1cc(Br)cc(C)c1N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000037692722 213163054 /nfs/dbraw/zinc/16/30/54/213163054.db2.gz YJPZFWYMCHIRIY-GHMZBOCLSA-N 0 0 334.235 1.636 10 0 EDAERN Cn1ccc(N2CCC[C@@H](N3CC[C@H](Oc4ccncc4)C3)C2=O)n1 ZINC000131885044 138367543 /nfs/dbraw/zinc/36/75/43/138367543.db2.gz DAIAIJKNPZDDQB-JKSUJKDBSA-N 0 0 341.415 1.464 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000132846215 138383973 /nfs/dbraw/zinc/38/39/73/138383973.db2.gz RLMCNFILOSVCAK-CQSZACIVSA-N 0 0 334.347 1.730 10 0 EDAERN Cn1cc(CNc2ccc(S(N)(=O)=O)cc2Br)cn1 ZINC000037137882 213134288 /nfs/dbraw/zinc/13/42/88/213134288.db2.gz CBXZQNIBULKZCF-UHFFFAOYSA-N 0 0 345.222 1.442 10 0 EDAERN O=S(=O)(c1ccc(Br)cc1)N1CCCC[C@@H]1CO ZINC000036796807 213118524 /nfs/dbraw/zinc/11/85/24/213118524.db2.gz NNPBHDRLZPAUCH-LLVKDONJSA-N 0 0 334.235 1.985 10 0 EDAERN Cc1cccc2nc(CNC(=O)N3CC(NC(=O)C4CC4)C3)cn21 ZINC000187065609 236108265 /nfs/dbraw/zinc/10/82/65/236108265.db2.gz DXUULFYWVHTBBO-UHFFFAOYSA-N 0 0 327.388 1.063 10 0 EDAERN CCOC(=O)C(=O)N1CCN(C)[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000036133086 213071864 /nfs/dbraw/zinc/07/18/64/213071864.db2.gz XWBWMPNLSUOFDS-CYBMUJFWSA-N 0 0 336.388 1.082 10 0 EDAERN COCCN1[C@H](C)CN(C(=O)c2c(OC)cccc2OC)C[C@H]1C ZINC000036123350 213070349 /nfs/dbraw/zinc/07/03/49/213070349.db2.gz ZWXSRBWJTQWIDP-ZIAGYGMSSA-N 0 0 336.432 1.885 10 0 EDAERN Cc1c(Cl)cccc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187921353 236342794 /nfs/dbraw/zinc/34/27/94/236342794.db2.gz SPEUAEQIMLPWAZ-UHFFFAOYSA-N 0 0 328.821 1.548 10 0 EDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)C3=Cc4ccccc4OC3)C2)cn1 ZINC000187965265 236362418 /nfs/dbraw/zinc/36/24/18/236362418.db2.gz HOVMJKFBGAYTIS-CQSZACIVSA-N 0 0 345.424 1.973 10 0 EDAERN COc1cccc(OCC(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000127442195 138616116 /nfs/dbraw/zinc/61/61/16/138616116.db2.gz VGEJGSBUQMUIFU-AWEZNQCLSA-N 0 0 330.388 1.604 10 0 EDAERN O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1cnccc1Cl ZINC000071204224 215745231 /nfs/dbraw/zinc/74/52/31/215745231.db2.gz ODMCQWRIFQZJKV-NSHDSACASA-N 0 0 329.809 1.167 10 0 EDAERN C[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C(=O)[O-] ZINC000035387693 213024908 /nfs/dbraw/zinc/02/49/08/213024908.db2.gz ABYVUTNRQNSFMD-ZETCQYMHSA-N 0 0 326.150 1.020 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)C[C@H]1CCCOC1)CC2 ZINC000161567867 138643583 /nfs/dbraw/zinc/64/35/83/138643583.db2.gz UIIRIJVXJCSIBL-ZIAGYGMSSA-N 0 0 335.452 1.784 10 0 EDAERN Nc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1Br ZINC000071384143 215766826 /nfs/dbraw/zinc/76/68/26/215766826.db2.gz YRJWBIIAJRGAIK-UHFFFAOYSA-N 0 0 349.250 1.613 10 0 EDAERN CC(C)[C@H](C)CNC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000172360261 138664499 /nfs/dbraw/zinc/66/44/99/138664499.db2.gz JOGGVHPDIFRYLQ-VXGBXAGGSA-N 0 0 327.450 1.986 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cnccn1)CC2 ZINC000172607891 138665905 /nfs/dbraw/zinc/66/59/05/138665905.db2.gz ZRSUZZMYKNMZLF-GFCCVEGCSA-N 0 0 329.408 1.348 10 0 EDAERN COC(=O)C1CCN(C(=O)c2c(C)nc3c(OC)cccn32)CC1 ZINC000071462540 215777618 /nfs/dbraw/zinc/77/76/18/215777618.db2.gz FJIRMPLOSMNGPU-UHFFFAOYSA-N 0 0 331.372 1.677 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H]2CC=CCC2)ncn1 ZINC000175089928 138691338 /nfs/dbraw/zinc/69/13/38/138691338.db2.gz HLCUYPCKQIXGTH-KBPBESRZSA-N 0 0 330.436 1.895 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NCCCC(=O)NC1CC1 ZINC000175614862 138698008 /nfs/dbraw/zinc/69/80/08/138698008.db2.gz VVZNYHLVHHENAU-CQSZACIVSA-N 0 0 333.432 1.950 10 0 EDAERN O=C(NCc1nnc2n1CCCCC2)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178482771 138742106 /nfs/dbraw/zinc/74/21/06/138742106.db2.gz BQYPBGNOXNEDTB-KSSFIOAISA-N 0 0 347.463 1.841 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc3c(c1)N(C)CC3)CC2 ZINC000180278616 138758280 /nfs/dbraw/zinc/75/82/80/138758280.db2.gz VWAIXBIYZPWBIO-CQSZACIVSA-N 0 0 340.431 1.969 10 0 EDAERN Cc1ccc(NC(=O)N2CCN(Cc3nnnn3C(C)C)CC2)cc1 ZINC000180471637 138759532 /nfs/dbraw/zinc/75/95/32/138759532.db2.gz VFUAACBKNUBSQB-UHFFFAOYSA-N 0 0 343.435 1.912 10 0 EDAERN C[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1ccc(Cl)s1 ZINC000180936436 138763205 /nfs/dbraw/zinc/76/32/05/138763205.db2.gz LGPFHKHMDXFLGD-MRVPVSSYSA-N 0 0 341.824 1.915 10 0 EDAERN CCN(Cc1ccc(Br)s1)C(=O)C[NH2+][C@@H](C)C(=O)[O-] ZINC000035387520 213024343 /nfs/dbraw/zinc/02/43/43/213024343.db2.gz SDTHGUKXTPXWKY-QMMMGPOBSA-N 0 0 349.250 1.922 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000189662722 237119172 /nfs/dbraw/zinc/11/91/72/237119172.db2.gz TVPHWQFBDKMFFP-AWEZNQCLSA-N 0 0 341.333 1.930 10 0 EDAERN Cc1nscc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181716182 138770966 /nfs/dbraw/zinc/77/09/66/138770966.db2.gz PCJZALQOQPUVDY-QMMMGPOBSA-N 0 0 325.415 1.590 10 0 EDAERN CCc1c(C)nc2n(c1=O)CN(CCO)CN2c1cccc(C)c1 ZINC000072442671 216235176 /nfs/dbraw/zinc/23/51/76/216235176.db2.gz NZSJGWPCLSWSTD-UHFFFAOYSA-N 0 0 328.416 1.784 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccc(C(N)=O)cc3)CCO2)cn1 ZINC000190267492 238346891 /nfs/dbraw/zinc/34/68/91/238346891.db2.gz JTZKTSKUISNWGL-HNNXBMFYSA-N 0 0 343.387 1.607 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cnc1Cl ZINC000130854988 223182408 /nfs/dbraw/zinc/18/24/08/223182408.db2.gz PJVHPSUEUHZCMH-ZYHUDNBSSA-N 0 0 325.796 1.649 10 0 EDAERN Cn1nccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000131464168 223235258 /nfs/dbraw/zinc/23/52/58/223235258.db2.gz LZEZELVELHCVDB-ZBFHGGJFSA-N 0 0 330.363 1.395 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)/C=C/c3ccc[nH]3)C2=O)n(C)n1 ZINC000188223392 138834646 /nfs/dbraw/zinc/83/46/46/138834646.db2.gz JBSCXGRMKSODKX-NPQIQWPPSA-N 0 0 327.388 1.382 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000188506170 138843424 /nfs/dbraw/zinc/84/34/24/138843424.db2.gz KHZYOGJZDUTFPV-CQSZACIVSA-N 0 0 337.807 1.484 10 0 EDAERN COC(=O)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171792511 283790629 /nfs/dbraw/zinc/79/06/29/283790629.db2.gz CKUXHNRAUWLDOX-WMLDXEAASA-N 0 0 332.400 1.666 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000189284337 138866478 /nfs/dbraw/zinc/86/64/78/138866478.db2.gz DATAHJZOBXYLRQ-OAHLLOKOSA-N 0 0 344.459 1.826 10 0 EDAERN CC(C)[C@@H](C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000021872265 212256755 /nfs/dbraw/zinc/25/67/55/212256755.db2.gz LETZRCCYYXJWGI-CQSZACIVSA-N 0 0 329.400 1.219 10 0 EDAERN COc1cccc(C(=O)NC[C@H](c2cccn2C)N2CCOCC2)c1 ZINC000021152309 212213162 /nfs/dbraw/zinc/21/31/62/212213162.db2.gz JWFCLNPOFMSXGD-GOSISDBHSA-N 0 0 343.427 1.837 10 0 EDAERN C[C@@H]1Nc2ncnn2[C@@H](c2ccc(Br)cc2)[C@@H]1C(N)=O ZINC000020803467 212173339 /nfs/dbraw/zinc/17/33/39/212173339.db2.gz LRTMKZPUNHFPLD-XROYCOCOSA-N 0 0 336.193 1.546 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000191645633 138920075 /nfs/dbraw/zinc/92/00/75/138920075.db2.gz UEFVVSXJNYKVCR-QWRGUYRKSA-N 0 0 326.343 1.626 10 0 EDAERN Cc1cc(C)c(C(=O)C[C@@H](N2CCOCC2)C(F)(F)F)c(=O)[nH]1 ZINC000019874550 212078504 /nfs/dbraw/zinc/07/85/04/212078504.db2.gz XLCQPLARZZQQJC-GFCCVEGCSA-N 0 0 332.322 1.828 10 0 EDAERN Cc1noc2ncnc(N(C)[C@H]3CCCN(c4cccnn4)C3)c12 ZINC000193394201 138968147 /nfs/dbraw/zinc/96/81/47/138968147.db2.gz KMSWHVWBQKVHKG-LBPRGKRZSA-N 0 0 325.376 1.821 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C[C@H](C)N1CCCCC1=O)CC2 ZINC000193510499 138971331 /nfs/dbraw/zinc/97/13/31/138971331.db2.gz CPSDUVFUDMQWRK-UONOGXRCSA-N 0 0 347.463 1.624 10 0 EDAERN CN1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1 ZINC000040672140 213366899 /nfs/dbraw/zinc/36/68/99/213366899.db2.gz TYLIPDBWMOMTIB-SECBINFHSA-N 0 0 338.260 1.948 10 0 EDAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCOC[C@H]3C)cc2C1 ZINC000040669724 213366979 /nfs/dbraw/zinc/36/69/79/213366979.db2.gz ZCJRQSFTGMLYKM-GFCCVEGCSA-N 0 0 338.429 1.001 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccnc(F)c3F)CCO2)n1 ZINC000194291369 138989273 /nfs/dbraw/zinc/98/92/73/138989273.db2.gz MKYAGFHLORUPLS-GFCCVEGCSA-N 0 0 336.342 1.714 10 0 EDAERN CCOc1cc(C)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077938389 217003977 /nfs/dbraw/zinc/00/39/77/217003977.db2.gz SKQOBYQCLAKNQF-ZFWWWQNUSA-N 0 0 334.416 2.000 10 0 EDAERN COc1ccccc1-n1ncc(C(=O)NC[C@@H]2CN(C)CCO2)c1C ZINC000195152936 139007993 /nfs/dbraw/zinc/00/79/93/139007993.db2.gz CENXNEDYRBSWHS-CQSZACIVSA-N 0 0 344.415 1.250 10 0 EDAERN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000195201051 139010085 /nfs/dbraw/zinc/01/00/85/139010085.db2.gz ZFOCVOAIYAGGSU-IXDOHACOSA-N 0 0 333.407 1.798 10 0 EDAERN COC[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1N ZINC000045665166 213748707 /nfs/dbraw/zinc/74/87/07/213748707.db2.gz SLXGYSJBLDFTGY-MRVPVSSYSA-N 0 0 337.239 1.592 10 0 EDAERN CC(C)(NC(=O)[C@H]1CNC(=O)C1)c1ccc(Br)cc1 ZINC000110353492 220032884 /nfs/dbraw/zinc/03/28/84/220032884.db2.gz BEAVZOPZVXJQGZ-SECBINFHSA-N 0 0 325.206 1.937 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@@H](CO)C2)c(Br)c1 ZINC000226735556 139022009 /nfs/dbraw/zinc/02/20/09/139022009.db2.gz KTKCXBCGBJGEMR-GFCCVEGCSA-N 0 0 344.205 1.429 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000135281374 223564814 /nfs/dbraw/zinc/56/48/14/223564814.db2.gz GNIJUMYQFWEKCV-OAHLLOKOSA-N 0 0 339.399 1.509 10 0 EDAERN CN(C(=O)CNC(=O)CC(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000136351264 223642881 /nfs/dbraw/zinc/64/28/81/223642881.db2.gz FKNVHZVWXJNVCR-AWEZNQCLSA-N 0 0 347.463 1.456 10 0 EDAERN COc1cc(F)c(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)cc1OC ZINC000237108013 139040919 /nfs/dbraw/zinc/04/09/19/139040919.db2.gz ZBIKULCNTMFPAR-CQSZACIVSA-N 0 0 332.397 1.249 10 0 EDAERN CC(C)(C)C(=O)NCCCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110885886 220075641 /nfs/dbraw/zinc/07/56/41/220075641.db2.gz QQMNUZQMUYDPAI-GFCCVEGCSA-N 0 0 339.461 1.986 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CC3(Cl)Cl)CCO2)n1 ZINC000110904953 220077998 /nfs/dbraw/zinc/07/79/98/220077998.db2.gz KSQLZPWJSUJHIJ-RYUDHWBXSA-N 0 0 332.231 1.921 10 0 EDAERN Cc1cccc(O[C@H](C)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111084474 220098005 /nfs/dbraw/zinc/09/80/05/220098005.db2.gz ROUNHHNRJYSLEP-NVXWUHKLSA-N 0 0 329.400 1.886 10 0 EDAERN CCc1ccc(OCC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111086176 220098811 /nfs/dbraw/zinc/09/88/11/220098811.db2.gz UKTKQZLPHXOQLU-KRWDZBQOSA-N 0 0 329.400 1.752 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111359958 220145400 /nfs/dbraw/zinc/14/54/00/220145400.db2.gz LRZYALIMIJBECA-LLVKDONJSA-N 0 0 342.808 1.021 10 0 EDAERN C[C@@H](NC(=O)NCCCNC(=O)c1cccc(F)c1)[C@@H]1CCCO1 ZINC000111451827 220156821 /nfs/dbraw/zinc/15/68/21/220156821.db2.gz GMZVQOZENIZYJL-DOMZBBRYSA-N 0 0 337.395 1.812 10 0 EDAERN CCOCCCNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000111793420 220191764 /nfs/dbraw/zinc/19/17/64/220191764.db2.gz BXQSSFYVZUCWFF-LBPRGKRZSA-N 0 0 325.413 1.193 10 0 EDAERN COCCCCNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000111820899 220198228 /nfs/dbraw/zinc/19/82/28/220198228.db2.gz DQXGAUVTQKNQJQ-GFCCVEGCSA-N 0 0 325.413 1.193 10 0 EDAERN Cn1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)ccc1=O ZINC000081341807 217384934 /nfs/dbraw/zinc/38/49/34/217384934.db2.gz VGWDNQRBCCGZQE-ZDUSSCGKSA-N 0 0 335.404 1.515 10 0 EDAERN CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000081486012 217404758 /nfs/dbraw/zinc/40/47/58/217404758.db2.gz MQSHUMSOKFZIJP-JKSUJKDBSA-N 0 0 333.432 1.787 10 0 EDAERN O=C(CNC(=O)c1ccccc1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238872285 139070043 /nfs/dbraw/zinc/07/00/43/139070043.db2.gz NEVRYVBIQLZKSL-OAHLLOKOSA-N 0 0 325.368 1.491 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)CSCc3ccccn3)CCO2)c1 ZINC000112064048 220236513 /nfs/dbraw/zinc/23/65/13/220236513.db2.gz GYGTXHZZOKMXEJ-INIZCTEOSA-N 0 0 346.456 1.747 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3)CCO2)c1 ZINC000112064569 220237755 /nfs/dbraw/zinc/23/77/55/220237755.db2.gz LBTYWEUNLDUBQU-NVXWUHKLSA-N 0 0 329.400 1.886 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000083566051 217545573 /nfs/dbraw/zinc/54/55/73/217545573.db2.gz UTHVFJGVSHKMGH-CYBMUJFWSA-N 0 0 328.376 1.650 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@](C)(O)c1ccsc1 ZINC000083750195 217555183 /nfs/dbraw/zinc/55/51/83/217555183.db2.gz MLZTUSDCJGJASY-WFASDCNBSA-N 0 0 335.433 1.690 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246309175 139103690 /nfs/dbraw/zinc/10/36/90/139103690.db2.gz CIZZEWZQRRGSFU-XDNAFOTISA-N 0 0 337.508 1.819 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)C1 ZINC000246407295 139107272 /nfs/dbraw/zinc/10/72/72/139107272.db2.gz KNKGZNXFFQMUPU-DLBZAZTESA-N 0 0 335.423 1.873 10 0 EDAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000246622030 139115523 /nfs/dbraw/zinc/11/55/23/139115523.db2.gz JZLXYUIGUBFALQ-KSZLIROESA-N 0 0 345.443 1.705 10 0 EDAERN Cn1ccc(N2CCC[C@H](N3CC[C@@H](Oc4cccnc4)C3)C2=O)n1 ZINC000246703482 139117929 /nfs/dbraw/zinc/11/79/29/139117929.db2.gz NJZMEQKMZFCMCG-CVEARBPZSA-N 0 0 341.415 1.464 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C[C@@H]1C ZINC000246798814 139122055 /nfs/dbraw/zinc/12/20/55/139122055.db2.gz RDUPHKMHGKXTMW-NJSLBKSFSA-N 0 0 346.427 1.072 10 0 EDAERN Cc1ccc(O[C@H](C)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000246892807 139125832 /nfs/dbraw/zinc/12/58/32/139125832.db2.gz HFCOKORUIGKJMG-JZXOWHBKSA-N 0 0 332.444 1.941 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N2CCc3ccccc32)C[C@H]1C ZINC000247169600 139138621 /nfs/dbraw/zinc/13/86/21/139138621.db2.gz MWFZWECEZBDUOV-HZPDHXFCSA-N 0 0 331.460 1.617 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2COc3ccccc3C2)C[C@@H]1C ZINC000247201947 139140327 /nfs/dbraw/zinc/14/03/27/139140327.db2.gz TZSFHAPSVVRGFT-RDJZCZTQSA-N 0 0 332.444 1.807 10 0 EDAERN Cc1ccc(OC[C@H](O)CN2CCO[C@@H](Cn3cccn3)C2)c(C)c1 ZINC000247381492 139146687 /nfs/dbraw/zinc/14/66/87/139146687.db2.gz VXWRGCXROWBZKD-QZTJIDSGSA-N 0 0 345.443 1.641 10 0 EDAERN Cc1cnn(C[C@H]2CN([C@H](C)C(=O)N(C(C)C)C(C)C)CCO2)c1 ZINC000247394114 139147370 /nfs/dbraw/zinc/14/73/70/139147370.db2.gz XNORBWXICZBUBM-IAGOWNOFSA-N 0 0 336.480 1.926 10 0 EDAERN O=C(Cn1cncn1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012439349 211382297 /nfs/dbraw/zinc/38/22/97/211382297.db2.gz RINLXDRXYOMUIC-CQSZACIVSA-N 0 0 343.387 1.152 10 0 EDAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091785561 218065991 /nfs/dbraw/zinc/06/59/91/218065991.db2.gz XITLMYUYVIXSTI-HIFRSBDPSA-N 0 0 334.416 1.598 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000091783643 218066205 /nfs/dbraw/zinc/06/62/05/218066205.db2.gz GJFDUVOUFNQVLR-CQSZACIVSA-N 0 0 335.791 1.398 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1C(F)(F)F ZINC000091783675 218066207 /nfs/dbraw/zinc/06/62/07/218066207.db2.gz CPHGXJFNVPGHJB-ZWNOBZJWSA-N 0 0 344.333 1.912 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC000248801620 139175920 /nfs/dbraw/zinc/17/59/20/139175920.db2.gz QJJMUTRVAGQTDR-LSDHHAIUSA-N 0 0 340.464 1.678 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)cc(Cl)c1 ZINC000092929719 218181614 /nfs/dbraw/zinc/18/16/14/218181614.db2.gz KIPABSZUZAWAOQ-CYBMUJFWSA-N 0 0 331.775 1.294 10 0 EDAERN CCOCCOc1cccc(C(=O)NC(=S)N[C@@H](CC)CO)c1 ZINC000009866602 211128167 /nfs/dbraw/zinc/12/81/67/211128167.db2.gz SQKVWEZYIAHMQT-ZDUSSCGKSA-N 0 0 340.445 1.477 10 0 EDAERN Cc1csc([C@@H]2CN(S(=O)(=O)N3CCC[C@@H](C)C3)CCO2)n1 ZINC000249220565 139189472 /nfs/dbraw/zinc/18/94/72/139189472.db2.gz FXVHBDWNZHETQJ-YPMHNXCESA-N 0 0 345.490 1.802 10 0 EDAERN Cc1noc([C@H]2COCCN2C[C@@H](O)c2c(F)cccc2F)n1 ZINC000249380708 139192176 /nfs/dbraw/zinc/19/21/76/139192176.db2.gz ZWFJWGRPISRUID-CHWSQXEVSA-N 0 0 325.315 1.763 10 0 EDAERN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000093884996 218255146 /nfs/dbraw/zinc/25/51/46/218255146.db2.gz HXQBGKYPJHOZEH-SWLSCSKDSA-N 0 0 332.791 1.663 10 0 EDAERN CCOc1cc([C@H]2NC(=O)[C@@H]3COCCN32)ccc1OCC(C)C ZINC000093883035 218255555 /nfs/dbraw/zinc/25/55/55/218255555.db2.gz DGIDITPRBLCFRR-YOEHRIQHSA-N 0 0 334.416 1.949 10 0 EDAERN COc1cc(F)cc(CNC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000094018278 218260715 /nfs/dbraw/zinc/26/07/15/218260715.db2.gz GLSALHYGRGNEJA-GFCCVEGCSA-N 0 0 325.384 1.354 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000249594397 139196336 /nfs/dbraw/zinc/19/63/36/139196336.db2.gz WKLPMYYZUAFBEZ-CZUORRHYSA-N 0 0 340.370 1.321 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](CS(=O)(=O)c2cnccn2)C1 ZINC000095085513 218276815 /nfs/dbraw/zinc/27/68/15/218276815.db2.gz QNOMMHUERNZXQZ-GFCCVEGCSA-N 0 0 341.433 1.897 10 0 EDAERN CCn1cnnc1[C@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000249862185 139199348 /nfs/dbraw/zinc/19/93/48/139199348.db2.gz GMGVXULKFQFPPQ-DZGCQCFKSA-N 0 0 331.395 1.843 10 0 EDAERN O=C(c1ncncc1Cl)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000329026841 296307250 /nfs/dbraw/zinc/30/72/50/296307250.db2.gz OHJHCIRYOSRLRM-GWCFXTLKSA-N 0 0 334.807 1.746 10 0 EDAERN COCCN1CCN(C(=O)c2csc(-c3cnccn3)n2)C[C@H]1C ZINC000172228129 532963386 /nfs/dbraw/zinc/96/33/86/532963386.db2.gz WZDOHJJWLXTLEU-GFCCVEGCSA-N 0 0 347.444 1.393 10 0 EDAERN COC[C@H](C)N(C)S(=O)(=O)c1ccc(Br)c(N)c1 ZINC000148159694 532987763 /nfs/dbraw/zinc/98/77/63/532987763.db2.gz YWQXTAZSQIPRJZ-QMMMGPOBSA-N 0 0 337.239 1.687 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000153525647 224117928 /nfs/dbraw/zinc/11/79/28/224117928.db2.gz FOHLKUJWKCTABV-HNNXBMFYSA-N 0 0 326.462 1.052 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(OCc2cccnc2)c1 ZINC000112647001 220362034 /nfs/dbraw/zinc/36/20/34/220362034.db2.gz BNYDNGLSYYNPPZ-MRXNPFEDSA-N 0 0 349.394 1.997 10 0 EDAERN Cc1ccc(C2(C(=O)N[C@H]3CCc4ncnn4C3)CCOCC2)cc1 ZINC000112652481 220364334 /nfs/dbraw/zinc/36/43/34/220364334.db2.gz PJISNCQWJKQUMT-INIZCTEOSA-N 0 0 340.427 1.766 10 0 EDAERN COc1ccc2c(CC(=O)N[C@@H]3CCc4ncnn4C3)coc2c1 ZINC000112656284 220365485 /nfs/dbraw/zinc/36/54/85/220365485.db2.gz NBCRYUZPFAHVBK-GFCCVEGCSA-N 0 0 326.356 1.707 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000112659795 220367168 /nfs/dbraw/zinc/36/71/68/220367168.db2.gz YIGLGWNHGUBGTH-QMMMGPOBSA-N 0 0 332.364 1.701 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000112663692 220368003 /nfs/dbraw/zinc/36/80/03/220368003.db2.gz QKMMUAUCMXMLLS-AWEZNQCLSA-N 0 0 325.372 1.371 10 0 EDAERN Cc1nc2ccccc2n1CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112741097 220392916 /nfs/dbraw/zinc/39/29/16/220392916.db2.gz MHWMPYSAUTZWSZ-CYBMUJFWSA-N 0 0 339.403 1.250 10 0 EDAERN O=C(NCCOc1cccc(Cl)c1)N[C@H]1CCc2ncnn2C1 ZINC000112744480 220393835 /nfs/dbraw/zinc/39/38/35/220393835.db2.gz ZEZGVEBYDPGPJY-LBPRGKRZSA-N 0 0 335.795 1.625 10 0 EDAERN COc1cccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)c1OC ZINC000112744913 220394500 /nfs/dbraw/zinc/39/45/00/220394500.db2.gz CTYGZUDUVZRHBC-GFCCVEGCSA-N 0 0 331.376 1.110 10 0 EDAERN Cc1cccc2[nH]cc(CCNC(=O)N[C@H]3CCc4ncnn4C3)c21 ZINC000112748685 220397172 /nfs/dbraw/zinc/39/71/72/220397172.db2.gz TYXWMFBRHXIBBI-AWEZNQCLSA-N 0 0 338.415 1.925 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000187645130 533125979 /nfs/dbraw/zinc/12/59/79/533125979.db2.gz HMFYSAJHUHXWTD-GOSISDBHSA-N 0 0 341.367 1.400 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)C[C@H]1C ZINC000117274641 221039983 /nfs/dbraw/zinc/03/99/83/221039983.db2.gz ODAZLYVJFYBHBL-HZPDHXFCSA-N 0 0 339.480 1.204 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3ccccc3c2O)C[C@@H]1C ZINC000117282191 221041120 /nfs/dbraw/zinc/04/11/20/221041120.db2.gz OBDYPHOASJBLLT-AWEZNQCLSA-N 0 0 343.427 1.711 10 0 EDAERN COCCN1CCN(C(=O)CNC(=O)CCC2CCCC2)C[C@@H]1C ZINC000117284051 221043700 /nfs/dbraw/zinc/04/37/00/221043700.db2.gz RTHXQCZGBHYPTQ-HNNXBMFYSA-N 0 0 339.480 1.252 10 0 EDAERN COCCN1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)C[C@@H]1C ZINC000117296240 221046904 /nfs/dbraw/zinc/04/69/04/221046904.db2.gz XDVXCAGWTGFYOG-LBPRGKRZSA-N 0 0 334.445 1.931 10 0 EDAERN COCC[N@@H+]1CCN(Cc2c([O-])nnn2-c2ccccc2)C[C@@H]1C ZINC000117323142 221053267 /nfs/dbraw/zinc/05/32/67/221053267.db2.gz LBCNGOREGZTLHF-AWEZNQCLSA-N 0 0 331.420 1.125 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117522568 221074087 /nfs/dbraw/zinc/07/40/87/221074087.db2.gz UJTHVJZQCVQIHC-OAHLLOKOSA-N 0 0 347.459 1.757 10 0 EDAERN Cc1cnn(CCNC(=O)NCCc2cnn(-c3ccccc3)c2)c1 ZINC000118056970 221109828 /nfs/dbraw/zinc/10/98/28/221109828.db2.gz TYXIHUBOHDQWPO-UHFFFAOYSA-N 0 0 338.415 1.919 10 0 EDAERN COC(=O)c1ccc(C)c(S(=O)(=O)NCCn2cc(C)cn2)c1 ZINC000117927435 221101147 /nfs/dbraw/zinc/10/11/47/221101147.db2.gz BYTOACJFRIOVAJ-UHFFFAOYSA-N 0 0 337.401 1.265 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(N(C)C)ccn2)C1 ZINC000117973023 221103068 /nfs/dbraw/zinc/10/30/68/221103068.db2.gz LLDGDWWUHHJAMB-CYBMUJFWSA-N 0 0 328.420 1.779 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)o1 ZINC000117959948 221103184 /nfs/dbraw/zinc/10/31/84/221103184.db2.gz KLYQYKWEYIDCKV-YPMHNXCESA-N 0 0 331.376 1.487 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccccc2OCc2noc(C)n2)c1 ZINC000117810777 221092023 /nfs/dbraw/zinc/09/20/23/221092023.db2.gz YBQGFNUCMHWOPI-UHFFFAOYSA-N 0 0 341.371 1.892 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000118081237 221112652 /nfs/dbraw/zinc/11/26/52/221112652.db2.gz SVUUHTAROBDZAQ-OAHLLOKOSA-N 0 0 349.479 1.774 10 0 EDAERN COc1ccc(OCCN(C)C(=O)NCCn2cc(C)cn2)cc1 ZINC000118078757 221112827 /nfs/dbraw/zinc/11/28/27/221112827.db2.gz MRNSADXDTFQCKY-UHFFFAOYSA-N 0 0 332.404 1.921 10 0 EDAERN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCCn2cc(C)cn2)C1 ZINC000118077770 221112895 /nfs/dbraw/zinc/11/28/95/221112895.db2.gz WYDWUPGHWJUXQO-CVEARBPZSA-N 0 0 349.479 1.918 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000118115267 221121145 /nfs/dbraw/zinc/12/11/45/221121145.db2.gz IVFXRHQRZUHXCO-LBPRGKRZSA-N 0 0 345.321 1.091 10 0 EDAERN O=C(Nc1cccnc1-n1cncn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119155140 221254960 /nfs/dbraw/zinc/25/49/60/221254960.db2.gz ZZNAELCJYYITJS-SUMWQHHRSA-N 0 0 342.403 1.821 10 0 EDAERN CC(C)OC(=O)[C@H](C)CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119496750 221333100 /nfs/dbraw/zinc/33/31/00/221333100.db2.gz AQMOVMUXGLXGLO-CPUCHLNUSA-N 0 0 326.437 1.911 10 0 EDAERN O=C(NCCOc1ccc(Cl)cn1)N[C@H]1CCCC[C@@H]1CO ZINC000119772586 221397365 /nfs/dbraw/zinc/39/73/65/221397365.db2.gz WQXFTBRSQBWXTH-YPMHNXCESA-N 0 0 327.812 1.964 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2c(s1)CCOC2 ZINC000155003151 224341594 /nfs/dbraw/zinc/34/15/94/224341594.db2.gz RCGDSYQVMCINBH-LLVKDONJSA-N 0 0 348.428 1.824 10 0 EDAERN Cc1cncc(CO[C@H]2CCOC3(CN(S(C)(=O)=O)C3)C2)c1 ZINC000253604593 257657408 /nfs/dbraw/zinc/65/74/08/257657408.db2.gz YXYLVVRYQYHBBO-AWEZNQCLSA-N 0 0 326.418 1.100 10 0 EDAERN CS(=O)(=O)CCC[C@@H](Cc1ccc(Br)cc1)NN ZINC000166100759 533355176 /nfs/dbraw/zinc/35/51/76/533355176.db2.gz IGFRLQKHTDWKKU-LBPRGKRZSA-N 0 0 335.267 1.648 10 0 EDAERN CS(=O)(=O)[C@@H]1CCC[C@H](S(=O)(=O)c2ccc(F)cc2N)C1 ZINC000165509234 533430318 /nfs/dbraw/zinc/43/03/18/533430318.db2.gz KDXZSPUOTZQFKA-MNOVXSKESA-N 0 0 335.422 1.537 10 0 EDAERN Cc1cc(CN2CCN(C(=O)c3nnc(Cl)s3)CC2)on1 ZINC000157144927 533616574 /nfs/dbraw/zinc/61/65/74/533616574.db2.gz VYYWRPADBHPVEE-UHFFFAOYSA-N 0 0 327.797 1.446 10 0 EDAERN C[C@H](NC(=O)NC[C@](C)(O)c1ccccc1)c1nnc2n1CCCC2 ZINC000153558766 533653630 /nfs/dbraw/zinc/65/36/30/533653630.db2.gz IMLDYZUWPYMTFV-UGSOOPFHSA-N 0 0 343.431 1.882 10 0 EDAERN COc1ccc(C(=O)NC[C@@H]2CN(c3ccccc3)C(=O)CO2)cc1 ZINC000041401361 132409995 /nfs/dbraw/zinc/40/99/95/132409995.db2.gz RBRCRXPRXLTDKG-QGZVFWFLSA-N 0 0 340.379 1.857 10 0 EDAERN CC(C)NS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000062366115 132436200 /nfs/dbraw/zinc/43/62/00/132436200.db2.gz YYJVJZNDQDIXLU-UHFFFAOYSA-N 0 0 347.462 1.054 10 0 EDAERN O=C(c1cccc2c1OCC(=O)N2)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000329346571 140710667 /nfs/dbraw/zinc/71/06/67/140710667.db2.gz CFPGNJLJBXKVAB-UONOGXRCSA-N 0 0 332.356 1.687 10 0 EDAERN Cn1cc([C@]2(C)CN(C(=O)C[C@@H]3CCCCNC3=O)CCO2)cn1 ZINC000329373028 140713701 /nfs/dbraw/zinc/71/37/01/140713701.db2.gz JRZJLFQFUSVMGM-GUYCJALGSA-N 0 0 334.420 1.641 10 0 EDAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000329451981 140725963 /nfs/dbraw/zinc/72/59/63/140725963.db2.gz CVHGHBXITBBMMU-WOGUSJMUSA-N 0 0 345.439 1.591 10 0 EDAERN C[C@H]1C[C@@H](NC(=O)Cn2ncc(=O)c3ccccc32)C[N@@H+]1C1CC1 ZINC000333366958 141306397 /nfs/dbraw/zinc/30/63/97/141306397.db2.gz YGDCNYPBYPPMJD-QWHCGFSZSA-N 0 0 326.400 1.138 10 0 EDAERN Cn1ccnc(N2CCC[C@@H](Nc3cnc4c(n3)CCCC4)C2)c1=O ZINC000333466926 141321852 /nfs/dbraw/zinc/32/18/52/141321852.db2.gz CXZGSKBYVAXAEB-CYBMUJFWSA-N 0 0 340.431 1.530 10 0 EDAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCc3cccnc32)C1 ZINC000333518254 141330664 /nfs/dbraw/zinc/33/06/64/141330664.db2.gz VNOYWZQDWZSSSQ-KBPBESRZSA-N 0 0 337.445 1.040 10 0 EDAERN O=C(NC[C@@H](O)CO)c1cc(C(F)(F)F)ccc1Br ZINC000159795460 225279907 /nfs/dbraw/zinc/27/99/07/225279907.db2.gz CSNJFGKLVFZTOG-SSDOTTSWSA-N 0 0 342.111 1.551 10 0 EDAERN Cc1ccccc1-c1c(Cl)[nH]c(=O)n(CC[S@](C)=O)c1=O ZINC000159678283 225259274 /nfs/dbraw/zinc/25/92/74/225259274.db2.gz PEGPWRNHJZNBRC-OAQYLSRUSA-N 0 0 326.805 1.544 10 0 EDAERN Cc1ccc(NC(=O)C[C@H](O)C(C)C)cc1N1CCCS1(=O)=O ZINC000160730324 225463799 /nfs/dbraw/zinc/46/37/99/225463799.db2.gz QGAQMSRQDXAHGY-HNNXBMFYSA-N 0 0 340.445 1.880 10 0 EDAERN O=C(Nc1nccnn1)c1csc(I)c1 ZINC000163165059 225929418 /nfs/dbraw/zinc/92/94/18/225929418.db2.gz NNYVWRBHLNOGJL-UHFFFAOYSA-N 0 0 332.126 1.790 10 0 EDAERN C[C@H](CC[S@@](C)=O)NC(=O)c1sc(N2CCCC2)nc1N ZINC000163721832 226010040 /nfs/dbraw/zinc/01/00/40/226010040.db2.gz WLYBUIRHPOPWFB-BTKVJGODSA-N 0 0 330.479 1.212 10 0 EDAERN Cc1ccc(Br)c(NC[C@H](O)CN2CCOCC2)c1 ZINC000163950629 226033695 /nfs/dbraw/zinc/03/36/95/226033695.db2.gz JBNATWRVCBUQNV-LBPRGKRZSA-N 0 0 329.238 1.863 10 0 EDAERN Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(=O)[O-])c(Br)c1 ZINC000163834218 226022775 /nfs/dbraw/zinc/02/27/75/226022775.db2.gz RHPJWCPKLXEOKN-NSHDSACASA-N 0 0 327.178 1.256 10 0 EDAERN CS(=O)(=O)CC[C@H](N)C(=O)[C@H]1CCOC2(CCSCC2)C1 ZINC000167119834 226180937 /nfs/dbraw/zinc/18/09/37/226180937.db2.gz LXZUYSMNKJVBFK-RYUDHWBXSA-N 0 0 335.491 1.010 10 0 EDAERN [NH3+]C[C@H]1CCC[C@H]1COc1nc[n-]c(=O)c1I ZINC000165303736 226119802 /nfs/dbraw/zinc/11/98/02/226119802.db2.gz GKCLSPDFROQMKQ-SFYZADRCSA-N 0 0 349.172 1.128 10 0 EDAERN [NH3+][C@@H]1CCCCC[C@H]1Oc1nc[n-]c(=O)c1I ZINC000165312126 226119844 /nfs/dbraw/zinc/11/98/44/226119844.db2.gz XGNIRNPSCXDGET-HTQZYQBOSA-N 0 0 349.172 1.413 10 0 EDAERN Nc1cc(I)c(F)cc1N1CC[C@@H](CO)C1 ZINC000165705255 226133039 /nfs/dbraw/zinc/13/30/39/226133039.db2.gz SFKRNTCAYLMSLS-SSDOTTSWSA-N 0 0 336.148 1.831 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CN2CC(C)(C)OC2=O)CC1 ZINC000124200658 287395592 /nfs/dbraw/zinc/39/55/92/287395592.db2.gz IVMLMLUFHKBFGO-UHFFFAOYSA-N 0 0 335.452 1.343 10 0 EDAERN Cc1cc([S@@](=O)C[C@H]2CCCN(S(C)(=O)=O)C2)ccc1N ZINC000165719781 226133878 /nfs/dbraw/zinc/13/38/78/226133878.db2.gz IJNBLPAORVQUHD-FKIZINRSSA-N 0 0 330.475 1.356 10 0 EDAERN C[C@@]1(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)COC[C@@H]1[NH3+] ZINC000166645524 226164656 /nfs/dbraw/zinc/16/46/56/226164656.db2.gz OCBIFEQDVQYUML-GXFFZTMASA-N 0 0 343.177 1.450 10 0 EDAERN O=C1CC[C@@H]2CN(c3cc(Br)ccc3CO)CCN12 ZINC000168626791 226219828 /nfs/dbraw/zinc/21/98/28/226219828.db2.gz LYYGGNBGGBGAQA-GFCCVEGCSA-N 0 0 325.206 1.752 10 0 EDAERN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000168699292 226221392 /nfs/dbraw/zinc/22/13/92/226221392.db2.gz IXDQCBLPDYCJFC-DMWPKQFHSA-N 0 0 345.273 1.621 10 0 EDAERN Nc1ccc(-c2nnnn2C[C@@H]2CCCS2(=O)=O)cc1Cl ZINC000168702890 226221690 /nfs/dbraw/zinc/22/16/90/226221690.db2.gz ZCHDVIBLXYTKHU-VIFPVBQESA-N 0 0 327.797 1.153 10 0 EDAERN O=S1(=O)CC[C@H]([C@@H](CO)Cc2cncc(Br)c2)C1 ZINC000168953547 226228520 /nfs/dbraw/zinc/22/85/20/226228520.db2.gz IGYWZHDXCZFVSB-WDEREUQCSA-N 0 0 334.235 1.430 10 0 EDAERN Cc1nnc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)s1 ZINC000170487878 226624617 /nfs/dbraw/zinc/62/46/17/226624617.db2.gz NKSSNMGBQKCNSE-UHFFFAOYSA-N 0 0 331.445 1.875 10 0 EDAERN Fc1cc(F)c(CN2CCN(c3ccc4nncn4n3)CC2)cc1F ZINC000120507833 221599202 /nfs/dbraw/zinc/59/92/02/221599202.db2.gz HRPDJOJQZQSXOW-UHFFFAOYSA-N 0 0 348.332 1.864 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)cnc1Br ZINC000121245155 221796418 /nfs/dbraw/zinc/79/64/18/221796418.db2.gz FUVOCSPENMSKOA-SNVBAGLBSA-N 0 0 342.193 1.074 10 0 EDAERN CN(C(=O)COc1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122576229 222117087 /nfs/dbraw/zinc/11/70/87/222117087.db2.gz HHJXDAAYKYISCB-HNNXBMFYSA-N 0 0 326.400 1.983 10 0 EDAERN COCCN1CCN(C(=O)CCc2nc(-c3ccoc3)no2)C[C@H]1C ZINC000123183536 222229814 /nfs/dbraw/zinc/22/98/14/222229814.db2.gz GPUILZGQJWYJGO-CYBMUJFWSA-N 0 0 348.403 1.441 10 0 EDAERN Cc1nc(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)no1 ZINC000123282711 222248711 /nfs/dbraw/zinc/24/87/11/222248711.db2.gz YFQMAKKQTRGOCI-UHFFFAOYSA-N 0 0 338.433 1.242 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000124006014 222363314 /nfs/dbraw/zinc/36/33/14/222363314.db2.gz XLQPFEYGCAQNGU-BLLLJJGKSA-N 0 0 332.400 1.955 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000124741356 222472295 /nfs/dbraw/zinc/47/22/95/222472295.db2.gz KZDZOOUBXXYKET-AWEZNQCLSA-N 0 0 342.403 1.263 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NCc1ccc(Cl)cc1 ZINC000171704322 227232185 /nfs/dbraw/zinc/23/21/85/227232185.db2.gz YPAPFXWVOFOAEX-OAHLLOKOSA-N 0 0 333.823 1.885 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)COCc3ccccc3)CCO2)c1 ZINC000171827523 227302745 /nfs/dbraw/zinc/30/27/45/227302745.db2.gz WZCAVOMWVWWSKB-KRWDZBQOSA-N 0 0 329.400 1.636 10 0 EDAERN Cc1nccn1C[C@H](C)CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171905690 227352307 /nfs/dbraw/zinc/35/23/07/227352307.db2.gz LBOBZGKRMRZPOM-ZBFHGGJFSA-N 0 0 346.435 1.135 10 0 EDAERN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000172002420 227413936 /nfs/dbraw/zinc/41/39/36/227413936.db2.gz UIDAAWBEURWEPG-VIFPVBQESA-N 0 0 325.294 1.745 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc2cccnc21 ZINC000172205410 227538516 /nfs/dbraw/zinc/53/85/16/227538516.db2.gz UFQAUBFXNUEZFQ-GFCCVEGCSA-N 0 0 329.385 1.120 10 0 EDAERN O=C(c1cnc(-c2ccccn2)s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172755674 227865422 /nfs/dbraw/zinc/86/54/22/227865422.db2.gz QRRKUUIPTJISLU-CYBMUJFWSA-N 0 0 344.440 1.752 10 0 EDAERN Cc1ccc([C@@H](C)NCC(=O)Nc2cccc(S(N)(=O)=O)c2)o1 ZINC000193639203 272997465 /nfs/dbraw/zinc/99/74/65/272997465.db2.gz ZPQNUKCAETURBA-LLVKDONJSA-N 0 0 337.401 1.525 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccc(F)c(-n2nnnc2C)c1)C(C)C ZINC000178938804 267598718 /nfs/dbraw/zinc/59/87/18/267598718.db2.gz JLWDFURYWMYDCS-CYBMUJFWSA-N 0 0 349.370 1.002 10 0 EDAERN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)[C@H]1CNC(=O)C1 ZINC000194823794 267866585 /nfs/dbraw/zinc/86/65/85/267866585.db2.gz LFUWUGQKWISAIQ-NXEZZACHSA-N 0 0 330.306 1.725 10 0 EDAERN O=C(NCCc1cc(Br)ccc1F)[C@@H]1CNC(=O)C1 ZINC000194829280 267867406 /nfs/dbraw/zinc/86/74/06/267867406.db2.gz RDMRUTUKGOTJPI-VIFPVBQESA-N 0 0 329.169 1.383 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCC1CCOCC1)C(C)C ZINC000194979537 267876639 /nfs/dbraw/zinc/87/66/39/267876639.db2.gz IWRYWPZZGDRNFW-KRWDZBQOSA-N 0 0 348.443 1.992 10 0 EDAERN C[C@@H](CNC(=O)N(C)CCOc1ccccc1F)N1CCOCC1 ZINC000046263884 272912342 /nfs/dbraw/zinc/91/23/42/272912342.db2.gz KSXSHUREUOEKMX-AWEZNQCLSA-N 0 0 339.411 1.567 10 0 EDAERN CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000048061457 272914149 /nfs/dbraw/zinc/91/41/49/272914149.db2.gz AGCWZYCDJJDCIB-GFCCVEGCSA-N 0 0 331.438 1.620 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000177653901 272941550 /nfs/dbraw/zinc/94/15/50/272941550.db2.gz SLSIRQZYUSGJOM-HNNXBMFYSA-N 0 0 342.399 1.366 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)C(C)C ZINC000247208891 278720538 /nfs/dbraw/zinc/72/05/38/278720538.db2.gz VNLPXUKCGREPEZ-GUTXKFCHSA-N 0 0 346.493 1.207 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cc3c(s2)CCOC3)n1 ZINC000186605922 279258476 /nfs/dbraw/zinc/25/84/76/279258476.db2.gz YQCBHJZJOBRZBS-LLVKDONJSA-N 0 0 335.385 1.726 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCCC2(O)CCOCC2)C[C@]12CCCO2 ZINC000334084931 280044349 /nfs/dbraw/zinc/04/43/49/280044349.db2.gz LLYRXKRATJJCRP-WMLDXEAASA-N 0 0 326.437 1.517 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000186239837 280994146 /nfs/dbraw/zinc/99/41/46/280994146.db2.gz XWUVONAGPWPNRJ-GVDBMIGSSA-N 0 0 341.496 1.678 10 0 EDAERN CC1(C)CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@]2(CCCOC2)O1 ZINC000330078697 281200384 /nfs/dbraw/zinc/20/03/84/281200384.db2.gz NTKDDJUDTHACCW-KDOFPFPSSA-N 0 0 333.432 1.632 10 0 EDAERN CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195281315 281893411 /nfs/dbraw/zinc/89/34/11/281893411.db2.gz PMHYVJMASHCDIM-KGLIPLIRSA-N 0 0 347.463 1.624 10 0 EDAERN CN(C)c1nc(N)nc(CN2C[C@H](c3ccccc3)OCC2(C)C)n1 ZINC000083170498 289432373 /nfs/dbraw/zinc/43/23/73/289432373.db2.gz YGIWQFDFDLHXHK-CQSZACIVSA-N 0 0 342.447 1.872 10 0 EDAERN C[C@H](CNC(=O)N[C@H]1CCOc2ccc(F)cc21)N1CCOCC1 ZINC000069064400 289672768 /nfs/dbraw/zinc/67/27/68/289672768.db2.gz JCRBSDGPMOQRCN-DOMZBBRYSA-N 0 0 337.395 1.669 10 0 EDAERN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCOC[C@@H]1C(N)=O ZINC000092228684 293800929 /nfs/dbraw/zinc/80/09/29/293800929.db2.gz GDBZNEFWNGENTN-OAHLLOKOSA-N 0 0 348.834 1.579 10 0 EDAERN COc1ccc(-n2cc([O-])c(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000181047925 295050726 /nfs/dbraw/zinc/05/07/26/295050726.db2.gz YRUBDRZUFKTZCF-CQSZACIVSA-N 0 0 342.399 1.507 10 0 EDAERN Nc1cccc2c1CCCN2C(=O)CN1c2ccccc2OCC1=O ZINC000261900397 295363378 /nfs/dbraw/zinc/36/33/78/295363378.db2.gz VYBARIUORCDYGR-UHFFFAOYSA-N 0 0 337.379 1.974 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262124943 301648295 /nfs/dbraw/zinc/64/82/95/301648295.db2.gz WJWVPAPQLRQDBP-AWEZNQCLSA-N 0 0 339.461 1.566 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000186827057 301649155 /nfs/dbraw/zinc/64/91/55/301649155.db2.gz OOJTUCDGRZBNAK-FZMZJTMJSA-N 0 0 325.434 1.094 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000105848057 302775742 /nfs/dbraw/zinc/77/57/42/302775742.db2.gz DWSSUKHKJJEIGF-UONOGXRCSA-N 0 0 333.436 1.491 10 0 EDAERN Cn1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000299743103 303656735 /nfs/dbraw/zinc/65/67/35/303656735.db2.gz JXFHKMLOIWMMKY-VXGBXAGGSA-N 0 0 339.317 1.914 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000044403151 440844793 /nfs/dbraw/zinc/84/47/93/440844793.db2.gz CRVSENXTEZJNFO-CYBMUJFWSA-N 0 0 328.771 1.937 10 0 EDAERN Cc1cncc(N2CCN(C(=O)c3cccc4nsnc43)CC2)n1 ZINC000012366665 441132382 /nfs/dbraw/zinc/13/23/82/441132382.db2.gz XWGNRRXKTAQAQF-UHFFFAOYSA-N 0 0 340.412 1.752 10 0 EDAERN NC(=O)C[C@@H]1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)C1 ZINC000080683211 441188998 /nfs/dbraw/zinc/18/89/98/441188998.db2.gz NKHAAUXKVOTOHJ-LBPRGKRZSA-N 0 0 346.818 1.978 10 0 EDAERN Cn1c2ccc(S(=O)(=O)N[C@@H]3COc4ccccc43)cc2oc1=O ZINC000058507034 441199713 /nfs/dbraw/zinc/19/97/13/441199713.db2.gz LGYNVKYLFQHHGD-GFCCVEGCSA-N 0 0 346.364 1.544 10 0 EDAERN Cc1ccc(CN2Cc3nc[nH]c3C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000015676236 441208251 /nfs/dbraw/zinc/20/82/51/441208251.db2.gz YQXSSFWEJBUGDH-SFHVURJKSA-N 0 0 340.427 1.504 10 0 EDAERN Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CC1 ZINC000015827696 441211514 /nfs/dbraw/zinc/21/15/14/441211514.db2.gz SHCABKFBJNASIY-UHFFFAOYSA-N 0 0 345.424 1.669 10 0 EDAERN COc1cccc(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 ZINC000015923596 441213209 /nfs/dbraw/zinc/21/32/09/441213209.db2.gz TTYJKDNCPPPPPV-LBPRGKRZSA-N 0 0 338.363 1.996 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(CN3CCCC3=O)cc2)C1 ZINC000105281910 441247684 /nfs/dbraw/zinc/24/76/84/441247684.db2.gz RUBQOTWLDNPRSK-INIZCTEOSA-N 0 0 346.431 1.261 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000105281416 441248390 /nfs/dbraw/zinc/24/83/90/441248390.db2.gz MSYRYZCQDGQYHG-SNVBAGLBSA-N 0 0 333.310 1.879 10 0 EDAERN O=C(c1ccc(-n2ccnc2)nc1)N1CCC(Nc2cccnn2)CC1 ZINC000105814689 441276862 /nfs/dbraw/zinc/27/68/62/441276862.db2.gz RAURLMGBBITSLT-UHFFFAOYSA-N 0 0 349.398 1.774 10 0 EDAERN C[S@@](=O)c1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cc1 ZINC000105814432 441276983 /nfs/dbraw/zinc/27/69/83/441276983.db2.gz QGOODBOHZLGIHU-DEOSSOPVSA-N 0 0 344.440 1.931 10 0 EDAERN COCCN1CCN(CC(=O)NCCOc2cccc(C)c2)C[C@H]1C ZINC000105832442 441286226 /nfs/dbraw/zinc/28/62/26/441286226.db2.gz GDGPKKVHTOWLCO-QGZVFWFLSA-N 0 0 349.475 1.143 10 0 EDAERN CCc1ccc([C@@H](C)NS(=O)(=O)CCNS(=O)(=O)CC)cc1 ZINC000081547405 441287814 /nfs/dbraw/zinc/28/78/14/441287814.db2.gz RKNSOBSEHFINQS-GFCCVEGCSA-N 0 0 348.490 1.169 10 0 EDAERN CCc1ccc([C@H](C)NS(=O)(=O)CCNS(=O)(=O)CC)cc1 ZINC000081547406 441287820 /nfs/dbraw/zinc/28/78/20/441287820.db2.gz RKNSOBSEHFINQS-LBPRGKRZSA-N 0 0 348.490 1.169 10 0 EDAERN COCCN1CCN(CC(=O)NCc2ccc(COC)cc2)C[C@H]1C ZINC000105833886 441287851 /nfs/dbraw/zinc/28/78/51/441287851.db2.gz UVQBNNSBPZBRMG-MRXNPFEDSA-N 0 0 349.475 1.102 10 0 EDAERN Cc1cccc(OCCNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000017479727 441243572 /nfs/dbraw/zinc/24/35/72/441243572.db2.gz VCFGIVBZKJRKJO-HOTGVXAUSA-N 0 0 342.395 1.441 10 0 EDAERN O=c1nc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)[n-]c2ccsc21 ZINC000106176226 441327994 /nfs/dbraw/zinc/32/79/94/441327994.db2.gz GHJNFHWUBCJADY-NSHDSACASA-N 0 0 330.417 1.488 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000106368220 441335204 /nfs/dbraw/zinc/33/52/04/441335204.db2.gz ARRJCHOTSNKCTL-NSHDSACASA-N 0 0 326.447 1.928 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000106397385 441338465 /nfs/dbraw/zinc/33/84/65/441338465.db2.gz LRSJUAMUSSXVJX-CQSZACIVSA-N 0 0 339.823 1.194 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1ccc2ncccc2c1)N1CCOCC1 ZINC000062110707 441297251 /nfs/dbraw/zinc/29/72/51/441297251.db2.gz FUZPYJHHZUVSSH-CYBMUJFWSA-N 0 0 342.399 1.010 10 0 EDAERN Cc1cc(C)cc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105888845 441307888 /nfs/dbraw/zinc/30/78/88/441307888.db2.gz FARCFRDDBMWGPJ-QGZVFWFLSA-N 0 0 328.416 1.839 10 0 EDAERN Cc1ccccc1NC(=O)[C@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105888127 441308012 /nfs/dbraw/zinc/30/80/12/441308012.db2.gz MDJKTIGGDAXIPI-HOTGVXAUSA-N 0 0 328.416 1.920 10 0 EDAERN Cc1ccsc1CNC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105890436 441309103 /nfs/dbraw/zinc/30/91/03/441309103.db2.gz XXTOFDNOPOHJLI-AWEZNQCLSA-N 0 0 334.445 1.270 10 0 EDAERN CCc1nc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)sc1C ZINC000105890309 441309320 /nfs/dbraw/zinc/30/93/20/441309320.db2.gz QUIYUHYBUUNQBI-CYBMUJFWSA-N 0 0 349.460 1.550 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccccc3F)CCO2)c1 ZINC000105891891 441310311 /nfs/dbraw/zinc/31/03/11/441310311.db2.gz TVRABYYHSMNOLS-INIZCTEOSA-N 0 0 346.406 1.348 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893586 441311188 /nfs/dbraw/zinc/31/11/88/441311188.db2.gz GANVNZAVWFEZKE-XKQJLSEDSA-N 0 0 336.480 1.894 10 0 EDAERN COC(=O)[C@@H](C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105916619 441315688 /nfs/dbraw/zinc/31/56/88/441315688.db2.gz XLYJZXNKSULYJO-OAHLLOKOSA-N 0 0 328.416 1.551 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925204 441317059 /nfs/dbraw/zinc/31/70/59/441317059.db2.gz YRLQSMYGXYSFHR-JJRVBVJISA-N 0 0 337.439 1.654 10 0 EDAERN Cc1ccccc1CCNC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925977 441317185 /nfs/dbraw/zinc/31/71/85/441317185.db2.gz IFZRZIGDDCPTNA-FUHWJXTLSA-N 0 0 333.476 1.305 10 0 EDAERN CSc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000105925997 441317790 /nfs/dbraw/zinc/31/77/90/441317790.db2.gz ZXFULXCYHRQHAZ-UKRRQHHQSA-N 0 0 337.489 1.998 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@H](C)c1cccs1 ZINC000063821946 441356184 /nfs/dbraw/zinc/35/61/84/441356184.db2.gz VWAMBTXBXAUZGD-SNVBAGLBSA-N 0 0 331.397 1.971 10 0 EDAERN COc1nccnc1N1CC[C@H](NC(=O)COc2ccccc2C)C1 ZINC000065268680 441412684 /nfs/dbraw/zinc/41/26/84/441412684.db2.gz UPGMZORTZBHVKX-AWEZNQCLSA-N 0 0 342.399 1.568 10 0 EDAERN Cc1ccc(CNC(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)cc1 ZINC000065311207 441416651 /nfs/dbraw/zinc/41/66/51/441416651.db2.gz BKJWCGFQRYFNLD-UHFFFAOYSA-N 0 0 326.400 1.611 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@H](O)c2ccc3ccccc3c2)C1 ZINC000109149432 441490201 /nfs/dbraw/zinc/49/02/01/441490201.db2.gz WKFRBRPBDNWVBA-ROUUACIJSA-N 0 0 343.427 1.503 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCC(C)(C)CO ZINC000086406471 441464803 /nfs/dbraw/zinc/46/48/03/441464803.db2.gz GXGZEQZIUZAFOT-CQSZACIVSA-N 0 0 327.469 1.828 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000031349886 441522437 /nfs/dbraw/zinc/52/24/37/441522437.db2.gz NCRVJDFXUHFTRQ-GFCCVEGCSA-N 0 0 344.367 1.528 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccccc1F ZINC000088816973 441524213 /nfs/dbraw/zinc/52/42/13/441524213.db2.gz QBPRDGCFPBBPND-LBPRGKRZSA-N 0 0 331.351 1.569 10 0 EDAERN C[S@@](=O)c1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111076212 441529193 /nfs/dbraw/zinc/52/91/93/441529193.db2.gz FOWFXVJJDGFELB-FATZIPQQSA-N 0 0 333.413 1.162 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111343521 441534936 /nfs/dbraw/zinc/53/49/36/441534936.db2.gz LLNPOPMGDFNFTI-JTQLQIEISA-N 0 0 329.403 1.510 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NC[C@@H](C)Cn3cccn3)CCO2)c1 ZINC000112108770 441544952 /nfs/dbraw/zinc/54/49/52/441544952.db2.gz CRGFYIRABLYZFM-ZBFHGGJFSA-N 0 0 346.435 1.135 10 0 EDAERN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@@H]1CNC(=O)C1)C1CC1 ZINC000112816748 441559399 /nfs/dbraw/zinc/55/93/99/441559399.db2.gz QCTJSWYOQRWEHX-HOCLYGCPSA-N 0 0 344.411 1.288 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(-n2ccnn2)cc1 ZINC000089829440 441584100 /nfs/dbraw/zinc/58/41/00/441584100.db2.gz FUQNGBMHADTEOL-HNNXBMFYSA-N 0 0 349.398 1.456 10 0 EDAERN Cc1ccc(O)c(Cn2c3ccccc3nc2NCCOCCO)n1 ZINC000033819638 441597622 /nfs/dbraw/zinc/59/76/22/441597622.db2.gz NDZMGQWUEOOMBW-UHFFFAOYSA-N 0 0 342.399 1.914 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCS(=O)(=O)C(C)(C)C)cn1 ZINC000113395090 441605664 /nfs/dbraw/zinc/60/56/64/441605664.db2.gz QUOSJLMSVKLDHY-CYBMUJFWSA-N 0 0 342.465 1.480 10 0 EDAERN C[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000091091742 441660168 /nfs/dbraw/zinc/66/01/68/441660168.db2.gz RONYPOQXBMMSKR-DOMZBBRYSA-N 0 0 326.824 1.600 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2 ZINC000114863075 441692954 /nfs/dbraw/zinc/69/29/54/441692954.db2.gz JOFVVMSERITHKA-WDEREUQCSA-N 0 0 337.424 1.185 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173336659 441718157 /nfs/dbraw/zinc/71/81/57/441718157.db2.gz PYPVONSFEDUMJN-DOTOQJQBSA-N 0 0 335.448 1.564 10 0 EDAERN CCOCCCNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173313808 441711464 /nfs/dbraw/zinc/71/14/64/441711464.db2.gz GBDWFNZFDPFEQK-CYBMUJFWSA-N 0 0 336.440 1.213 10 0 EDAERN O=C(c1cccc(-n2cncn2)c1)N1CCCN(c2cccnn2)CC1 ZINC000115372078 441731895 /nfs/dbraw/zinc/73/18/95/441731895.db2.gz WISIFWJOORCGCL-UHFFFAOYSA-N 0 0 349.398 1.410 10 0 EDAERN CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000121741523 441768773 /nfs/dbraw/zinc/76/87/73/441768773.db2.gz FLDOZVHYUJIYNG-NSHDSACASA-N 0 0 348.428 1.857 10 0 EDAERN C[C@H]1CN(c2ccc(NC(=O)NC[C@@H]3CN(C)CCO3)cc2)CCO1 ZINC000173398453 441734588 /nfs/dbraw/zinc/73/45/88/441734588.db2.gz CRAOZKLDLMPWNZ-WMLDXEAASA-N 0 0 348.447 1.364 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc(C)cn2)ncn1 ZINC000173413601 441742352 /nfs/dbraw/zinc/74/23/52/441742352.db2.gz TYPIGGDMYIADNW-LBPRGKRZSA-N 0 0 327.392 1.016 10 0 EDAERN OC[C@H]1O[C@@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000077271639 441744411 /nfs/dbraw/zinc/74/44/11/441744411.db2.gz GCCFBDFJFARWGD-IYWMVGAKSA-N 0 0 344.407 1.909 10 0 in-vitro EDAERN COc1ccc([C@@H](CCO)NC(=O)NCCn2cc(C)cn2)cc1 ZINC000121650734 441751826 /nfs/dbraw/zinc/75/18/26/441751826.db2.gz QJZQDFNINLPJHC-MRXNPFEDSA-N 0 0 332.404 1.623 10 0 EDAERN Cn1cc([C@@H]2[C@@H](C(=O)NOCc3ccccc3)CCC(=O)N2C)cn1 ZINC000115320698 441725280 /nfs/dbraw/zinc/72/52/80/441725280.db2.gz REEHMDFINXWSMP-DOTOQJQBSA-N 0 0 342.399 1.578 10 0 EDAERN C[C@@H](NC(=O)c1cc(I)c[nH]1)[C@@H]1CCCO1 ZINC000115332136 441726421 /nfs/dbraw/zinc/72/64/21/441726421.db2.gz RCBMKQGKXKEDPC-XCBNKYQSSA-N 0 0 334.157 1.917 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3cn(Cc4cccs4)nn3)C2)cn1 ZINC000173378096 441728995 /nfs/dbraw/zinc/72/89/95/441728995.db2.gz HDFBUBHOONAWRO-LBPRGKRZSA-N 0 0 342.428 1.751 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)Nc3nnc(C(C)(C)C)s3)C2)cn1 ZINC000137494243 441773081 /nfs/dbraw/zinc/77/30/81/441773081.db2.gz LYKKYADSOYWCNV-NSHDSACASA-N 0 0 348.476 1.997 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)CCC3CCCC3)CCO2)[nH]1 ZINC000173514521 441774500 /nfs/dbraw/zinc/77/45/00/441774500.db2.gz ADKZVDZVSZVQAR-CQSZACIVSA-N 0 0 349.435 1.100 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1nnc2n1CCCC2 ZINC000121765555 441777271 /nfs/dbraw/zinc/77/72/71/441777271.db2.gz AVMJIQWITAQZGX-SECBINFHSA-N 0 0 342.371 1.932 10 0 EDAERN Cc1ncsc1CNC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000159074613 441785867 /nfs/dbraw/zinc/78/58/67/441785867.db2.gz RFOCPZQKYSSKAG-UHFFFAOYSA-N 0 0 349.460 1.730 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(OC(F)F)cc3)CCO2)[nH]1 ZINC000173546549 441787439 /nfs/dbraw/zinc/78/74/39/441787439.db2.gz UYNKANAZXFIGPW-LBPRGKRZSA-N 0 0 338.314 1.928 10 0 EDAERN CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(F)ccc1F ZINC000121822051 441788445 /nfs/dbraw/zinc/78/84/45/441788445.db2.gz XQVYMPPNHMFPSH-GFCCVEGCSA-N 0 0 327.375 1.996 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000173559107 441791696 /nfs/dbraw/zinc/79/16/96/441791696.db2.gz LZAIYNIONLPORP-OAHLLOKOSA-N 0 0 327.388 1.957 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Cc3c[nH]c4cc(F)ccc34)CCO2)[nH]1 ZINC000173605932 441803827 /nfs/dbraw/zinc/80/38/27/441803827.db2.gz SOFJGIPABJOGAS-HNNXBMFYSA-N 0 0 343.362 1.876 10 0 EDAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173624248 441806924 /nfs/dbraw/zinc/80/69/24/441806924.db2.gz URTHGIDOMOCPPT-VXGBXAGGSA-N 0 0 336.440 1.135 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2ccco2)cc1 ZINC000116291037 441808941 /nfs/dbraw/zinc/80/89/41/441808941.db2.gz CDSJGJKRGPTOAE-AWEZNQCLSA-N 0 0 349.412 1.703 10 0 EDAERN COc1ccc(CNC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116322562 441812849 /nfs/dbraw/zinc/81/28/49/441812849.db2.gz GLHKMPCJCIHTCF-OAHLLOKOSA-N 0 0 328.416 1.534 10 0 EDAERN Cc1cccc(OCCNC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116323936 441812873 /nfs/dbraw/zinc/81/28/73/441812873.db2.gz INFZGZWMJHDZRS-MRXNPFEDSA-N 0 0 342.443 1.713 10 0 EDAERN COC[C@H](C)CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000139346480 441813079 /nfs/dbraw/zinc/81/30/79/441813079.db2.gz FFNXUMGHBLBUDZ-DGCLKSJQSA-N 0 0 326.418 1.487 10 0 EDAERN O=C(N[C@H](CCCO)c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173911404 441860401 /nfs/dbraw/zinc/86/04/01/441860401.db2.gz DCXIPPNTXIJKRC-QZTJIDSGSA-N 0 0 347.459 1.616 10 0 EDAERN C[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)N(C)c1ccccc1 ZINC000077793227 441861930 /nfs/dbraw/zinc/86/19/30/441861930.db2.gz QONHWQPKCIZODB-CVEARBPZSA-N 0 0 334.464 1.531 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)no1 ZINC000173979890 441872868 /nfs/dbraw/zinc/87/28/68/441872868.db2.gz PWHFYBZCGFKXDK-OCCSQVGLSA-N 0 0 337.424 1.163 10 0 EDAERN Cc1c([N+](=O)[O-])c(N[N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000139649518 441822339 /nfs/dbraw/zinc/82/23/39/441822339.db2.gz NGGMYYTWFJWNRN-UHFFFAOYSA-N 0 0 332.141 1.231 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C2)cn1 ZINC000116466340 441824552 /nfs/dbraw/zinc/82/45/52/441824552.db2.gz REOQFJUXIBZAML-LLVKDONJSA-N 0 0 348.353 1.444 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116586642 441831669 /nfs/dbraw/zinc/83/16/69/441831669.db2.gz IEQKJHYRCKFHNH-LBPRGKRZSA-N 0 0 330.363 1.822 10 0 EDAERN COCc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173775897 441838339 /nfs/dbraw/zinc/83/83/39/441838339.db2.gz SRRSDHCXPYRVJS-QGZVFWFLSA-N 0 0 333.432 1.449 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC000116755521 441841346 /nfs/dbraw/zinc/84/13/46/441841346.db2.gz QUKQHUDHAOIUKB-CQSZACIVSA-N 0 0 341.415 1.951 10 0 EDAERN C[C@@H](COCc1ccccc1)NS(=O)(=O)c1ncn(C)c1Cl ZINC000173793703 441842173 /nfs/dbraw/zinc/84/21/73/441842173.db2.gz VJJOIRFOMZBUQW-NSHDSACASA-N 0 0 343.836 1.957 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@@H]1CC ZINC000116772355 441842338 /nfs/dbraw/zinc/84/23/38/441842338.db2.gz HWBOPGKERSQHKW-KRWDZBQOSA-N 0 0 347.459 1.893 10 0 EDAERN Cc1ccc(C)c(OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173813136 441844624 /nfs/dbraw/zinc/84/46/24/441844624.db2.gz ZJBRALLSCUEINL-SJORKVTESA-N 0 0 332.444 1.861 10 0 EDAERN O=C(NCCCc1cccc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173856646 441851860 /nfs/dbraw/zinc/85/18/60/441851860.db2.gz BGXZGRNTEUGDDD-QGZVFWFLSA-N 0 0 335.423 1.874 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(C(C)C)nn3C)CCO2)n1 ZINC000174217741 441904767 /nfs/dbraw/zinc/90/47/67/441904767.db2.gz WAKOKAVOVNXCFD-HNNXBMFYSA-N 0 0 345.447 1.898 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC(=O)NCC(F)(F)F ZINC000174236343 441905709 /nfs/dbraw/zinc/90/57/09/441905709.db2.gz XAYMTVAEARMODC-JTQLQIEISA-N 0 0 339.358 1.654 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CC=CCC3)C2=O)n(C)n1 ZINC000174372091 441918820 /nfs/dbraw/zinc/91/88/20/441918820.db2.gz VXAOTCWIXJSCPG-CABCVRRESA-N 0 0 345.447 1.879 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124948926 441969364 /nfs/dbraw/zinc/96/93/64/441969364.db2.gz VTJPVLDDWFVMES-UHFFFAOYSA-N 0 0 334.445 1.748 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cnc2ccccc2c1O ZINC000125064696 441979670 /nfs/dbraw/zinc/97/96/70/441979670.db2.gz OOEOIMDATXZYBP-ZDUSSCGKSA-N 0 0 349.394 1.717 10 0 EDAERN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000174862417 441976373 /nfs/dbraw/zinc/97/63/73/441976373.db2.gz RNXLDWDNQUQNCF-GOEBONIOSA-N 0 0 348.447 1.738 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000119934073 441978011 /nfs/dbraw/zinc/97/80/11/441978011.db2.gz KUBLWJDAQUCBRO-CQSZACIVSA-N 0 0 336.436 1.723 10 0 EDAERN CC(C)[C@H](C(=O)N1CCC(c2ccnn2C)CC1)N1CCCC1=O ZINC000124595494 441938032 /nfs/dbraw/zinc/93/80/32/441938032.db2.gz ZYBOKHGOMZMAGT-QGZVFWFLSA-N 0 0 332.448 1.773 10 0 EDAERN Cc1csc2c1nc(-c1cnc(N)nc1)nc2N1CCOCC1 ZINC000095577589 441952985 /nfs/dbraw/zinc/95/29/85/441952985.db2.gz LCHKOZULFQXJIP-UHFFFAOYSA-N 0 0 328.401 1.876 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2ccc(CNC(N)=O)cc2)CC1 ZINC000124941267 441967989 /nfs/dbraw/zinc/96/79/89/441967989.db2.gz GJSFQJFTPUTPEZ-UHFFFAOYSA-N 0 0 341.415 1.608 10 0 EDAERN Cc1cccc(O[C@H](C)CNC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000175009959 441994369 /nfs/dbraw/zinc/99/43/69/441994369.db2.gz MSPHUJRVATTWJI-HZPDHXFCSA-N 0 0 335.448 1.782 10 0 EDAERN COCC[N@@H+]1CCN(Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000151055150 441997195 /nfs/dbraw/zinc/99/71/95/441997195.db2.gz ALAUCYVIEADGKR-GFCCVEGCSA-N 0 0 326.462 1.996 10 0 EDAERN Cc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cnn1C ZINC000120050715 441998998 /nfs/dbraw/zinc/99/89/98/441998998.db2.gz LKPZEMBPNRJERH-NVXWUHKLSA-N 0 0 344.390 1.703 10 0 EDAERN C[C@@H](CNC(=O)N[C@@H](C)COCc1ccccc1)CN1CCOCC1 ZINC000175180305 442011808 /nfs/dbraw/zinc/01/18/08/442011808.db2.gz ARYZAAGNYKQNRU-IRXDYDNUSA-N 0 0 349.475 1.859 10 0 EDAERN CC(C)COc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000120141129 442014784 /nfs/dbraw/zinc/01/47/84/442014784.db2.gz XSCHYJMYLSLBNM-CYBMUJFWSA-N 0 0 330.392 1.844 10 0 EDAERN O=C(COc1ccccc1)NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151327471 442042872 /nfs/dbraw/zinc/04/28/72/442042872.db2.gz FOJSWUNTIUJWMF-KXBFYZLASA-N 0 0 346.427 1.335 10 0 EDAERN COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)CC2 ZINC000120201051 442028107 /nfs/dbraw/zinc/02/81/07/442028107.db2.gz FZPXXDYMOCPTGV-VXGBXAGGSA-N 0 0 333.392 1.701 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)C[C@H](C)O1 ZINC000125582686 442032181 /nfs/dbraw/zinc/03/21/81/442032181.db2.gz KTFSWBZKHXUOHG-RYUDHWBXSA-N 0 0 346.362 1.586 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1sccc1-n1cnnn1 ZINC000151271034 442035352 /nfs/dbraw/zinc/03/53/52/442035352.db2.gz BGOJDARFRHGYRB-SECBINFHSA-N 0 0 344.404 1.143 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCc3ccccc3C)CCO2)[nH]1 ZINC000175313663 442038713 /nfs/dbraw/zinc/03/87/13/442038713.db2.gz QPPRJNBJLVEUCV-OAHLLOKOSA-N 0 0 329.404 1.747 10 0 EDAERN CC(C)[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1cccnc1 ZINC000175345869 442045987 /nfs/dbraw/zinc/04/59/87/442045987.db2.gz URXRJBNHBXPGGX-DOTOQJQBSA-N 0 0 334.464 1.841 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)o1 ZINC000175341825 442046230 /nfs/dbraw/zinc/04/62/30/442046230.db2.gz VVZGFENEVMOVIH-CHWSQXEVSA-N 0 0 345.403 1.877 10 0 EDAERN Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000120306469 442046642 /nfs/dbraw/zinc/04/66/42/442046642.db2.gz ZDYPDYKTCHOOMQ-IUODEOHRSA-N 0 0 336.436 1.511 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151358241 442048047 /nfs/dbraw/zinc/04/80/47/442048047.db2.gz QKUWCSMOPLRYTR-KSSFIOAISA-N 0 0 337.464 1.772 10 0 EDAERN COc1cc(CN2CCN(Cc3nnc(C)n3C)CC2)cc(OC)c1 ZINC000175440913 442063851 /nfs/dbraw/zinc/06/38/51/442063851.db2.gz FPUKWMJMZZNEAH-UHFFFAOYSA-N 0 0 345.447 1.459 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000151553584 442083351 /nfs/dbraw/zinc/08/33/51/442083351.db2.gz NERPPVALHUFQDX-FZMZJTMJSA-N 0 0 344.458 1.163 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)COc3ccccc3O)CC2)s1 ZINC000151627823 442095969 /nfs/dbraw/zinc/09/59/69/442095969.db2.gz ABQDEIAJMXUMIT-UHFFFAOYSA-N 0 0 347.440 1.880 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(-n2cnnn2)c1 ZINC000175751708 442116440 /nfs/dbraw/zinc/11/64/40/442116440.db2.gz JDKCZNDVPZLSPF-LLVKDONJSA-N 0 0 331.376 1.465 10 0 EDAERN C[N@H+](CCNC(=O)N[C@@H]1CCc2ncnn2C1)Cc1ccc(F)cc1 ZINC000175787331 442122365 /nfs/dbraw/zinc/12/23/65/442122365.db2.gz NSEIDKILICCWBD-OAHLLOKOSA-N 0 0 346.410 1.163 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc2c1oc(=O)n2C ZINC000126587447 442124115 /nfs/dbraw/zinc/12/41/15/442124115.db2.gz KKNNQDZZXLIQTG-JTQLQIEISA-N 0 0 334.372 1.934 10 0 EDAERN CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1ccccc1C)CC2 ZINC000162951065 442133406 /nfs/dbraw/zinc/13/34/06/442133406.db2.gz SWDMNOKFHLQNLN-GUYCJALGSA-N 0 0 328.416 1.968 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1cccc(F)c1 ZINC000175878038 442139533 /nfs/dbraw/zinc/13/95/33/442139533.db2.gz VNXNJESNYQVVGB-KGLIPLIRSA-N 0 0 333.367 1.593 10 0 EDAERN COc1ccc(F)c(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000151913364 442140226 /nfs/dbraw/zinc/14/02/26/442140226.db2.gz LIPHQALLZUTZFB-CYBMUJFWSA-N 0 0 335.339 1.866 10 0 EDAERN C[C@H](NC(=O)NCCCNc1ccccn1)c1nnc2n1CCCC2 ZINC000126818782 442146334 /nfs/dbraw/zinc/14/63/34/442146334.db2.gz GGMFSQFWGDGEMV-ZDUSSCGKSA-N 0 0 343.435 1.872 10 0 EDAERN COc1cccc(OC)c1CC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000127098868 442170310 /nfs/dbraw/zinc/17/03/10/442170310.db2.gz CWKLOKDAQHXQOM-ZDUSSCGKSA-N 0 0 330.388 1.798 10 0 EDAERN CCCn1ccc2cc(NC(=O)C(=O)N3CCC[C@@H]3CO)ccc21 ZINC000121119347 442179463 /nfs/dbraw/zinc/17/94/63/442179463.db2.gz AEMNQDRURLXPCW-OAHLLOKOSA-N 0 0 329.400 1.973 10 0 EDAERN Cc1cnn(CCNC(=O)NCCCNC(=O)c2occc2C)c1 ZINC000127224661 442182951 /nfs/dbraw/zinc/18/29/51/442182951.db2.gz JUDUMMXILUFZDD-UHFFFAOYSA-N 0 0 333.392 1.212 10 0 EDAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000176186274 442186763 /nfs/dbraw/zinc/18/67/63/442186763.db2.gz MFHXTYWWMACCPW-QGZVFWFLSA-N 0 0 340.427 1.921 10 0 EDAERN CCc1c(C(=O)N2CCN(CCOC)[C@H](C)C2)cnn1CC(C)C ZINC000152333210 442198776 /nfs/dbraw/zinc/19/87/76/442198776.db2.gz MLDOHYNYGNKMSK-OAHLLOKOSA-N 0 0 336.480 1.894 10 0 EDAERN O=C(Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CCC[C@H]1CO ZINC000120934046 442153601 /nfs/dbraw/zinc/15/36/01/442153601.db2.gz YSJVAZMLXACYBG-NSHDSACASA-N 0 0 348.790 1.448 10 0 EDAERN CC(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)n1 ZINC000163335314 442159240 /nfs/dbraw/zinc/15/92/40/442159240.db2.gz XTCKDCLVVWWAHQ-UONOGXRCSA-N 0 0 336.436 1.535 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cnn2c1CCCC2 ZINC000128181107 442250615 /nfs/dbraw/zinc/25/06/15/442250615.db2.gz PVSCXIMJTXFFGQ-ZDUSSCGKSA-N 0 0 326.404 1.408 10 0 EDAERN C[C@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)CC1(C)OCCO1 ZINC000152933103 442252294 /nfs/dbraw/zinc/25/22/94/442252294.db2.gz IQJVDDUTKYVWIL-KBPBESRZSA-N 0 0 337.424 1.414 10 0 EDAERN COc1cc(C)c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1OC ZINC000121373772 442209644 /nfs/dbraw/zinc/20/96/44/442209644.db2.gz MKLUDNXJVNMSSF-HOCLYGCPSA-N 0 0 348.443 1.805 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccccc1F ZINC000152459726 442215760 /nfs/dbraw/zinc/21/57/60/442215760.db2.gz CFRNLUYJIOMWFP-ZDUSSCGKSA-N 0 0 333.367 1.898 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCC(=O)OC(C)(C)C ZINC000176461820 442225170 /nfs/dbraw/zinc/22/51/70/442225170.db2.gz QHWXQJNLINRBRU-LLVKDONJSA-N 0 0 337.424 1.706 10 0 EDAERN Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2cccs2)nn1C ZINC000169792742 442227151 /nfs/dbraw/zinc/22/71/51/442227151.db2.gz DMVJZYFMRMIPGY-AVGNSLFASA-N 0 0 344.440 1.823 10 0 EDAERN Cc1cccc(N2CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)c1 ZINC000170241073 442229489 /nfs/dbraw/zinc/22/94/89/442229489.db2.gz RNARINNTJMCPRV-AWEZNQCLSA-N 0 0 325.416 1.567 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(Cc2ccccc2)CC1 ZINC000176590738 442237365 /nfs/dbraw/zinc/23/73/65/442237365.db2.gz JLQNPBZXUUAEIT-MRXNPFEDSA-N 0 0 340.431 1.640 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(Cc2ccncc2)CC1 ZINC000176595548 442237890 /nfs/dbraw/zinc/23/78/90/442237890.db2.gz MPBPZKBIGWYNPJ-OAHLLOKOSA-N 0 0 341.419 1.035 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CCCn1ccnc1)CC2 ZINC000152759924 442242524 /nfs/dbraw/zinc/24/25/24/442242524.db2.gz VAOHAIPCDSPDOV-AWEZNQCLSA-N 0 0 345.451 1.645 10 0 EDAERN O=C(Nc1cccnc1N1CCCC1)N[C@H]1CCCn2ncnc21 ZINC000176834628 442261898 /nfs/dbraw/zinc/26/18/98/442261898.db2.gz AZJMANNJOGRDQJ-ZDUSSCGKSA-N 0 0 327.392 1.930 10 0 EDAERN COCCc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n(C)n1 ZINC000128366483 442262001 /nfs/dbraw/zinc/26/20/01/442262001.db2.gz JYSCOEPWNPXHHP-SUMWQHHRSA-N 0 0 336.436 1.768 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)o1 ZINC000170788247 442264637 /nfs/dbraw/zinc/26/46/37/442264637.db2.gz CNFSGKFZTYJCRJ-YGRLFVJLSA-N 0 0 335.385 1.495 10 0 EDAERN Cc1cc(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3O)CC2)nc(C)n1 ZINC000176894175 442268701 /nfs/dbraw/zinc/26/87/01/442268701.db2.gz UMYOHOHTWDEWSP-JKSUJKDBSA-N 0 0 347.463 1.665 10 0 EDAERN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000153291987 442273942 /nfs/dbraw/zinc/27/39/42/442273942.db2.gz ZRWCIGCVLVJKMS-KSSFIOAISA-N 0 0 332.400 1.209 10 0 EDAERN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000176928238 442275140 /nfs/dbraw/zinc/27/51/40/442275140.db2.gz JPXRSJODCDFSSL-STQMWFEESA-N 0 0 335.429 1.730 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000177004108 442283282 /nfs/dbraw/zinc/28/32/82/442283282.db2.gz FMPIDMFBNNOKGG-SECBINFHSA-N 0 0 346.334 1.817 10 0 EDAERN O=C(CCSc1ccc(F)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000129091253 442300802 /nfs/dbraw/zinc/30/08/02/442300802.db2.gz VUMQGRQFVZAXBH-CQSZACIVSA-N 0 0 342.436 1.117 10 0 EDAERN C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000177256699 442321110 /nfs/dbraw/zinc/32/11/10/442321110.db2.gz QQJPBSUDUCDINI-WBMJQRKESA-N 0 0 339.386 1.556 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000177259799 442321681 /nfs/dbraw/zinc/32/16/81/442321681.db2.gz FLJQZULLKZFHFM-GFCCVEGCSA-N 0 0 326.491 1.853 10 0 EDAERN COc1ccc(OC)c(CCNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177343554 442330182 /nfs/dbraw/zinc/33/01/82/442330182.db2.gz MFDBILASNVBSRU-AWEZNQCLSA-N 0 0 345.403 1.672 10 0 EDAERN COc1ccc(C)cc1CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177356823 442331808 /nfs/dbraw/zinc/33/18/08/442331808.db2.gz KDLATILLTKYESV-AWEZNQCLSA-N 0 0 329.404 1.972 10 0 EDAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)N[C@@H]1CCCn2ncnc21 ZINC000177360737 442332115 /nfs/dbraw/zinc/33/21/15/442332115.db2.gz PJHWQCBEWXLYHZ-ZIAGYGMSSA-N 0 0 340.387 1.218 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000154561404 442345379 /nfs/dbraw/zinc/34/53/79/442345379.db2.gz UFBBOFWLHVVXKK-CQSZACIVSA-N 0 0 344.419 1.600 10 0 EDAERN CCc1nnc(CSc2nncn2-c2ccc(OC)nc2)n1C ZINC000171423171 442346825 /nfs/dbraw/zinc/34/68/25/442346825.db2.gz PXPOXMWHUSOHDC-UHFFFAOYSA-N 0 0 331.405 1.654 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000171434548 442347792 /nfs/dbraw/zinc/34/77/92/442347792.db2.gz MIRGDFPZMJWGBR-UONOGXRCSA-N 0 0 346.431 1.701 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177215203 442314843 /nfs/dbraw/zinc/31/48/43/442314843.db2.gz LUGPXKWDCNYPFD-GUYCJALGSA-N 0 0 336.407 1.765 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCCCCN2C(=O)c3ccccc3C2=O)O1 ZINC000154006544 442315945 /nfs/dbraw/zinc/31/59/45/442315945.db2.gz HRMWTPTWXXLDHQ-SWLSCSKDSA-N 0 0 330.384 1.747 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000129443016 442316709 /nfs/dbraw/zinc/31/67/09/442316709.db2.gz CPOAJAASHFKQKO-IUODEOHRSA-N 0 0 341.367 1.098 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(C)ccc1C)CC2 ZINC000177642969 442366070 /nfs/dbraw/zinc/36/60/70/442366070.db2.gz YJZREJAYOOIXEA-CYBMUJFWSA-N 0 0 341.415 1.527 10 0 EDAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[C@H](CNc2ccccn2)C1 ZINC000171644126 442366252 /nfs/dbraw/zinc/36/62/52/442366252.db2.gz UFONXYPEVLIJRI-QWHCGFSZSA-N 0 0 342.451 1.410 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000177691457 442371555 /nfs/dbraw/zinc/37/15/55/442371555.db2.gz SPMCKHQGQKAWNK-GXTWGEPZSA-N 0 0 331.420 1.329 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000177701633 442372376 /nfs/dbraw/zinc/37/23/76/442372376.db2.gz DBPWLQOUOYOEHW-DOTOQJQBSA-N 0 0 346.475 1.817 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000177713757 442374590 /nfs/dbraw/zinc/37/45/90/442374590.db2.gz YGDDDTKQDDFJOG-HNNXBMFYSA-N 0 0 339.399 1.978 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000177732041 442377150 /nfs/dbraw/zinc/37/71/50/442377150.db2.gz ILQPPESAXIAFIO-CYBMUJFWSA-N 0 0 348.428 1.563 10 0 EDAERN CCOC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171801182 442382645 /nfs/dbraw/zinc/38/26/45/442382645.db2.gz GPDXPJUXUHVXGO-WMLDXEAASA-N 0 0 332.400 1.618 10 0 EDAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177780918 442383489 /nfs/dbraw/zinc/38/34/89/442383489.db2.gz XYIOCKDCFAGDCU-OAHLLOKOSA-N 0 0 337.387 1.228 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)CC2 ZINC000131969072 442384384 /nfs/dbraw/zinc/38/43/84/442384384.db2.gz XVEGBNHYRXANSF-UKRRQHHQSA-N 0 0 344.390 1.975 10 0 EDAERN CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171987131 442396634 /nfs/dbraw/zinc/39/66/34/442396634.db2.gz UWCVBKMOCKKTTQ-CRAIPNDOSA-N 0 0 343.427 1.333 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H]1c1cnn(C)c1)c1nnc2n1CCCC2 ZINC000177936292 442397037 /nfs/dbraw/zinc/39/70/37/442397037.db2.gz SWGWDEHVLAUBRD-JSGCOSHPSA-N 0 0 343.435 1.956 10 0 EDAERN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177567715 442358278 /nfs/dbraw/zinc/35/82/78/442358278.db2.gz NCYLSNFPXSIPDE-DOMZBBRYSA-N 0 0 328.372 1.899 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177598637 442361136 /nfs/dbraw/zinc/36/11/36/442361136.db2.gz VIYHBCGDICWXBT-HIFRSBDPSA-N 0 0 345.447 1.647 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177609505 442362259 /nfs/dbraw/zinc/36/22/59/442362259.db2.gz XEWOKKKZOHDVKN-PXAZEXFGSA-N 0 0 349.435 1.876 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2)c1COC)C(C)C ZINC000186078409 442458227 /nfs/dbraw/zinc/45/82/27/442458227.db2.gz UPGBLOTZKONJKX-MRXNPFEDSA-N 0 0 344.415 1.519 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)C(F)(F)C3(O)CCC3)C2)no1 ZINC000134061831 442448501 /nfs/dbraw/zinc/44/85/01/442448501.db2.gz YOWHHBAPKKOLKD-LLVKDONJSA-N 0 0 329.347 1.709 10 0 EDAERN CCCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000178662392 442453869 /nfs/dbraw/zinc/45/38/69/442453869.db2.gz NLCASPTXSMQCMK-OAGGEKHMSA-N 0 0 341.496 1.942 10 0 EDAERN CCC(CC)N1C[C@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)CC1=O ZINC000172397754 442454393 /nfs/dbraw/zinc/45/43/93/442454393.db2.gz FGYXSLPVFNPWRU-HUUCEWRRSA-N 0 0 347.463 1.554 10 0 EDAERN CCCc1cc(NC(=O)N2CCN(CCOCC)[C@H](C)C2)n(C)n1 ZINC000179658999 442486026 /nfs/dbraw/zinc/48/60/26/442486026.db2.gz DXFKGRHQUSANOC-CQSZACIVSA-N 0 0 337.468 1.947 10 0 EDAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000134525215 442490492 /nfs/dbraw/zinc/49/04/92/442490492.db2.gz WULLDJBSLJGBPP-GFCCVEGCSA-N 0 0 344.375 1.254 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)Nc1cc(-n2cnnn2)ccc1F ZINC000172569973 442493600 /nfs/dbraw/zinc/49/36/00/442493600.db2.gz XQXHHEQSYMVKOL-QMTHXVAHSA-N 0 0 334.355 1.474 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCCNC(=O)C3CC3)CCO2)cn1 ZINC000191716575 442496481 /nfs/dbraw/zinc/49/64/81/442496481.db2.gz KVQWZZMHKALQEM-OAHLLOKOSA-N 0 0 334.420 1.109 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)cn1 ZINC000191739995 442503042 /nfs/dbraw/zinc/50/30/42/442503042.db2.gz HEFJVZSBLRQKIT-HNNXBMFYSA-N 0 0 325.372 1.993 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)cn1 ZINC000191786436 442510722 /nfs/dbraw/zinc/51/07/22/442510722.db2.gz SMBSONYJPXVIEN-MRXNPFEDSA-N 0 0 325.372 1.993 10 0 EDAERN CCc1c(C(=O)N[C@@H](C(=O)NC)C(C)C)cnn1Cc1ccccc1 ZINC000178865948 442508227 /nfs/dbraw/zinc/50/82/27/442508227.db2.gz TXWJWJYZJKEBPS-QGZVFWFLSA-N 0 0 342.443 1.994 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC000191571854 442466943 /nfs/dbraw/zinc/46/69/43/442466943.db2.gz JEDJDPYJNXVFPN-KGLIPLIRSA-N 0 0 344.411 1.994 10 0 EDAERN Cc1nnc(NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)s1 ZINC000172476330 442471105 /nfs/dbraw/zinc/47/11/05/442471105.db2.gz ZVSXTMFSFWTIRM-NSHDSACASA-N 0 0 333.421 1.769 10 0 EDAERN C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000156445384 442481824 /nfs/dbraw/zinc/48/18/24/442481824.db2.gz BQWBYYLYTHBPIN-SNVBAGLBSA-N 0 0 328.438 1.005 10 0 EDAERN Cc1nc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 ZINC000134917832 442536115 /nfs/dbraw/zinc/53/61/15/442536115.db2.gz YDCVFSIBEPNPCQ-DOMZBBRYSA-N 0 0 332.335 1.353 10 0 EDAERN O=C(Nc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1)C1CC1 ZINC000172761714 442536944 /nfs/dbraw/zinc/53/69/44/442536944.db2.gz KYNPBEJPGQCMHN-KRWDZBQOSA-N 0 0 343.427 1.582 10 0 EDAERN CC(C)Oc1cccc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000172764218 442538337 /nfs/dbraw/zinc/53/83/37/442538337.db2.gz MHZXEQDIGKRNNM-QGZVFWFLSA-N 0 0 332.444 1.949 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2cc(Br)cn2C)C1 ZINC000134691484 442512687 /nfs/dbraw/zinc/51/26/87/442512687.db2.gz FAOVBJUPWWVIRC-LLVKDONJSA-N 0 0 330.226 1.238 10 0 EDAERN C[C@H](NC(=O)N1CCO[C@H](C)[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000156716275 442512884 /nfs/dbraw/zinc/51/28/84/442512884.db2.gz PUSJWFLQWPEZQO-RWMBFGLXSA-N 0 0 340.445 1.970 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)CCO2)cn1 ZINC000191802179 442513531 /nfs/dbraw/zinc/51/35/31/442513531.db2.gz ZPLURAJWNOSVDR-YCPHGPKFSA-N 0 0 349.431 1.782 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000134727895 442516642 /nfs/dbraw/zinc/51/66/42/442516642.db2.gz MMSNNFIJNPFZDB-CZUORRHYSA-N 0 0 327.428 1.904 10 0 EDAERN Cc1cccc(N2CCN(C(=O)CN3[C@H](C)COC[C@@H]3C)CC2)c1 ZINC000172667465 442518542 /nfs/dbraw/zinc/51/85/42/442518542.db2.gz MBJLVWFLJZWBOT-CALCHBBNSA-N 0 0 331.460 1.753 10 0 EDAERN O=C(CCCCc1c[nH]nn1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000186378481 442522371 /nfs/dbraw/zinc/52/23/71/442522371.db2.gz UKZPWFJBLMHUKG-CQSZACIVSA-N 0 0 348.428 1.552 10 0 EDAERN COC(=O)CNC(=O)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134833421 442526894 /nfs/dbraw/zinc/52/68/94/442526894.db2.gz XHEAAQZBLQKYAS-CQSZACIVSA-N 0 0 336.363 1.152 10 0 EDAERN O=C(CN1CCC[C@H]1CC(=O)c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000134830012 442527153 /nfs/dbraw/zinc/52/71/53/442527153.db2.gz KIAOELMFAGDYTJ-HNNXBMFYSA-N 0 0 347.390 1.851 10 0 EDAERN CCCNC(=O)c1ccc(NC(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178925015 442527582 /nfs/dbraw/zinc/52/75/82/442527582.db2.gz SQCMSTHKANZSMV-CQSZACIVSA-N 0 0 334.420 1.719 10 0 EDAERN CCNC(=O)NC(=O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134845271 442527672 /nfs/dbraw/zinc/52/76/72/442527672.db2.gz RRXODKRGUDVTHQ-AWEZNQCLSA-N 0 0 335.379 1.709 10 0 EDAERN Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1-n1cncn1 ZINC000172742482 442530413 /nfs/dbraw/zinc/53/04/13/442530413.db2.gz AVIGCGDEVCDGRG-INIZCTEOSA-N 0 0 341.415 1.122 10 0 EDAERN Cc1cccnc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000180481078 442608312 /nfs/dbraw/zinc/60/83/12/442608312.db2.gz HZDQYRMOBOLTRJ-GOSISDBHSA-N 0 0 341.455 1.948 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccccc1OCC(N)=O ZINC000172966615 442574053 /nfs/dbraw/zinc/57/40/53/442574053.db2.gz JVJZKGJOAOJKTD-AWEZNQCLSA-N 0 0 342.395 1.886 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)N1CCc2c1cccc2F ZINC000186625411 442576398 /nfs/dbraw/zinc/57/63/98/442576398.db2.gz WRNSVFNLXPJHGC-CQSZACIVSA-N 0 0 334.347 1.269 10 0 EDAERN COC(=O)c1cccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000135312692 442579329 /nfs/dbraw/zinc/57/93/29/442579329.db2.gz KLWVEVPNMZFNOB-LLVKDONJSA-N 0 0 328.372 1.892 10 0 EDAERN CCN(C[C@@H](O)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157428437 442582779 /nfs/dbraw/zinc/58/27/79/442582779.db2.gz GGSOJQPUHDXLFF-HZPDHXFCSA-N 0 0 327.446 1.073 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000180459095 442605647 /nfs/dbraw/zinc/60/56/47/442605647.db2.gz OGCIELSRVWGVFP-NRXISQOPSA-N 0 0 331.416 1.756 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cccc(Br)c2F)C1 ZINC000191999140 442560456 /nfs/dbraw/zinc/56/04/56/442560456.db2.gz QXIUUAANSFILRL-VIFPVBQESA-N 0 0 331.185 1.649 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000180246274 442565014 /nfs/dbraw/zinc/56/50/14/442565014.db2.gz APYCXEMNBUNWMJ-PBHICJAKSA-N 0 0 345.443 1.367 10 0 EDAERN CC(C)c1nn(C)c2sc(C(=O)NC[C@H]3CN(C)CCO3)cc12 ZINC000172921554 442567937 /nfs/dbraw/zinc/56/79/37/442567937.db2.gz DLGLMDWGJWVXER-NSHDSACASA-N 0 0 336.461 1.819 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NCCCN1CCOCC1 ZINC000173271454 442637458 /nfs/dbraw/zinc/63/74/58/442637458.db2.gz QURRBAIOTWFDBO-INIZCTEOSA-N 0 0 335.448 1.613 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NOCc2ccccc2)C1 ZINC000192377478 442642667 /nfs/dbraw/zinc/64/26/67/442642667.db2.gz DCJYGCOSWJLBIX-UONOGXRCSA-N 0 0 332.360 1.981 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000158070013 442643931 /nfs/dbraw/zinc/64/39/31/442643931.db2.gz KFHBUEWBUAEKTF-DZGCQCFKSA-N 0 0 340.445 1.299 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(O)ccc2OC)C[C@H]1CC ZINC000187068775 442650711 /nfs/dbraw/zinc/65/07/11/442650711.db2.gz KYXRHAQZWVVCRQ-CQSZACIVSA-N 0 0 336.432 1.974 10 0 EDAERN O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000179333552 442623219 /nfs/dbraw/zinc/62/32/19/442623219.db2.gz TZWVWVIBBFOZFI-LBPRGKRZSA-N 0 0 337.330 1.794 10 0 EDAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)CCS(C)(=O)=O)[C@H](C)C2 ZINC000180589091 442628480 /nfs/dbraw/zinc/62/84/80/442628480.db2.gz WKQLYYRXPOXQJM-BXUZGUMPSA-N 0 0 331.459 1.192 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180588623 442628672 /nfs/dbraw/zinc/62/86/72/442628672.db2.gz IVXIGLUNCWLGQD-MLGOLLRUSA-N 0 0 340.445 1.558 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(OC)cc2C)C1 ZINC000187662595 442684402 /nfs/dbraw/zinc/68/44/02/442684402.db2.gz QRFPUFVVVPDFMQ-LBPRGKRZSA-N 0 0 337.395 1.682 10 0 EDAERN Cn1c(CN2CCC(Nc3cccnn3)CC2)nnc1C1CCC1 ZINC000181272032 442687815 /nfs/dbraw/zinc/68/78/15/442687815.db2.gz ITIYJAKZSIZIFH-UHFFFAOYSA-N 0 0 327.436 1.949 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187741095 442689935 /nfs/dbraw/zinc/68/99/35/442689935.db2.gz GKBVMPHILWYTFC-YUTCNCBUSA-N 0 0 348.424 1.694 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)[C@H](O)C3CCCCC3)CC2)nn1 ZINC000187795240 442692457 /nfs/dbraw/zinc/69/24/57/442692457.db2.gz JUJNIQRADUSJQZ-QGZVFWFLSA-N 0 0 332.448 1.765 10 0 EDAERN CCCc1cc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)[nH]n1 ZINC000136370707 442661391 /nfs/dbraw/zinc/66/13/91/442661391.db2.gz XPMVOEOJJHYBGZ-AWEZNQCLSA-N 0 0 328.420 1.893 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000187327522 442670314 /nfs/dbraw/zinc/67/03/14/442670314.db2.gz AYQAQTGMRZIKDR-SSDOTTSWSA-N 0 0 325.843 1.311 10 0 EDAERN CCn1c(C)nnc1CN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180973445 442672624 /nfs/dbraw/zinc/67/26/24/442672624.db2.gz SFZOYZQKOKEMRQ-UHFFFAOYSA-N 0 0 339.447 1.801 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180975629 442672806 /nfs/dbraw/zinc/67/28/06/442672806.db2.gz HPZJUWITQORRAX-NSHDSACASA-N 0 0 341.824 1.427 10 0 EDAERN COc1ccc(C(=O)NC[C@H](C)N2CCOCC2)c(OCC2CC2)c1 ZINC000188137104 442715304 /nfs/dbraw/zinc/71/53/04/442715304.db2.gz MSELIYPFYBWPMA-AWEZNQCLSA-N 0 0 348.443 1.935 10 0 EDAERN CCC[C@H](NC(=O)c1ccn(CCOC)n1)C(=O)OC(C)(C)C ZINC000188214635 442725190 /nfs/dbraw/zinc/72/51/90/442725190.db2.gz PQMZYAPNCWAROJ-ZDUSSCGKSA-N 0 0 325.409 1.770 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccnc(N)c2)CC1 ZINC000193337906 442734284 /nfs/dbraw/zinc/73/42/84/442734284.db2.gz KEWZLNYRGYGPEB-UHFFFAOYSA-N 0 0 348.882 1.931 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000193389062 442738354 /nfs/dbraw/zinc/73/83/54/442738354.db2.gz LYUAIABYKYMBNF-OAHLLOKOSA-N 0 0 343.387 1.227 10 0 EDAERN C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1C(=O)OC(C)(C)C ZINC000188318050 442738502 /nfs/dbraw/zinc/73/85/02/442738502.db2.gz DZBBYBDSNBTAFA-YPMHNXCESA-N 0 0 335.404 1.893 10 0 EDAERN C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1C(=O)OC(C)(C)C ZINC000188318068 442738539 /nfs/dbraw/zinc/73/85/39/442738539.db2.gz DZBBYBDSNBTAFA-AAEUAGOBSA-N 0 0 335.404 1.893 10 0 EDAERN COCCN1C[C@H](C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CC1=O ZINC000182218718 442746965 /nfs/dbraw/zinc/74/69/65/442746965.db2.gz PRBXCFJYSGLITM-SIIHOXLZSA-N 0 0 330.428 1.839 10 0 EDAERN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](C)c1ccc(C)o1 ZINC000182570111 442787743 /nfs/dbraw/zinc/78/77/43/442787743.db2.gz RIGREQDKHHQIRV-LLVKDONJSA-N 0 0 334.376 1.788 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C ZINC000246533546 442790372 /nfs/dbraw/zinc/79/03/72/442790372.db2.gz SHTJJDGYBXJKMY-LRDDRELGSA-N 0 0 347.459 1.669 10 0 EDAERN C[C@@H](O)[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C1 ZINC000188753364 442805075 /nfs/dbraw/zinc/80/50/75/442805075.db2.gz BMEDYARFNILQAD-FVCCEPFGSA-N 0 0 330.400 1.563 10 0 EDAERN O=C(CCc1cccc2c1OCO2)N1CC(NC(=O)C2CCC2)C1 ZINC000188526563 442760260 /nfs/dbraw/zinc/76/02/60/442760260.db2.gz LJPSKSFTOVQGOO-UHFFFAOYSA-N 0 0 330.384 1.475 10 0 EDAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000193751825 442779923 /nfs/dbraw/zinc/77/99/23/442779923.db2.gz RQFZINOOGPHWFU-ICCXJUOJSA-N 0 0 325.796 1.197 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)c1 ZINC000246840069 442817354 /nfs/dbraw/zinc/81/73/54/442817354.db2.gz BQKIKWPYILWHAB-YOEHRIQHSA-N 0 0 347.459 1.491 10 0 EDAERN COc1ccc(COC[C@H](O)CN2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182748235 442818712 /nfs/dbraw/zinc/81/87/12/442818712.db2.gz BFTUKJUXVMDOFX-NVXWUHKLSA-N 0 0 346.431 1.918 10 0 EDAERN Cc1csc([C@H]2CN(C(=O)NCCCn3cccn3)CCO2)n1 ZINC000194063606 442839087 /nfs/dbraw/zinc/83/90/87/442839087.db2.gz IJOPKAOZWDFJDW-CYBMUJFWSA-N 0 0 335.433 1.821 10 0 EDAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCCNC(=O)[C@@H]1C ZINC000188914360 442841153 /nfs/dbraw/zinc/84/11/53/442841153.db2.gz GQKKSSRYCYTZTQ-NSHDSACASA-N 0 0 346.353 1.342 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000188904733 442839777 /nfs/dbraw/zinc/83/97/77/442839777.db2.gz ZTDSNBJNDRNPIM-ZSYWTGECSA-N 0 0 344.455 1.886 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC(c2nncn2C)CC1)C(C)C ZINC000194147808 442852404 /nfs/dbraw/zinc/85/24/04/442852404.db2.gz RKVHRIIBWHUFLP-MRXNPFEDSA-N 0 0 349.479 1.708 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000189027176 442863534 /nfs/dbraw/zinc/86/35/34/442863534.db2.gz BBFITQUNJBELID-BFHYXJOUSA-N 0 0 332.466 1.122 10 0 EDAERN Cc1cnn(CCNC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)c1 ZINC000189047201 442866673 /nfs/dbraw/zinc/86/66/73/442866673.db2.gz CHYPTOZPRSMNCJ-HUUCEWRRSA-N 0 0 343.431 1.630 10 0 EDAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000194259580 442868043 /nfs/dbraw/zinc/86/80/43/442868043.db2.gz SUTMVNQCHZOOBE-ODVANORSSA-N 0 0 343.427 1.237 10 0 EDAERN O[C@@H](COc1ccccc1)CN1CCN(CCOCC(F)F)CC1 ZINC000189213053 442898561 /nfs/dbraw/zinc/89/85/61/442898561.db2.gz OJWKXNGVXBWNSF-OAHLLOKOSA-N 0 0 344.402 1.326 10 0 EDAERN CC1(C)CCN(S(=O)(=O)/C=C/c2ccccc2)CCS1(=O)=O ZINC000194160831 442854606 /nfs/dbraw/zinc/85/46/06/442854606.db2.gz OMNXABPQOJJPRM-XYOKQWHBSA-N 0 0 343.470 1.886 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(F)cc(Br)c2)C1 ZINC000194612181 442923806 /nfs/dbraw/zinc/92/38/06/442923806.db2.gz OOXPHURSJMBPFL-LBPRGKRZSA-N 0 0 331.185 1.649 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccnc(F)c3F)CC2)n1 ZINC000189346713 442926545 /nfs/dbraw/zinc/92/65/45/442926545.db2.gz AONKREMEAFNNGZ-UHFFFAOYSA-N 0 0 349.341 1.511 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(OCC(F)(F)F)n2)C1)C1CC1 ZINC000189425232 442949728 /nfs/dbraw/zinc/94/97/28/442949728.db2.gz IYUOSLSSUSKHIZ-UHFFFAOYSA-N 0 0 343.305 1.373 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000194750513 442949849 /nfs/dbraw/zinc/94/98/49/442949849.db2.gz UKURHYWRIHHOIU-ZDUSSCGKSA-N 0 0 332.429 1.595 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)n1C ZINC000194694386 442938700 /nfs/dbraw/zinc/93/87/00/442938700.db2.gz GWMJUPRTHKUHAE-INIZCTEOSA-N 0 0 347.806 1.998 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000194723595 442942816 /nfs/dbraw/zinc/94/28/16/442942816.db2.gz XUKROTYNEFCZHO-MRXNPFEDSA-N 0 0 345.468 1.723 10 0 EDAERN CCCn1c(C(=O)NC[C@H](O)CN2CCOCC2)cc2ccccc21 ZINC000189404966 442943098 /nfs/dbraw/zinc/94/30/98/442943098.db2.gz PBBQTBDZSPIBHF-INIZCTEOSA-N 0 0 345.443 1.474 10 0 EDAERN CC(C)(C)n1nc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1C1CC1 ZINC000189414172 442945873 /nfs/dbraw/zinc/94/58/73/442945873.db2.gz RWIXIRQYHIGRIQ-UHFFFAOYSA-N 0 0 330.432 1.866 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000188946299 318563024 /nfs/dbraw/zinc/56/30/24/318563024.db2.gz KGSATPULMATWNT-LLVKDONJSA-N 0 0 341.367 1.627 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000189452304 442957208 /nfs/dbraw/zinc/95/72/08/442957208.db2.gz YGTOHUNWPIVDMC-INIZCTEOSA-N 0 0 347.459 1.465 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H](C)c1cccs1 ZINC000195101418 442982597 /nfs/dbraw/zinc/98/25/97/442982597.db2.gz VWAMBTXBXAUZGD-JTQLQIEISA-N 0 0 331.397 1.971 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCCOC(C)C)CC2)cn1 ZINC000184117095 442993488 /nfs/dbraw/zinc/99/34/88/442993488.db2.gz FEKJSABWBUPLOV-UHFFFAOYSA-N 0 0 337.468 1.545 10 0 EDAERN CCCCN(CCCO)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000183693498 442953290 /nfs/dbraw/zinc/95/32/90/442953290.db2.gz JLGHDPJBGMDPLW-AWEZNQCLSA-N 0 0 337.468 1.910 10 0 EDAERN CCc1cnccc1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000184329478 443011647 /nfs/dbraw/zinc/01/16/47/443011647.db2.gz UOFASZOOSYXYPY-HNNXBMFYSA-N 0 0 341.415 1.611 10 0 EDAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000184455622 443022802 /nfs/dbraw/zinc/02/28/02/443022802.db2.gz DEKGNWJREPQFME-GZMMTYOYSA-N 0 0 328.365 1.082 10 0 EDAERN CC(C)c1cc(C(=O)N2CCC(N3CCN(C)CC3=O)CC2)no1 ZINC000252532880 443042165 /nfs/dbraw/zinc/04/21/65/443042165.db2.gz FKGKTGLEGVVAHN-UHFFFAOYSA-N 0 0 334.420 1.177 10 0 EDAERN CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000249710045 443001292 /nfs/dbraw/zinc/00/12/92/443001292.db2.gz UIYMEIROLCJSQD-ZFWWWQNUSA-N 0 0 333.363 1.058 10 0 EDAERN Cc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1 ZINC000224219031 443096662 /nfs/dbraw/zinc/09/66/62/443096662.db2.gz IZUCVSXTTQSUFL-UHFFFAOYSA-N 0 0 327.388 1.943 10 0 EDAERN COc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000224224875 443097409 /nfs/dbraw/zinc/09/74/09/443097409.db2.gz ONFUPIKXZVTETK-UHFFFAOYSA-N 0 0 342.399 1.560 10 0 EDAERN Cc1noc(C)c1CCC(=O)N1C[C@@H](c2ccncc2)[C@H](CO)C1 ZINC000253396142 443054187 /nfs/dbraw/zinc/05/41/87/443054187.db2.gz AUZNAVRXCLNLSS-RDJZCZTQSA-N 0 0 329.400 1.854 10 0 EDAERN COC(=O)c1cc(-n2ccc(I)n2)ccn1 ZINC000217751028 443057339 /nfs/dbraw/zinc/05/73/39/443057339.db2.gz MVQOLNOZBCSSCN-UHFFFAOYSA-N 0 0 329.097 1.659 10 0 EDAERN CCN(C(=O)CN1CCOC[C@H]1c1nc(C)no1)c1ccccc1 ZINC000185080423 443131926 /nfs/dbraw/zinc/13/19/26/443131926.db2.gz PTKOFOSNWXBRKN-HNNXBMFYSA-N 0 0 330.388 1.804 10 0 EDAERN COCC(=O)NC1CN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000185089327 443133458 /nfs/dbraw/zinc/13/34/58/443133458.db2.gz DJIGJVKTNKXSEC-ZDUSSCGKSA-N 0 0 332.322 1.186 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)CC2 ZINC000190554556 443136280 /nfs/dbraw/zinc/13/62/80/443136280.db2.gz XTFOKIRVZFSNBR-LBPRGKRZSA-N 0 0 335.452 1.754 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3cc(-c4cnn(C)c4)no3)CCO2)[nH]1 ZINC000185012875 443117535 /nfs/dbraw/zinc/11/75/35/443117535.db2.gz OOKFAMCFMKZSOZ-AWEZNQCLSA-N 0 0 329.364 1.075 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000185216548 443163358 /nfs/dbraw/zinc/16/33/58/443163358.db2.gz QPXKEYXSSDCVGX-UHFFFAOYSA-N 0 0 336.775 1.982 10 0 EDAERN CC[C@H](COC)NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190716438 443169133 /nfs/dbraw/zinc/16/91/33/443169133.db2.gz ZUEOIZJBQFOIPE-IAGOWNOFSA-N 0 0 334.464 1.970 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000185248379 443169234 /nfs/dbraw/zinc/16/92/34/443169234.db2.gz RRZUSPGADSJTMG-UHFFFAOYSA-N 0 0 345.226 1.899 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1C ZINC000185252306 443170247 /nfs/dbraw/zinc/17/02/47/443170247.db2.gz FTTVCAGMPWODAD-CYBMUJFWSA-N 0 0 331.420 1.151 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2sc3ccc(F)cc3c2C)C1 ZINC000185291546 443178061 /nfs/dbraw/zinc/17/80/61/443178061.db2.gz LMGBEVVGULMZRX-UHFFFAOYSA-N 0 0 336.388 1.936 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)N(C)c3nccs3)CCO2)cn1 ZINC000190827134 443190113 /nfs/dbraw/zinc/19/01/13/443190113.db2.gz STEDRSFJKAMGLB-ZDUSSCGKSA-N 0 0 335.433 1.396 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C[C@H](O)COCc1ccccc1F ZINC000185369114 443190187 /nfs/dbraw/zinc/19/01/87/443190187.db2.gz NKQCHEOVNAVSEI-HOCLYGCPSA-N 0 0 325.380 1.731 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2ccccc2C(C)(C)C)C1 ZINC000185215612 443162924 /nfs/dbraw/zinc/16/29/24/443162924.db2.gz OXPMTJUSOUGVDV-UHFFFAOYSA-N 0 0 334.416 1.336 10 0 EDAERN CNC(=O)CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000185567660 443220646 /nfs/dbraw/zinc/22/06/46/443220646.db2.gz WOCAKZYWGLVVPN-RYUDHWBXSA-N 0 0 330.306 1.476 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CCN1CCOC ZINC000185601588 443225875 /nfs/dbraw/zinc/22/58/75/443225875.db2.gz FJTNSDRVNYLXRN-LLVKDONJSA-N 0 0 346.378 1.204 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000245514883 443233885 /nfs/dbraw/zinc/23/38/85/443233885.db2.gz GRMRDEJNFQNMTG-OLZOCXBDSA-N 0 0 348.472 1.676 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC2CCC(C(C)C)CC2)C1 ZINC000185689810 443239187 /nfs/dbraw/zinc/23/91/87/443239187.db2.gz LGQNOCUQNOYFFL-UHFFFAOYSA-N 0 0 325.453 1.605 10 0 EDAERN O=C(C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCc2c1cccc2F ZINC000185710072 443242376 /nfs/dbraw/zinc/24/23/76/443242376.db2.gz ANLKSKHOKZHIMP-GFCCVEGCSA-N 0 0 343.362 1.170 10 0 EDAERN Cc1cnn([C@@H]2CCCN(Cc3nnnn3CC(F)(F)F)C2)c1 ZINC000190869065 443200278 /nfs/dbraw/zinc/20/02/78/443200278.db2.gz YOWNLTQQQNXOFO-LLVKDONJSA-N 0 0 329.330 1.577 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000191205603 443258635 /nfs/dbraw/zinc/25/86/35/443258635.db2.gz AMPUINQJEZKVTI-LLVKDONJSA-N 0 0 325.796 1.639 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(C(N)=O)cn1C ZINC000246167101 443274512 /nfs/dbraw/zinc/27/45/12/443274512.db2.gz KHESSTMNSUBAOK-SUHUHFCYSA-N 0 0 333.388 1.070 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CC1CCC2(CC1)OCCO2 ZINC000191302990 443275028 /nfs/dbraw/zinc/27/50/28/443275028.db2.gz ZBHPCRQTWCHSPK-AWEZNQCLSA-N 0 0 334.420 1.861 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2cnn(C)c2C)C12CCOCC2 ZINC000185905545 443280717 /nfs/dbraw/zinc/28/07/17/443280717.db2.gz FVAOAYQDEWZTAX-HUUCEWRRSA-N 0 0 336.436 1.502 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000185913686 443282392 /nfs/dbraw/zinc/28/23/92/443282392.db2.gz AMFJDZGVJRCCPE-CYBMUJFWSA-N 0 0 349.387 1.204 10 0 EDAERN CCOC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000186050814 443303149 /nfs/dbraw/zinc/30/31/49/443303149.db2.gz JIEOSBRDODWKGA-ZIAGYGMSSA-N 0 0 335.408 1.497 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2ccc(OC)nn2)cn1 ZINC000275337591 443625706 /nfs/dbraw/zinc/62/57/06/443625706.db2.gz GJGIDMXFXNUOSZ-XHDPSFHLSA-N 0 0 330.344 1.149 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@H]2C)c(C)n1-c1cnccn1 ZINC000529266830 320570893 /nfs/dbraw/zinc/57/08/93/320570893.db2.gz CWPLTUAWDKCGAJ-FZMZJTMJSA-N 0 0 327.388 1.281 10 0 EDAERN NC(=O)c1noc([C@@H]2CCCN2Cc2nc3cc(F)ccc3o2)n1 ZINC000328622347 444397556 /nfs/dbraw/zinc/39/75/56/444397556.db2.gz BEBKYDSQPLKVDJ-JTQLQIEISA-N 0 0 331.307 1.786 10 0 EDAERN CCc1ccc(C(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)o1 ZINC000328624482 444399082 /nfs/dbraw/zinc/39/90/82/444399082.db2.gz JZACZBYSPYWAAV-OAHLLOKOSA-N 0 0 330.388 1.912 10 0 EDAERN CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N2CCn3cnnc3C2)n1 ZINC000328625374 444399509 /nfs/dbraw/zinc/39/95/09/444399509.db2.gz DBWXDNVCXDZRAA-CZUORRHYSA-N 0 0 343.435 1.704 10 0 EDAERN COC(=O)[C@@H](NCc1nnnn1Cc1ccccc1)c1ccccc1 ZINC000380111524 325719627 /nfs/dbraw/zinc/71/96/27/325719627.db2.gz HPSNGDVSJLTDKE-KRWDZBQOSA-N 0 0 337.383 1.725 10 0 EDAERN COc1ccc(Br)c(OC(F)F)c1S(N)(=O)=O ZINC000575686116 447880298 /nfs/dbraw/zinc/88/02/98/447880298.db2.gz ZIEJMXWYNPTXFG-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000583616332 448442603 /nfs/dbraw/zinc/44/26/03/448442603.db2.gz GUFJZOAFIAMIGU-CFVMTHIKSA-N 0 0 343.420 1.685 10 0 EDAERN O=S(=O)(c1cncc(Cl)c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583616417 448443325 /nfs/dbraw/zinc/44/33/25/448443325.db2.gz OREHPRFEZBHLTD-MGPQQGTHSA-N 0 0 346.836 1.286 10 0 EDAERN Cc1ccc(OCCC(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)cc1C ZINC000583617748 448444841 /nfs/dbraw/zinc/44/48/41/448444841.db2.gz MKIVTEUWYWNZQT-SFHVURJKSA-N 0 0 344.415 1.701 10 0 EDAERN O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617767 448444903 /nfs/dbraw/zinc/44/49/03/448444903.db2.gz QCAJRDLUPWUNFG-IBGZPJMESA-N 0 0 340.427 1.736 10 0 EDAERN CC(=O)N1C[C@H](NC(=O)c2cc(C)nc(C)n2)CC[C@H]1C(F)(F)F ZINC000583620031 448450141 /nfs/dbraw/zinc/45/01/41/448450141.db2.gz LACQFPRVGBPQHW-YPMHNXCESA-N 0 0 344.337 1.765 10 0 EDAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)NCCC[S@](C)=O)CCO2 ZINC000583619916 448450539 /nfs/dbraw/zinc/45/05/39/448450539.db2.gz XOBODBLLPJLMGN-HBAYXTBCSA-N 0 0 337.441 1.620 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1=O ZINC000583621347 448451965 /nfs/dbraw/zinc/45/19/65/448451965.db2.gz UASFATIIIXKISK-JKSUJKDBSA-N 0 0 330.359 1.630 10 0 EDAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1ncccn1)Nc1ccccn1 ZINC000583623186 448453468 /nfs/dbraw/zinc/45/34/68/448453468.db2.gz RJLONZORGHMXPF-STQMWFEESA-N 0 0 330.367 1.606 10 0 EDAERN COc1cc2c(C(N)=O)nn(-c3cccc(Br)c3)c2nn1 ZINC000584619518 448586604 /nfs/dbraw/zinc/58/66/04/448586604.db2.gz BYHHINVLZUKFPD-UHFFFAOYSA-N 0 0 348.160 1.686 10 0 EDAERN CCn1cc(Br)cc1C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000619008122 450375814 /nfs/dbraw/zinc/37/58/14/450375814.db2.gz PNDGIFMOPAPBFS-VIFPVBQESA-N 0 0 328.210 1.479 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H](C)O2)o1 ZINC000619287187 450446406 /nfs/dbraw/zinc/44/64/06/450446406.db2.gz DZWFZRZXAKTUHZ-MEBBXXQBSA-N 0 0 345.355 1.638 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@H]1c1ccc2ccnnc2c1 ZINC000616585548 450453559 /nfs/dbraw/zinc/45/35/59/450453559.db2.gz RUJYOPNBIWWDAP-INIZCTEOSA-N 0 0 341.396 1.807 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H]1c1cccc(CO)c1 ZINC000616600733 450454660 /nfs/dbraw/zinc/45/46/60/450454660.db2.gz IQBWBKIHFUYUJN-QGZVFWFLSA-N 0 0 333.409 1.941 10 0 EDAERN NC(=O)c1ccccc1[C@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000616639937 450457123 /nfs/dbraw/zinc/45/71/23/450457123.db2.gz SLQZIQZONWAMEX-MRXNPFEDSA-N 0 0 345.424 1.121 10 0 EDAERN CC(=O)Nc1ccccc1[C@@H]1Cc2ccccc2N(S(N)(=O)=O)C1 ZINC000616670042 450458566 /nfs/dbraw/zinc/45/85/66/450458566.db2.gz RHQJHYGPGNRIEJ-CQSZACIVSA-N 0 0 345.424 1.995 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2c[nH]nc2N)C1 ZINC000616681729 450460197 /nfs/dbraw/zinc/46/01/97/450460197.db2.gz UYGJRCXXWSKDTG-LBPRGKRZSA-N 0 0 325.413 1.280 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1cccc(F)c1Br ZINC000633919101 451095170 /nfs/dbraw/zinc/09/51/70/451095170.db2.gz YZIBGTZDUYBXHJ-SNVBAGLBSA-N 0 0 345.212 1.991 10 0 EDAERN Cc1nnc(COC2CN(C(=O)[C@H]3CCCN3CC(F)(F)F)C2)o1 ZINC000644214945 453148442 /nfs/dbraw/zinc/14/84/42/453148442.db2.gz HXBKFLFJTAQJLJ-LLVKDONJSA-N 0 0 348.325 1.132 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)NCCc1cccc2cccnc21 ZINC000644294584 453256660 /nfs/dbraw/zinc/25/66/60/453256660.db2.gz LVFDCRAASVAJMR-MRXNPFEDSA-N 0 0 341.411 1.267 10 0 EDAERN Cn1cc(C(=O)N[C@H](CO)c2ccccc2)c(C2CCOCC2)n1 ZINC000644419126 453434386 /nfs/dbraw/zinc/43/43/86/453434386.db2.gz UHSOZFGXITVHJQ-MRXNPFEDSA-N 0 0 329.400 1.778 10 0 EDAERN CCCn1ncc(NC(=O)[C@H]2Cn3c(C)nnc3CN2C)c1C1CC1 ZINC000644478109 453503919 /nfs/dbraw/zinc/50/39/19/453503919.db2.gz GFWPKSYNUZIBKE-CQSZACIVSA-N 0 0 343.435 1.523 10 0 EDAERN Cn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cn1 ZINC000671612368 486671453 /nfs/dbraw/zinc/67/14/53/486671453.db2.gz KXJKDSYYDKHLQA-KSZLIROESA-N 0 0 343.427 1.608 10 0 EDAERN Cc1noc2ncnc(N3CCN(Cc4c(C)nn(C)c4C)CC3)c12 ZINC000192451413 486858002 /nfs/dbraw/zinc/85/80/02/486858002.db2.gz FSYGNGSWFPYQRQ-UHFFFAOYSA-N 0 0 341.419 1.599 10 0 EDAERN CCOC(=O)CN1C(=O)C(C)(C)NC[C@H]1c1cc(F)cc(F)c1 ZINC000215993357 485487200 /nfs/dbraw/zinc/48/72/00/485487200.db2.gz HJTYIQLLUWBZPO-ZDUSSCGKSA-N 0 0 326.343 1.779 10 0 EDAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000583619638 486278578 /nfs/dbraw/zinc/27/85/78/486278578.db2.gz RINSCZOSGUZCJG-GJZGRUSLSA-N 0 0 333.363 1.542 10 0 EDAERN Cc1cccc(NC(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)c1 ZINC000065311266 490997358 /nfs/dbraw/zinc/99/73/58/490997358.db2.gz KYNSEYAFHVMDSU-UHFFFAOYSA-N 0 0 326.400 1.944 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000074863437 491015364 /nfs/dbraw/zinc/01/53/64/491015364.db2.gz ZZWLWRAFMGYYPW-LBPRGKRZSA-N 0 0 326.418 1.230 10 0 EDAERN CC(C)(C)Oc1cccc(CCC(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000189460068 500599196 /nfs/dbraw/zinc/59/91/96/500599196.db2.gz XTLLWPPJVKGXFH-UHFFFAOYSA-N 0 0 345.443 1.929 10 0 EDAERN CN(C(=O)C(=O)Nc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136361208 500762079 /nfs/dbraw/zinc/76/20/79/500762079.db2.gz VGJVIKGYPNWIJY-OAHLLOKOSA-N 0 0 339.399 1.543 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(F)cn3)C2=O)n(C)n1 ZINC000187894745 533896599 /nfs/dbraw/zinc/89/65/99/533896599.db2.gz SWMKFTZPKNOHJM-LBPRGKRZSA-N 0 0 346.366 1.580 10 0 EDAERN Cc1cc(NC(=O)CSC[C@H](O)CO)n(-c2ccc(C)cc2)n1 ZINC000177409172 533950160 /nfs/dbraw/zinc/95/01/60/533950160.db2.gz ZSOHMYGKAMWAFU-CQSZACIVSA-N 0 0 335.429 1.514 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000183962955 533963427 /nfs/dbraw/zinc/96/34/27/533963427.db2.gz JFOSQVVNKKKRMC-DZGCQCFKSA-N 0 0 332.400 1.057 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(N)c(Br)c1)[C@H]1CCOC1 ZINC000165937437 533967437 /nfs/dbraw/zinc/96/74/37/533967437.db2.gz UEFQRVPEQXEVPM-IUCAKERBSA-N 0 0 349.250 1.735 10 0 EDAERN C[C@H](C(=O)Nc1c(Br)cccc1C(=O)[O-])C1C[NH2+]C1 ZINC000164526471 534296018 /nfs/dbraw/zinc/29/60/18/534296018.db2.gz AZKNFLXUSZUHRP-ZETCQYMHSA-N 0 0 327.178 1.941 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)C[C@@H](C)O1 ZINC000187102011 534298144 /nfs/dbraw/zinc/29/81/44/534298144.db2.gz NGTMUIWCGWPYBB-VXGBXAGGSA-N 0 0 346.362 1.586 10 0 EDAERN NC(=O)CN1CCC(Nc2ncc(Cl)cc2Br)CC1 ZINC000159555222 534324054 /nfs/dbraw/zinc/32/40/54/534324054.db2.gz GWYJFKCGPNMGRX-UHFFFAOYSA-N 0 0 347.644 1.859 10 0 EDAERN C[C@H](CNC(=O)c1cn(C)nc1-c1ccccc1)N1CCOCC1 ZINC000091091729 518182263 /nfs/dbraw/zinc/18/22/63/518182263.db2.gz BOORTNBTOZDIGO-CQSZACIVSA-N 0 0 328.416 1.538 10 0 EDAERN Cn1nnc2ccc(C(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)cc21 ZINC000187658065 534352908 /nfs/dbraw/zinc/35/29/08/534352908.db2.gz ULXVWVDUPYJHAF-KBPBESRZSA-N 0 0 342.424 1.878 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)CCC(=O)N1CCOCC1)[C@@H](C)C2 ZINC000181249072 534440528 /nfs/dbraw/zinc/44/05/28/534440528.db2.gz LOIGINNLMLQQLN-IFXJQAMLSA-N 0 0 330.428 1.984 10 0 EDAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCCCF ZINC000153992171 534550452 /nfs/dbraw/zinc/55/04/52/534550452.db2.gz CRRBOLMHRYTBKQ-UHFFFAOYSA-N 0 0 345.330 1.670 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(-n2cccc2)c1 ZINC000179834406 534624781 /nfs/dbraw/zinc/62/47/81/534624781.db2.gz NFPCAMWEQSIEHI-KRWDZBQOSA-N 0 0 344.415 1.292 10 0 EDAERN Nc1cnccc1Sc1nc[nH]c(=O)c1I ZINC000166398513 534744638 /nfs/dbraw/zinc/74/46/38/534744638.db2.gz MJXSGBNAOXQFKR-UHFFFAOYSA-N 0 0 346.153 1.503 10 0 EDAERN Cc1[nH]nc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)c1CO ZINC000167371650 534849235 /nfs/dbraw/zinc/84/92/35/534849235.db2.gz OWGXGVJSAMXKKI-UHFFFAOYSA-N 0 0 325.312 1.094 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171396989 527292423 /nfs/dbraw/zinc/29/24/23/527292423.db2.gz RRXBUKLTIZXSDT-INIZCTEOSA-N 0 0 340.383 1.925 10 0 EDAERN CC(C)CCCCNS(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000147759164 527703239 /nfs/dbraw/zinc/70/32/39/527703239.db2.gz LUHYSEKUTTXSBK-UHFFFAOYSA-N 0 0 334.463 1.439 10 0 EDAERN CC(C)CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000183365621 527867544 /nfs/dbraw/zinc/86/75/44/527867544.db2.gz JJIUJVYFSXGUBD-OAHLLOKOSA-N 0 0 340.445 1.150 10 0 EDAERN CCN(CC(=O)N(C)C)c1cccc(Br)c1C(N)=S ZINC000168691427 527892860 /nfs/dbraw/zinc/89/28/60/527892860.db2.gz ICPSCZJDFMLYBG-UHFFFAOYSA-N 0 0 344.278 1.998 10 0 EDAERN CC(C)[C@H]1NC(=O)[C@@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168873576 527899201 /nfs/dbraw/zinc/89/92/01/527899201.db2.gz XHCLUVIXSGPDKW-BXKDBHETSA-N 0 0 340.221 1.716 10 0 EDAERN CCCNC(=O)CN(C)C(=O)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000153077986 528378250 /nfs/dbraw/zinc/37/82/50/528378250.db2.gz PTAXYBKXQHCBTR-LLVKDONJSA-N 0 0 327.375 1.600 10 0 EDAERN CCC(C)(C)NC(=O)Cn1cc(N)c(C)c(Br)c1=O ZINC000165372635 528550252 /nfs/dbraw/zinc/55/02/52/528550252.db2.gz SIIZCZLSQUCBGR-UHFFFAOYSA-N 0 0 330.226 1.806 10 0 EDAERN CC(C)n1ncc(NCC(F)(F)CN)c(Br)c1=O ZINC000160060765 528653056 /nfs/dbraw/zinc/65/30/56/528653056.db2.gz BSRJAAKTJCWYAK-UHFFFAOYSA-N 0 0 325.157 1.593 10 0 EDAERN CC(C)Cn1c(Cc2cccc(Cl)c2)nnc1S(N)(=O)=O ZINC000158462369 528693245 /nfs/dbraw/zinc/69/32/45/528693245.db2.gz SZCFAZROTWFHBM-UHFFFAOYSA-N 0 0 328.825 1.826 10 0 EDAERN CCOCCN(CC)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000171680102 528719012 /nfs/dbraw/zinc/71/90/12/528719012.db2.gz GFOBNAXIROWZPB-CQSZACIVSA-N 0 0 340.445 1.973 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)CCOC(C)C)C[C@@H]1CC ZINC000175118452 528752456 /nfs/dbraw/zinc/75/24/56/528752456.db2.gz CRIOZFLLQWTUMQ-HNNXBMFYSA-N 0 0 336.498 1.174 10 0 EDAERN CCOCCn1cnc(Cl)c(I)c1=O ZINC000164927222 528872143 /nfs/dbraw/zinc/87/21/43/528872143.db2.gz WZMHHXPPZTXXKH-UHFFFAOYSA-N 0 0 328.537 1.538 10 0 EDAERN CCC1(CC)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C[C@@H]1OC ZINC000151996656 529103251 /nfs/dbraw/zinc/10/32/51/529103251.db2.gz HMDZUZDXSIWOPO-OAGGEKHMSA-N 0 0 347.459 1.976 10 0 EDAERN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000175005611 529305063 /nfs/dbraw/zinc/30/50/63/529305063.db2.gz WGAZVICENZHJAN-QWHCGFSZSA-N 0 0 340.445 1.523 10 0 EDAERN CCCCc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000041600784 535088517 /nfs/dbraw/zinc/08/85/17/535088517.db2.gz QZXJTXYGVZRWPZ-HNNXBMFYSA-N 0 0 347.459 1.805 10 0 EDAERN CC1(C)CN(CCNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CCO1 ZINC000248178731 535355780 /nfs/dbraw/zinc/35/57/80/535355780.db2.gz WBHVVLCWCYAQNA-MAUKXSAKSA-N 0 0 339.480 1.434 10 0 EDAERN COCCCNC(=O)CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246941719 536569675 /nfs/dbraw/zinc/56/96/75/536569675.db2.gz ZGXKCCUCEZGLDD-WFASDCNBSA-N 0 0 328.359 1.225 10 0 EDAERN COCCOc1cccc(CC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188537648 536695665 /nfs/dbraw/zinc/69/56/65/536695665.db2.gz IJPOIYQKHOCZKG-UHFFFAOYSA-N 0 0 346.427 1.381 10 0 EDAERN COCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2C)CC1 ZINC000041337636 536751099 /nfs/dbraw/zinc/75/10/99/536751099.db2.gz MTSPLEKOAXMBAZ-UHFFFAOYSA-N 0 0 332.853 1.747 10 0 EDAERN COc1ncccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000247912296 537155407 /nfs/dbraw/zinc/15/54/07/537155407.db2.gz YRKGJVWIBAFCMN-LLVKDONJSA-N 0 0 334.397 1.985 10 0 EDAERN O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccc([C@H]2CCC[NH2+]2)nn1 ZINC000888076045 590929535 /nfs/dbraw/zinc/92/95/35/590929535.db2.gz RTNXVDDCZOYRFO-CYBMUJFWSA-N 0 0 336.392 1.982 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)NCc2ccccc2C)C1 ZINC000888077495 590933174 /nfs/dbraw/zinc/93/31/74/590933174.db2.gz DYDFGSJEAHLYEC-HZPDHXFCSA-N 0 0 328.416 1.796 10 0 EDAERN Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888094745 591024499 /nfs/dbraw/zinc/02/44/99/591024499.db2.gz JFZCIJZJQFHJCG-TZMCWYRMSA-N 0 0 331.420 1.287 10 0 EDAERN CCc1cnccc1C(=O)N1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000888095314 591025952 /nfs/dbraw/zinc/02/59/52/591025952.db2.gz XWQBGURCJQOVIX-ZDUSSCGKSA-N 0 0 341.415 1.835 10 0 EDAERN COc1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cc1Cl ZINC000888095395 591026155 /nfs/dbraw/zinc/02/61/55/591026155.db2.gz ZLUKKKIQDVHPOE-GXTWGEPZSA-N 0 0 337.763 1.648 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)COc2cccnc2)C1 ZINC000888103278 591031090 /nfs/dbraw/zinc/03/10/90/591031090.db2.gz UCOGXBGLQNBIGB-CABCVRRESA-N 0 0 330.388 1.789 10 0 EDAERN Cc1cnc(C)c(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)n1 ZINC000818146611 593674660 /nfs/dbraw/zinc/67/46/60/593674660.db2.gz QXCMNRFWSGCHQV-QGZVFWFLSA-N 0 0 329.404 1.928 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000102305640 594916663 /nfs/dbraw/zinc/91/66/63/594916663.db2.gz NTGSOQWSERCFOC-SRVKXCTJSA-N 0 0 330.450 1.980 10 0 EDAERN CCCS(=O)(=O)CCN1CCN(Cc2cnc(C)s2)CC1 ZINC000105814809 595466522 /nfs/dbraw/zinc/46/65/22/595466522.db2.gz KTWSSAJXGRBSAI-UHFFFAOYSA-N 0 0 331.507 1.394 10 0 EDAERN COCC(=O)N[C@H](C(=O)O[C@@H](C)c1nc2ccccc2[nH]1)C(C)C ZINC000122430400 596412108 /nfs/dbraw/zinc/41/21/08/596412108.db2.gz QSDDCKQUSDEXGR-NHYWBVRUSA-N 0 0 333.388 1.954 10 0 EDAERN COC(=O)c1cc(CN(C)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)oc1C ZINC000120829188 596733757 /nfs/dbraw/zinc/73/37/57/596733757.db2.gz LQLBEROZCBQBAF-KBPBESRZSA-N 0 0 346.383 1.715 10 0 EDAERN C[C@H](CNC(=O)c1ccnc(Br)c1)N1CCOCC1 ZINC000126364397 597446117 /nfs/dbraw/zinc/44/61/17/597446117.db2.gz GZJWWZNHDWGUJV-SNVBAGLBSA-N 0 0 328.210 1.295 10 0 EDAERN C[C@@H](NC(=O)CSC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000193074014 695580294 /nfs/dbraw/zinc/58/02/94/695580294.db2.gz WDZMUBGDLXXJQM-SSDOTTSWSA-N 0 0 342.364 1.764 10 0 EDAERN Cc1ccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c(C)c1N ZINC000050351638 214053434 /nfs/dbraw/zinc/05/34/34/214053434.db2.gz ZNNKYCOVMMOLGH-UHFFFAOYSA-N 0 0 332.447 1.205 10 0 EDAERN CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050671254 214066092 /nfs/dbraw/zinc/06/60/92/214066092.db2.gz WDGQYUIGMLSHTI-VHSXEESVSA-N 0 0 334.463 1.385 10 0 EDAERN CCNc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc(Cl)n1 ZINC000050769634 214069405 /nfs/dbraw/zinc/06/94/05/214069405.db2.gz MHSJGNZNLZDFSP-SNVBAGLBSA-N 0 0 331.825 1.426 10 0 EDAERN CCNC(=O)CCN1C(=O)C(=O)c2cc(F)cc(Br)c21 ZINC000051760389 214104264 /nfs/dbraw/zinc/10/42/64/214104264.db2.gz CEZTVRVHTZSXEM-UHFFFAOYSA-N 0 0 343.152 1.644 10 0 EDAERN O=C(CCN1C(=O)C(=O)c2c1cccc2Br)NC1CC1 ZINC000054050102 214212992 /nfs/dbraw/zinc/21/29/92/214212992.db2.gz TXFUVMLCOCDLGN-UHFFFAOYSA-N 0 0 337.173 1.647 10 0 EDAERN NC(=O)c1nccnc1Oc1ccc(I)cc1 ZINC000054398999 214236933 /nfs/dbraw/zinc/23/69/33/214236933.db2.gz LJNGZJYFJLGRKI-UHFFFAOYSA-N 0 0 341.108 1.972 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)Cc2c(C)nc3nc(N)nn3c2C)o1 ZINC000055227002 214293035 /nfs/dbraw/zinc/29/30/35/214293035.db2.gz DPVIQUKTVHDQGV-JTQLQIEISA-N 0 0 328.376 1.645 10 0 EDAERN CS(=O)(=O)Nc1cccc(NC(=O)Cc2csc(N)n2)c1 ZINC000055273004 214299716 /nfs/dbraw/zinc/29/97/16/214299716.db2.gz FPCOXAUOFBOONL-UHFFFAOYSA-N 0 0 326.403 1.278 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3F)CCO2)[nH]1 ZINC000173733714 231017859 /nfs/dbraw/zinc/01/78/59/231017859.db2.gz DFEARQJCPKXMDO-GFCCVEGCSA-N 0 0 340.380 1.323 10 0 EDAERN O=C(Nc1ccc(-n2cccn2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173792765 231035094 /nfs/dbraw/zinc/03/50/94/231035094.db2.gz PSGWFJNRIVFVCM-QGZVFWFLSA-N 0 0 341.415 1.811 10 0 EDAERN O=C(NCc1cccc2cccnc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173796403 231036980 /nfs/dbraw/zinc/03/69/80/231036980.db2.gz YZUKJAXBNDAXGH-KRWDZBQOSA-N 0 0 340.427 1.851 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173936552 231074898 /nfs/dbraw/zinc/07/48/98/231074898.db2.gz VMIIWOXFBWRXFH-JZXOWHBKSA-N 0 0 331.460 1.659 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174008647 231098500 /nfs/dbraw/zinc/09/85/00/231098500.db2.gz YBDONPYZVOWRDV-CYBMUJFWSA-N 0 0 335.379 1.006 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)NCCC(F)(F)F)ccc1O ZINC000063101609 214744183 /nfs/dbraw/zinc/74/41/83/214744183.db2.gz CWRVLWRZQBXOMW-UHFFFAOYSA-N 0 0 327.280 1.410 10 0 EDAERN Cc1csc(NC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)n1 ZINC000174352457 231186794 /nfs/dbraw/zinc/18/67/94/231186794.db2.gz QXUSECZRVJSYBW-NSHDSACASA-N 0 0 348.432 1.811 10 0 EDAERN CC[C@@H](COC)NC(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1 ZINC000138541630 529519209 /nfs/dbraw/zinc/51/92/09/529519209.db2.gz OPBADIBJAHEZFK-JTQLQIEISA-N 0 0 334.825 1.451 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000165564999 529534698 /nfs/dbraw/zinc/53/46/98/529534698.db2.gz UHAMHLMFYVYTRR-GFCCVEGCSA-N 0 0 341.415 1.993 10 0 EDAERN Cc1cc(C(=O)NC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)no1 ZINC000097957568 219064881 /nfs/dbraw/zinc/06/48/81/219064881.db2.gz ZZPDSHCTWJQPEE-LLVKDONJSA-N 0 0 345.384 1.632 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccccc3F)C2=O)n(C)n1 ZINC000175020262 231368265 /nfs/dbraw/zinc/36/82/65/231368265.db2.gz AFEYDBJKRKEWIH-OAHLLOKOSA-N 0 0 344.390 1.722 10 0 EDAERN CC[C@H](NC[C@@H](c1ccc(C)s1)N1CCOCC1)C(=O)OC ZINC000171632726 529612123 /nfs/dbraw/zinc/61/21/23/529612123.db2.gz MMGQRSNWOIDXDL-KBPBESRZSA-N 0 0 326.462 1.971 10 0 EDAERN Cc1nnc2sc(CNS(=O)(=O)c3cccc(Cl)c3)nn12 ZINC000049721914 214028856 /nfs/dbraw/zinc/02/88/56/214028856.db2.gz LSHNITFPQIFSHL-UHFFFAOYSA-N 0 0 343.821 1.626 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1F ZINC000164454424 529668149 /nfs/dbraw/zinc/66/81/49/529668149.db2.gz NPVGMFDYFOTPMM-HNNXBMFYSA-N 0 0 349.406 1.260 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)n1 ZINC000193491871 282215445 /nfs/dbraw/zinc/21/54/45/282215445.db2.gz XVSUNFPZGVUQKE-CQSZACIVSA-N 0 0 327.388 1.525 10 0 EDAERN CCCCN(C)C(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 ZINC000049676353 214026046 /nfs/dbraw/zinc/02/60/46/214026046.db2.gz PEZKONHIYQCVQP-CQSZACIVSA-N 0 0 338.429 1.625 10 0 EDAERN Cc1nc(-c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cs1 ZINC000049658673 214025727 /nfs/dbraw/zinc/02/57/27/214025727.db2.gz WOLJNPQLBUQBDI-SECBINFHSA-N 0 0 326.399 1.628 10 0 EDAERN O=C(NCc1ccc2c(c1)OCO2)c1cc2c3c(c1)CC(=O)N3CC2 ZINC000049659507 214025337 /nfs/dbraw/zinc/02/53/37/214025337.db2.gz SKKQYWFKFIQAEI-UHFFFAOYSA-N 0 0 336.347 1.791 10 0 EDAERN CC[C@H](O)CCNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177837613 529692179 /nfs/dbraw/zinc/69/21/79/529692179.db2.gz HNDLFICMGQRIDN-AAEUAGOBSA-N 0 0 328.434 1.611 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000173105428 529699277 /nfs/dbraw/zinc/69/92/77/529699277.db2.gz QGNATLMNSNDCPD-LBPRGKRZSA-N 0 0 344.253 1.316 10 0 EDAERN CC[C@H](O)CN1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187686906 529702152 /nfs/dbraw/zinc/70/21/52/529702152.db2.gz ZBRDABVZIAUHPB-ZBFHGGJFSA-N 0 0 340.489 1.540 10 0 EDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)[nH]1 ZINC000173737271 529700742 /nfs/dbraw/zinc/70/07/42/529700742.db2.gz SNAJVBLRECNYAZ-ZDUSSCGKSA-N 0 0 336.417 1.438 10 0 EDAERN Cc1nnc(N2CCN(C(=O)c3c(C)onc3C(C)(C)C)CC2)o1 ZINC000062122879 214700184 /nfs/dbraw/zinc/70/01/84/214700184.db2.gz DBHUTZJMCMHCSQ-UHFFFAOYSA-N 0 0 333.392 1.934 10 0 EDAERN Cc1ccc([C@H]2C(=O)NCCN2S(=O)(=O)c2cccs2)cc1 ZINC000062123689 214701021 /nfs/dbraw/zinc/70/10/21/214701021.db2.gz DTSWQTVYPGACDJ-AWEZNQCLSA-N 0 0 336.438 1.918 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)[C@@H](C)CCSC)CC2 ZINC000153216133 529750965 /nfs/dbraw/zinc/75/09/65/529750965.db2.gz NGKLAWYWOXVRIL-RYUDHWBXSA-N 0 0 325.482 1.938 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)CSc2n[nH]c(C)n2)C1 ZINC000174659290 529760391 /nfs/dbraw/zinc/76/03/91/529760391.db2.gz LKRXVWVZUVMPKT-GFCCVEGCSA-N 0 0 334.449 1.828 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)c2c(OC)ncnc2OC)C1 ZINC000171810372 529761123 /nfs/dbraw/zinc/76/11/23/529761123.db2.gz ODRIGCYRQYBJOC-LBPRGKRZSA-N 0 0 345.403 1.730 10 0 EDAERN CCc1nn(C)cc1-c1ncc(I)c(N)n1 ZINC000167934887 529768393 /nfs/dbraw/zinc/76/83/93/529768393.db2.gz RBBSRCGFMOQDEP-UHFFFAOYSA-N 0 0 329.145 1.626 10 0 EDAERN CC(C)(C)OC(=O)[C@H]1CCN([C@@H](C(=O)[O-])c2cccs2)[C@H]1[NH3+] ZINC000100339199 219096589 /nfs/dbraw/zinc/09/65/89/219096589.db2.gz UQYYJSCJKCMPTO-MVWJERBFSA-N 0 0 326.418 1.822 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2csc(Cc3cccc(F)c3)n2)C1 ZINC000183521430 529784044 /nfs/dbraw/zinc/78/40/44/529784044.db2.gz ZZSRBBIZPACNGR-AWEZNQCLSA-N 0 0 349.431 1.933 10 0 EDAERN CN1CCO[C@H](Cn2nc(Br)cc2Br)C1 ZINC000169198538 529790098 /nfs/dbraw/zinc/79/00/98/529790098.db2.gz NQLKHSCEVAQWMP-ZETCQYMHSA-N 0 0 339.031 1.739 10 0 EDAERN O=C(Nc1ccc2c(c1)[nH]c(=O)c1c2CCCC1)[C@H]1CCC(=O)N1 ZINC000049473801 214010068 /nfs/dbraw/zinc/01/00/68/214010068.db2.gz ALGVCEMSMDWMBS-CQSZACIVSA-N 0 0 325.368 1.624 10 0 EDAERN Cc1c(C)c(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc12 ZINC000049472420 214010192 /nfs/dbraw/zinc/01/01/92/214010192.db2.gz XIZAGVQGCUEJML-UHFFFAOYSA-N 0 0 327.340 1.232 10 0 EDAERN CN(CCOc1ccc(F)cc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177327696 529925606 /nfs/dbraw/zinc/92/56/06/529925606.db2.gz MASKAFHXRSHDAQ-AWEZNQCLSA-N 0 0 333.367 1.973 10 0 EDAERN CNC(=O)[C@H]1COCCN1c1ncc(Cl)cc1Br ZINC000159857486 529929164 /nfs/dbraw/zinc/92/91/64/529929164.db2.gz TWZPNEJSJKYWHO-SECBINFHSA-N 0 0 334.601 1.449 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc2ccccc21 ZINC000166719288 529923063 /nfs/dbraw/zinc/92/30/63/529923063.db2.gz SEXORJNPLFFHQD-OAHLLOKOSA-N 0 0 325.368 1.515 10 0 EDAERN Cc1sc(=O)n(CC(=O)N2CCC(Cn3cccn3)CC2)c1C ZINC000126343029 222687302 /nfs/dbraw/zinc/68/73/02/222687302.db2.gz LXWYNTYAOMQARP-UHFFFAOYSA-N 0 0 334.445 1.662 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)c3cnc(Cl)cn3)CC2)cn1 ZINC000178236506 232115551 /nfs/dbraw/zinc/11/55/51/232115551.db2.gz XIKKODLMJGHBER-UHFFFAOYSA-N 0 0 334.811 1.212 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCc2c[nH]nc2C)C1 ZINC000101763521 219162606 /nfs/dbraw/zinc/16/26/06/219162606.db2.gz QOMFRRKRPARJQP-HNNXBMFYSA-N 0 0 335.452 1.741 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)ccc2F)C1 ZINC000102102299 219186395 /nfs/dbraw/zinc/18/63/95/219186395.db2.gz YJKXYZOZJDTSNJ-CYBMUJFWSA-N 0 0 349.406 1.980 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3n[nH]cc3c2)cn1 ZINC000685940133 539577289 /nfs/dbraw/zinc/57/72/89/539577289.db2.gz VNMGIYQVUOVMMC-JKSUJKDBSA-N 0 0 341.371 1.356 10 0 EDAERN COc1ccccc1-n1c(=O)nc2nc(NC3CC3)[nH]cc-2c1=O ZINC000067263795 215129319 /nfs/dbraw/zinc/12/93/19/215129319.db2.gz OYOZISQMUKGWKV-UHFFFAOYSA-N 0 0 325.328 1.464 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccccc1 ZINC000171798440 282608447 /nfs/dbraw/zinc/60/84/47/282608447.db2.gz DRZPQMAUYACHLE-UKRRQHHQSA-N 0 0 331.416 1.224 10 0 EDAERN CCCN(CC(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1N ZINC000042694023 213525642 /nfs/dbraw/zinc/52/56/42/213525642.db2.gz ULAYIEFDKOOWCM-UHFFFAOYSA-N 0 0 334.825 1.886 10 0 EDAERN CC(C)N(CCCO)S(=O)(=O)Cc1ccccc1C(N)=S ZINC000042526274 213510942 /nfs/dbraw/zinc/51/09/42/213510942.db2.gz LMLFXOLAGJLKPL-UHFFFAOYSA-N 0 0 330.475 1.243 10 0 EDAERN C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000104205176 219360650 /nfs/dbraw/zinc/36/06/50/219360650.db2.gz WZAUVUYBMAXENY-APPZFPTMSA-N 0 0 327.178 1.941 10 0 EDAERN Cn1nccc1CCC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000127070814 222788462 /nfs/dbraw/zinc/78/84/62/222788462.db2.gz BZRQIRLFISXPGA-AWEZNQCLSA-N 0 0 336.436 1.868 10 0 EDAERN CNC(=O)CCCN1c2cccc(Br)c2C(=O)C1=O ZINC000068819067 215337719 /nfs/dbraw/zinc/33/77/19/215337719.db2.gz VAOVQVWKXUUOGH-UHFFFAOYSA-N 0 0 325.162 1.505 10 0 EDAERN CCCCN(C)S(=O)(=O)N1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000248786081 282758810 /nfs/dbraw/zinc/75/88/10/282758810.db2.gz YLAPJUPQQQVKDI-IHRRRGAJSA-N 0 0 332.466 1.769 10 0 EDAERN CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000040691141 213369623 /nfs/dbraw/zinc/36/96/23/213369623.db2.gz BOQYYTZQIAHBGH-UHFFFAOYSA-N 0 0 333.841 1.660 10 0 EDAERN C/C(=C\c1ccccc1F)C(=O)N1CCO[C@H]2CS(=O)(=O)C[C@H]21 ZINC000040666329 213366845 /nfs/dbraw/zinc/36/68/45/213366845.db2.gz PFRSGEPXLXJXGF-LMSYVIICSA-N 0 0 339.388 1.253 10 0 EDAERN CNC(SCc1ccc(C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000040570303 213352633 /nfs/dbraw/zinc/35/26/33/213352633.db2.gz WYRVCLKTYCPNSU-UHFFFAOYSA-N 0 0 333.413 1.710 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181282758 234140438 /nfs/dbraw/zinc/14/04/38/234140438.db2.gz LIIKNWKDENZMRF-AWEZNQCLSA-N 0 0 341.477 1.241 10 0 EDAERN CC1(C)O[C@@H]2[C@H](CO)O[C@H](n3ccc4c3ncnc4Cl)[C@H]2O1 ZINC000584907237 539953183 /nfs/dbraw/zinc/95/31/83/539953183.db2.gz POIWYPNJASWVSL-WJZNIJOASA-N 0 0 325.752 1.495 10 0 EDAERN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[NH2+]CC1 ZINC000040481221 213315108 /nfs/dbraw/zinc/31/51/08/213315108.db2.gz RZNODIJEUZZZNV-UHFFFAOYSA-N 0 0 332.187 1.535 10 0 EDAERN [NH3+][C@H](CCS(=O)(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000001571297 209761003 /nfs/dbraw/zinc/76/10/03/209761003.db2.gz GPGAAUSADRXAQI-SECBINFHSA-N 0 0 326.296 1.249 10 0 EDAERN COc1ccc2nc(N3CCN(CCNC(C)=O)CC3)sc2c1 ZINC000038772750 213225960 /nfs/dbraw/zinc/22/59/60/213225960.db2.gz UCMOGFHKUBGPOI-UHFFFAOYSA-N 0 0 334.445 1.563 10 0 EDAERN C[C@@H](C(=O)N(C)CC1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000162708439 540049176 /nfs/dbraw/zinc/04/91/76/540049176.db2.gz QDFWWWOXDGWKIE-LBPRGKRZSA-N 0 0 330.384 1.556 10 0 EDAERN Cc1ncc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1 ZINC000183456647 235088400 /nfs/dbraw/zinc/08/84/00/235088400.db2.gz OSANKGJVOAVNEY-VIFPVBQESA-N 0 0 334.401 1.232 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CCCOC3)CC2)n1 ZINC000105820336 219541077 /nfs/dbraw/zinc/54/10/77/219541077.db2.gz VMSMCECILNHGEH-AWEZNQCLSA-N 0 0 334.420 1.259 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)COCc2ccccc2)CC1 ZINC000181863789 540128273 /nfs/dbraw/zinc/12/82/73/540128273.db2.gz WZCCXCAJVKYMKL-AEFFLSMTSA-N 0 0 349.475 1.690 10 0 EDAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CC(NC(=O)C3CCC3)C1)C2 ZINC000188553681 540159187 /nfs/dbraw/zinc/15/91/87/540159187.db2.gz SMUIMNQIJHHVQP-AWEZNQCLSA-N 0 0 344.411 1.373 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(F)c(F)c1 ZINC000190314031 540170281 /nfs/dbraw/zinc/17/02/81/540170281.db2.gz GEEUHBWLGZEFDZ-INIZCTEOSA-N 0 0 347.365 1.903 10 0 EDAERN O=C(c1ncc(Br)s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000189443385 540165370 /nfs/dbraw/zinc/16/53/70/540165370.db2.gz CXFKWSALELJWQY-SECBINFHSA-N 0 0 346.250 1.452 10 0 EDAERN COc1ccc(-c2nnc(CNC(=O)[C@@H]3CCCO[C@H]3C)[nH]2)cc1 ZINC000191260316 540173749 /nfs/dbraw/zinc/17/37/49/540173749.db2.gz KEHXQYSSDDPYKV-SMDDNHRTSA-N 0 0 330.388 1.912 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccn(C)c3C)C2=O)n(C)n1 ZINC000195289251 540187373 /nfs/dbraw/zinc/18/73/73/540187373.db2.gz HUUAJLYTJKPGMY-CQSZACIVSA-N 0 0 329.404 1.301 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CS(=O)(=O)CC(C)C)C2)c1 ZINC000105859598 219563231 /nfs/dbraw/zinc/56/32/31/219563231.db2.gz HQLVVCOQWDSKMA-AWEZNQCLSA-N 0 0 327.450 1.426 10 0 EDAERN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1nnnn1-c1ccccc1)CC2 ZINC000105873459 219573137 /nfs/dbraw/zinc/57/31/37/219573137.db2.gz DUKAOCLHVLQOFX-QWHCGFSZSA-N 0 0 338.419 1.482 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)NCC2CCC2)o1 ZINC000069072011 138197824 /nfs/dbraw/zinc/19/78/24/138197824.db2.gz TUPCTGVSLHFSBJ-LBPRGKRZSA-N 0 0 343.449 1.668 10 0 EDAERN C[C@H]1C[C@H](C(=O)Nc2cnn(CC(=O)NCCO)c2)CC(C)(C)C1 ZINC000182989893 291108986 /nfs/dbraw/zinc/10/89/86/291108986.db2.gz ZJTDKBWERVGVDJ-STQMWFEESA-N 0 0 336.436 1.393 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(-c3ccc(C)cc3)no2)C1 ZINC000185263422 235627980 /nfs/dbraw/zinc/62/79/80/235627980.db2.gz HNHBCOHULBNZAZ-UHFFFAOYSA-N 0 0 329.356 1.237 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)[C@@H]1CCCO1 ZINC000077707781 138253914 /nfs/dbraw/zinc/25/39/14/138253914.db2.gz ISKIXDMFRNQZOU-YPMHNXCESA-N 0 0 336.436 1.631 10 0 EDAERN O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856515 138269502 /nfs/dbraw/zinc/26/95/02/138269502.db2.gz SYIPYKDGKRFTOJ-ZDUSSCGKSA-N 0 0 328.155 1.418 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCCOCCc2ccccc2)C1 ZINC000079466305 138261526 /nfs/dbraw/zinc/26/15/26/138261526.db2.gz WWMVMSQSHDVGIV-GOSISDBHSA-N 0 0 347.459 1.946 10 0 EDAERN O=S(=O)(/C=C/c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000080826466 138265099 /nfs/dbraw/zinc/26/50/99/138265099.db2.gz IEPFIBRXDKJYRO-OVCLIPMQSA-N 0 0 336.457 1.784 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccccc1C ZINC000081813447 138267541 /nfs/dbraw/zinc/26/75/41/138267541.db2.gz OWGWNHGBTCFGLY-CQSZACIVSA-N 0 0 327.388 1.276 10 0 EDAERN COc1ccc([N-]S(=O)(=O)c2cc[nH+]c(NN)c2)cc1Cl ZINC000038008811 213189404 /nfs/dbraw/zinc/18/94/04/213189404.db2.gz OLMUTTSTEIYPDO-UHFFFAOYSA-N 0 0 328.781 1.830 10 0 EDAERN CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000091049016 138281410 /nfs/dbraw/zinc/28/14/10/138281410.db2.gz VVJLLMWTHVYDMF-LLVKDONJSA-N 0 0 342.465 1.158 10 0 EDAERN C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816572 138302014 /nfs/dbraw/zinc/30/20/14/138302014.db2.gz UYICHLJWILKBRX-ZBFHGGJFSA-N 0 0 348.447 1.488 10 0 EDAERN COc1c(C)cc(CN(C)C(=O)NC[C@H]2CN(C)CCO2)cc1C ZINC000104798079 138300553 /nfs/dbraw/zinc/30/05/53/138300553.db2.gz MTSBEOBNZKXXLI-INIZCTEOSA-N 0 0 335.448 1.784 10 0 EDAERN COc1cc(F)cc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 ZINC000094099642 138295795 /nfs/dbraw/zinc/29/57/95/138295795.db2.gz VKJMUNGFPYSDKT-MRXNPFEDSA-N 0 0 345.374 1.730 10 0 EDAERN CCc1noc(CC)c1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000119778723 138314775 /nfs/dbraw/zinc/31/47/75/138314775.db2.gz ZULOBHOXWOOGQE-ZDUSSCGKSA-N 0 0 331.420 1.872 10 0 EDAERN Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1S(C)(=O)=O ZINC000120320100 138315513 /nfs/dbraw/zinc/31/55/13/138315513.db2.gz JPUSWKQYCASCES-LBPRGKRZSA-N 0 0 349.416 1.127 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(=O)N(C(CC)CC)C1)CC2 ZINC000114865679 138310631 /nfs/dbraw/zinc/31/06/31/138310631.db2.gz LKVFDYMGSSHQCG-QWHCGFSZSA-N 0 0 347.463 1.309 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)CC1CCCCC1)CC2 ZINC000114865398 138310738 /nfs/dbraw/zinc/31/07/38/138310738.db2.gz NKKNJJUWBLUPFN-AWEZNQCLSA-N 0 0 347.463 1.358 10 0 EDAERN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000125569784 138334972 /nfs/dbraw/zinc/33/49/72/138334972.db2.gz PUBKRAZVFQDNAL-OAHLLOKOSA-N 0 0 330.432 1.764 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NCC(F)(F)F ZINC000037929180 213173726 /nfs/dbraw/zinc/17/37/26/213173726.db2.gz RDUXVERQKPPDMB-UHFFFAOYSA-N 0 0 333.129 1.872 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000127758118 138338730 /nfs/dbraw/zinc/33/87/30/138338730.db2.gz WTTLCHSWYUHWCU-GFCCVEGCSA-N 0 0 338.371 1.342 10 0 EDAERN CCCn1nc(C)c(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)c1C ZINC000130631164 138343420 /nfs/dbraw/zinc/34/34/20/138343420.db2.gz CHWVVNZRXMRYEN-CYBMUJFWSA-N 0 0 330.436 1.809 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000131077405 138352189 /nfs/dbraw/zinc/35/21/89/138352189.db2.gz QDHOQKRLRHOFGC-MRXNPFEDSA-N 0 0 338.423 1.646 10 0 EDAERN O=C(CSCc1cscn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000131197222 138353855 /nfs/dbraw/zinc/35/38/55/138353855.db2.gz YBAHGSBMKHNDAD-CYBMUJFWSA-N 0 0 327.475 1.309 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cs1 ZINC000131829231 138366681 /nfs/dbraw/zinc/36/66/81/138366681.db2.gz WJISFKMIGQJWME-WDEREUQCSA-N 0 0 330.431 1.179 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cncc(-c3ccccc3)c2)C1 ZINC000186313676 235874357 /nfs/dbraw/zinc/87/43/57/235874357.db2.gz ARQWPACQZYHOJF-UHFFFAOYSA-N 0 0 325.368 1.336 10 0 EDAERN C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1nnc2n1CCCC2 ZINC000135256043 138421391 /nfs/dbraw/zinc/42/13/91/138421391.db2.gz FWIHYPFJLMMZQR-NSHDSACASA-N 0 0 349.435 1.849 10 0 EDAERN O=C(c1cc(Br)cn1C1CC1)N1CCS(=O)(=O)CC1 ZINC000036860675 213124700 /nfs/dbraw/zinc/12/47/00/213124700.db2.gz LXMMSXZYQCHJCF-UHFFFAOYSA-N 0 0 347.234 1.456 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)O1 ZINC000150867224 138444465 /nfs/dbraw/zinc/44/44/65/138444465.db2.gz UUEPDSCYGFMAAP-COXVUDFISA-N 0 0 346.427 1.779 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)c1cccc(C)c1)CC2 ZINC000152444101 138474186 /nfs/dbraw/zinc/47/41/86/138474186.db2.gz JYBDWFGTGRLSIP-LSDHHAIUSA-N 0 0 343.431 1.497 10 0 EDAERN Cn1ccc(=O)n(CC(=O)c2ccc(Br)s2)c1=O ZINC000070163398 215679637 /nfs/dbraw/zinc/67/96/37/215679637.db2.gz XVQFRDZSRLZCBQ-UHFFFAOYSA-N 0 0 329.175 1.254 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](C)c2nccs2)C[C@H]1C ZINC000187038789 236101843 /nfs/dbraw/zinc/10/18/43/236101843.db2.gz KELAYDIABBUSMR-CHWSQXEVSA-N 0 0 326.466 1.609 10 0 EDAERN NC(=O)Cn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@H]21 ZINC000096318888 283296382 /nfs/dbraw/zinc/29/63/82/283296382.db2.gz STRNLMJEBGKXKY-PRHODGIISA-N 0 0 334.422 1.641 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccccc2OCC2CC2)C1)C1CC1 ZINC000187223648 236150876 /nfs/dbraw/zinc/15/08/76/236150876.db2.gz ZRAOKOHNSBHJJO-UHFFFAOYSA-N 0 0 343.427 1.895 10 0 EDAERN NS(=O)(=O)c1ccc2c(c1)CN(C(=O)CCc1ccccc1)CC2 ZINC000036135619 213073043 /nfs/dbraw/zinc/07/30/43/213073043.db2.gz WSBZVFWAVDZIJU-UHFFFAOYSA-N 0 0 344.436 1.852 10 0 EDAERN O=C(CCS(=O)(=O)c1ccccc1)N1CCC2(CC1)OCCO2 ZINC000036138700 213072587 /nfs/dbraw/zinc/07/25/87/213072587.db2.gz LYXAEACOADEKBM-UHFFFAOYSA-N 0 0 339.413 1.216 10 0 EDAERN COc1ccc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000155748640 138545290 /nfs/dbraw/zinc/54/52/90/138545290.db2.gz OVTWWMRTEOWBMQ-CYBMUJFWSA-N 0 0 344.419 1.619 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C1)C1CC1 ZINC000187644634 236268116 /nfs/dbraw/zinc/26/81/16/236268116.db2.gz IVVVWANLAQHJQK-IXDOHACOSA-N 0 0 325.412 1.635 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000091778893 283327983 /nfs/dbraw/zinc/32/79/83/283327983.db2.gz HDTVMXWBLMZANR-LBPRGKRZSA-N 0 0 335.747 1.321 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cc(F)c(F)cc2F)C1)C1CC1 ZINC000187920531 236342637 /nfs/dbraw/zinc/34/26/37/236342637.db2.gz GWMUQQHLUCDYLW-UHFFFAOYSA-N 0 0 334.319 1.003 10 0 EDAERN COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H](NC(C)=O)C1)CO2 ZINC000127533287 138616550 /nfs/dbraw/zinc/61/65/50/138616550.db2.gz WWVOGPBFUOYGEE-LSDHHAIUSA-N 0 0 332.400 1.373 10 0 EDAERN O=S(=O)(c1ccccc1N[C@H]1CCS(=O)(=O)C1)C(F)F ZINC000035355408 213022562 /nfs/dbraw/zinc/02/25/62/213022562.db2.gz LSLGPXMNTBYLHE-QMMMGPOBSA-N 0 0 325.358 1.282 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](O)C1CC1 ZINC000071299121 215756341 /nfs/dbraw/zinc/75/63/41/215756341.db2.gz UAOFLCBNEYVLHA-SNVBAGLBSA-N 0 0 325.217 1.625 10 0 EDAERN O=C(NCCCN1C(=O)CCC1=O)NC1C2CC3CC(C2)CC1C3 ZINC000171591939 138658214 /nfs/dbraw/zinc/65/82/14/138658214.db2.gz HEVONEANKKZQOK-UHFFFAOYSA-N 0 0 333.432 1.649 10 0 EDAERN CCOC(=O)c1sc2ncn(Cc3cnn(C)c3)c(=O)c2c1C ZINC000071434501 215774693 /nfs/dbraw/zinc/77/46/93/215774693.db2.gz VSYLAXNMWXPBLR-UHFFFAOYSA-N 0 0 332.385 1.725 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 ZINC000173810582 138675317 /nfs/dbraw/zinc/67/53/17/138675317.db2.gz LXXKCUDDQLBCMU-INIZCTEOSA-N 0 0 341.415 1.255 10 0 EDAERN COc1ccccc1O[C@@H](C)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175122869 138691865 /nfs/dbraw/zinc/69/18/65/138691865.db2.gz XWEAQCTXJXDTPI-QWHCGFSZSA-N 0 0 345.403 1.368 10 0 EDAERN CC[C@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccncc1 ZINC000175292676 138693763 /nfs/dbraw/zinc/69/37/63/138693763.db2.gz XCTLBNXXRHKQFH-CVEARBPZSA-N 0 0 329.404 1.840 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000125786408 283395468 /nfs/dbraw/zinc/39/54/68/283395468.db2.gz MGGNTHMVQMXEFK-AWEZNQCLSA-N 0 0 331.351 1.754 10 0 EDAERN CC[C@H](C)NC(=O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000036141486 213073041 /nfs/dbraw/zinc/07/30/41/213073041.db2.gz LIMGPRCBMKBATI-CMPLNLGQSA-N 0 0 325.434 1.648 10 0 EDAERN Cc1cccc(OCCNC(=O)CSCc2nnnn2C(C)C)c1 ZINC000176917803 237363102 /nfs/dbraw/zinc/36/31/02/237363102.db2.gz PFBLPPPHGBYXBZ-UHFFFAOYSA-N 0 0 349.460 1.991 10 0 EDAERN CC(=O)N1CCN(C(=O)Cc2csc(-c3ccncc3)n2)CC1 ZINC000031864950 212754607 /nfs/dbraw/zinc/75/46/07/212754607.db2.gz WSDWJJFKAZIIOH-UHFFFAOYSA-N 0 0 330.413 1.438 10 0 EDAERN O=C(CCS(=O)(=O)Cc1ccccc1Cl)NC[C@@H]1CCCO1 ZINC000000263191 209509580 /nfs/dbraw/zinc/50/95/80/209509580.db2.gz GBTUFHFBLURKAX-ZDUSSCGKSA-N 0 0 345.848 1.940 10 0 EDAERN Cn1nnc2c1CCN([C@H](C(=O)N1CCCCC1)c1ccccc1)C2 ZINC000072308838 216146138 /nfs/dbraw/zinc/14/61/38/216146138.db2.gz UTWWBXSASBTSHO-SFHVURJKSA-N 0 0 339.443 1.927 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)CCCOCc1ccccc1 ZINC000184785653 138798076 /nfs/dbraw/zinc/79/80/76/138798076.db2.gz FOBPSLCHNUJXGZ-UHFFFAOYSA-N 0 0 338.433 1.776 10 0 EDAERN Cc1noc([C@H]2COCCN2Cc2nc(Cc3ccccc3)no2)n1 ZINC000185074549 138800750 /nfs/dbraw/zinc/80/07/50/138800750.db2.gz SDWAIFUGQPQNLV-CQSZACIVSA-N 0 0 341.371 1.925 10 0 EDAERN CCOC(=O)c1ccc(-n2ccc3c(c(C)nc4ncnn43)c2=O)cc1 ZINC000072449373 216239144 /nfs/dbraw/zinc/23/91/44/216239144.db2.gz SHKLPSVXWAFWBG-UHFFFAOYSA-N 0 0 349.350 1.914 10 0 EDAERN Cc1cnn(Cc2cc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)no2)c1 ZINC000130476948 223155464 /nfs/dbraw/zinc/15/54/64/223155464.db2.gz NFPGTWXTYXAZDL-MRXNPFEDSA-N 0 0 340.387 1.939 10 0 EDAERN COC(=O)c1c2c(sc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C)CCCC2 ZINC000072618496 216282757 /nfs/dbraw/zinc/28/27/57/216282757.db2.gz BHLLITJDPQNGCG-WCBMZHEXSA-N 0 0 336.413 1.877 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCSc1ccc(F)cc1 ZINC000188548159 138844493 /nfs/dbraw/zinc/84/44/93/138844493.db2.gz BDIWLGBCWRLHSP-UKRRQHHQSA-N 0 0 340.420 1.406 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000188548040 138844554 /nfs/dbraw/zinc/84/45/54/138844554.db2.gz LMOQUNGMGIPDAF-UHFFFAOYSA-N 0 0 347.234 1.267 10 0 EDAERN Cc1cccc([C@@H](O)CNc2cc(N3CCC[C@@H]3CO)ncn2)c1 ZINC000132577501 223344613 /nfs/dbraw/zinc/34/46/13/223344613.db2.gz GJAWOWBHMXMHQL-CVEARBPZSA-N 0 0 328.416 1.892 10 0 EDAERN O=C(Cc1ccc(Br)s1)N1CC(NC(=O)C2CC2)C1 ZINC000189424858 138872591 /nfs/dbraw/zinc/87/25/91/138872591.db2.gz RIVDGAMBDBZFDD-UHFFFAOYSA-N 0 0 343.246 1.790 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000109944238 220003718 /nfs/dbraw/zinc/00/37/18/220003718.db2.gz DOCJEOWKRKMMIY-CZUORRHYSA-N 0 0 331.416 1.438 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000076098602 216714274 /nfs/dbraw/zinc/71/42/74/216714274.db2.gz GZZHVLZRQFNFQV-OQPBUACISA-N 0 0 335.791 1.695 10 0 EDAERN Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cnn1C ZINC000190086301 138884767 /nfs/dbraw/zinc/88/47/67/138884767.db2.gz TUVKBSPYPIPAFR-KGLIPLIRSA-N 0 0 332.404 1.108 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccccc1OC(F)F ZINC000191157773 138906389 /nfs/dbraw/zinc/90/63/89/138906389.db2.gz REFAXAHMYIXOCG-JTQLQIEISA-N 0 0 327.331 1.708 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(CSc3nc[nH]n3)cc2)C1 ZINC000191492797 138915811 /nfs/dbraw/zinc/91/58/11/138915811.db2.gz CAAUDKIXPAYKCP-UHFFFAOYSA-N 0 0 331.401 1.058 10 0 EDAERN COCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000020580548 212150478 /nfs/dbraw/zinc/15/04/78/212150478.db2.gz UUMMDXFZJDIBEG-SNVBAGLBSA-N 0 0 332.385 1.644 10 0 EDAERN NC(=S)c1cccc(S(=O)(=O)NCCc2cccs2)c1 ZINC000020564124 212148063 /nfs/dbraw/zinc/14/80/63/212148063.db2.gz VEVBURVGIVHBGG-UHFFFAOYSA-N 0 0 326.468 1.903 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cnn4ccc(C)nc34)CCO2)cn1 ZINC000191733360 138922744 /nfs/dbraw/zinc/92/27/44/138922744.db2.gz DHHCOTVXZYEXAI-HNNXBMFYSA-N 0 0 340.387 1.468 10 0 EDAERN O=C(CCN1CCOCC1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000020451451 212130871 /nfs/dbraw/zinc/13/08/71/212130871.db2.gz NMFAHRJXCFGEES-QGZVFWFLSA-N 0 0 335.423 1.951 10 0 EDAERN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ncccn3)CC2=O)cc1 ZINC000020370702 212123491 /nfs/dbraw/zinc/12/34/91/212123491.db2.gz DGRYHXHTULRMJU-GFCCVEGCSA-N 0 0 339.355 1.427 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000247742658 284163861 /nfs/dbraw/zinc/16/38/61/284163861.db2.gz XGAWBXVGJXNYBV-CYDGBPFRSA-N 0 0 348.365 1.956 10 0 EDAERN COc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000193018176 138958990 /nfs/dbraw/zinc/95/89/90/138958990.db2.gz CSVFNSAACNIWOQ-ZWNOBZJWSA-N 0 0 340.807 1.954 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000193076387 138960306 /nfs/dbraw/zinc/96/03/06/138960306.db2.gz SOIIHFSSRVOWRV-NCOADZHNSA-N 0 0 332.400 1.005 10 0 EDAERN CC(C)n1nnnc1CNc1ccccc1C(=O)N1CCOCC1 ZINC000194993110 139003973 /nfs/dbraw/zinc/00/39/73/139003973.db2.gz OQADUQSJEVKWCK-UHFFFAOYSA-N 0 0 330.392 1.339 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1)C1CCC1 ZINC000195223981 139010560 /nfs/dbraw/zinc/01/05/60/139010560.db2.gz MPGTZSJJBYGBQT-JKSUJKDBSA-N 0 0 331.391 1.992 10 0 EDAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195333632 139014759 /nfs/dbraw/zinc/01/47/59/139014759.db2.gz DPSNNXJGMQRZRT-OAHLLOKOSA-N 0 0 336.457 1.789 10 0 EDAERN Cc1cc(S(N)(=O)=O)ccc1OCCCOCC(F)(F)F ZINC000049312753 214000413 /nfs/dbraw/zinc/00/04/13/214000413.db2.gz ZCSWGDRREAXJQT-UHFFFAOYSA-N 0 0 327.324 1.990 10 0 EDAERN CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000049556777 214019445 /nfs/dbraw/zinc/01/94/45/214019445.db2.gz CDDOVGQLDVHNSU-UHFFFAOYSA-N 0 0 332.447 1.599 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000195519822 139019529 /nfs/dbraw/zinc/01/95/29/139019529.db2.gz UAEHZAMMAOXIFV-STQMWFEESA-N 0 0 327.450 1.322 10 0 EDAERN CCN(C)C(=O)[C@@H](C)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249045499 284302190 /nfs/dbraw/zinc/30/21/90/284302190.db2.gz HINSKUIZSWIQCN-WQGACYEGSA-N 0 0 344.477 1.168 10 0 EDAERN [NH3+][C@@H](CCS(=O)(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000017149161 211957087 /nfs/dbraw/zinc/95/70/87/211957087.db2.gz GPGAAUSADRXAQI-VIFPVBQESA-N 0 0 326.296 1.249 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)N1CCCCCC1 ZINC000073462239 291550353 /nfs/dbraw/zinc/55/03/53/291550353.db2.gz OYOMDPWWWYIRJF-KKUMJFAQSA-N 0 0 344.477 1.913 10 0 EDAERN O=C(Nc1cccc(Cl)c1F)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176099987 284349949 /nfs/dbraw/zinc/34/99/49/284349949.db2.gz GZHCHNPAASWEOB-JTQLQIEISA-N 0 0 337.742 1.660 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1nc2ccccc2n1C ZINC000111097277 220100201 /nfs/dbraw/zinc/10/02/01/220100201.db2.gz SLSJAPISMGWNPH-GFCCVEGCSA-N 0 0 340.383 1.943 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)CCC(=O)NCCNC(C)=O)cc1 ZINC000111539279 220164675 /nfs/dbraw/zinc/16/46/75/220164675.db2.gz VHPRRZCQXKTLMQ-ZDUSSCGKSA-N 0 0 333.432 1.459 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCCc2c(N)cccc21 ZINC000237719222 139058516 /nfs/dbraw/zinc/05/85/16/139058516.db2.gz BNTMXMYXCAJOOC-UHFFFAOYSA-N 0 0 337.383 1.435 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)c(O)c1 ZINC000111621551 220171761 /nfs/dbraw/zinc/17/17/61/220171761.db2.gz QLDVFPXBYQTMGJ-OAHLLOKOSA-N 0 0 345.399 1.755 10 0 EDAERN O=C(Nc1nnc(C(F)F)s1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111738073 220187601 /nfs/dbraw/zinc/18/76/01/220187601.db2.gz VWLAYFSXUXPTNM-MRVPVSSYSA-N 0 0 344.347 1.605 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCCOC(C)C)CCO2)n1 ZINC000111794109 220191229 /nfs/dbraw/zinc/19/12/29/220191229.db2.gz BFYIVTGWOXMLKP-INIZCTEOSA-N 0 0 338.452 1.725 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCNC(=O)c3ccco3)C2)c1 ZINC000111812596 220196365 /nfs/dbraw/zinc/19/63/65/220196365.db2.gz WHHRSGCSXWGDTR-CQSZACIVSA-N 0 0 345.403 1.561 10 0 EDAERN CCOc1cccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111814513 220196969 /nfs/dbraw/zinc/19/69/69/220196969.db2.gz UFLVPVOJINPERG-QGZVFWFLSA-N 0 0 344.415 1.892 10 0 EDAERN O=C(NCCc1cccc(O)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111851752 220207198 /nfs/dbraw/zinc/20/71/98/220207198.db2.gz LZVMSDAULGWMGS-MRXNPFEDSA-N 0 0 330.388 1.242 10 0 EDAERN O=C(NCc1cccc(-n2cncn2)c1)N[C@@H]1CCCC[C@H]1CO ZINC000081496839 217407660 /nfs/dbraw/zinc/40/76/60/217407660.db2.gz GNHDZYUQKQSDRN-GOEBONIOSA-N 0 0 329.404 1.618 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)c1 ZINC000112060972 220235835 /nfs/dbraw/zinc/23/58/35/220235835.db2.gz PBDFEIIHEYPPBW-ZDUSSCGKSA-N 0 0 331.420 1.753 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Nn3cnc4ccccc43)CCO2)c1 ZINC000112105141 220244999 /nfs/dbraw/zinc/24/49/99/220244999.db2.gz HHIMDLZSMLDVOS-AWEZNQCLSA-N 0 0 340.387 1.606 10 0 EDAERN COCCn1ccc(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)n1 ZINC000150822514 223745225 /nfs/dbraw/zinc/74/52/25/223745225.db2.gz VURQFTSYSUPLTQ-CQSZACIVSA-N 0 0 332.408 1.903 10 0 EDAERN COc1ncnc(N(C)C)c1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000151332426 223809170 /nfs/dbraw/zinc/80/91/70/223809170.db2.gz OWFHLLAFWFTKTQ-NSHDSACASA-N 0 0 345.407 1.306 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)Nc2nnc(C(F)F)s2)C[C@@H]1C ZINC000246054622 139093375 /nfs/dbraw/zinc/09/33/75/139093375.db2.gz QEWRONXDFOJHQW-YUMQZZPRSA-N 0 0 335.380 1.395 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)COc1c(C)nn(C)c1C ZINC000246127303 139095888 /nfs/dbraw/zinc/09/58/88/139095888.db2.gz UHZQMNOPECQHTO-KFWWJZLASA-N 0 0 349.431 1.748 10 0 EDAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@H]2CCCn3nc(CC)nc32)CC1=O ZINC000246131774 139095971 /nfs/dbraw/zinc/09/59/71/139095971.db2.gz CROOHLICKFQEIV-MJBXVCDLSA-N 0 0 347.463 1.829 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246172158 139097599 /nfs/dbraw/zinc/09/75/99/139097599.db2.gz BGVIOXFHFLYPKB-MNOVXSKESA-N 0 0 331.825 1.649 10 0 EDAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246243805 139100785 /nfs/dbraw/zinc/10/07/85/139100785.db2.gz MNLDBLGVELPZEV-GXTWGEPZSA-N 0 0 334.420 1.548 10 0 EDAERN CCc1ccc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000246471475 139109637 /nfs/dbraw/zinc/10/96/37/139109637.db2.gz OCINPPJBVZZMPK-QAPCUYQASA-N 0 0 331.460 1.840 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)C[C@H]1N1CCOCC1 ZINC000246406886 139107313 /nfs/dbraw/zinc/10/73/13/139107313.db2.gz DUTUABYJYLXSAP-BXUZGUMPSA-N 0 0 346.399 1.306 10 0 EDAERN C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@@H]1N1CCOCC1 ZINC000246616864 139115349 /nfs/dbraw/zinc/11/53/49/139115349.db2.gz YPERYVGRFQJRMG-HCXYKTFWSA-N 0 0 349.519 1.820 10 0 EDAERN COc1cc(OC)cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246817709 139122806 /nfs/dbraw/zinc/12/28/06/139122806.db2.gz JRSQNNXMVCYMPC-BLLLJJGKSA-N 0 0 342.461 1.711 10 0 EDAERN Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246824338 139123303 /nfs/dbraw/zinc/12/33/03/139123303.db2.gz CKWIDLAMBQJHAN-QZTJIDSGSA-N 0 0 334.460 1.450 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1cccc(F)c1 ZINC000087250414 217720755 /nfs/dbraw/zinc/72/07/55/217720755.db2.gz BKTATJOJOGXFGN-KGLIPLIRSA-N 0 0 347.394 1.847 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(F)ccc2C)C[C@@H]1C ZINC000246952095 139128117 /nfs/dbraw/zinc/12/81/17/139128117.db2.gz CUXATFKKIRQJQY-ZDUSSCGKSA-N 0 0 330.425 1.475 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H](C)c2nnc3n2CCCC3)C1 ZINC000247055327 139133572 /nfs/dbraw/zinc/13/35/72/139133572.db2.gz MHZNINSWARYBEP-FRRDWIJNSA-N 0 0 334.420 1.771 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)C[C@H]1C ZINC000247105742 139135771 /nfs/dbraw/zinc/13/57/71/139135771.db2.gz IQCWUKRTFNMEDE-BRWVUGGUSA-N 0 0 333.476 1.905 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000247195341 139139881 /nfs/dbraw/zinc/13/98/81/139139881.db2.gz ZSJOPWNHAFBYPF-XOUADPBQSA-N 0 0 337.464 1.890 10 0 EDAERN CCCCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CCO2)C1(C)C ZINC000247375768 139146440 /nfs/dbraw/zinc/14/64/40/139146440.db2.gz SQAFBBDPKNURFW-SOUVJXGZSA-N 0 0 327.469 1.600 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(F)cc2F)C[C@@H]1C ZINC000247396040 139147148 /nfs/dbraw/zinc/14/71/48/139147148.db2.gz XVTQQEYAZRJLCG-QWHCGFSZSA-N 0 0 341.402 1.944 10 0 EDAERN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)NCC(C)C ZINC000012200468 211318455 /nfs/dbraw/zinc/31/84/55/211318455.db2.gz VWTKRTDKYJYXGM-UHFFFAOYSA-N 0 0 340.401 1.283 10 0 EDAERN Cc1cc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)no1 ZINC000012022281 211279752 /nfs/dbraw/zinc/27/97/52/211279752.db2.gz PGJNKHSIPNZBBY-VIFPVBQESA-N 0 0 349.368 1.548 10 0 EDAERN CCOC(=O)CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000009784149 211124580 /nfs/dbraw/zinc/12/45/80/211124580.db2.gz ISWSOBYHICVDHY-UHFFFAOYSA-N 0 0 342.417 1.655 10 0 EDAERN CC[C@@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 ZINC000009781157 211124228 /nfs/dbraw/zinc/12/42/28/211124228.db2.gz LBCPXFKUSYJDLD-RISCZKNCSA-N 0 0 336.363 1.498 10 0 EDAERN CCCN(CCC)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000009704691 211118374 /nfs/dbraw/zinc/11/83/74/211118374.db2.gz RJDKVMUISOAKLF-UHFFFAOYSA-N 0 0 338.429 1.734 10 0 EDAERN CCOCCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000093350687 218216449 /nfs/dbraw/zinc/21/64/49/218216449.db2.gz IMZACQHPRXQCED-LBPRGKRZSA-N 0 0 328.434 1.829 10 0 EDAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000249287424 139190496 /nfs/dbraw/zinc/19/04/96/139190496.db2.gz PVXWYBIBEKAPGU-GDBMZVCRSA-N 0 0 349.456 1.749 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C[S@](=O)c2ncc(F)cn2)C1 ZINC000095084362 218275538 /nfs/dbraw/zinc/27/55/38/218275538.db2.gz WFZYVGFDWUDRNP-ZQJOYCHOSA-N 0 0 329.397 1.980 10 0 EDAERN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1C[C@H]1C ZINC000252147343 139203997 /nfs/dbraw/zinc/20/39/97/139203997.db2.gz OCSOOVMNVQKNOF-SNPRPXQTSA-N 0 0 336.457 1.828 10 0 EDAERN Cc1noc([C@H]2CCC3(CCN(S(=O)(=O)C4CC4)CC3)O2)n1 ZINC000096109967 218605454 /nfs/dbraw/zinc/60/54/54/218605454.db2.gz ZUBPGCOQAACDOK-GFCCVEGCSA-N 0 0 327.406 1.556 10 0 EDAERN CCCNC(=S)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006334629 210620043 /nfs/dbraw/zinc/62/00/43/210620043.db2.gz DGYRILFIGNYNDE-UHFFFAOYSA-N 0 0 341.502 1.586 10 0 EDAERN COCCN1CCCN(C(=O)N[C@@H](C)c2ccccc2C)CC1=O ZINC000188382064 285015577 /nfs/dbraw/zinc/01/55/77/285015577.db2.gz NDQSXIFKWPMAHO-HNNXBMFYSA-N 0 0 333.432 1.946 10 0 EDAERN COc1cc(NC(=O)[C@@H](N)c2cnn(C)c2)ccc1Br ZINC000169126715 533007286 /nfs/dbraw/zinc/00/72/86/533007286.db2.gz NPEIWSRXBYYJFB-LBPRGKRZSA-N 0 0 339.193 1.830 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C(C)C)c2)ncn1 ZINC000187881873 533049201 /nfs/dbraw/zinc/04/92/01/533049201.db2.gz QUOORSVFUVKKQW-CQSZACIVSA-N 0 0 343.435 1.695 10 0 EDAERN CNc1cc(N2CCSC[C@H]2S(C)(=O)=O)nc(C(C)C)n1 ZINC000163875186 533053201 /nfs/dbraw/zinc/05/32/01/533053201.db2.gz DKLSAUMHUDZKCG-GFCCVEGCSA-N 0 0 330.479 1.566 10 0 EDAERN CCC(=O)Nc1cccc(N(CCOC(C)=O)CCOC(C)=O)c1 ZINC000005138652 210397580 /nfs/dbraw/zinc/39/75/80/210397580.db2.gz VFMLUXFDWFQZNA-UHFFFAOYSA-N 0 0 336.388 1.968 10 0 EDAERN O=c1c2cnn(CCO)c2ncn1Cc1cccc(C(F)(F)F)c1 ZINC000004940566 210331628 /nfs/dbraw/zinc/33/16/28/210331628.db2.gz CILANVGKWIVURN-UHFFFAOYSA-N 0 0 338.289 1.652 10 0 EDAERN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ncccn1 ZINC000112519107 220343978 /nfs/dbraw/zinc/34/39/78/220343978.db2.gz GOSRBZQYOQQGSK-VXGBXAGGSA-N 0 0 348.428 1.558 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1csc(-c2ccccn2)n1 ZINC000112650162 220363984 /nfs/dbraw/zinc/36/39/84/220363984.db2.gz FHWKGIWCHMHVLO-SNVBAGLBSA-N 0 0 326.385 1.541 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)CC2CCOCC2)C1 ZINC000263380936 139339132 /nfs/dbraw/zinc/33/91/32/139339132.db2.gz OYHXTYSFAZLBHJ-LRVUVFPRSA-N 0 0 341.452 1.428 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)Nc3ccn(C)n3)CC2)cn1 ZINC000112737283 220391734 /nfs/dbraw/zinc/39/17/34/220391734.db2.gz ZSGKELNCXXWGNJ-UHFFFAOYSA-N 0 0 331.424 1.376 10 0 EDAERN O=C(NCc1ccccc1OC(F)F)N[C@H]1CCc2ncnn2C1 ZINC000112741791 220392275 /nfs/dbraw/zinc/39/22/75/220392275.db2.gz WCIPWYQFJFNQTP-NSHDSACASA-N 0 0 337.330 1.694 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCCNC(=O)c1ccsc1 ZINC000187643828 533122995 /nfs/dbraw/zinc/12/29/95/533122995.db2.gz JOOXJMXLJPOCHY-MRXNPFEDSA-N 0 0 338.429 1.812 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000187639594 533124190 /nfs/dbraw/zinc/12/41/90/533124190.db2.gz DIRFCQISYIIJOV-QGZVFWFLSA-N 0 0 328.372 1.499 10 0 EDAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)C[C@@H](C)CC)CC2)n1 ZINC000113292602 220515016 /nfs/dbraw/zinc/51/50/16/220515016.db2.gz VHSLJAUIOMPRQY-STQMWFEESA-N 0 0 344.481 1.687 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CCO2)c1 ZINC000154258823 224227596 /nfs/dbraw/zinc/22/75/96/224227596.db2.gz UVDGOOZDKWYSDI-AWEZNQCLSA-N 0 0 335.354 1.940 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116123917 220931863 /nfs/dbraw/zinc/93/18/63/220931863.db2.gz SBVAEOZXHCAXCJ-CYBMUJFWSA-N 0 0 327.450 1.341 10 0 EDAERN COCCOc1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000116410045 220960400 /nfs/dbraw/zinc/96/04/00/220960400.db2.gz LGBSUBMOWMSFSZ-CYBMUJFWSA-N 0 0 345.403 1.862 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1CC ZINC000116899023 221008451 /nfs/dbraw/zinc/00/84/51/221008451.db2.gz OJVVRLIKZOYDFF-OAHLLOKOSA-N 0 0 344.452 1.947 10 0 EDAERN C[NH+](C)C[C@@H]1CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CCO1 ZINC000116977983 221018054 /nfs/dbraw/zinc/01/80/54/221018054.db2.gz GCICOPCEAWQTPW-GFCCVEGCSA-N 0 0 348.378 1.120 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCC[S@](=O)C(C)(C)C)cn1 ZINC000116968244 221018205 /nfs/dbraw/zinc/01/82/05/221018205.db2.gz RGMKMTVHGJKXNO-MCMMXHMISA-N 0 0 326.466 1.814 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)C[C@@H]1C ZINC000117443797 221064214 /nfs/dbraw/zinc/06/42/14/221064214.db2.gz CVXBKEZUQPPPSP-AWEZNQCLSA-N 0 0 344.419 1.452 10 0 EDAERN COCCN1CCN(C(=O)CCNC(=O)c2cccs2)C[C@@H]1C ZINC000117288063 221044953 /nfs/dbraw/zinc/04/49/53/221044953.db2.gz LMVWROUNRRQMPE-ZDUSSCGKSA-N 0 0 339.461 1.047 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(OC)c2OC)CCN1CCOC ZINC000117299890 221049371 /nfs/dbraw/zinc/04/93/71/221049371.db2.gz DKQCBBUFXBCCOV-AWEZNQCLSA-N 0 0 336.432 1.887 10 0 EDAERN CC[C@@H]1CN(C(=O)CSCc2ccncc2)CCN1CCOC ZINC000117303290 221049916 /nfs/dbraw/zinc/04/99/16/221049916.db2.gz GJCYHHKDGXLWIL-MRXNPFEDSA-N 0 0 337.489 1.884 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000117522898 221074196 /nfs/dbraw/zinc/07/41/96/221074196.db2.gz MHVFYQVVMGMCFB-MRXNPFEDSA-N 0 0 347.459 1.729 10 0 EDAERN COCCN1CCN(C(=O)NCCCNc2ccc(C)cn2)C[C@@H]1C ZINC000117479250 221069117 /nfs/dbraw/zinc/06/91/17/221069117.db2.gz DYJZZZYQZRMJQC-INIZCTEOSA-N 0 0 349.479 1.554 10 0 EDAERN CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118674945 221168039 /nfs/dbraw/zinc/16/80/39/221168039.db2.gz GMTXLTUDFWKRLQ-CYBMUJFWSA-N 0 0 333.436 1.114 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@@H]1N1CCOCC1 ZINC000154577634 224274278 /nfs/dbraw/zinc/27/42/78/224274278.db2.gz DGWDBIPYAITYKZ-CJNGLKHVSA-N 0 0 341.415 1.264 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1nc(Br)cs1 ZINC000119161021 221255702 /nfs/dbraw/zinc/25/57/02/221255702.db2.gz XLQVJWHKKBXDHT-SSDOTTSWSA-N 0 0 332.223 1.598 10 0 EDAERN Cc1ccncc1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000119421766 221317475 /nfs/dbraw/zinc/31/74/75/221317475.db2.gz TZYVWXQQUCVOAI-UHFFFAOYSA-N 0 0 327.388 1.468 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Cl)c2cccnc12 ZINC000119539257 221343165 /nfs/dbraw/zinc/34/31/65/221343165.db2.gz MYVAVMRSJGBONN-GFCCVEGCSA-N 0 0 349.818 1.311 10 0 EDAERN CCc1nnc(CN2CCOC[C@@H]2CC(=O)c2cccs2)n1C ZINC000119586697 221354145 /nfs/dbraw/zinc/35/41/45/221354145.db2.gz HDOVLYWFBREQHQ-LBPRGKRZSA-N 0 0 334.445 1.913 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000119765735 221396559 /nfs/dbraw/zinc/39/65/59/221396559.db2.gz JPOKGVHRBRJKFD-STQMWFEESA-N 0 0 349.435 1.275 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1ccccc1O ZINC000154966163 224335056 /nfs/dbraw/zinc/33/50/56/224335056.db2.gz MNGPJPNJYXCTJG-CYBMUJFWSA-N 0 0 330.388 1.714 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(Cl)c1)N1CCOCC1 ZINC000155214240 224377761 /nfs/dbraw/zinc/37/77/61/224377761.db2.gz ZOWKYGJYQZBZKH-SNVBAGLBSA-N 0 0 343.786 1.255 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000155233744 224381599 /nfs/dbraw/zinc/38/15/99/224381599.db2.gz QUEGIGPGSOZPIS-GFCCVEGCSA-N 0 0 345.403 1.837 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(O)c(F)c1 ZINC000152970804 533283501 /nfs/dbraw/zinc/28/35/01/533283501.db2.gz YHWUAYICAGGQRN-LBPRGKRZSA-N 0 0 349.366 1.604 10 0 EDAERN C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCN(C)CC1 ZINC000168826504 533295184 /nfs/dbraw/zinc/29/51/84/533295184.db2.gz ONCFZJJJXHHNEV-ZFWWWQNUSA-N 0 0 343.393 1.912 10 0 EDAERN CS(=O)(=O)CCN(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000178775463 533357258 /nfs/dbraw/zinc/35/72/58/533357258.db2.gz VZHKYCVFJPCNNV-CQSZACIVSA-N 0 0 338.429 1.729 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173689640 533392694 /nfs/dbraw/zinc/39/26/94/533392694.db2.gz LSEATBBMYDWHDW-ZDUSSCGKSA-N 0 0 343.387 1.397 10 0 EDAERN COC(=O)C[C@@H]1CN(C(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000148126710 533643267 /nfs/dbraw/zinc/64/32/67/533643267.db2.gz KXZZAHVUGCTWCJ-SECBINFHSA-N 0 0 333.171 1.793 10 0 EDAERN COc1ccccc1N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 ZINC000034425956 132388472 /nfs/dbraw/zinc/38/84/72/132388472.db2.gz ZDQIBIUDSQSSJJ-KRWDZBQOSA-N 0 0 325.412 1.871 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CCO1 ZINC000040670761 132404797 /nfs/dbraw/zinc/40/47/97/132404797.db2.gz IHMMSYDNUVJPMZ-CYBMUJFWSA-N 0 0 338.429 1.478 10 0 EDAERN O=C1COCCN1c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000041452195 132410793 /nfs/dbraw/zinc/41/07/93/132410793.db2.gz LXCSYKZNMYNDRF-UHFFFAOYSA-N 0 0 346.408 1.528 10 0 EDAERN CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)c2ccccc21 ZINC000062270044 132436708 /nfs/dbraw/zinc/43/67/08/132436708.db2.gz MAIBFULTOHGMDK-CYBMUJFWSA-N 0 0 347.396 1.016 10 0 EDAERN COc1ccc2c(c1)N(S(=O)(=O)c1c(C)noc1C)CC[C@@H]2O ZINC000062553401 132805716 /nfs/dbraw/zinc/80/57/16/132805716.db2.gz DNBIXJYPLWTSBH-AWEZNQCLSA-N 0 0 338.385 1.932 10 0 EDAERN Cc1nc2cc(C)ccn2c1C(=O)N1CCN(c2ncccn2)CC1 ZINC000071468564 132814418 /nfs/dbraw/zinc/81/44/18/132814418.db2.gz FPYVNPSOFGCWFL-UHFFFAOYSA-N 0 0 336.399 1.704 10 0 EDAERN O=C([C@@H]1COc2ccccc2O1)N1CCN[C@@H](c2cccnc2)C1 ZINC000328658665 140668010 /nfs/dbraw/zinc/66/80/10/140668010.db2.gz RLWWWSHLPMHDGK-PBHICJAKSA-N 0 0 325.368 1.395 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000329266487 140703942 /nfs/dbraw/zinc/70/39/42/140703942.db2.gz FPBDCRMNHFTTQN-NWANDNLSSA-N 0 0 338.429 1.133 10 0 EDAERN Cc1nc(-c2ccccn2)sc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000329471213 140731178 /nfs/dbraw/zinc/73/11/78/140731178.db2.gz YVKAVOQQPOBBNY-CYBMUJFWSA-N 0 0 344.440 1.670 10 0 EDAERN O=C(NC[C@H](O)C1CCOCC1)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000333044641 141254671 /nfs/dbraw/zinc/25/46/71/141254671.db2.gz PFYWQKGUTNWMOV-HOTGVXAUSA-N 0 0 338.448 1.071 10 0 EDAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cn2ccccc2n1 ZINC000333275769 141291507 /nfs/dbraw/zinc/29/15/07/141291507.db2.gz OJERDWDTOWJEKN-KGLIPLIRSA-N 0 0 326.400 1.855 10 0 EDAERN C[C@H](CS(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1)c1ccccc1 ZINC000333459536 141320623 /nfs/dbraw/zinc/32/06/23/141320623.db2.gz PGZRWRWKMNBMIE-ARGWCVDVSA-N 0 0 329.487 1.820 10 0 EDAERN O=C(Nc1ccsc1Cl)N(CCO)CCN1CCOCC1 ZINC000333517104 141330284 /nfs/dbraw/zinc/33/02/84/141330284.db2.gz GGUKEMRHDWAECU-UHFFFAOYSA-N 0 0 333.841 1.560 10 0 EDAERN CN1CCN(C(=O)C2CCN(c3cnc4c(n3)CCCC4)CC2)CC1 ZINC000333545839 141334544 /nfs/dbraw/zinc/33/45/44/141334544.db2.gz OMLLINARTSVYPH-UHFFFAOYSA-N 0 0 343.475 1.346 10 0 EDAERN O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCC[C@](F)(CO)C1 ZINC000333737445 141369668 /nfs/dbraw/zinc/36/96/68/141369668.db2.gz XNMXQENLUMUUOI-QGZVFWFLSA-N 0 0 326.412 1.348 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCCNC(C)=O)C12CCCC2 ZINC000153621760 286319438 /nfs/dbraw/zinc/31/94/38/286319438.db2.gz UOLLQJWUEGNKTO-LSDHHAIUSA-N 0 0 325.453 1.892 10 0 EDAERN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000247190910 286783670 /nfs/dbraw/zinc/78/36/70/286783670.db2.gz SSUAXCCUZSKUCZ-QWHCGFSZSA-N 0 0 339.386 1.698 10 0 EDAERN O=C([C@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333696006 304437847 /nfs/dbraw/zinc/43/78/47/304437847.db2.gz DDSVUBZSLDVQBS-NBOOPKSLSA-N 0 0 344.411 1.270 10 0 EDAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCc2cncc(F)c2)C1 ZINC000330194789 161627385 /nfs/dbraw/zinc/62/73/85/161627385.db2.gz BGUNILYUVWKIJG-KBPBESRZSA-N 0 0 334.351 1.833 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccnc(OC)c1 ZINC000073591366 287261840 /nfs/dbraw/zinc/26/18/40/287261840.db2.gz XYFVTTXMCCNWHO-AWEZNQCLSA-N 0 0 334.420 1.633 10 0 EDAERN C[C@@H](NC(=O)NCC1(CO)COC1)c1cccc(Br)c1 ZINC000120504724 287361851 /nfs/dbraw/zinc/36/18/51/287361851.db2.gz LVKQKHRMPAOCGG-SNVBAGLBSA-N 0 0 343.221 1.818 10 0 EDAERN Nc1cc(I)ccc1NCCn1ccnn1 ZINC000163714277 226010527 /nfs/dbraw/zinc/01/05/27/226010527.db2.gz DNCTWVKYAVTIMO-UHFFFAOYSA-N 0 0 329.145 1.577 10 0 EDAERN C[C@@]1(O)CCCN(C(=O)c2cc(Br)c[nH+]c2NN)C1 ZINC000163658479 226002476 /nfs/dbraw/zinc/00/24/76/226002476.db2.gz RBKOPALRZSLRRB-GFCCVEGCSA-N 0 0 329.198 1.117 10 0 EDAERN C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2N)C1 ZINC000165102371 226109763 /nfs/dbraw/zinc/10/97/63/226109763.db2.gz IJYNTNMAQLLCIS-NXEZZACHSA-N 0 0 332.447 1.091 10 0 EDAERN C[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2Cl)C1 ZINC000165089980 226110180 /nfs/dbraw/zinc/11/01/80/226110180.db2.gz LEQKKCJZGCCOHF-QMMMGPOBSA-N 0 0 334.800 1.999 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)ccc1F ZINC000165504116 226126971 /nfs/dbraw/zinc/12/69/71/226126971.db2.gz JYXVAAMGEIMDFR-NSHDSACASA-N 0 0 345.378 1.878 10 0 EDAERN Cc1c(N)cnc(N[C@H](C)C(=O)N2CCOCC2)c1Br ZINC000165617208 226130098 /nfs/dbraw/zinc/13/00/98/226130098.db2.gz WBZZUCJEMFOOHQ-SECBINFHSA-N 0 0 343.225 1.394 10 0 EDAERN CN(C)C(=O)CCS(=O)(=O)c1ccc(Br)cc1N ZINC000165763191 226135221 /nfs/dbraw/zinc/13/52/21/226135221.db2.gz MCRPAJFSEHFWTH-UHFFFAOYSA-N 0 0 335.223 1.283 10 0 EDAERN CCS(=O)(=O)CCCS(=O)(=O)c1ccc(N)cc1Cl ZINC000165915018 226139660 /nfs/dbraw/zinc/13/96/60/226139660.db2.gz KZTNBDKZKNGZFP-UHFFFAOYSA-N 0 0 325.839 1.521 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(C(N)=S)cc1Cl)[C@H]1CCOC1 ZINC000166232699 226150693 /nfs/dbraw/zinc/15/06/93/226150693.db2.gz HIUVTWXIVZAFOP-WPRPVWTQSA-N 0 0 348.877 1.678 10 0 EDAERN C[C@H](Cn1nnnc1-c1cc(N)ccc1Br)[S@@](C)=O ZINC000166192803 226151660 /nfs/dbraw/zinc/15/16/60/226151660.db2.gz MWMWLBGVPQMBTA-XJZHNMMOSA-N 0 0 344.238 1.452 10 0 EDAERN [NH3+][C@H]1CCCC[C@@H]1Oc1nc[n-]c(=O)c1I ZINC000166452448 226157959 /nfs/dbraw/zinc/15/79/59/226157959.db2.gz HWUQSCOGGWYMTQ-BQBZGAKWSA-N 0 0 335.145 1.023 10 0 EDAERN NC(=S)CNS(=O)(=O)c1ccc(Br)cc1F ZINC000166505911 226160039 /nfs/dbraw/zinc/16/00/39/226160039.db2.gz LZRZXPDMTDOMTC-UHFFFAOYSA-N 0 0 327.200 1.153 10 0 EDAERN C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)C1 ZINC000167584482 226193188 /nfs/dbraw/zinc/19/31/88/226193188.db2.gz GDECTCDTNDYKJO-JGVFFNPUSA-N 0 0 339.244 1.967 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000167871095 226202668 /nfs/dbraw/zinc/20/26/68/226202668.db2.gz NPUIRVVLGCSLEZ-LEWSCRJBSA-N 0 0 342.233 1.834 10 0 EDAERN C[C@H]1CO[C@H](CO)CN1CC(=O)c1sccc1Br ZINC000168209275 226209435 /nfs/dbraw/zinc/20/94/35/226209435.db2.gz YOKPDXMRSPRZPU-IUCAKERBSA-N 0 0 334.235 1.775 10 0 EDAERN C[C@H]1CCCN(S(=O)(=O)Nc2ccc(C(N)=S)cc2F)C1 ZINC000168429077 226214908 /nfs/dbraw/zinc/21/49/08/226214908.db2.gz ZTXWOVRNNUCXPQ-VIFPVBQESA-N 0 0 331.438 1.849 10 0 EDAERN NC(=S)c1c(Br)cccc1N[C@H]1CCC(=O)NC1 ZINC000168745315 226221203 /nfs/dbraw/zinc/22/12/03/226221203.db2.gz COIQAVWFYHAJNH-ZETCQYMHSA-N 0 0 328.235 1.774 10 0 EDAERN C[C@H]1NC(=O)C(C)(C)N(Cc2ccc(Br)cn2)C1=O ZINC000168879357 226225004 /nfs/dbraw/zinc/22/50/04/226225004.db2.gz BVWVENTVZKCZBF-MRVPVSSYSA-N 0 0 326.194 1.470 10 0 EDAERN C[C@H](C[S@](C)=O)n1c2cccc(S(C)(=O)=O)c2[nH]c1=S ZINC000169106421 226231770 /nfs/dbraw/zinc/23/17/70/226231770.db2.gz OAAVXUOIMHPTNY-LILOVNGRSA-N 0 0 332.472 1.668 10 0 EDAERN CO[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC000170489235 226623981 /nfs/dbraw/zinc/62/39/81/226623981.db2.gz BRFQRCDHAAYZMH-AAEUAGOBSA-N 0 0 332.356 1.016 10 0 EDAERN C[C@H](CNC(=O)NCc1cc(-c2ccccc2)on1)N1CCOCC1 ZINC000171331306 227020571 /nfs/dbraw/zinc/02/05/71/227020571.db2.gz JURKMACZAGGXGA-CQSZACIVSA-N 0 0 344.415 1.862 10 0 EDAERN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000171403943 227062481 /nfs/dbraw/zinc/06/24/81/227062481.db2.gz NGNBURXLWFKGHW-RYUDHWBXSA-N 0 0 346.349 1.920 10 0 EDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cn1 ZINC000171433355 227078193 /nfs/dbraw/zinc/07/81/93/227078193.db2.gz UCWZZKVDZONNMJ-CQSZACIVSA-N 0 0 349.412 1.717 10 0 EDAERN COCCn1cc(NC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cn1 ZINC000171444882 227083873 /nfs/dbraw/zinc/08/38/73/227083873.db2.gz MIWZGVZCBXEHLJ-CYBMUJFWSA-N 0 0 348.407 1.708 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1nnc2n1CCCC2 ZINC000121785112 221932843 /nfs/dbraw/zinc/93/28/43/221932843.db2.gz ACSXXUWEQWUQOC-VIFPVBQESA-N 0 0 341.824 1.702 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCCNC(=O)C(C)C)CC2)cn1 ZINC000121832943 221946003 /nfs/dbraw/zinc/94/60/03/221946003.db2.gz OLRRUVXDFFZJQD-UHFFFAOYSA-N 0 0 349.479 1.954 10 0 EDAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000123123221 222220422 /nfs/dbraw/zinc/22/04/22/222220422.db2.gz JCTGVVJHFXIIMW-OAHLLOKOSA-N 0 0 335.452 1.025 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1noc(C)n1 ZINC000124490211 222437508 /nfs/dbraw/zinc/43/75/08/222437508.db2.gz DMNDWNNEHBCOPU-ABAIWWIYSA-N 0 0 330.388 1.839 10 0 EDAERN O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171579585 227150484 /nfs/dbraw/zinc/15/04/84/227150484.db2.gz QSQZXTNZSXZSPU-ZDUSSCGKSA-N 0 0 333.779 1.734 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000171587839 227156647 /nfs/dbraw/zinc/15/66/47/227156647.db2.gz QSYPMGYBKZSWCD-UHFFFAOYSA-N 0 0 340.387 1.487 10 0 EDAERN CCCCc1nnc(NC(=O)N2CCN(C[C@@H](O)CC)CC2)s1 ZINC000129662978 287479182 /nfs/dbraw/zinc/47/91/82/287479182.db2.gz PPKUKPZFPNGQMB-LBPRGKRZSA-N 0 0 341.481 1.801 10 0 EDAERN CCn1cc(C2CCN(C(=O)Cc3nc4ncccn4n3)CC2)cn1 ZINC000172377711 227662002 /nfs/dbraw/zinc/66/20/02/227662002.db2.gz VWOXORNJNZOGGW-UHFFFAOYSA-N 0 0 339.403 1.289 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000188547692 272958016 /nfs/dbraw/zinc/95/80/16/272958016.db2.gz QGQCQZXBODFUSJ-UHFFFAOYSA-N 0 0 337.228 1.644 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2F)C[C@H]1C ZINC000174351971 533684887 /nfs/dbraw/zinc/68/48/87/533684887.db2.gz ADXKRFWQKCKBPS-RKDXNWHRSA-N 0 0 334.313 1.770 10 0 EDAERN CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000193865585 272999089 /nfs/dbraw/zinc/99/90/89/272999089.db2.gz LVJPJDBWDXNDCU-SMDDNHRTSA-N 0 0 338.791 1.539 10 0 EDAERN Cn1c(CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)nnc1C1CC1 ZINC000194699546 273005102 /nfs/dbraw/zinc/00/51/02/273005102.db2.gz HXQRMDGIQRCYCM-KRWDZBQOSA-N 0 0 343.362 1.799 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1C ZINC000189107718 267769058 /nfs/dbraw/zinc/76/90/58/267769058.db2.gz DVGTUJUAOJQEIW-CQSZACIVSA-N 0 0 344.419 1.381 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)s1 ZINC000190542100 267800259 /nfs/dbraw/zinc/80/02/59/267800259.db2.gz QCRGKKOKJDADGV-GHMZBOCLSA-N 0 0 325.434 1.872 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000193760127 267847206 /nfs/dbraw/zinc/84/72/06/267847206.db2.gz UZOGRTDPZSPLCB-UHFFFAOYSA-N 0 0 339.823 1.984 10 0 EDAERN C[C@@H]1CN(C(=O)CCC(=O)OC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000192393904 287877956 /nfs/dbraw/zinc/87/79/56/287877956.db2.gz VRGBUFZBMVJEQP-ZIAGYGMSSA-N 0 0 326.437 1.287 10 0 EDAERN CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171987134 276917574 /nfs/dbraw/zinc/91/75/74/276917574.db2.gz UWCVBKMOCKKTTQ-QAPCUYQASA-N 0 0 343.427 1.333 10 0 EDAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nn1 ZINC000121856379 277128458 /nfs/dbraw/zinc/12/84/58/277128458.db2.gz OCAQUZUUZWXASD-UGSOOPFHSA-N 0 0 348.447 1.661 10 0 EDAERN COc1ccccc1N1CC[C@H](N2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246149714 278055220 /nfs/dbraw/zinc/05/52/20/278055220.db2.gz BYBFORQPUDYVIS-WBVHZDCISA-N 0 0 345.443 1.207 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000193825392 278073454 /nfs/dbraw/zinc/07/34/54/278073454.db2.gz DIKHFWZEVOAJPF-QVDUIBETSA-N 0 0 330.428 1.798 10 0 EDAERN CC(C)c1nnc(CN2CCCc3ccc(S(N)(=O)=O)cc32)n1C ZINC000176996086 278098970 /nfs/dbraw/zinc/09/89/70/278098970.db2.gz CVAHEPGNUQIGLY-UHFFFAOYSA-N 0 0 349.460 1.539 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000067569449 278177826 /nfs/dbraw/zinc/17/78/26/278177826.db2.gz YYRUIPSJZMWBBP-INIZCTEOSA-N 0 0 341.415 1.682 10 0 EDAERN CC(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000328790338 279255057 /nfs/dbraw/zinc/25/50/57/279255057.db2.gz YSDGWODQSIQKCT-HZPDHXFCSA-N 0 0 349.479 1.349 10 0 EDAERN CC(C)[C@@H]1N(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@]12CCCO2 ZINC000329459252 280042819 /nfs/dbraw/zinc/04/28/19/280042819.db2.gz OSPWGEXZXRVNAN-VNQPRFMTSA-N 0 0 329.462 1.617 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@]12CCCO2 ZINC000333984200 280044277 /nfs/dbraw/zinc/04/42/77/280044277.db2.gz FHJVHQNIRLGOHP-XJKSGUPXSA-N 0 0 344.477 1.553 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@]12CCCO2 ZINC000333624158 280048174 /nfs/dbraw/zinc/04/81/74/280048174.db2.gz QBBPWRCKTKPURI-VNHYZAJKSA-N 0 0 330.450 1.163 10 0 EDAERN CC(C)[C@H]1N(S(=O)(=O)N2CCOC(C)(C)C2)C[C@@]12CCCO2 ZINC000328856399 280476556 /nfs/dbraw/zinc/47/65/56/280476556.db2.gz UFYZZWKBGZWORZ-HIFRSBDPSA-N 0 0 332.466 1.231 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC[C@@H]1O ZINC000249441995 297041919 /nfs/dbraw/zinc/04/19/19/297041919.db2.gz KEYDIAYFYKFBKM-DVZHBHJUSA-N 0 0 329.462 1.414 10 0 EDAERN O=C(CN1CCCCC1=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000194523118 295500244 /nfs/dbraw/zinc/50/02/44/295500244.db2.gz BXRZUUAXQBDXGY-CYBMUJFWSA-N 0 0 336.413 1.034 10 0 EDAERN C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000083704624 300309490 /nfs/dbraw/zinc/30/94/90/300309490.db2.gz OLHLXKPPGSLXCC-WDEREUQCSA-N 0 0 332.857 1.321 10 0 EDAERN Cc1cccc(C(=O)N2CCOC[C@@H]2C(N)=O)c1Br ZINC000180214573 301949133 /nfs/dbraw/zinc/94/91/33/301949133.db2.gz VNJXLDXOSJEUQA-SNVBAGLBSA-N 0 0 327.178 1.084 10 0 EDAERN C[C@@H]1CN(C(=O)CN2CCN(Cc3ccccc3)CC2)CCS1 ZINC000171564762 302944185 /nfs/dbraw/zinc/94/41/85/302944185.db2.gz LJSQJGGJJOTZGQ-MRXNPFEDSA-N 0 0 333.501 1.768 10 0 EDAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000393532185 303852601 /nfs/dbraw/zinc/85/26/01/303852601.db2.gz WNQQAUFVZAVNIW-XVKPBYJWSA-N 0 0 327.178 1.552 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000174329097 533696812 /nfs/dbraw/zinc/69/68/12/533696812.db2.gz ZDMNSBXGVFDRLI-HZPDHXFCSA-N 0 0 342.443 1.459 10 0 EDAERN Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NN1CCOCC1 ZINC000000162961 440803755 /nfs/dbraw/zinc/80/37/55/440803755.db2.gz IQNOPNQQXOKULN-UHFFFAOYSA-N 0 0 333.175 1.383 10 0 EDAERN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(N)=O)CC2)c1C ZINC000046045795 441074275 /nfs/dbraw/zinc/07/42/75/441074275.db2.gz XGESAOQXWKXAMT-UHFFFAOYSA-N 0 0 349.431 1.465 10 0 EDAERN Cn1c2cncnc2n([C@H]2CCN(C(=O)Cc3ccccc3)C2)c1=O ZINC000097940730 441145865 /nfs/dbraw/zinc/14/58/65/441145865.db2.gz XYEKIBICLREFSI-AWEZNQCLSA-N 0 0 337.383 1.146 10 0 EDAERN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104798892 441210825 /nfs/dbraw/zinc/21/08/25/441210825.db2.gz OVQCSDGABNIBJS-AAEUAGOBSA-N 0 0 327.375 1.998 10 0 EDAERN Cc1csc(CCCCNC(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000104795775 441210887 /nfs/dbraw/zinc/21/08/87/441210887.db2.gz AAWKFVDMOKCCDK-ZDUSSCGKSA-N 0 0 326.466 1.404 10 0 EDAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104799363 441212440 /nfs/dbraw/zinc/21/24/40/441212440.db2.gz HLRLOVKOIKVGBJ-AWEZNQCLSA-N 0 0 343.374 1.760 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccccc3F)CC2)n1 ZINC000105864579 441295405 /nfs/dbraw/zinc/29/54/05/441295405.db2.gz CYXOOQUNWAUARY-MLGOLLRUSA-N 0 0 334.395 1.929 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)N(C1CC1)C1CCCC1 ZINC000105800063 441273885 /nfs/dbraw/zinc/27/38/85/441273885.db2.gz PAPWVEOUCCOEPW-UHFFFAOYSA-N 0 0 343.475 1.922 10 0 EDAERN CC(=O)c1c[nH]c(C(=O)N2CCC(N(C)c3cccnn3)CC2)c1 ZINC000105816056 441276903 /nfs/dbraw/zinc/27/69/03/441276903.db2.gz OMVJXTWLAHXTLR-UHFFFAOYSA-N 0 0 327.388 1.748 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)c3cccnc3Cl)CC2)cn1 ZINC000105825875 441281053 /nfs/dbraw/zinc/28/10/53/441281053.db2.gz KTWSLTCPOGBKEQ-UHFFFAOYSA-N 0 0 333.823 1.817 10 0 EDAERN CCc1noc([C@H](C)N2CCN(Cc3cccc(C(N)=O)c3)CC2)n1 ZINC000105865337 441296130 /nfs/dbraw/zinc/29/61/30/441296130.db2.gz SHDPKYZYYLPCMG-ZDUSSCGKSA-N 0 0 343.431 1.610 10 0 EDAERN O=C(Cc1ccccc1)NCCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105853968 441292057 /nfs/dbraw/zinc/29/20/57/441292057.db2.gz GVRSGPOKSOBGTR-MRXNPFEDSA-N 0 0 341.415 1.191 10 0 EDAERN COC(=O)c1ccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)o1 ZINC000105863827 441293605 /nfs/dbraw/zinc/29/36/05/441293605.db2.gz OXTSNKPPELOBBR-LLVKDONJSA-N 0 0 334.376 1.636 10 0 EDAERN CCCCNC(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865819 441296591 /nfs/dbraw/zinc/29/65/91/441296591.db2.gz HOQQMZXNYBVGSL-MRXNPFEDSA-N 0 0 335.496 1.459 10 0 EDAERN CCCNC(=O)[C@H](C)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866110 441296633 /nfs/dbraw/zinc/29/66/33/441296633.db2.gz BLGDHGSWEAVUPL-HNNXBMFYSA-N 0 0 335.496 1.670 10 0 EDAERN CCCCn1nc(C(=O)N2CCN(c3ccccn3)CC2)ccc1=O ZINC000048365856 441299632 /nfs/dbraw/zinc/29/96/32/441299632.db2.gz CPOQEPDVUPUHBD-UHFFFAOYSA-N 0 0 341.415 1.401 10 0 EDAERN C[C@@H]1CCCN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)C1 ZINC000105869463 441300471 /nfs/dbraw/zinc/30/04/71/441300471.db2.gz WNAADDCEMXDKAP-MRXNPFEDSA-N 0 0 333.480 1.186 10 0 EDAERN C[C@H](C(=O)N(C)C)N1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105917437 441316439 /nfs/dbraw/zinc/31/64/39/441316439.db2.gz FKJGUYZNLZIKQO-OAHLLOKOSA-N 0 0 342.443 1.936 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000105920605 441316549 /nfs/dbraw/zinc/31/65/49/441316549.db2.gz JQIGKOXTKQJLLL-HNNXBMFYSA-N 0 0 333.363 1.710 10 0 EDAERN C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1nnc2n1CCCCC2 ZINC000106903249 441386971 /nfs/dbraw/zinc/38/69/71/441386971.db2.gz HSWFZFHJOIJJLW-INIZCTEOSA-N 0 0 341.459 1.794 10 0 EDAERN COCc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000025793893 441356933 /nfs/dbraw/zinc/35/69/33/441356933.db2.gz XONYNSRPAHBDEU-KRWDZBQOSA-N 0 0 341.411 1.729 10 0 EDAERN CCOC(=O)C1CCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1 ZINC000083749832 441374136 /nfs/dbraw/zinc/37/41/36/441374136.db2.gz FIYCRQSCRJCUFT-CYBMUJFWSA-N 0 0 335.408 1.406 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000087250416 441484992 /nfs/dbraw/zinc/48/49/92/441484992.db2.gz BKTATJOJOGXFGN-ZIAGYGMSSA-N 0 0 347.394 1.847 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)C(=O)OC(C)C ZINC000087252193 441485329 /nfs/dbraw/zinc/48/53/29/441485329.db2.gz HMSBNTMWFKKHSJ-NWDGAFQWSA-N 0 0 337.424 1.562 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000088196495 441494700 /nfs/dbraw/zinc/49/47/00/441494700.db2.gz KSBLNYLEKKPWJC-DZGCQCFKSA-N 0 0 339.399 1.985 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(-n2cnnn2)c1 ZINC000088196794 441495784 /nfs/dbraw/zinc/49/57/84/441495784.db2.gz XNZMJNFQXFVAES-ZDUSSCGKSA-N 0 0 338.375 1.081 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)OCC(F)(F)F ZINC000088200048 441495855 /nfs/dbraw/zinc/49/58/55/441495855.db2.gz DRXINXVRKAHFEJ-MRVPVSSYSA-N 0 0 349.313 1.080 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(CCO)CC1 ZINC000075244655 441512218 /nfs/dbraw/zinc/51/22/18/441512218.db2.gz VBUQHCBWNJWDIO-LLVKDONJSA-N 0 0 347.242 1.897 10 0 EDAERN Cc1csc(CCNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 ZINC000031849166 441540428 /nfs/dbraw/zinc/54/04/28/441540428.db2.gz DIIMNVSZOMBFBX-NSHDSACASA-N 0 0 343.408 1.795 10 0 EDAERN Cc1ccc(C(=O)c2ccc(CC(=O)N3CCN(C)CC3)n2C)cc1 ZINC000033891345 441598450 /nfs/dbraw/zinc/59/84/50/441598450.db2.gz BMEDLKNPIHMCSO-UHFFFAOYSA-N 0 0 339.439 1.881 10 0 EDAERN CC(C)(C)OC(=O)N1CCN(c2cccc3ncc(CO)n32)CC1 ZINC000036220545 441606663 /nfs/dbraw/zinc/60/66/63/441606663.db2.gz QEPVTZKMCBYPKE-UHFFFAOYSA-N 0 0 332.404 1.884 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)Nc3cnn(C)c3)CC2)n1 ZINC000113532106 441614057 /nfs/dbraw/zinc/61/40/57/441614057.db2.gz FFMZTWOIBNPUEB-UHFFFAOYSA-N 0 0 345.407 1.271 10 0 EDAERN O=C(CN1CCCC[C@H]1c1cn[nH]c1)NC(=O)NCC(F)(F)F ZINC000114202445 441641830 /nfs/dbraw/zinc/64/18/30/441641830.db2.gz NRSVGKVVNZAZPY-JTQLQIEISA-N 0 0 333.314 1.325 10 0 EDAERN CC(=O)O[C@@H](CN1CCCC1=O)CN1CCN(c2ccccc2)CC1 ZINC000090760049 441642939 /nfs/dbraw/zinc/64/29/39/441642939.db2.gz RNKTUCHGXMXVSR-GOSISDBHSA-N 0 0 345.443 1.363 10 0 EDAERN O=C(CCNS(=O)(=O)c1cccs1)NC[C@@H]1CCCC[C@@H]1O ZINC000158280563 441717443 /nfs/dbraw/zinc/71/74/43/441717443.db2.gz SRMUTVVJHZKDKI-RYUDHWBXSA-N 0 0 346.474 1.084 10 0 EDAERN Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccccc3F)CCC(=O)N2C)cn1 ZINC000115203915 441717988 /nfs/dbraw/zinc/71/79/88/441717988.db2.gz NZKLAKTUJWOVHS-WMLDXEAASA-N 0 0 344.390 1.785 10 0 EDAERN Cc1csc(-c2cc(C(=O)NCc3ccncn3)nc(N)n2)n1 ZINC000114864919 441692983 /nfs/dbraw/zinc/69/29/83/441692983.db2.gz LGUCOSQKAHXLIO-UHFFFAOYSA-N 0 0 327.373 1.211 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)CC2 ZINC000114867285 441693831 /nfs/dbraw/zinc/69/38/31/441693831.db2.gz MFLHMTWZQKYGDI-MYODQAERSA-N 0 0 332.429 1.323 10 0 EDAERN COc1c(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c(C)nn1C ZINC000121454663 441709317 /nfs/dbraw/zinc/70/93/17/441709317.db2.gz ZBIBAJQJMOAREY-UHFFFAOYSA-N 0 0 346.479 1.405 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000114577083 441668145 /nfs/dbraw/zinc/66/81/45/441668145.db2.gz YPCIWODAZLMXDZ-ZDUSSCGKSA-N 0 0 342.465 1.318 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)n1 ZINC000173497756 441768738 /nfs/dbraw/zinc/76/87/38/441768738.db2.gz ILXTWZSIYOZSBE-QWHCGFSZSA-N 0 0 336.461 1.961 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](O)c2ccccc2)ncn1 ZINC000173419004 441744261 /nfs/dbraw/zinc/74/42/61/441744261.db2.gz VLZWWYTUAGNSRD-WMLDXEAASA-N 0 0 341.415 1.337 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CCC(=O)N(C)c1ccccc1 ZINC000158556138 441744765 /nfs/dbraw/zinc/74/47/65/441744765.db2.gz WVWBTSSHESGMCU-QHCPKHFHSA-N 0 0 335.433 1.556 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)CCN2C(=O)CCC2=O)no1 ZINC000173451961 441755400 /nfs/dbraw/zinc/75/54/00/441755400.db2.gz YPVPVEUWLIMJRA-LLVKDONJSA-N 0 0 334.376 1.396 10 0 EDAERN C[C@H](NS(=O)(=O)c1cccc(F)c1F)c1nnc2n1CCCC2 ZINC000121725753 441765801 /nfs/dbraw/zinc/76/58/01/441765801.db2.gz IBFXNHIFCFJTKM-VIFPVBQESA-N 0 0 342.371 1.932 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000173370538 441726396 /nfs/dbraw/zinc/72/63/96/441726396.db2.gz OYVLUOOGCZHESQ-STQMWFEESA-N 0 0 349.435 1.499 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)N(C)Cc3ccc(F)cc3)CCO2)[nH]1 ZINC000173660994 441818290 /nfs/dbraw/zinc/81/82/90/441818290.db2.gz KRKUMUCDFHLBLD-OAHLLOKOSA-N 0 0 347.394 1.284 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)COc3ccc(C)cc3C)CCO2)[nH]1 ZINC000173528843 441780937 /nfs/dbraw/zinc/78/09/37/441780937.db2.gz JUMPKHCDCJSNKE-OAHLLOKOSA-N 0 0 330.388 1.709 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CSCc3ccncc3)CCO2)[nH]1 ZINC000173539736 441783840 /nfs/dbraw/zinc/78/38/40/441783840.db2.gz QIPNJRYVFAPWOK-ZDUSSCGKSA-N 0 0 333.417 1.341 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000115955879 441788219 /nfs/dbraw/zinc/78/82/19/441788219.db2.gz CFKPMRCCBQWALA-CYBMUJFWSA-N 0 0 343.449 1.457 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)CCC(C)C)C2=O)n(C)n1 ZINC000173561402 441790925 /nfs/dbraw/zinc/79/09/25/441790925.db2.gz IHABMLAWUPCWAQ-AWEZNQCLSA-N 0 0 335.452 1.911 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)COCC(=O)NCc2cccnc2)o1 ZINC000068414499 441793498 /nfs/dbraw/zinc/79/34/98/441793498.db2.gz QUQBJXNADHHEJX-ZDUSSCGKSA-N 0 0 331.372 1.493 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)n1 ZINC000173587907 441799406 /nfs/dbraw/zinc/79/94/06/441799406.db2.gz VEXNKFWOGYMRGS-LSDHHAIUSA-N 0 0 336.505 1.793 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3csc(CC(C)C)n3)CCO2)[nH]1 ZINC000173603016 441802368 /nfs/dbraw/zinc/80/23/68/441802368.db2.gz UZZPQYHDSYTYGA-LBPRGKRZSA-N 0 0 335.433 1.982 10 0 EDAERN Cc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(C2CC2)n1 ZINC000116260987 441805590 /nfs/dbraw/zinc/80/55/90/441805590.db2.gz UBESSYHNASELPK-UHFFFAOYSA-N 0 0 336.403 1.427 10 0 EDAERN CCc1ccc(CCNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173891449 441857368 /nfs/dbraw/zinc/85/73/68/441857368.db2.gz UHVDXYQWTBVGDX-SFHVURJKSA-N 0 0 331.460 1.908 10 0 EDAERN CC(=O)N1CCCC[C@@H](Nc2nc(-c3ccncc3)cc(=O)n2C)C1 ZINC000139691325 441824801 /nfs/dbraw/zinc/82/48/01/441824801.db2.gz SCWRSKFQWYQHBY-OAHLLOKOSA-N 0 0 341.415 1.655 10 0 EDAERN CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116587393 441831302 /nfs/dbraw/zinc/83/13/02/441831302.db2.gz NPIYCRPVTFOGAK-CYBMUJFWSA-N 0 0 342.399 1.773 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116586423 441831823 /nfs/dbraw/zinc/83/18/23/441831823.db2.gz VASUIAQGOMBUJZ-CQSZACIVSA-N 0 0 326.400 1.937 10 0 EDAERN Cc1nccn1-c1cncc(N2CCO[C@@H](c3cnn(C)c3)C2)n1 ZINC000092920249 441840614 /nfs/dbraw/zinc/84/06/14/441840614.db2.gz BHWHITAFCMOLQO-CQSZACIVSA-N 0 0 325.376 1.282 10 0 EDAERN COCCOCc1cc(C(=O)NCCn2cc(C)cn2)ccc1F ZINC000173810115 441843297 /nfs/dbraw/zinc/84/32/97/441843297.db2.gz ZCXXOXFXNLBXCA-UHFFFAOYSA-N 0 0 335.379 1.924 10 0 EDAERN CCSc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccn1 ZINC000173877733 441854352 /nfs/dbraw/zinc/85/43/52/441854352.db2.gz FVDHCBVCSBQRQO-HIFRSBDPSA-N 0 0 335.473 1.986 10 0 EDAERN O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174034192 441880552 /nfs/dbraw/zinc/88/05/52/441880552.db2.gz BBCMZUUHGWENKT-OIISXLGYSA-N 0 0 339.457 1.941 10 0 EDAERN COc1ccc([C@@H]2NC(=O)[C@@H]3COCCN23)cc1Br ZINC000093884462 441897848 /nfs/dbraw/zinc/89/78/48/441897848.db2.gz ZULNLMSAWUAYOS-CMPLNLGQSA-N 0 0 327.178 1.287 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000150933405 441977333 /nfs/dbraw/zinc/97/73/33/441977333.db2.gz QPKCSGUMECYFBW-UONOGXRCSA-N 0 0 349.410 1.110 10 0 EDAERN O=Cc1cc2c(nccc2[N+](=O)[O-])n1S(=O)(=O)c1ccccc1 ZINC000095920005 441953334 /nfs/dbraw/zinc/95/33/34/441953334.db2.gz WSPVFJUCMSZNBV-UHFFFAOYSA-N 0 0 331.309 1.994 10 0 EDAERN COc1ccccc1C[C@H](C)N(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000175005631 441994479 /nfs/dbraw/zinc/99/44/79/441994479.db2.gz MJZUQPPOUKTOTH-HOTGVXAUSA-N 0 0 349.475 1.988 10 0 EDAERN O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1CCCC[C@@H]1CO ZINC000151095004 442004829 /nfs/dbraw/zinc/00/48/29/442004829.db2.gz WDKHVEZGUCVNOU-VXGBXAGGSA-N 0 0 331.376 1.127 10 0 EDAERN CO[C@@H](C)c1noc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000175188420 442014310 /nfs/dbraw/zinc/01/43/10/442014310.db2.gz ODSOYNRVOCKWSB-GOEBONIOSA-N 0 0 346.431 1.628 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc(F)ccc3O)CC2)no1 ZINC000175227323 442022337 /nfs/dbraw/zinc/02/23/37/442022337.db2.gz PTQGPYRNCMILSV-UHFFFAOYSA-N 0 0 334.351 1.571 10 0 EDAERN CCCCOCCCNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175294904 442035364 /nfs/dbraw/zinc/03/53/64/442035364.db2.gz CIMNBCPVNTXVNJ-CYBMUJFWSA-N 0 0 325.413 1.403 10 0 EDAERN Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000151371014 442048956 /nfs/dbraw/zinc/04/89/56/442048956.db2.gz DYEKPAHPJNQTPO-WBVHZDCISA-N 0 0 330.428 1.776 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)C2CCOCC2)C1 ZINC000151424380 442060083 /nfs/dbraw/zinc/06/00/83/442060083.db2.gz OJSUNQICMRFOEF-ZFWWWQNUSA-N 0 0 325.453 1.892 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)COc3ccccc3O)CCO2)n1 ZINC000151625668 442095355 /nfs/dbraw/zinc/09/53/55/442095355.db2.gz HBWLMRGFDJHIGG-OAHLLOKOSA-N 0 0 345.399 1.512 10 0 EDAERN Cn1cnnc1C1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000120441957 442073417 /nfs/dbraw/zinc/07/34/17/442073417.db2.gz RZQVWISWPRXUCL-AWEZNQCLSA-N 0 0 327.388 1.838 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000162223942 442076059 /nfs/dbraw/zinc/07/60/59/442076059.db2.gz MKUVZHAUSWZRFR-CHWSQXEVSA-N 0 0 325.430 1.955 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC(C)(C)c2ccc(F)c(F)c2)C1 ZINC000175506265 442077117 /nfs/dbraw/zinc/07/71/17/442077117.db2.gz IFGAOCGAOYKBPT-LBPRGKRZSA-N 0 0 327.375 1.830 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCC1(C)C ZINC000126283829 442095643 /nfs/dbraw/zinc/09/56/43/442095643.db2.gz IIRNDTLADGLBAG-SMDDNHRTSA-N 0 0 349.456 1.809 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cccn(CC(F)(F)F)c2=O)c1 ZINC000126558878 442122198 /nfs/dbraw/zinc/12/21/98/442122198.db2.gz XEMBHHRTORAZQD-UHFFFAOYSA-N 0 0 343.309 1.737 10 0 EDAERN Cc1noc(CCNC(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000175789501 442122765 /nfs/dbraw/zinc/12/27/65/442122765.db2.gz RDFPQDKBJCAWKO-VXGBXAGGSA-N 0 0 338.408 1.730 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCCN2CCCC2=O)C1 ZINC000151809757 442123220 /nfs/dbraw/zinc/12/32/20/442123220.db2.gz BOMFBPKDTCJOFU-HNNXBMFYSA-N 0 0 347.463 1.805 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCN2CCOCC2)C1 ZINC000151810479 442123936 /nfs/dbraw/zinc/12/39/36/442123936.db2.gz IDKHOMZYYOGBIE-OAHLLOKOSA-N 0 0 335.452 1.124 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000162880081 442129156 /nfs/dbraw/zinc/12/91/56/442129156.db2.gz LJNBTZXHRZZBCB-ZIAGYGMSSA-N 0 0 333.436 1.504 10 0 EDAERN CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1ccccc1C)CC2 ZINC000162950958 442133638 /nfs/dbraw/zinc/13/36/38/442133638.db2.gz SWDMNOKFHLQNLN-DYVFJYSZSA-N 0 0 328.416 1.968 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000151639099 442097759 /nfs/dbraw/zinc/09/77/59/442097759.db2.gz FAAUIWWGYIVGPM-UHFFFAOYSA-N 0 0 330.314 1.443 10 0 EDAERN C[C@@H]1CN(C(=O)NCCCOCC2CC2)C[C@@H]1N1CCOCC1 ZINC000175637898 442097794 /nfs/dbraw/zinc/09/77/94/442097794.db2.gz RADIDESIOMHHMJ-ZBFHGGJFSA-N 0 0 325.453 1.165 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1nc2ccccc2[nH]1 ZINC000175677381 442104505 /nfs/dbraw/zinc/10/45/05/442104505.db2.gz VELHZWXXYCCHHG-AWEZNQCLSA-N 0 0 339.403 1.840 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCCN1CCOC1=O ZINC000176119988 442178721 /nfs/dbraw/zinc/17/87/21/442178721.db2.gz CVNAQZWRIOEUOA-AWEZNQCLSA-N 0 0 335.408 1.208 10 0 EDAERN O=C(c1cccc(C(=O)N2CCOCC23CCC3)n1)N1CCCC1 ZINC000152224714 442184119 /nfs/dbraw/zinc/18/41/19/442184119.db2.gz CTTNGHNVYUOEPN-UHFFFAOYSA-N 0 0 329.400 1.713 10 0 EDAERN C[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCSCC1 ZINC000152266119 442190492 /nfs/dbraw/zinc/19/04/92/442190492.db2.gz ODLOGMUUAGCXMB-CYBMUJFWSA-N 0 0 335.477 1.317 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(CCO)cc1 ZINC000127343633 442194754 /nfs/dbraw/zinc/19/47/54/442194754.db2.gz JNLCWDWRPJEFFO-OAHLLOKOSA-N 0 0 340.445 1.364 10 0 EDAERN COCCN1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)C[C@@H]1C ZINC000152330604 442198299 /nfs/dbraw/zinc/19/82/99/442198299.db2.gz XEYSEWYSPLDSQQ-AWEZNQCLSA-N 0 0 347.419 1.021 10 0 EDAERN COCCN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000120912767 442151469 /nfs/dbraw/zinc/15/14/69/442151469.db2.gz FJHGUJWCRIWPQX-OLZOCXBDSA-N 0 0 338.354 1.386 10 0 EDAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H](Cn2cncn2)C1 ZINC000126903712 442153192 /nfs/dbraw/zinc/15/31/92/442153192.db2.gz KRQAWCPQRFNAJL-DRDHIDPGSA-N 0 0 340.383 1.959 10 0 EDAERN O=C(CCNC(=O)N[C@H]1CCCC[C@H]1CO)NC1CCCCC1 ZINC000175987639 442157593 /nfs/dbraw/zinc/15/75/93/442157593.db2.gz NJHWPIDDQUZDTE-ZFWWWQNUSA-N 0 0 325.453 1.676 10 0 EDAERN O=C(Nc1ccc(-c2nccs2)cc1)C(=O)N1CCC[C@H]1CO ZINC000121008071 442165105 /nfs/dbraw/zinc/16/51/05/442165105.db2.gz QPRLUXCNQWXYEH-ZDUSSCGKSA-N 0 0 331.397 1.732 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)C1 ZINC000152420103 442210989 /nfs/dbraw/zinc/21/09/89/442210989.db2.gz GAKPWYSKYDKREI-CYBMUJFWSA-N 0 0 329.404 1.360 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(OC)c1 ZINC000152449675 442214917 /nfs/dbraw/zinc/21/49/17/442214917.db2.gz IYPFKKZZNNLTGI-AWEZNQCLSA-N 0 0 345.403 1.767 10 0 EDAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC(=O)Nc1ccccc1 ZINC000152524154 442222419 /nfs/dbraw/zinc/22/24/19/442222419.db2.gz ZMCGPWKDAUHDNX-MRXNPFEDSA-N 0 0 340.383 1.883 10 0 EDAERN Cn1cc(CC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cn1 ZINC000176446789 442223125 /nfs/dbraw/zinc/22/31/25/442223125.db2.gz YEILCJLUCRNIIG-CQSZACIVSA-N 0 0 328.420 1.644 10 0 EDAERN COc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)c2ccccc12 ZINC000176443103 442223345 /nfs/dbraw/zinc/22/33/45/442223345.db2.gz NKOOIGZIHWIGDH-AWEZNQCLSA-N 0 0 344.411 1.271 10 0 EDAERN CC(C)C(=O)NCCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000152729918 442240309 /nfs/dbraw/zinc/24/03/09/442240309.db2.gz USIUQNFXLBZDIE-RHSMWYFYSA-N 0 0 325.453 1.485 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000171051660 442304407 /nfs/dbraw/zinc/30/44/07/442304407.db2.gz KNUYPTDEZUNVQC-SKDRFNHKSA-N 0 0 346.246 1.889 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCC(=O)NC ZINC000170797949 442265709 /nfs/dbraw/zinc/26/57/09/442265709.db2.gz ULDBOQSIASAJGN-CJNGLKHVSA-N 0 0 333.432 1.426 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)Cn2ccc(=O)n(C)c2=O)o1 ZINC000128432363 442266349 /nfs/dbraw/zinc/26/63/49/442266349.db2.gz DBQFUXSNYAUUJO-CQSZACIVSA-N 0 0 345.399 1.456 10 0 EDAERN CCc1nnc(CN2CCN(Cc3ccccc3OC)CC2)n1C ZINC000170817341 442268523 /nfs/dbraw/zinc/26/85/23/442268523.db2.gz YCACQQHSRBGSCA-UHFFFAOYSA-N 0 0 329.448 1.704 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000153224495 442269143 /nfs/dbraw/zinc/26/91/43/442269143.db2.gz COKXVDFEZYOMPF-ZFWWWQNUSA-N 0 0 343.431 1.578 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000177004096 442283541 /nfs/dbraw/zinc/28/35/41/442283541.db2.gz FMPIDMFBNNOKGG-VIFPVBQESA-N 0 0 346.334 1.817 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000128747435 442286109 /nfs/dbraw/zinc/28/61/09/442286109.db2.gz GRYCIBUVSAFHEP-CQSZACIVSA-N 0 0 345.451 1.779 10 0 EDAERN Cc1cc2occ(CC(=O)NC[C@H](O)CN3CCOCC3)c2cc1C ZINC000129039828 442299659 /nfs/dbraw/zinc/29/96/59/442299659.db2.gz NEJFNDXWQJYYML-INIZCTEOSA-N 0 0 346.427 1.401 10 0 EDAERN Cc1cccc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000177265023 442322387 /nfs/dbraw/zinc/32/23/87/442322387.db2.gz JNPLBJIWRCZFFA-MAUKXSAKSA-N 0 0 331.460 1.894 10 0 EDAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000177502237 442349996 /nfs/dbraw/zinc/34/99/96/442349996.db2.gz RNDZKSTXFYWKRP-ZDUSSCGKSA-N 0 0 341.375 1.452 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000154678624 442351260 /nfs/dbraw/zinc/35/12/60/442351260.db2.gz UEQFUCFBRXRJJV-STQMWFEESA-N 0 0 328.372 1.428 10 0 EDAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000154684169 442351692 /nfs/dbraw/zinc/35/16/92/442351692.db2.gz ZXKQBEXRNRVCLV-AAEUAGOBSA-N 0 0 329.408 1.129 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc(-c2cnn(C)c2)oc1C ZINC000177514067 442352073 /nfs/dbraw/zinc/35/20/73/442352073.db2.gz MPQDNLJXXFTVQN-LBPRGKRZSA-N 0 0 341.375 1.548 10 0 EDAERN CN(Cc1nc[nH]n1)C[C@H](O)COc1cccc(Br)c1 ZINC000177154776 442306596 /nfs/dbraw/zinc/30/65/96/442306596.db2.gz ADMOEQXZKQFMDC-NSHDSACASA-N 0 0 341.209 1.439 10 0 EDAERN Cn1ccnc1-c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000177181566 442310870 /nfs/dbraw/zinc/31/08/70/442310870.db2.gz LXDYWEODHJBRDJ-LSDHHAIUSA-N 0 0 342.399 1.445 10 0 EDAERN C[C@@H]1CN(CCS(=O)(=O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177221761 442315156 /nfs/dbraw/zinc/31/51/56/442315156.db2.gz BCCDAZNQPJQCNM-WBVHZDCISA-N 0 0 338.473 1.113 10 0 EDAERN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177224128 442315860 /nfs/dbraw/zinc/31/58/60/442315860.db2.gz AEPBTHZSIDZHPJ-CJNGLKHVSA-N 0 0 337.851 1.931 10 0 EDAERN O=C(Nc1cccc2ccccc21)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626894 442364440 /nfs/dbraw/zinc/36/44/40/442364440.db2.gz ZPZPTVXGLKWQJB-CYBMUJFWSA-N 0 0 335.367 1.501 10 0 EDAERN CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633278 442365064 /nfs/dbraw/zinc/36/50/64/442365064.db2.gz OLFIBRCOBZQQKD-LBPRGKRZSA-N 0 0 343.387 1.135 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000177651552 442367050 /nfs/dbraw/zinc/36/70/50/442367050.db2.gz TZAYYDAQBGQKGJ-ZDUSSCGKSA-N 0 0 346.362 1.197 10 0 EDAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177732187 442377292 /nfs/dbraw/zinc/37/72/92/442377292.db2.gz BIKVZBSTIKLCFX-LSDHHAIUSA-N 0 0 342.399 1.516 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CCO2)c1 ZINC000131755832 442379739 /nfs/dbraw/zinc/37/97/39/442379739.db2.gz YZIHNGDUHFMYLH-DOMZBBRYSA-N 0 0 331.420 1.563 10 0 EDAERN Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)nnn1-c1ccccc1Cl ZINC000171535921 442355391 /nfs/dbraw/zinc/35/53/91/442355391.db2.gz IMEBHRJQBLOGPS-GFCCVEGCSA-N 0 0 349.822 1.290 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000177562459 442357695 /nfs/dbraw/zinc/35/76/95/442357695.db2.gz YLWLSXXPXCXZCZ-CQSZACIVSA-N 0 0 325.372 1.892 10 0 EDAERN O=C(NCCc1cc(F)ccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000177584446 442359798 /nfs/dbraw/zinc/35/97/98/442359798.db2.gz NUDBZTTUIFXUQA-OAHLLOKOSA-N 0 0 339.386 1.623 10 0 EDAERN O=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCCn2ncnc21 ZINC000177602036 442360914 /nfs/dbraw/zinc/36/09/14/442360914.db2.gz OOEVOKIMCKJTLQ-ZDUSSCGKSA-N 0 0 340.412 1.990 10 0 EDAERN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171619842 442362812 /nfs/dbraw/zinc/36/28/12/442362812.db2.gz ANAQDDFZMQQKPD-IXDOHACOSA-N 0 0 349.479 1.627 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)ccc2C)CCN1C[C@@H](C)O ZINC000177616741 442363464 /nfs/dbraw/zinc/36/34/64/442363464.db2.gz QWXCTMHLHFCCHF-HZPDHXFCSA-N 0 0 347.459 1.546 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)COCC(C)C)CC2)n1 ZINC000171624625 442363593 /nfs/dbraw/zinc/36/35/93/442363593.db2.gz MCAHPBUVNJCPHK-UKRRQHHQSA-N 0 0 326.441 1.090 10 0 EDAERN CCOc1ccnc(N2CCN(C[C@@H](O)COCC(C)C)CC2)n1 ZINC000171624788 442363691 /nfs/dbraw/zinc/36/36/91/442363691.db2.gz QGRYHPYMTGBUNV-OAHLLOKOSA-N 0 0 338.452 1.031 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)COc2c(C)cccc2C)n1 ZINC000155532492 442406242 /nfs/dbraw/zinc/40/62/42/442406242.db2.gz LDQIPCLCLBAXBE-AWEZNQCLSA-N 0 0 331.372 1.974 10 0 EDAERN CC(C)[C@H](C)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000172234514 442427005 /nfs/dbraw/zinc/42/70/05/442427005.db2.gz RPAGPIIMBCNEPG-IRXDYDNUSA-N 0 0 334.460 1.863 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C(N)=O)cc1)CC2 ZINC000172263064 442432474 /nfs/dbraw/zinc/43/24/74/442432474.db2.gz NRTQQUJQNDTWQH-LBPRGKRZSA-N 0 0 328.376 1.076 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCN([C@H](C)c2cccnc2)CC1)C(C)C ZINC000178427847 442433316 /nfs/dbraw/zinc/43/33/16/442433316.db2.gz VSOACXUEYABYCJ-GDBMZVCRSA-N 0 0 347.463 1.240 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Nc3nc4c(s3)COCC4)C2)cn1 ZINC000172259004 442431610 /nfs/dbraw/zinc/43/16/10/442431610.db2.gz XBCDTPHJQDZANF-JTQLQIEISA-N 0 0 333.417 1.971 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000133835268 442436339 /nfs/dbraw/zinc/43/63/39/442436339.db2.gz WOBXGEBWZVRDPO-KRWDZBQOSA-N 0 0 328.416 1.209 10 0 EDAERN CN1CCCc2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3CO)cc21 ZINC000134063662 442448540 /nfs/dbraw/zinc/44/85/40/442448540.db2.gz JXUIKXLOKZZPAK-GDBMZVCRSA-N 0 0 338.473 1.898 10 0 EDAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000172557596 442489859 /nfs/dbraw/zinc/48/98/59/442489859.db2.gz KIPXQPIOAAARBM-ZDUSSCGKSA-N 0 0 333.436 1.320 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)C(C3CC3)C3CC3)C2=O)n(C)n1 ZINC000178832589 442498625 /nfs/dbraw/zinc/49/86/25/442498625.db2.gz JBUMCRDSPAHNQU-AWEZNQCLSA-N 0 0 330.432 1.776 10 0 EDAERN CN1CCO[C@H](CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000179764081 442500141 /nfs/dbraw/zinc/50/01/41/442500141.db2.gz BDMJTYHRPYZXSO-KGLIPLIRSA-N 0 0 347.242 1.864 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCOC[C@@H]3CCCO3)CCO2)cn1 ZINC000191730786 442500564 /nfs/dbraw/zinc/50/05/64/442500564.db2.gz CREFPAFMLHMVND-HOTGVXAUSA-N 0 0 337.420 1.389 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)C(C)C ZINC000178847036 442501538 /nfs/dbraw/zinc/50/15/38/442501538.db2.gz QYRNXNGCJAJWOV-GXTWGEPZSA-N 0 0 325.453 1.300 10 0 EDAERN C[C@H]1CN(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)CCS1 ZINC000179784188 442503170 /nfs/dbraw/zinc/50/31/70/442503170.db2.gz OBHHBWCQMJMIOB-GXTWGEPZSA-N 0 0 342.486 1.919 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCCCCNC(C)=O)CCO2)cn1 ZINC000191758273 442506211 /nfs/dbraw/zinc/50/62/11/442506211.db2.gz TVHJKJZHFCLTCM-MRXNPFEDSA-N 0 0 336.436 1.499 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000186152392 442473730 /nfs/dbraw/zinc/47/37/30/442473730.db2.gz PVLUNZMNHQKLAQ-ZDUSSCGKSA-N 0 0 332.408 1.101 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)Nc2cccn(C)c2=O)[C@@H]1c1ccc(F)cc1 ZINC000134392946 442477308 /nfs/dbraw/zinc/47/73/08/442477308.db2.gz BFHOMZDDUCOYIA-CJNGLKHVSA-N 0 0 343.358 1.683 10 0 EDAERN CSCCCCCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000186177996 442478639 /nfs/dbraw/zinc/47/86/39/442478639.db2.gz SUISENOEIQCBKU-CABCVRRESA-N 0 0 329.510 1.882 10 0 EDAERN CC[C@@H](COC)NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000172530021 442482167 /nfs/dbraw/zinc/48/21/67/442482167.db2.gz PVWMKZLFVYOLPQ-WCQYABFASA-N 0 0 326.418 1.629 10 0 EDAERN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172753010 442534079 /nfs/dbraw/zinc/53/40/79/442534079.db2.gz UFSDXGCRBPGRLW-ZDUSSCGKSA-N 0 0 343.383 1.182 10 0 EDAERN O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172751323 442534249 /nfs/dbraw/zinc/53/42/49/442534249.db2.gz KKPAKPRDJGCTNE-OAHLLOKOSA-N 0 0 326.400 1.623 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)C(C)C ZINC000178951335 442535501 /nfs/dbraw/zinc/53/55/01/442535501.db2.gz FHHNEOUPQIADNK-CQSZACIVSA-N 0 0 334.420 1.589 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2cccnc2)CC1 ZINC000191903923 442537983 /nfs/dbraw/zinc/53/79/83/442537983.db2.gz KGEVSGMDTPEIQJ-UHFFFAOYSA-N 0 0 347.459 1.889 10 0 EDAERN O=C(c1ccccc1N1CCOCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172768268 442539384 /nfs/dbraw/zinc/53/93/84/442539384.db2.gz AKDUDAUGAXKUAF-MRXNPFEDSA-N 0 0 345.443 1.070 10 0 EDAERN O=C(CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000134830032 442526635 /nfs/dbraw/zinc/52/66/35/442526635.db2.gz KIAOELMFAGDYTJ-OAHLLOKOSA-N 0 0 347.390 1.851 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3CC(c4cccnc4)=NO3)C2)cn1 ZINC000191864814 442528130 /nfs/dbraw/zinc/52/81/30/442528130.db2.gz DFGOJOSGLBWILA-XJKSGUPXSA-N 0 0 325.372 1.324 10 0 EDAERN O=C(c1c(Cl)nc2ccccn21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747049 442531947 /nfs/dbraw/zinc/53/19/47/442531947.db2.gz CRMMZDAETWKQRF-GFCCVEGCSA-N 0 0 334.807 1.534 10 0 EDAERN CC(=O)N1CCOC[C@@H]1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000135233455 442570738 /nfs/dbraw/zinc/57/07/38/442570738.db2.gz RYSXRFMOPRLMJH-OAHLLOKOSA-N 0 0 336.819 1.735 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(-n2cccn2)ccn1 ZINC000135265261 442574325 /nfs/dbraw/zinc/57/43/25/442574325.db2.gz HAEBEBOZRBHBJA-AWEZNQCLSA-N 0 0 349.398 1.456 10 0 EDAERN O=C(Cc1n[nH]c2ccccc12)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135284938 442575037 /nfs/dbraw/zinc/57/50/37/442575037.db2.gz NFTKGXXOMXBTHV-ZDUSSCGKSA-N 0 0 336.399 1.681 10 0 EDAERN CC(=O)NC1(C(=O)N[C@@H](C)c2nnc3n2CCCC3)CCCCC1 ZINC000135367680 442586137 /nfs/dbraw/zinc/58/61/37/442586137.db2.gz YSXQWXAEKLHKMH-LBPRGKRZSA-N 0 0 333.436 1.631 10 0 EDAERN O=C(Nc1ccsc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000157515296 442590738 /nfs/dbraw/zinc/59/07/38/442590738.db2.gz FWADPWYIHAUUGX-UHFFFAOYSA-N 0 0 329.389 1.540 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000180381750 442591113 /nfs/dbraw/zinc/59/11/13/442591113.db2.gz XYCWQDDLPRUEJD-GFCCVEGCSA-N 0 0 346.435 1.424 10 0 EDAERN C[C@@H](CNC(=O)N(C)[C@@H]1CCCc2c1cnn2C)N1CCOCC1 ZINC000157558546 442591927 /nfs/dbraw/zinc/59/19/27/442591927.db2.gz HRGWZKXHIQHTQR-DZGCQCFKSA-N 0 0 335.452 1.160 10 0 EDAERN O=C(c1cccc(-n2cccn2)n1)N1CCC(Nc2cccnn2)CC1 ZINC000135462048 442599535 /nfs/dbraw/zinc/59/95/35/442599535.db2.gz JFLYXZWQIOVQHI-UHFFFAOYSA-N 0 0 349.398 1.774 10 0 EDAERN CC(C)[C@H](NC(=O)NCc1nnc(-c2ccccc2)s1)C(N)=O ZINC000135475753 442600315 /nfs/dbraw/zinc/60/03/15/442600315.db2.gz NIWSMPAJNBTTTC-LBPRGKRZSA-N 0 0 333.417 1.514 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2CO)ccc1F ZINC000179250854 442605487 /nfs/dbraw/zinc/60/54/87/442605487.db2.gz NPCPZHFFQURDSJ-YPMHNXCESA-N 0 0 344.408 1.015 10 0 EDAERN CC1=C(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)[C@@H](C)n2ncnc2N1C ZINC000192166129 442606560 /nfs/dbraw/zinc/60/65/60/442606560.db2.gz HRRTXDHTHJWOPR-HZSPNIEDSA-N 0 0 331.420 1.733 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cc3cc(F)ccc3OC)CCO2)[nH]1 ZINC000186556427 442560823 /nfs/dbraw/zinc/56/08/23/442560823.db2.gz QYJXVAGSRIYVFH-AWEZNQCLSA-N 0 0 348.378 1.657 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000186580342 442565577 /nfs/dbraw/zinc/56/55/77/442565577.db2.gz NBLVGZHDKBIMLC-LBPRGKRZSA-N 0 0 342.399 1.821 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000180256169 442567448 /nfs/dbraw/zinc/56/74/48/442567448.db2.gz QNCNSEJTXYKFQY-HOCLYGCPSA-N 0 0 331.416 1.113 10 0 EDAERN COc1ccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)c(Cl)c1 ZINC000135846582 442637284 /nfs/dbraw/zinc/63/72/84/442637284.db2.gz GTXXWRANNIMIAC-LBPRGKRZSA-N 0 0 349.822 1.797 10 0 EDAERN CS(=O)(=O)c1csc(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000179393193 442640063 /nfs/dbraw/zinc/64/00/63/442640063.db2.gz UDQWVOLMLJLBNO-NSHDSACASA-N 0 0 328.459 1.462 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000187024124 442647202 /nfs/dbraw/zinc/64/72/02/442647202.db2.gz WXIDLRKZPVFUKY-LBPRGKRZSA-N 0 0 339.355 1.676 10 0 EDAERN C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1ccc2ccccc2c1 ZINC000136114545 442650837 /nfs/dbraw/zinc/65/08/37/442650837.db2.gz VTHAWPIFLBLWPM-ZDUSSCGKSA-N 0 0 339.395 1.988 10 0 EDAERN CCc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)ccc1C ZINC000180495828 442612793 /nfs/dbraw/zinc/61/27/93/442612793.db2.gz GCSLRFSBIWXHII-CQSZACIVSA-N 0 0 333.432 1.333 10 0 EDAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000135579111 442613589 /nfs/dbraw/zinc/61/35/89/442613589.db2.gz QHNJBHKUFCMMQK-BBRMVZONSA-N 0 0 339.457 1.933 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@@H](C)CN1CCCC1=O ZINC000173166089 442615293 /nfs/dbraw/zinc/61/52/93/442615293.db2.gz AZFFSVNKLPSZOZ-LSDHHAIUSA-N 0 0 333.432 1.902 10 0 EDAERN CCOC(=O)C1(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CCC1 ZINC000179299670 442616150 /nfs/dbraw/zinc/61/61/50/442616150.db2.gz OCIXZYSJNOIXGI-GFCCVEGCSA-N 0 0 334.420 1.566 10 0 EDAERN COc1ncnc(N(C)C)c1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000180542882 442619992 /nfs/dbraw/zinc/61/99/92/442619992.db2.gz PUGHAWRCVKNKHC-GFCCVEGCSA-N 0 0 345.407 1.444 10 0 EDAERN COc1cc(F)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1F ZINC000157852683 442620470 /nfs/dbraw/zinc/62/04/70/442620470.db2.gz MUKJAZOYCFHXBQ-SKDRFNHKSA-N 0 0 342.342 1.579 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)o1 ZINC000173190191 442620903 /nfs/dbraw/zinc/62/09/03/442620903.db2.gz RJIBSJXPOPTGFI-LBPRGKRZSA-N 0 0 333.388 1.972 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)NCCOC(C)C)CC2)n1 ZINC000186872778 442623936 /nfs/dbraw/zinc/62/39/36/442623936.db2.gz MBNYSUGIOPOOIC-CYBMUJFWSA-N 0 0 339.440 1.445 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000180584701 442627890 /nfs/dbraw/zinc/62/78/90/442627890.db2.gz RXOJFLPUPMSZRQ-LLVKDONJSA-N 0 0 345.403 1.837 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2ccncc2OC)CC1 ZINC000187504887 442679224 /nfs/dbraw/zinc/67/92/24/442679224.db2.gz MBSKYBVLIJZVIK-UONOGXRCSA-N 0 0 336.436 1.249 10 0 EDAERN Cc1cnccc1CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000187782895 442692181 /nfs/dbraw/zinc/69/21/81/442692181.db2.gz UWXFAWUIRDKQGA-CQSZACIVSA-N 0 0 328.420 1.919 10 0 EDAERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000181394132 442694546 /nfs/dbraw/zinc/69/45/46/442694546.db2.gz LSEHJYYVAIWSMV-DOMZBBRYSA-N 0 0 329.400 1.820 10 0 EDAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000187920759 442697849 /nfs/dbraw/zinc/69/78/49/442697849.db2.gz CIHPDHYLISULKX-TZMCWYRMSA-N 0 0 335.452 1.750 10 0 EDAERN COC1(CNC(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)CCC1 ZINC000181519909 442701390 /nfs/dbraw/zinc/70/13/90/442701390.db2.gz DPSDPSABZLKCLR-UHFFFAOYSA-N 0 0 349.479 1.433 10 0 EDAERN CCc1cnc(CCNC(=O)N2CCN(C[C@@H](O)CC)CC2)s1 ZINC000181865406 442719544 /nfs/dbraw/zinc/71/95/44/442719544.db2.gz FCGBRQWTMHCWKF-ZDUSSCGKSA-N 0 0 340.493 1.346 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@H]3CCC(C)(C)O3)CCO2)[nH]1 ZINC000188225485 442726614 /nfs/dbraw/zinc/72/66/14/442726614.db2.gz HJNJETSOSXQQAO-NEPJUHHUSA-N 0 0 337.424 1.408 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000193364350 442735955 /nfs/dbraw/zinc/73/59/55/442735955.db2.gz KWUUQRQEWONBFU-YOEHRIQHSA-N 0 0 338.379 1.770 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)Nc1ccsc1)CC2 ZINC000188303336 442736249 /nfs/dbraw/zinc/73/62/49/442736249.db2.gz JPRRZKQWDFBCIB-SNVBAGLBSA-N 0 0 333.417 1.533 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000193378946 442737670 /nfs/dbraw/zinc/73/76/70/442737670.db2.gz ZARUMEWQSYUXJD-ZFWWWQNUSA-N 0 0 326.441 1.234 10 0 EDAERN CCO[C@@H](CCNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)C1CCCC1 ZINC000193425363 442741741 /nfs/dbraw/zinc/74/17/41/442741741.db2.gz GBMMJMUOMRXYIY-OAGGEKHMSA-N 0 0 326.437 1.070 10 0 EDAERN COCc1noc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000182187628 442743584 /nfs/dbraw/zinc/74/35/84/442743584.db2.gz CQJQHXVNVVHWKP-GFCCVEGCSA-N 0 0 332.408 1.871 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CCC(C)(O)CC1 ZINC000188393918 442746375 /nfs/dbraw/zinc/74/63/75/442746375.db2.gz MUFRKKMNLIHABN-NWDGAFQWSA-N 0 0 330.400 1.707 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@@H]1CC ZINC000193472076 442746648 /nfs/dbraw/zinc/74/66/48/442746648.db2.gz BBTWNFFROQWJQR-HNNXBMFYSA-N 0 0 348.447 1.288 10 0 EDAERN COc1ccc(F)c(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1OC ZINC000188438356 442750120 /nfs/dbraw/zinc/75/01/20/442750120.db2.gz CPJOPFNNHTULKL-LBPRGKRZSA-N 0 0 349.362 1.581 10 0 EDAERN Cn1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)c(-c2cccs2)n1 ZINC000188478052 442754580 /nfs/dbraw/zinc/75/45/80/442754580.db2.gz SGCIARMHJBUYNK-UHFFFAOYSA-N 0 0 344.440 1.889 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000188485821 442755526 /nfs/dbraw/zinc/75/55/26/442755526.db2.gz JXJFFQVWDIQMRN-UKRRQHHQSA-N 0 0 340.807 1.159 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000188101670 442711736 /nfs/dbraw/zinc/71/17/36/442711736.db2.gz NBERTWRCDHQGCF-LLVKDONJSA-N 0 0 330.388 1.321 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCc3ccccc32)CC1 ZINC000181742675 442713860 /nfs/dbraw/zinc/71/38/60/442713860.db2.gz LIWGGNUHEMIMKD-IAGOWNOFSA-N 0 0 331.460 1.815 10 0 EDAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000246521720 442789160 /nfs/dbraw/zinc/78/91/60/442789160.db2.gz JAPYASMKBJERAF-AGIUHOORSA-N 0 0 327.450 1.190 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)C2CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000182389982 442762733 /nfs/dbraw/zinc/76/27/33/442762733.db2.gz RKWXYSJOSGYJRB-CQSZACIVSA-N 0 0 334.420 1.951 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cn(C(C)(C)C)nc3C)CCO2)[nH]1 ZINC000182482411 442774074 /nfs/dbraw/zinc/77/40/74/442774074.db2.gz GRQLFZCVTNSGJQ-CYBMUJFWSA-N 0 0 346.435 1.841 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cn2ccnc2s1 ZINC000188667093 442783648 /nfs/dbraw/zinc/78/36/48/442783648.db2.gz HPCNVTPKCTVTEK-SECBINFHSA-N 0 0 332.389 1.399 10 0 EDAERN CCc1ccc([C@H](COC)NC(=O)N2CC(NC(=O)C3CCC3)C2)o1 ZINC000188871040 442832607 /nfs/dbraw/zinc/83/26/07/442832607.db2.gz KLLDWZVZKPQCJR-HNNXBMFYSA-N 0 0 349.431 1.840 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)c2ncc(C)s2)C[C@@H]1C ZINC000247007425 442827969 /nfs/dbraw/zinc/82/79/69/442827969.db2.gz LHGNNDSJWDCXHQ-WCQYABFASA-N 0 0 326.466 1.875 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccn3ccnc3c2)C1)C1CCC1 ZINC000188898742 442838887 /nfs/dbraw/zinc/83/88/87/442838887.db2.gz LMAPGVIUIHPVMR-UHFFFAOYSA-N 0 0 327.388 1.144 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000247255396 442844626 /nfs/dbraw/zinc/84/46/26/442844626.db2.gz ZKVMOTQIMWESFT-PPWXJAPKSA-N 0 0 336.457 1.217 10 0 EDAERN CC(=O)c1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)ccc1C ZINC000194220368 442863198 /nfs/dbraw/zinc/86/31/98/442863198.db2.gz ZUDVKHVYHFLOEW-HNNXBMFYSA-N 0 0 328.372 1.838 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cccc(N3CCOC3=O)c2)c1 ZINC000172217050 318437783 /nfs/dbraw/zinc/43/77/83/318437783.db2.gz WMKZWQABEBQWAD-UHFFFAOYSA-N 0 0 329.360 1.970 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)c2ncc(C)s2)CC1 ZINC000183197755 442900850 /nfs/dbraw/zinc/90/08/50/442900850.db2.gz DPSURWFSMIQONT-OCCSQVGLSA-N 0 0 340.493 1.653 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000189244062 442904046 /nfs/dbraw/zinc/90/40/46/442904046.db2.gz UTAFURRPOPKHPP-TVQRCGJNSA-N 0 0 337.326 1.195 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)CC1CCOCC1)CC2 ZINC000181753570 318489009 /nfs/dbraw/zinc/48/90/09/318489009.db2.gz RSZXJLGMSMDQRL-AWEZNQCLSA-N 0 0 335.452 1.784 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1c(F)cccc1Br ZINC000189244287 442904482 /nfs/dbraw/zinc/90/44/82/442904482.db2.gz QOKXHABAUOECQN-QMMMGPOBSA-N 0 0 329.169 1.939 10 0 EDAERN CCCCOC[C@H](O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000248656550 442913968 /nfs/dbraw/zinc/91/39/68/442913968.db2.gz RQNWISFAXINNJX-IAGOWNOFSA-N 0 0 325.453 1.378 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000189328993 442922071 /nfs/dbraw/zinc/92/20/71/442922071.db2.gz BEHOQFPOJOBWJJ-YPMHNXCESA-N 0 0 346.349 1.656 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H]1CN(C)CCO1)C(C)C ZINC000194617500 442924444 /nfs/dbraw/zinc/92/44/44/442924444.db2.gz SMZWTURSMQWHKJ-DOTOQJQBSA-N 0 0 347.459 1.196 10 0 EDAERN COC(=O)CC1(CC(=O)N2CCC[C@@H](n3cncn3)C2)CCCC1 ZINC000189340475 442924845 /nfs/dbraw/zinc/92/48/45/442924845.db2.gz BDZBEPCFEZTYFT-CQSZACIVSA-N 0 0 334.420 1.955 10 0 EDAERN CCCOc1ccc(CNC(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189339209 442924935 /nfs/dbraw/zinc/92/49/35/442924935.db2.gz IYVMWVDQKHZOIL-CQSZACIVSA-N 0 0 333.432 1.302 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCc1nnc(C(C)C)n1C)C(C)C ZINC000183496417 442935918 /nfs/dbraw/zinc/93/59/18/442935918.db2.gz SACPBVDHQJWLDH-HNNXBMFYSA-N 0 0 337.468 1.742 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1)C1CC1 ZINC000189450614 442956573 /nfs/dbraw/zinc/95/65/73/442956573.db2.gz NONWJYVRQJYIKZ-OAHLLOKOSA-N 0 0 331.347 1.056 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2ccccc2F)n1 ZINC000183745188 442958616 /nfs/dbraw/zinc/95/86/16/442958616.db2.gz RTMFRFMYDMWQRU-ZDUSSCGKSA-N 0 0 341.364 1.420 10 0 EDAERN CCOc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1OCC ZINC000189456727 442959261 /nfs/dbraw/zinc/95/92/61/442959261.db2.gz JPYBYTNSTIBNER-UHFFFAOYSA-N 0 0 332.400 1.835 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1)C1CC1 ZINC000189460850 442960742 /nfs/dbraw/zinc/96/07/42/442960742.db2.gz RFVXWLVYCUDQOC-UHFFFAOYSA-N 0 0 337.379 1.596 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)COc2ccc(F)cc2F)n1 ZINC000183764336 442961044 /nfs/dbraw/zinc/96/10/44/442961044.db2.gz NZMZURGLFIWFRA-LBPRGKRZSA-N 0 0 339.298 1.635 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000189475610 442963184 /nfs/dbraw/zinc/96/31/84/442963184.db2.gz WREVUNZTBKCBBZ-MRXNPFEDSA-N 0 0 347.459 1.493 10 0 EDAERN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CC(NC(=O)C2CC2)C1 ZINC000189477757 442963942 /nfs/dbraw/zinc/96/39/42/442963942.db2.gz BLPSTNCHAKAHND-CQSZACIVSA-N 0 0 341.411 1.315 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000183888814 442972904 /nfs/dbraw/zinc/97/29/04/442972904.db2.gz HHBVDWGJSRKQAB-LBPRGKRZSA-N 0 0 331.463 1.493 10 0 EDAERN CC(=O)NCCc1ccc(S(=O)(=O)NCC2CCOCC2)s1 ZINC000195011403 442976069 /nfs/dbraw/zinc/97/60/69/442976069.db2.gz NVNTYODOYOOVPR-UHFFFAOYSA-N 0 0 346.474 1.132 10 0 EDAERN C[C@@H]1CN(C(=O)NCCC[C@@H]2CCCCO2)C[C@H]1N1CCOCC1 ZINC000184376341 443015873 /nfs/dbraw/zinc/01/58/73/443015873.db2.gz OWQIREUHVVFRFX-IXDOHACOSA-N 0 0 339.480 1.698 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCCc1cccc(C(=O)NC)c1 ZINC000184434506 443020349 /nfs/dbraw/zinc/02/03/49/443020349.db2.gz UOMCFEVQPKNLOY-KRWDZBQOSA-N 0 0 347.459 1.206 10 0 EDAERN Cc1c(-c2cc(CN3CCO[C@@H](Cn4cccn4)C3)on2)cnn1C ZINC000184527599 443034747 /nfs/dbraw/zinc/03/47/47/443034747.db2.gz RVYXZECVMCGZEY-OAHLLOKOSA-N 0 0 342.403 1.481 10 0 EDAERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000184560878 443040041 /nfs/dbraw/zinc/04/00/41/443040041.db2.gz VWMLHGNDFPVAPJ-IUODEOHRSA-N 0 0 338.835 1.996 10 0 EDAERN O=C(Cc1cccnc1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000223330386 443088110 /nfs/dbraw/zinc/08/81/10/443088110.db2.gz KJNLZAQPVLRQNL-HXUWFJFHSA-N 0 0 348.406 1.945 10 0 EDAERN COCCC(C)(C)CNC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000190153981 443064602 /nfs/dbraw/zinc/06/46/02/443064602.db2.gz PBIOQZCIZHWVHK-QWHCGFSZSA-N 0 0 340.424 1.912 10 0 EDAERN CC(C)(C)C[C@H]1CN(CN2CCO[C@H](Cn3cccn3)C2)C(=O)O1 ZINC000190260608 443078549 /nfs/dbraw/zinc/07/85/49/443078549.db2.gz BJDZQICVHSRAET-GJZGRUSLSA-N 0 0 336.436 1.798 10 0 EDAERN CC(C)[C@@H](C)CNC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000190280776 443080014 /nfs/dbraw/zinc/08/00/14/443080014.db2.gz PWFWFTFPYCONFX-GXTWGEPZSA-N 0 0 342.465 1.193 10 0 EDAERN COCC(=O)NC1CN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC000185088536 443133953 /nfs/dbraw/zinc/13/39/53/443133953.db2.gz OLZHWYRJUCHULE-INIZCTEOSA-N 0 0 344.411 1.026 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2csnn2)CC1 ZINC000190588392 443143704 /nfs/dbraw/zinc/14/37/04/443143704.db2.gz NAZBFMXVXPQTNK-UHFFFAOYSA-N 0 0 326.466 1.776 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000190474138 443115764 /nfs/dbraw/zinc/11/57/64/443115764.db2.gz VERLGWQAFUEFLG-UHFFFAOYSA-N 0 0 327.340 1.492 10 0 EDAERN COC[C@@H]1C[N@H+](Cc2ccc(Br)o2)C[C@H]1C(=O)N(C)C ZINC000257187467 443119754 /nfs/dbraw/zinc/11/97/54/443119754.db2.gz LSRNGNRTTGPUPR-CMPLNLGQSA-N 0 0 345.237 1.825 10 0 EDAERN Cc1csc([C@@H]2CN(Cc3nnnn3CC(F)(F)F)CCO2)n1 ZINC000190849982 443196390 /nfs/dbraw/zinc/19/63/90/443196390.db2.gz NLWDYKSJRMXSSA-VIFPVBQESA-N 0 0 348.354 1.574 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185260531 443171953 /nfs/dbraw/zinc/17/19/53/443171953.db2.gz ZLPMVVPWUZHINR-UHFFFAOYSA-N 0 0 330.306 1.221 10 0 EDAERN COc1cc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)ccc1F ZINC000190761653 443178905 /nfs/dbraw/zinc/17/89/05/443178905.db2.gz QWGRBBZHWIQNCF-LBPRGKRZSA-N 0 0 340.380 1.548 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000185156484 443149965 /nfs/dbraw/zinc/14/99/65/443149965.db2.gz QRNUSXCJSQQAGC-HTQZYQBOSA-N 0 0 344.165 1.020 10 0 EDAERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185187938 443157381 /nfs/dbraw/zinc/15/73/81/443157381.db2.gz VGGGLADPCGGYQD-VXGBXAGGSA-N 0 0 347.242 1.379 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccccc1Br ZINC000190992724 443221701 /nfs/dbraw/zinc/22/17/01/443221701.db2.gz NBYRICPNGWITHR-SECBINFHSA-N 0 0 347.234 1.348 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCCCSC)CC2 ZINC000185440508 443200084 /nfs/dbraw/zinc/20/00/84/443200084.db2.gz FGPIFLCPXFCWBW-GFCCVEGCSA-N 0 0 325.482 1.988 10 0 EDAERN CC(C)(C(=O)N1CCC(OCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000384013586 319125817 /nfs/dbraw/zinc/12/58/17/319125817.db2.gz MXIIBNUDKMBHHR-UHFFFAOYSA-N 0 0 345.487 1.878 10 0 EDAERN CCN(c1ccc(NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1)C(C)C ZINC000191343325 443281764 /nfs/dbraw/zinc/28/17/64/443281764.db2.gz CGWBGMYCMDTIRU-UHFFFAOYSA-N 0 0 346.431 1.207 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCC2CCOCC2)C12CCOCC2 ZINC000185810807 443261878 /nfs/dbraw/zinc/26/18/78/443261878.db2.gz SZRHZSBKWKBXLX-GJZGRUSLSA-N 0 0 326.437 1.686 10 0 EDAERN O=C(CCOCC(F)(F)C(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000191270070 443269125 /nfs/dbraw/zinc/26/91/25/443269125.db2.gz WYVWSYUEVBBPKS-SNVBAGLBSA-N 0 0 338.305 1.749 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)[C@H](C)OC)C(C)C ZINC000191449935 443296218 /nfs/dbraw/zinc/29/62/18/443296218.db2.gz TYBRHHCCPXBREP-HEHGZKQESA-N 0 0 336.432 1.989 10 0 EDAERN CC(C)c1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc(=O)[nH]1 ZINC000299741509 444129781 /nfs/dbraw/zinc/12/97/81/444129781.db2.gz FLANOULTDUTVGC-NXEZZACHSA-N 0 0 345.321 1.646 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)CC[C@@H]21 ZINC000299744532 444132429 /nfs/dbraw/zinc/13/24/29/444132429.db2.gz PBIRQENYCJZFBJ-CVEARBPZSA-N 0 0 342.399 1.423 10 0 EDAERN CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCc2nc(C)no2)n1C ZINC000328633033 444404670 /nfs/dbraw/zinc/40/46/70/444404670.db2.gz SHMLCIKSRTUKJN-AWEZNQCLSA-N 0 0 345.403 1.720 10 0 EDAERN CN(Cc1noc(C2CC2)n1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328634395 444405366 /nfs/dbraw/zinc/40/53/66/444405366.db2.gz MTLWXNLDGJWJOQ-GJZGRUSLSA-N 0 0 346.410 1.781 10 0 EDAERN CCc1nnc2n1CCN(C1CN(C(=O)C3=CCCCCC3)C1)C2 ZINC000328636503 444406617 /nfs/dbraw/zinc/40/66/17/444406617.db2.gz OBCQGUFHJQGEHD-UHFFFAOYSA-N 0 0 329.448 1.757 10 0 EDAERN COc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2cccnn2)on1 ZINC000328626009 444401041 /nfs/dbraw/zinc/40/10/41/444401041.db2.gz DRQHFKPNBNZWJL-QWRGUYRKSA-N 0 0 335.339 1.162 10 0 EDAERN Cc1nnc(CN(C)[C@@H]2CN(Cc3ccc([C@H]4C[C@H]4C)o3)C[C@H]2O)o1 ZINC000328628827 444401895 /nfs/dbraw/zinc/40/18/95/444401895.db2.gz HPBWWOJEWBCRTM-MSQAHXEGSA-N 0 0 346.431 1.772 10 0 EDAERN C[C@H]1CC[C@H](O)CN1S(=O)(=O)c1cncc(Br)c1 ZINC000399257547 447563094 /nfs/dbraw/zinc/56/30/94/447563094.db2.gz MVZUYRMBZMRTOH-WPRPVWTQSA-N 0 0 335.223 1.378 10 0 EDAERN COc1ncc(Cl)c(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000583617761 448445006 /nfs/dbraw/zinc/44/50/06/448445006.db2.gz ONQCKZYFXCAXOF-YPMHNXCESA-N 0 0 333.779 1.918 10 0 EDAERN Cc1cccc(OCC(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583618235 448446556 /nfs/dbraw/zinc/44/65/56/448446556.db2.gz VUYKIMFQVPOFAW-SFHVURJKSA-N 0 0 344.415 1.666 10 0 EDAERN O=C(Nc1ccsc1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000548678487 449080031 /nfs/dbraw/zinc/08/00/31/449080031.db2.gz ZWIGHIOYBWIMHE-NSHDSACASA-N 0 0 328.401 2.509 10 0 EDAERN Cc1cc(Br)ccc1SCC(=O)N[C@@H]1CCNC1=O ZINC000616973430 449414455 /nfs/dbraw/zinc/41/44/55/449414455.db2.gz XKTZGDNITALCCA-SNVBAGLBSA-N 0 0 343.246 1.854 10 0 EDAERN Cc1cc(CO)oc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000619290423 450447725 /nfs/dbraw/zinc/44/77/25/450447725.db2.gz BFBXYNRLQAOBCZ-BLLLJJGKSA-N 0 0 333.388 1.712 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@H](c2cccc(CO)c2)C1 ZINC000616593256 450454395 /nfs/dbraw/zinc/45/43/95/450454395.db2.gz IOTCZLFHFZVOHK-QGZVFWFLSA-N 0 0 347.436 1.984 10 0 EDAERN NC(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)cc1 ZINC000616601986 450454467 /nfs/dbraw/zinc/45/44/67/450454467.db2.gz KEKIJKZKPNKQCB-INIZCTEOSA-N 0 0 345.424 1.121 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616656970 450458179 /nfs/dbraw/zinc/45/81/79/450458179.db2.gz WIFRMOWVMJPPKD-OAHLLOKOSA-N 0 0 349.431 1.856 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2cc3ccccc3nn2)Cc2ccccc21 ZINC000616671054 450458936 /nfs/dbraw/zinc/45/89/36/450458936.db2.gz WYUHVIWMOUBQJD-CQSZACIVSA-N 0 0 340.408 1.980 10 0 EDAERN Nc1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3F)C2)cc(=O)[nH]1 ZINC000630724351 451364684 /nfs/dbraw/zinc/36/46/84/451364684.db2.gz UHWJMHLGFYFUAM-SNVBAGLBSA-N 0 0 334.326 1.601 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@@H](C)O2)n1 ZINC000628859836 451443019 /nfs/dbraw/zinc/44/30/19/451443019.db2.gz YYQFNEBBOZAXPU-LDYMZIIASA-N 0 0 325.756 1.217 10 0 EDAERN O=C(CCc1cccc(Br)c1)N[C@H]1CCOC[C@H]1O ZINC000629219362 451600361 /nfs/dbraw/zinc/60/03/61/451600361.db2.gz CTVBSUUGMDSOFK-QWHCGFSZSA-N 0 0 328.206 1.648 10 0 EDAERN CO[C@@]1(c2nnc(CN(C)Cc3cc(Cl)cn3C)o2)CCOC1 ZINC000644252849 453202443 /nfs/dbraw/zinc/20/24/43/453202443.db2.gz XRAVPGJUJHWGHV-HNNXBMFYSA-N 0 0 340.811 1.956 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCCN(c2ccccc2)CC1 ZINC000644319775 453296839 /nfs/dbraw/zinc/29/68/39/453296839.db2.gz OBMUCRRWPZUFFY-QGZVFWFLSA-N 0 0 345.443 1.099 10 0 EDAERN O=C(O[C@@H]1COCCO1)c1ccc(I)cc1 ZINC000205033387 485564330 /nfs/dbraw/zinc/56/43/30/485564330.db2.gz ZTKLTUQGGKNYDZ-SNVBAGLBSA-N 0 0 334.109 1.821 10 0 EDAERN CCCCCN1c2ccc(NS(=O)(=O)N(C)C)cc2CC1=O ZINC000584648029 485900173 /nfs/dbraw/zinc/90/01/73/485900173.db2.gz RGSMTGNSPZASIA-UHFFFAOYSA-N 0 0 325.434 1.984 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)C[C@@H]1C ZINC000245473243 486103102 /nfs/dbraw/zinc/10/31/02/486103102.db2.gz PUYVPUOTUQRMOZ-JQHSSLGASA-N 0 0 347.459 1.879 10 0 EDAERN Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000670145770 486641118 /nfs/dbraw/zinc/64/11/18/486641118.db2.gz GGBKUFBDPRNKSM-MRVPVSSYSA-N 0 0 330.310 1.668 10 0 EDAERN CCN1CCO[C@H](CNc2ncc(Br)c(OC)n2)C1 ZINC000228058528 491236663 /nfs/dbraw/zinc/23/66/63/491236663.db2.gz BLBLTPZNNKTDGO-SECBINFHSA-N 0 0 331.214 1.380 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3cncc(C)c3)CC2)no1 ZINC000119578785 490995868 /nfs/dbraw/zinc/99/58/68/490995868.db2.gz DCPBVEYTOPSRKF-UHFFFAOYSA-N 0 0 344.419 1.499 10 0 EDAERN O=C(Cc1cccc(F)c1)N1CC[C@H](n2c(=O)[nH]c3cncnc32)C1 ZINC000065256743 490997140 /nfs/dbraw/zinc/99/71/40/490997140.db2.gz CRCVSABJPRDEMK-ZDUSSCGKSA-N 0 0 341.346 1.275 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)N(C)C3CCCCC3)CCO2)[nH]1 ZINC000173356949 500997645 /nfs/dbraw/zinc/99/76/45/500997645.db2.gz DHSWPYBSAOAMEH-SWLSCSKDSA-N 0 0 335.452 1.666 10 0 EDAERN COc1ccc(C[C@H](O)[C@H](C)S(C)(=O)=O)cc1Br ZINC000167627423 533805687 /nfs/dbraw/zinc/80/56/87/533805687.db2.gz JJGOKBXXFOYJMV-KWQFWETISA-N 0 0 337.235 1.794 10 0 EDAERN Cc1c(NC(=O)c2cnccc2Cl)cccc1S(N)(=O)=O ZINC000169217743 533920133 /nfs/dbraw/zinc/92/01/33/533920133.db2.gz VGJYWWJTSONDSH-UHFFFAOYSA-N 0 0 325.777 1.943 10 0 EDAERN COc1ccc(N)c(S(=O)(=O)Cc2c(Cl)c(C)nn2C)c1 ZINC000166286658 533986776 /nfs/dbraw/zinc/98/67/76/533986776.db2.gz ACSWJQVHYJFGIG-UHFFFAOYSA-N 0 0 329.809 1.947 10 0 EDAERN C[C@@H](C[S@](C)=O)NC(=O)c1cc(N)c(F)cc1Br ZINC000168668222 534228065 /nfs/dbraw/zinc/22/80/65/534228065.db2.gz ZSCSZTTVYHTVMM-AHGSNSTDSA-N 0 0 337.214 1.667 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)O1 ZINC000156413806 518179644 /nfs/dbraw/zinc/17/96/44/518179644.db2.gz OCQNPRWQJBDEFM-IIAWOOMASA-N 0 0 332.400 1.350 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2cccc(N(C)C)n2)C[C@@H]1N1CCOCC1 ZINC000153022773 534359262 /nfs/dbraw/zinc/35/92/62/534359262.db2.gz DTQPKDOMPIYADQ-KGLIPLIRSA-N 0 0 333.436 1.332 10 0 EDAERN CC(=O)NCCCCCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116782320 534367690 /nfs/dbraw/zinc/36/76/90/534367690.db2.gz SKXOGAYWJNPGID-KRWDZBQOSA-N 0 0 349.479 1.830 10 0 EDAERN NC(=O)[C@H]1CCCN(C(=O)c2cc(N)cc(Br)c2)C1 ZINC000165115151 534450718 /nfs/dbraw/zinc/45/07/18/534450718.db2.gz UMMDKRILDOFTAH-QMMMGPOBSA-N 0 0 326.194 1.369 10 0 EDAERN O=C([O-])C1([NH2+]CC(=O)Nc2ccc(Br)cn2)CCC1 ZINC000165265800 534485780 /nfs/dbraw/zinc/48/57/80/534485780.db2.gz UTMYPQZDDLTFNA-UHFFFAOYSA-N 0 0 328.166 1.380 10 0 EDAERN O=C(NCCc1nccs1)N1CCC(Nc2cccnn2)CC1 ZINC000154329659 534508454 /nfs/dbraw/zinc/50/84/54/534508454.db2.gz KOXQRPZOLDYLIV-UHFFFAOYSA-N 0 0 332.433 1.762 10 0 EDAERN O=C([O-])c1cc(Br)cc(NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000166650832 534541258 /nfs/dbraw/zinc/54/12/58/534541258.db2.gz PLAFLQGJFPSCMN-NSHDSACASA-N 0 0 343.177 1.464 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-c2ccccc2)[nH]1 ZINC000179477987 534624630 /nfs/dbraw/zinc/62/46/30/534624630.db2.gz QPOSBZVQUWAKEM-HNNXBMFYSA-N 0 0 329.400 1.105 10 0 EDAERN [NH3+]CC[C@@H]1CCCCN1c1nc[n-]c(=O)c1I ZINC000164338224 534647618 /nfs/dbraw/zinc/64/76/18/534647618.db2.gz PZANBPFVRUVMGA-QMMMGPOBSA-N 0 0 348.188 1.082 10 0 EDAERN O=C(NCc1cccnc1-n1ccnc1)N[C@@H]1CCCC[C@@H]1CO ZINC000175936904 534687254 /nfs/dbraw/zinc/68/72/54/534687254.db2.gz IUKANRKYVUVOAF-HUUCEWRRSA-N 0 0 329.404 1.618 10 0 EDAERN Cn1cc(C(=O)C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 ZINC000168987689 534729785 /nfs/dbraw/zinc/72/97/85/534729785.db2.gz HMUWPTITOLOQFA-LBPRGKRZSA-N 0 0 325.290 1.893 10 0 EDAERN O=C(c1cccc(-n2cccn2)n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000135483058 534733208 /nfs/dbraw/zinc/73/32/08/534733208.db2.gz BDPXTBSBIAZYJR-CQSZACIVSA-N 0 0 338.371 1.005 10 0 EDAERN O=C1[C@H](SC[C@H](O)CO)CCN1c1ccc(C(F)(F)F)cc1 ZINC000177449401 534845715 /nfs/dbraw/zinc/84/57/15/534845715.db2.gz USFGVACTEQYQPL-VXGBXAGGSA-N 0 0 335.347 1.897 10 0 EDAERN O=S(=O)(c1cccc(Cl)c1Cl)N1CCOC[C@H]1CO ZINC000168642921 534873928 /nfs/dbraw/zinc/87/39/28/534873928.db2.gz ZMXDHKFCZDAJTB-MRVPVSSYSA-N 0 0 326.201 1.375 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000246208632 534894949 /nfs/dbraw/zinc/89/49/49/534894949.db2.gz YAIIEFAIHNLASS-UPJWGTAASA-N 0 0 349.435 1.923 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000247354817 534896031 /nfs/dbraw/zinc/89/60/31/534896031.db2.gz BMGQBWJKQJMCMB-XQQFMLRXSA-N 0 0 349.435 1.403 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000190179205 526711179 /nfs/dbraw/zinc/71/11/79/526711179.db2.gz UGMFBHSSKMCDTN-LLVKDONJSA-N 0 0 328.372 1.933 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000189736516 526711187 /nfs/dbraw/zinc/71/11/87/526711187.db2.gz FWGXDHJVJHKTNB-HNNXBMFYSA-N 0 0 345.378 1.179 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cc1C ZINC000131968497 527294509 /nfs/dbraw/zinc/29/45/09/527294509.db2.gz PPRMPVNIIKSHIE-XJKSGUPXSA-N 0 0 332.400 1.803 10 0 EDAERN CCN1CCO[C@@H](Cn2cnc(Cl)c(Br)c2=O)C1 ZINC000164866459 527732564 /nfs/dbraw/zinc/73/25/64/527732564.db2.gz TWBQGJGZPQUDMU-MRVPVSSYSA-N 0 0 336.617 1.380 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)C12CCOCC2 ZINC000187025806 527829860 /nfs/dbraw/zinc/82/98/60/527829860.db2.gz MUYMWXOZXBNOGF-CHWSQXEVSA-N 0 0 345.403 1.137 10 0 EDAERN CCN(CC(=O)N(C)C)C(=O)c1cc(N)cc(Br)c1 ZINC000165319484 527893040 /nfs/dbraw/zinc/89/30/40/527893040.db2.gz CWAYVLOLHQRDLT-UHFFFAOYSA-N 0 0 328.210 1.582 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)c2c(C)nn(C)c2C)C12CCOCC2 ZINC000187154275 527909510 /nfs/dbraw/zinc/90/95/10/527909510.db2.gz DSBIOFIMPYXFFH-UONOGXRCSA-N 0 0 349.431 1.310 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000171360356 527950656 /nfs/dbraw/zinc/95/06/56/527950656.db2.gz AOGFYDJIYUUMMO-AWEZNQCLSA-N 0 0 332.404 1.698 10 0 EDAERN CC(C)OCCN(C)S(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000157240874 527952723 /nfs/dbraw/zinc/95/27/23/527952723.db2.gz QDSLRQLSHWQOBY-UHFFFAOYSA-N 0 0 334.438 1.505 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000131267280 528012236 /nfs/dbraw/zinc/01/22/36/528012236.db2.gz WYSUQLLZJOLXOY-UHFFFAOYSA-N 0 0 349.479 1.954 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000131244401 528013367 /nfs/dbraw/zinc/01/33/67/528013367.db2.gz TWJRZUKMOPMJFD-AWEZNQCLSA-N 0 0 335.452 1.528 10 0 EDAERN CC(C)CNC(=O)CS(=O)(=O)c1cc(Br)ccc1N ZINC000167140042 528035047 /nfs/dbraw/zinc/03/50/47/528035047.db2.gz FSXDMSRAQNVVMP-UHFFFAOYSA-N 0 0 349.250 1.577 10 0 EDAERN CCNC(=O)CCOc1ccc(Br)cc1C(N)=S ZINC000157483671 528073829 /nfs/dbraw/zinc/07/38/29/528073829.db2.gz CESUMUHAIINVMX-UHFFFAOYSA-N 0 0 331.235 1.988 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)N1CCN(Cc2cccc(C)c2)CC1)C(=O)[O-] ZINC000185044342 528215910 /nfs/dbraw/zinc/21/59/10/528215910.db2.gz WAUWRPAIARCXDE-KRWDZBQOSA-N 0 0 347.459 1.482 10 0 EDAERN CC(C)c1nc(C2(NC[C@@H](O)CN3CCOCC3)CCCC2)no1 ZINC000174241647 528267094 /nfs/dbraw/zinc/26/70/94/528267094.db2.gz XIOWLWLYJGZUKP-CQSZACIVSA-N 0 0 338.452 1.245 10 0 EDAERN CCOC(=O)c1nnc(Oc2ccc(S(C)(=O)=O)cc2)s1 ZINC000156643883 528380237 /nfs/dbraw/zinc/38/02/37/528380237.db2.gz SQJVBKYKKWKJCZ-UHFFFAOYSA-N 0 0 328.371 1.911 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)CCc1ccncc1)CC2 ZINC000181715807 528477400 /nfs/dbraw/zinc/47/74/00/528477400.db2.gz YTHJLWDRBKYIPH-OAHLLOKOSA-N 0 0 342.447 1.995 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCCn1ccnc1)CC2 ZINC000181352829 528478364 /nfs/dbraw/zinc/47/83/64/528478364.db2.gz BAXLHSWETZMDHH-CYBMUJFWSA-N 0 0 331.424 1.302 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000184376563 528482284 /nfs/dbraw/zinc/48/22/84/528482284.db2.gz NAEJVIGGXYSASR-SFHVURJKSA-N 0 0 347.459 1.805 10 0 EDAERN CC(C)c1nnsc1-c1nnc(S(N)(=O)=O)n1C(C)(C)C ZINC000158375679 528486393 /nfs/dbraw/zinc/48/63/93/528486393.db2.gz JPPIXMOJJXEAFN-UHFFFAOYSA-N 0 0 330.439 1.322 10 0 EDAERN CC(C)n1ccnc1C[S@@](=O)CC(=O)NCC(=O)OC(C)(C)C ZINC000181434707 528607671 /nfs/dbraw/zinc/60/76/71/528607671.db2.gz KPJRIGLFYNWEMU-HSZRJFAPSA-N 0 0 343.449 1.171 10 0 EDAERN CC(C)Cc1ccc(CC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154155906 528645157 /nfs/dbraw/zinc/64/51/57/528645157.db2.gz YNIRSSLHISNFIX-GOSISDBHSA-N 0 0 334.460 1.237 10 0 EDAERN CC(C)Cc1nnc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000174506503 528677222 /nfs/dbraw/zinc/67/72/22/528677222.db2.gz QDDPYJYNFZIMPZ-SNVBAGLBSA-N 0 0 325.438 1.821 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000176562618 528703524 /nfs/dbraw/zinc/70/35/24/528703524.db2.gz GMFPWHVPMIHGRN-BGJPBQGDSA-N 0 0 339.465 1.292 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000174980703 528737147 /nfs/dbraw/zinc/73/71/47/528737147.db2.gz WPCUASHWECSCFG-KBPBESRZSA-N 0 0 327.450 1.871 10 0 EDAERN CCCc1nnsc1[C@@H](NN)c1c(Br)cnn1C ZINC000162052946 528779910 /nfs/dbraw/zinc/77/99/10/528779910.db2.gz MIUSWXAPWTYAGQ-QMMMGPOBSA-N 0 0 331.243 1.539 10 0 EDAERN CCCS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175223740 528812853 /nfs/dbraw/zinc/81/28/53/528812853.db2.gz UOWILIFWCDHFBR-OLZOCXBDSA-N 0 0 332.491 1.839 10 0 EDAERN CCOCCO[C@H](C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187751154 528824779 /nfs/dbraw/zinc/82/47/79/528824779.db2.gz GJJSOTHIIZMSLX-SNPRPXQTSA-N 0 0 327.446 1.724 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cncc(O)c3)CC2)cn1 ZINC000171870925 528840785 /nfs/dbraw/zinc/84/07/85/528840785.db2.gz OTHCQTKIABGQKC-UHFFFAOYSA-N 0 0 343.431 1.742 10 0 EDAERN CCCn1ncc(NCCC[S@](C)=O)c(Br)c1=O ZINC000158735730 528884450 /nfs/dbraw/zinc/88/44/50/528884450.db2.gz CGMGRDMUDUQWND-GOSISDBHSA-N 0 0 336.255 1.596 10 0 EDAERN CCOC(=O)NCC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000171855906 529029696 /nfs/dbraw/zinc/02/96/96/529029696.db2.gz DZXQKNJZBGUPGI-UHFFFAOYSA-N 0 0 346.387 1.531 10 0 EDAERN CCCCn1cc(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)c(C)n1 ZINC000185928463 529075349 /nfs/dbraw/zinc/07/53/49/529075349.db2.gz LDXJOIREIUYGKN-CQSZACIVSA-N 0 0 346.435 1.886 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(C)(C)C(=O)NC ZINC000154401057 529255649 /nfs/dbraw/zinc/25/56/49/529255649.db2.gz WPHDHDXPGDXATN-ZFWWWQNUSA-N 0 0 347.459 1.720 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)Cc1cnn(C)c1)CC2 ZINC000181701608 535026813 /nfs/dbraw/zinc/02/68/13/535026813.db2.gz XCZOJIBWYUNONR-CYBMUJFWSA-N 0 0 331.424 1.291 10 0 EDAERN CC1(CNC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)COC1 ZINC000182865909 535135513 /nfs/dbraw/zinc/13/55/13/535135513.db2.gz GQAGTBFOFWZPEK-CYBMUJFWSA-N 0 0 333.436 1.888 10 0 EDAERN CC(C)n1nnnc1CNc1cccc(OCC(=O)N2CCCC2)c1 ZINC000194994266 535169773 /nfs/dbraw/zinc/16/97/73/535169773.db2.gz ZJVZMGNJLTVEMU-UHFFFAOYSA-N 0 0 344.419 1.867 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2ccc(F)cc2F)C[C@H]1C ZINC000247240379 535603900 /nfs/dbraw/zinc/60/39/00/535603900.db2.gz SHAUDPZMAYSXCU-CYBMUJFWSA-N 0 0 341.402 1.946 10 0 EDAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@H]2CCc3nc(CC)nn3C2)CC1=O ZINC000246834240 535638258 /nfs/dbraw/zinc/63/82/58/535638258.db2.gz XTRNYRSLIGWQES-IHRRRGAJSA-N 0 0 347.463 1.309 10 0 EDAERN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193373929 535770902 /nfs/dbraw/zinc/77/09/02/535770902.db2.gz JXSOYVLOEHPJIB-RCCFBDPRSA-N 0 0 332.444 1.756 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCN(C)C1=O ZINC000246743504 535867053 /nfs/dbraw/zinc/86/70/53/535867053.db2.gz ZIIGLAQGLAIEBD-AEGPPILISA-N 0 0 331.416 1.178 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CC1 ZINC000248490532 535989321 /nfs/dbraw/zinc/98/93/21/535989321.db2.gz NNXGYJRRCDLHLT-WZGPROSRSA-N 0 0 343.471 1.813 10 0 EDAERN CO[C@@H]1CN(C(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)C[C@H]1OC ZINC000333299210 536728981 /nfs/dbraw/zinc/72/89/81/536728981.db2.gz BPOBMWYSKYADIO-WRFANHODSA-N 0 0 349.431 1.181 10 0 EDAERN COc1ccc(O)c(C(=O)N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000131192400 536817405 /nfs/dbraw/zinc/81/74/05/536817405.db2.gz YNQRJFWHXAKBJY-UHFFFAOYSA-N 0 0 346.387 1.440 10 0 EDAERN COCCN1CCN(CC(=O)N[C@H](C)CCCC(C)C)C[C@H]1C ZINC000247013788 536873219 /nfs/dbraw/zinc/87/32/19/536873219.db2.gz CGKPEMDMMSYSIN-IAGOWNOFSA-N 0 0 327.513 1.970 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)N2CCC(c3cc(C)n[nH]3)CC2)C1=O ZINC000888076050 590929494 /nfs/dbraw/zinc/92/94/94/590929494.db2.gz SBZMIHWIYHZECJ-MRXNPFEDSA-N 0 0 348.447 1.452 10 0 EDAERN CSc1cc(NC(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)ncn1 ZINC000888954141 590940320 /nfs/dbraw/zinc/94/03/20/590940320.db2.gz HEZZRLMEIHEXDQ-JTQLQIEISA-N 0 0 333.421 1.442 10 0 EDAERN COc1ccc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cc1F ZINC000888094289 591023755 /nfs/dbraw/zinc/02/37/55/591023755.db2.gz HPWDELIACAIFCD-GOEBONIOSA-N 0 0 349.362 1.073 10 0 EDAERN C[C@H](NC(=O)c1cccnc1OCC(F)(F)F)c1cc(=O)[nH][nH]1 ZINC000898867759 591574187 /nfs/dbraw/zinc/57/41/87/591574187.db2.gz QHZXEUZVVGEPLG-ZETCQYMHSA-N 0 0 330.266 1.942 10 0 EDAERN COCc1cncc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)c1 ZINC000899082913 591671303 /nfs/dbraw/zinc/67/13/03/591671303.db2.gz LPDSFQGBMWSYKX-HNNXBMFYSA-N 0 0 327.388 1.784 10 0 EDAERN COc1ccc(-n2cnn(CN3C[C@H](C)O[C@@H](C)C3)c2=S)cn1 ZINC000103457451 593302647 /nfs/dbraw/zinc/30/26/47/593302647.db2.gz JWOLBAIWOQJGMJ-RYUDHWBXSA-N 0 0 335.433 1.874 10 0 EDAERN Cc1nnc(COC2CN(C(=O)C[C@H]3OC(=O)c4ccccc43)C2)o1 ZINC000818661178 593710988 /nfs/dbraw/zinc/71/09/88/593710988.db2.gz ZGUFFJIVRVKAKY-CQSZACIVSA-N 0 0 343.339 1.407 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 ZINC000106393404 595263316 /nfs/dbraw/zinc/26/33/16/595263316.db2.gz QVXLHFYXOQCBPM-CYBMUJFWSA-N 0 0 346.456 1.734 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCn1c(=O)oc2ccccc21 ZINC000107060441 595470797 /nfs/dbraw/zinc/47/07/97/595470797.db2.gz OOQGIKCUUPWZBJ-LLVKDONJSA-N 0 0 344.323 1.549 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C[C@@H]1C ZINC000117277270 595605420 /nfs/dbraw/zinc/60/54/20/595605420.db2.gz UMRGLIHACIYLKU-YJBOKZPZSA-N 0 0 345.443 1.749 10 0 EDAERN Cc1cc(-n2c(C)cn(CN3CC[C@H](c4cnn(C)c4)C3)c2=O)no1 ZINC000116259584 595863061 /nfs/dbraw/zinc/86/30/61/595863061.db2.gz UXZAHOSMZLHXJU-AWEZNQCLSA-N 0 0 342.403 1.424 10 0 EDAERN O=C(NCc1cscn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117041205 596228852 /nfs/dbraw/zinc/22/88/52/596228852.db2.gz MVDGJYGULXMVOO-MRXNPFEDSA-N 0 0 346.456 1.704 10 0 EDAERN Cc1cnccc1C(=O)N1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864834670 596376953 /nfs/dbraw/zinc/37/69/53/596376953.db2.gz BHOKZYWFDIOZAR-LBPRGKRZSA-N 0 0 327.388 1.581 10 0 EDAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C2)cc(=O)[nH]1 ZINC000864840116 596382464 /nfs/dbraw/zinc/38/24/64/596382464.db2.gz OCSPZDNGHJAZPR-SNVBAGLBSA-N 0 0 347.806 1.926 10 0 EDAERN CN(C)c1nc([C@H]2CCN(C(=O)c3ccc(CO)cc3)C2)cc(=O)[nH]1 ZINC000864841697 596383152 /nfs/dbraw/zinc/38/31/52/596383152.db2.gz BKPDXHUBVSUNMC-AWEZNQCLSA-N 0 0 342.399 1.370 10 0 EDAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@H](CCO)C1 ZINC000122830287 596670281 /nfs/dbraw/zinc/67/02/81/596670281.db2.gz BOAWZHIMIRTELQ-SNVBAGLBSA-N 0 0 329.809 1.381 10 0 EDAERN CCOC(=O)c1cnn(CN2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000133037067 597923286 /nfs/dbraw/zinc/92/32/86/597923286.db2.gz PVMUHKUMWXKGCE-CYBMUJFWSA-N 0 0 333.392 1.663 10 0 EDAERN Cc1cc(=O)oc2cc(OCCn3cnc4c3ncnc4N)ccc12 ZINC000033894836 697394471 /nfs/dbraw/zinc/39/44/71/697394471.db2.gz IUEOQCOSHBIKAF-UHFFFAOYSA-N 0 0 337.339 1.902 10 0 EDAERN CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000180092769 698587915 /nfs/dbraw/zinc/58/79/15/698587915.db2.gz MJMQTLQSDZCFLM-INIZCTEOSA-N 0 0 339.443 1.925 10 0 EDAERN CCOC(CN1CCN([C@H](C)c2nc(CC)no2)CC1)OCC ZINC000184967849 698726097 /nfs/dbraw/zinc/72/60/97/698726097.db2.gz KEEHFPUJYQLPPZ-CYBMUJFWSA-N 0 0 326.441 1.710 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCCC1(C)OCCO1)C2 ZINC000185115548 698975551 /nfs/dbraw/zinc/97/55/51/698975551.db2.gz QZLPUNBVGNFUQN-UHFFFAOYSA-N 0 0 336.436 1.764 10 0 EDAERN COc1ccc(C(=O)[N-]C(=O)C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000183650290 702244463 /nfs/dbraw/zinc/24/44/63/702244463.db2.gz ZHBJIYIIQDZJLQ-MRXNPFEDSA-N 0 0 328.368 1.275 10 0 EDAERN COCCN([C@H]1CCSC1)S(=O)(=O)Cc1ccccc1N ZINC000050102511 214045377 /nfs/dbraw/zinc/04/53/77/214045377.db2.gz BBCVNVGCZKBTSA-ZDUSSCGKSA-N 0 0 330.475 1.553 10 0 EDAERN O=C(CCCN1C(=O)COCC1=O)c1ccc(Br)cc1 ZINC000050131220 214047127 /nfs/dbraw/zinc/04/71/27/214047127.db2.gz XLNDTQSXXNZJIJ-UHFFFAOYSA-N 0 0 340.173 1.797 10 0 EDAERN Nc1ccc(Cl)cc1-c1nnnn1C[C@H]1CCS(=O)(=O)C1 ZINC000050604499 214061197 /nfs/dbraw/zinc/06/11/97/214061197.db2.gz BWPXNJWAMSKDOX-MRVPVSSYSA-N 0 0 327.797 1.010 10 0 EDAERN CC[C@H]1CCCN1S(=O)(=O)c1cc(Br)cnc1N ZINC000050630863 214061817 /nfs/dbraw/zinc/06/18/17/214061817.db2.gz QLHKZMXMHAWNNF-VIFPVBQESA-N 0 0 334.239 1.989 10 0 EDAERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H](C)C1CC1 ZINC000050655076 214064812 /nfs/dbraw/zinc/06/48/12/214064812.db2.gz IHUXKHPWRSCEFF-VIFPVBQESA-N 0 0 332.447 1.209 10 0 EDAERN NS(=O)(=O)c1ccc(OCCN2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000051995576 214111677 /nfs/dbraw/zinc/11/16/77/214111677.db2.gz WHWJMOPQUAEHME-JKSUJKDBSA-N 0 0 340.445 1.356 10 0 EDAERN C[C@@H](O)c1cc(Br)ccc1O[C@H](C)C(=O)NC(N)=O ZINC000052068403 214115539 /nfs/dbraw/zinc/11/55/39/214115539.db2.gz VXHHHTYRSFVEST-RNFRBKRXSA-N 0 0 331.166 1.465 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)N2CCC[C@H]2CCCO)cc1 ZINC000052763786 214143035 /nfs/dbraw/zinc/14/30/35/214143035.db2.gz RQYSHZGJRBFQAN-LBPRGKRZSA-N 0 0 328.459 1.246 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc3nc(N)sc3c2)C[C@H](C)O1 ZINC000053993860 214209164 /nfs/dbraw/zinc/20/91/64/214209164.db2.gz HEXVQQSXAPNTFK-IUCAKERBSA-N 0 0 327.431 1.676 10 0 EDAERN C[C@@H](NCc1cn(CCC(N)=O)c2ccccc12)c1nncn1C ZINC000055271271 214299239 /nfs/dbraw/zinc/29/92/39/214299239.db2.gz ZYEJJDYEKNNVAG-GFCCVEGCSA-N 0 0 326.404 1.496 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCO2)[nH]1 ZINC000173736018 231019274 /nfs/dbraw/zinc/01/92/74/231019274.db2.gz XHZXAMGSUCHBGI-GFCCVEGCSA-N 0 0 342.808 1.529 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1F ZINC000173997443 231094311 /nfs/dbraw/zinc/09/43/11/231094311.db2.gz OISOMNSJBZUOTD-CYBMUJFWSA-N 0 0 328.409 1.229 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000174001685 231095051 /nfs/dbraw/zinc/09/50/51/231095051.db2.gz IXLZPSJVTFVSCF-ZDUSSCGKSA-N 0 0 328.409 1.229 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cnc1Cl ZINC000174000618 231095734 /nfs/dbraw/zinc/09/57/34/231095734.db2.gz KIKAEQUFBIKZJK-GFCCVEGCSA-N 0 0 345.852 1.139 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)c2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000173963452 231083505 /nfs/dbraw/zinc/08/35/05/231083505.db2.gz TUUXWQJMJKVLOY-WFASDCNBSA-N 0 0 336.819 1.702 10 0 EDAERN CC[C@@H]1NC(=O)C[C@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168916932 529463069 /nfs/dbraw/zinc/46/30/69/529463069.db2.gz CSZFMGZBRWSYME-CABZTGNLSA-N 0 0 340.221 1.860 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(C)oc3C)C2=O)n(C)n1 ZINC000175014404 231366984 /nfs/dbraw/zinc/36/69/84/231366984.db2.gz WNZWGCUIZLYIEO-CQSZACIVSA-N 0 0 330.388 1.864 10 0 EDAERN COCCCS(=O)(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000175171340 231398522 /nfs/dbraw/zinc/39/85/22/231398522.db2.gz KATZPPDFPGZAKL-HOTGVXAUSA-N 0 0 327.446 1.941 10 0 EDAERN CCn1ccnc1C[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000155295095 529582244 /nfs/dbraw/zinc/58/22/44/529582244.db2.gz KNYYADVKQCYNKH-QFIPXVFZSA-N 0 0 334.323 1.866 10 0 EDAERN CCN1CCN(C(=O)CCc2ccc3[nH]c(=O)c(C)cc3c2)CC1 ZINC000049681459 214025970 /nfs/dbraw/zinc/02/59/70/214025970.db2.gz OQDZAHUWLKZKNZ-UHFFFAOYSA-N 0 0 327.428 1.933 10 0 EDAERN Cc1cc(C(=O)NCCc2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000049682855 214026095 /nfs/dbraw/zinc/02/60/95/214026095.db2.gz DXKMYTKYUAORRR-HNNXBMFYSA-N 0 0 347.440 1.524 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCc3ccc(F)cc3)CCO2)[nH]1 ZINC000178012584 529699044 /nfs/dbraw/zinc/69/90/44/529699044.db2.gz BHEBBIYXLCGQOC-AWEZNQCLSA-N 0 0 347.394 1.832 10 0 EDAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)[nH]1 ZINC000173740706 529702022 /nfs/dbraw/zinc/70/20/22/529702022.db2.gz KISFWDVUOOOBRR-LLVKDONJSA-N 0 0 340.380 1.268 10 0 EDAERN CCc1nnc([C@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)[nH]1 ZINC000131584621 529702343 /nfs/dbraw/zinc/70/23/43/529702343.db2.gz NBBUSQPGCHBCAZ-MRVPVSSYSA-N 0 0 328.298 1.754 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cncnc2N(C)C)cc1 ZINC000184427053 529719783 /nfs/dbraw/zinc/71/97/83/529719783.db2.gz DJFHFGUGRKKKFS-LBPRGKRZSA-N 0 0 341.415 1.921 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)C2CC2)c(C)c1 ZINC000061976576 214690554 /nfs/dbraw/zinc/69/05/54/214690554.db2.gz MAKROWKTAHLHDQ-OAHLLOKOSA-N 0 0 326.418 1.393 10 0 EDAERN CONC(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000062125446 214700729 /nfs/dbraw/zinc/70/07/29/214700729.db2.gz HAEOGMPHFDEDMY-ZDUSSCGKSA-N 0 0 349.412 1.509 10 0 EDAERN CCc1nc2cc(NC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3O)ccc2o1 ZINC000158547535 529748106 /nfs/dbraw/zinc/74/81/06/529748106.db2.gz VVNWQFNAYJWSMC-FZMZJTMJSA-N 0 0 345.399 1.996 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000153188138 529749657 /nfs/dbraw/zinc/74/96/57/529749657.db2.gz CWISXLRXSIOEFF-OCCSQVGLSA-N 0 0 343.435 1.988 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1nc2ccccn2n1 ZINC000183047912 529750057 /nfs/dbraw/zinc/75/00/57/529750057.db2.gz GECFQYAOAHPELN-JTQLQIEISA-N 0 0 326.364 1.540 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(OC)c(OC)cc1C)CC2 ZINC000154996669 529751538 /nfs/dbraw/zinc/75/15/38/529751538.db2.gz UVWURJRCRILHCL-GFCCVEGCSA-N 0 0 344.415 1.911 10 0 EDAERN CCc1nn(C)c(C[C@H](NN)c2csnn2)c1Br ZINC000157926032 529766786 /nfs/dbraw/zinc/76/67/86/529766786.db2.gz DIQQUIUOGPOSKY-ZETCQYMHSA-N 0 0 331.243 1.344 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cc(Br)ncc2Cl)C1 ZINC000187429509 529789908 /nfs/dbraw/zinc/78/99/08/529789908.db2.gz YIPQTACVSDZFKV-MRVPVSSYSA-N 0 0 348.628 1.558 10 0 EDAERN CCC1(CC)NC(=O)N(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1=O ZINC000113893690 282381026 /nfs/dbraw/zinc/38/10/26/282381026.db2.gz HOMFKNCKFACDDV-CYBMUJFWSA-N 0 0 347.419 1.574 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000124687996 535021192 /nfs/dbraw/zinc/02/11/92/535021192.db2.gz GHOIQOFRWFHXSG-XJKSGUPXSA-N 0 0 346.493 1.536 10 0 EDAERN Nc1cccc(Cl)c1S(=O)(=O)N(CCO)CC(F)(F)F ZINC000045166502 213711468 /nfs/dbraw/zinc/71/14/68/213711468.db2.gz KDYYMCYPIRTLDA-UHFFFAOYSA-N 0 0 332.731 1.468 10 0 EDAERN COCCCN(C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000066983405 215100875 /nfs/dbraw/zinc/10/08/75/215100875.db2.gz MMLXGWOXHQHDRC-GFCCVEGCSA-N 0 0 328.434 1.829 10 0 EDAERN COc1nccnc1N1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000097942342 539574140 /nfs/dbraw/zinc/57/41/40/539574140.db2.gz QLMBZGWCCTVFKJ-NSHDSACASA-N 0 0 342.403 1.096 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000179183747 232804716 /nfs/dbraw/zinc/80/47/16/232804716.db2.gz XGMNPKRWTMLXPH-CQSZACIVSA-N 0 0 342.461 1.668 10 0 EDAERN O=S1(=O)CC[C@H]([C@@H](O)c2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000043303744 213574404 /nfs/dbraw/zinc/57/44/04/213574404.db2.gz FJFSICLRBGPJHV-TVQRCGJNSA-N 0 0 332.805 1.969 10 0 EDAERN CCC(CC)N(CCO)S(=O)(=O)c1ccsc1C(=O)OC ZINC000042515919 213511227 /nfs/dbraw/zinc/51/12/27/213511227.db2.gz CLKFFBJDSGUWNO-UHFFFAOYSA-N 0 0 335.447 1.706 10 0 EDAERN CCOc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)on2)cc1 ZINC000041427431 213445276 /nfs/dbraw/zinc/44/52/76/213445276.db2.gz GTOGKNNRTSIHGO-UHFFFAOYSA-N 0 0 339.373 1.299 10 0 EDAERN CCCN[C@@](C)(C[C@H](C)SCCS(C)(=O)=O)C(=O)OC ZINC000068643607 215324947 /nfs/dbraw/zinc/32/49/47/215324947.db2.gz WRDIALICVYIEBQ-AAEUAGOBSA-N 0 0 325.496 1.474 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N[C@H]1CCC(=O)NC1 ZINC000104343239 219376608 /nfs/dbraw/zinc/37/66/08/219376608.db2.gz FWISEPCMTOYKES-JTQLQIEISA-N 0 0 328.210 1.669 10 0 EDAERN Cc1cn2c(ncc(C(=O)N3CCC[C@@H](n4cncn4)C3)c2=O)s1 ZINC000179976005 233605941 /nfs/dbraw/zinc/60/59/41/233605941.db2.gz KUKAZBHAZBAXPG-LLVKDONJSA-N 0 0 344.400 1.133 10 0 EDAERN C=COCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000040805434 213388901 /nfs/dbraw/zinc/38/89/01/213388901.db2.gz QYULORLJFWEDPS-UHFFFAOYSA-N 0 0 337.394 1.058 10 0 EDAERN COCCS(=O)(=O)NC[C@@H](c1ccco1)N1CCC(C)CC1 ZINC000040654239 213364698 /nfs/dbraw/zinc/36/46/98/213364698.db2.gz PDMKIMNFBKKKRN-AWEZNQCLSA-N 0 0 330.450 1.618 10 0 EDAERN O=S(=O)(CCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180975883 234049817 /nfs/dbraw/zinc/04/98/17/234049817.db2.gz WJGXBSGPSATYKR-MRXNPFEDSA-N 0 0 334.445 1.563 10 0 EDAERN CCn1cc(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)ccc1=O ZINC000181523961 234216224 /nfs/dbraw/zinc/21/62/24/234216224.db2.gz UZVJTBBJMOUDTO-ZDUSSCGKSA-N 0 0 344.419 1.720 10 0 EDAERN O=C(Cn1c(CNC(=O)C2CC2)nc2ccccc21)N1CCCC1 ZINC000040190846 213280196 /nfs/dbraw/zinc/28/01/96/213280196.db2.gz HIFGSGLAYYLGTF-UHFFFAOYSA-N 0 0 326.400 1.685 10 0 EDAERN CCN(CC)C(=O)Cn1c(CCCNC(C)=O)nc2ccccc21 ZINC000040203940 213281300 /nfs/dbraw/zinc/28/13/00/213281300.db2.gz NDZKBCDJZAWVTA-UHFFFAOYSA-N 0 0 330.432 1.973 10 0 EDAERN COCCCNC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000039841869 213242457 /nfs/dbraw/zinc/24/24/57/213242457.db2.gz YZDVVPDFPDDKOC-UHFFFAOYSA-N 0 0 342.417 1.353 10 0 EDAERN Cc1ccc(S(=O)(=O)NCNC(=O)Nc2ncccc2O)cc1 ZINC000038712449 213221731 /nfs/dbraw/zinc/22/17/31/213221731.db2.gz PZNDIELJUWRTCW-UHFFFAOYSA-N 0 0 336.373 1.153 10 0 EDAERN CNC(=O)[C@H](NS(=O)(=O)c1c(C)nn(CC(C)C)c1C)C(C)C ZINC000182764287 540133807 /nfs/dbraw/zinc/13/38/07/540133807.db2.gz OTOUZJBDMCUVKG-CYBMUJFWSA-N 0 0 344.481 1.205 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000188644029 540159796 /nfs/dbraw/zinc/15/97/96/540159796.db2.gz JLTMZWXBGNLAMA-BPLDGKMQSA-N 0 0 334.416 1.699 10 0 EDAERN OC[C@H]1C[C@H](O)CN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000184005753 235283930 /nfs/dbraw/zinc/28/39/30/235283930.db2.gz AVCZEUJFHLYDRB-NEPJUHHUSA-N 0 0 343.214 1.502 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000193260157 540181928 /nfs/dbraw/zinc/18/19/28/540181928.db2.gz RECJYQHSQYRLDB-LMMKCTJWSA-N 0 0 330.428 1.548 10 0 EDAERN O=S(=O)(N[C@H]1COc2ccccc21)c1cnn(CC(F)(F)F)c1 ZINC000184272176 235352881 /nfs/dbraw/zinc/35/28/81/235352881.db2.gz LIXHEPIQGBJSLO-NSHDSACASA-N 0 0 347.318 1.857 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cncnc1N(C)C)c1ccc(F)c(F)c1 ZINC000184427610 235394885 /nfs/dbraw/zinc/39/48/85/235394885.db2.gz OEJTVGPCTWORQU-SECBINFHSA-N 0 0 349.341 1.637 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000045162698 138112795 /nfs/dbraw/zinc/11/27/95/138112795.db2.gz XIKZWONJQOPMKB-CQSZACIVSA-N 0 0 334.420 1.035 10 0 EDAERN CCN(CCCNC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000048194032 138126185 /nfs/dbraw/zinc/12/61/85/138126185.db2.gz XJHGKBPWXAVTIH-KRWDZBQOSA-N 0 0 348.491 1.923 10 0 EDAERN COCC(=O)NC1CN(C(=O)C[C@@H](C)c2ccc(F)cc2F)C1 ZINC000185243817 235622998 /nfs/dbraw/zinc/62/29/98/235622998.db2.gz QOLSBLXSYYCZGH-SNVBAGLBSA-N 0 0 326.343 1.432 10 0 EDAERN c1cnn(C[C@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)c1 ZINC000105888099 219580287 /nfs/dbraw/zinc/58/02/87/219580287.db2.gz OLSNNEGHXBMWDC-OAHLLOKOSA-N 0 0 325.372 1.834 10 0 EDAERN O=C(NCc1ccnc(-n2cccn2)c1)N[C@H]1CCCC[C@H]1CO ZINC000081476671 138266643 /nfs/dbraw/zinc/26/66/43/138266643.db2.gz XLFBLBDDUGKUKI-GJZGRUSLSA-N 0 0 329.404 1.618 10 0 EDAERN CCOC(=O)C1CCN(S(=O)(=O)c2ccnc(Cl)c2)CC1 ZINC000038008599 213189137 /nfs/dbraw/zinc/18/91/37/213189137.db2.gz UYAULBNIHZJLJJ-UHFFFAOYSA-N 0 0 332.809 1.699 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000088380954 138272356 /nfs/dbraw/zinc/27/23/56/138272356.db2.gz ZAGWQTIRQXVBCJ-CYBMUJFWSA-N 0 0 342.403 1.904 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CSCC(F)(F)F ZINC000090441283 138278467 /nfs/dbraw/zinc/27/84/67/138278467.db2.gz UAIKXJMVCVKFBS-QMMMGPOBSA-N 0 0 338.355 1.671 10 0 EDAERN COc1c(CN2CCN(Cc3cccc(O)c3)CC2)c(C)nn1C ZINC000092789595 138290579 /nfs/dbraw/zinc/29/05/79/138290579.db2.gz MRHHLKLZMJAGGO-UHFFFAOYSA-N 0 0 330.432 1.761 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)[C@@H]2CC(c3ccccc3)=NO2)n1 ZINC000121082957 138316866 /nfs/dbraw/zinc/31/68/66/138316866.db2.gz FMLDRGZFCCCIQX-CABCVRRESA-N 0 0 342.355 1.471 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cc(C)no3)CC2)cn1 ZINC000105833357 138302091 /nfs/dbraw/zinc/30/20/91/138302091.db2.gz GOSLFOAMYDIWAI-UHFFFAOYSA-N 0 0 331.420 1.938 10 0 EDAERN COc1cccc(CC(=O)N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000109923131 138306661 /nfs/dbraw/zinc/30/66/61/138306661.db2.gz QAEADJSKCXKZSN-UHFFFAOYSA-N 0 0 344.415 1.664 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1ccc(C)cc1)CC2 ZINC000114976483 138310923 /nfs/dbraw/zinc/31/09/23/138310923.db2.gz DGCKYRHIJIPARE-GJZGRUSLSA-N 0 0 343.431 1.497 10 0 EDAERN CNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 ZINC000037978745 213180286 /nfs/dbraw/zinc/18/02/86/213180286.db2.gz JRVUZFHJKLINQT-UHFFFAOYSA-N 0 0 325.777 1.895 10 0 EDAERN O=C(c1ccc(N2CCNC2=O)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125144769 138332527 /nfs/dbraw/zinc/33/25/27/138332527.db2.gz FVPFUDAULGTSSV-UHFFFAOYSA-N 0 0 339.399 1.959 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000125444107 138333864 /nfs/dbraw/zinc/33/38/64/138333864.db2.gz ZYPBCOFMSMBLHJ-UHFFFAOYSA-N 0 0 333.436 1.748 10 0 EDAERN C[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nnc2n1CCCC2 ZINC000129978758 138339437 /nfs/dbraw/zinc/33/94/37/138339437.db2.gz SFEOYRMOCGOZMZ-NSHDSACASA-N 0 0 343.387 1.904 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)COC(C)(C)C)CC2)n1 ZINC000105894190 219584935 /nfs/dbraw/zinc/58/49/35/219584935.db2.gz GERFZKMXHHDJFW-JSGCOSHPSA-N 0 0 326.441 1.233 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC2(c3ccc(F)cc3F)CCC2)C1 ZINC000131652554 138363718 /nfs/dbraw/zinc/36/37/18/138363718.db2.gz KSJKBMCZFWTDIH-CYBMUJFWSA-N 0 0 339.386 1.974 10 0 EDAERN COCCn1c(C)cc(C(=O)CN2CC[C@H](N3CCOCC3)C2)c1C ZINC000131996776 138369579 /nfs/dbraw/zinc/36/95/79/138369579.db2.gz MIYMKFLXAGUIKI-KRWDZBQOSA-N 0 0 349.475 1.341 10 0 EDAERN O=S1(=O)CC[C@H](NCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000037389890 213143787 /nfs/dbraw/zinc/14/37/87/213143787.db2.gz UKNYLJNOPDZYRJ-NSHDSACASA-N 0 0 327.793 1.667 10 0 EDAERN Nc1ccc(NC(=O)CN2CCC(O)CC2)c(Br)c1 ZINC000037272336 213137376 /nfs/dbraw/zinc/13/73/76/213137376.db2.gz KOOWSNUWQXAYEQ-UHFFFAOYSA-N 0 0 328.210 1.427 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2cc(C(N)=S)ccc2C)CCO1 ZINC000070431477 215689853 /nfs/dbraw/zinc/68/98/53/215689853.db2.gz WZHOXBVENKIGRC-GFCCVEGCSA-N 0 0 328.459 1.429 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N1CCOCC1(C)C ZINC000070431537 215690074 /nfs/dbraw/zinc/69/00/74/215690074.db2.gz HLNTYQWUCZHKBF-UHFFFAOYSA-N 0 0 328.459 1.429 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCSc1ccccn1)CC2 ZINC000154994354 138527240 /nfs/dbraw/zinc/52/72/40/138527240.db2.gz SVQUTBLURPDFSM-LBPRGKRZSA-N 0 0 331.445 1.849 10 0 EDAERN O=CN1CCN(C(=O)[C@@H](Cc2ccccn2)c2ccc(F)cc2)CC1 ZINC000036150905 213073048 /nfs/dbraw/zinc/07/30/48/213073048.db2.gz FYAKKFSMCNLMNJ-SFHVURJKSA-N 0 0 341.386 1.848 10 0 EDAERN NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000036135611 213073074 /nfs/dbraw/zinc/07/30/74/213073074.db2.gz UYNYNYHSBZKCSE-UHFFFAOYSA-N 0 0 348.399 1.601 10 0 EDAERN Cc1cc(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)no1 ZINC000036135290 213072422 /nfs/dbraw/zinc/07/24/22/213072422.db2.gz FSCPFQZUZAXVCB-UHFFFAOYSA-N 0 0 335.385 1.023 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)(C)CO1 ZINC000036102413 213067018 /nfs/dbraw/zinc/06/70/18/213067018.db2.gz JSHPPJLUKPGVDD-GFCCVEGCSA-N 0 0 340.445 1.576 10 0 EDAERN Nc1ccc([C@@H](O)Cn2cc(I)cn2)cc1 ZINC000070677222 215704529 /nfs/dbraw/zinc/70/45/29/215704529.db2.gz VBYCBBFVCCDGOQ-NSHDSACASA-N 0 0 329.141 1.804 10 0 EDAERN O=C([O-])[C@H](CCn1cc(I)cn1)[NH2+]C1CC1 ZINC000070678678 215705916 /nfs/dbraw/zinc/70/59/16/215705916.db2.gz XMDXENCRPUQOGT-VIFPVBQESA-N 0 0 335.145 1.083 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)sc1Cl ZINC000187932691 236347015 /nfs/dbraw/zinc/34/70/15/236347015.db2.gz PRCXHEIQSNGVLC-MRVPVSSYSA-N 0 0 332.838 1.595 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)CCc3cscn3)CC2)no1 ZINC000171863977 138661617 /nfs/dbraw/zinc/66/16/17/138661617.db2.gz LZBLTTFLHZKZKA-UHFFFAOYSA-N 0 0 335.433 1.502 10 0 EDAERN CN(CC(=O)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000035020617 213005115 /nfs/dbraw/zinc/00/51/15/213005115.db2.gz OYTWUWSNAOPOHZ-JTQLQIEISA-N 0 0 346.246 1.751 10 0 EDAERN COC(=O)[C@@H](C)CN(CCO)C(=O)c1ccc(Br)cc1 ZINC000071609276 215788267 /nfs/dbraw/zinc/78/82/67/215788267.db2.gz ICGPYZGYFTUWIB-JTQLQIEISA-N 0 0 344.205 1.693 10 0 EDAERN COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2ccccc2N)cc1 ZINC000071709996 215797693 /nfs/dbraw/zinc/79/76/93/215797693.db2.gz LTYZFSXFOFYGRD-LLVKDONJSA-N 0 0 334.397 1.776 10 0 EDAERN O=C(NCc1cccc(N2CC=CC2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000175116303 138691765 /nfs/dbraw/zinc/69/17/65/138691765.db2.gz ZNPDKAZCRJHZJG-OAHLLOKOSA-N 0 0 338.415 1.469 10 0 EDAERN Cc1ccc(O[C@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000175114399 138691778 /nfs/dbraw/zinc/69/17/78/138691778.db2.gz XSUDUSKDIDQOLB-KGLIPLIRSA-N 0 0 329.404 1.668 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC(NC(N)=O)CC1 ZINC000176446289 138709153 /nfs/dbraw/zinc/70/91/53/138709153.db2.gz OHVXGJDVYLBTSV-CYBMUJFWSA-N 0 0 334.420 1.434 10 0 EDAERN O=C(CSCC(=O)c1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000176129891 138704651 /nfs/dbraw/zinc/70/46/51/138704651.db2.gz FKJDZFCRMBDXRK-CYBMUJFWSA-N 0 0 330.413 1.845 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccnc(OCCOC)c1 ZINC000181760420 138771457 /nfs/dbraw/zinc/77/14/57/138771457.db2.gz JKFZONNXTVFVAP-ZDUSSCGKSA-N 0 0 345.403 1.526 10 0 EDAERN CC(=O)Nc1nc(C(=O)[O-])c(C[N@H+](C)CCc2ccncc2)s1 ZINC000036317354 213084337 /nfs/dbraw/zinc/08/43/37/213084337.db2.gz YCPMCUFWWSLWQL-UHFFFAOYSA-N 0 0 334.401 1.869 10 0 EDAERN COc1cccc(CNS(=O)(=O)c2cnn(-c3ccccn3)c2)c1 ZINC000072238938 216077567 /nfs/dbraw/zinc/07/75/67/216077567.db2.gz XLYSQVUPGCQGQC-UHFFFAOYSA-N 0 0 344.396 1.754 10 0 EDAERN COc1cccc(CNC(=O)CN2CCOC[C@H]2c2nc(C)no2)c1 ZINC000185079367 138800918 /nfs/dbraw/zinc/80/09/18/138800918.db2.gz LPRTZODHDDJFPG-HNNXBMFYSA-N 0 0 346.387 1.076 10 0 EDAERN O=C(NC1CN(C(=O)NCc2cnn(-c3ccccc3)c2)C1)C1CC1 ZINC000190106524 238221054 /nfs/dbraw/zinc/22/10/54/238221054.db2.gz MMJAZDHAOVXESI-UHFFFAOYSA-N 0 0 339.399 1.292 10 0 EDAERN CCn1nc(C)c(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000190153213 238254791 /nfs/dbraw/zinc/25/47/91/238254791.db2.gz NINVEPGOLLFLIV-CQSZACIVSA-N 0 0 344.419 1.935 10 0 EDAERN Cc1c2c(cc(=O)n1CC[NH+](C)C)[n-]n(-c1cc(F)cc(F)c1)c2=O ZINC000072446200 216235889 /nfs/dbraw/zinc/23/58/89/216235889.db2.gz HJXBXDSOVDTHQF-UHFFFAOYSA-N 0 0 348.353 1.629 10 0 EDAERN COC(=O)c1c(C)nc(C)c2c1ccn(-c1ncccc1O)c2=O ZINC000072452177 216239547 /nfs/dbraw/zinc/23/95/47/216239547.db2.gz PSPOWCANKWMYEO-UHFFFAOYSA-N 0 0 325.324 1.890 10 0 EDAERN O=C(C[C@@H]1CSCCS1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000152120739 223913292 /nfs/dbraw/zinc/91/32/92/223913292.db2.gz IJNZNQUKGRDZLP-QWHCGFSZSA-N 0 0 338.502 1.800 10 0 EDAERN CNS(=O)(=O)CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130153044 283613157 /nfs/dbraw/zinc/61/31/57/283613157.db2.gz PHBIJUCILRTJAJ-ZDUSSCGKSA-N 0 0 338.429 1.488 10 0 EDAERN COc1ccccc1CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000025904275 212500794 /nfs/dbraw/zinc/50/07/94/212500794.db2.gz FTXBVGLDKCDZRC-CQSZACIVSA-N 0 0 340.445 1.026 10 0 EDAERN COc1cccc(CO[C@H](C)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188560483 138844891 /nfs/dbraw/zinc/84/48/91/138844891.db2.gz LLRGIVQLKMQPEY-CYBMUJFWSA-N 0 0 346.427 1.727 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000188579739 138845280 /nfs/dbraw/zinc/84/52/80/138845280.db2.gz LXYIMTMERNZDJP-YJBOKZPZSA-N 0 0 349.450 1.879 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(c3ncc(C(N)=O)cc3Cl)CCO2)n1 ZINC000108951099 219935800 /nfs/dbraw/zinc/93/58/00/219935800.db2.gz PMUOITWVYGWEQX-CYBMUJFWSA-N 0 0 349.822 1.553 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000189059278 138859770 /nfs/dbraw/zinc/85/97/70/138859770.db2.gz CYRFDLKAALPIDX-AWEZNQCLSA-N 0 0 334.449 1.425 10 0 EDAERN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189371984 138869559 /nfs/dbraw/zinc/86/95/59/138869559.db2.gz BACULJLZYMQROQ-LBPRGKRZSA-N 0 0 335.448 1.199 10 0 EDAERN CCOc1ccc(C(=O)CCC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189359047 138868958 /nfs/dbraw/zinc/86/89/58/138868958.db2.gz UPBVIPAQBUKIKS-UHFFFAOYSA-N 0 0 344.411 1.785 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 ZINC000075520137 216628328 /nfs/dbraw/zinc/62/83/28/216628328.db2.gz QBTCPYRNWCTJTP-MFKMUULPSA-N 0 0 345.428 1.684 10 0 EDAERN CN(CC(=O)N[C@@H]1CCCn2ncnc21)C(=O)OCc1ccccc1 ZINC000191279533 138909485 /nfs/dbraw/zinc/90/94/85/138909485.db2.gz FQEZNJFAXIAPDP-CQSZACIVSA-N 0 0 343.387 1.498 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000191814023 138925033 /nfs/dbraw/zinc/92/50/33/138925033.db2.gz BYEPGJBZFWQDNS-MNOVXSKESA-N 0 0 326.334 1.846 10 0 EDAERN COCCNC(=O)[C@@H](C)Nc1ccc(I)cc1 ZINC000020313969 212117470 /nfs/dbraw/zinc/11/74/70/212117470.db2.gz YEWDIGPBNQCFEZ-SECBINFHSA-N 0 0 348.184 1.854 10 0 EDAERN CCN(CC)Cc1nc2sc3c(c2c(=O)n1CC(N)=O)CCCC3 ZINC000020161146 212108195 /nfs/dbraw/zinc/10/81/95/212108195.db2.gz AMDUNKUHXZJVCW-UHFFFAOYSA-N 0 0 348.472 1.664 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)sc1C ZINC000192880943 138956067 /nfs/dbraw/zinc/95/60/67/138956067.db2.gz HLLRCYQYBKFXNC-LBPRGKRZSA-N 0 0 333.417 1.796 10 0 EDAERN C[C@H](CC(=O)Nc1cc(-c2nccn2C)nn1C)N1CCCCC1=O ZINC000193583534 138972842 /nfs/dbraw/zinc/97/28/42/138972842.db2.gz KBZYLQHXIITXBT-GFCCVEGCSA-N 0 0 344.419 1.550 10 0 EDAERN COC(=O)c1ccnc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000193798636 138978516 /nfs/dbraw/zinc/97/85/16/138978516.db2.gz YCZONCJLFDFOPM-CYBMUJFWSA-N 0 0 329.360 1.761 10 0 EDAERN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCn2cccc2[C@@H]1C ZINC000019730676 212058885 /nfs/dbraw/zinc/05/88/85/212058885.db2.gz RDTIPNCYANDGEA-NSHDSACASA-N 0 0 349.412 1.361 10 0 EDAERN O=C(c1c(Cl)cccc1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000093295262 296159815 /nfs/dbraw/zinc/15/98/15/296159815.db2.gz FBNUXEHUIGNFPT-CYBMUJFWSA-N 0 0 328.155 1.418 10 0 EDAERN CCn1cc([C@H](C)n2ncc(I)c2N)cn1 ZINC000044500819 213630110 /nfs/dbraw/zinc/63/01/10/213630110.db2.gz PVQLDBAMNZOUFA-ZETCQYMHSA-N 0 0 331.161 1.896 10 0 EDAERN Cc1[nH]nc2ncc(C(=O)N[C@@H]3CCc4nnc(C(C)C)n4C3)cc12 ZINC000195287244 139012623 /nfs/dbraw/zinc/01/26/23/139012623.db2.gz BKTSBZCQAINZOM-GFCCVEGCSA-N 0 0 339.403 1.726 10 0 EDAERN COC(=O)CCNC(=O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195327169 139014574 /nfs/dbraw/zinc/01/45/74/139014574.db2.gz ZTNDUIRVUGQZRG-GFCCVEGCSA-N 0 0 325.434 1.310 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)CC2 ZINC000195405167 139015892 /nfs/dbraw/zinc/01/58/92/139015892.db2.gz AQSQVKWBZDQFFG-CZUORRHYSA-N 0 0 347.463 1.480 10 0 EDAERN CCNC(=O)NC(=O)[C@@H](C)Oc1c(Br)cccc1C=O ZINC000048796224 213965842 /nfs/dbraw/zinc/96/58/42/213965842.db2.gz DXLXSPKNZJYBPU-MRVPVSSYSA-N 0 0 343.177 1.875 10 0 EDAERN O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1ncccn1 ZINC000049389054 214005273 /nfs/dbraw/zinc/00/52/73/214005273.db2.gz LENCNDOVYXEQSO-UHFFFAOYSA-N 0 0 341.327 1.086 10 0 EDAERN Cc1nnc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)o1 ZINC000049705313 214027585 /nfs/dbraw/zinc/02/75/85/214027585.db2.gz KHWKIHLNVJTMJE-UHFFFAOYSA-N 0 0 329.360 1.046 10 0 EDAERN CC(C)c1nnc(C(=O)N2CCN(C(=O)Cc3cccs3)CC2)o1 ZINC000049705753 214027772 /nfs/dbraw/zinc/02/77/72/214027772.db2.gz FXCVNTCWKMWWIR-UHFFFAOYSA-N 0 0 348.428 1.782 10 0 EDAERN CC(C)CCOCCNC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000195521863 139020016 /nfs/dbraw/zinc/02/00/16/139020016.db2.gz IPYYJBVNNONWBH-CQSZACIVSA-N 0 0 341.477 1.695 10 0 EDAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1cccs1 ZINC000017842470 211972826 /nfs/dbraw/zinc/97/28/26/211972826.db2.gz XGYOYEPBEIUHFZ-SECBINFHSA-N 0 0 330.417 1.805 10 0 EDAERN Cc1ccc(C2(C(=O)NC[C@@H]3CN(C)CCO3)CCOCC2)cc1 ZINC000110673410 220054566 /nfs/dbraw/zinc/05/45/66/220054566.db2.gz BIFPWXBELYPCHW-QGZVFWFLSA-N 0 0 332.444 1.490 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(Cl)nc3)CC2)n1 ZINC000110897384 220076583 /nfs/dbraw/zinc/07/65/83/220076583.db2.gz ZVPWCZSGVHZPOK-JTQLQIEISA-N 0 0 335.795 1.945 10 0 EDAERN O=C(Cc1[nH]nc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111079074 220096533 /nfs/dbraw/zinc/09/65/33/220096533.db2.gz GAOAZQGVACFILU-ZDUSSCGKSA-N 0 0 325.372 1.230 10 0 EDAERN COc1ccc(SCC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111080209 220096565 /nfs/dbraw/zinc/09/65/65/220096565.db2.gz WPLPLUNAMZNUDT-HNNXBMFYSA-N 0 0 347.440 1.911 10 0 EDAERN CN(CCNC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111808736 220195005 /nfs/dbraw/zinc/19/50/05/220195005.db2.gz ZAOCSXBINQSZIM-KRWDZBQOSA-N 0 0 343.431 1.430 10 0 EDAERN CC(C)NC(=O)CCNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111812782 220196370 /nfs/dbraw/zinc/19/63/70/220196370.db2.gz HSKUHSMQVZUQGY-LLVKDONJSA-N 0 0 326.422 1.141 10 0 EDAERN CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000081442630 217398902 /nfs/dbraw/zinc/39/89/02/217398902.db2.gz LKAQUIFYBHOZEB-HOCLYGCPSA-N 0 0 347.459 1.590 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)NOCc3ccccc3)CC2)n1 ZINC000111855623 220208861 /nfs/dbraw/zinc/20/88/61/220208861.db2.gz OXTWJEVNXBVYJC-CYBMUJFWSA-N 0 0 345.403 1.898 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(C)(C)NC(=O)OC(C)(C)C ZINC000081814417 217448474 /nfs/dbraw/zinc/44/84/74/217448474.db2.gz ATWGBWWVOIJKHO-LLVKDONJSA-N 0 0 337.424 1.841 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)Nc3ccncc3)CC2)n1 ZINC000112103804 220242745 /nfs/dbraw/zinc/24/27/45/220242745.db2.gz DUOZJBRIMHETTB-LBPRGKRZSA-N 0 0 330.392 1.938 10 0 EDAERN COc1ncccc1CNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112106553 220244350 /nfs/dbraw/zinc/24/43/50/220244350.db2.gz TWMSXHPESKAAJQ-HNNXBMFYSA-N 0 0 345.403 1.206 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCc3ccc(Cl)nc3)CCO2)c1 ZINC000112107596 220244569 /nfs/dbraw/zinc/24/45/69/220244569.db2.gz WJXWVBSVRBJQLF-AWEZNQCLSA-N 0 0 349.822 1.851 10 0 EDAERN COc1cc2c(c(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000245710688 139084104 /nfs/dbraw/zinc/08/41/04/139084104.db2.gz FVXCMFZZVMUCDQ-KKUMJFAQSA-N 0 0 334.460 1.906 10 0 EDAERN COCC[N@@H+]1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)C[C@H]1C ZINC000245778403 139085836 /nfs/dbraw/zinc/08/58/36/139085836.db2.gz QEHQMZVHNWBLRC-HZPDHXFCSA-N 0 0 347.459 1.560 10 0 EDAERN OC[C@H]1CCCN1c1cc(NCCCOC[C@H]2CCCO2)ncn1 ZINC000246078916 139094102 /nfs/dbraw/zinc/09/41/02/139094102.db2.gz FQEQAKLNVDHTCU-HUUCEWRRSA-N 0 0 336.436 1.435 10 0 EDAERN CCOC(=O)c1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)o1 ZINC000246201527 139098888 /nfs/dbraw/zinc/09/88/88/139098888.db2.gz MQJNNNTYBWFHOT-LBPRGKRZSA-N 0 0 342.417 1.315 10 0 EDAERN CCCN(CC)c1ccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000246649546 139116370 /nfs/dbraw/zinc/11/63/70/139116370.db2.gz GHGVTZLPTBPWNY-HOTGVXAUSA-N 0 0 348.491 1.845 10 0 EDAERN COCCCNC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 ZINC000013615173 211593076 /nfs/dbraw/zinc/59/30/76/211593076.db2.gz SKRGVLOWKDMTEI-UHFFFAOYSA-N 0 0 335.429 1.676 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1CC ZINC000246945333 139128037 /nfs/dbraw/zinc/12/80/37/139128037.db2.gz CNBMOSDGCFMETE-HZPDHXFCSA-N 0 0 348.509 1.318 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N2CCc3ccccc32)C[C@@H]1C ZINC000247169617 139138614 /nfs/dbraw/zinc/13/86/14/139138614.db2.gz MWFZWECEZBDUOV-JKSUJKDBSA-N 0 0 331.460 1.617 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccc(F)cc2)C[C@H]1C ZINC000247249374 139142458 /nfs/dbraw/zinc/14/24/58/139142458.db2.gz XQRCSBGOCOYMKR-CQSZACIVSA-N 0 0 344.452 1.698 10 0 EDAERN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247254716 139142756 /nfs/dbraw/zinc/14/27/56/139142756.db2.gz ZFOCVOAIYAGGSU-BRWVUGGUSA-N 0 0 333.407 1.798 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000248657049 139170549 /nfs/dbraw/zinc/17/05/49/139170549.db2.gz WYNQLOMQQJQCIE-ZNMIVQPWSA-N 0 0 344.477 1.769 10 0 EDAERN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091783061 218065996 /nfs/dbraw/zinc/06/59/96/218065996.db2.gz VLWAOMLAYDQDOK-ZDUSSCGKSA-N 0 0 345.424 1.369 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000091783288 218066218 /nfs/dbraw/zinc/06/62/18/218066218.db2.gz XMTCHNIHPIFQFX-LBPRGKRZSA-N 0 0 328.821 1.286 10 0 EDAERN Cc1cc(C)cc(N2C[C@@H](C(=O)N[C@H]3CCSC3=O)CC2=O)c1 ZINC000011355906 211213806 /nfs/dbraw/zinc/21/38/06/211213806.db2.gz QFTRELMENNPJAS-JSGCOSHPSA-N 0 0 332.425 1.805 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000092229055 218127477 /nfs/dbraw/zinc/12/74/77/218127477.db2.gz SAADEHIMUDIBBA-NSHDSACASA-N 0 0 329.187 1.327 10 0 EDAERN Cc1ccc(-c2noc(CCCN3CCOC[C@@H]3C(N)=O)n2)cc1F ZINC000092229736 218128011 /nfs/dbraw/zinc/12/80/11/218128011.db2.gz KGUUNYNIPLMAON-CQSZACIVSA-N 0 0 348.378 1.303 10 0 EDAERN Cn1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c(C(C)(C)C)n1 ZINC000092244928 218129288 /nfs/dbraw/zinc/12/92/88/218129288.db2.gz PQGVYWOMXYTSOT-ZDUSSCGKSA-N 0 0 342.447 1.906 10 0 EDAERN COC(=O)C1CCN(C(=O)Cc2csc(NC(C)=O)n2)CC1 ZINC000009814448 211124270 /nfs/dbraw/zinc/12/42/70/211124270.db2.gz HFXQHCOUNUCPCW-UHFFFAOYSA-N 0 0 325.390 1.056 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)N3CCC[C@H]3C)CCO2)n1 ZINC000249295234 139190562 /nfs/dbraw/zinc/19/05/62/139190562.db2.gz QUJUDWTUTNSXOZ-VXGBXAGGSA-N 0 0 331.463 1.554 10 0 EDAERN Cc1ccc(OCc2nc([C@H]3NC(=O)[C@@H]4COCCN43)cs2)cc1 ZINC000093883397 218255599 /nfs/dbraw/zinc/25/55/99/218255599.db2.gz FVWBMUHNXYYOAZ-HOCLYGCPSA-N 0 0 345.424 1.860 10 0 EDAERN NC(=O)c1cc(Cl)nnc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249476137 139193785 /nfs/dbraw/zinc/19/37/85/139193785.db2.gz UHAVJERTZMMQIY-ONGXEEELSA-N 0 0 338.820 1.503 10 0 EDAERN C[C@H](C(=O)Nc1ncccn1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249553852 139195462 /nfs/dbraw/zinc/19/54/62/139195462.db2.gz IZUJKZZDZBNQGN-XBFCOCLRSA-N 0 0 332.429 1.573 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000249686149 139196988 /nfs/dbraw/zinc/19/69/88/139196988.db2.gz OEWOVZBYVCCFLG-IEBWSBKVSA-N 0 0 329.444 1.854 10 0 EDAERN CN(C[C@H](O)COCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000249689592 139197255 /nfs/dbraw/zinc/19/72/55/139197255.db2.gz WYVYLDLTYPLGSW-GJZGRUSLSA-N 0 0 347.864 1.336 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)N3CCN4CCCC[C@H]4C3)ccc2o1 ZINC000249760461 139198329 /nfs/dbraw/zinc/19/83/29/139198329.db2.gz MMFHWOHFBJSMEY-AWEZNQCLSA-N 0 0 348.424 1.652 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2ncccn2)C1 ZINC000095085518 218276557 /nfs/dbraw/zinc/27/65/57/218276557.db2.gz NUYFFIOGSFDSHH-LBPRGKRZSA-N 0 0 341.433 1.897 10 0 EDAERN CC(C)(C)OC(=O)NCC1CCN(CC(=O)c2cnccn2)CC1 ZINC000095087846 218278654 /nfs/dbraw/zinc/27/86/54/218278654.db2.gz URTXSQVGLRPVHL-UHFFFAOYSA-N 0 0 334.420 1.896 10 0 EDAERN O=C(Nc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1)c1ccco1 ZINC000008907009 211017282 /nfs/dbraw/zinc/01/72/82/211017282.db2.gz PKAVKRURXVIYEP-UHFFFAOYSA-N 0 0 340.295 1.161 10 0 EDAERN CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262087210 139249890 /nfs/dbraw/zinc/24/98/90/139249890.db2.gz CANJHIGPMOGIQJ-IAGOWNOFSA-N 0 0 346.427 1.599 10 0 EDAERN Cc1noc(C[C@]23COC[C@H]2CN(C(=O)c2cccc(C)n2)C3)n1 ZINC000096209095 218685975 /nfs/dbraw/zinc/68/59/75/218685975.db2.gz KJSBSSYBEJFRFI-DYVFJYSZSA-N 0 0 328.372 1.413 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N[C@H]1COc2ccccc21 ZINC000152747275 224007354 /nfs/dbraw/zinc/00/73/54/224007354.db2.gz BBKPIDUEJWXZHC-JTQLQIEISA-N 0 0 325.777 1.729 10 0 EDAERN CCN(Cc1ccccc1NC(=O)NC[C@@H]1CN(C)CCO1)C(C)=O ZINC000105281708 285119170 /nfs/dbraw/zinc/11/91/70/285119170.db2.gz TZJUETGQWXKWGF-MRXNPFEDSA-N 0 0 348.447 1.507 10 0 EDAERN Cc1c(C(=O)N[C@H]2CCc3ncnn3C2)cnn1-c1ccccc1F ZINC000112647753 220362136 /nfs/dbraw/zinc/36/21/36/220362136.db2.gz XWRUVXXLFBFUIJ-LBPRGKRZSA-N 0 0 340.362 1.656 10 0 EDAERN CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112657872 220367422 /nfs/dbraw/zinc/36/74/22/220367422.db2.gz JGHRBSZBJUCYRY-CQSZACIVSA-N 0 0 342.403 1.553 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000112656920 220367448 /nfs/dbraw/zinc/36/74/48/220367448.db2.gz XRXNTAPCBNSFGV-ZDUSSCGKSA-N 0 0 342.790 1.862 10 0 EDAERN O=C(NCCCn1ccc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000112739429 220391559 /nfs/dbraw/zinc/39/15/59/220391559.db2.gz OBXGNOSLZZFSHZ-HNNXBMFYSA-N 0 0 338.415 1.937 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000187702809 533122628 /nfs/dbraw/zinc/12/26/28/533122628.db2.gz DUVGUFAWXKSWSK-MRXNPFEDSA-N 0 0 333.344 1.816 10 0 EDAERN C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(F)c(Cl)c1 ZINC000113382700 220530150 /nfs/dbraw/zinc/53/01/50/220530150.db2.gz KPRMSKULCUADHW-QMMMGPOBSA-N 0 0 342.758 1.391 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CCOc1cccc(S(C)(=O)=O)c1 ZINC000154138111 224209315 /nfs/dbraw/zinc/20/93/15/224209315.db2.gz OKUGCASHMBQJAO-OAHLLOKOSA-N 0 0 340.445 1.022 10 0 EDAERN CN(C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000115205006 220817535 /nfs/dbraw/zinc/81/75/35/220817535.db2.gz ZDZQBGFYOMNZCR-DOTOQJQBSA-N 0 0 326.400 1.993 10 0 EDAERN CC(C)n1nnnc1CN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115571084 220873897 /nfs/dbraw/zinc/87/38/97/220873897.db2.gz GLJDTQUETSRRQR-HNNXBMFYSA-N 0 0 328.420 1.881 10 0 EDAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N[C@@H](C)C1CC1 ZINC000117059671 221029721 /nfs/dbraw/zinc/02/97/21/221029721.db2.gz HCWRPQKZWLJRRK-NSHDSACASA-N 0 0 338.429 1.393 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000117369891 221058794 /nfs/dbraw/zinc/05/87/94/221058794.db2.gz QCLQTUDCVVVAOV-LBPRGKRZSA-N 0 0 332.853 1.681 10 0 EDAERN COCCN1CCN(C(=O)Cc2sc(=S)[nH]c2C)C[C@H]1C ZINC000117292917 221045959 /nfs/dbraw/zinc/04/59/59/221045959.db2.gz WOHRZWXVEKMCOR-SNVBAGLBSA-N 0 0 329.491 1.836 10 0 EDAERN CC[C@H]1CN(C(=O)c2cnc3ccccc3c2O)CCN1CCOC ZINC000117307732 221051734 /nfs/dbraw/zinc/05/17/34/221051734.db2.gz FAPLXQJMORBQRK-AWEZNQCLSA-N 0 0 343.427 1.711 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C)CCN1CCOC ZINC000117526528 221074214 /nfs/dbraw/zinc/07/42/14/221074214.db2.gz GVBQRDYUBSVADV-MRXNPFEDSA-N 0 0 347.459 1.811 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000117810955 221092227 /nfs/dbraw/zinc/09/22/27/221092227.db2.gz OLRWYNFAVMRAMJ-CQSZACIVSA-N 0 0 336.436 1.955 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2OC(F)F)c1 ZINC000118132803 221128636 /nfs/dbraw/zinc/12/86/36/221128636.db2.gz BTVQFVFQZQJPKJ-UHFFFAOYSA-N 0 0 338.314 1.548 10 0 EDAERN Cc1cccnc1CNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000154755877 224300929 /nfs/dbraw/zinc/30/09/29/224300929.db2.gz QCJNAHMLPFNUOS-UHFFFAOYSA-N 0 0 326.404 1.966 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCOc2ccccc21 ZINC000155328091 224398507 /nfs/dbraw/zinc/39/85/07/224398507.db2.gz MFRIUHZJLMJRRR-UONOGXRCSA-N 0 0 342.399 1.942 10 0 EDAERN Cc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CCOCC2)nn1 ZINC000247946219 257672685 /nfs/dbraw/zinc/67/26/85/257672685.db2.gz WLYRBAQCKHJGNH-HZPDHXFCSA-N 0 0 330.432 1.781 10 0 EDAERN COc1cc(OC)nc(NC(=O)Nc2ncccc2C(=O)N(C)C)n1 ZINC000504096837 257725624 /nfs/dbraw/zinc/72/56/24/257725624.db2.gz XBZZDWUQLUFPQY-UHFFFAOYSA-N 0 0 346.347 1.235 10 0 EDAERN COCCOc1ccc(F)cc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000131805666 533248476 /nfs/dbraw/zinc/24/84/76/533248476.db2.gz QFCWQSXBOSVCHS-LBPRGKRZSA-N 0 0 349.366 1.579 10 0 EDAERN COC(=O)[C@H](O)CNC(=O)c1cc(Cl)ccc1Br ZINC000154305560 533363409 /nfs/dbraw/zinc/36/34/09/533363409.db2.gz DZDCQCQRRTVTQE-SECBINFHSA-N 0 0 336.569 1.366 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC(C)(C)C1 ZINC000187640420 533330513 /nfs/dbraw/zinc/33/05/13/533330513.db2.gz RJCPBBWZFNOHTQ-GFCCVEGCSA-N 0 0 349.456 1.762 10 0 EDAERN COc1cc(C(=O)N[C@H](C)c2cccs2)sc1S(N)(=O)=O ZINC000175773625 533552700 /nfs/dbraw/zinc/55/27/00/533552700.db2.gz IVWOEHBEILWWQE-SSDOTTSWSA-N 0 0 346.455 1.957 10 0 EDAERN COc1cc(C)cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1O ZINC000131999763 533617762 /nfs/dbraw/zinc/61/77/62/533617762.db2.gz VCOCOHXNWUEHRM-CYBMUJFWSA-N 0 0 330.388 1.853 10 0 EDAERN Nc1c(N2CCCC2)ncnc1N1CCN(c2ccccn2)CC1 ZINC000040724528 132406545 /nfs/dbraw/zinc/40/65/45/132406545.db2.gz FTARVGTWYUTPLX-UHFFFAOYSA-N 0 0 325.420 1.381 10 0 EDAERN CCN1c2ncccc2O[C@](C)(C(=O)NCc2ccccc2)C1=O ZINC000065241841 132808324 /nfs/dbraw/zinc/80/83/24/132808324.db2.gz AFCNSQWNKRNIAG-GOSISDBHSA-N 0 0 325.368 1.902 10 0 EDAERN Cc1cc(CN2CCN(C(=O)C[C@@H](C)N3CCCCC3=O)CC2)no1 ZINC000328726927 140672648 /nfs/dbraw/zinc/67/26/48/140672648.db2.gz ZYFGGLQCSOPGHH-CQSZACIVSA-N 0 0 348.447 1.418 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C[C@@H]1O ZINC000329677040 140750179 /nfs/dbraw/zinc/75/01/79/140750179.db2.gz UZGYHYJFGNEQES-ALYAQQCSSA-N 0 0 344.459 1.843 10 0 EDAERN CC(=O)N1C[C@@H](CCC(=O)N2CCO[C@H](CO)C2)c2ccccc21 ZINC000329801463 140765342 /nfs/dbraw/zinc/76/53/42/140765342.db2.gz JPOXNJGLAYABRZ-CABCVRRESA-N 0 0 332.400 1.137 10 0 EDAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)C1(O)CCCC1 ZINC000329925823 140782702 /nfs/dbraw/zinc/78/27/02/140782702.db2.gz KCRWEOXODYCTAQ-STQMWFEESA-N 0 0 341.452 1.819 10 0 EDAERN C[C@@H]1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@@H]1O ZINC000333014076 141250150 /nfs/dbraw/zinc/25/01/50/141250150.db2.gz BTKZWGCMOHPXDF-DOMZBBRYSA-N 0 0 333.413 1.535 10 0 EDAERN O=S(=O)(C1CC1)N1CCC[C@@H](Nc2cnc3c(n2)CCCC3)C1 ZINC000333617360 141345802 /nfs/dbraw/zinc/34/58/02/141345802.db2.gz YYGHEOYCECMIPQ-GFCCVEGCSA-N 0 0 336.461 1.724 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)CC1 ZINC000333703585 141361736 /nfs/dbraw/zinc/36/17/36/141361736.db2.gz FFQZVVHIMHAFIR-FUHWJXTLSA-N 0 0 337.464 1.844 10 0 EDAERN CO[C@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@@H]1OC ZINC000333724778 141366791 /nfs/dbraw/zinc/36/67/91/141366791.db2.gz VTWHAODSWOZTKN-RYUDHWBXSA-N 0 0 341.433 1.915 10 0 EDAERN COc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083755003 286212204 /nfs/dbraw/zinc/21/22/04/286212204.db2.gz VLILHCBRCQSGJW-ZDUSSCGKSA-N 0 0 343.387 1.493 10 0 EDAERN COc1ccc(C(C)(C)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000162021629 286290718 /nfs/dbraw/zinc/29/07/18/286290718.db2.gz GKFBKFYZIQHLMV-INIZCTEOSA-N 0 0 332.444 1.906 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2c(C)nn(C)c2OC)C12CCOCC2 ZINC000187069103 286380202 /nfs/dbraw/zinc/38/02/02/286380202.db2.gz IJKDDFUIGRROPS-QWHCGFSZSA-N 0 0 337.420 1.441 10 0 EDAERN COc1sc([C@H]2NC(=O)[C@@H]3COCCN32)cc1Br ZINC000093883812 286584102 /nfs/dbraw/zinc/58/41/02/286584102.db2.gz FQJDZRFCEZUJRW-CBAPKCEASA-N 0 0 333.207 1.348 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000189305657 287180391 /nfs/dbraw/zinc/18/03/91/287180391.db2.gz ZWRGXEHPGXYLHY-SECBINFHSA-N 0 0 332.429 1.184 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(OC)nc1 ZINC000073568080 287261033 /nfs/dbraw/zinc/26/10/33/287261033.db2.gz MUDLRZXRCMPULA-CQSZACIVSA-N 0 0 334.420 1.633 10 0 EDAERN CN(CC1CC1)C(=O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076008713 287280487 /nfs/dbraw/zinc/28/04/87/287280487.db2.gz UGHFAGNEJHEHBD-AWEZNQCLSA-N 0 0 325.453 1.844 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000157602638 224854269 /nfs/dbraw/zinc/85/42/69/224854269.db2.gz LFEAQSMLGXKEQX-MWLCHTKSSA-N 0 0 348.325 1.051 10 0 EDAERN [NH3+][C@@H](Cc1cn(-c2cc(Br)ccc2Cl)nn1)C(=O)[O-] ZINC000157604908 224855163 /nfs/dbraw/zinc/85/51/63/224855163.db2.gz WMJISMNINOYSPM-VIFPVBQESA-N 0 0 345.584 1.638 10 0 EDAERN O=c1c(I)cncn1Cc1ccc(CO)cc1 ZINC000157990762 224928121 /nfs/dbraw/zinc/92/81/21/224928121.db2.gz BBDBZCBNTVIXFB-UHFFFAOYSA-N 0 0 342.136 1.389 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1N1CCCC1 ZINC000158479812 225024380 /nfs/dbraw/zinc/02/43/80/225024380.db2.gz WDJJCGGMRIGWER-YOEHRIQHSA-N 0 0 345.443 1.893 10 0 EDAERN Cn1cc(CCCNC(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000158684099 225066337 /nfs/dbraw/zinc/06/63/37/225066337.db2.gz LXWWTBXBKASSIH-UHFFFAOYSA-N 0 0 330.436 1.675 10 0 EDAERN C[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[S@@](C)=O ZINC000159602512 225247291 /nfs/dbraw/zinc/24/72/91/225247291.db2.gz HTHDGERWNQKBFQ-DMWPKQFHSA-N 0 0 341.867 1.095 10 0 EDAERN Cc1ccc(Br)c(NC(=O)C(=O)NCC(N)=S)c1 ZINC000164009614 226037085 /nfs/dbraw/zinc/03/70/85/226037085.db2.gz CZNMPACLLZIOGR-UHFFFAOYSA-N 0 0 330.207 1.098 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)c1cc(Br)ccc1F ZINC000167119264 226180601 /nfs/dbraw/zinc/18/06/01/226180601.db2.gz MNILTUDNJSYLAT-SNVBAGLBSA-N 0 0 338.198 1.533 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c(F)c1 ZINC000165501341 226127380 /nfs/dbraw/zinc/12/73/80/226127380.db2.gz VWDOOBLDSLXNKS-LLVKDONJSA-N 0 0 345.378 1.878 10 0 EDAERN Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000165541625 226127839 /nfs/dbraw/zinc/12/78/39/226127839.db2.gz CMGWTHAYJCKISK-LLVKDONJSA-N 0 0 345.378 1.878 10 0 EDAERN Cc1c(N)cnc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1Br ZINC000165601106 226130689 /nfs/dbraw/zinc/13/06/89/226130689.db2.gz SXXXGULGSWPOAV-MWLCHTKSSA-N 0 0 339.237 1.840 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)NC[C@@H](O)C2CC2)c1Cl ZINC000165949973 226142711 /nfs/dbraw/zinc/14/27/11/226142711.db2.gz QRCYFYDPXAFMEU-MRVPVSSYSA-N 0 0 325.217 1.625 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(N)cc(Br)c1 ZINC000166153633 226149327 /nfs/dbraw/zinc/14/93/27/226149327.db2.gz WLEPEDIDUVQVON-QPUJVOFHSA-N 0 0 329.194 1.253 10 0 EDAERN C[C@H](O)[C@H]1CCN(S(=O)(=O)CCSc2cccc(N)c2)C1 ZINC000167600007 226195624 /nfs/dbraw/zinc/19/56/24/226195624.db2.gz VPNMUYNZLHUNPQ-RYUDHWBXSA-N 0 0 330.475 1.393 10 0 EDAERN C[C@@H]1C(=O)NCC(=O)N1Cc1cc(Br)cc2c1OCC2 ZINC000167854982 226200488 /nfs/dbraw/zinc/20/04/88/226200488.db2.gz LKLSYBJMSFRAJI-MRVPVSSYSA-N 0 0 339.189 1.231 10 0 EDAERN Nc1ccc(Br)c(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000168340453 226213951 /nfs/dbraw/zinc/21/39/51/226213951.db2.gz LUABWIYGQYONCT-SNVBAGLBSA-N 0 0 338.205 1.478 10 0 EDAERN O=C(N1CCOC[C@@H]1CO)C1(c2ccc(Br)cc2)CC1 ZINC000168571670 226218877 /nfs/dbraw/zinc/21/88/77/226218877.db2.gz GALKRFSJUWLGMV-ZDUSSCGKSA-N 0 0 340.217 1.700 10 0 EDAERN C[C@H](Nc1cccc(Br)c1C(N)=S)C(=O)N(C)C ZINC000168693655 226221219 /nfs/dbraw/zinc/22/12/19/226221219.db2.gz WBCSHIDHYHDULV-ZETCQYMHSA-N 0 0 330.251 1.972 10 0 EDAERN NC(=S)c1c(Br)cccc1N1CCOC[C@H]1CO ZINC000168807668 226222448 /nfs/dbraw/zinc/22/24/48/226222448.db2.gz ZGSGSTILGVCCRH-MRVPVSSYSA-N 0 0 331.235 1.281 10 0 EDAERN COCCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)n(C)n1 ZINC000125156024 287403837 /nfs/dbraw/zinc/40/38/37/287403837.db2.gz REFMVXNGGFYTOJ-ZDUSSCGKSA-N 0 0 344.415 1.733 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000126957992 287430815 /nfs/dbraw/zinc/43/08/15/287430815.db2.gz LZKXUUNQSHYBPI-GOSISDBHSA-N 0 0 349.479 1.433 10 0 EDAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cn1 ZINC000171432226 227077969 /nfs/dbraw/zinc/07/79/69/227077969.db2.gz ZUZNWDFWOPKMSL-HNNXBMFYSA-N 0 0 347.396 1.616 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1nc2ccccc2s1 ZINC000122483743 222097666 /nfs/dbraw/zinc/09/76/66/222097666.db2.gz UXZXEZXIMZZLFC-NSHDSACASA-N 0 0 336.417 1.111 10 0 EDAERN CCOC(=O)NCCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000122310584 222058202 /nfs/dbraw/zinc/05/82/02/222058202.db2.gz YJEXVYWNVZQHQJ-GFCCVEGCSA-N 0 0 337.424 1.359 10 0 EDAERN Cn1ncc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1-n1cccc1 ZINC000123315314 222255786 /nfs/dbraw/zinc/25/57/86/222255786.db2.gz VQSGNJNPPFELDG-HNNXBMFYSA-N 0 0 337.383 1.899 10 0 EDAERN CCn1cc(C2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)CC2)cn1 ZINC000123810715 222336125 /nfs/dbraw/zinc/33/61/25/222336125.db2.gz KOAUTSCCDVXRCK-HNNXBMFYSA-N 0 0 348.447 1.104 10 0 EDAERN CCS(=O)(=O)c1cccc(CC(=O)NCCn2cc(C)cn2)c1 ZINC000123601499 222303611 /nfs/dbraw/zinc/30/36/11/222303611.db2.gz DOWREKAINAJAMK-UHFFFAOYSA-N 0 0 335.429 1.344 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)n(C)n1 ZINC000124233443 222396144 /nfs/dbraw/zinc/39/61/44/222396144.db2.gz NIBNIVPWJMSISG-CYBMUJFWSA-N 0 0 330.392 1.018 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000124256697 222399535 /nfs/dbraw/zinc/39/95/35/222399535.db2.gz BXJPKFOOYHTXJL-SECBINFHSA-N 0 0 327.406 1.310 10 0 EDAERN CCCC[C@@H](COC)NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000133331805 287537991 /nfs/dbraw/zinc/53/79/91/287537991.db2.gz RQZXBISQCCXJEK-JKSUJKDBSA-N 0 0 338.452 1.807 10 0 EDAERN CCn1nc(C)c(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1C ZINC000153228626 287622252 /nfs/dbraw/zinc/62/22/52/287622252.db2.gz LPRVYJMHJYNGQU-UHFFFAOYSA-N 0 0 344.419 1.588 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000153487438 287627244 /nfs/dbraw/zinc/62/72/44/287627244.db2.gz UDSCCWJYKNTQPX-UHFFFAOYSA-N 0 0 344.419 1.367 10 0 EDAERN COc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000193515296 272995077 /nfs/dbraw/zinc/99/50/77/272995077.db2.gz WFOKTEPUURVYCA-GFCCVEGCSA-N 0 0 343.387 1.493 10 0 EDAERN COc1ccc2nc(C)nc(N3CC[C@H](N4CCOCC4)C3)c2c1 ZINC000119792791 274143093 /nfs/dbraw/zinc/14/30/93/274143093.db2.gz RDBLJIOVHKSEQO-AWEZNQCLSA-N 0 0 328.416 1.858 10 0 EDAERN Cc1cc(Br)cnc1N1CCN([C@@H](C)C(N)=O)CC1 ZINC000095431091 274676170 /nfs/dbraw/zinc/67/61/70/274676170.db2.gz BNDHJGHPTMKWMG-JTQLQIEISA-N 0 0 327.226 1.148 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)/C=C\c3cncc(F)c3)CC2)n1 ZINC000255629395 287845818 /nfs/dbraw/zinc/84/58/18/287845818.db2.gz VJNPVCVDOHFXCQ-MVZIDQBPSA-N 0 0 345.378 1.831 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)/C=C\c3cncc(F)c3)CC2)n1 ZINC000255629403 287846113 /nfs/dbraw/zinc/84/61/13/287846113.db2.gz VJNPVCVDOHFXCQ-VSQXVHSFSA-N 0 0 345.378 1.831 10 0 EDAERN CN1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCCN32)CC1 ZINC000021646780 277098660 /nfs/dbraw/zinc/09/86/60/277098660.db2.gz SLWCPUCRCRFLBZ-MRXNPFEDSA-N 0 0 328.416 1.385 10 0 EDAERN COC(=O)c1cc2c(c(OC)c1I)OCO2 ZINC000066347253 277153362 /nfs/dbraw/zinc/15/33/62/277153362.db2.gz ILCYWGZBDGAAKZ-UHFFFAOYSA-N 0 0 336.081 1.815 10 0 EDAERN COc1nc(N2CC[C@H](c3cnn(C)c3)C2)ncc1Br ZINC000176259588 278084856 /nfs/dbraw/zinc/08/48/56/278084856.db2.gz VCGMDZHFCVSVEI-VIFPVBQESA-N 0 0 338.209 1.975 10 0 EDAERN CC(C)[C@@H]1N(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)C[C@@]12CCCO2 ZINC000329356030 280057797 /nfs/dbraw/zinc/05/77/97/280057797.db2.gz ZDQLCSHQDDAHJS-KEYYUXOJSA-N 0 0 341.473 1.617 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccnc1Br ZINC000120328906 289017663 /nfs/dbraw/zinc/01/76/63/289017663.db2.gz QFFWGJIXYDFYTN-SNVBAGLBSA-N 0 0 341.209 1.929 10 0 EDAERN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000247024926 289380087 /nfs/dbraw/zinc/38/00/87/289380087.db2.gz PKGSAOWQQKVGSQ-TZMCWYRMSA-N 0 0 339.386 1.698 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@H](O)C2(C)C)[C@H]1c1ccccc1 ZINC000250111486 289804635 /nfs/dbraw/zinc/80/46/35/289804635.db2.gz SXPDAYQPSLEZCJ-QSJFSLAZSA-N 0 0 330.428 1.872 10 0 EDAERN COc1ccc(C[C@H]2COCC[C@@H]2S(=O)(=O)NC(C)C)cc1 ZINC000095076274 295141638 /nfs/dbraw/zinc/14/16/38/295141638.db2.gz WHNLPJYVCFRASG-HOCLYGCPSA-N 0 0 327.446 1.971 10 0 EDAERN C[C@H](CC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1)N1CCCCC1=O ZINC000328755244 298296933 /nfs/dbraw/zinc/29/69/33/298296933.db2.gz SSYRTFMYJIGUTN-IIDMSEBBSA-N 0 0 338.448 1.574 10 0 EDAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000247404743 300319012 /nfs/dbraw/zinc/31/90/12/300319012.db2.gz PQMIDMVIOJOUIW-STQMWFEESA-N 0 0 337.445 1.367 10 0 EDAERN C[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)CCCNC1=O ZINC000330319600 300755289 /nfs/dbraw/zinc/75/52/89/300755289.db2.gz RJMWIOKABFUIPZ-DFHBCGBQSA-N 0 0 333.432 1.745 10 0 EDAERN NC(=O)[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C(F)(F)F ZINC000299744018 303657285 /nfs/dbraw/zinc/65/72/85/303657285.db2.gz NIGFTPJBONSHPK-NXEZZACHSA-N 0 0 338.289 1.366 10 0 EDAERN O=C(OCCS(=O)(=O)c1cccc[n+]1[O-])c1cccc(Cl)c1 ZINC000000153241 440804114 /nfs/dbraw/zinc/80/41/14/440804114.db2.gz ZTBOUEVWMIBDHH-UHFFFAOYSA-N 0 0 341.772 1.604 10 0 EDAERN O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCC(O)CC1 ZINC000000005602 440794418 /nfs/dbraw/zinc/79/44/18/440794418.db2.gz GCENVBXOZRJYGL-UHFFFAOYSA-N 0 0 326.805 1.700 10 0 EDAERN COc1ccc(NC(=O)Cn2c(N)nnc2SC)cc1Cl ZINC000001921839 440853189 /nfs/dbraw/zinc/85/31/89/440853189.db2.gz DTZVOKOHNUVXDV-UHFFFAOYSA-N 0 0 327.797 1.883 10 0 EDAERN CC[C@@H](C)NC(=O)CCS(=O)(=O)c1cccc2nsnc21 ZINC000002496248 440863347 /nfs/dbraw/zinc/86/33/47/440863347.db2.gz KBUNKPIVAWWVFY-SECBINFHSA-N 0 0 327.431 1.770 10 0 EDAERN COC(=O)C1=C(O)[C@@H]2C[C@H](C1)C1(SCCS1)[C@@H](C(=O)OC)C2 ZINC000004012648 440908565 /nfs/dbraw/zinc/90/85/65/440908565.db2.gz PPOMXPITWUCVEV-GWOFURMSSA-N 0 0 344.454 1.740 10 0 EDAERN COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCCn1ccnc1 ZINC000006024829 440977402 /nfs/dbraw/zinc/97/74/02/440977402.db2.gz UETWCBGJQDFDLQ-HNNXBMFYSA-N 0 0 330.388 1.357 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000046083831 441078647 /nfs/dbraw/zinc/07/86/47/441078647.db2.gz GQGGNTQRVZNNSC-ZIAGYGMSSA-N 0 0 341.411 1.965 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OC(F)F)C[C@H](C)O1 ZINC000080197541 441149437 /nfs/dbraw/zinc/14/94/37/441149437.db2.gz UUPNPGUAAJEYBU-UWVGGRQHSA-N 0 0 328.315 1.862 10 0 EDAERN COC(=O)C1=C(Br)S[C@H](N)N1C(=O)OC(C)(C)C ZINC000071791423 441154609 /nfs/dbraw/zinc/15/46/09/441154609.db2.gz GNRJUUIUSOEGJT-MRVPVSSYSA-N 0 0 339.211 1.950 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)NCCOc2cccc(NC(C)=O)c2)C1 ZINC000105174248 441239795 /nfs/dbraw/zinc/23/97/95/441239795.db2.gz VFWNFNWFVBBIBS-INIZCTEOSA-N 0 0 348.447 1.807 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000105537551 441259176 /nfs/dbraw/zinc/25/91/76/441259176.db2.gz YDGDJLQGVPASQE-APPZFPTMSA-N 0 0 349.284 1.824 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(CCCS(C)(=O)=O)CC2)cn1 ZINC000105866265 441296505 /nfs/dbraw/zinc/29/65/05/441296505.db2.gz RJZFUNRQQKWXPA-UHFFFAOYSA-N 0 0 342.509 1.190 10 0 EDAERN O=C(CN1CCC(Nc2cccnn2)CC1)N1CCc2ccccc21 ZINC000105804698 441274684 /nfs/dbraw/zinc/27/46/84/441274684.db2.gz DRJWGRNPHMKYGL-UHFFFAOYSA-N 0 0 337.427 1.942 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000105864432 441295879 /nfs/dbraw/zinc/29/58/79/441295879.db2.gz ALEBQLNQSZXVEJ-PBHICJAKSA-N 0 0 330.432 1.660 10 0 EDAERN COCCN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C[C@@H]1C ZINC000105832546 441286419 /nfs/dbraw/zinc/28/64/19/441286419.db2.gz LEBLAEVRDCXCHL-YJBOKZPZSA-N 0 0 331.460 1.659 10 0 EDAERN CCOCCN1CCN(CC(=O)N2CCCC[C@@H]2CC)C[C@H]1C ZINC000105834977 441287064 /nfs/dbraw/zinc/28/70/64/441287064.db2.gz ORVGKNHFQBNMHU-SJORKVTESA-N 0 0 325.497 1.820 10 0 EDAERN CCOCCN1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000105834836 441287230 /nfs/dbraw/zinc/28/72/30/441287230.db2.gz LGNXJOAZIXFIBR-BBWFWOEESA-N 0 0 325.497 1.534 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccon2)CC1 ZINC000105838730 441290291 /nfs/dbraw/zinc/29/02/91/441290291.db2.gz DCYUEMNVKZOUGS-UHFFFAOYSA-N 0 0 337.811 1.582 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NC[C@]2(O)CCSC2)[C@H]1c1ccccc1 ZINC000082966819 441339684 /nfs/dbraw/zinc/33/96/84/441339684.db2.gz UHUYPRIYLNXVFH-YXJHDRRASA-N 0 0 348.468 1.580 10 0 EDAERN Cc1ccc(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000105869148 441298699 /nfs/dbraw/zinc/29/86/99/441298699.db2.gz FUPAXMYSFBRPEB-UHFFFAOYSA-N 0 0 341.459 1.875 10 0 EDAERN CC(C)C[C@H](C)N(C)C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869892 441300597 /nfs/dbraw/zinc/30/05/97/441300597.db2.gz HFNNTORKDLYRJL-KRWDZBQOSA-N 0 0 349.523 1.821 10 0 EDAERN Cc1ccc(O)c(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000105875094 441303433 /nfs/dbraw/zinc/30/34/33/441303433.db2.gz VCMBDPKLAOLWPZ-UHFFFAOYSA-N 0 0 328.416 1.782 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000081767718 441311066 /nfs/dbraw/zinc/31/10/66/441311066.db2.gz BDOKXVXOHMCLOR-YALNPMBYSA-N 0 0 330.428 1.884 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000105913752 441314813 /nfs/dbraw/zinc/31/48/13/441314813.db2.gz VMEBNYMIRYGYJV-YYIAUSFCSA-N 0 0 325.497 1.817 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)N1CCCCCC1 ZINC000073462246 441318776 /nfs/dbraw/zinc/31/87/76/441318776.db2.gz OYOMDPWWWYIRJF-ILXRZTDVSA-N 0 0 344.477 1.913 10 0 EDAERN Cc1nc(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)cs1 ZINC000026864183 441387242 /nfs/dbraw/zinc/38/72/42/441387242.db2.gz AGZBDIKQPQMQDO-HNNXBMFYSA-N 0 0 342.428 1.581 10 0 EDAERN Cn1cc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)c(=O)n(C)c1=O ZINC000025952032 441362555 /nfs/dbraw/zinc/36/25/55/441362555.db2.gz NVCZLOUUQXPFPI-SIFUEBAJSA-N 0 0 339.395 1.291 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(F)c1C ZINC000083755086 441374830 /nfs/dbraw/zinc/37/48/30/441374830.db2.gz DYCRULADWSVQHM-CYBMUJFWSA-N 0 0 331.351 1.624 10 0 EDAERN CCc1nc2cccnc2n1[C@H]1CCN(C(=O)NCCCOC)C1 ZINC000065271575 441413159 /nfs/dbraw/zinc/41/31/59/441413159.db2.gz DVXVOHRXYBKNBE-ZDUSSCGKSA-N 0 0 331.420 1.987 10 0 EDAERN O=C(NC1CC1)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065273227 441413180 /nfs/dbraw/zinc/41/31/80/441413180.db2.gz AVZQGCCZEAFIEM-LLVKDONJSA-N 0 0 334.441 1.604 10 0 EDAERN O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccccc3F)CCN12 ZINC000085436215 441440701 /nfs/dbraw/zinc/44/07/01/441440701.db2.gz PDHOZXYKGDIVQZ-MRXNPFEDSA-N 0 0 333.407 1.927 10 0 EDAERN CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000108624869 441470356 /nfs/dbraw/zinc/47/03/56/441470356.db2.gz FKQSCZMPWDSEDH-CQSZACIVSA-N 0 0 348.447 1.667 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H]1CCOc2ccccc21)N1CCOCC1 ZINC000108883208 441479571 /nfs/dbraw/zinc/47/95/71/441479571.db2.gz YVSQOLAWCMXBQU-CABCVRRESA-N 0 0 333.432 1.573 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(-n2cnnn2)c1 ZINC000088196795 441495289 /nfs/dbraw/zinc/49/52/89/441495289.db2.gz XNZMJNFQXFVAES-CYBMUJFWSA-N 0 0 338.375 1.081 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000088199877 441495823 /nfs/dbraw/zinc/49/58/23/441495823.db2.gz LVUHDZGXRMWWQA-SHACYNPGSA-N 0 0 346.456 1.984 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000089355664 441540791 /nfs/dbraw/zinc/54/07/91/441540791.db2.gz KCDCAPGOROXCKA-NWDGAFQWSA-N 0 0 347.198 1.130 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000089373396 441543817 /nfs/dbraw/zinc/54/38/17/441543817.db2.gz XDKARQDBNOXTKU-VXGBXAGGSA-N 0 0 331.384 1.961 10 0 EDAERN CCCCO[C@H](C)C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000109653139 441503111 /nfs/dbraw/zinc/50/31/11/441503111.db2.gz MDFDITPWJDQQOY-CQSZACIVSA-N 0 0 336.436 1.729 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccccc2NC(=O)C(C)(C)C)C1 ZINC000112886201 441563438 /nfs/dbraw/zinc/56/34/38/441563438.db2.gz RZINFKXAOXXGIJ-ZDUSSCGKSA-N 0 0 333.432 1.732 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000075976997 441574374 /nfs/dbraw/zinc/57/43/74/441574374.db2.gz RSEVEVNRGUSYCM-WFASDCNBSA-N 0 0 340.445 1.909 10 0 EDAERN CN(CCc1ccccn1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000054484840 441581408 /nfs/dbraw/zinc/58/14/08/441581408.db2.gz RXZZABCIPZRCSA-KRWDZBQOSA-N 0 0 336.399 1.553 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000113229134 441590769 /nfs/dbraw/zinc/59/07/69/441590769.db2.gz KUQVCSSGOBUDOM-KBPBESRZSA-N 0 0 336.457 1.789 10 0 EDAERN C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000076075925 441593592 /nfs/dbraw/zinc/59/35/92/441593592.db2.gz MFOYJGHFVAUALZ-MJVIPROJSA-N 0 0 325.434 1.706 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000076099432 441598306 /nfs/dbraw/zinc/59/83/06/441598306.db2.gz CCDPWRGGXVYQKS-XHDPSFHLSA-N 0 0 338.367 1.797 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC)CC2 ZINC000114865495 441693185 /nfs/dbraw/zinc/69/31/85/441693185.db2.gz LWRIUVDCQPJHFK-NEPJUHHUSA-N 0 0 337.424 1.042 10 0 EDAERN Cc1csc(-c2cc(C(=O)NCc3cn(C)nc3C)nc(N)n2)n1 ZINC000114863487 441693189 /nfs/dbraw/zinc/69/31/89/441693189.db2.gz AUEACUIBHAGKIV-UHFFFAOYSA-N 0 0 343.416 1.463 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)CC2 ZINC000114867164 441693712 /nfs/dbraw/zinc/69/37/12/441693712.db2.gz SGXXGAGMPAKZLV-AAEUAGOBSA-N 0 0 332.379 1.878 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1ccc(OC)cc1)CC2 ZINC000114869079 441693770 /nfs/dbraw/zinc/69/37/70/441693770.db2.gz ZSUTYMSZKADURK-CQSZACIVSA-N 0 0 328.416 1.913 10 0 EDAERN CCOC(=O)N[C@@H](C(=O)N[C@H]1CCc2nc(CC)nn2C1)C(C)C ZINC000114872554 441694616 /nfs/dbraw/zinc/69/46/16/441694616.db2.gz TYRYJUJJOWCWMW-SMDDNHRTSA-N 0 0 337.424 1.042 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C)CC2 ZINC000114872646 441694637 /nfs/dbraw/zinc/69/46/37/441694637.db2.gz SHVCJROKFVRANE-LBPRGKRZSA-N 0 0 330.436 1.845 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)Cc1ccc(O)cc1)CC2 ZINC000114941947 441700364 /nfs/dbraw/zinc/70/03/64/441700364.db2.gz YENBMTCZLGUCBU-TZMCWYRMSA-N 0 0 343.431 1.791 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000173333729 441716061 /nfs/dbraw/zinc/71/60/61/441716061.db2.gz VUKVTQYKQUZPEW-DZGCQCFKSA-N 0 0 340.445 1.420 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)C2)n1 ZINC000173415169 441742232 /nfs/dbraw/zinc/74/22/32/441742232.db2.gz MQCINFBFSHHPAX-LLVKDONJSA-N 0 0 336.417 1.052 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2oc(C)nc2C)ncn1 ZINC000173418693 441743049 /nfs/dbraw/zinc/74/30/49/441743049.db2.gz IROMRRQAPAPUCZ-GFCCVEGCSA-N 0 0 330.392 1.522 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccncc2)no1 ZINC000042648115 441764359 /nfs/dbraw/zinc/76/43/59/441764359.db2.gz SXXFDAQCQGJRLV-ZDUSSCGKSA-N 0 0 344.371 1.618 10 0 EDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000077139064 441722809 /nfs/dbraw/zinc/72/28/09/441722809.db2.gz FJKUOIWVCKGYMT-AOOOYVTPSA-N 0 0 346.836 1.498 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](C)Cc3cc(C)n[nH]3)CCO2)[nH]1 ZINC000158331955 441725268 /nfs/dbraw/zinc/72/52/68/441725268.db2.gz ZOSVZJOBMDDSHJ-ZWNOBZJWSA-N 0 0 347.423 1.113 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1ccc(C=O)cc1)CC2 ZINC000136845095 441727942 /nfs/dbraw/zinc/72/79/42/441727942.db2.gz BEBQHYLCPOKGJG-CQSZACIVSA-N 0 0 342.399 1.724 10 0 EDAERN CC(C)Cc1nnc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000137492927 441772698 /nfs/dbraw/zinc/77/26/98/441772698.db2.gz OYHOCNDJPPLEAW-GFCCVEGCSA-N 0 0 348.476 1.898 10 0 EDAERN Cc1cc(CNC(=O)N2CCCN(Cc3cnn(C)c3)CC2)on1 ZINC000115813775 441780350 /nfs/dbraw/zinc/78/03/50/441780350.db2.gz UVZNXEAMMFVUFY-UHFFFAOYSA-N 0 0 332.408 1.134 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccccc3OC)CCO2)[nH]1 ZINC000173556146 441790469 /nfs/dbraw/zinc/79/04/69/441790469.db2.gz VEWWQDXMHZTJJX-CQSZACIVSA-N 0 0 330.388 1.518 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)C2)cn1 ZINC000116228547 441803090 /nfs/dbraw/zinc/80/30/90/441803090.db2.gz FOJQVUXRUIYYKV-AWEZNQCLSA-N 0 0 344.390 1.234 10 0 EDAERN COC[C@@H](C)CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000139346354 441813023 /nfs/dbraw/zinc/81/30/23/441813023.db2.gz FFNXUMGHBLBUDZ-WCQYABFASA-N 0 0 326.418 1.487 10 0 EDAERN Cc1nnc(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000173925144 441863414 /nfs/dbraw/zinc/86/34/14/441863414.db2.gz SKJNGIXQWSRUHY-NWDGAFQWSA-N 0 0 338.408 1.730 10 0 EDAERN Cc1nc(S(=O)(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)cn1C ZINC000173964853 441869909 /nfs/dbraw/zinc/86/99/09/441869909.db2.gz QAIVHCIQUWYYRK-LBPRGKRZSA-N 0 0 345.428 1.954 10 0 EDAERN COC(=O)C1(NC(=O)CN2CCO[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000121983065 441824398 /nfs/dbraw/zinc/82/43/98/441824398.db2.gz MCXXRWQBNGJHEI-LSDHHAIUSA-N 0 0 338.448 1.622 10 0 EDAERN CCOc1cccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116586216 441831494 /nfs/dbraw/zinc/83/14/94/441831494.db2.gz RTLHLDDLWGCIGR-ZDUSSCGKSA-N 0 0 342.399 1.773 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CCO2)[nH]1 ZINC000173756226 441834615 /nfs/dbraw/zinc/83/46/15/441834615.db2.gz NHGCAKHNDHOXRN-OAHLLOKOSA-N 0 0 343.431 1.642 10 0 EDAERN O=C(NCCCOC1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173767725 441837218 /nfs/dbraw/zinc/83/72/18/441837218.db2.gz KQXPJZTWUGASOW-INIZCTEOSA-N 0 0 339.480 1.842 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1CC ZINC000116766812 441840822 /nfs/dbraw/zinc/84/08/22/441840822.db2.gz DYZBLSNZWKHZCN-ZDUSSCGKSA-N 0 0 339.461 1.420 10 0 EDAERN CCOCCN1CCN(C(=O)c2nc3nccc(C)n3n2)C[C@@H]1CC ZINC000116770859 441842706 /nfs/dbraw/zinc/84/27/06/441842706.db2.gz XWTGDSVYALCLLM-AWEZNQCLSA-N 0 0 346.435 1.006 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)C(=O)c1cnn(C)c1)c1ccccc1C ZINC000173813995 441844290 /nfs/dbraw/zinc/84/42/90/441844290.db2.gz UIOZILKVMIEGRM-HNNXBMFYSA-N 0 0 343.383 1.722 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC000118480787 441895843 /nfs/dbraw/zinc/89/58/43/441895843.db2.gz YYEPPKRGJPKQLH-RBSFLKMASA-N 0 0 327.469 1.458 10 0 EDAERN c1nnc2ccc(N3CCN(Cc4ccc5ccccc5n4)CC3)nn12 ZINC000124584839 441938561 /nfs/dbraw/zinc/93/85/61/441938561.db2.gz DWARCCYKOVSKHH-UHFFFAOYSA-N 0 0 345.410 1.995 10 0 EDAERN C[C@H](CNC(=O)NC[C@H](C)Oc1cccc(F)c1)N1CCOCC1 ZINC000175010066 441993760 /nfs/dbraw/zinc/99/37/60/441993760.db2.gz IDPIJPNSDKHISO-KGLIPLIRSA-N 0 0 339.411 1.613 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)c1 ZINC000174961590 441989167 /nfs/dbraw/zinc/98/91/67/441989167.db2.gz HLSRJYBKKGSCDY-OAHLLOKOSA-N 0 0 347.463 1.672 10 0 EDAERN C[C@H](NC(=O)N(CCO)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000079013752 442007940 /nfs/dbraw/zinc/00/79/40/442007940.db2.gz WLSRCBSKDXMHOG-NSHDSACASA-N 0 0 326.418 1.317 10 0 EDAERN Cc1ccc(C(=O)N2C[C@H]3C[C@@H]2[C@@H](NS(C)(=O)=O)C3)cc1F ZINC000096095791 442025375 /nfs/dbraw/zinc/02/53/75/442025375.db2.gz USRSNCBQZRQEKG-DDTOSNHZSA-N 0 0 326.393 1.286 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000151226424 442028060 /nfs/dbraw/zinc/02/80/60/442028060.db2.gz BZLBPWVVJAAMQI-GFCCVEGCSA-N 0 0 325.409 1.604 10 0 EDAERN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000120306313 442046714 /nfs/dbraw/zinc/04/67/14/442046714.db2.gz ZDYPDYKTCHOOMQ-SWLSCSKDSA-N 0 0 336.436 1.511 10 0 EDAERN NC(=O)Nc1cccc(C(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000125931829 442063204 /nfs/dbraw/zinc/06/32/04/442063204.db2.gz DQNALQUOCQYDKL-UHFFFAOYSA-N 0 0 327.388 1.926 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCCOC3CCCC3)CCO2)[nH]1 ZINC000175467654 442067972 /nfs/dbraw/zinc/06/79/72/442067972.db2.gz MFEGZXOQXSASKW-AWEZNQCLSA-N 0 0 337.424 1.545 10 0 EDAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H](C)C(C)C)ccc1F ZINC000069919859 442074852 /nfs/dbraw/zinc/07/48/52/442074852.db2.gz LXMMVNXRWGMHQF-VIFPVBQESA-N 0 0 334.355 1.209 10 0 EDAERN COc1cc(CCNC(=O)N[C@H]2CCc3ncnn3C2)ccc1C ZINC000120474327 442079046 /nfs/dbraw/zinc/07/90/46/442079046.db2.gz CTMVPBHRVFIGQC-AWEZNQCLSA-N 0 0 329.404 1.452 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000151580098 442087892 /nfs/dbraw/zinc/08/78/92/442087892.db2.gz QBGZJVLYLQYQFK-MNOVXSKESA-N 0 0 347.444 1.672 10 0 EDAERN Cc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1NS(C)(=O)=O ZINC000175717645 442110995 /nfs/dbraw/zinc/11/09/95/442110995.db2.gz GZTVMQGKGVYJCJ-LBPRGKRZSA-N 0 0 349.416 1.223 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc2c1oc(=O)n2C ZINC000126587620 442124687 /nfs/dbraw/zinc/12/46/87/442124687.db2.gz KKNNQDZZXLIQTG-SNVBAGLBSA-N 0 0 334.372 1.934 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCCC(=O)NC1CC1 ZINC000175853810 442135372 /nfs/dbraw/zinc/13/53/72/442135372.db2.gz DSAQANHRYXLDOI-OAHLLOKOSA-N 0 0 333.436 1.424 10 0 EDAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126789331 442142982 /nfs/dbraw/zinc/14/29/82/442142982.db2.gz VLRMHWJWCVMCFF-OLZOCXBDSA-N 0 0 337.424 1.430 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CCC2(CC1)OCCO2 ZINC000175663819 442101687 /nfs/dbraw/zinc/10/16/87/442101687.db2.gz JARYGADWEABCDR-ZDUSSCGKSA-N 0 0 335.408 1.406 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000176073355 442170906 /nfs/dbraw/zinc/17/09/06/442170906.db2.gz ACNKSRFFTKKLSK-SKDRFNHKSA-N 0 0 333.779 1.443 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000176073372 442171027 /nfs/dbraw/zinc/17/10/27/442171027.db2.gz ACNKSRFFTKKLSK-CABZTGNLSA-N 0 0 333.779 1.443 10 0 EDAERN COC(=O)c1[nH]c(C)c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000163519309 442171629 /nfs/dbraw/zinc/17/16/29/442171629.db2.gz KPIGFVDMQLQAPL-SMDDNHRTSA-N 0 0 349.431 1.211 10 0 EDAERN Cc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3CO)C2=O)cc1 ZINC000176111835 442178180 /nfs/dbraw/zinc/17/81/80/442178180.db2.gz VZBLOUNDDCIJEB-PVAVHDDUSA-N 0 0 345.443 1.951 10 0 EDAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000176153955 442183323 /nfs/dbraw/zinc/18/33/23/442183323.db2.gz WSKGTRKGCQEBPQ-ROUUACIJSA-N 0 0 349.450 1.627 10 0 EDAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N1CCC[C@H](Cn2cncn2)C1 ZINC000127250235 442185992 /nfs/dbraw/zinc/18/59/92/442185992.db2.gz WJDZACAOYJCBIV-ZFWWWQNUSA-N 0 0 339.399 1.643 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cn1 ZINC000127297936 442191134 /nfs/dbraw/zinc/19/11/34/442191134.db2.gz ORHMFVUMZVSBIA-LBPRGKRZSA-N 0 0 346.391 1.712 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccn(C3CCCC3)n2)C[C@@H]1C ZINC000152319939 442197492 /nfs/dbraw/zinc/19/74/92/442197492.db2.gz ANWZWEVONSHEHM-HNNXBMFYSA-N 0 0 349.479 1.860 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000121267083 442197909 /nfs/dbraw/zinc/19/79/09/442197909.db2.gz BGDAFAQSBLWSQQ-LLVKDONJSA-N 0 0 325.315 1.030 10 0 EDAERN CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000121296429 442200854 /nfs/dbraw/zinc/20/08/54/442200854.db2.gz GUYKAWDJEQLMIA-GJZGRUSLSA-N 0 0 336.432 1.437 10 0 EDAERN O=C(c1cnc(C(F)(F)F)nc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127424069 442201897 /nfs/dbraw/zinc/20/18/97/442201897.db2.gz IOCPYTJQUWZNNQ-JTQLQIEISA-N 0 0 340.309 1.639 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NC[C@]3(C)CCCS3)CCO2)[nH]1 ZINC000120939727 442154642 /nfs/dbraw/zinc/15/46/42/442154642.db2.gz SWDVGQHAALGWBG-ABAIWWIYSA-N 0 0 339.465 1.736 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(F)c(Cl)c1 ZINC000097013403 442154959 /nfs/dbraw/zinc/15/49/59/442154959.db2.gz PRDKTGUVWXCFTA-NSHDSACASA-N 0 0 330.772 1.884 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000163367968 442161310 /nfs/dbraw/zinc/16/13/10/442161310.db2.gz CZPHYJMVMGJMGS-CRAIPNDOSA-N 0 0 339.480 1.972 10 0 EDAERN C[C@@H](NC(=O)CCc1ccnn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000120994058 442163080 /nfs/dbraw/zinc/16/30/80/442163080.db2.gz RWBRFDRMULXXPT-GFCCVEGCSA-N 0 0 335.429 1.634 10 0 EDAERN CN(c1ccccc1NC(=O)C(=O)N1CCC[C@H]1CO)C1CCCC1 ZINC000121002030 442164480 /nfs/dbraw/zinc/16/44/80/442164480.db2.gz CPGMVOHXSXDFJD-HNNXBMFYSA-N 0 0 345.443 1.987 10 0 EDAERN C[C@@H]1CN=C(N2CCN(C[C@@H](O)COCc3ccccc3)CC2)S1 ZINC000127050501 442165358 /nfs/dbraw/zinc/16/53/58/442165358.db2.gz GHCYFNFGKYERHI-NVXWUHKLSA-N 0 0 349.500 1.673 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Cl)nc1Cl ZINC000176743746 442252304 /nfs/dbraw/zinc/25/23/04/442252304.db2.gz GQZVCKKXFDCJNT-ZETCQYMHSA-N 0 0 348.215 1.793 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000176307878 442208467 /nfs/dbraw/zinc/20/84/67/442208467.db2.gz MMAACFHNKSSAAO-AWEZNQCLSA-N 0 0 343.387 1.010 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C(C)C)C3CC3)C2=O)n(C)n1 ZINC000176385926 442216995 /nfs/dbraw/zinc/21/69/95/442216995.db2.gz OVZQDLTXWPQRRV-CQSZACIVSA-N 0 0 333.436 1.806 10 0 EDAERN C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1ccc(F)cc1 ZINC000176432163 442221095 /nfs/dbraw/zinc/22/10/95/442221095.db2.gz WPODPTMUEZSVSJ-DOMZBBRYSA-N 0 0 325.384 1.223 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H](C)N1CCSCC1)C2 ZINC000152537150 442223413 /nfs/dbraw/zinc/22/34/13/442223413.db2.gz CVRVFQNDLUTBAQ-CYBMUJFWSA-N 0 0 336.505 1.866 10 0 EDAERN O=C(NCc1ccccc1-n1ccnc1)N[C@H]1CCCn2ncnc21 ZINC000176448071 442223667 /nfs/dbraw/zinc/22/36/67/442223667.db2.gz VVHKOMSZCSHYDH-AWEZNQCLSA-N 0 0 337.387 1.798 10 0 EDAERN Cc1nc(CCCC(=O)N2CCO[C@@H](Cn3cccn3)C2)cs1 ZINC000176455513 442224469 /nfs/dbraw/zinc/22/44/69/442224469.db2.gz LEFMSNVXLARGSK-OAHLLOKOSA-N 0 0 334.445 1.898 10 0 EDAERN CN(C)c1ccnc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000127827644 442228185 /nfs/dbraw/zinc/22/81/85/442228185.db2.gz PZOGOVCCABBNHV-OAHLLOKOSA-N 0 0 340.431 1.679 10 0 EDAERN C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CCO1 ZINC000127956019 442235929 /nfs/dbraw/zinc/23/59/29/442235929.db2.gz NFLXWGMOFRTRSJ-LLVKDONJSA-N 0 0 329.347 1.128 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1cc(F)ccc1F ZINC000176575786 442236458 /nfs/dbraw/zinc/23/64/58/442236458.db2.gz VPOSIONQWADJKB-QHCPKHFHSA-N 0 0 343.359 1.420 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)N2CCOCC2)s1 ZINC000176573646 442236513 /nfs/dbraw/zinc/23/65/13/442236513.db2.gz MXCPKGNETLSYNY-ZIAGYGMSSA-N 0 0 349.460 1.399 10 0 EDAERN CCC(CC)(C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000128036544 442241352 /nfs/dbraw/zinc/24/13/52/442241352.db2.gz QEPDWMIOQBVTQF-KRWDZBQOSA-N 0 0 334.460 1.554 10 0 EDAERN COCCc1cc(NC(=O)N2CCC(Cn3cccn3)CC2)n(C)n1 ZINC000128083214 442243879 /nfs/dbraw/zinc/24/38/79/442243879.db2.gz WDKRYQQJBYGXLF-UHFFFAOYSA-N 0 0 346.435 1.750 10 0 EDAERN Cn1cc([C@]2(C)CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)cn1 ZINC000128493647 442269798 /nfs/dbraw/zinc/26/97/98/442269798.db2.gz SFZSFIALESXUPU-KRWDZBQOSA-N 0 0 329.404 1.410 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(CC)c1)CC2 ZINC000176924140 442274567 /nfs/dbraw/zinc/27/45/67/442274567.db2.gz WIUFJAKKHBHMDL-ZDUSSCGKSA-N 0 0 334.445 1.696 10 0 EDAERN COc1ccc(C(=O)CCC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000128611348 442277412 /nfs/dbraw/zinc/27/74/12/442277412.db2.gz FERHDIFDDQUDKH-AWEZNQCLSA-N 0 0 334.416 1.495 10 0 EDAERN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCS[C@@H](C)C1 ZINC000170901765 442286012 /nfs/dbraw/zinc/28/60/12/442286012.db2.gz FFCISIRBSWBCTP-XJKSGUPXSA-N 0 0 348.468 1.550 10 0 EDAERN C[C@H](NC(=O)NC[C@H](O)C1CCCCC1)c1nnc2n1CCCC2 ZINC000153521577 442287562 /nfs/dbraw/zinc/28/75/62/442287562.db2.gz KTOSRWJIPXTRQS-JSGCOSHPSA-N 0 0 335.452 1.916 10 0 EDAERN COc1ccc(Cl)cc1CN(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000170924818 442290017 /nfs/dbraw/zinc/29/00/17/442290017.db2.gz AZAXMYAFIVANKO-CQSZACIVSA-N 0 0 341.839 1.821 10 0 EDAERN CCOC(=O)CCCN1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000170943528 442292725 /nfs/dbraw/zinc/29/27/25/442292725.db2.gz HFSJIPHNUXSMQF-UHFFFAOYSA-N 0 0 336.436 1.649 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC4(CCC4)C3)C2=O)n(C)n1 ZINC000177111673 442298623 /nfs/dbraw/zinc/29/86/23/442298623.db2.gz QVRZAMUGMZUSIH-AWEZNQCLSA-N 0 0 345.447 1.810 10 0 EDAERN Cc1cccc(CSCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000129089204 442300907 /nfs/dbraw/zinc/30/09/07/442300907.db2.gz CTVPDHFYKCTJAO-INIZCTEOSA-N 0 0 338.473 1.038 10 0 EDAERN COCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171205828 442327570 /nfs/dbraw/zinc/32/75/70/442327570.db2.gz UPRXLEIPNUEUJC-RYUDHWBXSA-N 0 0 328.434 1.875 10 0 EDAERN COc1ccccc1OCCN(C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177326082 442328901 /nfs/dbraw/zinc/32/89/01/442328901.db2.gz NHFNPUNTZLBXPV-ZDUSSCGKSA-N 0 0 345.403 1.842 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000129840863 442332983 /nfs/dbraw/zinc/33/29/83/442332983.db2.gz IPDOFSFJESZERH-LLVKDONJSA-N 0 0 336.440 1.137 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000177390548 442335853 /nfs/dbraw/zinc/33/58/53/442335853.db2.gz DENVTQAHZBSXHR-OAHLLOKOSA-N 0 0 331.416 1.721 10 0 EDAERN CN(CCCNC(=O)N1CCC[C@@H]1Cn1ccnc1)CC(F)(F)F ZINC000177411698 442338527 /nfs/dbraw/zinc/33/85/27/442338527.db2.gz NNKIVDKTDBQQQJ-CYBMUJFWSA-N 0 0 347.385 1.941 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)C1 ZINC000171286916 442338659 /nfs/dbraw/zinc/33/86/59/442338659.db2.gz KDTMHPSKEIOTCC-KRWDZBQOSA-N 0 0 341.411 1.721 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCNC(=O)c2ccco2)cn1 ZINC000171456600 442350257 /nfs/dbraw/zinc/35/02/57/442350257.db2.gz KIVIHJFQZDZNCO-ZDUSSCGKSA-N 0 0 331.376 1.290 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000171468385 442350788 /nfs/dbraw/zinc/35/07/88/442350788.db2.gz HQWJDBSFZDEVLC-UKRRQHHQSA-N 0 0 326.437 1.585 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177522719 442353234 /nfs/dbraw/zinc/35/32/34/442353234.db2.gz XSCSEBJAAMWKCI-LLVKDONJSA-N 0 0 349.416 1.459 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2cnccc2C)C1 ZINC000177661321 442367614 /nfs/dbraw/zinc/36/76/14/442367614.db2.gz RWHKMIXZDCDZAT-AWEZNQCLSA-N 0 0 341.415 1.951 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1N1CCOCC1 ZINC000177732625 442376974 /nfs/dbraw/zinc/37/69/74/442376974.db2.gz IGUQEATUDDFDBD-OAHLLOKOSA-N 0 0 341.415 1.688 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ncc[nH]1 ZINC000171754581 442377537 /nfs/dbraw/zinc/37/75/37/442377537.db2.gz FMAQVZVCUWBVCO-CJNGLKHVSA-N 0 0 328.416 1.913 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCCn2cccn2)[C@@H]1c1ccccc1 ZINC000171852790 442384976 /nfs/dbraw/zinc/38/49/76/442384976.db2.gz YCBMUDXOLOJXKP-WBVHZDCISA-N 0 0 326.400 1.609 10 0 EDAERN COCC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000171904769 442389355 /nfs/dbraw/zinc/38/93/55/442389355.db2.gz HFKWAZURSKSGMN-QGZVFWFLSA-N 0 0 349.479 1.649 10 0 EDAERN CC1(C)CN(CCNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCO1 ZINC000177876714 442393184 /nfs/dbraw/zinc/39/31/84/442393184.db2.gz WBHVVLCWCYAQNA-QAPCUYQASA-N 0 0 339.480 1.434 10 0 EDAERN CN(C)C(=O)c1ccc(N(C)[C@@H]2CCCN(c3cccnn3)C2)nc1 ZINC000171986549 442395947 /nfs/dbraw/zinc/39/59/47/442395947.db2.gz XYPMRZBSTHRWBR-OAHLLOKOSA-N 0 0 340.431 1.679 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(NC(C)=O)cc1 ZINC000155413832 442396801 /nfs/dbraw/zinc/39/68/01/442396801.db2.gz RPQWISZLMXZMIZ-AWEZNQCLSA-N 0 0 343.387 1.648 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)O1 ZINC000178032002 442402695 /nfs/dbraw/zinc/40/26/95/442402695.db2.gz OCLWUCYPGIOGDI-ZWNOBZJWSA-N 0 0 346.836 1.302 10 0 EDAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177558692 442357308 /nfs/dbraw/zinc/35/73/08/442357308.db2.gz BPFYIJDIXGZBKP-LLVKDONJSA-N 0 0 343.416 1.708 10 0 EDAERN COc1cccc(CO[C@H](C)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177577439 442359010 /nfs/dbraw/zinc/35/90/10/442359010.db2.gz HRKPKDCYBAFIBP-IUODEOHRSA-N 0 0 330.388 1.843 10 0 EDAERN O=C(NCCc1cc(F)ccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000177584429 442359944 /nfs/dbraw/zinc/35/99/44/442359944.db2.gz NUDBZTTUIFXUQA-HNNXBMFYSA-N 0 0 339.386 1.623 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)COCC(C)C)CCO2)n1 ZINC000171625268 442363666 /nfs/dbraw/zinc/36/36/66/442363666.db2.gz WINWNAUVAMOBBT-IRXDYDNUSA-N 0 0 325.453 1.234 10 0 EDAERN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C)O3)CC2)cc1F ZINC000178110560 442408603 /nfs/dbraw/zinc/40/86/03/442408603.db2.gz HZAMKUHPGWENNW-BBRMVZONSA-N 0 0 334.391 1.986 10 0 EDAERN CC(C)[C@H](C)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000133679666 442429537 /nfs/dbraw/zinc/42/95/37/442429537.db2.gz MURVLSFWGCKKJO-WDEREUQCSA-N 0 0 334.463 1.226 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC1CCN(C(=O)CC(C)C)CC1)C(C)C ZINC000178400117 442430171 /nfs/dbraw/zinc/43/01/71/442430171.db2.gz GHLNJTUONWOZKF-OAHLLOKOSA-N 0 0 340.468 1.093 10 0 EDAERN CC[C@H](O)CN1CCN(CCCS(=O)(=O)c2ccccc2)CC1 ZINC000172355382 442448661 /nfs/dbraw/zinc/44/86/61/442448661.db2.gz XUSQBCVKAJXZDW-INIZCTEOSA-N 0 0 340.489 1.239 10 0 EDAERN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172383371 442452717 /nfs/dbraw/zinc/45/27/17/442452717.db2.gz CTRDDEHPHIBNRS-JQWIXIFHSA-N 0 0 344.337 1.573 10 0 EDAERN CCOC1CC(CCNC(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000191678055 442488564 /nfs/dbraw/zinc/48/85/64/442488564.db2.gz BZGSRVZYOLFRMA-GPANFISMSA-N 0 0 336.436 1.499 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cc(N(C)C)ccn3)CCO2)cn1 ZINC000191718764 442497295 /nfs/dbraw/zinc/49/72/95/442497295.db2.gz XLYAUWBRZIFHMH-INIZCTEOSA-N 0 0 329.404 1.578 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)CC(C)(C)C)CC2 ZINC000172606517 442502294 /nfs/dbraw/zinc/50/22/94/442502294.db2.gz SRXUCYKKFWVAQL-OLZOCXBDSA-N 0 0 337.468 1.813 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)cn1 ZINC000191785581 442510599 /nfs/dbraw/zinc/51/05/99/442510599.db2.gz SWIXILLANLVTMD-HNNXBMFYSA-N 0 0 328.372 1.442 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cc(OC)ccc3O)CCO2)cn1 ZINC000191758292 442506098 /nfs/dbraw/zinc/50/60/98/442506098.db2.gz LRVDLPAINLIFKD-INIZCTEOSA-N 0 0 331.372 1.831 10 0 EDAERN O=C(Nc1cccnc1Cl)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000179808768 442506549 /nfs/dbraw/zinc/50/65/49/442506549.db2.gz CYUCQHUWHQMNKV-SNVBAGLBSA-N 0 0 334.767 1.129 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(C(F)F)c1 ZINC000179818714 442506785 /nfs/dbraw/zinc/50/67/85/442506785.db2.gz IJZWVFPXXFFDIA-CYBMUJFWSA-N 0 0 329.347 1.439 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CCO)N2CCOCC2)s1 ZINC000178715415 442461686 /nfs/dbraw/zinc/46/16/86/442461686.db2.gz QQBXXJUWULNTFP-GXTWGEPZSA-N 0 0 341.477 1.500 10 0 EDAERN CC(C)[C@H](NC(=O)NCc1ccc(N2CCCCCC2)nc1)C(N)=O ZINC000134674058 442508914 /nfs/dbraw/zinc/50/89/14/442508914.db2.gz BJNXHWQRGONNLD-INIZCTEOSA-N 0 0 347.463 1.771 10 0 EDAERN COc1ccc(F)cc1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000186165240 442476473 /nfs/dbraw/zinc/47/64/73/442476473.db2.gz OKXBXGQOIWABGQ-LBPRGKRZSA-N 0 0 325.384 1.354 10 0 EDAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000134413863 442480059 /nfs/dbraw/zinc/48/00/59/442480059.db2.gz URWJTLMZVKQDFC-UHFFFAOYSA-N 0 0 343.387 1.928 10 0 EDAERN COc1ccc(-n2ccc(CNC(=O)N[C@H](C(N)=O)C(C)C)n2)cc1 ZINC000134936050 442538169 /nfs/dbraw/zinc/53/81/69/442538169.db2.gz KKDWTFFUUSDQHG-HNNXBMFYSA-N 0 0 345.403 1.190 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)C(F)(F)C2(O)CCC2)C12CCOCC2 ZINC000186461192 442538489 /nfs/dbraw/zinc/53/84/89/442538489.db2.gz UNPLJUPIXQDWRI-VXGBXAGGSA-N 0 0 333.375 1.627 10 0 EDAERN Cc1cc(C)cc(OCCNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000186509155 442548698 /nfs/dbraw/zinc/54/86/98/442548698.db2.gz TUEYKFCNADRAOZ-UHFFFAOYSA-N 0 0 331.416 1.602 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2nc3cccnc3[nH]2)C1 ZINC000191966466 442548986 /nfs/dbraw/zinc/54/89/86/442548986.db2.gz BVJYFUCRNXMOBU-LLVKDONJSA-N 0 0 345.403 1.831 10 0 EDAERN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CNC(=O)C1 ZINC000191811760 442516076 /nfs/dbraw/zinc/51/60/76/442516076.db2.gz FJCNMXGPGSGMGZ-NXEZZACHSA-N 0 0 326.780 1.828 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccccc1CN1CCOCC1)C(C)C ZINC000178924662 442527899 /nfs/dbraw/zinc/52/78/99/442527899.db2.gz WDGVKICTZVUCNI-MRXNPFEDSA-N 0 0 348.447 1.411 10 0 EDAERN COC(=O)c1ccc(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172745924 442531936 /nfs/dbraw/zinc/53/19/36/442531936.db2.gz REICNTHTZJVLFX-QGZVFWFLSA-N 0 0 346.427 1.339 10 0 EDAERN CNC(=O)c1cccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000172929288 442569344 /nfs/dbraw/zinc/56/93/44/442569344.db2.gz CHMDWGRMTDQVBJ-CQSZACIVSA-N 0 0 341.415 1.506 10 0 EDAERN O=S(=O)(CCc1cccs1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000192028123 442573724 /nfs/dbraw/zinc/57/37/24/442573724.db2.gz BBXVBSHBROWQKF-ZDUSSCGKSA-N 0 0 340.474 1.624 10 0 EDAERN C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000135296191 442576877 /nfs/dbraw/zinc/57/68/77/442576877.db2.gz CROWYMFLIQVYGH-ZDUSSCGKSA-N 0 0 342.465 1.128 10 0 EDAERN COc1cccc(OCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000135297964 442577212 /nfs/dbraw/zinc/57/72/12/442577212.db2.gz VECVASLKCZROOG-CQSZACIVSA-N 0 0 342.399 1.649 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000186628379 442577782 /nfs/dbraw/zinc/57/77/82/442577782.db2.gz FPDDHPFXLOJYCV-RDTXWAMCSA-N 0 0 343.431 1.681 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000186628398 442577846 /nfs/dbraw/zinc/57/78/46/442577846.db2.gz FPDDHPFXLOJYCV-KDOFPFPSSA-N 0 0 343.431 1.681 10 0 EDAERN COC(=O)C1CCC(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1 ZINC000180335191 442582655 /nfs/dbraw/zinc/58/26/55/442582655.db2.gz MXUKLXNXGGJGIS-UHFFFAOYSA-N 0 0 345.399 1.425 10 0 EDAERN C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nnc2n1CCCC2 ZINC000135344237 442583348 /nfs/dbraw/zinc/58/33/48/442583348.db2.gz BEOJNKAVUPWFJY-LLVKDONJSA-N 0 0 338.375 1.081 10 0 EDAERN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1O)N1CCOCC1 ZINC000180385065 442591616 /nfs/dbraw/zinc/59/16/16/442591616.db2.gz YGKOUQRZGZUNRF-JTQLQIEISA-N 0 0 332.322 1.862 10 0 EDAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000173049177 442594821 /nfs/dbraw/zinc/59/48/21/442594821.db2.gz SMZNGASUCVJPFQ-SWLSCSKDSA-N 0 0 329.448 1.965 10 0 EDAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)CC3CCOCC3)C2)no1 ZINC000173114377 442605619 /nfs/dbraw/zinc/60/56/19/442605619.db2.gz HCYZBGYUWGWEDZ-CQSZACIVSA-N 0 0 343.449 1.389 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCC(C)(C)CO ZINC000136010148 442645255 /nfs/dbraw/zinc/64/52/55/442645255.db2.gz GINKSADJRJRXRV-GFCCVEGCSA-N 0 0 339.440 1.357 10 0 EDAERN CC(C)(C)OC(=O)CCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000192424849 442645957 /nfs/dbraw/zinc/64/59/57/442645957.db2.gz BRQMAWRZRJSLJN-CYBMUJFWSA-N 0 0 334.420 1.684 10 0 EDAERN O=C(NCCCN1CCOCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000136209887 442655484 /nfs/dbraw/zinc/65/54/84/442655484.db2.gz ZMNZIHIXJPZNBC-NVXWUHKLSA-N 0 0 325.453 1.045 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccccc2COC2CCOCC2)C1 ZINC000136232133 442656493 /nfs/dbraw/zinc/65/64/93/442656493.db2.gz WNVGFELSVRFFEL-KRWDZBQOSA-N 0 0 348.443 1.443 10 0 EDAERN CSC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173158393 442613409 /nfs/dbraw/zinc/61/34/09/442613409.db2.gz FLAVVZHDXAXSTC-VXGBXAGGSA-N 0 0 339.465 1.275 10 0 EDAERN Cc1c(NC(=O)[C@H]2CC[C@@H](C)O2)cccc1S(=O)(=O)NC1CC1 ZINC000157780510 442613438 /nfs/dbraw/zinc/61/34/38/442613438.db2.gz AHGVLCMQBYRQEC-QMTHXVAHSA-N 0 0 338.429 1.942 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000192215860 442615529 /nfs/dbraw/zinc/61/55/29/442615529.db2.gz VCKHOPBUIJJSBL-UHFFFAOYSA-N 0 0 346.493 1.607 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CC2CCOCC2)C1 ZINC000173172946 442616262 /nfs/dbraw/zinc/61/62/62/442616262.db2.gz KPHXVFKDINJFHB-OAHLLOKOSA-N 0 0 341.477 1.839 10 0 EDAERN COc1cc(F)cc(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000180567132 442623525 /nfs/dbraw/zinc/62/35/25/442623525.db2.gz AUNSDTOSGRDTQG-CQSZACIVSA-N 0 0 349.366 1.544 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000181615753 442706828 /nfs/dbraw/zinc/70/68/28/442706828.db2.gz JCUYRSSDCLOYNW-GOEBONIOSA-N 0 0 345.443 1.902 10 0 EDAERN CC(=O)Nc1ccc(C)c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000187444566 442677473 /nfs/dbraw/zinc/67/74/73/442677473.db2.gz CDNXBDOQPRZJPH-INIZCTEOSA-N 0 0 331.416 1.500 10 0 EDAERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC[C@H]3CN(C)CCO3)c2c1 ZINC000181167135 442682479 /nfs/dbraw/zinc/68/24/79/442682479.db2.gz BYCWDYKIIGGGAV-NSHDSACASA-N 0 0 333.363 1.448 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cnc(Cl)cn3)CC2)n1 ZINC000192740755 442682614 /nfs/dbraw/zinc/68/26/14/442682614.db2.gz ARUSZPVJTLTRJC-VIFPVBQESA-N 0 0 336.783 1.340 10 0 EDAERN COCCNC(=O)c1ccc(N2CCC[C@H]2Cn2ccnc2C)nc1 ZINC000192740102 442682642 /nfs/dbraw/zinc/68/26/42/442682642.db2.gz VBOFTKQLJZBAIV-INIZCTEOSA-N 0 0 343.431 1.632 10 0 EDAERN COc1cccc2[nH]cc(CC(=O)N3CC[C@H](N4CCOCC4)C3)c21 ZINC000181275179 442687632 /nfs/dbraw/zinc/68/76/32/442687632.db2.gz ZBFWQBHMDAUPHB-HNNXBMFYSA-N 0 0 343.427 1.652 10 0 EDAERN COC(=O)C1(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000187979608 442701645 /nfs/dbraw/zinc/70/16/45/442701645.db2.gz BPUVNHNDCGOSEK-GDBMZVCRSA-N 0 0 344.411 1.666 10 0 EDAERN CSc1cccc(C)c1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000187222206 442661592 /nfs/dbraw/zinc/66/15/92/442661592.db2.gz NRYYMSIUKKBXOG-NSHDSACASA-N 0 0 345.428 1.898 10 0 EDAERN COc1ccc(F)c(C(=O)NC[C@@H](C)N2CCOCC2)c1OC ZINC000188136842 442715591 /nfs/dbraw/zinc/71/55/91/442715591.db2.gz KNGJNKLPLHJKKU-LLVKDONJSA-N 0 0 326.368 1.293 10 0 EDAERN COCCN1CCN(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CC1=O ZINC000181939298 442722585 /nfs/dbraw/zinc/72/25/85/442722585.db2.gz YXPJHTFYXLDMNZ-RDTXWAMCSA-N 0 0 345.443 1.729 10 0 EDAERN CC[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)C(C)(C)c1ccccc1 ZINC000193337210 442734448 /nfs/dbraw/zinc/73/44/48/442734448.db2.gz QGPMFBHZMBOAHU-BRWVUGGUSA-N 0 0 332.444 1.841 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC(CO)C1)c1cccs1 ZINC000182106471 442736447 /nfs/dbraw/zinc/73/64/47/442736447.db2.gz AOIMWRNANARFRW-HNNXBMFYSA-N 0 0 344.436 1.540 10 0 EDAERN O=C(CC(=O)N1CC[C@@H](Oc2cccnc2)C1)NCC(F)(F)F ZINC000182116676 442737288 /nfs/dbraw/zinc/73/72/88/442737288.db2.gz NMEAUXTXRQDMMS-LLVKDONJSA-N 0 0 331.294 1.130 10 0 EDAERN CCCCOC[C@H](O)CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000193383099 442737962 /nfs/dbraw/zinc/73/79/62/442737962.db2.gz VZFSAWWFDKQUGA-MRXNPFEDSA-N 0 0 330.432 1.938 10 0 EDAERN Cc1ccc(NCCCNC(=O)NC[C@@H](C)N2CCOCC2)nc1 ZINC000193438221 442742645 /nfs/dbraw/zinc/74/26/45/442742645.db2.gz HNCOMHMRXHRYMA-OAHLLOKOSA-N 0 0 335.452 1.212 10 0 EDAERN C[C@H]1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CCS1 ZINC000193446333 442743501 /nfs/dbraw/zinc/74/35/01/442743501.db2.gz ALILKNGEGWFHCO-LBPRGKRZSA-N 0 0 327.471 1.931 10 0 EDAERN C[C@@H](NCC(=O)Nc1nncs1)c1ccc(S(C)(=O)=O)cc1 ZINC000182193942 442744200 /nfs/dbraw/zinc/74/42/00/442744200.db2.gz ZJAOVDVDDNWHJX-SECBINFHSA-N 0 0 340.430 1.231 10 0 EDAERN CCCS(=O)(=O)CCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182198220 442744428 /nfs/dbraw/zinc/74/44/28/442744428.db2.gz XKALABHPXRTFBJ-GFCCVEGCSA-N 0 0 333.475 1.566 10 0 EDAERN Cc1onc(-c2ccccn2)c1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188500701 442757120 /nfs/dbraw/zinc/75/71/20/442757120.db2.gz QWUDIMFRUDYBBJ-UHFFFAOYSA-N 0 0 340.383 1.786 10 0 EDAERN COCCN(CCOC)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181707680 442711802 /nfs/dbraw/zinc/71/18/02/442711802.db2.gz UGEAQOSHKWPFEA-CYBMUJFWSA-N 0 0 339.440 1.021 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000193096116 442712782 /nfs/dbraw/zinc/71/27/82/442712782.db2.gz KTUUKOPEYWHIKZ-LBPRGKRZSA-N 0 0 336.823 1.679 10 0 EDAERN COC(=O)C1CCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181724348 442713000 /nfs/dbraw/zinc/71/30/00/442713000.db2.gz DFSQGAFNIFSTMX-ZDUSSCGKSA-N 0 0 349.435 1.311 10 0 EDAERN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000188685618 442787762 /nfs/dbraw/zinc/78/77/62/442787762.db2.gz MQLCPFZWRMVTPU-SKDRFNHKSA-N 0 0 346.305 1.185 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000193808143 442789491 /nfs/dbraw/zinc/78/94/91/442789491.db2.gz DRYWYCWQBUVXGG-LLVKDONJSA-N 0 0 336.335 1.345 10 0 EDAERN CCOCCN1CCN(C(=O)c2cn3ccnc3s2)C[C@H]1CC ZINC000188513846 442758978 /nfs/dbraw/zinc/75/89/78/442758978.db2.gz RXSFDMCSKPTXRB-CYBMUJFWSA-N 0 0 336.461 1.969 10 0 EDAERN CS(=O)(=O)N1CC(CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000188567593 442764303 /nfs/dbraw/zinc/76/43/03/442764303.db2.gz JPWNGQYJTIPYAI-LBPRGKRZSA-N 0 0 327.406 1.018 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCC(Cn2cccn2)CC1 ZINC000182459658 442770477 /nfs/dbraw/zinc/77/04/77/442770477.db2.gz VPYJJJQJHHILOI-UHFFFAOYSA-N 0 0 338.411 1.859 10 0 EDAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1ncon1 ZINC000182550463 442785007 /nfs/dbraw/zinc/78/50/07/442785007.db2.gz QXQCYWZQXXVEKD-DUFXMDAXSA-N 0 0 332.335 1.606 10 0 EDAERN O=C1O[C@@H](CN2CCO[C@@H](Cn3cccn3)C2)CN1c1ccccc1 ZINC000247046704 442830588 /nfs/dbraw/zinc/83/05/88/442830588.db2.gz VOTXBRPFPKYKHR-SJORKVTESA-N 0 0 342.399 1.609 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247121900 442837243 /nfs/dbraw/zinc/83/72/43/442837243.db2.gz RUDFNQLPFSVASW-GJZGRUSLSA-N 0 0 347.459 1.491 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000188904708 442839844 /nfs/dbraw/zinc/83/98/44/442839844.db2.gz ZTDSNBJNDRNPIM-WJFTUGDTSA-N 0 0 344.455 1.886 10 0 EDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000182893892 442843789 /nfs/dbraw/zinc/84/37/89/442843789.db2.gz DPAQJCHQICTJIV-LLVKDONJSA-N 0 0 335.385 1.327 10 0 EDAERN CCN(C(=O)[C@H]1C[C@@H](O)CN1C(C)=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000188966955 442851337 /nfs/dbraw/zinc/85/13/37/442851337.db2.gz QMWYDLCIHHLOOL-FDQGKXFDSA-N 0 0 348.443 1.456 10 0 EDAERN COc1n[nH]c(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000182996933 442860814 /nfs/dbraw/zinc/86/08/14/442860814.db2.gz RGTQPDGVRDABHS-YPMHNXCESA-N 0 0 329.360 1.362 10 0 EDAERN CCCN1CCCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1=O ZINC000189025030 442862751 /nfs/dbraw/zinc/86/27/51/442862751.db2.gz NZFIQTMZYJOCGD-QGZVFWFLSA-N 0 0 339.480 1.644 10 0 EDAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000247730985 442866328 /nfs/dbraw/zinc/86/63/28/442866328.db2.gz UNVZJVOOZBUNOG-SQNIBIBYSA-N 0 0 341.411 1.923 10 0 EDAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000183108120 442881446 /nfs/dbraw/zinc/88/14/46/442881446.db2.gz YHBJTNXWWANGIU-KBPBESRZSA-N 0 0 348.447 1.684 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCC[C@H](Cn2cncn2)C1 ZINC000183178787 442895819 /nfs/dbraw/zinc/89/58/19/442895819.db2.gz PBEBJFAEUGWDEF-AWEZNQCLSA-N 0 0 339.399 1.254 10 0 EDAERN FC(F)(F)C(F)(F)COCCN1CCO[C@@H](Cn2cccn2)C1 ZINC000189210635 442898178 /nfs/dbraw/zinc/89/81/78/442898178.db2.gz BGKCPMZJRDPRLG-LLVKDONJSA-N 0 0 343.296 1.798 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccccc1COC1CCOCC1 ZINC000189234786 442902702 /nfs/dbraw/zinc/90/27/02/442902702.db2.gz YWKHGAWNOBSYGC-CQSZACIVSA-N 0 0 346.427 1.733 10 0 EDAERN COc1cc(Br)ccc1CNC(=O)[C@H]1CNC(=O)C1 ZINC000189245580 442904170 /nfs/dbraw/zinc/90/41/70/442904170.db2.gz TYMYOTHIVXVHOL-SECBINFHSA-N 0 0 327.178 1.210 10 0 EDAERN NC(=O)[C@@H]1CCCN(C(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)C1 ZINC000248610159 442906114 /nfs/dbraw/zinc/90/61/14/442906114.db2.gz FTGLXNOIHMANAN-CHWSQXEVSA-N 0 0 341.411 1.291 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000189267220 442909194 /nfs/dbraw/zinc/90/91/94/442909194.db2.gz UVDLHIAERAJCPW-SNVBAGLBSA-N 0 0 330.344 1.176 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H](C)CCCOC)CC2)n1 ZINC000182740427 318511632 /nfs/dbraw/zinc/51/16/32/318511632.db2.gz QTKQMRRZGXZDPK-KBPBESRZSA-N 0 0 338.452 1.900 10 0 EDAERN Cc1nc2cc(F)cc(C(=O)NC[C@@H]3CN(C)CCO3)c2nc1C ZINC000194605705 442921421 /nfs/dbraw/zinc/92/14/21/442921421.db2.gz ZCMGKFQUKPMIOH-CYBMUJFWSA-N 0 0 332.379 1.446 10 0 EDAERN CC(C)c1ccc(OCCNC(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189327850 442922521 /nfs/dbraw/zinc/92/25/21/442922521.db2.gz CLZQJKVPNSHWEW-OAHLLOKOSA-N 0 0 347.459 1.515 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000189330512 442923196 /nfs/dbraw/zinc/92/31/96/442923196.db2.gz UNEYBDBXCGJOTD-CQSZACIVSA-N 0 0 341.411 1.920 10 0 EDAERN Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000194621237 442925327 /nfs/dbraw/zinc/92/53/27/442925327.db2.gz BQYHKJKGVMQHTD-LBPRGKRZSA-N 0 0 335.429 1.701 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2nc(C)nc3c2cnn3C)C1 ZINC000248831872 442928048 /nfs/dbraw/zinc/92/80/48/442928048.db2.gz INOLBUSKCNWJHI-PWSUYJOCSA-N 0 0 329.364 1.330 10 0 EDAERN O=C(NC1CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1)C1CC1 ZINC000189449126 442956815 /nfs/dbraw/zinc/95/68/15/442956815.db2.gz XIUKZKXMLXQFAJ-UHFFFAOYSA-N 0 0 346.402 1.611 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](O)CC)CC2)cc1 ZINC000189463786 442960430 /nfs/dbraw/zinc/96/04/30/442960430.db2.gz CIEUKVDYBLHCDR-INIZCTEOSA-N 0 0 333.432 1.103 10 0 EDAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)CCO1 ZINC000183804273 442966076 /nfs/dbraw/zinc/96/60/76/442966076.db2.gz VEIWBGWMWLDQMO-DLBZAZTESA-N 0 0 348.491 1.886 10 0 EDAERN O[C@H](COC[C@H]1CCCO1)CN1CCO[C@H](c2nccs2)C1 ZINC000249907687 443007925 /nfs/dbraw/zinc/00/79/25/443007925.db2.gz VGLRZTKXCHYYLZ-MJBXVCDLSA-N 0 0 328.434 1.073 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000184465834 443024459 /nfs/dbraw/zinc/02/44/59/443024459.db2.gz SZFDHFJFOUBEBZ-HOCLYGCPSA-N 0 0 326.462 1.573 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000189965957 443039708 /nfs/dbraw/zinc/03/97/08/443039708.db2.gz SROYMGQQVQLCFQ-UHFFFAOYSA-N 0 0 340.383 1.904 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)NCc1nccc(N2CCCC2)n1 ZINC000224157021 443096750 /nfs/dbraw/zinc/09/67/50/443096750.db2.gz PBZIDGJDZVQKBP-UHFFFAOYSA-N 0 0 337.405 1.160 10 0 EDAERN Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000224190220 443096863 /nfs/dbraw/zinc/09/68/63/443096863.db2.gz OAYUQUWVNDGICQ-UHFFFAOYSA-N 0 0 340.836 1.983 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2F)CCN1CCOC ZINC000184749927 443071775 /nfs/dbraw/zinc/07/17/75/443071775.db2.gz MHKSIDXXYINLFX-AWEZNQCLSA-N 0 0 344.452 1.865 10 0 EDAERN C[C@H](CNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)Cn1cccn1 ZINC000190394232 443098909 /nfs/dbraw/zinc/09/89/09/443098909.db2.gz PQPICHIIHJSNGR-KBMXLJTQSA-N 0 0 348.472 1.998 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000184770451 443074187 /nfs/dbraw/zinc/07/41/87/443074187.db2.gz HOWPHWFDPRLKAB-KRWDZBQOSA-N 0 0 331.460 1.816 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CO)Cc1ccccc1C ZINC000190242941 443075388 /nfs/dbraw/zinc/07/53/88/443075388.db2.gz CNYRRBMNPIAKSZ-CVEARBPZSA-N 0 0 343.431 1.633 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)NCc2ccc(C)c(F)c2)n1 ZINC000185078934 443131839 /nfs/dbraw/zinc/13/18/39/443131839.db2.gz PEQZSSJZLWQVLE-OAHLLOKOSA-N 0 0 348.378 1.515 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(F)cc2F)n1 ZINC000185084903 443133103 /nfs/dbraw/zinc/13/31/03/443133103.db2.gz WANIXZOIOAXHHX-ZDUSSCGKSA-N 0 0 338.314 1.668 10 0 EDAERN CSCc1nc2ccccc2n1CC(=O)N1CC(NC(C)=O)C1 ZINC000190475318 443115250 /nfs/dbraw/zinc/11/52/50/443115250.db2.gz RPHOIGPDMNTIHN-UHFFFAOYSA-N 0 0 332.429 1.246 10 0 EDAERN Cn1ccc2cccc(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3O)c21 ZINC000190533829 443130039 /nfs/dbraw/zinc/13/00/39/443130039.db2.gz HVUIOKXHKRYMDL-UKRRQHHQSA-N 0 0 329.400 1.784 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000185289868 443177059 /nfs/dbraw/zinc/17/70/59/443177059.db2.gz QLMWPVMINDBIDI-ZWKOTPCHSA-N 0 0 338.407 1.917 10 0 EDAERN COc1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)ccc1F ZINC000190762966 443178471 /nfs/dbraw/zinc/17/84/71/443178471.db2.gz FJQWCHWMAWUBBU-LLVKDONJSA-N 0 0 326.353 1.239 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)Nc3cccnc3Cl)CCO2)cn1 ZINC000190804607 443186973 /nfs/dbraw/zinc/18/69/73/443186973.db2.gz DUKZBALUMRNCQK-AWEZNQCLSA-N 0 0 349.822 1.963 10 0 EDAERN C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 ZINC000190638956 443154665 /nfs/dbraw/zinc/15/46/65/443154665.db2.gz CUIFPSWDOLMQDM-MRXNPFEDSA-N 0 0 346.475 1.524 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc2[C@@H]1CO ZINC000185693119 443239955 /nfs/dbraw/zinc/23/99/55/443239955.db2.gz JMDJDDMPORSYRE-DOMZBBRYSA-N 0 0 328.368 1.516 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3nnc(C)s3)CC2)cn1 ZINC000185448314 443200889 /nfs/dbraw/zinc/20/08/89/443200889.db2.gz BAGXPXLPVVHJBI-UHFFFAOYSA-N 0 0 348.476 1.801 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCCCn3cccn3)CCO2)cn1 ZINC000190883041 443203839 /nfs/dbraw/zinc/20/38/39/443203839.db2.gz DXSUPGUKKQYJME-HNNXBMFYSA-N 0 0 332.408 1.273 10 0 EDAERN CC[C@@H](NC(=O)N1CC(NC(=O)COC)C1)C(C)(C)c1ccccc1 ZINC000185508185 443211240 /nfs/dbraw/zinc/21/12/40/443211240.db2.gz CMNBIHZEASGKDY-MRXNPFEDSA-N 0 0 347.459 1.899 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](CCO)CC(C)C)C[C@@H]1C ZINC000246174853 443275388 /nfs/dbraw/zinc/27/53/88/443275388.db2.gz GJHHMNKRPROKSP-JKSUJKDBSA-N 0 0 329.485 1.393 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)C(C)C ZINC000246242993 443282422 /nfs/dbraw/zinc/28/24/22/443282422.db2.gz TZBCEHRLQNCSAK-KCPJHIHWSA-N 0 0 331.416 1.782 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2sccc2OC)C[C@H]1C ZINC000246078001 443266206 /nfs/dbraw/zinc/26/62/06/443266206.db2.gz ZGAJTZDWHGOPAI-GFCCVEGCSA-N 0 0 348.490 1.488 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(CSc3nccn3C)o2)C1 ZINC000191482090 443300509 /nfs/dbraw/zinc/30/05/09/443300509.db2.gz XRYSKZQJNALUHI-UHFFFAOYSA-N 0 0 334.401 1.266 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000191477900 443300690 /nfs/dbraw/zinc/30/06/90/443300690.db2.gz NXZTYYUDCMPSCF-UHFFFAOYSA-N 0 0 336.189 1.891 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000191493968 443302949 /nfs/dbraw/zinc/30/29/49/443302949.db2.gz IEOYAGAWFBADQP-UHFFFAOYSA-N 0 0 343.408 1.961 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2ccc(C)[nH]c2=O)cn1 ZINC000275526334 443630587 /nfs/dbraw/zinc/63/05/87/443630587.db2.gz YDTXKADPTVLMKL-DZGCQCFKSA-N 0 0 329.356 1.759 10 0 EDAERN O=C(c1cccc2c1CCC2)N1CCC[C@H]1Cn1cc(CO)nn1 ZINC000299742403 444130343 /nfs/dbraw/zinc/13/03/43/444130343.db2.gz HRTFFHFNQQEFCQ-HNNXBMFYSA-N 0 0 326.400 1.564 10 0 EDAERN C[NH+](C)C[C@H](O)C[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000310032076 444290805 /nfs/dbraw/zinc/29/08/05/444290805.db2.gz YCHRYRCYLJSKRD-MLGOLLRUSA-N 0 0 330.425 1.401 10 0 EDAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000578135656 321727910 /nfs/dbraw/zinc/72/79/10/321727910.db2.gz MTVRJYRVQSQVKF-QWHCGFSZSA-N 0 0 338.429 1.202 10 0 EDAERN CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccnn1C ZINC000328638806 444407485 /nfs/dbraw/zinc/40/74/85/444407485.db2.gz WLWYWUOVVPZOID-SNVBAGLBSA-N 0 0 341.337 1.970 10 0 EDAERN CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCn3cnnc3C2)ncn1 ZINC000328624851 444400009 /nfs/dbraw/zinc/40/00/09/444400009.db2.gz CRCSHQPSYBDMGG-GUYCJALGSA-N 0 0 343.435 1.704 10 0 EDAERN CCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3ccnn3C)C2)o1 ZINC000371336650 446785996 /nfs/dbraw/zinc/78/59/96/446785996.db2.gz QDKLFHSBBBGUPW-HNNXBMFYSA-N 0 0 331.420 1.594 10 0 EDAERN C[C@@]1(c2ccsc2)CC(=O)N(Cc2nnc3n2CCCC3)C1=O ZINC000575603119 447866036 /nfs/dbraw/zinc/86/60/36/447866036.db2.gz BORDFDQVQJOSMO-INIZCTEOSA-N 0 0 330.413 1.893 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)nc(C)n1 ZINC000583618974 448448267 /nfs/dbraw/zinc/44/82/67/448448267.db2.gz NUEDRQKRUBMZKF-QGZVFWFLSA-N 0 0 344.419 1.390 10 0 EDAERN NC(=O)OCCOC(=O)c1ccc(C(=O)OCCOC(N)=O)cc1 ZINC000584615357 448584597 /nfs/dbraw/zinc/58/45/97/448584597.db2.gz NXLOEDMMYQOERQ-UHFFFAOYSA-N 0 0 340.288 1.019 10 0 EDAERN CC(=O)OCC(CCC(COC(C)=O)COC(C)=O)COC(C)=O ZINC000584615782 448585313 /nfs/dbraw/zinc/58/53/13/448585313.db2.gz GCQRIRGBBLAVCS-UHFFFAOYSA-N 0 0 346.376 1.251 10 0 EDAERN CNc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 ZINC000619291967 450448024 /nfs/dbraw/zinc/44/80/24/450448024.db2.gz UAGSNKYPHMSPOI-BLLLJJGKSA-N 0 0 329.404 1.755 10 0 EDAERN Nc1cccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)n1 ZINC000616593649 450454817 /nfs/dbraw/zinc/45/48/17/450454817.db2.gz LDJIHMNHFWZYGW-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN CCOC(=O)c1ccccc1[C@H]1CN(S(C)(=O)=O)CCCO1 ZINC000616654919 450457761 /nfs/dbraw/zinc/45/77/61/450457761.db2.gz LWQKQGFOFGXYNR-CQSZACIVSA-N 0 0 327.402 1.586 10 0 EDAERN COc1cc(Br)ccc1C(=O)N[C@@H]1CCOC[C@@H]1O ZINC000629231456 451607105 /nfs/dbraw/zinc/60/71/05/451607105.db2.gz UQDJNVQLWWUQNK-MNOVXSKESA-N 0 0 330.178 1.337 10 0 EDAERN CN(C)C(=O)C[C@]1(O)CCCN(Cc2ncnn2-c2ccccc2)C1 ZINC000643812267 452690835 /nfs/dbraw/zinc/69/08/35/452690835.db2.gz KINFJVXRECQNTC-GOSISDBHSA-N 0 0 343.431 1.073 10 0 EDAERN CN(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ncccc2F)nn1 ZINC000643907248 452808062 /nfs/dbraw/zinc/80/80/62/452808062.db2.gz ZUHBZLFQHKMFPQ-HNNXBMFYSA-N 0 0 329.379 1.983 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)NCCc1cc2ccccc2o1 ZINC000644367028 453358487 /nfs/dbraw/zinc/35/84/87/453358487.db2.gz HBZQFSJFBVRWMG-HNNXBMFYSA-N 0 0 330.384 1.465 10 0 EDAERN Cc1cc(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)c(C)n1C(C)C ZINC000671605638 486664140 /nfs/dbraw/zinc/66/41/40/486664140.db2.gz HXSQQWGYBYQZCU-QGZVFWFLSA-N 0 0 331.420 1.555 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000672818612 486811222 /nfs/dbraw/zinc/81/12/22/486811222.db2.gz QZKHBLCZJFBGOS-AWEZNQCLSA-N 0 0 333.423 1.333 10 0 EDAERN CCOC(=O)Cc1nc(N2CCOCC2)sc1C(=O)OCC ZINC000200804856 485680452 /nfs/dbraw/zinc/68/04/52/485680452.db2.gz FPCFNYMTGXISSR-UHFFFAOYSA-N 0 0 328.390 1.262 10 0 EDAERN CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+]1CC(N2CCNC2=O)C1 ZINC000668151710 486179789 /nfs/dbraw/zinc/17/97/89/486179789.db2.gz NCRAGDOWBZPASH-XJKSGUPXSA-N 0 0 333.436 1.080 10 0 EDAERN O[C@]1(Cn2ccnn2)CCN(c2ccnc(Cc3ccccc3)n2)C1 ZINC000671467523 486551043 /nfs/dbraw/zinc/55/10/43/486551043.db2.gz ZTPUDLHQIWMUJV-GOSISDBHSA-N 0 0 336.399 1.300 10 0 EDAERN CCN(CC)S(=O)(=O)CC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088352519 491194550 /nfs/dbraw/zinc/19/45/50/491194550.db2.gz IUGQNHPSVJKMEW-LBPRGKRZSA-N 0 0 330.425 1.983 10 0 EDAERN CC(C)[C@@H](O)CNC(=O)C1CCC(C(=O)NC[C@H](O)C(C)C)CC1 ZINC000134220783 491225047 /nfs/dbraw/zinc/22/50/47/491225047.db2.gz XXPRLPLLCNETSD-CKUJCDMFSA-N 0 0 342.480 1.059 10 0 EDAERN CCOc1nccnc1N1CC[C@H](N(C)C(=O)Cc2cccnc2)C1 ZINC000065268920 490997229 /nfs/dbraw/zinc/99/72/29/490997229.db2.gz RCYSRROMUZVEPC-HNNXBMFYSA-N 0 0 341.415 1.550 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000122834724 491001390 /nfs/dbraw/zinc/00/13/90/491001390.db2.gz KACZJSLPKDZQGF-AWEZNQCLSA-N 0 0 330.388 1.338 10 0 EDAERN Cc1ccc(CN(CCO)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000182628062 533892665 /nfs/dbraw/zinc/89/26/65/533892665.db2.gz AQDOUNJGEHGTAL-HNNXBMFYSA-N 0 0 329.404 1.105 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000212061939 535523817 /nfs/dbraw/zinc/52/38/17/535523817.db2.gz PMFQUQSYRCHLEO-SNVBAGLBSA-N 0 0 331.356 1.934 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c(C)o1 ZINC000166940299 533905653 /nfs/dbraw/zinc/90/56/53/533905653.db2.gz BDBNQHBXFQHALI-GFCCVEGCSA-N 0 0 342.417 1.233 10 0 EDAERN C[C@@H](CNC(=O)c1cc(N)c(F)cc1Br)[S@@](C)=O ZINC000165008581 534033287 /nfs/dbraw/zinc/03/32/87/534033287.db2.gz IDFXSOOCESSVPQ-QQOXFEPMSA-N 0 0 337.214 1.667 10 0 EDAERN COc1ccccc1CNC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171615875 534083807 /nfs/dbraw/zinc/08/38/07/534083807.db2.gz WWSOXJUNRADOEA-HNNXBMFYSA-N 0 0 329.404 1.240 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000171053271 534106140 /nfs/dbraw/zinc/10/61/40/534106140.db2.gz VUVFXECEUMBIDI-GWCFXTLKSA-N 0 0 326.393 1.748 10 0 EDAERN C[C@H]1C(=O)C[C@H]1c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000158483316 534157486 /nfs/dbraw/zinc/15/74/86/534157486.db2.gz KYHBILRMTVIWED-BXKDBHETSA-N 0 0 331.415 1.105 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c(C)c1 ZINC000173688749 534168123 /nfs/dbraw/zinc/16/81/23/534168123.db2.gz PEFFKJOIKYFITK-AWEZNQCLSA-N 0 0 327.388 1.697 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1C ZINC000173689498 534169410 /nfs/dbraw/zinc/16/94/10/534169410.db2.gz GXTUHZWWPVXCOI-HNNXBMFYSA-N 0 0 327.388 1.697 10 0 EDAERN COC(=O)[C@@H](C)CS(=O)(=O)Nc1ccccc1Br ZINC000177830500 534219382 /nfs/dbraw/zinc/21/93/82/534219382.db2.gz MWZTYYFMXVTDEN-QMMMGPOBSA-N 0 0 336.207 2.000 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CCn1c(C)c(C)sc1=O ZINC000172055678 534282864 /nfs/dbraw/zinc/28/28/64/534282864.db2.gz OXZZMGMAXSREEE-LBPRGKRZSA-N 0 0 326.418 1.471 10 0 EDAERN Cc1nc(CN2CCN(C(=O)c3nnc(Cl)s3)CC2)cs1 ZINC000157218524 534358942 /nfs/dbraw/zinc/35/89/42/534358942.db2.gz CUJOKWIPAOSYAA-UHFFFAOYSA-N 0 0 343.865 1.914 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCN1C(=O)CNC1=O)[C@@H](C)C2 ZINC000181280963 534444617 /nfs/dbraw/zinc/44/46/17/534444617.db2.gz SCWSBFJJSGESGU-XHDPSFHLSA-N 0 0 330.388 1.079 10 0 EDAERN O=C(CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)NCC1CC1 ZINC000181538952 534570142 /nfs/dbraw/zinc/57/01/42/534570142.db2.gz VBKRBXQOSRPBAZ-ZDUSSCGKSA-N 0 0 343.349 1.985 10 0 EDAERN CC(=O)N[C@H]1CCCN(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000077169715 534661697 /nfs/dbraw/zinc/66/16/97/534661697.db2.gz XLVSHUQDMZQRJD-ZDUSSCGKSA-N 0 0 341.358 1.827 10 0 EDAERN CC[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)C[C@H](C)O1 ZINC000188662860 523395038 /nfs/dbraw/zinc/39/50/38/523395038.db2.gz CZJUMBWATNACEC-GOEBONIOSA-N 0 0 345.443 1.894 10 0 EDAERN O=C(Nc1ccc2c(c1)CCCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000173899692 534841608 /nfs/dbraw/zinc/84/16/08/534841608.db2.gz QNPGPJBTLJLCSJ-INIZCTEOSA-N 0 0 331.416 1.950 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171616209 527006640 /nfs/dbraw/zinc/00/66/40/527006640.db2.gz ZBNLCLSFHXVPOT-MRXNPFEDSA-N 0 0 342.403 1.512 10 0 EDAERN CCCN(CC(=O)NC)S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164730295 527891007 /nfs/dbraw/zinc/89/10/07/527891007.db2.gz DXGJHVVSQHGOGO-UHFFFAOYSA-N 0 0 333.841 1.377 10 0 EDAERN CC(C)COC[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1ccco1 ZINC000186741648 528107677 /nfs/dbraw/zinc/10/76/77/528107677.db2.gz NBKDUQXKJOMYLO-HNNXBMFYSA-N 0 0 349.431 1.913 10 0 EDAERN CCOc1cc(/C=C/C(=O)NC[C@@H](C)N2CCOCC2)ccc1O ZINC000179421916 528192040 /nfs/dbraw/zinc/19/20/40/528192040.db2.gz HUWXQEFNURIKLA-HZRUHFOJSA-N 0 0 334.416 1.641 10 0 EDAERN CCCNC(=O)CCNC(=O)c1cc(N)cc(Br)c1 ZINC000165854621 528371338 /nfs/dbraw/zinc/37/13/38/528371338.db2.gz ZRGPZKMAEYFTNA-UHFFFAOYSA-N 0 0 328.210 1.677 10 0 EDAERN CCOC(C)(C)CNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000187661029 528410619 /nfs/dbraw/zinc/41/06/19/528410619.db2.gz GJGPWYICYRMZKX-CQSZACIVSA-N 0 0 335.452 1.902 10 0 EDAERN CCOC1(c2ncc(I)c(N)n2)CCOCC1 ZINC000168849511 528474833 /nfs/dbraw/zinc/47/48/33/528474833.db2.gz DTFWKGXPAQISQP-UHFFFAOYSA-N 0 0 349.172 1.706 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c(C)c1 ZINC000176097404 528495429 /nfs/dbraw/zinc/49/54/29/528495429.db2.gz JDJXDLYSOJPGMA-CQSZACIVSA-N 0 0 343.387 1.575 10 0 EDAERN CCCCNC(=O)[C@H](C)n1ncc(I)cc1=O ZINC000158582972 528539549 /nfs/dbraw/zinc/53/95/49/528539549.db2.gz UUOXXODOFWZJFD-QMMMGPOBSA-N 0 0 349.172 1.325 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1cccc(Cl)c1 ZINC000176569320 528703353 /nfs/dbraw/zinc/70/33/53/528703353.db2.gz ZBFWCWOISBYRHA-JOCHJYFZSA-N 0 0 341.824 1.795 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2sc(C)nc2C)C[C@@H]1C ZINC000176927469 528755055 /nfs/dbraw/zinc/75/50/55/528755055.db2.gz JAIJVWLLIYRGEI-NSHDSACASA-N 0 0 347.506 1.491 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(Cc1ccccc1)OC ZINC000180856293 528808689 /nfs/dbraw/zinc/80/86/89/528808689.db2.gz CEAJRUCGISEKFR-HNNXBMFYSA-N 0 0 340.445 1.781 10 0 EDAERN CCCn1nccc1Cn1ncc(I)c1N ZINC000164877101 528886865 /nfs/dbraw/zinc/88/68/65/528886865.db2.gz BLYWDYYKQJXLFH-UHFFFAOYSA-N 0 0 331.161 1.725 10 0 EDAERN CCn1ccc(=O)n(Cc2cccc(F)c2Br)c1=O ZINC000157685788 529155300 /nfs/dbraw/zinc/15/53/00/529155300.db2.gz GFODVWXAIOZOBA-UHFFFAOYSA-N 0 0 327.153 1.980 10 0 EDAERN CC1(C)Oc2ccc(Cl)cc2N(CCC(=O)NCCO)C1=O ZINC000041286171 535004766 /nfs/dbraw/zinc/00/47/66/535004766.db2.gz OJOZJIIGECPZQD-UHFFFAOYSA-N 0 0 326.780 1.343 10 0 EDAERN CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000247945559 535099843 /nfs/dbraw/zinc/09/98/43/535099843.db2.gz AWPPKUMOPSWNLR-QGZVFWFLSA-N 0 0 331.460 1.976 10 0 EDAERN CC(C)n1nnnc1CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125843827 535167400 /nfs/dbraw/zinc/16/74/00/535167400.db2.gz PQTLSRQDQXSKSD-UHFFFAOYSA-N 0 0 332.383 1.238 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCO[C@@H](c3cnn(CC)c3)C2)n1 ZINC000190766457 535578480 /nfs/dbraw/zinc/57/84/80/535578480.db2.gz CTOPAOAXJBEDLO-TZMCWYRMSA-N 0 0 335.408 1.957 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2cccc(C(C)=O)c2)C[C@H]1C ZINC000247185442 535604724 /nfs/dbraw/zinc/60/47/24/535604724.db2.gz NVOPFROXXFPNRD-OAHLLOKOSA-N 0 0 347.459 1.870 10 0 EDAERN CCN(CCNC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1C ZINC000049130231 535731333 /nfs/dbraw/zinc/73/13/33/535731333.db2.gz TUIQYYJPBZAJAW-KRWDZBQOSA-N 0 0 348.491 1.841 10 0 EDAERN CCn1nccc1NC(=O)N(C)C1CCN(c2cccnn2)CC1 ZINC000329187602 535876726 /nfs/dbraw/zinc/87/67/26/535876726.db2.gz GXJSAHOSSDFYHO-UHFFFAOYSA-N 0 0 329.408 1.826 10 0 EDAERN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 ZINC000185805429 536312451 /nfs/dbraw/zinc/31/24/51/536312451.db2.gz NGESCMOTELBLTH-OAHLLOKOSA-N 0 0 334.397 1.852 10 0 EDAERN CN[C@H](C(=O)NC[C@H](O)c1cc2ccccc2s1)c1cnn(C)c1 ZINC000262546396 536383570 /nfs/dbraw/zinc/38/35/70/536383570.db2.gz OCZPJVOMTJOTJO-BBRMVZONSA-N 0 0 344.440 1.745 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000173684124 536436756 /nfs/dbraw/zinc/43/67/56/536436756.db2.gz DETNTVJCJHKKGN-INIZCTEOSA-N 0 0 342.399 1.092 10 0 EDAERN COc1ccc(-c2csc(NC(=O)[C@H]3COCCN3)n2)cc1F ZINC000237458934 536499632 /nfs/dbraw/zinc/49/96/32/536499632.db2.gz NCUYCNSVDOGPPJ-LLVKDONJSA-N 0 0 337.376 1.885 10 0 EDAERN COc1ccc(-c2nnc(CNC(=O)N[C@@H](C)[C@@H]3CCCO3)[nH]2)cc1 ZINC000111825793 536516616 /nfs/dbraw/zinc/51/66/16/536516616.db2.gz LODJPNJWUSERQB-FZMZJTMJSA-N 0 0 345.403 1.847 10 0 EDAERN COCc1cc(NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)ncn1 ZINC000181024076 536733485 /nfs/dbraw/zinc/73/34/85/536733485.db2.gz XLBGKBNTPOCMTE-NSHDSACASA-N 0 0 345.407 1.474 10 0 EDAERN COC(=O)[C@H](c1ccccc1C)N1CCO[C@@H](Cn2cccn2)C1 ZINC000248638729 536762004 /nfs/dbraw/zinc/76/20/04/536762004.db2.gz XGAPVXFXYCGXTB-WBVHZDCISA-N 0 0 329.400 1.807 10 0 EDAERN CNC(=O)c1nc(C2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)n[nH]1 ZINC000846273426 590695426 /nfs/dbraw/zinc/69/54/26/590695426.db2.gz YXFJUQJOYLDZHT-QWHCGFSZSA-N 0 0 331.420 1.307 10 0 EDAERN Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3(C(C)(F)F)CC3)C2)n[nH]1 ZINC000888098188 591027681 /nfs/dbraw/zinc/02/76/81/591027681.db2.gz GDZJTCUUIRIIJT-HBNTYKKESA-N 0 0 328.363 1.519 10 0 EDAERN CN1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H](c3nccs3)C2)n[nH]1 ZINC000896285411 591409533 /nfs/dbraw/zinc/40/95/33/591409533.db2.gz CBUCLPWFBRLORS-ZIAGYGMSSA-N 0 0 347.444 1.847 10 0 EDAERN CCn1cnnc1[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)CCO1 ZINC000897472285 591475943 /nfs/dbraw/zinc/47/59/43/591475943.db2.gz VDURWVMADLNHNJ-LBPRGKRZSA-N 0 0 344.350 1.527 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(Cn3nc4ccccn4c3=O)C2)no1 ZINC000103135095 593191326 /nfs/dbraw/zinc/19/13/26/593191326.db2.gz NMWUWJPMHTXGJS-ZDUSSCGKSA-N 0 0 328.376 1.100 10 0 EDAERN CNC(=O)c1nc(C2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)n[n-]1 ZINC000818240307 593686631 /nfs/dbraw/zinc/68/66/31/593686631.db2.gz MJDOVDUMOOWIAY-NSHDSACASA-N 0 0 329.408 1.203 10 0 EDAERN CC(=O)c1ccc(N2CCC(OC(=O)[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000107031060 595463681 /nfs/dbraw/zinc/46/36/81/595463681.db2.gz JAQCYQYKGHKGRG-AWEZNQCLSA-N 0 0 330.384 1.537 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000117818981 595832585 /nfs/dbraw/zinc/83/25/85/595832585.db2.gz VRZWGOMEKMFAOU-UHFFFAOYSA-N 0 0 343.355 1.618 10 0 EDAERN CN(C)c1nc([C@H]2CCN(C(=O)c3ccncc3Cl)C2)cc(=O)[nH]1 ZINC000864840187 596382373 /nfs/dbraw/zinc/38/23/73/596382373.db2.gz PTXNRMORZDVACB-JTQLQIEISA-N 0 0 347.806 1.926 10 0 EDAERN O=C(OCCNc1ccc(-c2ccccc2)nn1)[C@H]1CNC(=O)C1 ZINC000119149047 596439881 /nfs/dbraw/zinc/43/98/81/596439881.db2.gz XJENKINQBIZZLF-CYBMUJFWSA-N 0 0 326.356 1.235 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000120401920 596495138 /nfs/dbraw/zinc/49/51/38/596495138.db2.gz OZCSDKAMQARMLS-UPJWGTAASA-N 0 0 349.456 1.809 10 0 EDAERN CC[C@@H]1CC(=O)N(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000119319931 596511983 /nfs/dbraw/zinc/51/19/83/596511983.db2.gz LTHILGUWYWAZRP-MRXNPFEDSA-N 0 0 347.507 1.972 10 0 EDAERN C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccc(Cl)cc1 ZINC000126669861 597548776 /nfs/dbraw/zinc/54/87/76/597548776.db2.gz KSUZFHLATVCLAG-ZWNOBZJWSA-N 0 0 330.837 1.294 10 0 EDAERN O=C(NC[C@H]1CSCCS1)N1CCC[C@@H]1Cn1ccnc1 ZINC000132495886 597855831 /nfs/dbraw/zinc/85/58/31/597855831.db2.gz LTGZUIYJYBTRQN-OLZOCXBDSA-N 0 0 326.491 1.906 10 0 EDAERN CCn1c(=S)n(CN2C[C@H](C)O[C@@H](C)C2)nc1-c1cnccn1 ZINC000133680304 597989327 /nfs/dbraw/zinc/98/93/27/597989327.db2.gz ZJGVKLLUWQBNJH-RYUDHWBXSA-N 0 0 334.449 1.958 10 0 EDAERN CSCCCOC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000175448108 697755048 /nfs/dbraw/zinc/75/50/48/697755048.db2.gz WRLIYIQOVQVTQC-TZMCWYRMSA-N 0 0 325.434 1.626 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3cnn(-c4ccccc4)n3)CCO2)[nH]1 ZINC000173671604 231001238 /nfs/dbraw/zinc/00/12/38/231001238.db2.gz HIPHTDLRZDTCCB-HNNXBMFYSA-N 0 0 325.376 1.267 10 0 EDAERN O[C@@H](c1cc2c(cc1Br)OCCO2)[C@H]1COCCO1 ZINC000055303420 214304418 /nfs/dbraw/zinc/30/44/18/214304418.db2.gz PLOVNZPVTZYUHQ-OLZOCXBDSA-N 0 0 331.162 1.669 10 0 EDAERN C[C@@H](COCc1ccccc1)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000173791339 231034264 /nfs/dbraw/zinc/03/42/64/231034264.db2.gz VQBKMAJOGCFQPU-SOUVJXGZSA-N 0 0 342.461 1.535 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1cc(F)cc(F)c1 ZINC000173922821 231071792 /nfs/dbraw/zinc/07/17/92/231071792.db2.gz RXLLHWWOLMWAKR-OAHLLOKOSA-N 0 0 325.359 1.310 10 0 EDAERN Cc1cc(N2CC[C@@H](N[C@@H](C)c3nnc4n3CCCC4)C2=O)n(C)n1 ZINC000174298832 231170028 /nfs/dbraw/zinc/17/00/28/231170028.db2.gz BMPOBWHDUKAISR-QWHCGFSZSA-N 0 0 343.435 1.112 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000174010533 529668293 /nfs/dbraw/zinc/66/82/93/529668293.db2.gz ASZOTFMVAZYJRG-INIZCTEOSA-N 0 0 331.416 1.121 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)CCc2cccn2C)CC1 ZINC000181852565 529698887 /nfs/dbraw/zinc/69/88/87/529698887.db2.gz JNCHJUVIAVGBTI-WBVHZDCISA-N 0 0 336.480 1.444 10 0 EDAERN CN(C)c1ccnc(C(=O)N(C)C[C@H](O)COCc2ccccc2)c1 ZINC000132230486 529796522 /nfs/dbraw/zinc/79/65/22/529796522.db2.gz LTXJDKPJXNVTSM-KRWDZBQOSA-N 0 0 343.427 1.797 10 0 EDAERN CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000175612661 529942443 /nfs/dbraw/zinc/94/24/43/529942443.db2.gz WSULABTWYQKTFK-AEFFLSMTSA-N 0 0 347.459 1.399 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccnnc1 ZINC000132551118 529944468 /nfs/dbraw/zinc/94/44/68/529944468.db2.gz KYXNOGHMRNAACH-AWEZNQCLSA-N 0 0 332.429 1.684 10 0 EDAERN C[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)[C@H]1CCCO1 ZINC000123004853 299111464 /nfs/dbraw/zinc/11/14/64/299111464.db2.gz KMELNTITMQJYLU-ZQDZILKHSA-N 0 0 338.404 1.681 10 0 EDAERN CN(CCO)C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012203262 201832895 /nfs/dbraw/zinc/83/28/95/201832895.db2.gz CEYIXXAAKOJUPK-AWEZNQCLSA-N 0 0 338.835 1.572 10 0 EDAERN C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CCS(=O)(=O)C1 ZINC000330330771 290781689 /nfs/dbraw/zinc/78/16/89/290781689.db2.gz NOCKXSQNZQEASB-JTQLQIEISA-N 0 0 338.385 1.174 10 0 EDAERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc2c1OCC(=O)N2 ZINC000133414783 295825609 /nfs/dbraw/zinc/82/56/09/295825609.db2.gz KSSQYYZOXAKCEZ-XZJROXQQSA-N 0 0 328.368 1.705 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000152792623 539832968 /nfs/dbraw/zinc/83/29/68/539832968.db2.gz MURWEOZHESPREX-JSGCOSHPSA-N 0 0 333.319 1.421 10 0 EDAERN CCOc1ccnc(N2CCN([C@@H](C)c3nc(COC)no3)CC2)n1 ZINC000181847626 234348245 /nfs/dbraw/zinc/34/82/45/234348245.db2.gz OPLBTTQNYZVSEI-LBPRGKRZSA-N 0 0 348.407 1.288 10 0 EDAERN COc1ccc([C@H](C)NC(=O)N[C@@H](C)C[S@](C)=O)cc1OC ZINC000182208755 234500380 /nfs/dbraw/zinc/50/03/80/234500380.db2.gz BZCPYLYLXBVDEP-GANBNBROSA-N 0 0 328.434 1.831 10 0 EDAERN [NH3+][C@@H](CS[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O)C(=O)[O-] ZINC000019720214 202016281 /nfs/dbraw/zinc/01/62/81/202016281.db2.gz ZFTROWHNUTUWLI-JSGCOSHPSA-N 0 0 344.392 1.617 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000105282997 283023981 /nfs/dbraw/zinc/02/39/81/283023981.db2.gz ADFLMFSUNKTHJB-SJORKVTESA-N 0 0 332.448 1.015 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)Cc2cc[nH]n2)N2CCOCC2)s1 ZINC000176560185 540101564 /nfs/dbraw/zinc/10/15/64/540101564.db2.gz KFDGBOPBPSDDPP-CQSZACIVSA-N 0 0 334.445 1.512 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1)C(C)C ZINC000179147780 540115378 /nfs/dbraw/zinc/11/53/78/540115378.db2.gz JYBGZVFATIXHMW-IUODEOHRSA-N 0 0 344.419 1.398 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCC(F)(F)CO)C(C)C ZINC000183852964 235243861 /nfs/dbraw/zinc/24/38/61/235243861.db2.gz YOLXMFRHCHMNID-ZDUSSCGKSA-N 0 0 328.359 1.493 10 0 EDAERN CCc1nnc(CN2CCN(c3nccc(C(C)C)n3)CC2)n1C ZINC000185835709 540149520 /nfs/dbraw/zinc/14/95/20/540149520.db2.gz QDNHTDQYEDIFER-UHFFFAOYSA-N 0 0 329.452 1.613 10 0 EDAERN CC(C)[C@H](NC(=O)Nc1ccn(CCc2ccncc2)n1)C(N)=O ZINC000186062215 540150278 /nfs/dbraw/zinc/15/02/78/540150278.db2.gz BTCLVOLQEPUHFD-AWEZNQCLSA-N 0 0 330.392 1.152 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000188545329 540159336 /nfs/dbraw/zinc/15/93/36/540159336.db2.gz QFXWUYWSZSJYIC-UHFFFAOYSA-N 0 0 337.228 1.644 10 0 EDAERN COc1ccccc1C(=O)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000183895506 235255568 /nfs/dbraw/zinc/25/55/68/235255568.db2.gz IRFUDMJNSPLTBX-CYBMUJFWSA-N 0 0 340.383 1.453 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000190826362 540172066 /nfs/dbraw/zinc/17/20/66/540172066.db2.gz ACOLENUCWMEYRD-ZDUSSCGKSA-N 0 0 337.387 1.909 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3c[nH]nc3C3CC3)CC2)cn1 ZINC000184381973 235383268 /nfs/dbraw/zinc/38/32/68/235383268.db2.gz RIWLGCVHHHHZRW-UHFFFAOYSA-N 0 0 342.447 1.852 10 0 EDAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1COc2ccccc21 ZINC000058969549 138161447 /nfs/dbraw/zinc/16/14/47/138161447.db2.gz IEVVSIPDXOAYTQ-OAHLLOKOSA-N 0 0 346.408 1.605 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1nc[nH]n1 ZINC000067686309 138189125 /nfs/dbraw/zinc/18/91/25/138189125.db2.gz SEYOUUWRHDUWJV-CYBMUJFWSA-N 0 0 335.795 1.529 10 0 EDAERN O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)N[C@@H]1CCSC1=O ZINC000020613326 202051369 /nfs/dbraw/zinc/05/13/69/202051369.db2.gz LTNYDLSWHCXVQX-LLVKDONJSA-N 0 0 347.845 1.403 10 0 EDAERN CCOC(=O)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC ZINC000020884861 202056948 /nfs/dbraw/zinc/05/69/48/202056948.db2.gz YECKWCBZNGUSQQ-UHFFFAOYSA-N 0 0 342.373 1.047 10 0 EDAERN COCCCNC(=O)CN(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037979773 202076619 /nfs/dbraw/zinc/07/66/19/202076619.db2.gz AZJRMJUYPDLJAY-UHFFFAOYSA-N 0 0 334.203 1.613 10 0 EDAERN CCN(CCCNC(=O)c1ccc(Cl)c(N)c1)S(C)(=O)=O ZINC000038035891 202090723 /nfs/dbraw/zinc/09/07/23/202090723.db2.gz KVUYXBNUMQYPQJ-UHFFFAOYSA-N 0 0 333.841 1.324 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)ccc1F ZINC000084179927 138269695 /nfs/dbraw/zinc/26/96/95/138269695.db2.gz FESXLVVJRSJMGX-BXKDBHETSA-N 0 0 330.381 1.031 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCc3ccccc32)C1 ZINC000079509360 138261741 /nfs/dbraw/zinc/26/17/41/138261741.db2.gz AUZQZGUBFUGDPE-RHSMWYFYSA-N 0 0 344.459 1.748 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CN1CCCCCCC1=O ZINC000081451632 138266701 /nfs/dbraw/zinc/26/67/01/138266701.db2.gz VMWQIDHLCCHEFV-CYBMUJFWSA-N 0 0 326.437 1.968 10 0 EDAERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091781118 138284855 /nfs/dbraw/zinc/28/48/55/138284855.db2.gz NMKHDWSUHKJPDO-ZYHUDNBSSA-N 0 0 326.780 1.128 10 0 EDAERN C[C@@H](CC(=O)N1CCOC[C@H]1C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000091778869 138284866 /nfs/dbraw/zinc/28/48/66/138284866.db2.gz IAGGHZGVAYFFMS-GWCFXTLKSA-N 0 0 344.333 1.912 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)N2CCc3c2cccc3F)cn1 ZINC000185637481 235712750 /nfs/dbraw/zinc/71/27/50/235712750.db2.gz NZDKJOMRXKAJRZ-OAHLLOKOSA-N 0 0 342.374 1.812 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000088755985 138272778 /nfs/dbraw/zinc/27/27/78/138272778.db2.gz QCGNZPIETRUASA-CHWSQXEVSA-N 0 0 349.435 1.470 10 0 EDAERN O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)[N-]OCc1ccccc1 ZINC000119464873 138314305 /nfs/dbraw/zinc/31/43/05/138314305.db2.gz JRBAXUPVWMTEJU-KRWDZBQOSA-N 0 0 327.384 1.783 10 0 EDAERN COCCC1(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CCC1 ZINC000119519051 138314437 /nfs/dbraw/zinc/31/44/37/138314437.db2.gz UVXLPJHPDVKDFU-CYBMUJFWSA-N 0 0 337.424 1.403 10 0 EDAERN CN(Cc1ccco1)C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105909250 138302488 /nfs/dbraw/zinc/30/24/88/138302488.db2.gz LFGXYUMLRZMBAK-UHFFFAOYSA-N 0 0 329.404 1.240 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)CSCC(F)(F)F)n1 ZINC000121007030 138316693 /nfs/dbraw/zinc/31/66/93/138316693.db2.gz DGJKESBFHGXDOJ-QMMMGPOBSA-N 0 0 325.312 1.573 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOc1ccc(OC)cc1)CC2 ZINC000114869120 138310614 /nfs/dbraw/zinc/31/06/14/138310614.db2.gz PGAFFHCVZFWODL-CYBMUJFWSA-N 0 0 344.415 1.749 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(=O)N(C(CC)CC)C1)CC2 ZINC000114865681 138310616 /nfs/dbraw/zinc/31/06/16/138310616.db2.gz LKVFDYMGSSHQCG-STQMWFEESA-N 0 0 347.463 1.309 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOc1ccc(C=O)cc1)CC2 ZINC000114869398 138310826 /nfs/dbraw/zinc/31/08/26/138310826.db2.gz LYVABMZAWCIUCQ-CQSZACIVSA-N 0 0 342.399 1.553 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1)[C@@H]1CCCO1 ZINC000125502836 138334584 /nfs/dbraw/zinc/33/45/84/138334584.db2.gz PJCLZUSGXFVJSL-ABAIWWIYSA-N 0 0 346.362 1.634 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000130417612 138341248 /nfs/dbraw/zinc/34/12/48/138341248.db2.gz JDJCDHUGLNLWIM-IEBWSBKVSA-N 0 0 345.487 1.878 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000185927020 235788419 /nfs/dbraw/zinc/78/84/19/235788419.db2.gz VAPLVAGPMRIFFS-GWCFXTLKSA-N 0 0 326.343 1.770 10 0 EDAERN CCn1cc(C(=O)C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cn1 ZINC000130735342 138346681 /nfs/dbraw/zinc/34/66/81/138346681.db2.gz IUCDUBWOBYURMI-CQSZACIVSA-N 0 0 329.404 1.800 10 0 EDAERN O=C(CSCc1cscn1)N1CC[C@H](N2CCOCC2)C1 ZINC000131197024 138353842 /nfs/dbraw/zinc/35/38/42/138353842.db2.gz YBAHGSBMKHNDAD-ZDUSSCGKSA-N 0 0 327.475 1.309 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc(N(C)C)ccn3)CC2)no1 ZINC000131190102 138353928 /nfs/dbraw/zinc/35/39/28/138353928.db2.gz BHVPMZRHCIDNRI-UHFFFAOYSA-N 0 0 344.419 1.187 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000030370753 202194736 /nfs/dbraw/zinc/19/47/36/202194736.db2.gz RAEFAUZDFZQVLQ-AWEZNQCLSA-N 0 0 338.429 1.764 10 0 EDAERN Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000132045379 138370828 /nfs/dbraw/zinc/37/08/28/138370828.db2.gz VLTVEZRXMUQLHB-CQSZACIVSA-N 0 0 344.419 1.336 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)[C@H](C)Sc2ncccn2)CC1 ZINC000031866590 202210675 /nfs/dbraw/zinc/21/06/75/202210675.db2.gz QWPHLDXADHFMCV-NSHDSACASA-N 0 0 338.433 1.694 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135799863 138429084 /nfs/dbraw/zinc/42/90/84/138429084.db2.gz GFBVUIILRMCSRB-TZMCWYRMSA-N 0 0 329.356 1.473 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1)[C@H]1CCCO1 ZINC000187097595 236116786 /nfs/dbraw/zinc/11/67/86/236116786.db2.gz YEHUZQPZXWCXML-BXUZGUMPSA-N 0 0 346.362 1.634 10 0 EDAERN CCCOc1cccc(CC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000154035410 138508816 /nfs/dbraw/zinc/50/88/16/138508816.db2.gz HEEYWVLXQBQWSN-KRWDZBQOSA-N 0 0 332.444 1.951 10 0 EDAERN O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1)N1CCCC1 ZINC000158754537 138633837 /nfs/dbraw/zinc/63/38/37/138633837.db2.gz XEBLZMXUDJCRNE-ZWKOTPCHSA-N 0 0 347.503 1.969 10 0 EDAERN CCOCCO[C@H](C)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171234208 138656010 /nfs/dbraw/zinc/65/60/10/138656010.db2.gz NNGLCTVVTWIBEV-OCCSQVGLSA-N 0 0 325.409 1.601 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)NCCOCCS(C)(=O)=O)cc1 ZINC000174551606 138684578 /nfs/dbraw/zinc/68/45/78/138684578.db2.gz BEIJOLWNJPLHJV-ZDUSSCGKSA-N 0 0 342.461 1.670 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000175794295 138700302 /nfs/dbraw/zinc/70/03/02/138700302.db2.gz UMRHISNRRRJUSQ-HZPDHXFCSA-N 0 0 332.400 1.724 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCCOC2CCOCC2)cn1 ZINC000175537348 138696868 /nfs/dbraw/zinc/69/68/68/138696868.db2.gz NYFIKBRSNJQUCN-MRXNPFEDSA-N 0 0 336.436 1.852 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc(C=O)[nH]3)CC2)cn1 ZINC000176518628 138710063 /nfs/dbraw/zinc/71/00/63/138710063.db2.gz PSGZROXLNQTPTK-UHFFFAOYSA-N 0 0 343.431 1.737 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(F)c1)CC2 ZINC000177639891 138732126 /nfs/dbraw/zinc/73/21/26/138732126.db2.gz FRBAYJGMDANTQB-GFCCVEGCSA-N 0 0 331.351 1.049 10 0 EDAERN O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000069869650 202295443 /nfs/dbraw/zinc/29/54/43/202295443.db2.gz OLTZLQWNVIHPTA-GOEBONIOSA-N 0 0 325.372 1.959 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000036124032 202315666 /nfs/dbraw/zinc/31/56/66/202315666.db2.gz PVTSBTYVBANPDC-KBPBESRZSA-N 0 0 342.461 1.425 10 0 EDAERN COCCN1[C@@H](C)CN(C(=O)c2c(OC)cccc2OC)C[C@@H]1C ZINC000036123347 202316596 /nfs/dbraw/zinc/31/65/96/202316596.db2.gz ZWXSRBWJTQWIDP-KBPBESRZSA-N 0 0 336.432 1.885 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C)[nH]c(=O)n2)cc1 ZINC000036236766 202319406 /nfs/dbraw/zinc/31/94/06/202319406.db2.gz YAUPWSPATMQWII-NSHDSACASA-N 0 0 329.356 1.306 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCCc2cc(N)ccc21 ZINC000070194756 202319500 /nfs/dbraw/zinc/31/95/00/202319500.db2.gz JYFVXHKXFKEMSJ-UHFFFAOYSA-N 0 0 325.415 1.469 10 0 EDAERN Nc1cccc(SCCS(=O)(=O)N2CCCC[C@@H]2CO)c1 ZINC000070216360 202320326 /nfs/dbraw/zinc/32/03/26/202320326.db2.gz DWCDLNNJDINGSR-CYBMUJFWSA-N 0 0 330.475 1.538 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N[C@H](C)[C@H]1CCCO1 ZINC000070431457 202333894 /nfs/dbraw/zinc/33/38/94/202333894.db2.gz OZBGSYIPCVGOIE-ZYHUDNBSSA-N 0 0 328.459 1.475 10 0 EDAERN CCc1nc(S(=O)(=O)N[C@@H](C(N)=S)C2CCCCC2)c[nH]1 ZINC000070419528 202334083 /nfs/dbraw/zinc/33/40/83/202334083.db2.gz KLPLUBKXUJFVHO-GFCCVEGCSA-N 0 0 330.479 1.485 10 0 EDAERN CCONS(=O)(=O)c1ccc(I)cc1 ZINC000070268320 202326437 /nfs/dbraw/zinc/32/64/37/202326437.db2.gz HVWCQXWZYIVFHE-UHFFFAOYSA-N 0 0 327.143 1.521 10 0 EDAERN COc1ccc(C(=O)Nc2nc(S(C)(=O)=O)ns2)c(OC)c1 ZINC000036626344 202328481 /nfs/dbraw/zinc/32/84/81/202328481.db2.gz QXVQZVRNMKTDBI-UHFFFAOYSA-N 0 0 343.386 1.211 10 0 EDAERN COCc1c(N)c(=O)n(Cc2ccc(Br)cc2)n1C ZINC000071194278 202341474 /nfs/dbraw/zinc/34/14/74/202341474.db2.gz KIVMJDWKDFOXIM-UHFFFAOYSA-N 0 0 326.194 1.726 10 0 EDAERN C[C@@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1c[nH]ccc1=O ZINC000071224215 202343218 /nfs/dbraw/zinc/34/32/18/202343218.db2.gz VLJCUKNRKHMECB-JTQLQIEISA-N 0 0 326.805 1.938 10 0 EDAERN O=C([O-])CC[NH+]1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000071319775 202345258 /nfs/dbraw/zinc/34/52/58/202345258.db2.gz UEYVVPBIGYHAJL-UHFFFAOYSA-N 0 0 331.825 1.703 10 0 EDAERN Nc1ccc(S(=O)(=O)N2CCC[C@H](CO)C2)cc1Br ZINC000071384360 202347745 /nfs/dbraw/zinc/34/77/45/202347745.db2.gz LCIAHGHFNVFJHN-VIFPVBQESA-N 0 0 349.250 1.424 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(N)c(Br)c2)CCCO1 ZINC000071385179 202348022 /nfs/dbraw/zinc/34/80/22/202348022.db2.gz XNDHRQHLVZGWAE-VIFPVBQESA-N 0 0 349.250 1.831 10 0 EDAERN CC(=O)C1(c2ccccc2)CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000037600457 202348095 /nfs/dbraw/zinc/34/80/95/202348095.db2.gz CPVSZVPLJUSGRB-MRXNPFEDSA-N 0 0 344.455 1.857 10 0 EDAERN NNc1cc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc[nH+]1 ZINC000038008994 202385343 /nfs/dbraw/zinc/38/53/43/202385343.db2.gz PYNIQHQYKDIOGP-UHFFFAOYSA-N 0 0 344.194 1.326 10 0 EDAERN NC(=O)[C@H](NC[C@@H]1CCCO1)c1cc(Br)ccc1F ZINC000037942967 202379406 /nfs/dbraw/zinc/37/94/06/202379406.db2.gz DAKJEXJNJLIAQD-JOYOIKCWSA-N 0 0 331.185 1.883 10 0 EDAERN COc1cccc(Cn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)c1 ZINC000073657901 202369934 /nfs/dbraw/zinc/36/99/34/202369934.db2.gz KMJARZNNMHHRBU-UHFFFAOYSA-N 0 0 342.351 1.764 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000184412565 138794534 /nfs/dbraw/zinc/79/45/34/138794534.db2.gz XMUIKKUAVGXQHC-HNAYVOBHSA-N 0 0 328.412 1.877 10 0 EDAERN COc1ccccc1CNC(=O)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000185073316 138800714 /nfs/dbraw/zinc/80/07/14/138800714.db2.gz JVLOLPBAUWBEBY-CQSZACIVSA-N 0 0 346.387 1.076 10 0 EDAERN CCCCN(CCO)C(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000185668941 138807563 /nfs/dbraw/zinc/80/75/63/138807563.db2.gz ICJRZKAJVJUJLI-CABCVRRESA-N 0 0 328.453 1.765 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCC2CCOCC2)C12CCOCC2 ZINC000185810847 138809000 /nfs/dbraw/zinc/80/90/00/138809000.db2.gz SZRHZSBKWKBXLX-CABCVRRESA-N 0 0 326.437 1.686 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000114874902 201071569 /nfs/dbraw/zinc/07/15/69/201071569.db2.gz ASDTVEOQWSCASU-NSHDSACASA-N 0 0 336.417 1.142 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C)c(C(N)=O)c1)CC2 ZINC000114906030 201073210 /nfs/dbraw/zinc/07/32/10/201073210.db2.gz LZLCQVFJZIVCTD-LBPRGKRZSA-N 0 0 342.403 1.384 10 0 EDAERN CC[C@H]1N[C@H](c2ccsc2)N(C2CCS(=O)(=O)CC2)C1=O ZINC000141987992 201109800 /nfs/dbraw/zinc/10/98/00/201109800.db2.gz XVXDHEGDTCRSSR-OLZOCXBDSA-N 0 0 328.459 1.534 10 0 EDAERN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c(Cl)c1 ZINC000041600758 201094323 /nfs/dbraw/zinc/09/43/23/201094323.db2.gz WFRUPRFHMARPJY-GFCCVEGCSA-N 0 0 339.823 1.424 10 0 EDAERN O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135733781 201130246 /nfs/dbraw/zinc/13/02/46/201130246.db2.gz FOLMWIMICPGBSO-CYBMUJFWSA-N 0 0 336.351 1.612 10 0 EDAERN O=C(c1cnc2sccn2c1=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135682114 201130471 /nfs/dbraw/zinc/13/04/71/201130471.db2.gz TXHVVWQCEIAZCC-LBPRGKRZSA-N 0 0 342.380 1.445 10 0 EDAERN COC(=O)c1cnc(-n2cc(I)cn2)s1 ZINC000090513680 201371633 /nfs/dbraw/zinc/37/16/33/201371633.db2.gz UXTRVWFLPGUINS-UHFFFAOYSA-N 0 0 335.126 1.720 10 0 EDAERN CCN(CC)c1nc(N)nc(Sc2nnc(N(C)C)s2)n1 ZINC000149458724 201389638 /nfs/dbraw/zinc/38/96/38/201389638.db2.gz XZXDQRGUKCZIBY-UHFFFAOYSA-N 0 0 326.455 1.369 10 0 EDAERN O=C1N(C2CCS(=O)(=O)CC2)[C@H](c2ccsc2)NC12CC2 ZINC000141954556 201386282 /nfs/dbraw/zinc/38/62/82/201386282.db2.gz KSSXTKUNJQEQBG-GFCCVEGCSA-N 0 0 326.443 1.288 10 0 EDAERN CCN(CC)c1nc(Cl)nc(NC[C@H]2CCCS2(=O)=O)n1 ZINC000155408777 201397590 /nfs/dbraw/zinc/39/75/90/201397590.db2.gz YVJBIZIXWAIATH-SECBINFHSA-N 0 0 333.845 1.360 10 0 EDAERN CCS(=O)(=O)[C@@H]1CSCCN1c1nc(NC)ncc1Cl ZINC000157043230 201399948 /nfs/dbraw/zinc/39/99/48/201399948.db2.gz XGLLRAXVUZHMOM-SECBINFHSA-N 0 0 336.870 1.486 10 0 EDAERN COCCCCNS(=O)(=O)c1cc(Br)ccc1N ZINC000044656067 202525975 /nfs/dbraw/zinc/52/59/75/202525975.db2.gz ZEVYFQJVYUNDLZ-UHFFFAOYSA-N 0 0 337.239 1.736 10 0 EDAERN CCNc1ncc(Br)c(N2CCN(C)C(=O)C2(C)C)n1 ZINC000157494583 201402746 /nfs/dbraw/zinc/40/27/46/201402746.db2.gz OADOLCYXDAKPQB-UHFFFAOYSA-N 0 0 342.241 1.728 10 0 EDAERN NC(=O)[C@H]1CCCCN1CC(=O)c1ccc(Br)cc1 ZINC000049537946 202624416 /nfs/dbraw/zinc/62/44/16/202624416.db2.gz JDQRZSKTDYOLKT-GFCCVEGCSA-N 0 0 325.206 1.972 10 0 EDAERN CCOC(=O)[C@@H](Cn1nc(C)c(Br)c1C)NC1CC1 ZINC000050595117 202634171 /nfs/dbraw/zinc/63/41/71/202634171.db2.gz SYTNWONCOQQLRE-LLVKDONJSA-N 0 0 330.226 1.946 10 0 EDAERN Cc1nc(Cl)c(C=O)c(N2CCSC[C@@H]2S(C)(=O)=O)n1 ZINC000162365077 201414460 /nfs/dbraw/zinc/41/44/60/201414460.db2.gz DPPFEOCUIKXYSA-VIFPVBQESA-N 0 0 335.838 1.175 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccccc1COC1CCOCC1 ZINC000189234803 138864685 /nfs/dbraw/zinc/86/46/85/138864685.db2.gz YWKHGAWNOBSYGC-AWEZNQCLSA-N 0 0 346.427 1.733 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCc3cccc(N(C)C)c3)CCO2)[nH]1 ZINC000189450527 138873843 /nfs/dbraw/zinc/87/38/43/138873843.db2.gz BNHJASPYOFBSKZ-INIZCTEOSA-N 0 0 343.431 1.712 10 0 EDAERN C[C@@H]1Cc2nc(SCC(=O)N3CCCCC3)n(C)c(=O)c2S1 ZINC000000427787 201472119 /nfs/dbraw/zinc/47/21/19/201472119.db2.gz QVKDGTCDNBDDRC-SNVBAGLBSA-N 0 0 339.486 1.922 10 0 EDAERN Cc1cc(CNC(=O)c2ccc(F)cc2)nc(N2CCOCC2)n1 ZINC000224225422 241741599 /nfs/dbraw/zinc/74/15/99/241741599.db2.gz BDYWZSAYJVEPGF-UHFFFAOYSA-N 0 0 330.363 1.691 10 0 EDAERN CCc1nnc(NC(=O)N2CCC(Nc3cccnn3)CC2)s1 ZINC000133458740 223417577 /nfs/dbraw/zinc/41/75/77/223417577.db2.gz CSKAVUSRYAOJED-UHFFFAOYSA-N 0 0 333.421 1.999 10 0 EDAERN Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cnn1C ZINC000190086316 138884958 /nfs/dbraw/zinc/88/49/58/138884958.db2.gz TUVKBSPYPIPAFR-KBPBESRZSA-N 0 0 332.404 1.108 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2N2CCCCCC2)C1 ZINC000005067906 201637623 /nfs/dbraw/zinc/63/76/23/201637623.db2.gz HRSAWGDYQXEDOG-CYBMUJFWSA-N 0 0 334.416 1.443 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c2cccnc12 ZINC000190682291 138895181 /nfs/dbraw/zinc/89/51/81/138895181.db2.gz FDOCRGQFHBWZEC-GFCCVEGCSA-N 0 0 340.383 1.219 10 0 EDAERN O=S1(=O)C[C@H](N2CCC(Cc3ccc(F)cc3)CC2)[C@H](O)C1 ZINC000069666207 203034840 /nfs/dbraw/zinc/03/48/40/203034840.db2.gz CLQJDIGSHXCYGW-JKSUJKDBSA-N 0 0 327.421 1.238 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccn3)n2)n1 ZINC000070875258 203082590 /nfs/dbraw/zinc/08/25/90/203082590.db2.gz LEHOAYYIVFLYFW-CYBMUJFWSA-N 0 0 338.371 1.641 10 0 EDAERN Cc1nnc(CNC(=O)c2coc(NC(=O)c3ccccc3)n2)o1 ZINC000070845943 203082601 /nfs/dbraw/zinc/08/26/01/203082601.db2.gz CGZHWFUCLRSSLI-UHFFFAOYSA-N 0 0 327.300 1.548 10 0 EDAERN C[C@@H](C(=O)Nc1ccccc1F)n1nc(-n2cccn2)ccc1=O ZINC000070873685 203082988 /nfs/dbraw/zinc/08/29/88/203082988.db2.gz PIGLPUPRHPHSIN-NSHDSACASA-N 0 0 327.319 1.768 10 0 EDAERN Cc1ccc(C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 ZINC000070974746 203084724 /nfs/dbraw/zinc/08/47/24/203084724.db2.gz JAGMETGUTBLJNN-UHFFFAOYSA-N 0 0 348.410 1.933 10 0 EDAERN COC(=O)CCS(=O)(=O)NCc1cc(Br)cs1 ZINC000071322247 203092694 /nfs/dbraw/zinc/09/26/94/203092694.db2.gz JSLKBOVTCKAMNS-UHFFFAOYSA-N 0 0 342.236 1.493 10 0 EDAERN Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1Br ZINC000071384141 203093663 /nfs/dbraw/zinc/09/36/63/203093663.db2.gz HGVQKEZTNWQAPM-QMMMGPOBSA-N 0 0 335.223 1.489 10 0 EDAERN Cc1nc2ccc(Cl)cn2c1C(=O)NCCCN1CCOCC1 ZINC000071476924 203098585 /nfs/dbraw/zinc/09/85/85/203098585.db2.gz OWFNVLHMKBRKTK-UHFFFAOYSA-N 0 0 336.823 1.748 10 0 EDAERN COCc1nnc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)s1 ZINC000071516637 203098614 /nfs/dbraw/zinc/09/86/14/203098614.db2.gz HILBSIBSOPEVHN-UHFFFAOYSA-N 0 0 348.306 1.504 10 0 EDAERN C[C@H]1Oc2ccc(S(=O)(=O)Nc3cccc(O)c3)cc2NC1=O ZINC000071538648 203099630 /nfs/dbraw/zinc/09/96/30/203099630.db2.gz IASJUPUAYLJZMC-SECBINFHSA-N 0 0 334.353 1.912 10 0 EDAERN CCCN(CCC(=O)OC)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000071635738 203101450 /nfs/dbraw/zinc/10/14/50/203101450.db2.gz UWHXYGJUTDAKQB-LBPRGKRZSA-N 0 0 346.383 1.473 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)c1cccc(Br)c1N ZINC000071698081 203104042 /nfs/dbraw/zinc/10/40/42/203104042.db2.gz KFELTRQTJHTKIB-SNVBAGLBSA-N 0 0 327.178 1.809 10 0 EDAERN CSC1(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000191882794 138927214 /nfs/dbraw/zinc/92/72/14/138927214.db2.gz NPWNAFNIZDPKOX-UHFFFAOYSA-N 0 0 336.461 1.877 10 0 EDAERN CN1c2ccc(NS(=O)(=O)NCc3ccccc3)cc2OCC1=O ZINC000072166702 203179394 /nfs/dbraw/zinc/17/93/94/203179394.db2.gz IDKICSFCFCFVKP-UHFFFAOYSA-N 0 0 347.396 1.488 10 0 EDAERN COc1cc2[nH]c(=O)n(CCNc3ccccc3)c(=O)c2cc1OC ZINC000072461518 203227880 /nfs/dbraw/zinc/22/78/80/203227880.db2.gz VBPYJZZTCNZEKY-UHFFFAOYSA-N 0 0 341.367 1.819 10 0 EDAERN COC(=O)c1c(C)nn2c1ncc1c2ccn(-c2cccnc2)c1=O ZINC000072465475 203229413 /nfs/dbraw/zinc/22/94/13/203229413.db2.gz LJJRZOJSEYGISU-UHFFFAOYSA-N 0 0 335.323 1.523 10 0 EDAERN CC1=C(C(=O)N2CCOCC2)Cn2nc(-c3ccccc3)nc2N1 ZINC000072466317 203229669 /nfs/dbraw/zinc/22/96/69/203229669.db2.gz OMNPQVYESMKGOR-UHFFFAOYSA-N 0 0 325.372 1.503 10 0 EDAERN Cc1nc(-c2ccc(NC(=O)C(C)(C)N3CCN(C)CC3)cc2)n[nH]1 ZINC000073202717 203259527 /nfs/dbraw/zinc/25/95/27/203259527.db2.gz NXZDUYQYKRNEOS-UHFFFAOYSA-N 0 0 342.447 1.745 10 0 EDAERN CC[C@@H](C)NC(=O)CN1c2cccc(Br)c2C(=O)C1=O ZINC000019966734 212090773 /nfs/dbraw/zinc/09/07/73/212090773.db2.gz APYZFVUNNLMTDN-MRVPVSSYSA-N 0 0 339.189 1.893 10 0 EDAERN CN(C(=O)c1cncc(Cl)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000192353672 138942892 /nfs/dbraw/zinc/94/28/92/138942892.db2.gz HTCJPMYAOPYYKD-NSHDSACASA-N 0 0 332.795 1.661 10 0 EDAERN COc1cc(C=O)cc(Br)c1OCCN1CCOCC1 ZINC000019850431 212076895 /nfs/dbraw/zinc/07/68/95/212076895.db2.gz ZGRWMSQNIATQTR-UHFFFAOYSA-N 0 0 344.205 1.981 10 0 EDAERN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000076098355 203339006 /nfs/dbraw/zinc/33/90/06/203339006.db2.gz ZLEACVWSDQGWQL-WFASDCNBSA-N 0 0 329.400 1.694 10 0 EDAERN Cn1c(CN2CCn3c(nnc3-c3ccccc3)C2)nnc1C1CC1 ZINC000076183083 203339463 /nfs/dbraw/zinc/33/94/63/203339463.db2.gz PARIOCBHZQPQDF-UHFFFAOYSA-N 0 0 335.415 1.967 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000076364668 203350251 /nfs/dbraw/zinc/35/02/51/203350251.db2.gz GLPAIKWKSRZTST-OKILXGFUSA-N 0 0 329.400 1.801 10 0 EDAERN CCOc1ccc(OCCNC(=O)CN2[C@H](C)COC[C@H]2C)cc1 ZINC000077368117 203383650 /nfs/dbraw/zinc/38/36/50/203383650.db2.gz UFXDKJCJAXLRAQ-HUUCEWRRSA-N 0 0 336.432 1.690 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)sc1C ZINC000192880931 138956021 /nfs/dbraw/zinc/95/60/21/138956021.db2.gz HLLRCYQYBKFXNC-GFCCVEGCSA-N 0 0 333.417 1.796 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)sc1C ZINC000193172976 138962907 /nfs/dbraw/zinc/96/29/07/138962907.db2.gz FCGAGLADOUWSIJ-LRDDRELGSA-N 0 0 337.445 1.852 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000083754997 203520254 /nfs/dbraw/zinc/52/02/54/203520254.db2.gz TVXMIMXCWNWYOG-AWEZNQCLSA-N 0 0 327.388 1.739 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000088199924 203561205 /nfs/dbraw/zinc/56/12/05/203561205.db2.gz WXKZLKDFAPTUCQ-MNOVXSKESA-N 0 0 331.376 1.203 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)NCc1ncn(C)n1)c1ccccc1C ZINC000091774968 203650478 /nfs/dbraw/zinc/65/04/78/203650478.db2.gz IVGGCKIZZCSCGG-CQSZACIVSA-N 0 0 345.403 1.617 10 0 EDAERN CN(C)C(=O)c1c(I)cncc1OC1CC1 ZINC000095727022 203766846 /nfs/dbraw/zinc/76/68/46/203766846.db2.gz IGYCQAZEDKQDGR-UHFFFAOYSA-N 0 0 332.141 1.929 10 0 EDAERN CCOC(=O)[C@H](NC(=O)CCc1nnc[nH]1)c1ccc(Cl)cc1 ZINC000194758503 139000125 /nfs/dbraw/zinc/00/01/25/139000125.db2.gz BXPBUWBEOANVIM-CQSZACIVSA-N 0 0 336.779 1.811 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)NC[C@@H](C)N3CCOCC3)c2)n[nH]1 ZINC000103294559 204072840 /nfs/dbraw/zinc/07/28/40/204072840.db2.gz YHZSGYYROWPLBV-GFCCVEGCSA-N 0 0 344.419 1.622 10 0 EDAERN O=C1NCCN1CCOc1ccccc1I ZINC000042418343 204092183 /nfs/dbraw/zinc/09/21/83/204092183.db2.gz OWPXYZKOBVGWTG-UHFFFAOYSA-N 0 0 332.141 1.695 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000102941115 204056228 /nfs/dbraw/zinc/05/62/28/204056228.db2.gz SWOOFNGEBBEPGO-CMPLNLGQSA-N 0 0 343.474 1.609 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000103007184 204059298 /nfs/dbraw/zinc/05/92/98/204059298.db2.gz GUSLWEHCKSIRGJ-INIZCTEOSA-N 0 0 345.443 1.909 10 0 EDAERN CCCN(CC(=O)OCC)S(=O)(=O)c1cc(N)ccc1Cl ZINC000042694031 204126350 /nfs/dbraw/zinc/12/63/50/204126350.db2.gz RHSDXIKPWPTRPC-UHFFFAOYSA-N 0 0 334.825 1.886 10 0 EDAERN CC(C)CN(C1CC1)S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000042560629 204105860 /nfs/dbraw/zinc/10/58/60/204105860.db2.gz DPXKNGBRRCMIIZ-UHFFFAOYSA-N 0 0 332.447 1.143 10 0 EDAERN Cc1csc(CNC(=O)c2cc(N)cc(S(C)(=O)=O)c2)n1 ZINC000042806409 204148158 /nfs/dbraw/zinc/14/81/58/204148158.db2.gz PBGLAGDONXJCSJ-UHFFFAOYSA-N 0 0 325.415 1.367 10 0 EDAERN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCCN(c2cccnn2)CC1 ZINC000105798053 204159640 /nfs/dbraw/zinc/15/96/40/204159640.db2.gz DELMNOORTOJDQI-IXDOHACOSA-N 0 0 345.491 1.882 10 0 EDAERN COc1cccc(C(=O)N2CCCN(c3cccnn3)CC2)c1OC ZINC000105809790 204162711 /nfs/dbraw/zinc/16/27/11/204162711.db2.gz OMGGGOIHCBTAFB-UHFFFAOYSA-N 0 0 342.399 1.846 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)N2CCc3ccccc32)C[C@@H]1C ZINC000105831658 204165608 /nfs/dbraw/zinc/16/56/08/204165608.db2.gz MWFZWECEZBDUOV-HOTGVXAUSA-N 0 0 331.460 1.617 10 0 EDAERN CCNC(=O)c1ccc(C)c(NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000105282066 204140202 /nfs/dbraw/zinc/14/02/02/204140202.db2.gz AXLOXURHWZYQQX-AWEZNQCLSA-N 0 0 334.420 1.197 10 0 EDAERN CNC(=O)c1cc(NC(=O)NC[C@H]2CN(C)CCO2)ccc1Cl ZINC000105279618 204140345 /nfs/dbraw/zinc/14/03/45/204140345.db2.gz FYCRHQUXUITPIR-NSHDSACASA-N 0 0 340.811 1.152 10 0 EDAERN CC(C)COc1ccc(CCNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000106561323 204204001 /nfs/dbraw/zinc/20/40/01/204204001.db2.gz KVDAISOSKHPYHO-SFHVURJKSA-N 0 0 349.475 1.894 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(Cc3cc(C(=O)OC)co3)CC2)n1 ZINC000105865507 204173581 /nfs/dbraw/zinc/17/35/81/204173581.db2.gz KJTVPCKDFUBMPN-GFCCVEGCSA-N 0 0 348.403 1.890 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@H](C)c3nnc(C)o3)CC2)n1 ZINC000105868794 204173659 /nfs/dbraw/zinc/17/36/59/204173659.db2.gz UQNQLVIHRBYXES-GFCCVEGCSA-N 0 0 332.408 1.758 10 0 EDAERN Cc1cccc(C)c1OC[C@@H](O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105889723 204176723 /nfs/dbraw/zinc/17/67/23/204176723.db2.gz DONIFHFRWGXSDM-ROUUACIJSA-N 0 0 345.443 1.641 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3noc(CC)n3)CC2)n1 ZINC000105917311 204180853 /nfs/dbraw/zinc/18/08/53/204180853.db2.gz WFRVGIVHAYIDSS-UHFFFAOYSA-N 0 0 332.408 1.451 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCC[C@H](Cc2noc(C)n2)C1)C(C)C ZINC000108172385 204255449 /nfs/dbraw/zinc/25/54/49/204255449.db2.gz FLLRKFGULDGBBJ-TZMCWYRMSA-N 0 0 338.408 1.540 10 0 EDAERN Cc1nc(COc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3C)cc2)no1 ZINC000108613337 204269425 /nfs/dbraw/zinc/26/94/25/204269425.db2.gz UBZOAHFYZRKRNY-ZANVPECISA-N 0 0 330.344 1.420 10 0 EDAERN CN1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000044564397 204304297 /nfs/dbraw/zinc/30/42/97/204304297.db2.gz HEEZMGATBWQXOO-VIFPVBQESA-N 0 0 348.881 1.812 10 0 EDAERN COC(=O)c1sccc1NC(=O)C1(C(N)=S)CCOCC1 ZINC000044774723 204307176 /nfs/dbraw/zinc/30/71/76/204307176.db2.gz YVEIWFZOONTGCA-UHFFFAOYSA-N 0 0 328.415 1.556 10 0 EDAERN C[C@]1(n2nnnc2-c2ccc(Cl)c(N)c2)CCS(=O)(=O)C1 ZINC000044932258 204311106 /nfs/dbraw/zinc/31/11/06/204311106.db2.gz GJKFJONYOYLNRC-LBPRGKRZSA-N 0 0 327.797 1.109 10 0 EDAERN Nc1ccc(Br)c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000045624540 204328150 /nfs/dbraw/zinc/32/81/50/204328150.db2.gz MHWDFNUZXYUSOK-QMMMGPOBSA-N 0 0 347.234 1.196 10 0 EDAERN O=C(c1cnn(-c2ccccc2)n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111081865 204335032 /nfs/dbraw/zinc/33/50/32/204335032.db2.gz SGCQBSNITBGPBV-OAHLLOKOSA-N 0 0 338.371 1.005 10 0 EDAERN O=C(CCC1CCCC1)NCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111079200 204335204 /nfs/dbraw/zinc/33/52/04/204335204.db2.gz VUUBWQPKZBZXSK-INIZCTEOSA-N 0 0 348.447 1.197 10 0 EDAERN CCc1nnc(CN2CCN(Cc3cc(F)ccc3OC)CC2)n1C ZINC000195028741 139005251 /nfs/dbraw/zinc/00/52/51/139005251.db2.gz ABHCFGIZDPMACR-UHFFFAOYSA-N 0 0 347.438 1.843 10 0 EDAERN COc1ccccc1OCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111089605 204336974 /nfs/dbraw/zinc/33/69/74/204336974.db2.gz OWTBIQHRQZOIBY-AWEZNQCLSA-N 0 0 331.372 1.198 10 0 EDAERN COC[C@H](O)CN(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000047952394 204338365 /nfs/dbraw/zinc/33/83/65/204338365.db2.gz LQQNNNUUIUCMPQ-SECBINFHSA-N 0 0 327.324 1.333 10 0 EDAERN NN=c1[nH]cccc1S(=O)(=O)NCCc1ccc(Cl)cc1 ZINC000048765403 204352781 /nfs/dbraw/zinc/35/27/81/204352781.db2.gz JSRIYSMZWDXJIS-UHFFFAOYSA-N 0 0 326.809 1.542 10 0 EDAERN CN(C[C@H]1CCCCO1)S(=O)(=O)c1ccccc1C(N)=S ZINC000048950289 204360204 /nfs/dbraw/zinc/36/02/04/204360204.db2.gz ZUBYGRVEKIGFMA-LLVKDONJSA-N 0 0 328.459 1.510 10 0 EDAERN CN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000048950285 204361330 /nfs/dbraw/zinc/36/13/30/204361330.db2.gz PPEXOJOGFMXLFZ-GFCCVEGCSA-N 0 0 328.459 1.510 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111713575 204369610 /nfs/dbraw/zinc/36/96/10/204369610.db2.gz VKJCQJMSTMXERO-MRXNPFEDSA-N 0 0 343.387 1.774 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)NCCCn3cccn3)CC2)s1 ZINC000111813562 204373453 /nfs/dbraw/zinc/37/34/53/204373453.db2.gz SIAHQTYQMDXKOI-UHFFFAOYSA-N 0 0 348.476 1.566 10 0 EDAERN NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000111823383 204375238 /nfs/dbraw/zinc/37/52/38/204375238.db2.gz DFFNACDISPESSW-CYBMUJFWSA-N 0 0 346.412 1.525 10 0 EDAERN CN(C(=O)CN1C(=O)C(=O)c2cccc(Br)c21)C1CC1 ZINC000049305892 204377560 /nfs/dbraw/zinc/37/75/60/204377560.db2.gz CAOVYVCOQSNMBX-UHFFFAOYSA-N 0 0 337.173 1.599 10 0 EDAERN CCOc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1OCC ZINC000112658834 204409561 /nfs/dbraw/zinc/40/95/61/204409561.db2.gz CROBPRBTBHNNET-ZDUSSCGKSA-N 0 0 330.388 1.820 10 0 EDAERN COC(=O)[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 ZINC000195081270 139006493 /nfs/dbraw/zinc/00/64/93/139006493.db2.gz LMDBZFMKBZPZTL-MRXNPFEDSA-N 0 0 344.342 1.586 10 0 EDAERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)nc1 ZINC000115205223 204499656 /nfs/dbraw/zinc/49/96/56/204499656.db2.gz QTNOQLCWGRWKMZ-CJNGLKHVSA-N 0 0 327.388 1.672 10 0 EDAERN CCOC(=O)CN(C)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000050086820 204518474 /nfs/dbraw/zinc/51/84/74/204518474.db2.gz ODSNAUCSSJVWRD-UHFFFAOYSA-N 0 0 325.308 1.979 10 0 EDAERN CN(C)c1ccnc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000195489649 139018231 /nfs/dbraw/zinc/01/82/31/139018231.db2.gz XYUGICYPENFPAX-AWEZNQCLSA-N 0 0 345.424 1.796 10 0 EDAERN CCOCCCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117035592 204556105 /nfs/dbraw/zinc/55/61/05/204556105.db2.gz PSBXQUKCFCQMHJ-SFHVURJKSA-N 0 0 349.475 1.864 10 0 EDAERN CCOC(=O)C1CCN(S(=O)(=O)CCCC(F)(F)F)CC1 ZINC000214527936 139020351 /nfs/dbraw/zinc/02/03/51/139020351.db2.gz DVQOOQQVWIKCAB-UHFFFAOYSA-N 0 0 331.356 1.934 10 0 EDAERN CNC(=O)c1ccc(CN(C)C(=O)NCCn2cc(C)cn2)cc1 ZINC000118078653 204585534 /nfs/dbraw/zinc/58/55/34/204585534.db2.gz HFXWRCVBVNATJW-UHFFFAOYSA-N 0 0 329.404 1.393 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)c1 ZINC000118134273 204590230 /nfs/dbraw/zinc/59/02/30/204590230.db2.gz IYODJEIDVNRZAF-UHFFFAOYSA-N 0 0 348.378 1.873 10 0 EDAERN C[C@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)N1CCNC(=O)C1 ZINC000019233118 212006929 /nfs/dbraw/zinc/00/69/29/212006929.db2.gz PSBZIZQUTZDSGP-SSDOTTSWSA-N 0 0 331.203 1.334 10 0 EDAERN O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000263371440 304166180 /nfs/dbraw/zinc/16/61/80/304166180.db2.gz NBWVDNXBMZQBLT-JCKWVBRZSA-N 0 0 335.448 1.900 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@H](CO)C2)c(Br)c1 ZINC000226735564 139022128 /nfs/dbraw/zinc/02/21/28/139022128.db2.gz KTKCXBCGBJGEMR-LBPRGKRZSA-N 0 0 344.205 1.429 10 0 EDAERN COC(=O)c1cccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000153294662 204648792 /nfs/dbraw/zinc/64/87/92/204648792.db2.gz PFPPBUPIJLRVBN-AWEZNQCLSA-N 0 0 343.387 1.707 10 0 EDAERN CN1CCC[C@@H]1CNS(=O)(=O)c1cncc(Br)c1 ZINC000234315705 139025701 /nfs/dbraw/zinc/02/57/01/139025701.db2.gz SVWPDRJGOSTBGN-SNVBAGLBSA-N 0 0 334.239 1.217 10 0 EDAERN Cc1cnn(CCNC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000122267425 204855915 /nfs/dbraw/zinc/85/59/15/204855915.db2.gz LYSCPBSWSNUXBR-UHFFFAOYSA-N 0 0 343.353 1.926 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3)C2)cn1 ZINC000126104532 205040097 /nfs/dbraw/zinc/04/00/97/205040097.db2.gz HCJGUFHOXCDDJC-SNVBAGLBSA-N 0 0 333.779 1.423 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC2 ZINC000155767447 205037786 /nfs/dbraw/zinc/03/77/86/205037786.db2.gz MMVVSNVXSNSGIH-LLVKDONJSA-N 0 0 342.465 1.046 10 0 EDAERN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000126225697 205047032 /nfs/dbraw/zinc/04/70/32/205047032.db2.gz MRZJAUBCPZRMGX-WMZOPIPTSA-N 0 0 349.475 1.690 10 0 EDAERN COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126633981 205064869 /nfs/dbraw/zinc/06/48/69/205064869.db2.gz RKKMHOFKQMDOLT-KGLIPLIRSA-N 0 0 337.424 1.287 10 0 EDAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000156389835 205084165 /nfs/dbraw/zinc/08/41/65/205084165.db2.gz PBQGFYLEMFOFSF-AWEZNQCLSA-N 0 0 335.452 1.030 10 0 EDAERN CS(=O)(=O)Nc1cc2sc(=NN)[nH]c2c(Br)c1 ZINC000226314428 205126426 /nfs/dbraw/zinc/12/64/26/205126426.db2.gz MJWKOGGSRAEKDO-UHFFFAOYSA-N 0 0 337.224 1.716 10 0 EDAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)CCCC(=O)OC)C1 ZINC000128521628 205149805 /nfs/dbraw/zinc/14/98/05/205149805.db2.gz UTKGHCWNKAOSGP-ZDUSSCGKSA-N 0 0 343.449 1.365 10 0 EDAERN CCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000129263246 205186649 /nfs/dbraw/zinc/18/66/49/205186649.db2.gz KWAMMDBDZFGUSQ-AWEZNQCLSA-N 0 0 343.387 1.657 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000111091093 220099605 /nfs/dbraw/zinc/09/96/05/220099605.db2.gz YTWXTLIURSRHIA-SNVBAGLBSA-N 0 0 325.328 1.822 10 0 EDAERN CCS[C@H](C)c1noc(CN2CCO[C@H](Cn3cccn3)C2)n1 ZINC000130027694 205220017 /nfs/dbraw/zinc/22/00/17/205220017.db2.gz GRRBOSLDPZTXEC-OLZOCXBDSA-N 0 0 337.449 1.981 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000130725246 205254211 /nfs/dbraw/zinc/25/42/11/205254211.db2.gz POWUSSBMVRIGHE-NEPJUHHUSA-N 0 0 333.356 1.716 10 0 EDAERN Cc1cnc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)s1 ZINC000130826581 205261249 /nfs/dbraw/zinc/26/12/49/205261249.db2.gz WLZOHKVYIACXOH-UHFFFAOYSA-N 0 0 344.404 1.243 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC)c2)C1 ZINC000130869023 205262349 /nfs/dbraw/zinc/26/23/49/205262349.db2.gz VVIJESNFMYZYMR-AWEZNQCLSA-N 0 0 344.419 1.464 10 0 EDAERN NS(=O)(=O)c1ccc(Cl)c(NC(=O)NCC(F)(F)F)c1 ZINC000158120408 205296934 /nfs/dbraw/zinc/29/69/34/205296934.db2.gz IBMGANGNMNNXQH-UHFFFAOYSA-N 0 0 331.703 1.671 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc2c1oc(=O)n2C ZINC000132487939 205329083 /nfs/dbraw/zinc/32/90/83/205329083.db2.gz FHAUELCUBNFJIS-NSHDSACASA-N 0 0 341.371 1.550 10 0 EDAERN COC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c(F)c1 ZINC000131925222 205308194 /nfs/dbraw/zinc/30/81/94/205308194.db2.gz WVKAGEDXFTVFCE-SNVBAGLBSA-N 0 0 333.323 1.340 10 0 EDAERN CS[C@H](C)CNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000134014381 205388972 /nfs/dbraw/zinc/38/89/72/205388972.db2.gz VTIZYOVAHLPXLP-ZIAGYGMSSA-N 0 0 326.466 1.662 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000152510575 205754814 /nfs/dbraw/zinc/75/48/14/205754814.db2.gz NOZSXGSLEGLCEN-CQSZACIVSA-N 0 0 344.419 1.719 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccnn3C(C)C)CCO2)c1 ZINC000112104050 220243463 /nfs/dbraw/zinc/24/34/63/220243463.db2.gz WUCRPJQMCRVJBF-AWEZNQCLSA-N 0 0 332.408 1.902 10 0 EDAERN Cc1cc(F)cc2c(O)c(C(=O)NC[C@@H](C)N3CCOCC3)cnc12 ZINC000155425894 206006646 /nfs/dbraw/zinc/00/66/46/206006646.db2.gz AAQVYGADGRULIN-GFCCVEGCSA-N 0 0 347.390 1.426 10 0 EDAERN C[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCS1(=O)=O ZINC000155612141 206020295 /nfs/dbraw/zinc/02/02/95/206020295.db2.gz TYKFWVJFTJPDIB-WFASDCNBSA-N 0 0 347.864 1.336 10 0 EDAERN CCN(CCNC(=O)N1CCC[C@@H]1C(=O)NC)c1ccccc1C ZINC000156009395 206048656 /nfs/dbraw/zinc/04/86/56/206048656.db2.gz WPPXXOOFUKWGOV-MRXNPFEDSA-N 0 0 332.448 1.741 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ncn(-c2ccccc2)n1 ZINC000157109365 206116371 /nfs/dbraw/zinc/11/63/71/206116371.db2.gz IPRDGNHMZMRHME-CQSZACIVSA-N 0 0 349.398 1.456 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](COCC(C)C)c1ccco1 ZINC000157850373 206159621 /nfs/dbraw/zinc/15/96/21/206159621.db2.gz ZUNPXWGHJRBMIP-ZIAGYGMSSA-N 0 0 337.420 1.913 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000157602494 206146022 /nfs/dbraw/zinc/14/60/22/206146022.db2.gz LFEAQSMLGXKEQX-GXSJLCMTSA-N 0 0 348.325 1.051 10 0 EDAERN Nc1cc(=O)[nH]c(Sc2cc(Br)c(F)cc2N)n1 ZINC000158076352 206171810 /nfs/dbraw/zinc/17/18/10/206171810.db2.gz QTWMTJPXLXCYGY-UHFFFAOYSA-N 0 0 331.170 1.987 10 0 EDAERN CCc1nn(C)c(C[C@@H](NN)[C@@H]2CCSC2)c1Br ZINC000157930238 206163692 /nfs/dbraw/zinc/16/36/92/206163692.db2.gz ILYPGPBYHZXKTM-PSASIEDQSA-N 0 0 333.299 1.873 10 0 EDAERN Cc1cc(C[C@H](C)NC(=O)N2CCC(c3ccnn3C)CC2)[nH]n1 ZINC000158291720 206183719 /nfs/dbraw/zinc/18/37/19/206183719.db2.gz RXEOLQAFXANHKZ-LBPRGKRZSA-N 0 0 330.436 1.972 10 0 EDAERN CC(C)n1ncc(NCCC[S@](C)=O)c(Br)c1=O ZINC000158738530 206206886 /nfs/dbraw/zinc/20/68/86/206206886.db2.gz BHQWYEYMSXMWOG-GOSISDBHSA-N 0 0 336.255 1.767 10 0 EDAERN CCc1nc(S(N)(=O)=O)cn1Cc1ccc(Br)cc1 ZINC000159401207 206244815 /nfs/dbraw/zinc/24/48/15/206244815.db2.gz UAHRNWPTLVXZME-UHFFFAOYSA-N 0 0 344.234 1.904 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000246384999 139106581 /nfs/dbraw/zinc/10/65/81/139106581.db2.gz BLUIEFQNXGEJGI-CZUORRHYSA-N 0 0 342.436 1.308 10 0 EDAERN C[C@@H]1CN(Cc2nc(N)c3ccccc3n2)C[C@H]1N1CCOCC1 ZINC000246430876 139108273 /nfs/dbraw/zinc/10/82/73/139108273.db2.gz LEILWUGJUZCRNI-CZUORRHYSA-N 0 0 327.432 1.365 10 0 EDAERN C[C@H]1CN(Cc2noc(-c3ccccc3)n2)C[C@H]1N1CCOCC1 ZINC000246614628 139115019 /nfs/dbraw/zinc/11/50/19/139115019.db2.gz YILAWZJZQXDUGC-GOEBONIOSA-N 0 0 328.416 1.889 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)c2cnns2)c2cccs2)CCO1 ZINC000246706386 139117978 /nfs/dbraw/zinc/11/79/78/139117978.db2.gz FKGHJTYEYJTZAG-GHMZBOCLSA-N 0 0 338.458 1.791 10 0 EDAERN CC(=O)NC[C@H]1CN(c2cc(N3CCC[C@@H](C)C3)ncn2)CCO1 ZINC000246799908 139121970 /nfs/dbraw/zinc/12/19/70/139121970.db2.gz YOPODSVPKBCYRE-HIFRSBDPSA-N 0 0 333.436 1.054 10 0 EDAERN C[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(CO)cc1Br ZINC000160732173 206311172 /nfs/dbraw/zinc/31/11/72/206311172.db2.gz PJSMVAXAAFCEFE-WCBMZHEXSA-N 0 0 334.235 1.876 10 0 EDAERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)c1cncc(Br)c1 ZINC000160605244 206305943 /nfs/dbraw/zinc/30/59/43/206305943.db2.gz TXRIRMYOUUQCRB-LDYMZIIASA-N 0 0 335.223 1.642 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CO)C1 ZINC000161475877 206352249 /nfs/dbraw/zinc/35/22/49/206352249.db2.gz QGHQHWNQGLNVGM-QMMMGPOBSA-N 0 0 335.223 1.034 10 0 EDAERN CC(C)(CO)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161870566 206374066 /nfs/dbraw/zinc/37/40/66/206374066.db2.gz VNQPWJVZIDOIRZ-UHFFFAOYSA-N 0 0 326.187 1.637 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000163578465 206462280 /nfs/dbraw/zinc/46/22/80/206462280.db2.gz AICSBJSMFVCPLH-LBPRGKRZSA-N 0 0 342.754 1.972 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247116604 139136496 /nfs/dbraw/zinc/13/64/96/139136496.db2.gz QWOFSCOSWKDFQR-FZMZJTMJSA-N 0 0 347.868 1.698 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3CCCC[C@H]3C)CC2)nn1 ZINC000247144368 139137508 /nfs/dbraw/zinc/13/75/08/139137508.db2.gz LFCDLDKGZHOESJ-MRXNPFEDSA-N 0 0 331.464 1.698 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)CC2CCCCC2)C[C@H]1C ZINC000247251766 139142324 /nfs/dbraw/zinc/14/23/24/139142324.db2.gz XSFADKPSEMSYCQ-OAHLLOKOSA-N 0 0 332.510 1.939 10 0 EDAERN CCN1C(=O)C(c2ccc(OC)cc2)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O ZINC000170028169 206569873 /nfs/dbraw/zinc/56/98/73/206569873.db2.gz DYAUUQQEAQCPKZ-STQMWFEESA-N 0 0 344.411 1.904 10 0 EDAERN CCn1nc(C)c(Br)c1CN1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000169034474 206547329 /nfs/dbraw/zinc/54/73/29/206547329.db2.gz UDEVIHMRCZAIMW-VHSXEESVSA-N 0 0 346.225 1.082 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)Nc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000247571453 139152733 /nfs/dbraw/zinc/15/27/33/139152733.db2.gz RVDOKSLOFWYAKA-RYUDHWBXSA-N 0 0 338.477 1.941 10 0 EDAERN CC[C@H]1CN(C(=O)NCc2ccn3ccnc3c2)CC[N@@H+]1C[C@H](C)O ZINC000248506340 139166265 /nfs/dbraw/zinc/16/62/65/139166265.db2.gz WSELYDHDWLKECE-HOCLYGCPSA-N 0 0 345.447 1.321 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CNC(=O)CC(C)(C)C ZINC000249760405 139198321 /nfs/dbraw/zinc/19/83/21/139198321.db2.gz XLXQBPLBOBFECH-MJBXVCDLSA-N 0 0 338.448 1.872 10 0 EDAERN NS(=O)(=O)c1ccc(OCCN2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249736567 139197845 /nfs/dbraw/zinc/19/78/45/139197845.db2.gz WHWJMOPQUAEHME-CVEARBPZSA-N 0 0 340.445 1.356 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCc2cccc(C(N)=O)c2)cn1 ZINC000171470754 206709135 /nfs/dbraw/zinc/70/91/35/206709135.db2.gz ZBDNSGGCWPYKML-INIZCTEOSA-N 0 0 341.415 1.608 10 0 EDAERN C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000252661724 139205007 /nfs/dbraw/zinc/20/50/07/139205007.db2.gz OLHLXKPPGSLXCC-QWRGUYRKSA-N 0 0 332.857 1.321 10 0 EDAERN COCc1cccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000172075861 206785526 /nfs/dbraw/zinc/78/55/26/206785526.db2.gz DJYVMEUTCAMKED-AWEZNQCLSA-N 0 0 335.429 1.745 10 0 EDAERN C[C@H](NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCCO1 ZINC000172767592 206867919 /nfs/dbraw/zinc/86/79/19/206867919.db2.gz ANNPWVSOZWBHRX-RRQGHBQHSA-N 0 0 336.407 1.883 10 0 EDAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000173338116 206917987 /nfs/dbraw/zinc/91/79/87/206917987.db2.gz YTKHMURMDMPOKD-GOEBONIOSA-N 0 0 333.432 1.758 10 0 EDAERN Cc1c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cnn1-c1ccccn1 ZINC000174327247 207011624 /nfs/dbraw/zinc/01/16/24/207011624.db2.gz MKCGXEHBJKUIDE-UONOGXRCSA-N 0 0 343.431 1.103 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000174650691 207042782 /nfs/dbraw/zinc/04/27/82/207042782.db2.gz PDVMHLIWDKJOKV-KRWDZBQOSA-N 0 0 326.400 1.637 10 0 EDAERN NC(=O)c1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)nc1 ZINC000174865536 207066586 /nfs/dbraw/zinc/06/65/86/207066586.db2.gz IZGXXEYPIMTJDR-WBVHZDCISA-N 0 0 339.395 1.909 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000174876049 207066726 /nfs/dbraw/zinc/06/67/26/207066726.db2.gz JYVCVCMAOKABJE-GOSISDBHSA-N 0 0 342.443 1.415 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(F)cc3F)C2=O)n(C)n1 ZINC000175020106 207084897 /nfs/dbraw/zinc/08/48/97/207084897.db2.gz XHDWRRDXUVFORS-CQSZACIVSA-N 0 0 348.353 1.932 10 0 EDAERN CSc1ccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)o1 ZINC000174986343 207080856 /nfs/dbraw/zinc/08/08/56/207080856.db2.gz GYUVFDOIRSVDOF-NSHDSACASA-N 0 0 348.428 1.969 10 0 EDAERN Cc1nnnn1-c1cccc(NC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000175918458 207174278 /nfs/dbraw/zinc/17/42/78/207174278.db2.gz CZNVSRMRCAALCY-ZDUSSCGKSA-N 0 0 339.363 1.219 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176101494 207190454 /nfs/dbraw/zinc/19/04/54/207190454.db2.gz BYZHSXVQRWATHI-LBPRGKRZSA-N 0 0 333.779 1.830 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000176475489 207231408 /nfs/dbraw/zinc/23/14/08/207231408.db2.gz XDRZFHPQFWKTMG-PXAZEXFGSA-N 0 0 349.435 1.356 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1nccnc1N ZINC000176529055 207235995 /nfs/dbraw/zinc/23/59/95/207235995.db2.gz KNAACYKWESYSAN-GFCCVEGCSA-N 0 0 347.444 1.266 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2C)C1 ZINC000176662065 207247140 /nfs/dbraw/zinc/24/71/40/207247140.db2.gz ZSPNZKBCJNUCIG-CYBMUJFWSA-N 0 0 344.419 1.290 10 0 EDAERN C[C@@H]1CN(Cc2nc(Cc3ccccc3)no2)C[C@@H]1N1CCOCC1 ZINC000177217534 207307933 /nfs/dbraw/zinc/30/79/33/207307933.db2.gz LKKVJFHYRUHANH-WBVHZDCISA-N 0 0 342.443 1.813 10 0 EDAERN COc1cccc(CNC(=O)N[C@@H]2CCCn3ncnc32)c1OC ZINC000177324194 207319772 /nfs/dbraw/zinc/31/97/72/207319772.db2.gz WOEQZJUHBFDSKC-GFCCVEGCSA-N 0 0 331.376 1.630 10 0 EDAERN O=C(NCCNC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000177381388 207328039 /nfs/dbraw/zinc/32/80/39/207328039.db2.gz NTVAPHQKHHXIRU-MRXNPFEDSA-N 0 0 341.415 1.487 10 0 EDAERN O=C(CCSC[C@H](O)CO)Nc1ccc(Br)cc1 ZINC000177431525 207336211 /nfs/dbraw/zinc/33/62/11/207336211.db2.gz MCPIBOVNALMLHJ-LLVKDONJSA-N 0 0 334.235 1.864 10 0 EDAERN O=C(CNC(=O)c1ccc(F)c(F)c1)NC[C@H]1CCCC[C@H]1O ZINC000177550883 207351485 /nfs/dbraw/zinc/35/14/85/207351485.db2.gz DCSVFSANYNVADC-BXUZGUMPSA-N 0 0 326.343 1.362 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177522704 207348256 /nfs/dbraw/zinc/34/82/56/207348256.db2.gz XSCSEBJAAMWKCI-NSHDSACASA-N 0 0 349.416 1.459 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3)C2)no1 ZINC000177595568 207361249 /nfs/dbraw/zinc/36/12/49/207361249.db2.gz NFEXXJHIKMDWJD-GFCCVEGCSA-N 0 0 346.362 1.937 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000177651600 207370785 /nfs/dbraw/zinc/37/07/85/207370785.db2.gz YWMGTFOBXADJCE-INIZCTEOSA-N 0 0 342.399 1.312 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000177732803 207387804 /nfs/dbraw/zinc/38/78/04/207387804.db2.gz NLLGSIFZBAOLAA-CQSZACIVSA-N 0 0 337.387 1.741 10 0 EDAERN O=C(CCC1CCCC1)NCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177815439 207399429 /nfs/dbraw/zinc/39/94/29/207399429.db2.gz RHEBYVCXSPEICJ-MRXNPFEDSA-N 0 0 332.448 1.961 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000181270982 207910788 /nfs/dbraw/zinc/91/07/88/207910788.db2.gz XDIIBOUFLPYSHV-CQSZACIVSA-N 0 0 336.417 1.740 10 0 EDAERN CN1CC[NH2+]C[C@H]1c1noc(-c2csc(-c3cnccn3)n2)n1 ZINC000263234350 139329999 /nfs/dbraw/zinc/32/99/99/139329999.db2.gz NUPLUILLNASTAP-NSHDSACASA-N 0 0 329.389 1.226 10 0 EDAERN CO[C@H](C)COc1c(C)cc(Br)cc1S(N)(=O)=O ZINC000167240253 533098315 /nfs/dbraw/zinc/09/83/15/533098315.db2.gz AUWUGDCQENPGKM-MRVPVSSYSA-N 0 0 338.223 1.819 10 0 EDAERN Cc1ccc2c(c1)[C@H](N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)[C@H](C)C2 ZINC000263528015 139346639 /nfs/dbraw/zinc/34/66/39/139346639.db2.gz UYEWTGQDASLBBJ-IDHHARJASA-N 0 0 332.444 1.946 10 0 EDAERN COC[C@@H](O)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000152194484 285243753 /nfs/dbraw/zinc/24/37/53/285243753.db2.gz UICIWTHYSUCZGI-STQMWFEESA-N 0 0 334.338 1.857 10 0 EDAERN COCCN1CCN(C(=O)CNC(=O)CCC2CCCC2)C[C@H]1C ZINC000117284050 221043099 /nfs/dbraw/zinc/04/30/99/221043099.db2.gz RTHXQCZGBHYPTQ-OAHLLOKOSA-N 0 0 339.480 1.252 10 0 EDAERN COCCN1CCN(C(=O)CSC[C@@H]2CCCCO2)C[C@H]1C ZINC000117295233 221047366 /nfs/dbraw/zinc/04/73/66/221047366.db2.gz VMFHTWPOODPTHZ-CABCVRRESA-N 0 0 330.494 1.468 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2-n2cccn2)c1 ZINC000118133976 221128008 /nfs/dbraw/zinc/12/80/08/221128008.db2.gz QVLIZFBIHRAHOI-UHFFFAOYSA-N 0 0 338.371 1.132 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)c2coc(S(=O)(=O)N(C)C)c2)o1 ZINC000119503783 221335286 /nfs/dbraw/zinc/33/52/86/221335286.db2.gz OMNSVBVZYKFNOU-SNVBAGLBSA-N 0 0 326.374 1.922 10 0 EDAERN COc1c(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(C)nn1C ZINC000119767210 221395970 /nfs/dbraw/zinc/39/59/70/221395970.db2.gz BWMPIMLWOKQDTP-GFCCVEGCSA-N 0 0 332.408 1.170 10 0 EDAERN Cc1ccc(N2CC[C@@H]3O[C@H](C(=O)NCc4ccco4)CC[C@@H]32)nn1 ZINC000247926078 257673084 /nfs/dbraw/zinc/67/30/84/257673084.db2.gz PMSBBYXGJVUCLY-JYJNAYRXSA-N 0 0 342.399 1.821 10 0 EDAERN COC[C@@H]1CCC[C@@]12CN(S(=O)(=O)c1cccs1)CCO2 ZINC000247849790 257676844 /nfs/dbraw/zinc/67/68/44/257676844.db2.gz OGWZXKCZVLJEOR-GXTWGEPZSA-N 0 0 331.459 1.954 10 0 EDAERN Fc1cccnc1OC[C@@H]1CN(c2ncccn2)Cc2ccnn21 ZINC000306124726 257917839 /nfs/dbraw/zinc/91/78/39/257917839.db2.gz BXTKUDXSRCDDMO-ZDUSSCGKSA-N 0 0 326.335 1.848 10 0 EDAERN CCOC(=O)c1ccc(N2CCN(Cc3nnc(C)n3C)CC2)nc1 ZINC000052558458 132184418 /nfs/dbraw/zinc/18/44/18/132184418.db2.gz SEIGHXATOUKKOF-UHFFFAOYSA-N 0 0 344.419 1.017 10 0 EDAERN O=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)CO1)[C@@H]1CCCO1 ZINC000041418173 132410296 /nfs/dbraw/zinc/41/02/96/132410296.db2.gz UOBNHNASKVLTOJ-KBPBESRZSA-N 0 0 338.791 1.367 10 0 EDAERN Cc1cccc(=O)n1[C@H](C)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000071512365 132814435 /nfs/dbraw/zinc/81/44/35/132814435.db2.gz IZQPLLMQMGQRBP-GFCCVEGCSA-N 0 0 326.352 1.956 10 0 EDAERN O=C(c1cccc(C(=O)N2[C@@H]3CC[C@H]2CC(=O)C3)n1)N1CCCC1 ZINC000329201584 140700591 /nfs/dbraw/zinc/70/05/91/140700591.db2.gz WPBVGDKQSXJOQM-BETUJISGSA-N 0 0 327.384 1.654 10 0 EDAERN COc1c(CNC(=O)Nc2cc([C@@H]3CCCO3)nn2C)c(C)nn1C ZINC000333000873 141249078 /nfs/dbraw/zinc/24/90/78/141249078.db2.gz AVNBITWZFHRFAZ-ZDUSSCGKSA-N 0 0 348.407 1.644 10 0 EDAERN COc1ccc(C(=O)N2CC(C(C)(C)O)C2)cc1-c1ccn(C)n1 ZINC000333036575 141253646 /nfs/dbraw/zinc/25/36/46/141253646.db2.gz ISUBOWSAPIAZMN-UHFFFAOYSA-N 0 0 329.400 1.939 10 0 EDAERN Cc1nc(S(=O)(=O)N2CCC[C@@H](c3nnc[nH]3)C2)sc1C ZINC000333295372 141294253 /nfs/dbraw/zinc/29/42/53/141294253.db2.gz RZXJOQYRSWNVNO-SNVBAGLBSA-N 0 0 327.435 1.446 10 0 EDAERN C[C@H](C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O)N1CCOCC1 ZINC000333411862 141314033 /nfs/dbraw/zinc/31/40/33/141314033.db2.gz DGFBVSWZGOZXFJ-ZBFHGGJFSA-N 0 0 337.464 1.147 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)C1 ZINC000188386008 292179906 /nfs/dbraw/zinc/17/99/06/292179906.db2.gz BGCHQJSUHJRTHU-MRXNPFEDSA-N 0 0 333.432 1.930 10 0 EDAERN CCOCCS(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000128744963 286117327 /nfs/dbraw/zinc/11/73/27/286117327.db2.gz MFSOBMXBBDOHRD-CYBMUJFWSA-N 0 0 342.465 1.508 10 0 EDAERN C[C@@H](NC(=O)N(CCO)CCOCC(F)(F)F)[C@H]1CCCO1 ZINC000073720099 287263518 /nfs/dbraw/zinc/26/35/18/287263518.db2.gz IIPSEADYZRQFIA-GHMZBOCLSA-N 0 0 328.331 1.137 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000073814528 287265329 /nfs/dbraw/zinc/26/53/29/287265329.db2.gz FBZPYTPMZVIFNH-HUUCEWRRSA-N 0 0 335.452 1.562 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)C1 ZINC000074547247 287271721 /nfs/dbraw/zinc/27/17/21/287271721.db2.gz FDJADXZDYWNWPJ-ZIAGYGMSSA-N 0 0 327.469 1.874 10 0 EDAERN O=C(c1c(Cl)cccc1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000093295263 304475229 /nfs/dbraw/zinc/47/52/29/304475229.db2.gz FBNUXEHUIGNFPT-ZDUSSCGKSA-N 0 0 328.155 1.418 10 0 EDAERN O=C(CN1CCC(Cn2cccn2)CC1)Nc1ccc2c(c1)OCO2 ZINC000090473282 287330269 /nfs/dbraw/zinc/33/02/69/287330269.db2.gz QXHJWGNGYFLWMQ-UHFFFAOYSA-N 0 0 342.399 1.963 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)NC1CCC(C)CC1 ZINC000091049930 287331943 /nfs/dbraw/zinc/33/19/43/287331943.db2.gz VFRCXCKFGICIPX-UHFFFAOYSA-N 0 0 342.465 1.216 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)[C@@H](C)C(=O)N1CCCCCC1 ZINC000091049793 287332066 /nfs/dbraw/zinc/33/20/66/287332066.db2.gz TUOFGQHWPIKAOW-LBPRGKRZSA-N 0 0 342.465 1.312 10 0 EDAERN Cc1ccc(CCNC(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000111886550 287338804 /nfs/dbraw/zinc/33/88/04/287338804.db2.gz YOWUHGRBDAIDCV-INIZCTEOSA-N 0 0 329.404 1.240 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)CCn1cccn1 ZINC000165770866 226135243 /nfs/dbraw/zinc/13/52/43/226135243.db2.gz HQXRSHOHHRLGPN-UHFFFAOYSA-N 0 0 330.207 1.702 10 0 EDAERN C[C@@H](Cn1c(=O)[nH]c(Cl)c(-c2ccccc2)c1=O)[S@@](C)=O ZINC000166737868 226168184 /nfs/dbraw/zinc/16/81/84/226168184.db2.gz GVONCXZLBYQWKN-FPVGNUTFSA-N 0 0 326.805 1.624 10 0 EDAERN Nc1noc([C@H]2CCCCS2(=O)=O)c1I ZINC000168005342 226205404 /nfs/dbraw/zinc/20/54/04/226205404.db2.gz FERMRVVOXHWJGH-RXMQYKEDSA-N 0 0 342.158 1.501 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)C[C@H]1N1CCOCC1 ZINC000173820878 296923975 /nfs/dbraw/zinc/92/39/75/296923975.db2.gz WSVIGGJAVNTAIQ-RHSMWYFYSA-N 0 0 345.443 1.181 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000121267407 221801350 /nfs/dbraw/zinc/80/13/50/221801350.db2.gz JQRDRQPSVGOORZ-LLVKDONJSA-N 0 0 325.315 1.030 10 0 EDAERN CCC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000122187689 222033673 /nfs/dbraw/zinc/03/36/73/222033673.db2.gz NVJDRUOSBIJRIM-GXTWGEPZSA-N 0 0 332.404 1.324 10 0 EDAERN C[C@H](NC(=O)NCCNc1nccc(C(F)(F)F)n1)[C@H]1CCCO1 ZINC000122816890 222163897 /nfs/dbraw/zinc/16/38/97/222163897.db2.gz XVYNRDHGHZNNTL-VHSXEESVSA-N 0 0 347.341 1.774 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123401134 222271348 /nfs/dbraw/zinc/27/13/48/222271348.db2.gz LFWDVWIYZXPBAG-SUMWQHHRSA-N 0 0 334.420 1.556 10 0 EDAERN C[C@@H]1C(=O)N(C)CCN1C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000188531365 272957790 /nfs/dbraw/zinc/95/77/90/272957790.db2.gz AFDJSNBIBQFGGY-DIOULYMOSA-N 0 0 347.390 1.034 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000188576642 272958511 /nfs/dbraw/zinc/95/85/11/272958511.db2.gz FNDFTAHHBRRBNB-SNVBAGLBSA-N 0 0 329.399 1.723 10 0 EDAERN CSCCn1cnc(Cl)c(I)c1=O ZINC000166355679 533684992 /nfs/dbraw/zinc/68/49/92/533684992.db2.gz POMWBYMBGHZOIA-UHFFFAOYSA-N 0 0 330.578 1.864 10 0 EDAERN CCO[C@@H]1C[C@@](NCc2nnc(C(C)C)n2C)(C(=O)OC)C1(C)C ZINC000189870179 272969731 /nfs/dbraw/zinc/96/97/31/272969731.db2.gz VMAZBIFDRXARHP-SJKOYZFVSA-N 0 0 338.452 1.775 10 0 EDAERN COc1ccc(Nc2nc(C(=O)N3CC(NC(C)=O)C3)cs2)cc1 ZINC000191492443 272979910 /nfs/dbraw/zinc/97/99/10/272979910.db2.gz QVQBPXUFKDQODA-UHFFFAOYSA-N 0 0 346.412 1.856 10 0 EDAERN CN(C)c1noc(CNC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000191900464 272982557 /nfs/dbraw/zinc/98/25/57/272982557.db2.gz ZQLYTNPJVODSQU-GFCCVEGCSA-N 0 0 339.440 1.872 10 0 EDAERN COC(=O)C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCO1 ZINC000175477514 267551381 /nfs/dbraw/zinc/55/13/81/267551381.db2.gz WSQKSASQKLDBKD-JQWIXIFHSA-N 0 0 342.342 1.999 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(C)C ZINC000178852287 267593359 /nfs/dbraw/zinc/59/33/59/267593359.db2.gz LUWREKKLUWQBFY-CQSZACIVSA-N 0 0 329.404 1.385 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCC2(CCO)CC2)C1 ZINC000187962036 267744801 /nfs/dbraw/zinc/74/48/01/267744801.db2.gz ARJVMMWGPMLJOD-OLZOCXBDSA-N 0 0 326.437 1.959 10 0 EDAERN C[C@@H](NC(=O)CCC1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000173083528 272933132 /nfs/dbraw/zinc/93/31/32/272933132.db2.gz OSJLBOWNRHIDOJ-GFCCVEGCSA-N 0 0 340.445 1.718 10 0 EDAERN CSc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173998551 272935033 /nfs/dbraw/zinc/93/50/33/272935033.db2.gz CCRQYRXNTSPUEY-CYBMUJFWSA-N 0 0 342.486 1.504 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCOC1CCCC1 ZINC000177973798 272942676 /nfs/dbraw/zinc/94/26/76/272942676.db2.gz LFCAYNYFTOWHKE-CYBMUJFWSA-N 0 0 337.424 1.518 10 0 EDAERN CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112657878 276020400 /nfs/dbraw/zinc/02/04/00/276020400.db2.gz KJFIRRWLJUVQQG-GFCCVEGCSA-N 0 0 348.428 1.207 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000247235266 276596717 /nfs/dbraw/zinc/59/67/17/276596717.db2.gz OGKHRURCTQRMOK-BFHYXJOUSA-N 0 0 338.398 1.983 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(NC(=O)N(C)C)c2)C1 ZINC000119203141 278144949 /nfs/dbraw/zinc/14/49/49/278144949.db2.gz UMOHQXZKNACMEO-OAHLLOKOSA-N 0 0 332.404 1.521 10 0 EDAERN CC(C)[C@@H]1N(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@]12CCCO2 ZINC000329327856 280040125 /nfs/dbraw/zinc/04/01/25/280040125.db2.gz KCJQUSVLTZHTDD-DZGCQCFKSA-N 0 0 329.462 1.760 10 0 EDAERN CC(C)[C@@H]1N(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C[C@]12CCCO2 ZINC000329347622 280041792 /nfs/dbraw/zinc/04/17/92/280041792.db2.gz VQJDSNNWMWSHQS-QMYADUOMSA-N 0 0 348.443 1.578 10 0 EDAERN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3nccnc3C)C2=O)n(C)n1 ZINC000188350058 280551613 /nfs/dbraw/zinc/55/16/13/280551613.db2.gz ZYPSYIMVXXTTAJ-UONOGXRCSA-N 0 0 328.420 1.673 10 0 EDAERN CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2c2nccs2)nn1 ZINC000115367164 288972278 /nfs/dbraw/zinc/97/22/78/288972278.db2.gz VEIYPINWJLNASZ-LBPRGKRZSA-N 0 0 348.432 1.190 10 0 EDAERN CN1N=C(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)CCC1=O ZINC000176452460 290313582 /nfs/dbraw/zinc/31/35/82/290313582.db2.gz CZZYKMFMFKQULQ-CYBMUJFWSA-N 0 0 344.419 1.276 10 0 EDAERN NC(=O)CN1CCc2ccc(NC(=O)N3C[C@H]4CC[C@@H](C3)O4)cc2C1 ZINC000333034091 295008206 /nfs/dbraw/zinc/00/82/06/295008206.db2.gz NCGBTYRAFGWCJV-IYBDPMFKSA-N 0 0 344.415 1.975 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000133908549 295119929 /nfs/dbraw/zinc/11/99/29/295119929.db2.gz SAXNMYQLNHORJB-JTQLQIEISA-N 0 0 336.697 1.685 10 0 EDAERN O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000329908824 303555845 /nfs/dbraw/zinc/55/58/45/303555845.db2.gz UOHXDZJVUWMXBA-KDOFPFPSSA-N 0 0 333.432 1.747 10 0 EDAERN NC(=O)[C@@H]1CN(C(=O)c2ccnc3ccncc32)C[C@H]1C(F)(F)F ZINC000299742109 303656797 /nfs/dbraw/zinc/65/67/97/303656797.db2.gz GYEJIYNZGGXQOQ-GHMZBOCLSA-N 0 0 338.289 1.366 10 0 EDAERN CCn1c(C)nnc1CN1CC[C@](NC(C)=O)(c2nc(C)cs2)C1 ZINC000548665024 306133992 /nfs/dbraw/zinc/13/39/92/306133992.db2.gz KHDJSTPSBXZNPZ-MRXNPFEDSA-N 0 0 348.476 1.609 10 0 EDAERN CCN1CCN(CC(=O)N[C@H](C)c2ccc(C(C)C)cc2)C(=O)C1=O ZINC000045882931 441054360 /nfs/dbraw/zinc/05/43/60/441054360.db2.gz UNMRMUUJINAQSO-CQSZACIVSA-N 0 0 345.443 1.678 10 0 EDAERN C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000047934967 441239550 /nfs/dbraw/zinc/23/95/50/441239550.db2.gz XSALVWBVTUSGIO-LLVKDONJSA-N 0 0 341.358 1.574 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1F ZINC000081073708 441228083 /nfs/dbraw/zinc/22/80/83/441228083.db2.gz WPAVKHQIOLHPRE-NSHDSACASA-N 0 0 328.344 1.678 10 0 EDAERN O=C(NCc1[nH]nc2c1CCC2)c1cnc(CN2CCCC2)s1 ZINC000019113245 441254247 /nfs/dbraw/zinc/25/42/47/441254247.db2.gz VSYHWTHLRSYSOE-UHFFFAOYSA-N 0 0 331.445 1.881 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)NC(C)C ZINC000060962660 441262789 /nfs/dbraw/zinc/26/27/89/441262789.db2.gz WDGHTLNCQNJJBA-RHSMWYFYSA-N 0 0 347.459 1.814 10 0 EDAERN COCc1cc(N2CCC(Cc3nccn3C)CC2)n2ncnc2n1 ZINC000105793592 441271422 /nfs/dbraw/zinc/27/14/22/441271422.db2.gz LWCJFRHUVSUVAX-UHFFFAOYSA-N 0 0 341.419 1.463 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864388 441295680 /nfs/dbraw/zinc/29/56/80/441295680.db2.gz QPNVUXPRBBXJTD-MJBXVCDLSA-N 0 0 337.468 1.750 10 0 EDAERN COCCN1CCN(CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000105832187 441285089 /nfs/dbraw/zinc/28/50/89/441285089.db2.gz CTPWIUBHFZTZRF-ZDUSSCGKSA-N 0 0 325.840 1.931 10 0 EDAERN CCc1noc([C@H](C)N2CCN(CC(=O)N(C)CC3CC3)CC2)n1 ZINC000105865403 441296707 /nfs/dbraw/zinc/29/67/07/441296707.db2.gz KHKSXSZUVFZZHT-ZDUSSCGKSA-N 0 0 335.452 1.179 10 0 EDAERN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869071 441298502 /nfs/dbraw/zinc/29/85/02/441298502.db2.gz SURFSVYCOVZWPE-WMZOPIPTSA-N 0 0 347.507 1.623 10 0 EDAERN CCCC[C@H](C(=O)OC)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000105908811 441315426 /nfs/dbraw/zinc/31/54/26/441315426.db2.gz REPSOULCSQRJHO-CQSZACIVSA-N 0 0 346.435 1.287 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCC(=O)NC1CCCCC1 ZINC000106912520 441388647 /nfs/dbraw/zinc/38/86/47/441388647.db2.gz HDYDKMIVABOVLB-QGZVFWFLSA-N 0 0 331.460 1.724 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1ccccc1OC(F)F ZINC000027566810 441406937 /nfs/dbraw/zinc/40/69/37/441406937.db2.gz PGBCJCXQCJNQQM-GFCCVEGCSA-N 0 0 341.358 1.779 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC000027926743 441418067 /nfs/dbraw/zinc/41/80/67/441418067.db2.gz KORANFIFLVLYOG-MRXNPFEDSA-N 0 0 329.444 1.387 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000108278855 441440915 /nfs/dbraw/zinc/44/09/15/441440915.db2.gz JQRDCOQDRUBHES-CYBMUJFWSA-N 0 0 335.429 1.932 10 0 EDAERN CN(c1ncc(C(N)=O)cc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000108946734 441481941 /nfs/dbraw/zinc/48/19/41/441481941.db2.gz VASBLIHYAHZKHE-LBPRGKRZSA-N 0 0 346.822 1.729 10 0 EDAERN O=S(=O)(c1ccc(N[C@H]2CCc3ncnn3C2)cc1)C(F)F ZINC000108947959 441482916 /nfs/dbraw/zinc/48/29/16/441482916.db2.gz XNUIKHNTKWPXLO-JTQLQIEISA-N 0 0 328.344 1.701 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000087250415 441484813 /nfs/dbraw/zinc/48/48/13/441484813.db2.gz BKTATJOJOGXFGN-UONOGXRCSA-N 0 0 347.394 1.847 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000088196496 441495028 /nfs/dbraw/zinc/49/50/28/441495028.db2.gz KSBLNYLEKKPWJC-UKRRQHHQSA-N 0 0 339.399 1.985 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccn(C)n1)C(C)C ZINC000052528272 441456853 /nfs/dbraw/zinc/45/68/53/441456853.db2.gz PQTKUWKRKCOWJG-HNNXBMFYSA-N 0 0 330.388 1.822 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(C)noc1CC ZINC000089398284 441546425 /nfs/dbraw/zinc/54/64/25/441546425.db2.gz LLIDYZINJBTDEN-LLVKDONJSA-N 0 0 329.422 1.688 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000088280936 441502787 /nfs/dbraw/zinc/50/27/87/441502787.db2.gz BPIOIJZILIASJA-ZDUSSCGKSA-N 0 0 338.375 1.081 10 0 EDAERN COc1ccc2c(O)c(C(=O)N[C@@H]3CCc4ncnn4C3)cnc2c1 ZINC000112725326 441556182 /nfs/dbraw/zinc/55/61/82/441556182.db2.gz SVSCAWLWEVTVQW-SNVBAGLBSA-N 0 0 339.355 1.285 10 0 EDAERN O=C(NCCCOc1ccc(F)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112746795 441558015 /nfs/dbraw/zinc/55/80/15/441558015.db2.gz UXMNCFLONNYKCX-ZDUSSCGKSA-N 0 0 333.367 1.500 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2cccnc2)[C@H]([NH3+])C1 ZINC000090588268 441636861 /nfs/dbraw/zinc/63/68/61/441636861.db2.gz FRUKOEANPSDICA-XBFCOCLRSA-N 0 0 335.404 1.546 10 0 EDAERN O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000114209410 441642312 /nfs/dbraw/zinc/64/23/12/441642312.db2.gz HQSCMKIJCYEGIX-GFCCVEGCSA-N 0 0 328.344 1.582 10 0 EDAERN CCCCn1c(C)c(C)nc1S(=O)(=O)Cc1nnc(CC)n1C ZINC000090989053 441646865 /nfs/dbraw/zinc/64/68/65/441646865.db2.gz GHNIJLMMVXGPFQ-UHFFFAOYSA-N 0 0 339.465 1.965 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@H](C)O)c1cccc(Br)c1 ZINC000136611398 441706122 /nfs/dbraw/zinc/70/61/22/441706122.db2.gz HJUDXAQCNQRITF-KWQFWETISA-N 0 0 330.178 1.550 10 0 EDAERN CCCCO[C@H](C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115388153 441733984 /nfs/dbraw/zinc/73/39/84/441733984.db2.gz ICXOUIWRIBZYHR-MRXNPFEDSA-N 0 0 336.480 1.886 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cccs2)ncn1 ZINC000173413131 441740900 /nfs/dbraw/zinc/74/09/00/441740900.db2.gz SCEUSXRIKQSKLM-LBPRGKRZSA-N 0 0 331.445 1.908 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2ccco2)ncn1 ZINC000173413251 441742047 /nfs/dbraw/zinc/74/20/47/441742047.db2.gz SGWZLAQKYNQFGE-YBJDMEARSA-N 0 0 327.388 1.910 10 0 EDAERN CCCCc1ccc(NC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000091984575 441757877 /nfs/dbraw/zinc/75/78/77/441757877.db2.gz IETDWUHDVHGHBY-KRWDZBQOSA-N 0 0 335.448 1.844 10 0 EDAERN CCCCOCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000115347883 441728303 /nfs/dbraw/zinc/72/83/03/441728303.db2.gz FDWUYVRDHCFWPI-HOCLYGCPSA-N 0 0 336.436 1.263 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3ccc(F)cc3)CCO2)[nH]1 ZINC000173666123 441819997 /nfs/dbraw/zinc/81/99/97/441819997.db2.gz KOTRMRPMQXHANF-DZGCQCFKSA-N 0 0 336.367 1.065 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Cc3c[nH]c4ccc(F)cc34)CCO2)[nH]1 ZINC000173527785 441778640 /nfs/dbraw/zinc/77/86/40/441778640.db2.gz VIAFSASXZBHZCG-HNNXBMFYSA-N 0 0 343.362 1.876 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173529494 441780420 /nfs/dbraw/zinc/78/04/20/441780420.db2.gz ISLNRJYLDXOFBM-CYBMUJFWSA-N 0 0 337.424 1.052 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc([S@](C)=O)cc3)CCO2)[nH]1 ZINC000173541250 441785240 /nfs/dbraw/zinc/78/52/40/441785240.db2.gz IZASPQWXJQVUCX-ZLOXQWCVSA-N 0 0 334.401 1.064 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3cccc4c3oc(=O)n4C)C2)cn1 ZINC000121815781 441787007 /nfs/dbraw/zinc/78/70/07/441787007.db2.gz SYGANRWTGJFTNX-NSHDSACASA-N 0 0 326.356 1.495 10 0 EDAERN CCCN(C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000173565825 441794027 /nfs/dbraw/zinc/79/40/27/441794027.db2.gz ATYYHMZCRQJENH-AWEZNQCLSA-N 0 0 333.436 1.808 10 0 EDAERN C[C@H]1CCCN(S(=O)(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000159315442 441802535 /nfs/dbraw/zinc/80/25/35/441802535.db2.gz NDRPBJCBLCRBCX-ZDUSSCGKSA-N 0 0 326.466 1.576 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(N(C)C)ccn3)C2)n1 ZINC000116977539 441861453 /nfs/dbraw/zinc/86/14/53/441861453.db2.gz SZJBBVZQSPHIRA-OAHLLOKOSA-N 0 0 342.447 1.908 10 0 EDAERN CCCS(=O)(=O)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173919807 441862562 /nfs/dbraw/zinc/86/25/62/441862562.db2.gz OCOOPUIQYWVGJC-ZDUSSCGKSA-N 0 0 335.429 1.874 10 0 EDAERN CCCCOCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117040217 441863289 /nfs/dbraw/zinc/86/32/89/441863289.db2.gz HCEXQUHFNLGBPV-GOSISDBHSA-N 0 0 349.475 1.864 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCCn3cccn3)C2)n1 ZINC000117029965 441863596 /nfs/dbraw/zinc/86/35/96/441863596.db2.gz QONYEWCENDDSPW-INIZCTEOSA-N 0 0 345.451 1.603 10 0 EDAERN O=C(NCC1CC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117474178 441872319 /nfs/dbraw/zinc/87/23/19/441872319.db2.gz MJGFKNQLBUZYQU-INIZCTEOSA-N 0 0 333.432 1.164 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C2)cn1 ZINC000116466762 441825132 /nfs/dbraw/zinc/82/51/32/441825132.db2.gz XDPHZTWKWKOBMD-GFCCVEGCSA-N 0 0 348.353 1.444 10 0 EDAERN CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173696403 441825906 /nfs/dbraw/zinc/82/59/06/441825906.db2.gz SSQZRHNHYCGXII-AWEZNQCLSA-N 0 0 343.387 1.479 10 0 EDAERN COC(=O)CCCS(=O)(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173720467 441829577 /nfs/dbraw/zinc/82/95/77/441829577.db2.gz LATVDNWEOPKAER-LBPRGKRZSA-N 0 0 346.474 1.914 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000117474008 441873315 /nfs/dbraw/zinc/87/33/15/441873315.db2.gz VXPQJAOEMRJERC-CQSZACIVSA-N 0 0 348.447 1.507 10 0 EDAERN O=C(NCCSc1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173765648 441836368 /nfs/dbraw/zinc/83/63/68/441836368.db2.gz JFOAFLGSZYOOEO-OAHLLOKOSA-N 0 0 335.473 1.895 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173807016 441843595 /nfs/dbraw/zinc/84/35/95/441843595.db2.gz PKWAZWOCFALNNG-INIZCTEOSA-N 0 0 346.431 1.375 10 0 EDAERN COc1ccc([C@H](CCO)NC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000123049997 441873931 /nfs/dbraw/zinc/87/39/31/441873931.db2.gz MAXVBUGXAURLTF-GJZGRUSLSA-N 0 0 345.403 1.545 10 0 EDAERN COC[C@@H](C)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000173861130 441851793 /nfs/dbraw/zinc/85/17/93/441851793.db2.gz GCXDGSCQFRWSQG-CYBMUJFWSA-N 0 0 328.434 1.014 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCN1CCOC ZINC000117526722 441874351 /nfs/dbraw/zinc/87/43/51/441874351.db2.gz LEYKDMHEDRMXKI-CYBMUJFWSA-N 0 0 337.395 1.333 10 0 EDAERN CN(CC(=O)c1cnccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095074797 441910204 /nfs/dbraw/zinc/91/02/04/441910204.db2.gz XVNXGKPHNXDKBL-UHFFFAOYSA-N 0 0 334.420 1.991 10 0 EDAERN CCN(CC(C)C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000124180077 441911295 /nfs/dbraw/zinc/91/12/95/441911295.db2.gz WNSLXUCSHYOYPT-GFCCVEGCSA-N 0 0 337.445 1.618 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1csc(=O)[nH]1 ZINC000124320455 441917652 /nfs/dbraw/zinc/91/76/52/441917652.db2.gz UYFJKGHLIIMHTJ-SNVBAGLBSA-N 0 0 327.406 1.452 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000124373670 441922172 /nfs/dbraw/zinc/92/21/72/441922172.db2.gz XWXGOENDWRPKBQ-WFASDCNBSA-N 0 0 334.395 1.500 10 0 EDAERN Cc1cnn(CCNC(=O)CCn2cnc3c(C)cccc3c2=O)c1 ZINC000117810877 441879828 /nfs/dbraw/zinc/87/98/28/441879828.db2.gz IVZKPABPRZQAGU-UHFFFAOYSA-N 0 0 339.399 1.416 10 0 EDAERN Cc1cnn(CCNC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000118057578 441884442 /nfs/dbraw/zinc/88/44/42/441884442.db2.gz ODYQYUSMFFBVDO-UHFFFAOYSA-N 0 0 345.403 1.389 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2CCCn3ncnc32)c1C ZINC000123336200 441884856 /nfs/dbraw/zinc/88/48/56/441884856.db2.gz JGNZYVAZFSTMKB-AWEZNQCLSA-N 0 0 348.428 1.563 10 0 EDAERN CCOC(=O)c1ccc(CNC(=O)NCCn2cc(C)cn2)cc1 ZINC000118065524 441886111 /nfs/dbraw/zinc/88/61/11/441886111.db2.gz OADXPLUJZJMGAS-UHFFFAOYSA-N 0 0 330.388 1.868 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000118079835 441886166 /nfs/dbraw/zinc/88/61/66/441886166.db2.gz JNULNKMERJFMRI-QGZVFWFLSA-N 0 0 327.432 1.890 10 0 EDAERN CC[C@H](O)C[NH+]1CCN(CC(=O)N(C)Cc2ccccc2C)CC1 ZINC000174094552 441887970 /nfs/dbraw/zinc/88/79/70/441887970.db2.gz GWZSKPAOSQHULJ-SFHVURJKSA-N 0 0 333.476 1.342 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2OC(C)C)c1 ZINC000118133640 441891485 /nfs/dbraw/zinc/89/14/85/441891485.db2.gz ZQHODPBCBNVQRD-UHFFFAOYSA-N 0 0 330.388 1.734 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCc2cccc(OCCN3CCOCC3)c2)O1 ZINC000150914385 441973545 /nfs/dbraw/zinc/97/35/45/441973545.db2.gz AOXURMMFNYDNFY-YJBOKZPZSA-N 0 0 348.443 1.581 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)NCCOCCS(C)(=O)=O)cc1 ZINC000174551592 441937112 /nfs/dbraw/zinc/93/71/12/441937112.db2.gz BEIJOLWNJPLHJV-CYBMUJFWSA-N 0 0 342.461 1.670 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000150941561 441978771 /nfs/dbraw/zinc/97/87/71/441978771.db2.gz DAVXGXICDVATLW-AWEZNQCLSA-N 0 0 332.404 1.048 10 0 EDAERN NS(=O)(=O)C[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000095829520 441953472 /nfs/dbraw/zinc/95/34/72/441953472.db2.gz CHYAVYRZFLNQAJ-MRVPVSSYSA-N 0 0 333.207 1.091 10 0 EDAERN O=C(Cn1c(=O)cnc2ccccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151081387 442002081 /nfs/dbraw/zinc/00/20/81/442002081.db2.gz MRCSDLAWQPXBRF-IFXJQAMLSA-N 0 0 341.411 1.550 10 0 EDAERN CNc1c(Cl)ncnc1NC1CC[NH+](C[C@H](O)COC)CC1 ZINC000125139586 441987634 /nfs/dbraw/zinc/98/76/34/441987634.db2.gz RQERYYFCTSMROS-NSHDSACASA-N 0 0 329.832 1.055 10 0 EDAERN O=C(Cc1c[nH]c2ncccc12)N1CCO[C@H](Cn2cccn2)C1 ZINC000120088436 442005641 /nfs/dbraw/zinc/00/56/41/442005641.db2.gz OVOZRNFMVKEQQO-AWEZNQCLSA-N 0 0 325.372 1.230 10 0 EDAERN O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCCC[C@H]1CO ZINC000151116851 442008135 /nfs/dbraw/zinc/00/81/35/442008135.db2.gz WEGJMMMIZNUELJ-UONOGXRCSA-N 0 0 332.400 1.469 10 0 EDAERN CCOCCC1(CNC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000161627917 442017607 /nfs/dbraw/zinc/01/76/07/442017607.db2.gz HYVMIDOKJAASRR-HNNXBMFYSA-N 0 0 325.453 1.309 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@@H]3OCCc4ccccc43)CCO2)[nH]1 ZINC000151277736 442036187 /nfs/dbraw/zinc/03/61/87/442036187.db2.gz GVCIUTAHCWPAQY-GDBMZVCRSA-N 0 0 342.399 1.581 10 0 EDAERN COCc1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)no1 ZINC000079441272 442048993 /nfs/dbraw/zinc/04/89/93/442048993.db2.gz CTVKPIFKESMVOQ-LBPRGKRZSA-N 0 0 336.369 1.470 10 0 EDAERN COCCN1CCN(C(=O)NCCCCn2ccnc2C)C[C@@H]1C ZINC000175464487 442067951 /nfs/dbraw/zinc/06/79/51/442067951.db2.gz LTFAXXRJQPOPNW-HNNXBMFYSA-N 0 0 337.468 1.334 10 0 EDAERN Fc1cccc(F)c1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000120509011 442085709 /nfs/dbraw/zinc/08/57/09/442085709.db2.gz JATDDMULVUHYOL-UHFFFAOYSA-N 0 0 330.342 1.725 10 0 EDAERN C[C@H]1CN(C(=O)NCCc2ccccc2F)C[C@H]1N1CCOCC1 ZINC000175628117 442096023 /nfs/dbraw/zinc/09/60/23/442096023.db2.gz OCIJUGRHSGZCMO-WMLDXEAASA-N 0 0 335.423 1.730 10 0 EDAERN Cc1nnc([C@@H]2CN(c3cc(N4CCC[C@H](C)C4)ncn3)CCO2)[nH]1 ZINC000175778247 442120368 /nfs/dbraw/zinc/12/03/68/442120368.db2.gz KDFZWJVHBBMJFJ-JSGCOSHPSA-N 0 0 343.435 1.717 10 0 EDAERN CC(C)Oc1cc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)ccn1 ZINC000151841673 442128462 /nfs/dbraw/zinc/12/84/62/442128462.db2.gz QEZHVJYVFVRXNT-MRXNPFEDSA-N 0 0 348.447 1.485 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cn(C)c(=O)cc2C)C1 ZINC000162891547 442128930 /nfs/dbraw/zinc/12/89/30/442128930.db2.gz ZZQCJZLJDKBWDT-CYBMUJFWSA-N 0 0 334.420 1.606 10 0 EDAERN CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000151894498 442136744 /nfs/dbraw/zinc/13/67/44/442136744.db2.gz JXUBENIBBCDSGM-NEPJUHHUSA-N 0 0 332.429 1.899 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000175887520 442140972 /nfs/dbraw/zinc/14/09/72/442140972.db2.gz PBSHXDUZRFJTJH-JSGCOSHPSA-N 0 0 329.408 1.734 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1nnc2n1CCCC2 ZINC000175896002 442141947 /nfs/dbraw/zinc/14/19/47/442141947.db2.gz OARNWDTXHWIPJX-CQSZACIVSA-N 0 0 343.435 1.494 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3ccoc3)C2=O)n(C)n1 ZINC000175892987 442141971 /nfs/dbraw/zinc/14/19/71/442141971.db2.gz ZMLFRWRMPQMEMK-ZDUSSCGKSA-N 0 0 331.376 1.316 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccccc2Cl)C1 ZINC000120864927 442143600 /nfs/dbraw/zinc/14/36/00/442143600.db2.gz GJISTBDHYQOFDC-WBMJQRKESA-N 0 0 341.839 1.177 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2cccnc2N(C)C)C[C@@H]1N1CCOCC1 ZINC000175667815 442102719 /nfs/dbraw/zinc/10/27/19/442102719.db2.gz LYLJCDATLOHMDD-ZBFHGGJFSA-N 0 0 347.463 1.010 10 0 EDAERN CCC1CCC(NC(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000080011289 442107800 /nfs/dbraw/zinc/10/78/00/442107800.db2.gz MGQWVBYYOXMDNG-UHFFFAOYSA-N 0 0 333.498 1.926 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc([S@@](C)=O)cc3)C2)cn1 ZINC000175703077 442107849 /nfs/dbraw/zinc/10/78/49/442107849.db2.gz ZOMMDTOFLLDHFU-JBEBIEQOSA-N 0 0 346.456 1.857 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)nc3)C2)no1 ZINC000163451941 442166262 /nfs/dbraw/zinc/16/62/62/442166262.db2.gz SESDTFKGPFNNDY-NSHDSACASA-N 0 0 347.350 1.332 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCNC(=O)C(C)(C)C ZINC000176065299 442169192 /nfs/dbraw/zinc/16/91/92/442169192.db2.gz WPPVIIQYQOQFSQ-AWEZNQCLSA-N 0 0 335.452 1.528 10 0 EDAERN Cc1nn(C)c2ncc(C(=O)N3CCC[C@H](Cn4cncn4)C3)cc12 ZINC000127151414 442176209 /nfs/dbraw/zinc/17/62/09/442176209.db2.gz ZWFPTZBRTGDZCY-ZDUSSCGKSA-N 0 0 339.403 1.421 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000163635955 442177759 /nfs/dbraw/zinc/17/77/59/442177759.db2.gz YTSQCYORAYRRTJ-CYBMUJFWSA-N 0 0 345.451 1.683 10 0 EDAERN CN(C)c1cccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000164417329 442196552 /nfs/dbraw/zinc/19/65/52/442196552.db2.gz CEACNMJLERYPLJ-ZDUSSCGKSA-N 0 0 328.420 1.580 10 0 EDAERN CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000152323404 442197895 /nfs/dbraw/zinc/19/78/95/442197895.db2.gz OOAQLPXBZCICLA-DOTOQJQBSA-N 0 0 344.390 1.737 10 0 EDAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120909139 442151305 /nfs/dbraw/zinc/15/13/05/442151305.db2.gz YNSDOUGQELEMKL-JTQLQIEISA-N 0 0 341.205 1.679 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(N)nc(Cl)c1)CC2 ZINC000176756376 442254471 /nfs/dbraw/zinc/25/44/71/442254471.db2.gz JYSWRNHXECCAHM-JTQLQIEISA-N 0 0 334.811 1.777 10 0 EDAERN CN(C)c1nc2cc(NC(=O)NC[C@H]3CN(C)CCO3)ccc2o1 ZINC000165075403 442205978 /nfs/dbraw/zinc/20/59/78/442205978.db2.gz WDKBLPCSRDFIKP-LBPRGKRZSA-N 0 0 333.392 1.346 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000166708983 442217642 /nfs/dbraw/zinc/21/76/42/442217642.db2.gz UGFAGDMDCQNDMR-LLVKDONJSA-N 0 0 343.305 1.381 10 0 EDAERN O[C@H](COc1ccccc1)Cn1cnc2c1ncnc2N1CCCC1 ZINC000176422023 442219978 /nfs/dbraw/zinc/21/99/78/442219978.db2.gz QLIJVDMMPQJCPG-AWEZNQCLSA-N 0 0 339.399 1.866 10 0 EDAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000170240361 442229444 /nfs/dbraw/zinc/22/94/44/442229444.db2.gz KCTUITLNXDJESG-GFCCVEGCSA-N 0 0 329.379 1.398 10 0 EDAERN CN(C(=O)NCc1cscn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152616715 442231322 /nfs/dbraw/zinc/23/13/22/442231322.db2.gz DFYFVRANVOYOGT-CYBMUJFWSA-N 0 0 332.433 1.744 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000176573691 442236160 /nfs/dbraw/zinc/23/61/60/442236160.db2.gz UHJYEZDYJMKZNX-QHCPKHFHSA-N 0 0 343.359 1.420 10 0 EDAERN C[C@H](NC(=O)NC[C@H](O)c1ccsc1)c1nnc2n1CCCC2 ZINC000153160592 442264537 /nfs/dbraw/zinc/26/45/37/442264537.db2.gz OFHKOYQTXGJXIT-JQWIXIFHSA-N 0 0 335.433 1.770 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H](O)c1ccsc1)c1nnc2n1CCCC2 ZINC000153160946 442264606 /nfs/dbraw/zinc/26/46/06/442264606.db2.gz OFHKOYQTXGJXIT-ZYHUDNBSSA-N 0 0 335.433 1.770 10 0 EDAERN CC(C)n1ccnc1C[S@@](=O)CC(=O)NCCOc1ccccc1 ZINC000176890730 442267420 /nfs/dbraw/zinc/26/74/20/442267420.db2.gz GEPPLAZEGBKNFT-XMMPIXPASA-N 0 0 349.456 1.908 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCc3ccnc(C)n3)C2)no1 ZINC000170900318 442285585 /nfs/dbraw/zinc/28/55/85/442285585.db2.gz WZVMEEKKWKTRAG-CYBMUJFWSA-N 0 0 330.392 1.641 10 0 EDAERN CC(C)c1nnc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n1C ZINC000177018915 442285653 /nfs/dbraw/zinc/28/56/53/442285653.db2.gz CKZQHQDDTLCKNI-STQMWFEESA-N 0 0 328.482 1.726 10 0 EDAERN Cc1ccccc1[C@]1(C)NC(=O)N(Cc2nnc(C3CC3)n2C)C1=O ZINC000171047563 442303685 /nfs/dbraw/zinc/30/36/85/442303685.db2.gz YABRHLLAJCIFCB-SFHVURJKSA-N 0 0 339.399 1.968 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000153090846 442260116 /nfs/dbraw/zinc/26/01/16/442260116.db2.gz KPTQQBHYTLFGOW-GFCCVEGCSA-N 0 0 342.871 1.819 10 0 EDAERN C[C@H]1CN(Cc2noc(-c3ccccc3)n2)C[C@@H]1N1CCOCC1 ZINC000177255760 442321063 /nfs/dbraw/zinc/32/10/63/442321063.db2.gz YILAWZJZQXDUGC-HOCLYGCPSA-N 0 0 328.416 1.889 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CSCCS3)C2)n1 ZINC000177295703 442325234 /nfs/dbraw/zinc/32/52/34/442325234.db2.gz JHOHWYMYRGQGRG-UONOGXRCSA-N 0 0 340.518 1.982 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1 ZINC000171237056 442332287 /nfs/dbraw/zinc/33/22/87/442332287.db2.gz WDPAHEOPXYVTSF-HUUCEWRRSA-N 0 0 337.420 1.745 10 0 EDAERN O=C(NCCCN1CCCCCC1=O)N[C@@H]1CCCn2ncnc21 ZINC000177381820 442334878 /nfs/dbraw/zinc/33/48/78/442334878.db2.gz XHSACCCGARGQKM-CYBMUJFWSA-N 0 0 334.424 1.205 10 0 EDAERN O=C(Nc1cc(F)c(F)cc1F)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177392526 442335588 /nfs/dbraw/zinc/33/55/88/442335588.db2.gz DHUUWUXSNMDUCN-SNVBAGLBSA-N 0 0 341.333 1.739 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnc(N(C)C)nc1 ZINC000154389930 442337076 /nfs/dbraw/zinc/33/70/76/442337076.db2.gz PKULIIVBULBMEA-LLVKDONJSA-N 0 0 330.396 1.353 10 0 EDAERN Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000171286030 442338555 /nfs/dbraw/zinc/33/85/55/442338555.db2.gz VYQIBITYVCIBON-HNNXBMFYSA-N 0 0 327.428 1.841 10 0 EDAERN Cn1cc(CCCNC(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000154554292 442345381 /nfs/dbraw/zinc/34/53/81/442345381.db2.gz UWOGSQFRKKVSHZ-UHFFFAOYSA-N 0 0 343.435 1.429 10 0 EDAERN CCO[C@H](CCNC(=O)NC[C@H]1CN(C)CCO1)C1CCCC1 ZINC000177486348 442349161 /nfs/dbraw/zinc/34/91/61/442349161.db2.gz GRULIWADKQHOJS-JKSUJKDBSA-N 0 0 327.469 1.602 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CCS1 ZINC000171469406 442351033 /nfs/dbraw/zinc/35/10/33/442351033.db2.gz JCXDLOMQIZHPBD-NSHDSACASA-N 0 0 331.401 1.170 10 0 EDAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000171504441 442353369 /nfs/dbraw/zinc/35/33/69/442353369.db2.gz YFACFQGOJVVJRA-HUUCEWRRSA-N 0 0 336.436 1.261 10 0 EDAERN C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)c1nnc2n1CCCC2 ZINC000154726006 442353395 /nfs/dbraw/zinc/35/33/95/442353395.db2.gz ATAUMKXODWCRBN-SNVBAGLBSA-N 0 0 330.396 1.353 10 0 EDAERN CC[C@@H](NC[C@@H](c1ccc(C)s1)N1CCOCC1)C(=O)OC ZINC000171632731 442365237 /nfs/dbraw/zinc/36/52/37/442365237.db2.gz MMGQRSNWOIDXDL-KGLIPLIRSA-N 0 0 326.462 1.971 10 0 EDAERN CCN(CC)C(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000171705239 442372299 /nfs/dbraw/zinc/37/22/99/442372299.db2.gz GCHXFMYDFCBCHG-INIZCTEOSA-N 0 0 348.447 1.621 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc(-c2ncccn2)s1 ZINC000177710881 442373860 /nfs/dbraw/zinc/37/38/60/442373860.db2.gz KFSWFXHREUWSBQ-JTQLQIEISA-N 0 0 341.400 1.765 10 0 EDAERN CCCNC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171792245 442381465 /nfs/dbraw/zinc/38/14/65/442381465.db2.gz JDSDFPCHNCFWEW-PBHICJAKSA-N 0 0 331.416 1.239 10 0 EDAERN CCCNC(=O)CCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171799794 442381821 /nfs/dbraw/zinc/38/18/21/442381821.db2.gz HCYYGISEKYCKLN-MAUKXSAKSA-N 0 0 345.443 1.629 10 0 EDAERN COc1ccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000171870574 442386750 /nfs/dbraw/zinc/38/67/50/442386750.db2.gz FLJNCVYKMUBTPP-LBPRGKRZSA-N 0 0 333.367 1.283 10 0 EDAERN CN(C)C(=O)COc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171890309 442387365 /nfs/dbraw/zinc/38/73/65/442387365.db2.gz GZOWVVQHFCIUEH-OAHLLOKOSA-N 0 0 346.431 1.466 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177809683 442387800 /nfs/dbraw/zinc/38/78/00/442387800.db2.gz FEBCBHKSKJDPCD-CZUORRHYSA-N 0 0 346.431 1.278 10 0 EDAERN COc1ccncc1NC(=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000155353098 442390243 /nfs/dbraw/zinc/39/02/43/442390243.db2.gz RAWZZMNTBBVCGP-UHFFFAOYSA-N 0 0 329.400 1.970 10 0 EDAERN CSCCCCNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000133014809 442405013 /nfs/dbraw/zinc/40/50/13/442405013.db2.gz AZBXUJUNARPCEW-CQSZACIVSA-N 0 0 326.466 1.745 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132691575 442398383 /nfs/dbraw/zinc/39/83/83/442398383.db2.gz OGXAGJLUAKGFOI-CFVMTHIKSA-N 0 0 344.415 1.466 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000178012456 442401739 /nfs/dbraw/zinc/40/17/39/442401739.db2.gz ZJGNOACLHVEJKK-ZDUSSCGKSA-N 0 0 333.367 1.789 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCCN(CC(F)F)CC1)C(C)C ZINC000130768463 442356515 /nfs/dbraw/zinc/35/65/15/442356515.db2.gz LRMZXTICGNTOCO-MRXNPFEDSA-N 0 0 347.450 1.973 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NCCOc1ccccc1 ZINC000171616612 442363374 /nfs/dbraw/zinc/36/33/74/442363374.db2.gz LMRYUKQMFJYBLN-OAHLLOKOSA-N 0 0 329.404 1.110 10 0 EDAERN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCCn1cc(C)cn1 ZINC000172125324 442411378 /nfs/dbraw/zinc/41/13/78/442411378.db2.gz PCXHNCLNBFNAJW-GUVYXZIWSA-N 0 0 336.461 1.566 10 0 EDAERN CS(=O)(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178239088 442417947 /nfs/dbraw/zinc/41/79/47/442417947.db2.gz MFZVMWHRRDTWRW-NSHDSACASA-N 0 0 338.351 1.216 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1C ZINC000172221736 442425247 /nfs/dbraw/zinc/42/52/47/442425247.db2.gz XJMPKLBXUICLSS-LBPRGKRZSA-N 0 0 332.404 1.039 10 0 EDAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178476238 442437183 /nfs/dbraw/zinc/43/71/83/442437183.db2.gz FRIDTZYCIWNMQI-LIRRHRJNSA-N 0 0 344.411 1.714 10 0 EDAERN CCOCCNC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000178512447 442439828 /nfs/dbraw/zinc/43/98/28/442439828.db2.gz ICGLARMRQNONAI-AWEZNQCLSA-N 0 0 341.477 1.799 10 0 EDAERN Cc1nc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)no1 ZINC000172314271 442442686 /nfs/dbraw/zinc/44/26/86/442442686.db2.gz WWGSBDSWDCRDQK-CJNGLKHVSA-N 0 0 328.372 1.604 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)Cc3[nH]nc4ccccc43)CCO2)cn1 ZINC000191706135 442494706 /nfs/dbraw/zinc/49/47/06/442494706.db2.gz NBVMZGDCLXJKCH-KRWDZBQOSA-N 0 0 339.399 1.922 10 0 EDAERN CCCN(CC)c1ccc(C(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000186317742 442510382 /nfs/dbraw/zinc/51/03/82/442510382.db2.gz PKMNFJIQYSTHBN-UHFFFAOYSA-N 0 0 333.432 1.510 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@H]1Cn1ccnc1C ZINC000186256191 442497266 /nfs/dbraw/zinc/49/72/66/442497266.db2.gz WTPOSRUGZDCUAR-HNNXBMFYSA-N 0 0 331.420 1.766 10 0 EDAERN CS(=O)(=O)CCCCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000186265850 442500157 /nfs/dbraw/zinc/50/01/57/442500157.db2.gz ZFJHCSYBGLDSOL-AWEZNQCLSA-N 0 0 342.465 1.861 10 0 EDAERN COC(=O)c1ccc(CN(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000172602152 442500915 /nfs/dbraw/zinc/50/09/15/442500915.db2.gz PKBCXVIOJRZOFZ-AWEZNQCLSA-N 0 0 343.387 1.221 10 0 EDAERN CCCc1c(C(=O)N2CC(NC(=O)COC)C2)[nH]c(C)c1C(C)=O ZINC000186313468 442509134 /nfs/dbraw/zinc/50/91/34/442509134.db2.gz WHTHKOWRGWFDFM-UHFFFAOYSA-N 0 0 335.404 1.065 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186436028 442535074 /nfs/dbraw/zinc/53/50/74/442535074.db2.gz OXFYVJNTCAYKFW-GHMZBOCLSA-N 0 0 339.338 1.584 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)C12CCOCC2 ZINC000186452861 442537582 /nfs/dbraw/zinc/53/75/82/442537582.db2.gz JFKRSLLXSGSPLH-CABCVRRESA-N 0 0 338.448 1.383 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)CCCNC(=O)C2CC2)C12CCOCC2 ZINC000186452832 442537631 /nfs/dbraw/zinc/53/76/31/442537631.db2.gz JFKRSLLXSGSPLH-GJZGRUSLSA-N 0 0 338.448 1.383 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(NC=O)cc2)C12CCOCC2 ZINC000186462093 442538518 /nfs/dbraw/zinc/53/85/18/442538518.db2.gz LSGMUDMLNQBWIS-CVEARBPZSA-N 0 0 332.400 1.959 10 0 EDAERN CO[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191911890 442538625 /nfs/dbraw/zinc/53/86/25/442538625.db2.gz NDUHXHFLPTYNOU-QJPTWQEYSA-N 0 0 328.434 1.874 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3c[nH]nc3-c3cccnc3)CCO2)[nH]1 ZINC000180116691 442543890 /nfs/dbraw/zinc/54/38/90/442543890.db2.gz CTSFVWCVEQUALA-CQSZACIVSA-N 0 0 325.376 1.472 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000178994506 442547851 /nfs/dbraw/zinc/54/78/51/442547851.db2.gz QLTVLJLJMKZFCQ-HNNXBMFYSA-N 0 0 325.840 1.938 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3csc(NC(C)=O)n3)CCO2)cn1 ZINC000191797511 442513726 /nfs/dbraw/zinc/51/37/26/442513726.db2.gz ZOZLAYUNSFBYEM-ZDUSSCGKSA-N 0 0 349.416 1.532 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2ccc(F)cc2)n1 ZINC000186345148 442516072 /nfs/dbraw/zinc/51/60/72/442516072.db2.gz GMGBCQXQKBAJQX-CYBMUJFWSA-N 0 0 341.364 1.420 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)NCCN1CCc2ccccc21 ZINC000186385698 442523663 /nfs/dbraw/zinc/52/36/63/442523663.db2.gz FKFZKCPNYPRDCL-LJQANCHMSA-N 0 0 345.443 1.193 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)NCCCOC1CCCCC1 ZINC000186390806 442525464 /nfs/dbraw/zinc/52/54/64/442525464.db2.gz IXNXWOCNBBVOMW-GOSISDBHSA-N 0 0 340.464 1.870 10 0 EDAERN CC[C@@](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)(C(N)=O)C(C)C ZINC000180282531 442572866 /nfs/dbraw/zinc/57/28/66/442572866.db2.gz VFFSRTIVSIVUNT-PXAZEXFGSA-N 0 0 334.420 1.603 10 0 EDAERN C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135265187 442574187 /nfs/dbraw/zinc/57/41/87/442574187.db2.gz LADSPCRYHZBVSY-KGLIPLIRSA-N 0 0 327.388 1.424 10 0 EDAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3cccc(Cl)n3)CC2)C1 ZINC000179267056 442608677 /nfs/dbraw/zinc/60/86/77/442608677.db2.gz GUXDUISGDNJNQF-OAHLLOKOSA-N 0 0 338.883 1.966 10 0 EDAERN C[C@H](NC(=O)c1cccc2c1OCCO2)c1nnc2n1CCCC2 ZINC000135367281 442586199 /nfs/dbraw/zinc/58/61/99/442586199.db2.gz HUUFAZGZQLCYQR-NSHDSACASA-N 0 0 328.372 1.877 10 0 EDAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCC[C@H]1CO ZINC000179247754 442604884 /nfs/dbraw/zinc/60/48/84/442604884.db2.gz HKTDPLLKXHWHSB-SWLSCSKDSA-N 0 0 330.384 1.340 10 0 EDAERN CNC(=O)COc1cccc(CC(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000179257174 442606458 /nfs/dbraw/zinc/60/64/58/442606458.db2.gz NENFBBYEPMVAOF-ZBFHGGJFSA-N 0 0 334.416 1.021 10 0 EDAERN COC[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000172887228 442562516 /nfs/dbraw/zinc/56/25/16/442562516.db2.gz YRDMVZZOTPELOC-HOTGVXAUSA-N 0 0 329.824 1.565 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180246539 442565818 /nfs/dbraw/zinc/56/58/18/442565818.db2.gz VQERJLCZSOVBRR-GDBMZVCRSA-N 0 0 331.416 1.113 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000180256189 442567080 /nfs/dbraw/zinc/56/70/80/442567080.db2.gz QNCNSEJTXYKFQY-ZBFHGGJFSA-N 0 0 331.416 1.113 10 0 EDAERN COC(=O)C1CCC(C(=O)Nc2ccnn2-c2ccc(C)nn2)CC1 ZINC000180253612 442567139 /nfs/dbraw/zinc/56/71/39/442567139.db2.gz TXIQTNDKXMFXHS-UHFFFAOYSA-N 0 0 343.387 1.889 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1F ZINC000180259046 442568028 /nfs/dbraw/zinc/56/80/28/442568028.db2.gz ZKMWXMORPQUYSO-CZUORRHYSA-N 0 0 349.406 1.252 10 0 EDAERN C/C=C/C[C@H](CO)NC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000187048373 442649058 /nfs/dbraw/zinc/64/90/58/442649058.db2.gz FURPRDQLTAULPY-HVMMPBATSA-N 0 0 348.443 1.893 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)Nc3ccn(CCOC)n3)CCO2)cn1 ZINC000192192878 442611439 /nfs/dbraw/zinc/61/14/39/442611439.db2.gz FYLKRWHLDJLARS-CQSZACIVSA-N 0 0 348.407 1.351 10 0 EDAERN CCCCOCCCNC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000136254305 442657218 /nfs/dbraw/zinc/65/72/18/442657218.db2.gz LGSXPFNJWAUTFQ-ZDUSSCGKSA-N 0 0 339.440 1.657 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1cccc(-n2ccnc2)c1 ZINC000173242431 442631531 /nfs/dbraw/zinc/63/15/31/442631531.db2.gz RYNHCKBOMDLUAO-UKRRQHHQSA-N 0 0 341.415 1.853 10 0 EDAERN CCOc1ccnc(N2CCCN([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000135781391 442633455 /nfs/dbraw/zinc/63/34/55/442633455.db2.gz XGUJYHMARHSYJX-OAHLLOKOSA-N 0 0 345.447 1.151 10 0 EDAERN CCN(C(=O)[C@H]1C[C@@H](O)CN1C(C)=O)[C@H](C)c1cccc(OC)c1 ZINC000192682922 442676345 /nfs/dbraw/zinc/67/63/45/442676345.db2.gz CEYACVUHCROXJT-SRCQZFHVSA-N 0 0 334.416 1.586 10 0 EDAERN Cc1cc(Br)ccc1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000181166901 442682544 /nfs/dbraw/zinc/68/25/44/442682544.db2.gz TZZDRUZPDVDBLN-AWEZNQCLSA-N 0 0 341.249 1.747 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181199365 442684119 /nfs/dbraw/zinc/68/41/19/442684119.db2.gz AUHRNOQEAUUPOP-GDBMZVCRSA-N 0 0 342.395 1.868 10 0 EDAERN CNC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2cccc(Cl)c2)CCO1 ZINC000181545916 442703093 /nfs/dbraw/zinc/70/30/93/442703093.db2.gz VHJCADMYICAWSR-GXFFZTMASA-N 0 0 325.796 1.557 10 0 EDAERN CNC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCO1 ZINC000181562415 442703945 /nfs/dbraw/zinc/70/39/45/442703945.db2.gz FJPCXKSSHDDACP-DTWKUNHWSA-N 0 0 331.825 1.619 10 0 EDAERN C[C@@H](CNC(=O)c1cccc(Br)n1)N1CCOCC1 ZINC000136361648 442660803 /nfs/dbraw/zinc/66/08/03/442660803.db2.gz HLCLNWLYBBPEEW-JTQLQIEISA-N 0 0 328.210 1.295 10 0 EDAERN C[C@H](NC(=O)NCC(=O)N(C)C)c1cccc(Br)c1 ZINC000193130338 442716238 /nfs/dbraw/zinc/71/62/38/442716238.db2.gz BRCDXRQCLHNSIW-VIFPVBQESA-N 0 0 328.210 1.898 10 0 EDAERN CN1CCc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(N)=O)cc21 ZINC000181998546 442726785 /nfs/dbraw/zinc/72/67/85/442726785.db2.gz RDORXNBEWPKYGT-INIZCTEOSA-N 0 0 338.411 1.897 10 0 EDAERN COCCN1CCN(C(=O)c2ncccc2Br)C[C@H]1C ZINC000193292392 442730271 /nfs/dbraw/zinc/73/02/71/442730271.db2.gz YJRCXTULQUFZPM-LLVKDONJSA-N 0 0 342.237 1.637 10 0 EDAERN CC1CCN(c2ccc(C(=O)N3CCCNC(=O)[C@H]3C)cn2)CC1 ZINC000188102280 442712030 /nfs/dbraw/zinc/71/20/30/442712030.db2.gz APYIPCGTIBNCBZ-CQSZACIVSA-N 0 0 330.432 1.669 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC1(O)CCCCC1)CC2 ZINC000181752950 442714339 /nfs/dbraw/zinc/71/43/39/442714339.db2.gz ZEPTWRWGDQYFCH-ZDUSSCGKSA-N 0 0 335.452 1.711 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000188727710 442798028 /nfs/dbraw/zinc/79/80/28/442798028.db2.gz STKZMCKQKKZJLS-KZNAEPCWSA-N 0 0 346.427 1.176 10 0 EDAERN C[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000193850439 442798956 /nfs/dbraw/zinc/79/89/56/442798956.db2.gz FEOAQGWPGPSUEF-RKDXNWHRSA-N 0 0 336.816 1.936 10 0 EDAERN CC[C@H](CO)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000182344944 442758775 /nfs/dbraw/zinc/75/87/75/442758775.db2.gz ZGOPTMSIOMASSG-KGLIPLIRSA-N 0 0 326.824 1.982 10 0 EDAERN O=C(NC1CN(C(=O)c2cnc(-c3ccccc3)nc2)C1)C1CCC1 ZINC000188553250 442762288 /nfs/dbraw/zinc/76/22/88/442762288.db2.gz WBOXCLLXOIPFAD-UHFFFAOYSA-N 0 0 336.395 1.884 10 0 EDAERN CCOc1cc(/C=C/C(=O)N[C@H]2CCc3ncnn3C2)ccc1O ZINC000182433736 442766347 /nfs/dbraw/zinc/76/63/47/442766347.db2.gz XHKFUIVVYUDBQO-GBVBUYCNSA-N 0 0 328.372 1.527 10 0 EDAERN CCOC(=O)[C@H](c1ccccc1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246384920 442778011 /nfs/dbraw/zinc/77/80/11/442778011.db2.gz IJFXTYPDDQBOHC-NXHRZFHOSA-N 0 0 332.444 1.943 10 0 EDAERN Cc1c(CNC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cnn1C ZINC000188650311 442779758 /nfs/dbraw/zinc/77/97/58/442779758.db2.gz KIXVEIFTOSLHRB-QWHCGFSZSA-N 0 0 340.399 1.692 10 0 EDAERN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000193763766 442782586 /nfs/dbraw/zinc/78/25/86/442782586.db2.gz SIVFCTYVFYCJGK-DYVFJYSZSA-N 0 0 349.435 1.214 10 0 EDAERN Cc1ccc(N2C[C@H](C(=O)N3CCCNC(=O)[C@@H]3C)CC2=O)cc1 ZINC000188881785 442834267 /nfs/dbraw/zinc/83/42/67/442834267.db2.gz RFVZQWQQTMPSHS-UONOGXRCSA-N 0 0 329.400 1.085 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3nc4cccnc4s3)CCO2)c1 ZINC000193939163 442815719 /nfs/dbraw/zinc/81/57/19/442815719.db2.gz HIGSKMFYERXMNG-LBPRGKRZSA-N 0 0 343.412 1.737 10 0 EDAERN Cc1oc(-c2cccs2)nc1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188879347 442834351 /nfs/dbraw/zinc/83/43/51/442834351.db2.gz QBNZHLACZABIFQ-SNVBAGLBSA-N 0 0 333.413 1.991 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000188799499 442816686 /nfs/dbraw/zinc/81/66/86/442816686.db2.gz NKSZXMQXEGEUOG-KBRIMQKVSA-N 0 0 330.428 1.897 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)nn1 ZINC000247108671 442835823 /nfs/dbraw/zinc/83/58/23/442835823.db2.gz IUDFCTFRXUNOJK-RDJZCZTQSA-N 0 0 345.491 1.992 10 0 EDAERN CN1C(=O)Cc2cc(NC(=O)N3CC[C@H](N4CCOCC4)C3)ccc21 ZINC000194092337 442844482 /nfs/dbraw/zinc/84/44/82/442844482.db2.gz PQTXDCRYZZRZSR-HNNXBMFYSA-N 0 0 344.415 1.144 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)c3cncc(Cl)n3)CC2)nn1 ZINC000189000110 442858812 /nfs/dbraw/zinc/85/88/12/442858812.db2.gz LALOFCPZTFELCL-UHFFFAOYSA-N 0 0 332.795 1.581 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCCCn2ccnn2)C1 ZINC000182987748 442860076 /nfs/dbraw/zinc/86/00/76/442860076.db2.gz LCIDGTYBBUFORA-CHWSQXEVSA-N 0 0 337.424 1.478 10 0 EDAERN CC(=O)Nc1ccc(C)c(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1 ZINC000189057984 442869051 /nfs/dbraw/zinc/86/90/51/442869051.db2.gz VWSSAGYKARQGQE-HNNXBMFYSA-N 0 0 344.371 1.859 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCOc2cccc(C)c2)CC1 ZINC000178994766 318452151 /nfs/dbraw/zinc/45/21/51/318452151.db2.gz KTJYWOARJPOXRV-INIZCTEOSA-N 0 0 335.448 1.472 10 0 EDAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000188984724 442854371 /nfs/dbraw/zinc/85/43/71/442854371.db2.gz IEPKRIDXDFBXLG-HIFRSBDPSA-N 0 0 346.431 1.570 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCN(C(=O)N[C@H]3C[C@H]3C)CC2)n1 ZINC000247470806 442855172 /nfs/dbraw/zinc/85/51/72/442855172.db2.gz SDKXFOJVSVLSRO-UPJWGTAASA-N 0 0 337.424 1.403 10 0 EDAERN Cc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)c(Br)n1 ZINC000189422432 442948622 /nfs/dbraw/zinc/94/86/22/442948622.db2.gz BEYPXWQEJXJMDY-UHFFFAOYSA-N 0 0 338.205 1.503 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCCc2cccc(F)c2)CC1 ZINC000181737037 318488722 /nfs/dbraw/zinc/48/87/22/318488722.db2.gz SLZLWEOZZITUSQ-QGZVFWFLSA-N 0 0 337.439 1.856 10 0 EDAERN CNc1nnc(CC(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)s1 ZINC000248720739 442921072 /nfs/dbraw/zinc/92/10/72/442921072.db2.gz HYGNPVLPPYLVGU-DCAQKATOSA-N 0 0 338.433 1.455 10 0 EDAERN COc1ccc(-c2nc(C(=O)NC[C@H]3CN(C)CCO3)cs2)cc1 ZINC000194626899 442926322 /nfs/dbraw/zinc/92/63/22/442926322.db2.gz IPDZTNHGCPGSNT-AWEZNQCLSA-N 0 0 347.440 1.879 10 0 EDAERN CC[C@H]1CN(C(=O)C(F)(F)c2ncccc2C)CCN1C[C@@H](C)O ZINC000194695403 442938516 /nfs/dbraw/zinc/93/85/16/442938516.db2.gz DQLYYACCEINAOQ-KGLIPLIRSA-N 0 0 341.402 1.785 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(OC(F)(F)F)c2)C1)C1CC1 ZINC000189460293 442959195 /nfs/dbraw/zinc/95/91/95/442959195.db2.gz ILUQFDSOZFVDKC-UHFFFAOYSA-N 0 0 328.290 1.936 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000189464019 442959798 /nfs/dbraw/zinc/95/97/98/442959798.db2.gz BLOWEHLKOQWAQI-KRWDZBQOSA-N 0 0 347.459 1.664 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)N1CC(NC(=O)C3CC3)C1)CO2 ZINC000189507741 442969942 /nfs/dbraw/zinc/96/99/42/442969942.db2.gz MVYGYVAUKFRYPA-UHFFFAOYSA-N 0 0 328.368 1.208 10 0 EDAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cn1 ZINC000249555507 442987203 /nfs/dbraw/zinc/98/72/03/442987203.db2.gz JOKOIGKPODDLCU-OSAQELSMSA-N 0 0 334.420 1.460 10 0 EDAERN COc1cccc2c1nc(NC(=O)[C@H](C)NC(=O)c1ccco1)n2C ZINC000184146896 442996342 /nfs/dbraw/zinc/99/63/42/442996342.db2.gz FGHHPMFILNMKMF-JTQLQIEISA-N 0 0 342.355 1.932 10 0 EDAERN Cc1ccc(CS(=O)(=O)N2CCC[C@H](n3cncn3)C2)cc1F ZINC000184146231 442996548 /nfs/dbraw/zinc/99/65/48/442996548.db2.gz WJLACOLLLAILKG-AWEZNQCLSA-N 0 0 338.408 1.893 10 0 EDAERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCNC(=O)[C@H]1C ZINC000249109721 442952855 /nfs/dbraw/zinc/95/28/55/442952855.db2.gz XSVMHFAWLXWPJX-VXGBXAGGSA-N 0 0 339.386 1.695 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cn(C)c(=O)cc2C)C12CCOCC2 ZINC000184471885 443025202 /nfs/dbraw/zinc/02/52/02/443025202.db2.gz PQDSIWIFLBHWCP-HUUCEWRRSA-N 0 0 349.431 1.789 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1nc2cccc(C)c2n1C ZINC000184504258 443031023 /nfs/dbraw/zinc/03/10/23/443031023.db2.gz BHTIYYXXKBRTSQ-MRXNPFEDSA-N 0 0 344.459 1.999 10 0 EDAERN COC(=O)CCCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000189952755 443036140 /nfs/dbraw/zinc/03/61/40/443036140.db2.gz QJJNEQNPQHVSHK-STQMWFEESA-N 0 0 326.418 1.419 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000184228308 443003963 /nfs/dbraw/zinc/00/39/63/443003963.db2.gz LZLXFVVSLNUPAZ-MRXNPFEDSA-N 0 0 334.416 1.590 10 0 EDAERN COc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1 ZINC000224154673 443096943 /nfs/dbraw/zinc/09/69/43/443096943.db2.gz UATWRMSPKXDAFA-UHFFFAOYSA-N 0 0 348.428 1.564 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000184771559 443074217 /nfs/dbraw/zinc/07/42/17/443074217.db2.gz DCIGGKUTUDNRKN-RDJZCZTQSA-N 0 0 349.475 1.811 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)/C=C\c3cccnc3)CC2)n1 ZINC000254968249 443079941 /nfs/dbraw/zinc/07/99/41/443079941.db2.gz HGKWTQRXJZJTBW-LMVHVUTASA-N 0 0 341.415 1.946 10 0 EDAERN CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185148545 443148234 /nfs/dbraw/zinc/14/82/34/443148234.db2.gz NLHLYEZUIVVSMV-CVEARBPZSA-N 0 0 338.423 1.380 10 0 EDAERN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cccc3ccn(C)c32)[C@@H](C)C1 ZINC000190560783 443137015 /nfs/dbraw/zinc/13/70/15/443137015.db2.gz YKNMBJDWBAOBMO-BBRMVZONSA-N 0 0 342.443 1.962 10 0 EDAERN O=C(NOC[C@@H]1CCOC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000190424622 443105681 /nfs/dbraw/zinc/10/56/81/443105681.db2.gz DKMYYQJLKNQXBX-IXPVHAAZSA-N 0 0 342.342 1.750 10 0 EDAERN COCC(=O)N[C@H]1CCC12CCN(C(=O)c1ccc(C)nc1)CC2 ZINC000257190170 443120673 /nfs/dbraw/zinc/12/06/73/443120673.db2.gz OLOCEROKPVDOQS-HNNXBMFYSA-N 0 0 331.416 1.537 10 0 EDAERN C[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1cn(C)c2ccccc12 ZINC000185576923 443221897 /nfs/dbraw/zinc/22/18/97/443221897.db2.gz ZQYMZVQVMJMPGY-GJZGRUSLSA-N 0 0 345.443 1.091 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N(CCCCO)C2CC2)C12CCOCC2 ZINC000185673039 443236197 /nfs/dbraw/zinc/23/61/97/443236197.db2.gz CNOJWCBNLATVGN-HOTGVXAUSA-N 0 0 340.464 1.907 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N(CCCCO)C2CC2)C12CCOCC2 ZINC000185673025 443236505 /nfs/dbraw/zinc/23/65/05/443236505.db2.gz CNOJWCBNLATVGN-JKSUJKDBSA-N 0 0 340.464 1.907 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCC(C)(C)CCO)C12CCOCC2 ZINC000185702963 443241799 /nfs/dbraw/zinc/24/17/99/443241799.db2.gz SAJVUMGGQBUZNW-KGLIPLIRSA-N 0 0 328.453 1.668 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000190872676 443201197 /nfs/dbraw/zinc/20/11/97/443201197.db2.gz XPZAQUNASGQINI-GOEBONIOSA-N 0 0 334.416 1.481 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)Cc2ccccc2)C1 ZINC000185453213 443201757 /nfs/dbraw/zinc/20/17/57/443201757.db2.gz VKYLFJFJPAVLDC-UHFFFAOYSA-N 0 0 333.432 1.412 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000191340831 443281036 /nfs/dbraw/zinc/28/10/36/443281036.db2.gz HWNPZEOHZBZXJF-UHFFFAOYSA-N 0 0 344.396 1.096 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000185964923 443291412 /nfs/dbraw/zinc/29/14/12/443291412.db2.gz OYUYXEGHCZMFDV-INIZCTEOSA-N 0 0 343.431 1.997 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCCCN(C)c1ccccc1 ZINC000191273868 443270409 /nfs/dbraw/zinc/27/04/09/443270409.db2.gz AKRYPMQCGAMOMM-HNNXBMFYSA-N 0 0 332.448 1.823 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2Nc2ncnc3c2cnn3C)cn1 ZINC000282973597 443485157 /nfs/dbraw/zinc/48/51/57/443485157.db2.gz LGKNVFVDDDFQKM-GXTWGEPZSA-N 0 0 326.360 1.709 10 0 EDAERN CCC[C@@H](C)CS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1nc(CC)no1 ZINC000328632469 444404852 /nfs/dbraw/zinc/40/48/52/444404852.db2.gz RYAJBNKWPZGFTB-GRYCIOLGSA-N 0 0 331.438 1.506 10 0 EDAERN C[C@H](C(=O)N1CCC[C@H](Nc2ccc(N)nc2)CC1)n1cncn1 ZINC000328634035 444405906 /nfs/dbraw/zinc/40/59/06/444405906.db2.gz MKSWBKKYGOYPSR-OLZOCXBDSA-N 0 0 329.408 1.310 10 0 EDAERN CN(C)c1nccc([C@@H]2CN(C(=O)c3cccn3C3CC3)CCO2)n1 ZINC000328622560 444398197 /nfs/dbraw/zinc/39/81/97/444398197.db2.gz IMAKYSUEJPRKSQ-INIZCTEOSA-N 0 0 341.415 1.893 10 0 EDAERN COc1cc(OC(F)F)c(Br)c(S(N)(=O)=O)c1 ZINC000575683154 447879841 /nfs/dbraw/zinc/87/98/41/447879841.db2.gz LHWXIJVAQZUTLV-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN C/C=C/C=C\C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C ZINC000493322269 448384452 /nfs/dbraw/zinc/38/44/52/448384452.db2.gz NBCLJICELWTGNQ-TZJAVXDZSA-N 0 0 328.416 1.863 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)o1 ZINC000583616394 448442457 /nfs/dbraw/zinc/44/24/57/448442457.db2.gz NCUREKRXPGUMOM-MJBXVCDLSA-N 0 0 329.418 1.447 10 0 EDAERN Cn1ccnc(N2CCC[C@H](NCc3nc4c(s3)CCC4)C2)c1=O ZINC000583623140 448453629 /nfs/dbraw/zinc/45/36/29/448453629.db2.gz SWZVHBHYBMZDJS-LBPRGKRZSA-N 0 0 345.472 1.484 10 0 EDAERN COc1ccc(-n2nnc(CO)c2I)cc1 ZINC000584613274 448585408 /nfs/dbraw/zinc/58/54/08/448585408.db2.gz YMCZBYWVMYVRRR-UHFFFAOYSA-N 0 0 331.113 1.373 10 0 EDAERN COc1cccc(-n2nnc(CO)c2I)c1 ZINC000584613265 448585609 /nfs/dbraw/zinc/58/56/09/448585609.db2.gz XFXKTNUPBLDRRI-UHFFFAOYSA-N 0 0 331.113 1.373 10 0 EDAERN CCc1nnc(Cn2cccc(I)c2=O)n1C ZINC000603343915 450254618 /nfs/dbraw/zinc/25/46/18/450254618.db2.gz JYMRGYZPWMCTDL-UHFFFAOYSA-N 0 0 344.156 1.192 10 0 EDAERN Cc1cccc(C(=O)NC[C@@H]2CC(=O)N(C)C2)c1Br ZINC000619002212 450371986 /nfs/dbraw/zinc/37/19/86/450371986.db2.gz RSOGUSPCIDVYCV-JTQLQIEISA-N 0 0 325.206 1.966 10 0 EDAERN CC(=O)Nc1ccccc1[C@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616583184 450453787 /nfs/dbraw/zinc/45/37/87/450453787.db2.gz AOIXIZONSHWZRX-QGZVFWFLSA-N 0 0 345.424 1.796 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCCO[C@H](Nc2ccccn2)C1 ZINC000616597421 450454871 /nfs/dbraw/zinc/45/48/71/450454871.db2.gz FIISYTQORQLCRK-INIZCTEOSA-N 0 0 333.413 1.931 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN[C@H](c2cccc(CO)c2)C1 ZINC000616604053 450455230 /nfs/dbraw/zinc/45/52/30/450455230.db2.gz UFLOITUBANNRCF-KRWDZBQOSA-N 0 0 332.425 1.514 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(S(N)(=O)=O)C1 ZINC000616668983 450458404 /nfs/dbraw/zinc/45/84/04/450458404.db2.gz IVPPGBUFVPBHPJ-NSHDSACASA-N 0 0 341.433 1.394 10 0 EDAERN CC(C)(C)OC(=O)NCCN1C[C@@H](c2nn[nH]n2)Cc2ccccc21 ZINC000616672244 450458612 /nfs/dbraw/zinc/45/86/12/450458612.db2.gz LVLOSJHSTIUJLY-ZDUSSCGKSA-N 0 0 344.419 1.871 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cccc4c3OCCO4)C[C@@H](C)O2)n1 ZINC000628857748 451442140 /nfs/dbraw/zinc/44/21/40/451442140.db2.gz KSDFNISWIRPWML-QMTHXVAHSA-N 0 0 345.355 1.751 10 0 EDAERN Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H](N)CC(N)=O ZINC000662859886 453574915 /nfs/dbraw/zinc/57/49/15/453574915.db2.gz UKKNZJIXUIBCJU-QMMMGPOBSA-N 0 0 334.601 1.552 10 0 EDAERN COc1cccc2c1CCN(C(=O)N[C@H]1CCc3ncnn3C1)C2 ZINC000183892550 533856948 /nfs/dbraw/zinc/85/69/48/533856948.db2.gz XJKJGWADTLSYNK-ZDUSSCGKSA-N 0 0 327.388 1.369 10 0 EDAERN C[C@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1N1CCOCC1 ZINC000173959517 533890124 /nfs/dbraw/zinc/89/01/24/533890124.db2.gz DXMVLZDMNPLQDD-GOEBONIOSA-N 0 0 341.415 1.060 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c(C)s1 ZINC000173999335 534036453 /nfs/dbraw/zinc/03/64/53/534036453.db2.gz FAGBGYPPFWMZFU-ZDUSSCGKSA-N 0 0 330.475 1.460 10 0 EDAERN Cc1cc2occ(C(=O)NC[C@@H](O)CN3CCOCC3)c2cc1C ZINC000184350825 534144818 /nfs/dbraw/zinc/14/48/18/534144818.db2.gz HDPBMVOMPGOUJB-CQSZACIVSA-N 0 0 332.400 1.473 10 0 EDAERN COC(=O)c1ncn(-c2cccc(Br)c2C(N)=S)n1 ZINC000168813861 534361216 /nfs/dbraw/zinc/36/12/16/534361216.db2.gz DPUUNNGGGDYSPT-UHFFFAOYSA-N 0 0 341.190 1.451 10 0 EDAERN CC1(C)CN(C(=O)NCCN2CCc3ccccc3C2=O)CCO1 ZINC000188641337 520434266 /nfs/dbraw/zinc/43/42/66/520434266.db2.gz HSIRBJTWPRGSDA-UHFFFAOYSA-N 0 0 331.416 1.505 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)N2CCC[C@@H]2CO)c(Cl)c1 ZINC000167031232 534530204 /nfs/dbraw/zinc/53/02/04/534530204.db2.gz SXJURMIXOKCFJR-SECBINFHSA-N 0 0 334.850 1.120 10 0 EDAERN NC(=S)c1ccc(Cl)c(NC(=O)[C@H]2CCCCS2(=O)=O)c1 ZINC000168488252 534529827 /nfs/dbraw/zinc/52/98/27/534529827.db2.gz SIMMKMZSSRQAQZ-LLVKDONJSA-N 0 0 346.861 1.880 10 0 EDAERN CN(C[C@@H]1CCCO1)C(=O)NCCN1CCc2ccccc2C1=O ZINC000188644190 523049738 /nfs/dbraw/zinc/04/97/38/523049738.db2.gz RHIXFLXJGKDSET-HNNXBMFYSA-N 0 0 331.416 1.505 10 0 EDAERN CN1CCO[C@H](CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246276656 536444591 /nfs/dbraw/zinc/44/45/91/536444591.db2.gz BDMJTYHRPYZXSO-ZIAGYGMSSA-N 0 0 347.242 1.864 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000174681026 526896309 /nfs/dbraw/zinc/89/63/09/526896309.db2.gz NCFKHKITLKJOAP-HNNXBMFYSA-N 0 0 346.431 1.714 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(=O)n(CC)c2)C12CCOCC2 ZINC000185936892 527821792 /nfs/dbraw/zinc/82/17/92/527821792.db2.gz DQDWZWJDUWGXJL-HUUCEWRRSA-N 0 0 349.431 1.964 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C12CCOCC2 ZINC000187121836 527932004 /nfs/dbraw/zinc/93/20/04/527932004.db2.gz UNGKTXUYYJAQGM-LSDHHAIUSA-N 0 0 345.399 1.560 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000155267742 527995734 /nfs/dbraw/zinc/99/57/34/527995734.db2.gz FZNTVDPSDNUMCA-AWEZNQCLSA-N 0 0 333.436 1.210 10 0 EDAERN CC1(Cn2cc(C(=O)N3CCC(Cn4cccn4)CC3)nn2)COC1 ZINC000184922418 528008913 /nfs/dbraw/zinc/00/89/13/528008913.db2.gz YFFNPLUDETZCBV-UHFFFAOYSA-N 0 0 344.419 1.064 10 0 EDAERN CC(C)c1ccccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187985051 528191378 /nfs/dbraw/zinc/19/13/78/528191378.db2.gz XYBVOYUBGSGKQM-UHFFFAOYSA-N 0 0 329.400 1.486 10 0 EDAERN CCOC(C)(C)CNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000187661046 528410781 /nfs/dbraw/zinc/41/07/81/528410781.db2.gz GJGPWYICYRMZKX-AWEZNQCLSA-N 0 0 335.452 1.902 10 0 EDAERN CCNc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2CCOC2)cc1Cl ZINC000166821923 528448586 /nfs/dbraw/zinc/44/85/86/528448586.db2.gz KERWLVWRAUWNMS-VHSXEESVSA-N 0 0 333.841 1.870 10 0 EDAERN CC(C)n1nnnc1CSCC(=O)NCCOc1ccccc1 ZINC000176914140 528701701 /nfs/dbraw/zinc/70/17/01/528701701.db2.gz GDLIGDLQXVCSNY-UHFFFAOYSA-N 0 0 335.433 1.682 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000176567939 528704699 /nfs/dbraw/zinc/70/46/99/528704699.db2.gz NBXMJMXUXDHNRY-OZAJXLCCSA-N 0 0 349.460 1.550 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000078086106 535137557 /nfs/dbraw/zinc/13/75/57/535137557.db2.gz QJVKHBADGUYKPE-MRXNPFEDSA-N 0 0 331.416 1.567 10 0 EDAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247334061 535155535 /nfs/dbraw/zinc/15/55/35/535155535.db2.gz YAJXOEYIPXJNDZ-KKUMJFAQSA-N 0 0 325.453 1.700 10 0 EDAERN CCOc1ccccc1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175437794 535508334 /nfs/dbraw/zinc/50/83/34/535508334.db2.gz IRAPPONUGJDHRI-OAHLLOKOSA-N 0 0 345.403 1.795 10 0 EDAERN CCOCCN1CCN([C@@H]2CCN(c3ccccc3F)C2=O)C[C@H]1C ZINC000246585324 535608324 /nfs/dbraw/zinc/60/83/24/535608324.db2.gz NZPJEMJOACZYBS-CRAIPNDOSA-N 0 0 349.450 1.974 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc3c(c1)NC(=O)C3)CC2 ZINC000182437604 536162051 /nfs/dbraw/zinc/16/20/51/536162051.db2.gz JMIRUJKPUPDATJ-CYBMUJFWSA-N 0 0 339.399 1.009 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(Cc1cccnc1)C1CC1)CC2 ZINC000114976363 536162241 /nfs/dbraw/zinc/16/22/41/536162241.db2.gz ICVLPTHKWRQTEF-CQSZACIVSA-N 0 0 340.431 1.925 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)c1ccccc1C)CC2 ZINC000114975775 536164482 /nfs/dbraw/zinc/16/44/82/536164482.db2.gz YCSQDDXIPCQBEJ-HIFRSBDPSA-N 0 0 343.431 1.497 10 0 EDAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)C[C@H](N)C(F)(F)C(F)(F)F)C1 ZINC000757152666 578634955 /nfs/dbraw/zinc/63/49/55/578634955.db2.gz ZJEMQBDQHVIRRA-YIZRAAEISA-N 0 0 338.342 1.819 10 0 EDAERN NC(=O)[C@@H]1CCN1c1ncc(Br)cc1Br ZINC000757142422 578634368 /nfs/dbraw/zinc/63/43/68/578634368.db2.gz FWNWELBULWFZJC-ZETCQYMHSA-N 0 0 334.999 1.671 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)N2CCOc3cccc(F)c32)C1=O ZINC000888076311 590930526 /nfs/dbraw/zinc/93/05/26/590930526.db2.gz XRPNYLNTAMMGEP-CQSZACIVSA-N 0 0 336.363 1.579 10 0 EDAERN Cc1noc(C[C@]2(O)CCCN(Cc3cn4ccccc4n3)C2)n1 ZINC000888077163 590932300 /nfs/dbraw/zinc/93/23/00/590932300.db2.gz PHRXFYZGZPATFN-QGZVFWFLSA-N 0 0 327.388 1.595 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000888077778 590934089 /nfs/dbraw/zinc/93/40/89/590934089.db2.gz UNOVOMXRDSCNDE-HZPDHXFCSA-N 0 0 342.399 1.648 10 0 EDAERN CCn1nc(C)c(C(=O)NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1 ZINC000888078219 590934671 /nfs/dbraw/zinc/93/46/71/590934671.db2.gz AINHMFFMVXEWJQ-SWLSCSKDSA-N 0 0 332.408 1.238 10 0 EDAERN Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888094856 591025580 /nfs/dbraw/zinc/02/55/80/591025580.db2.gz FYGSOYHJTLGFSE-JKSUJKDBSA-N 0 0 331.420 1.429 10 0 EDAERN Cn1ccc(C(=O)NC[C@@H]2C[C@@H](c3nnc[nH]3)C[C@@H]2O)c1C1CCC1 ZINC000888095520 591025759 /nfs/dbraw/zinc/02/57/59/591025759.db2.gz PELLMPLUXMPSDJ-IPYPFGDCSA-N 0 0 343.431 1.695 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)n1ccnc1 ZINC000898907512 591593997 /nfs/dbraw/zinc/59/39/97/591593997.db2.gz RPRIDBRWBYJNCD-ZIAGYGMSSA-N 0 0 331.420 1.729 10 0 EDAERN C[C@@H](CC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1)c1cnn(C)c1 ZINC000899089265 591681160 /nfs/dbraw/zinc/68/11/60/591681160.db2.gz NNWOYVOBWSEBFD-SWLSCSKDSA-N 0 0 328.420 1.856 10 0 EDAERN Cn1cc([C@@]2(C)CN(C(=O)c3ccc4[nH]cnc4c3F)CCO2)cn1 ZINC000896987474 591705265 /nfs/dbraw/zinc/70/52/65/591705265.db2.gz ZTBFVWQQSDHYFB-QGZVFWFLSA-N 0 0 343.362 1.823 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC000898226827 591841963 /nfs/dbraw/zinc/84/19/63/591841963.db2.gz QDTALHVGOHXIQT-PWSUYJOCSA-N 0 0 336.392 1.441 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3n[nH]cc32)cn1 ZINC000818607937 593707602 /nfs/dbraw/zinc/70/76/02/593707602.db2.gz XFVGXYIXJKZTDP-JKSUJKDBSA-N 0 0 341.371 1.356 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccnc(Cl)c1 ZINC000101963657 595281983 /nfs/dbraw/zinc/28/19/83/595281983.db2.gz YBVLJUSNMPSOQD-LBPRGKRZSA-N 0 0 346.836 1.982 10 0 EDAERN CC(=O)N[C@H]1CCCN(Cn2[nH]c(-c3ccccn3)nc2=S)C1 ZINC000117319371 595617649 /nfs/dbraw/zinc/61/76/49/595617649.db2.gz XJKCBYIRZBMOHO-LBPRGKRZSA-N 0 0 332.433 1.561 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000117927553 595872566 /nfs/dbraw/zinc/87/25/66/595872566.db2.gz PHCDKDLKKZFDSX-UHFFFAOYSA-N 0 0 339.808 1.471 10 0 EDAERN CC(C)[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000118872990 596300571 /nfs/dbraw/zinc/30/05/71/596300571.db2.gz DLVOXKYGCCHOAT-IMJJTQAJSA-N 0 0 334.416 1.919 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CN3C[C@H](CC)CC3=O)CC2)n1 ZINC000119313677 596511331 /nfs/dbraw/zinc/51/13/31/596511331.db2.gz HBCWLCMZXGAPQO-ZIAGYGMSSA-N 0 0 335.452 1.527 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCN1C[C@@H](C)O ZINC000122767034 596639689 /nfs/dbraw/zinc/63/96/89/596639689.db2.gz AEEBLIINHFOUQB-BZYXRLQRSA-N 0 0 338.473 1.764 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)O1 ZINC000124024170 596866440 /nfs/dbraw/zinc/86/64/40/596866440.db2.gz IVTIUJIQHUMHTG-FZMZJTMJSA-N 0 0 332.356 1.191 10 0 EDAERN C[C@H](CN1CCOCC1)OC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000181604898 699858234 /nfs/dbraw/zinc/85/82/34/699858234.db2.gz IWQZPZOIQAUCIS-AEFFLSMTSA-N 0 0 332.444 1.915 10 0 EDAERN COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000184348526 703118348 /nfs/dbraw/zinc/11/83/48/703118348.db2.gz ZMWBRHVARXUWHR-AWEZNQCLSA-N 0 0 329.312 1.821 10 0 EDAERN Cn1nccc1CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000185855629 705648367 /nfs/dbraw/zinc/64/83/67/705648367.db2.gz MBINXVGGVGXWME-RDJZCZTQSA-N 0 0 344.390 1.438 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1)[C@@H]1CCCO1 ZINC000186677052 712133130 /nfs/dbraw/zinc/13/31/30/712133130.db2.gz GBSOJDOCRJGODU-BDAKNGLRSA-N 0 0 331.294 1.723 10 0 EDAERN CC(=O)c1cc(Br)ccc1O[C@H]1CS(=O)(=O)C[C@H]1O ZINC000052067869 214115234 /nfs/dbraw/zinc/11/52/34/214115234.db2.gz GTWWXATVBYEXRI-PWSUYJOCSA-N 0 0 349.202 1.188 10 0 EDAERN Cc1nc(N)sc1C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000055175100 214283546 /nfs/dbraw/zinc/28/35/46/214283546.db2.gz BYLPJZBVBZCJKE-UHFFFAOYSA-N 0 0 326.403 1.242 10 0 EDAERN Cc1cccc2nc(CNC(=O)N3CC[C@H](N4CCOCC4)C3)cn21 ZINC000173892676 231062982 /nfs/dbraw/zinc/06/29/82/231062982.db2.gz RZRFECBXXWHWGM-INIZCTEOSA-N 0 0 343.431 1.259 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173993921 231093697 /nfs/dbraw/zinc/09/36/97/231093697.db2.gz VDXOZETZIYETEC-OAHLLOKOSA-N 0 0 337.851 1.993 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc(C)c1F ZINC000173997537 231094693 /nfs/dbraw/zinc/09/46/93/231094693.db2.gz NXUGIMJAZMHXNC-CQSZACIVSA-N 0 0 342.436 1.538 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174036590 231105525 /nfs/dbraw/zinc/10/55/25/231105525.db2.gz IOIDJVSRYALWEC-AWEZNQCLSA-N 0 0 331.424 1.218 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Nc3nc4ccccn4n3)CCO2)[nH]1 ZINC000184337228 529701951 /nfs/dbraw/zinc/70/19/51/529701951.db2.gz WDDZYHFXXOKAPP-SNVBAGLBSA-N 0 0 342.363 1.015 10 0 EDAERN CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2C(N)=S)c1 ZINC000061885900 214682222 /nfs/dbraw/zinc/68/22/22/214682222.db2.gz ZQDBXCWFZLLMHC-VXGBXAGGSA-N 0 0 326.443 1.275 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(C(N)=S)cc2)CCCO1 ZINC000061932487 214687674 /nfs/dbraw/zinc/68/76/74/214687674.db2.gz GTFBRAGWOVSHES-LLVKDONJSA-N 0 0 328.459 1.261 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000187409888 529789069 /nfs/dbraw/zinc/78/90/69/529789069.db2.gz DMJFOKWEZOMDLP-CYBMUJFWSA-N 0 0 341.358 1.184 10 0 EDAERN CN(C)c1ncncc1NC(=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000184428877 529816712 /nfs/dbraw/zinc/81/67/12/529816712.db2.gz ZQHGJYZWYLKAHC-UHFFFAOYSA-N 0 0 343.431 1.422 10 0 EDAERN CC1(C)Cc2cccc(S(=O)(=O)NC[C@@]3(O)CCSC3)c2O1 ZINC000328780591 534959176 /nfs/dbraw/zinc/95/91/76/534959176.db2.gz JENKOYNOZJMSEY-HNNXBMFYSA-N 0 0 343.470 1.546 10 0 EDAERN CCCCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000012023115 201822625 /nfs/dbraw/zinc/82/26/25/201822625.db2.gz DWBMQGMWGMJVRO-UHFFFAOYSA-N 0 0 344.820 1.936 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)N2CCS(=O)CC2)[C@@H]1c1ccccc1 ZINC000171804270 282607645 /nfs/dbraw/zinc/60/76/45/282607645.db2.gz XWXQFEVSOJGLCE-ZBFHGGJFSA-N 0 0 334.441 1.187 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000248985339 539695277 /nfs/dbraw/zinc/69/52/77/539695277.db2.gz UYGUZRNTMJVDME-VNHYZAJKSA-N 0 0 347.346 1.809 10 0 EDAERN O=C(Nc1nc(-c2ccccc2F)cs1)C(=O)N1CCC[C@H]1CO ZINC000120925684 304013402 /nfs/dbraw/zinc/01/34/02/304013402.db2.gz HEYPFGXREFKTQW-JTQLQIEISA-N 0 0 349.387 1.871 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H](C)C2 ZINC000182221351 234507167 /nfs/dbraw/zinc/50/71/67/234507167.db2.gz CMSVRXXLDOPUNH-SJCJKPOMSA-N 0 0 341.415 1.338 10 0 EDAERN O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1CCCC[C@H]1CO ZINC000162677828 540048572 /nfs/dbraw/zinc/04/85/72/540048572.db2.gz XCMBMUPJLNKCTD-ZFWWWQNUSA-N 0 0 329.404 1.999 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCCn3ncnc31)C2 ZINC000177567798 540105038 /nfs/dbraw/zinc/10/50/38/540105038.db2.gz WYQFTNRIRSSRRX-TZMCWYRMSA-N 0 0 328.372 1.489 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)C[C@@H]1N1CCOCC1 ZINC000177835139 540106712 /nfs/dbraw/zinc/10/67/12/540106712.db2.gz GLYFMUNFJSEMFZ-DOMZBBRYSA-N 0 0 331.420 1.538 10 0 EDAERN O=C(CNC(=O)N(CCO)[C@H]1CCCc2ccccc21)NCC1CC1 ZINC000183782139 235223508 /nfs/dbraw/zinc/22/35/08/235223508.db2.gz SPVOMUNICWULGQ-KRWDZBQOSA-N 0 0 345.443 1.594 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)c3coc(C)n3)CC2)n1 ZINC000187075726 540153931 /nfs/dbraw/zinc/15/39/31/540153931.db2.gz LMUPLLNEDUSTKT-UHFFFAOYSA-N 0 0 331.376 1.443 10 0 EDAERN Nc1ncc(Br)cc1S(=O)(=O)N1CCCCCC1 ZINC000020467583 202044528 /nfs/dbraw/zinc/04/45/28/202044528.db2.gz HSAJSZWUNZHVLD-UHFFFAOYSA-N 0 0 334.239 1.991 10 0 EDAERN COc1cccc(CNc2nn[nH]n2)c1OCC(=O)NC(C)(C)C ZINC000020877225 202057138 /nfs/dbraw/zinc/05/71/38/202057138.db2.gz IIUHYQDZVSRRRX-UHFFFAOYSA-N 0 0 334.380 1.114 10 0 EDAERN COCC(=O)NC1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000185269406 235629485 /nfs/dbraw/zinc/62/94/85/235629485.db2.gz WYMRTQJHILWIKZ-UHFFFAOYSA-N 0 0 340.807 1.471 10 0 EDAERN CN(C)c1cc(NC(=O)CN2CCN(C)CC2)c2ccccc2n1 ZINC000022457912 202085056 /nfs/dbraw/zinc/08/50/56/202085056.db2.gz GNXBSNHSDYSITD-UHFFFAOYSA-N 0 0 327.432 1.487 10 0 EDAERN O=C(NCCCn1ncccc1=O)c1ccccc1Br ZINC000023241737 202099915 /nfs/dbraw/zinc/09/99/15/202099915.db2.gz CWERNVHIHDEWKL-UHFFFAOYSA-N 0 0 336.189 1.826 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000077365412 138252486 /nfs/dbraw/zinc/25/24/86/138252486.db2.gz DEFBRQAVFCLXLJ-GASCZTMLSA-N 0 0 335.423 1.584 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000077747377 138254504 /nfs/dbraw/zinc/25/45/04/138254504.db2.gz KLBPTDKAVFTTLI-RNCFNFMXSA-N 0 0 325.372 1.812 10 0 EDAERN CN(CCCNC(=O)NC[C@@H]1CCCC[C@@H]1O)CC(F)(F)F ZINC000077776821 138255018 /nfs/dbraw/zinc/25/50/18/138255018.db2.gz ZOZWLOPTNRHTNQ-RYUDHWBXSA-N 0 0 325.375 1.721 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000082977226 138268215 /nfs/dbraw/zinc/26/82/15/138268215.db2.gz QCKXGYJJNORRRM-GFCCVEGCSA-N 0 0 333.779 1.830 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)NC[C@H]1CCCC[C@H]1O ZINC000086334663 138270880 /nfs/dbraw/zinc/27/08/80/138270880.db2.gz RTLVYNXPJLSHQR-QMTHXVAHSA-N 0 0 326.343 1.362 10 0 EDAERN C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)c(Cl)c1 ZINC000079727061 138262542 /nfs/dbraw/zinc/26/25/42/138262542.db2.gz NADQAPIUHGLOJR-ZETCQYMHSA-N 0 0 325.731 1.047 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)CCC1CCCC1 ZINC000081813583 138267497 /nfs/dbraw/zinc/26/74/97/138267497.db2.gz OGCAPQVQBLDQMD-AWEZNQCLSA-N 0 0 333.436 1.624 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000081814133 138267728 /nfs/dbraw/zinc/26/77/28/138267728.db2.gz WCSHIIZGRUZISZ-QWRGUYRKSA-N 0 0 348.432 1.399 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)COCC(C)C ZINC000088755910 138272752 /nfs/dbraw/zinc/27/27/52/138272752.db2.gz QNBPKYYYIHFIHW-OLZOCXBDSA-N 0 0 339.440 1.008 10 0 EDAERN C[C@@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1ccc(Cl)s1 ZINC000091172569 138282410 /nfs/dbraw/zinc/28/24/10/138282410.db2.gz DUYQODAXPVHJGS-SNVBAGLBSA-N 0 0 345.852 1.963 10 0 EDAERN CCc1ccc(NC(=O)NC[C@H](O)CN2CCOCC2)cc1F ZINC000093092643 138291636 /nfs/dbraw/zinc/29/16/36/138291636.db2.gz VOGSZPRAAWXOFM-AWEZNQCLSA-N 0 0 325.384 1.203 10 0 EDAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(Nc2cccnn2)CC1 ZINC000105805146 138301725 /nfs/dbraw/zinc/30/17/25/138301725.db2.gz PCDVUYCVIIFEJU-GFCCVEGCSA-N 0 0 348.451 1.366 10 0 EDAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCC(N(C)c2cccnn2)CC1 ZINC000105910513 138302603 /nfs/dbraw/zinc/30/26/03/138302603.db2.gz BWKUQPQOEGDJKE-NSHDSACASA-N 0 0 345.369 1.444 10 0 EDAERN COc1cc(Br)ccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000111160264 138307964 /nfs/dbraw/zinc/30/79/64/138307964.db2.gz JFEZUELVEBQWMI-NSHDSACASA-N 0 0 343.221 1.518 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCn1nc(C)cc1C)CC2 ZINC000114911050 138310844 /nfs/dbraw/zinc/31/08/44/138310844.db2.gz SLGVRRDACBGZNE-AWEZNQCLSA-N 0 0 345.451 1.358 10 0 EDAERN COc1cc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1O ZINC000116527161 138311833 /nfs/dbraw/zinc/31/18/33/138311833.db2.gz HEMRXJBRUMPMOC-CYBMUJFWSA-N 0 0 330.388 1.833 10 0 EDAERN COc1ccc(-n2nnc(C(=O)N[C@@H](C)[C@H]3CCCO3)c2C)cc1 ZINC000027907648 202161351 /nfs/dbraw/zinc/16/13/51/202161351.db2.gz JMIVKAVNPRBKAW-XHDPSFHLSA-N 0 0 330.388 1.882 10 0 EDAERN C[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nnc2n1CCCC2 ZINC000129978949 138339462 /nfs/dbraw/zinc/33/94/62/138339462.db2.gz SFEOYRMOCGOZMZ-LLVKDONJSA-N 0 0 343.387 1.904 10 0 EDAERN O=C(Nc1cccc(OCCF)c1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000130877460 138348773 /nfs/dbraw/zinc/34/87/73/138348773.db2.gz DXAXAWYRZZDKDG-HNNXBMFYSA-N 0 0 349.406 1.670 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)cc2Cl)C1)C1CCC1 ZINC000186181489 235841492 /nfs/dbraw/zinc/84/14/92/235841492.db2.gz SVERMLXWMBSTFN-UHFFFAOYSA-N 0 0 346.811 1.768 10 0 EDAERN Cc1ccc(NC(=O)CS(=O)(=O)CC(=O)NC(C)(C)C)cc1 ZINC000031867546 202210921 /nfs/dbraw/zinc/21/09/21/202210921.db2.gz FVBJCSNYKOTMBB-UHFFFAOYSA-N 0 0 326.418 1.263 10 0 EDAERN CCC(CC)(CO)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133000043 138387017 /nfs/dbraw/zinc/38/70/17/138387017.db2.gz IPLJIOZQROKUBT-CYBMUJFWSA-N 0 0 337.468 1.814 10 0 EDAERN NC(=O)NCc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000135747046 138428441 /nfs/dbraw/zinc/42/84/41/138428441.db2.gz HNQUEWUDKBHYQJ-MRXNPFEDSA-N 0 0 340.383 1.543 10 0 EDAERN Cn1cc(CCCNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000186827883 236035303 /nfs/dbraw/zinc/03/53/03/236035303.db2.gz GQZUDDXTZFSFOQ-HOTGVXAUSA-N 0 0 348.472 1.832 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccccc2OC(F)F)C1)C1CC1 ZINC000187923058 236342234 /nfs/dbraw/zinc/34/22/34/236342234.db2.gz IHXJFGCSBTZJIR-UHFFFAOYSA-N 0 0 346.355 1.187 10 0 EDAERN O=C(NC1CN(C[C@H](O)c2ccccc2Br)C1)C1CC1 ZINC000187979040 236367146 /nfs/dbraw/zinc/36/71/46/236367146.db2.gz VYDACYOTGLAIKM-AWEZNQCLSA-N 0 0 339.233 1.693 10 0 EDAERN CCc1cccc(CC)c1NC(=O)CSc1nncc(=O)n1N ZINC000032521075 202226123 /nfs/dbraw/zinc/22/61/23/202226123.db2.gz YZKGVFOWCLPQRE-UHFFFAOYSA-N 0 0 333.417 1.208 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc3c(c2)COC3)cn1 ZINC000127936461 138618336 /nfs/dbraw/zinc/61/83/36/138618336.db2.gz PWEVTFXHBPJGKJ-INIZCTEOSA-N 0 0 340.383 1.753 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)CNc1ccccc1)CC2 ZINC000128765353 138622459 /nfs/dbraw/zinc/62/24/59/138622459.db2.gz RHOVCCIYIXARIN-ZFWWWQNUSA-N 0 0 342.447 1.955 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(F)cc1F)CC2 ZINC000172257391 138663841 /nfs/dbraw/zinc/66/38/41/138663841.db2.gz PSWCKKNLOZXLHM-NSHDSACASA-N 0 0 336.342 1.629 10 0 EDAERN CCCCOCC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172331320 138664345 /nfs/dbraw/zinc/66/43/45/138664345.db2.gz FORAWYHVIPXKOJ-UHFFFAOYSA-N 0 0 336.436 1.798 10 0 EDAERN Cc1cc(NC(=O)N[C@H]2CCCn3ncnc32)n(-c2ccccn2)n1 ZINC000176830674 138713222 /nfs/dbraw/zinc/71/32/22/138713222.db2.gz JMBRVTCEUHVCKV-LBPRGKRZSA-N 0 0 338.375 1.824 10 0 EDAERN O=C(NCc1nnc2n1CCCCC2)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178482752 138742118 /nfs/dbraw/zinc/74/21/18/138742118.db2.gz BQYPBGNOXNEDTB-KDOFPFPSSA-N 0 0 347.463 1.841 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000178942367 138748167 /nfs/dbraw/zinc/74/81/67/138748167.db2.gz OIFIEBSBDNDJBM-CHWSQXEVSA-N 0 0 333.436 1.091 10 0 EDAERN COCc1cccc(CC(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000189729879 237194912 /nfs/dbraw/zinc/19/49/12/237194912.db2.gz KTBWESDPJJYMOD-KRWDZBQOSA-N 0 0 328.416 1.906 10 0 EDAERN CCc1ccc(N2CC[C@@H](C(=O)NCc3c[nH]nc3C)C2=O)cc1 ZINC000035429155 202303367 /nfs/dbraw/zinc/30/33/67/202303367.db2.gz YJSQREODSHDMSC-INIZCTEOSA-N 0 0 326.400 1.950 10 0 EDAERN CCOC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000036091882 202313854 /nfs/dbraw/zinc/31/38/54/202313854.db2.gz CAALCPJXJVHIHL-CQSZACIVSA-N 0 0 340.807 1.393 10 0 EDAERN CCOC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000036096202 202314796 /nfs/dbraw/zinc/31/47/96/202314796.db2.gz JRYUNLLIEVWUQH-UHFFFAOYSA-N 0 0 328.324 1.984 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)no1 ZINC000036100866 202315651 /nfs/dbraw/zinc/31/56/51/202315651.db2.gz RYAPCMNBONUXGB-VIFPVBQESA-N 0 0 327.337 1.428 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2C)no1 ZINC000036100883 202316550 /nfs/dbraw/zinc/31/65/50/202316550.db2.gz DHDRALOUSBWLSB-LBPRGKRZSA-N 0 0 337.401 1.905 10 0 EDAERN C[NH2+]CCC[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000036298285 202320970 /nfs/dbraw/zinc/32/09/70/202320970.db2.gz OAICNPHIQLFHOI-UHFFFAOYSA-N 0 0 343.193 1.615 10 0 EDAERN CN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1C(N)=S ZINC000070395227 202332849 /nfs/dbraw/zinc/33/28/49/202332849.db2.gz USNDUAGLWYQUOV-UHFFFAOYSA-N 0 0 330.328 1.643 10 0 EDAERN CN(c1cc(Br)ccc1C=O)[C@@H]1CCS(=O)(=O)C1 ZINC000036870244 202333206 /nfs/dbraw/zinc/33/32/06/202333206.db2.gz PUONAYMDVMJRHP-LLVKDONJSA-N 0 0 332.219 1.885 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=S)c2)C[C@@H](C)S1 ZINC000070387544 202333267 /nfs/dbraw/zinc/33/32/67/202333267.db2.gz KHYNDWKRPGVIJU-NXEZZACHSA-N 0 0 330.500 1.835 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Br)cn1C1CC1 ZINC000036859459 202333311 /nfs/dbraw/zinc/33/33/11/202333311.db2.gz XZFKDJBFOYCRPH-SECBINFHSA-N 0 0 347.234 1.502 10 0 EDAERN C[C@@H]1CN(c2nc(Cl)nc(N3CCOCC3)n2)C[C@@H](C)S1 ZINC000070388591 202333619 /nfs/dbraw/zinc/33/36/19/202333619.db2.gz ZSIGILHSKBGOKE-NXEZZACHSA-N 0 0 329.857 1.692 10 0 EDAERN C[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2N)C[C@H](C)S1 ZINC000070382876 202334014 /nfs/dbraw/zinc/33/40/14/202334014.db2.gz HTLUUBVUIQMDQA-QWRGUYRKSA-N 0 0 329.491 1.849 10 0 EDAERN CCCCN(CCO)S(=O)(=O)c1cc(C(N)=S)ccc1C ZINC000070431544 202334595 /nfs/dbraw/zinc/33/45/95/202334595.db2.gz MVSQEHDVIYRRSP-UHFFFAOYSA-N 0 0 330.475 1.412 10 0 EDAERN CCN[C@](C)(Cn1cc(I)cn1)C(=O)OC ZINC000070678488 202338148 /nfs/dbraw/zinc/33/81/48/202338148.db2.gz JVKUFCNLUUMZEV-SNVBAGLBSA-N 0 0 337.161 1.029 10 0 EDAERN COC(=O)CCC(=O)NC(=S)NCc1ccc(OC(C)C)cc1 ZINC000036561917 202325938 /nfs/dbraw/zinc/32/59/38/202325938.db2.gz HSWXOTIRRUIINQ-UHFFFAOYSA-N 0 0 338.429 1.918 10 0 EDAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br ZINC000036721856 202329134 /nfs/dbraw/zinc/32/91/34/202329134.db2.gz IDCSWDFMJHYACO-HTRCEHHLSA-N 0 0 333.207 1.691 10 0 EDAERN O=C1c2ccccc2C(=O)N1[C@]1(C(F)(F)F)CCC(=O)NC1=O ZINC000038879232 202332606 /nfs/dbraw/zinc/33/26/06/202332606.db2.gz OGWSBKYCUBJDIZ-CYBMUJFWSA-N 0 0 326.230 1.020 10 0 EDAERN Nc1cc(-c2cccc(I)c2)nn1CCO ZINC000037400131 202340149 /nfs/dbraw/zinc/34/01/49/202340149.db2.gz FOKPYZLURYFWGD-UHFFFAOYSA-N 0 0 329.141 1.729 10 0 EDAERN O=S(=O)(N[C@H]1CN2CCC1CC2)c1cccc(Br)c1 ZINC000037382725 202340383 /nfs/dbraw/zinc/34/03/83/202340383.db2.gz QNUKHJHYUXITAY-ZDUSSCGKSA-N 0 0 345.262 1.822 10 0 EDAERN COCc1c(N)c(=O)n(Cc2ccccc2Br)n1C ZINC000071194617 202341531 /nfs/dbraw/zinc/34/15/31/202341531.db2.gz DUWNLIFUWZGNRJ-UHFFFAOYSA-N 0 0 326.194 1.726 10 0 EDAERN CO[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000071247927 202342089 /nfs/dbraw/zinc/34/20/89/202342089.db2.gz OUWSXHNGPOIHNT-NWDGAFQWSA-N 0 0 332.422 1.306 10 0 EDAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1c[nH]ccc1=O ZINC000071222718 202342757 /nfs/dbraw/zinc/34/27/57/202342757.db2.gz RLYQMJJIOVRQNO-UHFFFAOYSA-N 0 0 330.768 1.988 10 0 EDAERN COCCN(CCC(N)=S)CC(=O)Nc1ccccc1Cl ZINC000071225849 202343249 /nfs/dbraw/zinc/34/32/49/202343249.db2.gz JTPOLGZLLPRDFI-UHFFFAOYSA-N 0 0 329.853 1.903 10 0 EDAERN O=Cc1cc(Cl)cc(Cl)c1O[C@H]1CS(=O)(=O)C[C@H]1O ZINC000037693063 202353511 /nfs/dbraw/zinc/35/35/11/202353511.db2.gz ZDPNVYMVCHZTDT-ZJUUUORDSA-N 0 0 325.169 1.343 10 0 EDAERN Nc1n[nH]cc1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000037558621 202346126 /nfs/dbraw/zinc/34/61/26/202346126.db2.gz MQKWYWDICVKARR-UHFFFAOYSA-N 0 0 335.158 1.694 10 0 EDAERN COc1cc(Br)c([C@@H](NC2CC2)C(N)=O)cc1OC ZINC000037895140 202373755 /nfs/dbraw/zinc/37/37/55/202373755.db2.gz AKYUPKMAHFBSFT-GFCCVEGCSA-N 0 0 329.194 1.745 10 0 EDAERN Cc1cc(S(=O)(=O)NCc2cn[nH]c2)ccc1Br ZINC000038007255 202385893 /nfs/dbraw/zinc/38/58/93/202385893.db2.gz WNLVJCFUEKMKGB-UHFFFAOYSA-N 0 0 330.207 1.959 10 0 EDAERN NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(Br)ccc1Cl ZINC000038068563 202391629 /nfs/dbraw/zinc/39/16/29/202391629.db2.gz SDBPANSLYCJXKZ-XVKPBYJWSA-N 0 0 347.596 1.163 10 0 EDAERN COc1ccc([C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000041131881 202474233 /nfs/dbraw/zinc/47/42/33/202474233.db2.gz WWRHNKZYEQLGHF-DZGCQCFKSA-N 0 0 325.430 1.738 10 0 EDAERN COC(=O)[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000184143907 138791935 /nfs/dbraw/zinc/79/19/35/138791935.db2.gz OLXRQTCTCKDLGJ-MRXNPFEDSA-N 0 0 344.342 1.586 10 0 EDAERN Cc1ccc(CS(=O)(=O)N2CCC[C@@H](n3cncn3)C2)cc1F ZINC000184146248 138791980 /nfs/dbraw/zinc/79/19/80/138791980.db2.gz WJLACOLLLAILKG-CQSZACIVSA-N 0 0 338.408 1.893 10 0 EDAERN CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCc2ccccc21 ZINC000041256287 202478993 /nfs/dbraw/zinc/47/89/93/202478993.db2.gz YZIOKGPUMNUXLF-INIZCTEOSA-N 0 0 331.416 1.642 10 0 EDAERN Cc1c(C(=O)N2CCCC[C@@H]2CCO)sc2ncn(C)c(=O)c12 ZINC000041293338 202479254 /nfs/dbraw/zinc/47/92/54/202479254.db2.gz ROFXYNURDAMDRH-LLVKDONJSA-N 0 0 335.429 1.681 10 0 EDAERN Cn1nc(C(=O)NCCS(C)(=O)=O)cc1-c1ccc(F)cc1 ZINC000041340010 202480145 /nfs/dbraw/zinc/48/01/45/202480145.db2.gz AXFPVPREYMIBOC-UHFFFAOYSA-N 0 0 325.365 1.001 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1Cc3ccccc3C(=O)O1)CC2 ZINC000114870210 201072295 /nfs/dbraw/zinc/07/22/95/201072295.db2.gz UDRYNEVDUPUBQI-JSGCOSHPSA-N 0 0 340.383 1.053 10 0 EDAERN CC(C)COc1ccc(CC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112646736 201066526 /nfs/dbraw/zinc/06/65/26/201066526.db2.gz FJIMNEMCBOQOAG-OAHLLOKOSA-N 0 0 328.416 1.987 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C(N)=O)c(C)c1)CC2 ZINC000114906679 201073093 /nfs/dbraw/zinc/07/30/93/201073093.db2.gz MTBHOJRSQOUZFT-LBPRGKRZSA-N 0 0 342.403 1.384 10 0 EDAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCO[C@H]3CCCC[C@@H]31)C2=O ZINC000046493381 201106403 /nfs/dbraw/zinc/10/64/03/201106403.db2.gz MJBSEBUEBFFFID-HOTGVXAUSA-N 0 0 342.395 1.761 10 0 EDAERN CSc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000187362783 138826234 /nfs/dbraw/zinc/82/62/34/138826234.db2.gz QWZKRLMDOQEYQS-CYBMUJFWSA-N 0 0 342.486 1.504 10 0 EDAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000051134571 201126015 /nfs/dbraw/zinc/12/60/15/201126015.db2.gz MAMSUXGNYBHMAM-NSHDSACASA-N 0 0 349.412 1.818 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cccc3c1OCO3)CC2 ZINC000136808080 201134049 /nfs/dbraw/zinc/13/40/49/201134049.db2.gz FXTBRMNKTYNJKE-LLVKDONJSA-N 0 0 328.372 1.875 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1n[nH]c3ccccc13)CC2 ZINC000136833655 201134187 /nfs/dbraw/zinc/13/41/87/201134187.db2.gz CLSYDMZFAGIPMS-LBPRGKRZSA-N 0 0 338.415 1.952 10 0 EDAERN C[C@@H]([NH3+])C(=O)N[C@@H](COC(=O)CCCCC1CCCCC1)C(=O)[O-] ZINC000090636410 201372189 /nfs/dbraw/zinc/37/21/89/201372189.db2.gz TVZQGTQERNGWRH-OCCSQVGLSA-N 0 0 342.436 1.587 10 0 EDAERN CN(C)CCn1ncc(Cl)c1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000140840182 201355944 /nfs/dbraw/zinc/35/59/44/201355944.db2.gz IPTQJIZJBOEKNS-SNVBAGLBSA-N 0 0 333.841 1.106 10 0 EDAERN NC(=O)NCCSc1ncnc2c1ncn2Cc1ccccc1 ZINC000001696261 201359080 /nfs/dbraw/zinc/35/90/80/201359080.db2.gz NCXZFLURFIYNTE-UHFFFAOYSA-N 0 0 328.401 1.635 10 0 EDAERN CCNc1cc(C(=O)NC[C@@H]2CCCS2(=O)=O)cc(Cl)n1 ZINC000155477130 201397849 /nfs/dbraw/zinc/39/78/49/201397849.db2.gz BJIVTOGCDPXBJD-JTQLQIEISA-N 0 0 331.825 1.474 10 0 EDAERN CCS(=O)(=O)C[C@H](C)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000153301073 201394308 /nfs/dbraw/zinc/39/43/08/201394308.db2.gz ADZCFRWCPRXZTL-NSHDSACASA-N 0 0 334.463 1.683 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)N1CC(NC(=O)C3CCC3)C1)CO2 ZINC000188549838 138844495 /nfs/dbraw/zinc/84/44/95/138844495.db2.gz NDZBNPNWZITEOO-UHFFFAOYSA-N 0 0 342.395 1.598 10 0 EDAERN CC(C)N(CCO)C(=O)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000049382351 202621852 /nfs/dbraw/zinc/62/18/52/202621852.db2.gz FDTMKKDDNJCIKN-UHFFFAOYSA-N 0 0 339.823 1.811 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1cccc2ccccc21 ZINC000188668167 138848360 /nfs/dbraw/zinc/84/83/60/138848360.db2.gz XIQOMYDGZMUFOB-SJLPKXTDSA-N 0 0 326.396 1.780 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1OC1CCCC1 ZINC000188672510 138848509 /nfs/dbraw/zinc/84/85/09/138848509.db2.gz KUUZLTRYIOZKDC-CZUORRHYSA-N 0 0 332.400 1.928 10 0 EDAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)N1CCCCCCC1 ZINC000055245258 202685367 /nfs/dbraw/zinc/68/53/67/202685367.db2.gz RPJBKHJBUXIYLI-KRWDZBQOSA-N 0 0 344.459 1.565 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCCNC(=O)[C@@H]3C)cc2F)n1 ZINC000188887171 138854859 /nfs/dbraw/zinc/85/48/59/138854859.db2.gz SVYAWIFHZWWJKJ-ZDUSSCGKSA-N 0 0 344.390 1.979 10 0 EDAERN CCOC(=O)c1cnn2c1[nH]c(=O)c(Cc1cccc(F)c1)c2O ZINC000216050284 241159818 /nfs/dbraw/zinc/15/98/18/241159818.db2.gz HYYKLDGMJHTPMT-UHFFFAOYSA-N 0 0 331.303 1.635 10 0 EDAERN O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1cncs1 ZINC000222506790 241521912 /nfs/dbraw/zinc/52/19/12/241521912.db2.gz ZEDGXRXKCOYKCM-ZIAGYGMSSA-N 0 0 334.397 1.602 10 0 EDAERN C[C@]1(C[C@@H]2CCCN2c2cnc3c(n2)CCCC3)NC(=O)NC1=O ZINC000333534940 291394941 /nfs/dbraw/zinc/39/49/41/291394941.db2.gz MULQKLGISCOEGC-APPDUMDISA-N 0 0 329.404 1.312 10 0 EDAERN CC(=O)O[C@]1(C)[C@](C)([C@](C)(O)CO)O[C@]2(C)OC(C)(C)O[C@]21C ZINC000005291947 201645432 /nfs/dbraw/zinc/64/54/32/201645432.db2.gz JUCOWZOERKEZOP-LEOABGAYSA-N 0 0 332.393 1.098 10 0 EDAERN CC(C)N(C)c1cccc(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000190665933 138894775 /nfs/dbraw/zinc/89/47/75/138894775.db2.gz NHZLAUBQSRXVLQ-ZDUSSCGKSA-N 0 0 346.431 1.207 10 0 EDAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCO[C@H](c2nccs2)C1 ZINC000191554165 138917384 /nfs/dbraw/zinc/91/73/84/138917384.db2.gz YMPWJUIQMLRAAL-KGLIPLIRSA-N 0 0 344.396 1.631 10 0 EDAERN CCCOc1ccc(S(=O)(=O)NC[C@](C)(O)COC)cc1C ZINC000070780396 203081685 /nfs/dbraw/zinc/08/16/85/203081685.db2.gz IVCFRMGPVSIDDP-HNNXBMFYSA-N 0 0 331.434 1.460 10 0 EDAERN Cc1nn(Cc2cccc(Br)c2)c(C)c1S(N)(=O)=O ZINC000071194476 203087428 /nfs/dbraw/zinc/08/74/28/203087428.db2.gz UBPNTWFRMVCODP-UHFFFAOYSA-N 0 0 344.234 1.958 10 0 EDAERN COCCOCCN1c2cc(Br)ccc2C(=O)C1=O ZINC000070481111 203078767 /nfs/dbraw/zinc/07/87/67/203078767.db2.gz BQUOBMLRIPMVNM-UHFFFAOYSA-N 0 0 328.162 1.641 10 0 EDAERN COCCNC(=O)c1ccc(NC(=O)Cn2cc(C)ccc2=O)cc1 ZINC000071542148 203100545 /nfs/dbraw/zinc/10/05/45/203100545.db2.gz HMCADZCVAKAZKC-UHFFFAOYSA-N 0 0 343.383 1.172 10 0 EDAERN CCOC(=O)CCN(C[C@H](C)O)C(=O)COc1ccc(CC)cc1 ZINC000071634033 203100751 /nfs/dbraw/zinc/10/07/51/203100751.db2.gz HTTCCJLIUUCNSK-AWEZNQCLSA-N 0 0 337.416 1.790 10 0 EDAERN COC(=O)[C@H](C)CN(CCNC(C)=O)C(=O)NC1CCCCC1 ZINC000071623090 203100927 /nfs/dbraw/zinc/10/09/27/203100927.db2.gz ZXNVPNNHDCYJJL-GFCCVEGCSA-N 0 0 327.425 1.276 10 0 EDAERN CC[C@H](CO)N(CCC(=O)OC)C(=O)c1ccc(Br)o1 ZINC000071626156 203100969 /nfs/dbraw/zinc/10/09/69/203100969.db2.gz LZCZOYIUNAHIAG-SECBINFHSA-N 0 0 348.193 1.818 10 0 EDAERN Nc1c(Br)cccc1C(=O)NCCCN1CCOCC1 ZINC000071698581 203103322 /nfs/dbraw/zinc/10/33/22/203103322.db2.gz RJKPTAKDYNXLTR-UHFFFAOYSA-N 0 0 342.237 1.483 10 0 EDAERN C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1cccc(-n2ccnc2)c1 ZINC000073752679 203272749 /nfs/dbraw/zinc/27/27/49/203272749.db2.gz UIMISRAVDDCSTA-LBPRGKRZSA-N 0 0 329.404 1.744 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cnc(Cl)cn3)CCO2)n1 ZINC000192740781 138952687 /nfs/dbraw/zinc/95/26/87/138952687.db2.gz NFMZEYLQCYMFIM-LBPRGKRZSA-N 0 0 335.795 1.485 10 0 EDAERN [NH3+][C@H]1C[C@@H](C(=O)[O-])N(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000077288108 203378715 /nfs/dbraw/zinc/37/87/15/203378715.db2.gz AFMUSJFHMDMZFU-KBPBESRZSA-N 0 0 332.791 1.783 10 0 EDAERN CCc1nc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)sc1C ZINC000193128685 138961909 /nfs/dbraw/zinc/96/19/09/138961909.db2.gz QHAYXXHSRQCCPZ-LLVKDONJSA-N 0 0 348.432 1.504 10 0 EDAERN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)[C@@H]1CNC(=O)C1 ZINC000194649328 138997600 /nfs/dbraw/zinc/99/76/00/138997600.db2.gz RYGYNMSVXISADS-LBPRGKRZSA-N 0 0 329.331 1.765 10 0 EDAERN CCCn1c(-c2ccc(Cl)cc2OC)nnc1S(N)(=O)=O ZINC000158414060 203985611 /nfs/dbraw/zinc/98/56/11/203985611.db2.gz GHKXASUTCBOEOQ-UHFFFAOYSA-N 0 0 330.797 1.665 10 0 EDAERN O=C1NCCN1CCOc1ccc(I)cc1 ZINC000042418227 204092214 /nfs/dbraw/zinc/09/22/14/204092214.db2.gz FFHCIMSDNGZXMV-UHFFFAOYSA-N 0 0 332.141 1.695 10 0 EDAERN COC[C@H](C)Cn1nnnc1-c1cc(N)ccc1Br ZINC000041680389 204053952 /nfs/dbraw/zinc/05/39/52/204053952.db2.gz YKJYEVJXYVGUKP-MRVPVSSYSA-N 0 0 326.198 1.967 10 0 EDAERN CCCNC(=O)CN1C(=O)C(=O)c2cc(Br)cc(C)c21 ZINC000042117966 204061770 /nfs/dbraw/zinc/06/17/70/204061770.db2.gz HNZDWWDXXAQNOO-UHFFFAOYSA-N 0 0 339.189 1.813 10 0 EDAERN COC[C@H](O)CN(C)C(=O)CCc1cccc(Br)c1 ZINC000042501035 204100159 /nfs/dbraw/zinc/10/01/59/204100159.db2.gz NTOLWTWYZAKNQI-CYBMUJFWSA-N 0 0 330.222 1.847 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000104343233 204105829 /nfs/dbraw/zinc/10/58/29/204105829.db2.gz FWISEPCMTOYKES-SNVBAGLBSA-N 0 0 328.210 1.669 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1cccc(F)c1 ZINC000105798342 204159871 /nfs/dbraw/zinc/15/98/71/204159871.db2.gz LDSSJCWWMDLITN-UHFFFAOYSA-N 0 0 329.379 1.767 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)NCc1ccc(F)cc1 ZINC000105798637 204161111 /nfs/dbraw/zinc/16/11/11/204161111.db2.gz WDKVWUKHRFMNRZ-UHFFFAOYSA-N 0 0 343.406 1.444 10 0 EDAERN CCCN(CCC)C(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820416 204165107 /nfs/dbraw/zinc/16/51/07/204165107.db2.gz BEWRHXCHHXXYHI-LJQANCHMSA-N 0 0 347.503 1.986 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000105831914 204166417 /nfs/dbraw/zinc/16/64/17/204166417.db2.gz GOVJDUOXVBYLEJ-GJZGRUSLSA-N 0 0 347.459 1.869 10 0 EDAERN C[C@H](CNC(=O)Nc1cccc(-c2nccn2C)c1)N1CCOCC1 ZINC000105343225 204143843 /nfs/dbraw/zinc/14/38/43/204143843.db2.gz ULEBKFYZPBWTHR-CQSZACIVSA-N 0 0 343.431 1.929 10 0 EDAERN CC(C)(O)C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000105414347 204146114 /nfs/dbraw/zinc/14/61/14/204146114.db2.gz WFPLWYSTXANVJC-CYBMUJFWSA-N 0 0 330.425 1.339 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000105864429 204172145 /nfs/dbraw/zinc/17/21/45/204172145.db2.gz ALEBQLNQSZXVEJ-WMLDXEAASA-N 0 0 330.432 1.660 10 0 EDAERN C[C@H](c1nc(C2CC2)no1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869951 204173137 /nfs/dbraw/zinc/17/31/37/204173137.db2.gz YHFLLASYHPJKIR-CYBMUJFWSA-N 0 0 330.436 1.949 10 0 EDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1ccc(Cl)cc1 ZINC000105888943 204176283 /nfs/dbraw/zinc/17/62/83/204176283.db2.gz BAMQDRJNZXLNFH-HNNXBMFYSA-N 0 0 334.807 1.876 10 0 EDAERN Cc1cnn(C[C@H]2CN(C[C@H](O)c3ccc(F)cc3F)CCO2)c1 ZINC000105892614 204176620 /nfs/dbraw/zinc/17/66/20/204176620.db2.gz DKKUGPNLZNLCAA-PBHICJAKSA-N 0 0 337.370 1.904 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000106397430 204193830 /nfs/dbraw/zinc/19/38/30/204193830.db2.gz ACQXOZHAACBVPM-HNNXBMFYSA-N 0 0 346.406 1.745 10 0 EDAERN Cn1cc(N2CC[C@H](N3CC[C@H](Oc4cccnc4)C3)C2=O)cn1 ZINC000152259232 204263207 /nfs/dbraw/zinc/26/32/07/204263207.db2.gz IXQMYHNJLLCCJU-HOTGVXAUSA-N 0 0 327.388 1.074 10 0 EDAERN O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109095293 204277441 /nfs/dbraw/zinc/27/74/41/204277441.db2.gz HKNMCWXTJGVUOH-NWDGAFQWSA-N 0 0 344.383 1.220 10 0 EDAERN COc1cc(N)ccc1S(=O)(=O)N(C)Cc1csc(C)n1 ZINC000044608931 204303526 /nfs/dbraw/zinc/30/35/26/204303526.db2.gz QVHABWXOBTVHIR-UHFFFAOYSA-N 0 0 327.431 1.863 10 0 EDAERN Cc1cc(C)n2nc(C(=O)N3CCO[C@@H](c4nccs4)C3)nc2n1 ZINC000110876062 204325429 /nfs/dbraw/zinc/32/54/29/204325429.db2.gz XRYUFSGHNMNYAS-LLVKDONJSA-N 0 0 344.400 1.411 10 0 EDAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCO[C@@H](c2nccs2)C1 ZINC000110880489 204326282 /nfs/dbraw/zinc/32/62/82/204326282.db2.gz ZJKCQODOXGOGFG-UONOGXRCSA-N 0 0 344.392 1.825 10 0 EDAERN CCCN(CC(=O)N(C)C)C(=O)c1cc(N)ccc1Br ZINC000045624496 204328921 /nfs/dbraw/zinc/32/89/21/204328921.db2.gz CKKNWPSCTMKCOI-UHFFFAOYSA-N 0 0 342.237 1.972 10 0 EDAERN Cc1nnc(COC(=O)c2cc(N)ccc2Br)n1C ZINC000045626067 204329244 /nfs/dbraw/zinc/32/92/44/204329244.db2.gz XMNWSNOKIZJFNY-UHFFFAOYSA-N 0 0 325.166 1.825 10 0 EDAERN CCc1ccccc1OCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078903 204334936 /nfs/dbraw/zinc/33/49/36/204334936.db2.gz LVYDJONUANVDSI-MRXNPFEDSA-N 0 0 329.400 1.752 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078387 204335276 /nfs/dbraw/zinc/33/52/76/204335276.db2.gz ADEKYUNMSFRKKM-JBEBIEQOSA-N 0 0 347.440 1.552 10 0 EDAERN O=C(c1cc(-c2cccnc2)on1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111088812 204336932 /nfs/dbraw/zinc/33/69/32/204336932.db2.gz GCLKMHUSOZRXFP-AWEZNQCLSA-N 0 0 339.355 1.474 10 0 EDAERN COCCNC(=O)[C@@H](C)Oc1c(Br)cccc1CO ZINC000048797191 204353649 /nfs/dbraw/zinc/35/36/49/204353649.db2.gz GTKGAABTQVMGAF-SECBINFHSA-N 0 0 332.194 1.471 10 0 EDAERN CCCCC[C@@H](C)NS(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000049104989 204364521 /nfs/dbraw/zinc/36/45/21/204364521.db2.gz GJIHOFXOPIRLNW-LLVKDONJSA-N 0 0 334.463 1.581 10 0 EDAERN C[C@H]1Cc2ccccc2N1CCNC(=O)N(C)CCn1cccn1 ZINC000111844098 204375493 /nfs/dbraw/zinc/37/54/93/204375493.db2.gz VERWBUBTQYYMJS-HNNXBMFYSA-N 0 0 327.432 1.976 10 0 EDAERN COC[C@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111852408 204377340 /nfs/dbraw/zinc/37/73/40/204377340.db2.gz SDIJUCOHEHKECN-IRXDYDNUSA-N 0 0 344.415 1.681 10 0 EDAERN CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112661468 204410112 /nfs/dbraw/zinc/41/01/12/204410112.db2.gz GXZVMPDQUHUGJS-CQSZACIVSA-N 0 0 342.399 1.771 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](c3ccccc3)N(C)C)CCO2)c1 ZINC000112064999 204381036 /nfs/dbraw/zinc/38/10/36/204381036.db2.gz FNGPGRGLDOTHGE-ROUUACIJSA-N 0 0 342.443 1.722 10 0 EDAERN COc1ccccc1CNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112104154 204382018 /nfs/dbraw/zinc/38/20/18/204382018.db2.gz CGWDQFAPIHEOKD-INIZCTEOSA-N 0 0 344.415 1.811 10 0 EDAERN COc1ccc(O)c(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000112117680 204383995 /nfs/dbraw/zinc/38/39/95/204383995.db2.gz AKGMGCBLMZQDDR-AWEZNQCLSA-N 0 0 331.372 1.447 10 0 EDAERN Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000113298542 204438991 /nfs/dbraw/zinc/43/89/91/204438991.db2.gz IDGKODTVZRBQKO-NSHDSACASA-N 0 0 326.809 1.533 10 0 EDAERN CCCCOC[C@@H](O)CN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000195191710 139009513 /nfs/dbraw/zinc/00/95/13/139009513.db2.gz BKNHDDYSRFLMLE-HOCLYGCPSA-N 0 0 328.840 1.808 10 0 EDAERN O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@@H]1COc2ccccc21 ZINC000195192620 139009720 /nfs/dbraw/zinc/00/97/20/139009720.db2.gz CFMUOTFNIJZZHS-SNVBAGLBSA-N 0 0 326.316 1.037 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1ccc(F)cc1F ZINC000195519845 139019482 /nfs/dbraw/zinc/01/94/82/139019482.db2.gz WVZIXXNKBMVJRY-UHFFFAOYSA-N 0 0 343.355 1.735 10 0 EDAERN Cc1cc(NC(=O)CN2CCC[C@H](Cc3noc(C)n3)C2)n(C)n1 ZINC000195518048 139019143 /nfs/dbraw/zinc/01/91/43/139019143.db2.gz VIHDHKOIRDDZBU-CYBMUJFWSA-N 0 0 332.408 1.313 10 0 EDAERN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1C[C@@H]1C ZINC000221902190 139021082 /nfs/dbraw/zinc/02/10/82/139021082.db2.gz OCSOOVMNVQKNOF-QEJZJMRPSA-N 0 0 336.457 1.828 10 0 EDAERN Nc1cc(Br)ccc1C(=O)NC[C@@H](O)C(F)(F)F ZINC000225284449 139021394 /nfs/dbraw/zinc/02/13/94/139021394.db2.gz DWMBBKBTBKSWBR-MRVPVSSYSA-N 0 0 327.100 1.684 10 0 EDAERN O=C(Nc1cc(F)ccc1OC(F)F)C(=O)N1CCC[C@@H]1CO ZINC000121123552 204781522 /nfs/dbraw/zinc/78/15/22/204781522.db2.gz RHEXOFGGCMNFFN-SECBINFHSA-N 0 0 332.278 1.349 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N(CCO)C1CC1 ZINC000050791096 204864751 /nfs/dbraw/zinc/86/47/51/204864751.db2.gz QKAJMJFSUUQLNW-UHFFFAOYSA-N 0 0 328.210 1.873 10 0 EDAERN CCOCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000125359886 205006250 /nfs/dbraw/zinc/00/62/50/205006250.db2.gz RARNPXQDGWDTKU-CYBMUJFWSA-N 0 0 342.461 1.382 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126049248 205037710 /nfs/dbraw/zinc/03/77/10/205037710.db2.gz RTVXGRYIDZKANE-UHFFFAOYSA-N 0 0 341.477 1.727 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000127008664 205080518 /nfs/dbraw/zinc/08/05/18/205080518.db2.gz KXWNGFXVBLLCEF-GHMZBOCLSA-N 0 0 329.393 1.620 10 0 EDAERN O=C(Nc1ccc2nccnc2c1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195272089 284344252 /nfs/dbraw/zinc/34/42/52/284344252.db2.gz CTLXDHSLWLTPRQ-OAHLLOKOSA-N 0 0 334.335 1.818 10 0 EDAERN Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000127534312 205105303 /nfs/dbraw/zinc/10/53/03/205105303.db2.gz UGEYAHXEUZOHFS-GFCCVEGCSA-N 0 0 332.853 1.600 10 0 EDAERN CC[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2N)C1 ZINC000162093909 205150148 /nfs/dbraw/zinc/15/01/48/205150148.db2.gz OTXVMYPNLCUZFG-SNVBAGLBSA-N 0 0 332.447 1.093 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccc(OC2CCCC2)c1 ZINC000128069073 205131915 /nfs/dbraw/zinc/13/19/15/205131915.db2.gz RTEWUVDXUPTZLB-INIZCTEOSA-N 0 0 348.443 1.431 10 0 EDAERN COC(=O)[C@@H](NC(=O)c1cc(N)cc(Br)c1)C(C)C ZINC000147638397 205297446 /nfs/dbraw/zinc/29/74/46/205297446.db2.gz VHIAKIHQCPJZRJ-NSHDSACASA-N 0 0 329.194 1.959 10 0 EDAERN Cc1ccc(-n2nnnc2N2CCN(CC3CCCC3)C(=O)C2)cc1 ZINC000158394260 205322595 /nfs/dbraw/zinc/32/25/95/205322595.db2.gz OHYNOWKWHAMQRE-UHFFFAOYSA-N 0 0 340.431 1.810 10 0 EDAERN CC(C)N(CCc1nccs1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000158809738 205371751 /nfs/dbraw/zinc/37/17/51/205371751.db2.gz ZJSRUEZBINLWGN-LBPRGKRZSA-N 0 0 334.449 1.712 10 0 EDAERN COc1ccc(C[C@H](C)C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000134271264 205398322 /nfs/dbraw/zinc/39/83/22/205398322.db2.gz JWSJUHVZDLRGQV-YJBOKZPZSA-N 0 0 343.427 1.998 10 0 EDAERN O=C(c1cn[nH]c1)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000135541246 205466298 /nfs/dbraw/zinc/46/62/98/205466298.db2.gz UNBWLAYHEBPEJX-UHFFFAOYSA-N 0 0 336.399 1.553 10 0 EDAERN COC[C@@H](C)CNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000149534708 205571145 /nfs/dbraw/zinc/57/11/45/205571145.db2.gz JFUPGLKVKZSXNI-XJKSGUPXSA-N 0 0 336.432 1.848 10 0 EDAERN Nc1cccc2c1CCCN2C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000238046023 139067572 /nfs/dbraw/zinc/06/75/72/139067572.db2.gz PXGWPKABGVZHGY-CHWSQXEVSA-N 0 0 341.411 1.723 10 0 EDAERN CCn1cc(Br)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000112022894 220230061 /nfs/dbraw/zinc/23/00/61/220230061.db2.gz JOOOOEQAISPQSW-LLVKDONJSA-N 0 0 330.226 1.331 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000153359368 205840962 /nfs/dbraw/zinc/84/09/62/205840962.db2.gz LBHQLJHCDOYDPT-HOTGVXAUSA-N 0 0 333.432 1.787 10 0 EDAERN C[C@H](O)CN(C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H](C)CO ZINC000190202950 299450861 /nfs/dbraw/zinc/45/08/61/299450861.db2.gz NFQKPXGIMOUWJU-OBJOEFQTSA-N 0 0 348.365 1.933 10 0 EDAERN COc1ccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)CC2=O)cc1 ZINC000245701448 139083489 /nfs/dbraw/zinc/08/34/89/139083489.db2.gz VGWLJNVVVJNKML-UHOFOFEASA-N 0 0 332.400 1.468 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000245689969 139083186 /nfs/dbraw/zinc/08/31/86/139083186.db2.gz ARCYHNUHMRYGIU-AGIUHOORSA-N 0 0 343.210 1.810 10 0 EDAERN COc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000155546980 206014870 /nfs/dbraw/zinc/01/48/70/206014870.db2.gz ZXVVEUVRPFEQNY-LLVKDONJSA-N 0 0 346.362 1.522 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[S@@](C)=O ZINC000156099376 206055250 /nfs/dbraw/zinc/05/52/50/206055250.db2.gz ACPICKPPCYLELF-PWJLMRLQSA-N 0 0 340.264 1.494 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccccc1Br)[S@@](C)=O ZINC000156202079 206063409 /nfs/dbraw/zinc/06/34/09/206063409.db2.gz LAGKQGIKNXWGQD-PWJLMRLQSA-N 0 0 340.264 1.494 10 0 EDAERN CCNc1ncc(Br)c(N[C@H](C)CS(C)(=O)=O)n1 ZINC000156249922 206063894 /nfs/dbraw/zinc/06/38/94/206063894.db2.gz SZWSQWQRVWCHBF-SSDOTTSWSA-N 0 0 337.243 1.516 10 0 EDAERN Cc1nncn1-c1cccc(NC(=O)[C@H](C)NC(=O)c2ccco2)c1 ZINC000156826211 206100952 /nfs/dbraw/zinc/10/09/52/206100952.db2.gz MNDFQJYRNRCTIZ-NSHDSACASA-N 0 0 339.355 1.926 10 0 EDAERN COC(=O)N[C@@H](C(=O)Nc1cccc(-n2cnnc2C)c1)C(C)C ZINC000156841790 206103768 /nfs/dbraw/zinc/10/37/68/206103768.db2.gz KHZFYSHTLKNSIE-CQSZACIVSA-N 0 0 331.376 1.895 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)CCc1ccc(OC)cc1 ZINC000156899842 206106557 /nfs/dbraw/zinc/10/65/57/206106557.db2.gz WUNKSKRTEFAYRQ-BBRMVZONSA-N 0 0 333.432 1.936 10 0 EDAERN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000156643573 206091231 /nfs/dbraw/zinc/09/12/31/206091231.db2.gz GOQSEZAUBOWYFJ-JTQLQIEISA-N 0 0 337.742 1.140 10 0 EDAERN C[C@@H](Oc1ccc(Br)cc1C(N)=S)C(=O)N(C)C ZINC000157488238 206139030 /nfs/dbraw/zinc/13/90/30/206139030.db2.gz RGPFUWCHMXCTAN-SSDOTTSWSA-N 0 0 331.235 1.939 10 0 EDAERN Cc1ccc(Br)cc1-n1cc(C[C@H]([NH3+])C(=O)[O-])nn1 ZINC000157598271 206146626 /nfs/dbraw/zinc/14/66/26/206146626.db2.gz UBMSFCZFFFCRLE-JTQLQIEISA-N 0 0 325.166 1.293 10 0 EDAERN CC[C@@H](C)NC(=O)[C@H](C)n1ncc(I)cc1=O ZINC000158582400 206199932 /nfs/dbraw/zinc/19/99/32/206199932.db2.gz MHMHFFXUVWWCJJ-SFYZADRCSA-N 0 0 349.172 1.324 10 0 EDAERN CCCCn1ncc(NCC[S@](C)=O)c(Br)c1=O ZINC000158655110 206203090 /nfs/dbraw/zinc/20/30/90/206203090.db2.gz ZRBUYMBTGJIROV-GOSISDBHSA-N 0 0 336.255 1.596 10 0 EDAERN C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)[C@@H]1CCCO1 ZINC000246043382 139092996 /nfs/dbraw/zinc/09/29/96/139092996.db2.gz SDTCUBSGUHACQR-IMJJTQAJSA-N 0 0 333.432 1.553 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)[C@H]2COc3ccccc32)C[C@@H]1C ZINC000246076036 139093917 /nfs/dbraw/zinc/09/39/17/139093917.db2.gz BVDSDOLUGDCRIA-ZMSDIMECSA-N 0 0 347.459 1.913 10 0 EDAERN COCCN(C)S(=O)(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000246214155 139099511 /nfs/dbraw/zinc/09/95/11/139099511.db2.gz SPMZCMXIZUFWMJ-HOTGVXAUSA-N 0 0 342.461 1.398 10 0 EDAERN O=C([C@@H]1CCOc2ccc(Cl)cc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000329795353 284495321 /nfs/dbraw/zinc/49/53/21/284495321.db2.gz WIRUTTFIOWWPAH-VXGBXAGGSA-N 0 0 335.791 1.647 10 0 EDAERN COC(C)(C)CNS(=O)(=O)c1ccc(N)c(Br)c1 ZINC000159891777 206268712 /nfs/dbraw/zinc/26/87/12/206268712.db2.gz DMTUJFYCMZCHEK-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN COC(=O)[C@H](COc1cc(F)ccc1Br)NC(C)=O ZINC000160121278 206280573 /nfs/dbraw/zinc/28/05/73/206280573.db2.gz DQADEWGUMWQRGU-JTQLQIEISA-N 0 0 334.141 1.645 10 0 EDAERN CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(N)=O ZINC000001640319 206307591 /nfs/dbraw/zinc/30/75/91/206307591.db2.gz RVVQEXKXIZCDGV-TZMCWYRMSA-N 0 0 335.404 1.318 10 0 EDAERN Cc1ccc(Br)c(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c1 ZINC000161222704 206336214 /nfs/dbraw/zinc/33/62/14/206336214.db2.gz KWVQSYCGBXSYGT-SECBINFHSA-N 0 0 330.203 1.798 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000162393399 206399907 /nfs/dbraw/zinc/39/99/07/206399907.db2.gz UNVLGKARWYVIAK-NSHDSACASA-N 0 0 333.310 1.083 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(F)c(F)c1 ZINC000163824661 206473154 /nfs/dbraw/zinc/47/31/54/206473154.db2.gz AYWLVSBTGYFXIE-GMOODISLSA-N 0 0 327.331 1.358 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000105851818 206454797 /nfs/dbraw/zinc/45/47/97/206454797.db2.gz UTABJRWBNIHFAD-KBPBESRZSA-N 0 0 333.436 1.400 10 0 EDAERN CCC1(CC)[C@H](NC(=O)NC[C@H](C)N2CCOCC2)C[C@@H]1OC ZINC000247166069 139138336 /nfs/dbraw/zinc/13/83/36/139138336.db2.gz YFIOMFLGUNPGAZ-ZNMIVQPWSA-N 0 0 327.469 1.600 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cc(C)ccc2F)C[C@H]1C ZINC000247246370 139142293 /nfs/dbraw/zinc/14/22/93/139142293.db2.gz XISKDIYWOLAZCQ-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1cc(Br)ccc1N ZINC000167148405 206537508 /nfs/dbraw/zinc/53/75/08/206537508.db2.gz MZPLLFDZNAVBMY-ZETCQYMHSA-N 0 0 347.234 1.472 10 0 EDAERN CCCNc1ncc(Br)c(-n2cnc(C(=O)OC)n2)n1 ZINC000167681599 206540465 /nfs/dbraw/zinc/54/04/65/206540465.db2.gz HNUPDBLYIQGEKO-UHFFFAOYSA-N 0 0 341.169 1.428 10 0 EDAERN CC1(C)NC(=O)CCN(Cc2cncc(Br)c2)C1=O ZINC000168913712 206548431 /nfs/dbraw/zinc/54/84/31/206548431.db2.gz ZPYZEUSNRQQSFN-UHFFFAOYSA-N 0 0 326.194 1.471 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)Nc2cccnc2N2CCCC2)C[C@H]1C ZINC000247685814 139153971 /nfs/dbraw/zinc/15/39/71/139153971.db2.gz UZAOWZNJJLTDGH-CABCVRRESA-N 0 0 347.463 1.601 10 0 EDAERN O=S(=O)(Cc1noc2ccccc21)N1CCN2CCCC[C@H]2C1 ZINC000248709468 139172646 /nfs/dbraw/zinc/17/26/46/139172646.db2.gz BNNPMHLYGVMQJC-ZDUSSCGKSA-N 0 0 335.429 1.828 10 0 EDAERN CCn1cc([C@H]2CN([C@@H](C(N)=O)c3ccc(F)cc3)CCO2)cn1 ZINC000248804492 139175788 /nfs/dbraw/zinc/17/57/88/139175788.db2.gz RDKQZLNTZHWPFV-HZPDHXFCSA-N 0 0 332.379 1.642 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000248983766 139182275 /nfs/dbraw/zinc/18/22/75/139182275.db2.gz ULSNMJQRPNYZPO-USXIJHARSA-N 0 0 345.443 1.172 10 0 EDAERN Cc1cc(C)n2c(CN3CCN(Cc4ccon4)CC3)cnc2n1 ZINC000093560990 218231841 /nfs/dbraw/zinc/23/18/41/218231841.db2.gz MRWYRVSGHMQDKL-UHFFFAOYSA-N 0 0 326.404 1.652 10 0 EDAERN C[C@@H]1CN(C(=O)CCCCC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000249373206 139191838 /nfs/dbraw/zinc/19/18/38/139191838.db2.gz FMMRUPXMUIRTOO-RUPPMWDTSA-N 0 0 340.464 1.818 10 0 EDAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CCN2CCCC[C@H]2C1 ZINC000249480376 139193900 /nfs/dbraw/zinc/19/39/00/139193900.db2.gz VJOREPDMCHXKSS-NSHDSACASA-N 0 0 334.392 1.007 10 0 EDAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749801 206866575 /nfs/dbraw/zinc/86/65/75/206866575.db2.gz KGTCYUKAYDSGRP-HIFRSBDPSA-N 0 0 329.400 1.046 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000174285177 207007161 /nfs/dbraw/zinc/00/71/61/207007161.db2.gz DFKGNMJAYQIDSI-ZIAGYGMSSA-N 0 0 334.416 1.182 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)[C@@H](O)c3ccccc3)CC2)cn1 ZINC000174655143 207042398 /nfs/dbraw/zinc/04/23/98/207042398.db2.gz QYQVUOKVWYCBNR-SFHVURJKSA-N 0 0 342.443 1.671 10 0 EDAERN Cn1cc(C(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000174865843 207067540 /nfs/dbraw/zinc/06/75/40/207067540.db2.gz OIUUVIMBPMIAQV-HOTGVXAUSA-N 0 0 327.384 1.718 10 0 EDAERN Cc1nc(SCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000175007562 207083955 /nfs/dbraw/zinc/08/39/55/207083955.db2.gz YSPQEPWLCMHZLK-LBPRGKRZSA-N 0 0 347.448 1.123 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(O)cc1 ZINC000175307990 207115226 /nfs/dbraw/zinc/11/52/26/207115226.db2.gz UCUYAMUYSOSURV-HNNXBMFYSA-N 0 0 340.445 1.555 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1Cl ZINC000175956130 207176538 /nfs/dbraw/zinc/17/65/38/207176538.db2.gz OEMKJLKQYCTJRX-LBPRGKRZSA-N 0 0 348.794 1.948 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000176153932 207196004 /nfs/dbraw/zinc/19/60/04/207196004.db2.gz WSKGTRKGCQEBPQ-MSOLQXFVSA-N 0 0 349.450 1.627 10 0 EDAERN CCN(CC)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000176287908 207211986 /nfs/dbraw/zinc/21/19/86/207211986.db2.gz RCERGPVJKQKVCT-OAHLLOKOSA-N 0 0 346.431 1.911 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2cc(F)ccc2s1 ZINC000176443348 207228016 /nfs/dbraw/zinc/22/80/16/207228016.db2.gz XGFXAFCIAWODGC-CYBMUJFWSA-N 0 0 338.404 1.463 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCC(=O)OC(C)(C)C ZINC000176461809 207229424 /nfs/dbraw/zinc/22/94/24/207229424.db2.gz QHWXQJNLINRBRU-NSHDSACASA-N 0 0 337.424 1.706 10 0 EDAERN COC[C@@H](C)C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000176519830 207235229 /nfs/dbraw/zinc/23/52/29/207235229.db2.gz DPOGEZQSMCDJAD-ZIAGYGMSSA-N 0 0 326.462 1.862 10 0 EDAERN CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177394234 207330118 /nfs/dbraw/zinc/33/01/18/207330118.db2.gz SFZGVLDTHAGVTA-CQSZACIVSA-N 0 0 349.406 1.860 10 0 EDAERN O=C(Nc1ccc2scnc2c1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177394503 207330193 /nfs/dbraw/zinc/33/01/93/207330193.db2.gz DBVAVQNDZOZMNH-CYBMUJFWSA-N 0 0 344.440 1.932 10 0 EDAERN O=C(Nc1ccc2ncccc2c1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177395787 207330702 /nfs/dbraw/zinc/33/07/02/207330702.db2.gz NRVVSNJXOLWAON-MRXNPFEDSA-N 0 0 338.411 1.870 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)SC[C@@H](O)CO ZINC000177419976 207334166 /nfs/dbraw/zinc/33/41/66/207334166.db2.gz JMOMNWMAZJEXLM-HIFRSBDPSA-N 0 0 349.456 1.903 10 0 EDAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000177502251 207345524 /nfs/dbraw/zinc/34/55/24/207345524.db2.gz RNDZKSTXFYWKRP-CYBMUJFWSA-N 0 0 341.375 1.452 10 0 EDAERN CCc1nnc(CN(C)CC(=O)Nc2cc(OC)cc(OC)c2)n1C ZINC000177457144 207340819 /nfs/dbraw/zinc/34/08/19/207340819.db2.gz XFMUJZNRPYYAFX-UHFFFAOYSA-N 0 0 347.419 1.465 10 0 EDAERN Cc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1S(C)(=O)=O ZINC000177615311 207362278 /nfs/dbraw/zinc/36/22/78/207362278.db2.gz QPBJSAXQTILQJJ-GFCCVEGCSA-N 0 0 334.401 1.255 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccnc(OCC(F)(F)F)c1 ZINC000177608558 207362604 /nfs/dbraw/zinc/36/26/04/207362604.db2.gz MLKJEIIFCKNODQ-JTQLQIEISA-N 0 0 341.293 1.879 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@@H]1CC ZINC000177618748 207366108 /nfs/dbraw/zinc/36/61/08/207366108.db2.gz AMLKQYCCVGWEAH-HNNXBMFYSA-N 0 0 348.447 1.288 10 0 EDAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)NCCC(C)(C)C ZINC000177677886 207374155 /nfs/dbraw/zinc/37/41/55/207374155.db2.gz NUQGJUBMADHXGL-UHFFFAOYSA-N 0 0 329.466 1.931 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1COc2ccccc2C1 ZINC000177699060 207378913 /nfs/dbraw/zinc/37/89/13/207378913.db2.gz BGHHZJQYZGAWAZ-KGLIPLIRSA-N 0 0 342.399 1.627 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177739565 207386568 /nfs/dbraw/zinc/38/65/68/207386568.db2.gz GNEZJYHUKRDNPR-CQSZACIVSA-N 0 0 326.404 1.578 10 0 EDAERN COCCN1CCN(C(=O)c2ccncc2Br)C[C@@H]1C ZINC000155330465 532962503 /nfs/dbraw/zinc/96/25/03/532962503.db2.gz QSYRTTIYXAGUGI-NSHDSACASA-N 0 0 342.237 1.637 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@]1(O)CCOC1 ZINC000178912422 207551341 /nfs/dbraw/zinc/55/13/41/207551341.db2.gz IROFLBOSFNMDGL-JCKWVBRZSA-N 0 0 334.416 1.099 10 0 EDAERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@@H]1CCCC[C@@H]1CO ZINC000179243885 207596400 /nfs/dbraw/zinc/59/64/00/207596400.db2.gz JMXBELIEVZUCLK-ZIAGYGMSSA-N 0 0 331.416 1.846 10 0 EDAERN COc1cc(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)ccn1 ZINC000181424230 207931398 /nfs/dbraw/zinc/93/13/98/207931398.db2.gz DGTOKJMNGXYJPF-CYBMUJFWSA-N 0 0 344.419 1.619 10 0 EDAERN CN1CC[NH2+]C[C@@H]1c1noc(-c2csc(-c3cnccn3)n2)n1 ZINC000263234345 139329959 /nfs/dbraw/zinc/32/99/59/139329959.db2.gz NUPLUILLNASTAP-LLVKDONJSA-N 0 0 329.389 1.226 10 0 EDAERN C[C@@H](NC(=O)N1CC(CO)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000189634104 533111493 /nfs/dbraw/zinc/11/14/93/533111493.db2.gz TVOHZCYVBZFZHN-RDTXWAMCSA-N 0 0 348.443 1.946 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000187652782 533124559 /nfs/dbraw/zinc/12/45/59/533124559.db2.gz YIEKLYPSODHCAG-QGZVFWFLSA-N 0 0 328.372 1.499 10 0 EDAERN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000154165549 224212304 /nfs/dbraw/zinc/21/23/04/224212304.db2.gz BFEASANHGAYZKM-CVEARBPZSA-N 0 0 346.431 1.756 10 0 EDAERN O=C(CCCc1c[nH]c2ccccc12)NC[C@H](O)CN1CCOCC1 ZINC000154106800 224203198 /nfs/dbraw/zinc/20/31/98/224203198.db2.gz OGGQQEHNLOCYRV-INIZCTEOSA-N 0 0 345.443 1.300 10 0 EDAERN COc1ccc(/C=C\C(=O)N2CC(NC(=O)C3CCC3)C2)cc1O ZINC000492662618 255184851 /nfs/dbraw/zinc/18/48/51/255184851.db2.gz LPSVAVRNWIONKU-VURMDHGXSA-N 0 0 330.384 1.541 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2cc(F)ccc2C)CCN1CCOC ZINC000117372094 221059279 /nfs/dbraw/zinc/05/92/79/221059279.db2.gz OIGYVUSKGQCPGX-HNNXBMFYSA-N 0 0 344.452 1.865 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000117279364 221042631 /nfs/dbraw/zinc/04/26/31/221042631.db2.gz YVUAWMMGIRARJQ-AWEZNQCLSA-N 0 0 333.432 1.828 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(CC)cc2)C[C@H]1C ZINC000117521761 221072867 /nfs/dbraw/zinc/07/28/67/221072867.db2.gz NHONEMOZMHETSV-OAHLLOKOSA-N 0 0 347.459 1.757 10 0 EDAERN Cc1nnc(N2C[C@H](C(=O)N3CCCCO3)C[C@@H]3OCC[C@@H]32)s1 ZINC000248013775 257670132 /nfs/dbraw/zinc/67/01/32/257670132.db2.gz JRMBNJIEZKYCAO-AGIUHOORSA-N 0 0 338.433 1.384 10 0 EDAERN C[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)/C=C/c1ccccc1 ZINC000504568924 257712351 /nfs/dbraw/zinc/71/23/51/257712351.db2.gz CIVYHIHMVGPZMZ-KIUWMYQTSA-N 0 0 330.384 1.434 10 0 EDAERN COc1cc(N2CC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)ncn1 ZINC000503716670 257832145 /nfs/dbraw/zinc/83/21/45/257832145.db2.gz NBSXASJQCMUTPQ-YVEFUNNKSA-N 0 0 346.362 1.836 10 0 EDAERN COCCCCn1cnc(Cl)c(I)c1=O ZINC000166342647 533274406 /nfs/dbraw/zinc/27/44/06/533274406.db2.gz LEQJVGNNTGKWAU-UHFFFAOYSA-N 0 0 342.564 1.928 10 0 EDAERN COC(=O)C1CCC(C(=O)NCc2ccc(-n3cncn3)cc2)CC1 ZINC000179466833 533275099 /nfs/dbraw/zinc/27/50/99/533275099.db2.gz KAYBHUJHGLNCOL-UHFFFAOYSA-N 0 0 342.399 1.863 10 0 EDAERN Cc1ccc(N2C[C@@H](CNC(=O)c3ccncc3)OCC2=O)cc1 ZINC000041402462 132409211 /nfs/dbraw/zinc/40/92/11/132409211.db2.gz GNKALPXMIREALB-MRXNPFEDSA-N 0 0 325.368 1.552 10 0 EDAERN C[C@H](NC(=O)c1ccncc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000041248948 132409886 /nfs/dbraw/zinc/40/98/86/132409886.db2.gz JAMBWJVBEBQEAH-HNNXBMFYSA-N 0 0 338.411 1.549 10 0 EDAERN CN(C)C(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000044098048 132414528 /nfs/dbraw/zinc/41/45/28/132414528.db2.gz DCVQTZITVPCBHF-UHFFFAOYSA-N 0 0 342.403 1.813 10 0 EDAERN O=C(Nc1ccccc1N1CCNC(=O)C1)c1cc(C2CC2)on1 ZINC000049413000 132430914 /nfs/dbraw/zinc/43/09/14/132430914.db2.gz MUQSLTYJVNJEDM-UHFFFAOYSA-N 0 0 326.356 1.741 10 0 EDAERN CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](NC(N)=O)[C@@H](C)CC ZINC000271141205 140244628 /nfs/dbraw/zinc/24/46/28/140244628.db2.gz OZUAYZWYUKUHDZ-BBRMVZONSA-N 0 0 349.431 1.661 10 0 EDAERN C[C@H](CC(=O)N1CCC[C@H](Cc2nccn2C)C1)N1CCCCC1=O ZINC000328791390 140675571 /nfs/dbraw/zinc/67/55/71/140675571.db2.gz ZHRVVZJUDGTHLM-HZPDHXFCSA-N 0 0 346.475 1.992 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(=O)n(C)c3ccccc23)C[C@@]2(CCOC2)O1 ZINC000330105815 140802524 /nfs/dbraw/zinc/80/25/24/140802524.db2.gz JZJYVMLJTSGAHR-ORAYPTAESA-N 0 0 342.395 1.559 10 0 EDAERN O=C(CNC(=O)CC1CCCC1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333022180 141251256 /nfs/dbraw/zinc/25/12/56/141251256.db2.gz FJOCPSKZSHHLMF-CVEARBPZSA-N 0 0 349.475 1.590 10 0 EDAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000333203372 141280672 /nfs/dbraw/zinc/28/06/72/141280672.db2.gz BHEDXTUQEINVGQ-QKCSRTOESA-N 0 0 347.337 1.414 10 0 EDAERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1CCc2cccnc21 ZINC000333510513 141328921 /nfs/dbraw/zinc/32/89/21/141328921.db2.gz UFXLEHWCDUQBDQ-SOUVJXGZSA-N 0 0 341.390 1.635 10 0 EDAERN O=C1[C@@H](NS(=O)(=O)[C@@H]2CCCOC2)CCCN1C1CCCCC1 ZINC000333601244 141343291 /nfs/dbraw/zinc/34/32/91/141343291.db2.gz YPVRRMFGWIZZSG-CABCVRRESA-N 0 0 344.477 1.409 10 0 EDAERN CC(C)CCO[C@H]1CCN(C(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC000333621384 141346172 /nfs/dbraw/zinc/34/61/72/141346172.db2.gz YMMVOHFUFSKXEQ-AWEZNQCLSA-N 0 0 335.448 1.800 10 0 EDAERN O=C(N[C@@H]1CCC(=O)N[C@H]1c1ccccc1)N1CCC[C@](F)(CO)C1 ZINC000334128470 141452852 /nfs/dbraw/zinc/45/28/52/141452852.db2.gz RJMNVJPMDKOUGV-UWWQBHOKSA-N 0 0 349.406 1.512 10 0 EDAERN CCOCCONC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000186024292 286104663 /nfs/dbraw/zinc/10/46/63/286104663.db2.gz PNZHQBZRGQFEDF-ZDUSSCGKSA-N 0 0 337.424 1.819 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)ncn1 ZINC000156738070 286232227 /nfs/dbraw/zinc/23/22/27/286232227.db2.gz WOKLYDYGGUFTCO-ZDUSSCGKSA-N 0 0 326.356 1.618 10 0 EDAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N(CC)CC2CC2)C12CCOCC2 ZINC000248718704 286392259 /nfs/dbraw/zinc/39/22/59/286392259.db2.gz OCKWNXBJYQVLQL-LSDHHAIUSA-N 0 0 346.493 1.527 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)CN(C)C(=O)COC)C12CCCC2 ZINC000135586972 286457475 /nfs/dbraw/zinc/45/74/75/286457475.db2.gz MKFIIOOQNDKMOG-KGLIPLIRSA-N 0 0 326.437 1.287 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CCCC[C@H]2C(=O)OC)c1 ZINC000052307904 286572500 /nfs/dbraw/zinc/57/25/00/286572500.db2.gz ZJPAAVVQPFCGLE-INIZCTEOSA-N 0 0 334.416 1.729 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 ZINC000052531982 287222933 /nfs/dbraw/zinc/22/29/33/287222933.db2.gz PUVMREIQJKVLRB-KRWDZBQOSA-N 0 0 347.459 1.849 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000076253972 287281373 /nfs/dbraw/zinc/28/13/73/287281373.db2.gz PLHXEYFVCXUWQT-CQSZACIVSA-N 0 0 328.372 1.234 10 0 EDAERN CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000078988383 287296770 /nfs/dbraw/zinc/29/67/70/287296770.db2.gz NDFGKDNJQVHMOT-XNRPHZJLSA-N 0 0 334.416 2.000 10 0 EDAERN NC(=S)c1c(Br)cccc1N[C@H]1CCC(=O)NC1=O ZINC000168764697 226223644 /nfs/dbraw/zinc/22/36/44/226223644.db2.gz LHKZKQDRYYCBKE-QMMMGPOBSA-N 0 0 342.218 1.300 10 0 EDAERN O=C1Cc2cc([C@@H](O)[C@@H]3CCCCS3(=O)=O)c(Cl)cc2N1 ZINC000168921946 226228404 /nfs/dbraw/zinc/22/84/04/226228404.db2.gz WEKNOZCBNITGSS-GXTWGEPZSA-N 0 0 329.805 1.835 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000121281491 221805695 /nfs/dbraw/zinc/80/56/95/221805695.db2.gz UWSQMSYHCFTNDE-LBPRGKRZSA-N 0 0 325.315 1.030 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H]1CSC ZINC000121994560 221991396 /nfs/dbraw/zinc/99/13/96/221991396.db2.gz ILPPJHJYDCKKIU-VXGBXAGGSA-N 0 0 339.465 1.796 10 0 EDAERN C[C@@H](NC(=O)Nc1ccc(F)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000122704552 222142388 /nfs/dbraw/zinc/14/23/88/222142388.db2.gz VCRHSNMGJHTSIP-SECBINFHSA-N 0 0 338.364 1.751 10 0 EDAERN NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000172197875 227532652 /nfs/dbraw/zinc/53/26/52/227532652.db2.gz UHEDVSHBQANKLN-ZDUSSCGKSA-N 0 0 345.330 1.820 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)cn1 ZINC000172604764 227792073 /nfs/dbraw/zinc/79/20/73/227792073.db2.gz WMGQOMXNWKLNCI-OAHLLOKOSA-N 0 0 327.450 1.591 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000132275773 287522992 /nfs/dbraw/zinc/52/29/92/287522992.db2.gz FGQGZYVYOSBEEJ-SWLSCSKDSA-N 0 0 332.404 1.324 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000193378498 272991953 /nfs/dbraw/zinc/99/19/53/272991953.db2.gz NAYCCWIFYVVWFN-OAHLLOKOSA-N 0 0 327.494 1.747 10 0 EDAERN CC(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000029726619 267381424 /nfs/dbraw/zinc/38/14/24/267381424.db2.gz MBEQLORZRFWDFY-LLVKDONJSA-N 0 0 347.868 1.962 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCCOCCc1ccccc1)C(C)C ZINC000178424780 267562181 /nfs/dbraw/zinc/56/21/81/267562181.db2.gz ZWCDSFYVRQMCOV-MRXNPFEDSA-N 0 0 335.448 1.706 10 0 EDAERN CCOCCOc1c(Cl)cccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000194833058 267867761 /nfs/dbraw/zinc/86/77/61/267867761.db2.gz DEKIDTGDCRMHQV-JTQLQIEISA-N 0 0 326.780 1.830 10 0 EDAERN O=C(CCNC(=O)c1ccsc1)N1CCC[C@@H](n2cncn2)C1 ZINC000105853591 272920452 /nfs/dbraw/zinc/92/04/52/272920452.db2.gz ALZUYGJHXZLFDE-CYBMUJFWSA-N 0 0 333.417 1.323 10 0 EDAERN COc1ccc(CNC(=O)N[C@H](C)c2nnc3n2CCCC3)cc1O ZINC000153191058 272927500 /nfs/dbraw/zinc/92/75/00/272927500.db2.gz GYEGSIFOZLJEBE-LLVKDONJSA-N 0 0 345.403 1.889 10 0 EDAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000174137814 272935162 /nfs/dbraw/zinc/93/51/62/272935162.db2.gz IGUUYHYDLFZYSO-UONOGXRCSA-N 0 0 342.461 1.666 10 0 EDAERN C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)C(=O)NCc1ccco1 ZINC000106434661 274509128 /nfs/dbraw/zinc/50/91/28/274509128.db2.gz XQSBFLYMSLFHBT-WMLDXEAASA-N 0 0 343.427 1.573 10 0 EDAERN CC(C)c1nnc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1C ZINC000194643481 278098103 /nfs/dbraw/zinc/09/81/03/278098103.db2.gz VWFGHCIPSCOCBR-SFHVURJKSA-N 0 0 339.399 1.832 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000246709789 278143791 /nfs/dbraw/zinc/14/37/91/278143791.db2.gz NIWGDZKIWZNEDL-QKPAOTATSA-N 0 0 335.448 1.644 10 0 EDAERN Cc1cc(N2CC[C@H](N3CCC(c4ccnn4C)CC3)C2=O)n(C)n1 ZINC000173605415 278715615 /nfs/dbraw/zinc/71/56/15/278715615.db2.gz WHCOTMNWOKSIAG-INIZCTEOSA-N 0 0 342.447 1.447 10 0 EDAERN Cn1nc(Br)cc1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000192149038 279395781 /nfs/dbraw/zinc/39/57/81/279395781.db2.gz ZITREXYOFBNOLU-SSDOTTSWSA-N 0 0 325.170 1.039 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000027566017 279629513 /nfs/dbraw/zinc/62/95/13/279629513.db2.gz MELVCKNUSDTIJJ-CYBMUJFWSA-N 0 0 349.431 1.544 10 0 EDAERN Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)nc(C(F)(F)F)n1 ZINC000189902907 280336539 /nfs/dbraw/zinc/33/65/39/280336539.db2.gz ZIJYCNFPFISFER-NSHDSACASA-N 0 0 344.337 1.351 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000178251068 280809515 /nfs/dbraw/zinc/80/95/15/280809515.db2.gz SZGRKVCQZVPAIM-RFIQDPTOSA-N 0 0 341.481 1.540 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1Cl ZINC000177635068 280893206 /nfs/dbraw/zinc/89/32/06/280893206.db2.gz QYAXIFALGFVIJO-NSHDSACASA-N 0 0 333.779 1.310 10 0 EDAERN Cc1csc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000177979946 281720292 /nfs/dbraw/zinc/72/02/92/281720292.db2.gz UPYWYDJXPJBJMQ-GFCCVEGCSA-N 0 0 333.417 1.586 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)nn1C ZINC000192148706 293521480 /nfs/dbraw/zinc/52/14/80/293521480.db2.gz XGVBOEHHLPNYTD-MRVPVSSYSA-N 0 0 339.197 1.347 10 0 EDAERN NC(=O)[C@H]1COCCN1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000092228862 295159674 /nfs/dbraw/zinc/15/96/74/295159674.db2.gz YMPMEAKIFDKQPP-GFCCVEGCSA-N 0 0 345.321 1.220 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)o1 ZINC000245960900 301394404 /nfs/dbraw/zinc/39/44/04/301394404.db2.gz YDLKBOFUGRMAQA-RISCZKNCSA-N 0 0 328.434 1.238 10 0 EDAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(O)cc(Br)c2)C1 ZINC000529324652 305909275 /nfs/dbraw/zinc/90/92/75/305909275.db2.gz RISLLTHSFQZQCR-CMPLNLGQSA-N 0 0 330.178 1.377 10 0 EDAERN COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCO)cc1 ZINC000002999644 440886116 /nfs/dbraw/zinc/88/61/16/440886116.db2.gz KEUAWEIYRIKSMD-GHRIWEEISA-N 0 0 340.379 1.575 10 0 EDAERN CNC(=O)[C@H](Cc1ccccc1)NC(=O)NC1N=NC(=S)S1 ZINC000006379443 440989204 /nfs/dbraw/zinc/98/92/04/440989204.db2.gz RKWXKADYTDWZIJ-VIFPVBQESA-N 0 0 337.430 1.306 10 0 in-vivo EDAERN CC(C)(C)OC(=O)NCc1n[nH]c(CNC(=O)OC(C)(C)C)n1 ZINC000057218476 441099061 /nfs/dbraw/zinc/09/90/61/441099061.db2.gz LWGNGNXVCIWVER-UHFFFAOYSA-N 0 0 327.385 1.854 10 0 EDAERN COc1ccc(OCCCC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000046269606 441097301 /nfs/dbraw/zinc/09/73/01/441097301.db2.gz OQAFPSQSEAXSML-OAHLLOKOSA-N 0 0 336.432 1.691 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)NCCc1cn2ccccc2n1 ZINC000012666025 441137941 /nfs/dbraw/zinc/13/79/41/441137941.db2.gz IZIQZYYGXGMIJF-LBPRGKRZSA-N 0 0 326.356 1.405 10 0 EDAERN COCCNC(=O)Cn1cc(NC(=O)N[C@H](C)c2ccc(C)o2)cn1 ZINC000080159975 441147008 /nfs/dbraw/zinc/14/70/08/441147008.db2.gz UQKNEUGCJKALTK-GFCCVEGCSA-N 0 0 349.391 1.430 10 0 EDAERN O=C(Nc1cccc(F)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000013700293 441165459 /nfs/dbraw/zinc/16/54/59/441165459.db2.gz QBTVNDJDONTFOE-UHFFFAOYSA-N 0 0 341.350 1.618 10 0 EDAERN [NH3+]Cc1ccc(C(=O)Nc2cccc(C(=O)NCCC(=O)[O-])c2)cc1 ZINC000013730664 441166374 /nfs/dbraw/zinc/16/63/74/441166374.db2.gz NSQHTRUGYPFBRJ-UHFFFAOYSA-N 0 0 341.367 1.602 10 0 EDAERN O=C(NCCN1CCOCC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000013364141 441158231 /nfs/dbraw/zinc/15/82/31/441158231.db2.gz ORYFMTSXOPYPME-UHFFFAOYSA-N 0 0 336.779 1.452 10 0 EDAERN O=C(c1cc(Br)c[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000105569735 441260237 /nfs/dbraw/zinc/26/02/37/441260237.db2.gz ALDJWFWOMWUULK-NSHDSACASA-N 0 0 328.210 1.324 10 0 EDAERN COCCOc1cccc(C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000081579206 441292722 /nfs/dbraw/zinc/29/27/22/441292722.db2.gz RBODCQRPKBJVTD-HNNXBMFYSA-N 0 0 330.388 1.877 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000106397587 441338018 /nfs/dbraw/zinc/33/80/18/441338018.db2.gz MYNTXHPSRKCDIK-KRWDZBQOSA-N 0 0 330.428 1.273 10 0 EDAERN CCCN(CCC)C(=O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893335 441310267 /nfs/dbraw/zinc/31/02/67/441310267.db2.gz RBOHKKNUDJMFTM-QGZVFWFLSA-N 0 0 336.480 1.849 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000083566053 441363504 /nfs/dbraw/zinc/36/35/04/441363504.db2.gz UTHVFJGVSHKMGH-ZDUSSCGKSA-N 0 0 328.376 1.650 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCOCc1ccccc1 ZINC000083736485 441373021 /nfs/dbraw/zinc/37/30/21/441373021.db2.gz BPARGQRNICVMHS-OAHLLOKOSA-N 0 0 329.404 1.937 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccccn2)CC1 ZINC000083750395 441375134 /nfs/dbraw/zinc/37/51/34/441375134.db2.gz RUJZWYFXWXCEIQ-AWEZNQCLSA-N 0 0 341.419 1.348 10 0 EDAERN O=C(NCCNc1ncc(F)c(N2CCCC2)n1)c1cccnc1 ZINC000065451266 441436043 /nfs/dbraw/zinc/43/60/43/441436043.db2.gz KBRYJVVGFSCIRH-UHFFFAOYSA-N 0 0 330.367 1.453 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCc2cc(Br)cs2)C1 ZINC000107237224 441404623 /nfs/dbraw/zinc/40/46/23/441404623.db2.gz WZBQWYKELDNKKE-LLVKDONJSA-N 0 0 347.278 1.890 10 0 EDAERN CN1C[C@H](CNC(=O)Cc2ccc(Br)cc2)CC1=O ZINC000074863197 441474085 /nfs/dbraw/zinc/47/40/85/441474085.db2.gz GEVJMVVUVRHRDI-NSHDSACASA-N 0 0 325.206 1.586 10 0 EDAERN COCCN(CCOC)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000052931471 441487600 /nfs/dbraw/zinc/48/76/00/441487600.db2.gz BPJZGPSELQZDNU-AWEZNQCLSA-N 0 0 344.452 1.755 10 0 EDAERN COc1ccc(Br)c(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000110484303 441517966 /nfs/dbraw/zinc/51/79/66/441517966.db2.gz VONDSOFJRYWKFP-LLVKDONJSA-N 0 0 343.221 1.518 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccccc1CC ZINC000088817112 441524203 /nfs/dbraw/zinc/52/42/03/441524203.db2.gz ZERLIIYOBYUSEU-CQSZACIVSA-N 0 0 341.415 1.993 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 ZINC000110900567 441525602 /nfs/dbraw/zinc/52/56/02/441525602.db2.gz QYDIYJXGQIEWAK-CQSZACIVSA-N 0 0 343.431 1.643 10 0 EDAERN NC(=O)c1cnc(Nc2ccc3nsnc3c2)nc1NC1CC1 ZINC000088369183 441505812 /nfs/dbraw/zinc/50/58/12/441505812.db2.gz OMQTXRAOVUDBME-UHFFFAOYSA-N 0 0 327.373 1.898 10 0 EDAERN C[C@@H](NC(=O)N[C@@H](C)CCCO)c1ccc(S(C)(=O)=O)cc1 ZINC000088480739 441509257 /nfs/dbraw/zinc/50/92/57/441509257.db2.gz TVRAJMMBWFGJGY-NWDGAFQWSA-N 0 0 328.434 1.611 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112649208 441552264 /nfs/dbraw/zinc/55/22/64/441552264.db2.gz OXRKVGKTBAJEJT-VXGBXAGGSA-N 0 0 335.408 1.109 10 0 EDAERN O=C(NCCCCOCc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112747055 441557686 /nfs/dbraw/zinc/55/76/86/441557686.db2.gz QNRQTISWMFNCAN-INIZCTEOSA-N 0 0 343.431 1.889 10 0 EDAERN O=C(C(=O)N1CCN2CCCC[C@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000113806332 441624859 /nfs/dbraw/zinc/62/48/59/441624859.db2.gz DWCGVVZKHXDZKO-KRWDZBQOSA-N 0 0 338.411 1.752 10 0 EDAERN COCc1nn2c(nc(COC(=O)c3ccccc3C)cc2=O)s1 ZINC000041077315 441631377 /nfs/dbraw/zinc/63/13/77/441631377.db2.gz KKJCWBHWVCKOSC-UHFFFAOYSA-N 0 0 345.380 1.963 10 0 EDAERN COc1ccc(CCNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173285234 441702181 /nfs/dbraw/zinc/70/21/81/441702181.db2.gz LVNJJPODUSKVMH-HNNXBMFYSA-N 0 0 329.404 1.876 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccccc2)ncn1 ZINC000173290187 441704034 /nfs/dbraw/zinc/70/40/34/441704034.db2.gz DMIMKDIJVFPVFP-OAHLLOKOSA-N 0 0 340.431 1.987 10 0 EDAERN CNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)COCc2ccccc2)C1 ZINC000173341831 441719173 /nfs/dbraw/zinc/71/91/73/441719173.db2.gz RDWLQWAVFSONSZ-ZBFHGGJFSA-N 0 0 333.432 1.759 10 0 EDAERN Cn1cc([C@@H]2[C@H](C(=O)NCc3ccccc3)CCC(=O)N2C)cn1 ZINC000115201497 441716420 /nfs/dbraw/zinc/71/64/20/441716420.db2.gz YCGOCEZPWAAPBA-NVXWUHKLSA-N 0 0 326.400 1.646 10 0 EDAERN Cc1ccc(-c2cnc(CCC(=O)N3CCOC[C@@H]3C(N)=O)o2)cc1 ZINC000091780264 441741352 /nfs/dbraw/zinc/74/13/52/441741352.db2.gz FZOUCRGRTFJWHC-CQSZACIVSA-N 0 0 343.383 1.295 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)C12CCCC2 ZINC000173461728 441758422 /nfs/dbraw/zinc/75/84/22/441758422.db2.gz LDCYBXLVJOONEJ-KGLIPLIRSA-N 0 0 335.452 1.993 10 0 EDAERN CN(C)C(=O)c1ccc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)[nH]1 ZINC000121552469 441729715 /nfs/dbraw/zinc/72/97/15/441729715.db2.gz DTNRBTOCUCMDHL-UHFFFAOYSA-N 0 0 344.463 1.158 10 0 EDAERN CCN(C(=O)CN1CCO[C@H](c2nnc(C)[nH]2)C1)C1CCCCC1 ZINC000173662990 441818012 /nfs/dbraw/zinc/81/80/12/441818012.db2.gz NKMFFENHBQOAAT-HNNXBMFYSA-N 0 0 335.452 1.668 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000057024897 441774960 /nfs/dbraw/zinc/77/49/60/441774960.db2.gz QYDZJGJKYKDRSG-PBHICJAKSA-N 0 0 347.459 1.816 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(-n4cccn4)c3)CCO2)[nH]1 ZINC000173519436 441776949 /nfs/dbraw/zinc/77/69/49/441776949.db2.gz YKIUGMNBQIBVGX-OAHLLOKOSA-N 0 0 338.371 1.513 10 0 EDAERN CCC(CC)N1C[C@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1=O ZINC000173526566 441779024 /nfs/dbraw/zinc/77/90/24/441779024.db2.gz XZZDXRHFKPEDDG-OCCSQVGLSA-N 0 0 349.435 1.050 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)no3)CCO2)[nH]1 ZINC000173550528 441787509 /nfs/dbraw/zinc/78/75/09/441787509.db2.gz CIQPDEIGEFVJBT-HNNXBMFYSA-N 0 0 339.355 1.982 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cnc4onc(C)c4c3)CCO2)[nH]1 ZINC000173562298 441792492 /nfs/dbraw/zinc/79/24/92/441792492.db2.gz ZGKFNFCTSFPOSZ-GFCCVEGCSA-N 0 0 342.359 1.425 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)CSCc3ccccn3)CCO2)[nH]1 ZINC000173569225 441794182 /nfs/dbraw/zinc/79/41/82/441794182.db2.gz JUPGZXUGAIJTTD-ZDUSSCGKSA-N 0 0 347.444 1.595 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H](C)c3c(C)noc3C)CCO2)[nH]1 ZINC000173568634 441794325 /nfs/dbraw/zinc/79/43/25/441794325.db2.gz KAENDJRVHFJJME-CABZTGNLSA-N 0 0 333.392 1.676 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(OC)cc3)CCO2)[nH]1 ZINC000173573824 441794955 /nfs/dbraw/zinc/79/49/55/441794955.db2.gz RXHQTWFFYXASJF-CQSZACIVSA-N 0 0 330.388 1.518 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccnc(SC)c3)CCO2)[nH]1 ZINC000173572718 441795007 /nfs/dbraw/zinc/79/50/07/441795007.db2.gz AIEWECDUSWSEPB-LLVKDONJSA-N 0 0 333.417 1.698 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC000116124766 441795370 /nfs/dbraw/zinc/79/53/70/441795370.db2.gz VQHXIURNIUUBDT-CYBMUJFWSA-N 0 0 333.413 1.453 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159342493 441804548 /nfs/dbraw/zinc/80/45/48/441804548.db2.gz VUFZSTRAXAVQDO-LLVKDONJSA-N 0 0 339.421 1.300 10 0 EDAERN O=C(NCc1cccnc1N1CCOCC1)NC[C@@H]1CCCC[C@@H]1O ZINC000077772737 441857302 /nfs/dbraw/zinc/85/73/02/441857302.db2.gz OSVIVAIPKJCZMQ-HOCLYGCPSA-N 0 0 348.447 1.269 10 0 EDAERN C[C@H](C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)n1cncn1 ZINC000173925684 441863947 /nfs/dbraw/zinc/86/39/47/441863947.db2.gz MGVHTOLGPGTNRS-UPJWGTAASA-N 0 0 337.424 1.649 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n(C)n1 ZINC000093223394 441868036 /nfs/dbraw/zinc/86/80/36/441868036.db2.gz FPVMLGIKTJCXHY-SCLBCKFNSA-N 0 0 348.447 1.465 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NCC1(c2ccccc2)CC1 ZINC000173949917 441868457 /nfs/dbraw/zinc/86/84/57/441868457.db2.gz HXMWRSMSZJTPDN-SFHVURJKSA-N 0 0 343.471 1.241 10 0 EDAERN COCCN1CCN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000117294482 441868970 /nfs/dbraw/zinc/86/89/70/441868970.db2.gz LLPPEAKPVQWTTO-KUHUBIRLSA-N 0 0 346.427 1.337 10 0 EDAERN Cc1[nH]c(=S)sc1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173970021 441871593 /nfs/dbraw/zinc/87/15/93/441871593.db2.gz PMETXWNGGWSVKA-CMPLNLGQSA-N 0 0 341.502 1.836 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)N2CCN(CCOC)C(=O)C2)cc1 ZINC000093285228 441872445 /nfs/dbraw/zinc/87/24/45/441872445.db2.gz NGERHWDZGVHREO-AWEZNQCLSA-N 0 0 333.432 1.810 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@@H](O)COc3cccc(C)c3)CCO2)[nH]1 ZINC000173759693 441835383 /nfs/dbraw/zinc/83/53/83/441835383.db2.gz QMLASHQEECGSMJ-ZBFHGGJFSA-N 0 0 332.404 1.235 10 0 EDAERN C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122181861 441839415 /nfs/dbraw/zinc/83/94/15/441839415.db2.gz SUHYYFJUNRSPMP-HUUCEWRRSA-N 0 0 341.415 1.766 10 0 EDAERN COCCN1CCN(C(=O)NCc2nccn2C(F)F)C[C@@H]1C ZINC000117489742 441873948 /nfs/dbraw/zinc/87/39/48/441873948.db2.gz SIOOIPSFYFXCHO-NSHDSACASA-N 0 0 331.367 1.140 10 0 EDAERN Cc1cnn(CCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000122431161 441849856 /nfs/dbraw/zinc/84/98/56/441849856.db2.gz PMSSPURLOKEGDA-HNNXBMFYSA-N 0 0 328.420 1.499 10 0 EDAERN COCCN1CCN(C(=O)NCCCNc2ccc(C)cn2)C[C@H]1C ZINC000117479247 441874292 /nfs/dbraw/zinc/87/42/92/441874292.db2.gz DYJZZZYQZRMJQC-MRXNPFEDSA-N 0 0 349.479 1.554 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H]1N1CCOCC1 ZINC000173878898 441854813 /nfs/dbraw/zinc/85/48/13/441854813.db2.gz HDUNFKRWPGLMMO-CZUORRHYSA-N 0 0 342.399 1.529 10 0 EDAERN Cc1cccc(O[C@@H](C)CNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173896514 441857118 /nfs/dbraw/zinc/85/71/18/441857118.db2.gz JPHPLQRCIJLIGR-DLBZAZTESA-N 0 0 347.459 1.878 10 0 EDAERN Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118674335 441900738 /nfs/dbraw/zinc/90/07/38/441900738.db2.gz BJQWYQODWRBCMD-BXUZGUMPSA-N 0 0 329.404 1.970 10 0 EDAERN COC(=O)c1cn(-c2ccnn2C)c(C)c(Br)c1=O ZINC000148840243 441920517 /nfs/dbraw/zinc/92/05/17/441920517.db2.gz TXTKPDAPVJABHS-UHFFFAOYSA-N 0 0 326.150 1.429 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c1 ZINC000117817773 441879918 /nfs/dbraw/zinc/87/99/18/441879918.db2.gz XABJDCBNXYGSLL-GASCZTMLSA-N 0 0 343.431 1.630 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)o1 ZINC000117959951 441881883 /nfs/dbraw/zinc/88/18/83/441881883.db2.gz KLYQYKWEYIDCKV-AAEUAGOBSA-N 0 0 331.376 1.487 10 0 EDAERN CC(=O)Nc1cccc(OCCNC(=O)NCCn2cc(C)cn2)c1 ZINC000118071967 441885596 /nfs/dbraw/zinc/88/55/96/441885596.db2.gz QBGSJUPLXMTCNH-UHFFFAOYSA-N 0 0 345.403 1.528 10 0 EDAERN COc1ccccc1N1CCN(C(=O)NCCn2cc(C)cn2)CC1 ZINC000118078201 441885915 /nfs/dbraw/zinc/88/59/15/441885915.db2.gz PSOOALQEKJDOBQ-UHFFFAOYSA-N 0 0 343.431 1.732 10 0 EDAERN O=C(NCCc1ccc(Cl)nc1)N1CCC[C@@H](n2cncn2)C1 ZINC000119267731 441925653 /nfs/dbraw/zinc/92/56/53/441925653.db2.gz YGXALKJEQFDJGZ-CYBMUJFWSA-N 0 0 334.811 1.916 10 0 EDAERN CC(=O)Nc1cc(NC(=O)C(=O)NCCn2cc(C)cn2)ccc1F ZINC000118133531 441890948 /nfs/dbraw/zinc/89/09/48/441890948.db2.gz COWAKSNUFDKQNT-UHFFFAOYSA-N 0 0 347.350 1.044 10 0 EDAERN COc1cccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)c1OC ZINC000174142525 441892916 /nfs/dbraw/zinc/89/29/16/441892916.db2.gz NEHUJAMTQSHGPZ-CQSZACIVSA-N 0 0 345.403 1.842 10 0 EDAERN O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2Cl)C1 ZINC000146350281 441896189 /nfs/dbraw/zinc/89/61/89/441896189.db2.gz GCHUEJMUNYFYHN-UHFFFAOYSA-N 0 0 329.747 1.910 10 0 EDAERN C[C@H](CNC(=O)Nc1cnn(-c2ccccc2)c1)N1CCOCC1 ZINC000078031387 441896465 /nfs/dbraw/zinc/89/64/65/441896465.db2.gz BESHXXRLLCOPJT-CQSZACIVSA-N 0 0 329.404 1.715 10 0 EDAERN CCn1cc(C2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)CC2)cn1 ZINC000123810553 441900239 /nfs/dbraw/zinc/90/02/39/441900239.db2.gz KOAUTSCCDVXRCK-OAHLLOKOSA-N 0 0 348.447 1.104 10 0 EDAERN CN(C)c1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000125033427 441976574 /nfs/dbraw/zinc/97/65/74/441976574.db2.gz LAKYHGPTQKWKEQ-OAHLLOKOSA-N 0 0 325.416 1.941 10 0 EDAERN Cn1ncc(NCCCCn2cnnc2)c(Br)c1=O ZINC000078510532 441939664 /nfs/dbraw/zinc/93/96/64/441939664.db2.gz WQCLTUIWCBILOC-UHFFFAOYSA-N 0 0 327.186 1.027 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)COCc1ccccc1)CC2 ZINC000174633614 441946610 /nfs/dbraw/zinc/94/66/10/441946610.db2.gz YXMHINDXKWICLM-CJNGLKHVSA-N 0 0 343.431 1.806 10 0 EDAERN O=C(NCCOc1ccc(Cl)cn1)N[C@H]1CCCC[C@H]1CO ZINC000119772911 441949569 /nfs/dbraw/zinc/94/95/69/441949569.db2.gz WQXFTBRSQBWXTH-AAEUAGOBSA-N 0 0 327.812 1.964 10 0 EDAERN CN(C)c1cccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000125056021 441979313 /nfs/dbraw/zinc/97/93/13/441979313.db2.gz CBPLPLVPWSVUPV-OAHLLOKOSA-N 0 0 325.416 1.941 10 0 EDAERN C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000174986603 441991708 /nfs/dbraw/zinc/99/17/08/441991708.db2.gz UEUVGQUXNUBDNM-ZWNOBZJWSA-N 0 0 335.795 1.677 10 0 EDAERN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](C)COC)c1 ZINC000125212899 441998673 /nfs/dbraw/zinc/99/86/73/441998673.db2.gz CLZVMEJWCQGWGS-NEPJUHHUSA-N 0 0 328.434 1.984 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1nc(C)c(C)s1)CC2 ZINC000174959065 441989332 /nfs/dbraw/zinc/98/93/32/441989332.db2.gz QXDKKNFJSRRFFK-LLVKDONJSA-N 0 0 334.449 1.728 10 0 EDAERN C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1ccccc1F ZINC000175116663 442005826 /nfs/dbraw/zinc/00/58/26/442005826.db2.gz AISIDMBZUQIMIO-RYUDHWBXSA-N 0 0 333.367 1.499 10 0 EDAERN CC(=O)N1CC[C@H](CN(C)C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000120082832 442003818 /nfs/dbraw/zinc/00/38/18/442003818.db2.gz ASEJAQUPVOBTAQ-DZGCQCFKSA-N 0 0 346.431 1.523 10 0 EDAERN CCc1ccc([C@@H](COC)NC(=O)N[C@H]2CCc3ncnn3C2)o1 ZINC000175118291 442006891 /nfs/dbraw/zinc/00/68/91/442006891.db2.gz NDKAOPZWPOFUOF-WCQYABFASA-N 0 0 333.392 1.435 10 0 EDAERN C[C@@H](NC(=O)NCc1cccc2c1OCO2)c1nnc2n1CCCC2 ZINC000161818816 442035211 /nfs/dbraw/zinc/03/52/11/442035211.db2.gz KJKOJAKHHRYKCH-LLVKDONJSA-N 0 0 343.387 1.904 10 0 EDAERN CCn1cnnc1C1CCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000120247196 442035651 /nfs/dbraw/zinc/03/56/51/442035651.db2.gz OOGPPILLSUFYFD-UHFFFAOYSA-N 0 0 328.482 1.691 10 0 EDAERN CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)N1CCCC1 ZINC000096113044 442037383 /nfs/dbraw/zinc/03/73/83/442037383.db2.gz UWYJLDVVCPGNRI-JKSUJKDBSA-N 0 0 333.407 1.700 10 0 EDAERN Cc1cnn(-c2ccc(NC(=O)NC[C@@H]3CN(C)CCO3)cc2F)c1 ZINC000151594477 442089734 /nfs/dbraw/zinc/08/97/34/442089734.db2.gz ZZYFFZMEFRDOTK-CQSZACIVSA-N 0 0 347.394 1.772 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000125900155 442058671 /nfs/dbraw/zinc/05/86/71/442058671.db2.gz KWJKEVNAJVLFHX-CQSZACIVSA-N 0 0 339.403 1.833 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCOc3ccccc3C)CCO2)[nH]1 ZINC000175432291 442062614 /nfs/dbraw/zinc/06/26/14/442062614.db2.gz YETRLNWVTMDMJJ-OAHLLOKOSA-N 0 0 345.403 1.583 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)NC2(c3noc(CC)n3)CCCC2)C1 ZINC000151521220 442077536 /nfs/dbraw/zinc/07/75/36/442077536.db2.gz UPSORFMHMWIAMM-LBPRGKRZSA-N 0 0 334.420 1.776 10 0 EDAERN Cn1cnc(CNC(=O)[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000120477443 442079476 /nfs/dbraw/zinc/07/94/76/442079476.db2.gz LWNITXROLUUBSO-RYUDHWBXSA-N 0 0 337.424 1.515 10 0 EDAERN C[C@@H]1CN(C(=O)NCCCOC2CCCC2)C[C@@H]1N1CCOCC1 ZINC000175731710 442112596 /nfs/dbraw/zinc/11/25/96/442112596.db2.gz NWPITPUPTSLEPW-WBVHZDCISA-N 0 0 339.480 1.698 10 0 EDAERN COC[C@H](NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)c1ccco1 ZINC000175736906 442113215 /nfs/dbraw/zinc/11/32/15/442113215.db2.gz YTFFSNFWOUIWJF-GJZGRUSLSA-N 0 0 348.403 1.583 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc([C@H](C)O)cc1 ZINC000175736916 442113693 /nfs/dbraw/zinc/11/36/93/442113693.db2.gz NEQAGIQSQFTOTG-XHDPSFHLSA-N 0 0 329.404 1.974 10 0 EDAERN CCOC(=O)N[C@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)C(C)C ZINC000126660765 442131233 /nfs/dbraw/zinc/13/12/33/442131233.db2.gz CDPYEXFHHQVAIU-KGLIPLIRSA-N 0 0 337.424 1.287 10 0 EDAERN CCC[C@H](C(=O)NCCCS(=O)(=O)c1ccccc1)N(C)C ZINC000120777053 442131569 /nfs/dbraw/zinc/13/15/69/442131569.db2.gz PKYCJUKQUHZHBW-OAHLLOKOSA-N 0 0 326.462 1.697 10 0 EDAERN CCCCC[C@H](C)NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000151869496 442132369 /nfs/dbraw/zinc/13/23/69/442132369.db2.gz PRTATZLMQCFTEW-AWEZNQCLSA-N 0 0 345.451 1.925 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000126799701 442144174 /nfs/dbraw/zinc/14/41/74/442144174.db2.gz VPQVCPJJNOMCNN-CYBMUJFWSA-N 0 0 345.378 1.928 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)C[C@@H](C)O1 ZINC000120595542 442100431 /nfs/dbraw/zinc/10/04/31/442100431.db2.gz XLEHZSGZVGHKAT-VXGBXAGGSA-N 0 0 336.436 1.583 10 0 EDAERN CCOc1ccccc1CN(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000079987680 442104093 /nfs/dbraw/zinc/10/40/93/442104093.db2.gz AJSLADIBVXVTOY-HNNXBMFYSA-N 0 0 335.448 1.947 10 0 EDAERN C[C@H]1CN(C(=O)NCCSC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000175693686 442107323 /nfs/dbraw/zinc/10/73/23/442107323.db2.gz FLWRFYKSRNAFDW-WDEREUQCSA-N 0 0 341.399 1.602 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccccc2NCc2cccnc2)C1 ZINC000176124570 442179296 /nfs/dbraw/zinc/17/92/96/442179296.db2.gz QVGFINMDIGEDMH-MRXNPFEDSA-N 0 0 340.427 1.754 10 0 EDAERN O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1CCC[C@H]1CO ZINC000120969321 442159228 /nfs/dbraw/zinc/15/92/28/442159228.db2.gz AJHYEXIRXGMOKB-JTQLQIEISA-N 0 0 330.356 1.923 10 0 EDAERN O=C(Nc1ccccc1N1CCCCC1)C(=O)N1CCC[C@H]1CO ZINC000120971289 442159474 /nfs/dbraw/zinc/15/94/74/442159474.db2.gz WIEPQHVHYYPGFN-AWEZNQCLSA-N 0 0 331.416 1.599 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000166710030 442217450 /nfs/dbraw/zinc/21/74/50/442217450.db2.gz LUDBVAALCSKYJU-NSHDSACASA-N 0 0 327.743 1.155 10 0 EDAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NCc1ccccc1F ZINC000152569597 442227197 /nfs/dbraw/zinc/22/71/97/442227197.db2.gz FVYHGJSSEMSPDP-INIZCTEOSA-N 0 0 329.375 1.990 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3n[nH]nc3C2)cc1OC ZINC000170240256 442229993 /nfs/dbraw/zinc/22/99/93/442229993.db2.gz WSGRAXJLDOVDCI-ZYHUDNBSSA-N 0 0 330.388 1.804 10 0 EDAERN Cc1nc(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cs1 ZINC000170525125 442232521 /nfs/dbraw/zinc/23/25/21/442232521.db2.gz LTZVCNGYTZORNU-VIFPVBQESA-N 0 0 329.381 1.752 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1ccc(F)c(F)c1 ZINC000176576920 442236248 /nfs/dbraw/zinc/23/62/48/442236248.db2.gz NHMBHJMLWUYHNE-QHCPKHFHSA-N 0 0 343.359 1.420 10 0 EDAERN CCCOCCOC(=O)c1ccnc(N[C@H]2CCc3ncnn3C2)c1 ZINC000176633770 442242598 /nfs/dbraw/zinc/24/25/98/442242598.db2.gz SPVIMVDTUADYRX-AWEZNQCLSA-N 0 0 345.403 1.683 10 0 EDAERN COCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000170668150 442246188 /nfs/dbraw/zinc/24/61/88/442246188.db2.gz YMTVIKJTKGIMHK-FZMZJTMJSA-N 0 0 342.417 1.117 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000170808182 442267131 /nfs/dbraw/zinc/26/71/31/442267131.db2.gz ZZCJIKNXEXJBPG-XYHOJCAOSA-N 0 0 336.413 1.326 10 0 EDAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)C1(C)C ZINC000153208248 442268382 /nfs/dbraw/zinc/26/83/82/442268382.db2.gz KJPAYZXNARUDCW-YESZJQIVSA-N 0 0 347.459 1.979 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(F)c2)C1 ZINC000153274717 442272171 /nfs/dbraw/zinc/27/21/71/442272171.db2.gz GKOJGERJCCUDCT-AWEZNQCLSA-N 0 0 349.406 1.980 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1F ZINC000176996268 442282322 /nfs/dbraw/zinc/28/23/22/442282322.db2.gz IRVUIYBGNLUXEV-XJKSGUPXSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1N1CCOCC1 ZINC000176997350 442282663 /nfs/dbraw/zinc/28/26/63/442282663.db2.gz CMZHLXXQNFTXMK-YPMHNXCESA-N 0 0 345.852 1.076 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000176997136 442282894 /nfs/dbraw/zinc/28/28/94/442282894.db2.gz KVCDEJACPCYVIZ-WFASDCNBSA-N 0 0 328.409 1.167 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCOc2ccc3ccccc3c2)C1 ZINC000170924757 442290090 /nfs/dbraw/zinc/29/00/90/442290090.db2.gz XSSXASRZNSFDPV-GOSISDBHSA-N 0 0 343.427 1.848 10 0 EDAERN CC(=O)Nc1cccc2c1CCN(C(=O)NC[C@H]1CN(C)CCO1)C2 ZINC000170924384 442290219 /nfs/dbraw/zinc/29/02/19/442290219.db2.gz WQDMIGSZNVVFCW-HNNXBMFYSA-N 0 0 346.431 1.043 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCCN(c3ccccc3)CC2)C1 ZINC000170924444 442290333 /nfs/dbraw/zinc/29/03/33/442290333.db2.gz IWVFVLZSPXACPE-QGZVFWFLSA-N 0 0 332.448 1.239 10 0 EDAERN CS(=O)(=O)c1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000171510827 442354011 /nfs/dbraw/zinc/35/40/11/442354011.db2.gz LBCCSOAEECFSNT-AWEZNQCLSA-N 0 0 337.445 1.792 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CNC(=O)CC(C)(C)C)C2)no1 ZINC000171334787 442341687 /nfs/dbraw/zinc/34/16/87/442341687.db2.gz BFRNUSLPOGAZKD-ZDUSSCGKSA-N 0 0 336.436 1.712 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171433221 442348122 /nfs/dbraw/zinc/34/81/22/442348122.db2.gz LHASFFSTOXCVES-OAHLLOKOSA-N 0 0 349.412 1.733 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000171461527 442350893 /nfs/dbraw/zinc/35/08/93/442350893.db2.gz NZKJTJRZEPBWPX-RRFJBIMHSA-N 0 0 348.443 1.835 10 0 EDAERN Cc1cccc(CNC(=O)N2CCC(Nc3cccnn3)CC2)n1 ZINC000153858208 442307172 /nfs/dbraw/zinc/30/71/72/442307172.db2.gz GPVJBGRVLVEDTP-UHFFFAOYSA-N 0 0 326.404 1.966 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000154042760 442318372 /nfs/dbraw/zinc/31/83/72/442318372.db2.gz UDGGAFXJGDSORV-ZDUSSCGKSA-N 0 0 345.407 1.077 10 0 EDAERN O=C(Nc1cccc2ccccc21)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177626913 442364465 /nfs/dbraw/zinc/36/44/65/442364465.db2.gz ZPZPTVXGLKWQJB-ZDUSSCGKSA-N 0 0 335.367 1.501 10 0 EDAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000177724299 442376020 /nfs/dbraw/zinc/37/60/20/442376020.db2.gz YCFRCOGRJDDGMR-NWANDNLSSA-N 0 0 347.463 1.822 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3ccc(F)cc3)CCO2)c1 ZINC000171837153 442384353 /nfs/dbraw/zinc/38/43/53/442384353.db2.gz BVCCDUVLJPPGDZ-KRWDZBQOSA-N 0 0 346.406 1.984 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3ccccn3)CCO2)n1 ZINC000171896310 442387940 /nfs/dbraw/zinc/38/79/40/442387940.db2.gz GAVCIXMZLWXXIO-INIZCTEOSA-N 0 0 329.404 1.506 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](C)c3ccccn3)CCO2)[nH]1 ZINC000177870374 442392165 /nfs/dbraw/zinc/39/21/65/442392165.db2.gz HGGDCJVNJWUIJO-YPMHNXCESA-N 0 0 330.392 1.606 10 0 EDAERN Brc1ccc(CN2CCO[C@H](Cn3cccn3)C2)nc1 ZINC000171960744 442393514 /nfs/dbraw/zinc/39/35/14/442393514.db2.gz YHGLDOYZCCSNSP-AWEZNQCLSA-N 0 0 337.221 1.942 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3ccsc3)CCO2)[nH]1 ZINC000177936118 442396678 /nfs/dbraw/zinc/39/66/78/442396678.db2.gz YEGBYDOPYIXFEA-GFCCVEGCSA-N 0 0 335.433 1.754 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccn1Cc1cccs1 ZINC000172002375 442397592 /nfs/dbraw/zinc/39/75/92/442397592.db2.gz DJDNKKUVZOOKMH-GFCCVEGCSA-N 0 0 327.413 1.934 10 0 EDAERN COc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000177973727 442398563 /nfs/dbraw/zinc/39/85/63/442398563.db2.gz GKIUWBXOGPMFEW-HNNXBMFYSA-N 0 0 342.399 1.830 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1 ZINC000155496294 442402300 /nfs/dbraw/zinc/40/23/00/442402300.db2.gz RLFKOYFUJYFHQU-AWEZNQCLSA-N 0 0 348.334 1.689 10 0 EDAERN Cc1noc([C@H](C)N2CCN(c3nc(C)nc4c3cnn4C)CC2)n1 ZINC000171544845 442355964 /nfs/dbraw/zinc/35/59/64/442355964.db2.gz CKOPKBDWIWLNHZ-JTQLQIEISA-N 0 0 342.407 1.246 10 0 EDAERN CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000154826519 442359108 /nfs/dbraw/zinc/35/91/08/442359108.db2.gz UESXXCQGBCDVOU-CVEARBPZSA-N 0 0 342.443 1.919 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)CC3CCOCC3)CCCC2)no1 ZINC000177607037 442361768 /nfs/dbraw/zinc/36/17/68/442361768.db2.gz KXCZIPQXZGQAJG-UHFFFAOYSA-N 0 0 343.449 1.747 10 0 EDAERN Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000171618391 442363400 /nfs/dbraw/zinc/36/34/00/442363400.db2.gz NLBMVAISQIRXBZ-AEFFLSMTSA-N 0 0 341.459 1.971 10 0 EDAERN O=C(CCN1C(=O)CCc2ccccc21)N[C@H]1CCCn2ncnc21 ZINC000177618980 442363653 /nfs/dbraw/zinc/36/36/53/442363653.db2.gz BNYUIFOIMOQECD-AWEZNQCLSA-N 0 0 339.399 1.599 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000172104597 442410176 /nfs/dbraw/zinc/41/01/76/442410176.db2.gz YTBJQVVXZBJFKI-WFASDCNBSA-N 0 0 346.408 1.884 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000178139500 442410511 /nfs/dbraw/zinc/41/05/11/442410511.db2.gz YJGYMQADRPYOQQ-GWCFXTLKSA-N 0 0 331.821 1.797 10 0 EDAERN COc1ccc(C[C@H](C)CN(C)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000133345962 442413597 /nfs/dbraw/zinc/41/35/97/442413597.db2.gz YKTOKXKQPUPBOX-YJBOKZPZSA-N 0 0 349.475 1.846 10 0 EDAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000172173794 442419189 /nfs/dbraw/zinc/41/91/89/442419189.db2.gz NRWUBNHLMHASIL-CMUGJPQCSA-N 0 0 328.821 1.682 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)C(C)C ZINC000178428135 442433193 /nfs/dbraw/zinc/43/31/93/442433193.db2.gz UKPMADORNCERHD-MJBXVCDLSA-N 0 0 327.469 1.898 10 0 EDAERN CNC(=O)[C@H](NC(=O)N(C)Cc1nc2c(s1)CCCC2)C(C)C ZINC000178429883 442433358 /nfs/dbraw/zinc/43/33/58/442433358.db2.gz NJWSNMZMVSKHIT-CQSZACIVSA-N 0 0 338.477 1.934 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]c(=O)c3ccccc13)CC2 ZINC000191664826 442486761 /nfs/dbraw/zinc/48/67/61/442486761.db2.gz BGLBWPFGKRKEBX-LLVKDONJSA-N 0 0 337.383 1.427 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000172556696 442490060 /nfs/dbraw/zinc/49/00/60/442490060.db2.gz FTZRFTHIJVVPEY-CYBMUJFWSA-N 0 0 335.452 1.614 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000191700377 442492364 /nfs/dbraw/zinc/49/23/64/442492364.db2.gz MWWFZAIVMYCACR-QGZVFWFLSA-N 0 0 343.383 1.888 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000179723256 442494133 /nfs/dbraw/zinc/49/41/33/442494133.db2.gz HXLYTZILUNMIDE-GFCCVEGCSA-N 0 0 347.423 1.129 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191709709 442495419 /nfs/dbraw/zinc/49/54/19/442495419.db2.gz WZBLMPKJFQJCJC-HNNXBMFYSA-N 0 0 336.436 1.452 10 0 EDAERN Cc1cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c(C)n1Cc1ccco1 ZINC000179732669 442495688 /nfs/dbraw/zinc/49/56/88/442495688.db2.gz DYWCRSLGOAHLRU-MRXNPFEDSA-N 0 0 345.399 1.115 10 0 EDAERN COC(=O)c1coc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000186317523 442510670 /nfs/dbraw/zinc/51/06/70/442510670.db2.gz AFWBQUZPHGBZKP-UHFFFAOYSA-N 0 0 344.371 1.517 10 0 EDAERN CC(=O)c1ccc(OCCCC(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000191763323 442507360 /nfs/dbraw/zinc/50/73/60/442507360.db2.gz FBWIDCOYPLOPDN-CYBMUJFWSA-N 0 0 332.400 1.785 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)n1 ZINC000134322228 442468810 /nfs/dbraw/zinc/46/88/10/442468810.db2.gz AXOXSNZBQMEUPE-WCQYABFASA-N 0 0 344.419 1.426 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1)C1CCC1 ZINC000186177787 442478536 /nfs/dbraw/zinc/47/85/36/442478536.db2.gz MNOLZZNCLVRCMD-UHFFFAOYSA-N 0 0 348.468 1.855 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC[N@@H+]1C[C@@H](C)O ZINC000179643598 442484196 /nfs/dbraw/zinc/48/41/96/442484196.db2.gz XRNIMCWSGVTNNW-YPMHNXCESA-N 0 0 326.824 1.963 10 0 EDAERN C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000157181209 442558341 /nfs/dbraw/zinc/55/83/41/442558341.db2.gz ICCYGZXZDRELTN-SECBINFHSA-N 0 0 338.360 1.670 10 0 EDAERN COc1ccc(-n2nc(C(=O)NC[C@H]3CN(C)CCO3)cc2C)cc1 ZINC000180073083 442537160 /nfs/dbraw/zinc/53/71/60/442537160.db2.gz NNDFRWNZLMBFTH-INIZCTEOSA-N 0 0 344.415 1.250 10 0 EDAERN O=C(Cc1c(F)cccc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000172765541 442538323 /nfs/dbraw/zinc/53/83/23/442538323.db2.gz HIEJXWDZFNICEB-LBPRGKRZSA-N 0 0 326.799 1.955 10 0 EDAERN CCOC(=O)[C@@H](C)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191977050 442552270 /nfs/dbraw/zinc/55/22/70/442552270.db2.gz PWEFHNYESJWGRX-CYBMUJFWSA-N 0 0 328.453 1.676 10 0 EDAERN COC(=O)C1CCC(C(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000179907257 442517777 /nfs/dbraw/zinc/51/77/77/442517777.db2.gz GGYXLEYZGWWYOD-UHFFFAOYSA-N 0 0 346.427 1.984 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000178942388 442532335 /nfs/dbraw/zinc/53/23/35/442532335.db2.gz OIFIEBSBDNDJBM-OLZOCXBDSA-N 0 0 333.436 1.091 10 0 EDAERN COc1ccc(OCCCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172748650 442533085 /nfs/dbraw/zinc/53/30/85/442533085.db2.gz SYQOOQXRGPGJNZ-INIZCTEOSA-N 0 0 348.443 1.787 10 0 EDAERN CN1C(=O)C[C@H](C(=O)Nc2c[nH]c(C(N)=O)c2)[C@@H]1c1ccc(F)cc1 ZINC000179088255 442569604 /nfs/dbraw/zinc/56/96/04/442569604.db2.gz BAOVAZCKQZDBSG-WFASDCNBSA-N 0 0 344.346 1.411 10 0 EDAERN COCCN1C[C@@H](C(=O)N[C@H](C)COCc2ccccc2)CC1=O ZINC000172956911 442572711 /nfs/dbraw/zinc/57/27/11/442572711.db2.gz CBAIKOCKJKYVAH-ZBFHGGJFSA-N 0 0 334.416 1.203 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)CNC(=O)c1ccccn1 ZINC000172977761 442576128 /nfs/dbraw/zinc/57/61/28/442576128.db2.gz HTVXKJSTOTUJEF-AWEZNQCLSA-N 0 0 327.384 1.533 10 0 EDAERN COc1ccc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1F ZINC000135300381 442577085 /nfs/dbraw/zinc/57/70/85/442577085.db2.gz XBHURWSLARLOAZ-AWEZNQCLSA-N 0 0 344.390 1.952 10 0 EDAERN O=C(Nc1cnns1)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000192054628 442580231 /nfs/dbraw/zinc/58/02/31/442580231.db2.gz FXLZLUIZWOZKAA-VIFPVBQESA-N 0 0 344.318 1.766 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)CC1CCCCC1)c1nnc2n1CCCC2 ZINC000135334772 442581844 /nfs/dbraw/zinc/58/18/44/442581844.db2.gz INJONTBYUBVCSD-CYBMUJFWSA-N 0 0 347.463 1.878 10 0 EDAERN O=C1OCC[C@@]12CCCN2C[C@H](O)COCc1ccc(Cl)cc1 ZINC000186669219 442588064 /nfs/dbraw/zinc/58/80/64/442588064.db2.gz KXWSWTTYHPODEN-RDJZCZTQSA-N 0 0 339.819 1.999 10 0 EDAERN COCc1cccc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000179212420 442598098 /nfs/dbraw/zinc/59/80/98/442598098.db2.gz DQGFKWVXSMTMQL-UHFFFAOYSA-N 0 0 338.415 1.593 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C)CCO2)[nH]1 ZINC000180225685 442562222 /nfs/dbraw/zinc/56/22/22/442562222.db2.gz MOMJMAYLNAGHNF-CYBMUJFWSA-N 0 0 347.350 1.099 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H](COC)c1ccc(F)c(F)c1)C(C)C ZINC000180615537 442635383 /nfs/dbraw/zinc/63/53/83/442635383.db2.gz FBZQDOINNIIGEQ-ZIAGYGMSSA-N 0 0 343.374 1.722 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180579020 442626356 /nfs/dbraw/zinc/62/63/56/442626356.db2.gz UCEHSWNASVUVFR-SMDDNHRTSA-N 0 0 343.387 1.078 10 0 EDAERN NC(=O)Nc1cccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000135746958 442630684 /nfs/dbraw/zinc/63/06/84/442630684.db2.gz ZVXRGEKWWORLQS-HNNXBMFYSA-N 0 0 326.356 1.866 10 0 EDAERN Cc1nn(C)c(C)c1CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181617583 442706786 /nfs/dbraw/zinc/70/67/86/442706786.db2.gz PDEDIBAJLBTBMY-CYBMUJFWSA-N 0 0 345.451 1.566 10 0 EDAERN C[C@@H](NC(=O)NCCCOCCO)c1cccc(-n2ccnc2)c1 ZINC000181617456 442706818 /nfs/dbraw/zinc/70/68/18/442706818.db2.gz ZYMQYEGUMFONER-CQSZACIVSA-N 0 0 332.404 1.632 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(C)c3F)CCO2)[nH]1 ZINC000181332042 442690837 /nfs/dbraw/zinc/69/08/37/442690837.db2.gz CPCPPBCAWIRFLH-LLVKDONJSA-N 0 0 340.380 1.323 10 0 EDAERN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000181471832 442698973 /nfs/dbraw/zinc/69/89/73/442698973.db2.gz PCADHTZGMHIFGL-CZUORRHYSA-N 0 0 333.432 1.703 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2cccc(N(C)C)c2)n1 ZINC000188018277 442703599 /nfs/dbraw/zinc/70/35/99/442703599.db2.gz RRXCWZUCIBEGAZ-INIZCTEOSA-N 0 0 344.415 1.977 10 0 EDAERN CCc1cc(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)cc(=O)[nH]1 ZINC000181573099 442704509 /nfs/dbraw/zinc/70/45/09/442704509.db2.gz SWWVZSSDTKQTHP-LLVKDONJSA-N 0 0 337.420 1.970 10 0 EDAERN CC(C)c1csc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)n1 ZINC000193017088 442705708 /nfs/dbraw/zinc/70/57/08/442705708.db2.gz HVDIGRWPGJKJGA-ZYHUDNBSSA-N 0 0 325.434 1.872 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000136359685 442660843 /nfs/dbraw/zinc/66/08/43/442660843.db2.gz KKBOQZUJIMHLOB-HNNXBMFYSA-N 0 0 347.463 1.599 10 0 EDAERN O=S(=O)(CCN1CC[C@H](N2CCOCC2)C1)c1ccc(F)cc1 ZINC000192603120 442667156 /nfs/dbraw/zinc/66/71/56/442667156.db2.gz XHQRFOSUFBKXKT-HNNXBMFYSA-N 0 0 342.436 1.006 10 0 EDAERN COCCCOCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000180940146 442670638 /nfs/dbraw/zinc/67/06/38/442670638.db2.gz RAJALPIDCCAJEM-UHFFFAOYSA-N 0 0 333.388 1.530 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCCO1 ZINC000180991603 442673339 /nfs/dbraw/zinc/67/33/39/442673339.db2.gz NVNLOFCMRIOPJG-IAQYHMDHSA-N 0 0 328.372 1.699 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)sc1C ZINC000193172949 442720050 /nfs/dbraw/zinc/72/00/50/442720050.db2.gz FCGAGLADOUWSIJ-WBMJQRKESA-N 0 0 337.445 1.852 10 0 EDAERN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H](C(N)=O)C(C)C)n2)n1 ZINC000193189629 442721144 /nfs/dbraw/zinc/72/11/44/442721144.db2.gz WMGUVRMNQHDUBV-ZDUSSCGKSA-N 0 0 349.822 1.777 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000182047771 442731525 /nfs/dbraw/zinc/73/15/25/442731525.db2.gz ILUBWISBNGPQRA-VYDXJSESSA-N 0 0 347.459 1.649 10 0 EDAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000193322746 442733181 /nfs/dbraw/zinc/73/31/81/442733181.db2.gz WSQBJLLQIYGTLJ-UHFFFAOYSA-N 0 0 331.351 1.295 10 0 EDAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000182109877 442736771 /nfs/dbraw/zinc/73/67/71/442736771.db2.gz XODSFXPTZDSVLG-ZDUSSCGKSA-N 0 0 349.416 1.128 10 0 EDAERN Cc1cc(N2CCC[C@@H](N[C@H](C)c3nccnc3C)C2=O)n(C)n1 ZINC000188350103 442742066 /nfs/dbraw/zinc/74/20/66/442742066.db2.gz ZYPSYIMVXXTTAJ-ZIAGYGMSSA-N 0 0 328.420 1.673 10 0 EDAERN CCc1cc(=O)[nH]c(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000182188921 442743809 /nfs/dbraw/zinc/74/38/09/442743809.db2.gz MDKJFVCOKHTERX-NSHDSACASA-N 0 0 335.429 1.999 10 0 EDAERN CSC[C@](C)(O)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181710014 442711735 /nfs/dbraw/zinc/71/17/35/442711735.db2.gz ALFFXNNKWZOHAY-IAQYHMDHSA-N 0 0 341.481 1.130 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000193096101 442712686 /nfs/dbraw/zinc/71/26/86/442712686.db2.gz KTUUKOPEYWHIKZ-GFCCVEGCSA-N 0 0 336.823 1.679 10 0 EDAERN C[C@H](O)C[C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188118368 442713116 /nfs/dbraw/zinc/71/31/16/442713116.db2.gz RNEAADAFPZCOID-ZDEQEGDKSA-N 0 0 332.416 1.857 10 0 EDAERN CCCCN(C)S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181732973 442713397 /nfs/dbraw/zinc/71/33/97/442713397.db2.gz ZEJIEIUJFIKTTB-LBPRGKRZSA-N 0 0 329.470 1.283 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC[C@@H]1CCCCO1)CC2 ZINC000181746747 442714578 /nfs/dbraw/zinc/71/45/78/442714578.db2.gz YNCGQXKIMQGDGW-KBPBESRZSA-N 0 0 335.452 1.975 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CCC[C@](C)(O)C1 ZINC000188676871 442786778 /nfs/dbraw/zinc/78/67/78/442786778.db2.gz IZTGGGARZQVPMZ-OZVIIMIRSA-N 0 0 330.400 1.707 10 0 EDAERN CCn1c2ccc(F)cc2nc1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193797566 442787800 /nfs/dbraw/zinc/78/78/00/442787800.db2.gz DDVVLRYMVZDECC-BXUZGUMPSA-N 0 0 334.351 1.116 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)C(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000193867043 442801724 /nfs/dbraw/zinc/80/17/24/442801724.db2.gz ATOQJOQVGIAHCM-ZDUSSCGKSA-N 0 0 349.774 1.677 10 0 EDAERN Cc1ccc(C(=O)NCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1C ZINC000188505412 442757664 /nfs/dbraw/zinc/75/76/64/442757664.db2.gz IOZNPIXTBIDMHL-UHFFFAOYSA-N 0 0 343.427 1.160 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000188554965 442762864 /nfs/dbraw/zinc/76/28/64/442762864.db2.gz PJAOFEJIXLFWTF-GAJTVXKRSA-N 0 0 342.342 1.447 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000188622922 442772074 /nfs/dbraw/zinc/77/20/74/442772074.db2.gz OTJZGQKLYQUOCU-GDBMZVCRSA-N 0 0 339.457 1.923 10 0 EDAERN Cn1cnn(CC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1=O ZINC000182479379 442774268 /nfs/dbraw/zinc/77/42/68/442774268.db2.gz BMAKZNLBNFYGRH-AWEZNQCLSA-N 0 0 342.399 1.535 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCc3ncccc3C)CCO2)cn1 ZINC000188645958 442779005 /nfs/dbraw/zinc/77/90/05/442779005.db2.gz CEOXVFKFIKMFNZ-INIZCTEOSA-N 0 0 329.404 1.890 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)N[C@@H](C)[C@@H](C)OC)CC2)cn1 ZINC000188866787 442831520 /nfs/dbraw/zinc/83/15/20/442831520.db2.gz GANBFEQITKUGEW-LSDHHAIUSA-N 0 0 337.468 1.544 10 0 EDAERN O=S(=O)(C[C@@H]1CCOC1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000188872978 442832572 /nfs/dbraw/zinc/83/25/72/442832572.db2.gz CQVLIZVHBHFZKI-MRVWCRGKSA-N 0 0 331.459 1.122 10 0 EDAERN COc1ccc(CCCNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188817529 442820648 /nfs/dbraw/zinc/82/06/48/442820648.db2.gz PIWCZPAEVXNVJY-UHFFFAOYSA-N 0 0 345.443 1.938 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)C(C)C ZINC000188832885 442823519 /nfs/dbraw/zinc/82/35/19/442823519.db2.gz CQYZYFRLFKMYQK-VXGBXAGGSA-N 0 0 337.424 1.685 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(COc2ccccc2F)on1 ZINC000188930581 442843408 /nfs/dbraw/zinc/84/34/08/442843408.db2.gz YSCYSZJOZOUCOT-LLVKDONJSA-N 0 0 347.346 1.743 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1c(F)cc(Cl)cc1F ZINC000182899601 442844893 /nfs/dbraw/zinc/84/48/93/442844893.db2.gz PKHUWUJPESFYSQ-SNVBAGLBSA-N 0 0 349.765 1.433 10 0 EDAERN Cn1cccc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1=O ZINC000188994262 442856614 /nfs/dbraw/zinc/85/66/14/442856614.db2.gz HNVPSGOWUOVRRO-STQMWFEESA-N 0 0 333.413 1.687 10 0 EDAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000194195315 442860510 /nfs/dbraw/zinc/86/05/10/442860510.db2.gz ICIZIWRFFGCWDD-CYBMUJFWSA-N 0 0 337.387 1.616 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2CCO)C1 ZINC000189109545 442879077 /nfs/dbraw/zinc/87/90/77/442879077.db2.gz IWWRILBRDUQTCH-HZSPNIEDSA-N 0 0 326.437 1.911 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000189190862 442894608 /nfs/dbraw/zinc/89/46/08/442894608.db2.gz QIYCQFSNXKQXAD-GXTWGEPZSA-N 0 0 337.401 1.837 10 0 EDAERN CNS(=O)(=O)c1ccc([C@H](C)NCc2nnc(C3CC3)n2C)cc1 ZINC000181018182 318477947 /nfs/dbraw/zinc/47/79/47/318477947.db2.gz CHBNUEOJOAGLAX-NSHDSACASA-N 0 0 349.460 1.451 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000194157508 442853457 /nfs/dbraw/zinc/85/34/57/442853457.db2.gz GPGOHCIOYVPMCO-HNNXBMFYSA-N 0 0 332.404 1.184 10 0 EDAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189228610 442901556 /nfs/dbraw/zinc/90/15/56/442901556.db2.gz NOZNJSLNPMNVCS-UHFFFAOYSA-N 0 0 346.431 1.117 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](CCO)CC(C)C)CC1 ZINC000181881695 318491927 /nfs/dbraw/zinc/49/19/27/318491927.db2.gz ZKHCIKKYVURGJV-HZPDHXFCSA-N 0 0 329.485 1.129 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000189259008 442907221 /nfs/dbraw/zinc/90/72/21/442907221.db2.gz CGQOSCNQFTUNJY-MORSLUCNSA-N 0 0 345.443 1.446 10 0 EDAERN Cc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cnn1Cc1ccccc1 ZINC000189373914 442932237 /nfs/dbraw/zinc/93/22/37/442932237.db2.gz OFQBIUFUYXEOMG-UHFFFAOYSA-N 0 0 338.411 1.590 10 0 EDAERN Cc1nnc(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C1CC1 ZINC000183454730 442932834 /nfs/dbraw/zinc/93/28/34/442932834.db2.gz XHUKNAZIGFVAFQ-GFCCVEGCSA-N 0 0 349.435 1.795 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@@](C)(c2ccc(F)cc2F)C1=O ZINC000194693462 442938218 /nfs/dbraw/zinc/93/82/18/442938218.db2.gz QSNWAMXZUYNOOO-INIZCTEOSA-N 0 0 349.341 1.852 10 0 EDAERN Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCCNC(=O)[C@H]3C)C2=O)c1 ZINC000188085060 318558295 /nfs/dbraw/zinc/55/82/95/318558295.db2.gz BLNOGLZGWRVFCO-GDBMZVCRSA-N 0 0 343.427 1.393 10 0 EDAERN Cc1cc(C)cc(OCCNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188821524 318562664 /nfs/dbraw/zinc/56/26/64/318562664.db2.gz RWZYSRLOUUCUCJ-UHFFFAOYSA-N 0 0 345.443 1.992 10 0 EDAERN O=C(NC1CN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1)C1CC1 ZINC000189450590 442957024 /nfs/dbraw/zinc/95/70/24/442957024.db2.gz NONWJYVRQJYIKZ-HNNXBMFYSA-N 0 0 331.347 1.056 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@H](C)c2nnnn2C2CC2)CC1 ZINC000192004605 318576819 /nfs/dbraw/zinc/57/68/19/318576819.db2.gz QFCHETNGVLBEAK-CQSZACIVSA-N 0 0 344.467 1.237 10 0 EDAERN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)[C@H]1CNC(=O)C1 ZINC000194892538 442965896 /nfs/dbraw/zinc/96/58/96/442965896.db2.gz CSUWRMSUBKZPEX-MRXNPFEDSA-N 0 0 348.406 1.837 10 0 EDAERN CCC1CCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000189540558 442974845 /nfs/dbraw/zinc/97/48/45/442974845.db2.gz KGWGOSDNVDNPGM-UHFFFAOYSA-N 0 0 340.511 1.156 10 0 EDAERN CNC(=O)[C@H](NC(=O)N(C)[C@@H](COC)Cc1ccccc1)C(C)C ZINC000189554215 442977493 /nfs/dbraw/zinc/97/74/93/442977493.db2.gz CPRRCYMHOWYESB-HZPDHXFCSA-N 0 0 335.448 1.656 10 0 EDAERN O=C(OCC1CC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000189650620 442989243 /nfs/dbraw/zinc/98/92/43/442989243.db2.gz YWZNSARXKUZRMN-MRXNPFEDSA-N 0 0 334.416 1.591 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000249591622 442992835 /nfs/dbraw/zinc/99/28/35/442992835.db2.gz VOEGWONURUPTMV-SCLBCKFNSA-N 0 0 334.416 1.900 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000195177152 442993727 /nfs/dbraw/zinc/99/37/27/442993727.db2.gz LMMXNPPCMALDKH-LBPRGKRZSA-N 0 0 330.366 1.682 10 0 EDAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189430060 442950921 /nfs/dbraw/zinc/95/09/21/442950921.db2.gz MECIWEPVAAHITB-BDJLRTHQSA-N 0 0 341.411 1.632 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc2cccnc21 ZINC000194769279 442952377 /nfs/dbraw/zinc/95/23/77/442952377.db2.gz MYAOPTGDTHCJHG-CQSZACIVSA-N 0 0 330.388 1.049 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O ZINC000250061033 443010390 /nfs/dbraw/zinc/01/03/90/443010390.db2.gz MZJCODKCUSRSIE-DYEKYZERSA-N 0 0 332.404 1.309 10 0 EDAERN CCN1CN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1=O ZINC000190028763 443049426 /nfs/dbraw/zinc/04/94/26/443049426.db2.gz NHIZOHQRPAUOPJ-LBPRGKRZSA-N 0 0 329.322 1.991 10 0 EDAERN COc1ccccc1N1CC[C@@H](CNC(=O)N2CC(NC(C)=O)C2)C1 ZINC000189966082 443039680 /nfs/dbraw/zinc/03/96/80/443039680.db2.gz CLZOHZUIHGEIAF-AWEZNQCLSA-N 0 0 346.431 1.051 10 0 EDAERN C[C@H](c1nccs1)N1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000184586408 443044778 /nfs/dbraw/zinc/04/47/78/443044778.db2.gz OILDXXPEGVBKGH-KGLIPLIRSA-N 0 0 327.494 1.998 10 0 EDAERN O=C(/C=C\c1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000255161951 443088614 /nfs/dbraw/zinc/08/86/14/443088614.db2.gz XQWACTHMWVWREK-OLHLWXQYSA-N 0 0 337.423 1.973 10 0 EDAERN CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000223931081 443095619 /nfs/dbraw/zinc/09/56/19/443095619.db2.gz WORQPVUSIBPOEE-KWQFWETISA-N 0 0 329.194 1.517 10 0 EDAERN C[C@@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCOCC2)nc1 ZINC000224249958 443097662 /nfs/dbraw/zinc/09/76/62/443097662.db2.gz RWXGTVYBKUYLCV-CYBMUJFWSA-N 0 0 328.372 1.719 10 0 EDAERN CN1CCC[C@@H]1CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000253356327 443050271 /nfs/dbraw/zinc/05/02/71/443050271.db2.gz OYLKRPPQJNHTOT-OCCSQVGLSA-N 0 0 337.445 1.299 10 0 EDAERN CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1CO ZINC000253399284 443056610 /nfs/dbraw/zinc/05/66/10/443056610.db2.gz CTMISGPWYFNREL-WMLDXEAASA-N 0 0 329.400 1.056 10 0 EDAERN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@H](O)C[C@@H]1CO ZINC000184715953 443064906 /nfs/dbraw/zinc/06/49/06/443064906.db2.gz NFJZWRRQKMSUTQ-OPRDCNLKSA-N 0 0 333.215 1.748 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCCOC2CCCCC2)CC1 ZINC000184751254 443072048 /nfs/dbraw/zinc/07/20/48/443072048.db2.gz QTZSIPXNGOSOAO-MRXNPFEDSA-N 0 0 341.496 1.824 10 0 EDAERN Cc1ccc(C(=O)CCCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000184760932 443073518 /nfs/dbraw/zinc/07/35/18/443073518.db2.gz RAFLHDBWXYXPOC-KRWDZBQOSA-N 0 0 348.443 1.157 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)/C=C\c3cccnc3)C2=O)n(C)n1 ZINC000254970294 443079634 /nfs/dbraw/zinc/07/96/34/443079634.db2.gz CHZPEGMHXQRBOQ-ZPIQOJFGSA-N 0 0 339.399 1.449 10 0 EDAERN CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3n[nH]nc3c1)C2 ZINC000222872646 443082502 /nfs/dbraw/zinc/08/25/02/443082502.db2.gz PJNNWBAUJZTRGT-HNNXBMFYSA-N 0 0 326.360 1.254 10 0 EDAERN COCC(=O)NC1CN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000185092635 443134686 /nfs/dbraw/zinc/13/46/86/443134686.db2.gz DDXNKHDSDLJSNF-ZDUSSCGKSA-N 0 0 333.215 1.474 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NOC[C@@H]3CCOC3)C2)n1 ZINC000190434717 443108715 /nfs/dbraw/zinc/10/87/15/443108715.db2.gz OPZYZBQPMITSME-HUUCEWRRSA-N 0 0 337.424 1.285 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2csc(-c3ccccc3C)n2)C1 ZINC000185241263 443168121 /nfs/dbraw/zinc/16/81/21/443168121.db2.gz KPRCHIVFVJBCTJ-UHFFFAOYSA-N 0 0 345.424 1.706 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC1(CO)CCCC1)CC2 ZINC000185422423 443197345 /nfs/dbraw/zinc/19/73/45/443197345.db2.gz HUVXJUULBVDGPX-ZDUSSCGKSA-N 0 0 335.452 1.568 10 0 EDAERN CCOC(=O)c1csc(CCNC(=O)[C@H]2CCCO[C@H]2C)n1 ZINC000190843098 443194821 /nfs/dbraw/zinc/19/48/21/443194821.db2.gz IZRBTJJGGNQYGF-QWRGUYRKSA-N 0 0 326.418 1.794 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)s1 ZINC000190614151 443149215 /nfs/dbraw/zinc/14/92/15/443149215.db2.gz UOEZJZNNYXIWEC-LLVKDONJSA-N 0 0 348.432 1.585 10 0 EDAERN CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000259589154 443160539 /nfs/dbraw/zinc/16/05/39/443160539.db2.gz YIORKTMJCYVUTO-URLYPYJESA-N 0 0 338.157 1.748 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)C[C@H](C)O ZINC000245481313 443231423 /nfs/dbraw/zinc/23/14/23/443231423.db2.gz CGUXFOCRBMZWLD-QWHCGFSZSA-N 0 0 334.482 1.104 10 0 EDAERN CC(C)Cn1ncc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1C1CC1 ZINC000245545979 443235676 /nfs/dbraw/zinc/23/56/76/443235676.db2.gz USSCJFQBHNSZDP-CABCVRRESA-N 0 0 348.491 1.944 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000245552819 443236686 /nfs/dbraw/zinc/23/66/86/443236686.db2.gz QTHMWMYCUKFDRK-STQMWFEESA-N 0 0 346.493 1.653 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000185827491 443264755 /nfs/dbraw/zinc/26/47/55/443264755.db2.gz CWOZQWIYCBEFBT-UHFFFAOYSA-N 0 0 345.407 1.043 10 0 EDAERN O=C(NCCc1cccc(C(F)(F)F)n1)N1C[C@H](F)C[C@@H]1CO ZINC000458802088 320342044 /nfs/dbraw/zinc/34/20/44/320342044.db2.gz ORBGKHMSJOBJOY-MWLCHTKSSA-N 0 0 335.301 1.757 10 0 EDAERN CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N(C)[C@@H]2CCOC2)n1C ZINC000328637761 444407826 /nfs/dbraw/zinc/40/78/26/444407826.db2.gz OUAODOKDYFWHRV-GDBMZVCRSA-N 0 0 333.432 1.960 10 0 EDAERN CCN(Cc1nnc(C)o1)[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O ZINC000328642579 444410286 /nfs/dbraw/zinc/41/02/86/444410286.db2.gz RDGUTZYVHCZRKG-HUUCEWRRSA-N 0 0 335.408 1.050 10 0 EDAERN Cn1ccnc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)CCN1C ZINC000328615317 444394572 /nfs/dbraw/zinc/39/45/72/444394572.db2.gz ATHPZBLOHADTBJ-OAGGEKHMSA-N 0 0 325.416 1.434 10 0 EDAERN CCOc1ccc(C(=O)N2CCO[C@@H](c3nncn3CC)C2)cn1 ZINC000328619820 444396488 /nfs/dbraw/zinc/39/64/88/444396488.db2.gz GGKWHMAOUFCFEK-CYBMUJFWSA-N 0 0 331.376 1.305 10 0 EDAERN CN(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)cn1 ZINC000575603623 325754777 /nfs/dbraw/zinc/75/47/77/325754777.db2.gz LLITXOGOANRKGD-UONOGXRCSA-N 0 0 337.445 1.337 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)NCC[C@H]2CCCCO2)CCO1 ZINC000583614988 448440563 /nfs/dbraw/zinc/44/05/63/448440563.db2.gz MPURRNIITZPINE-ZIAGYGMSSA-N 0 0 337.424 1.340 10 0 EDAERN COc1cc(C)nc(N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 ZINC000583616826 448443672 /nfs/dbraw/zinc/44/36/72/448443672.db2.gz LJHVPAUQWTVLSZ-INIZCTEOSA-N 0 0 332.408 1.454 10 0 EDAERN Cc1ccccc1CN(C)C(=O)CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618018 448447042 /nfs/dbraw/zinc/44/70/42/448447042.db2.gz VBGWMJKCFYZMLX-GOSISDBHSA-N 0 0 343.431 1.055 10 0 EDAERN CCCOc1cccc(CC(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000583617852 448447605 /nfs/dbraw/zinc/44/76/05/448447605.db2.gz ZQWUHMQDCLLUMY-SFHVURJKSA-N 0 0 344.415 1.646 10 0 EDAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000583619070 448449750 /nfs/dbraw/zinc/44/97/50/448449750.db2.gz QEXQCRMCSNZGKW-MFKMUULPSA-N 0 0 330.392 1.019 10 0 EDAERN CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000583619110 448449826 /nfs/dbraw/zinc/44/98/26/448449826.db2.gz HULIHJLTVFLZRX-CQSZACIVSA-N 0 0 338.799 1.049 10 0 EDAERN Cc1cc([C@@H](C)NC(=O)N2CCO[C@H](c3nncn3C)C2)c(C)o1 ZINC000583622865 448453622 /nfs/dbraw/zinc/45/36/22/448453622.db2.gz KBPSRPJWORDSDR-RISCZKNCSA-N 0 0 333.392 1.869 10 0 EDAERN Nc1ncc(-c2ccsc2)nc1C(=O)N[C@H]1CCCCNC1=O ZINC000584662105 448590079 /nfs/dbraw/zinc/59/00/79/448590079.db2.gz PUAPUNKZMJTBDT-JTQLQIEISA-N 0 0 331.401 1.186 10 0 EDAERN Cc1c(Br)cccc1C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000619002753 450371939 /nfs/dbraw/zinc/37/19/39/450371939.db2.gz BBOOJAFRXHFSKB-SNVBAGLBSA-N 0 0 325.206 1.966 10 0 EDAERN CCOC(=O)c1cccc([C@H]2CCCCN(S(N)(=O)=O)C2)c1 ZINC000616631005 450456080 /nfs/dbraw/zinc/45/60/80/450456080.db2.gz OKDXHQCDGPOEDZ-AWEZNQCLSA-N 0 0 326.418 1.636 10 0 EDAERN Cn1cc(CCC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c2ccccc21 ZINC000630014118 450953774 /nfs/dbraw/zinc/95/37/74/450953774.db2.gz UODZRXQAHODHRR-IAGOWNOFSA-N 0 0 339.399 1.147 10 0 EDAERN Nc1nc([C@@H]2CCN(C(=O)C3(c4ccccc4F)CC3)C2)cc(=O)[nH]1 ZINC000630721890 451361698 /nfs/dbraw/zinc/36/16/98/451361698.db2.gz KRKMKYWWJIZOMA-LLVKDONJSA-N 0 0 342.374 1.951 10 0 EDAERN COc1ccc([C@H](C)NC(=O)N2C[C@@H](F)C[C@@H]2CO)c(OC)c1 ZINC000637411948 451839185 /nfs/dbraw/zinc/83/91/85/451839185.db2.gz YPBQVFJLEJBXHF-SDDRHHMPSA-N 0 0 326.368 1.879 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)NCCc1ccc2[nH]ccc2c1 ZINC000644463475 453489612 /nfs/dbraw/zinc/48/96/12/453489612.db2.gz RHQWAIBXVPVGHJ-MRXNPFEDSA-N 0 0 329.400 1.200 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCO1 ZINC000248458459 485696398 /nfs/dbraw/zinc/69/63/98/485696398.db2.gz USFKDLNNBQNGHI-PMPSAXMXSA-N 0 0 332.400 1.128 10 0 EDAERN Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1C ZINC000669496022 486269521 /nfs/dbraw/zinc/26/95/21/486269521.db2.gz LFACVQGQDIGXMF-RISCZKNCSA-N 0 0 329.404 1.062 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000124160942 491003539 /nfs/dbraw/zinc/00/35/39/491003539.db2.gz CJSGDYMACWTEIB-IHRRRGAJSA-N 0 0 335.408 1.011 10 0 EDAERN Cc1ccc(CC(=O)NC[C@H]2CN(C)CCO2)cc1Br ZINC000187615837 533754370 /nfs/dbraw/zinc/75/43/70/533754370.db2.gz FIMMLAHJDJFYAI-ZDUSSCGKSA-N 0 0 341.249 1.747 10 0 EDAERN COc1cccc2sc(C(=O)NC[C@H](C)[S@@](C)=O)c(N)c21 ZINC000166485790 533911646 /nfs/dbraw/zinc/91/16/46/533911646.db2.gz WTTZXXMPQFVKDT-PPRQPISWSA-N 0 0 326.443 1.989 10 0 EDAERN C[C@@H](C[S@@](C)=O)NS(=O)(=O)CCSc1ccc(N)cc1 ZINC000168685437 534219964 /nfs/dbraw/zinc/21/99/64/534219964.db2.gz WRGGFRGMHQQXBK-OVWNDWIMSA-N 0 0 336.504 1.047 10 0 EDAERN O=C(Nc1ccccc1Cl)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174009963 534389587 /nfs/dbraw/zinc/38/95/87/534389587.db2.gz VSIGGWZMLLSADS-LBPRGKRZSA-N 0 0 337.807 1.212 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H]1N1CCOCC1 ZINC000173958309 534408629 /nfs/dbraw/zinc/40/86/29/534408629.db2.gz SZBMUONHIMPOHY-ZBFHGGJFSA-N 0 0 341.415 1.060 10 0 EDAERN Cc1conc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186291903 534755101 /nfs/dbraw/zinc/75/51/01/534755101.db2.gz FNJHKHQIHXUSNU-RYUDHWBXSA-N 0 0 335.385 1.218 10 0 EDAERN CC(=O)N1CCC(NC(=O)CN2CCCc3c(N)cccc32)CC1 ZINC000261908075 534760665 /nfs/dbraw/zinc/76/06/65/534760665.db2.gz XLRKJCLXOQYCNV-UHFFFAOYSA-N 0 0 330.432 1.149 10 0 EDAERN CC(C)(C)OCc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000184481940 526559000 /nfs/dbraw/zinc/55/90/00/526559000.db2.gz WXZREQHEUVJLPL-CQSZACIVSA-N 0 0 348.403 1.727 10 0 EDAERN CC(=O)NC1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000190491524 526706541 /nfs/dbraw/zinc/70/65/41/526706541.db2.gz NSNGBSVRBFLRFT-UHFFFAOYSA-N 0 0 348.790 1.670 10 0 EDAERN CC(C)Oc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000190244254 528154879 /nfs/dbraw/zinc/15/48/79/528154879.db2.gz VYMKTZQHVUXCRF-UHFFFAOYSA-N 0 0 332.404 1.289 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCC(=O)Nc1ccccc1 ZINC000184405755 528475627 /nfs/dbraw/zinc/47/56/27/528475627.db2.gz FVUWDAPNEXXTJL-MRXNPFEDSA-N 0 0 333.432 1.632 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1nc3ccccn3n1)CC2 ZINC000184407468 528476515 /nfs/dbraw/zinc/47/65/15/528476515.db2.gz URCREEBNBCMRHD-NSHDSACASA-N 0 0 340.391 1.581 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCc1ccccc1O)CC2 ZINC000181754970 528478974 /nfs/dbraw/zinc/47/89/74/528478974.db2.gz SANQYFYIISXJIZ-CQSZACIVSA-N 0 0 343.431 1.964 10 0 EDAERN CC[C@@H]1CN(C(=O)Nc2nc3ccccn3n2)CCN1CCOC ZINC000184367841 529373670 /nfs/dbraw/zinc/37/36/70/529373670.db2.gz BBDHPJZKHRGIMP-CYBMUJFWSA-N 0 0 332.408 1.304 10 0 EDAERN CCOC(=O)C1CCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)CC1 ZINC000132850060 535600375 /nfs/dbraw/zinc/60/03/75/535600375.db2.gz QASLZSUKAGBNHX-ZDUSSCGKSA-N 0 0 349.435 1.660 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2CCCN(C(=O)CC)C2)C[C@@H]1C ZINC000247125029 535602284 /nfs/dbraw/zinc/60/22/84/535602284.db2.gz ODAZLYVJFYBHBL-HOTGVXAUSA-N 0 0 339.480 1.204 10 0 EDAERN CC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000193165631 535943009 /nfs/dbraw/zinc/94/30/09/535943009.db2.gz XPOOJMGHAQOJME-LYGAQUJYSA-N 0 0 337.326 1.820 10 0 EDAERN CCn1cc(CN(C)CC(=O)Nc2nnc(COC)s2)c(C)n1 ZINC000244788074 536045098 /nfs/dbraw/zinc/04/50/98/536045098.db2.gz QIVFTDPXMCCAOF-UHFFFAOYSA-N 0 0 338.437 1.280 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC000105816352 536299272 /nfs/dbraw/zinc/29/92/72/536299272.db2.gz WPOLQUMSWIVHDR-MRXNPFEDSA-N 0 0 348.447 1.490 10 0 EDAERN CNS(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1 ZINC000062368404 536303172 /nfs/dbraw/zinc/30/31/72/536303172.db2.gz REQBDVZGPBDDOO-UHFFFAOYSA-N 0 0 346.412 1.551 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCCOCC(F)F)[C@H]1c1ccccc1 ZINC000191382407 536308931 /nfs/dbraw/zinc/30/89/31/536308931.db2.gz SMDIAJFFQXGTPX-XJKSGUPXSA-N 0 0 340.370 1.994 10 0 EDAERN COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCS[C@@H](C)C2)cc1 ZINC000246130297 536697820 /nfs/dbraw/zinc/69/78/20/536697820.db2.gz MITBGAMSNFMSTA-QWHCGFSZSA-N 0 0 336.457 1.915 10 0 EDAERN COCCN1CCN(CC(=O)N[C@H](C)CCCC(C)C)C[C@@H]1C ZINC000247013803 536872579 /nfs/dbraw/zinc/87/25/79/536872579.db2.gz CGKPEMDMMSYSIN-SJORKVTESA-N 0 0 327.513 1.970 10 0 EDAERN O=C(c1ccc(F)c(Cl)c1F)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794120526 580876168 /nfs/dbraw/zinc/87/61/68/580876168.db2.gz QJODXDKVJJOISL-CQSZACIVSA-N 0 0 342.733 1.860 10 0 EDAERN Cc1ccc(C)c(OCC[N@H+]2CCC[C@@](O)(Cc3nncn3C)C2)c1 ZINC000888077080 590932294 /nfs/dbraw/zinc/93/22/94/590932294.db2.gz HYZDGKPVVVSJSN-LJQANCHMSA-N 0 0 344.459 1.880 10 0 EDAERN Cc1oc(C2CC2)nc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093561 591023772 /nfs/dbraw/zinc/02/37/72/591023772.db2.gz GPOZNRMEYMQRNI-QWHCGFSZSA-N 0 0 332.360 1.170 10 0 EDAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000102660534 591377459 /nfs/dbraw/zinc/37/74/59/591377459.db2.gz XHNXSUHYTHBQMU-MRVPVSSYSA-N 0 0 349.840 1.344 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc(=O)[nH][nH]1 ZINC000898865845 591569316 /nfs/dbraw/zinc/56/93/16/591569316.db2.gz AHOVISWVZKICBZ-ZJUUUORDSA-N 0 0 348.790 1.999 10 0 EDAERN C[C@@H](NC(=O)[C@H]1OCCN(C)C1=O)c1ccccc1Br ZINC000899965953 591847775 /nfs/dbraw/zinc/84/77/75/591847775.db2.gz YQQNFAYTXOPKDJ-BXKDBHETSA-N 0 0 341.205 1.484 10 0 EDAERN Cc1nnc(COC2CN(C(=O)C[C@@H]3OC(=O)c4ccccc43)C2)o1 ZINC000818661177 593710968 /nfs/dbraw/zinc/71/09/68/593710968.db2.gz ZGUFFJIVRVKAKY-AWEZNQCLSA-N 0 0 343.339 1.407 10 0 EDAERN COCC[C@H](C)NC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117042470 596228829 /nfs/dbraw/zinc/22/88/29/596228829.db2.gz REVFKJAAKBDOBE-RDJZCZTQSA-N 0 0 335.448 1.472 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000120189999 596310337 /nfs/dbraw/zinc/31/03/37/596310337.db2.gz BHACLWWNCWRFQB-JCQPUDPBSA-N 0 0 345.509 1.624 10 0 EDAERN Cn1nccc1C(=O)N1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000864860062 596393069 /nfs/dbraw/zinc/39/30/69/596393069.db2.gz XUVMCBKOMIKVFQ-LBPRGKRZSA-N 0 0 342.403 1.146 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3nc[nH]c3cc2F)cn1 ZINC000862921751 596450229 /nfs/dbraw/zinc/45/02/29/596450229.db2.gz DLYOJGFIZNHZOA-LSDHHAIUSA-N 0 0 345.334 1.012 10 0 EDAERN Cc1cc([C@H](C)NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c(C)s1 ZINC000126515801 597510992 /nfs/dbraw/zinc/51/09/92/597510992.db2.gz RMQDUZSXKXLITG-CMPLNLGQSA-N 0 0 330.475 1.319 10 0 EDAERN CC(C)COC(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2O)CC1 ZINC000130671550 597609233 /nfs/dbraw/zinc/60/92/33/597609233.db2.gz WYAJZLXWGIVWAP-LSDHHAIUSA-N 0 0 326.437 1.911 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000089387281 695423488 /nfs/dbraw/zinc/42/34/88/695423488.db2.gz BOAHXPLTFXTQLL-AWEZNQCLSA-N 0 0 334.482 1.066 10 0 EDAERN C#CCC(C)(C)COC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000180358022 698800978 /nfs/dbraw/zinc/80/09/78/698800978.db2.gz UOMPAUCKPLALFL-HOCLYGCPSA-N 0 0 331.416 1.922 10 0 EDAERN Cn1cc([C@H]2[C@@H](C(=O)OCCC[C@@H]3CCCO3)CCC(=O)N2C)cn1 ZINC000184426406 703189627 /nfs/dbraw/zinc/18/96/27/703189627.db2.gz BEQSZPROPDGGLF-ZOBUZTSGSA-N 0 0 349.431 1.832 10 0 EDAERN Cn1nccc1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000185855573 705647200 /nfs/dbraw/zinc/64/72/00/705647200.db2.gz MBINXVGGVGXWME-NVXWUHKLSA-N 0 0 344.390 1.438 10 0 EDAERN C[NH2+][C@@]1(C(=O)[O-])CC[C@H](n2cc(I)cn2)C1 ZINC000086627156 707548220 /nfs/dbraw/zinc/54/82/20/707548220.db2.gz BGUQQFWRMDDZKH-WPRPVWTQSA-N 0 0 335.145 1.256 10 0 EDAERN CC(=O)c1cc(Br)ccc1O[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000052067867 214115400 /nfs/dbraw/zinc/11/54/00/214115400.db2.gz GTWWXATVBYEXRI-JQWIXIFHSA-N 0 0 349.202 1.188 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173925563 231071763 /nfs/dbraw/zinc/07/17/63/231071763.db2.gz JCHXNZSWYLAYQV-JSGCOSHPSA-N 0 0 339.386 1.698 10 0 EDAERN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C=O)CC1)c1ccccc1 ZINC000062071667 214696605 /nfs/dbraw/zinc/69/66/05/214696605.db2.gz JHAZTMBGCKHLDV-HNNXBMFYSA-N 0 0 347.415 1.553 10 0 EDAERN CN(CC(=O)N1CCC(N2CCCNC2=O)CC1)Cc1ccccc1 ZINC000132380443 529826653 /nfs/dbraw/zinc/82/66/53/529826653.db2.gz ISCFONYOYFVOJH-UHFFFAOYSA-N 0 0 344.459 1.525 10 0 EDAERN CCCCS(=O)(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725271213 539402620 /nfs/dbraw/zinc/40/26/20/539402620.db2.gz ACRFZFWYRZGXOX-WCQYABFASA-N 0 0 346.522 1.655 10 0 EDAERN CCOCCOc1ccc(C(=O)NC(=S)N2CCOCC2)cc1 ZINC000009820586 201787774 /nfs/dbraw/zinc/78/77/74/201787774.db2.gz QYTQWPGLFZCHFQ-UHFFFAOYSA-N 0 0 338.429 1.449 10 0 EDAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000249468558 539700549 /nfs/dbraw/zinc/70/05/49/539700549.db2.gz RDZXRKSOSBEGGP-GDBMZVCRSA-N 0 0 338.473 1.558 10 0 EDAERN C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1cccc(Cl)c1 ZINC000153253308 539859522 /nfs/dbraw/zinc/85/95/22/539859522.db2.gz AFSFSCFHOZCGIW-VIFPVBQESA-N 0 0 343.774 1.973 10 0 EDAERN C/C=C\C[C@H](CO)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000588491764 539991463 /nfs/dbraw/zinc/99/14/63/539991463.db2.gz DWWMUGZHGSTBBW-OQOLFGLVSA-N 0 0 329.462 1.628 10 0 EDAERN COC(=O)CCCNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182201407 290994815 /nfs/dbraw/zinc/99/48/15/290994815.db2.gz KMOCZMFFZLVQLM-ZDUSSCGKSA-N 0 0 349.435 1.804 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245838530 535249579 /nfs/dbraw/zinc/24/95/79/535249579.db2.gz FHQWVUUQKWBFHE-ZDUSSCGKSA-N 0 0 330.454 1.609 10 0 EDAERN CC(C)[C@H]1N(C(=O)NCCN2CCOC(C)(C)C2)C[C@]12CCCO2 ZINC000333709350 535273737 /nfs/dbraw/zinc/27/37/37/535273737.db2.gz GDSUEFGNIICRRG-CRAIPNDOSA-N 0 0 339.480 1.696 10 0 EDAERN CC(C)(NC(=O)[C@H](N)CC(N)=O)c1ccc(Br)cc1 ZINC000037626843 202024813 /nfs/dbraw/zinc/02/48/13/202024813.db2.gz ZCISOVBVMJGPGU-SNVBAGLBSA-N 0 0 328.210 1.003 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CCC[C@@H](n3cncn3)C2)cc1O ZINC000183578241 235148059 /nfs/dbraw/zinc/14/80/59/235148059.db2.gz HPHQNAJNZTZUFZ-HZRUHFOJSA-N 0 0 328.372 1.869 10 0 EDAERN CCc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cc1CC ZINC000179812792 540119895 /nfs/dbraw/zinc/11/98/95/540119895.db2.gz SUPWPIOMNOCQKK-AWEZNQCLSA-N 0 0 347.459 1.587 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000189007560 540162004 /nfs/dbraw/zinc/16/20/04/540162004.db2.gz NELAEXANOKGBBZ-KZNAEPCWSA-N 0 0 330.428 1.510 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccn(C)c2C)ncn1 ZINC000195287224 540187457 /nfs/dbraw/zinc/18/74/57/540187457.db2.gz YRKPFJLNZDVVND-ZDUSSCGKSA-N 0 0 328.420 1.564 10 0 EDAERN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000184217585 235335326 /nfs/dbraw/zinc/33/53/26/235335326.db2.gz XSTBHDAVXKGXOL-XJKSGUPXSA-N 0 0 342.399 1.803 10 0 EDAERN COCCNC(=O)[C@H](C)Oc1ccc(Br)cc1C=O ZINC000020310675 202037763 /nfs/dbraw/zinc/03/77/63/202037763.db2.gz FYXNZENMHNWEDQ-VIFPVBQESA-N 0 0 330.178 1.792 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)o1 ZINC000073248250 138215676 /nfs/dbraw/zinc/21/56/76/138215676.db2.gz AKZFDXNYQTWNKE-SNVBAGLBSA-N 0 0 327.340 1.899 10 0 EDAERN COCC(=O)NC1CN(C(=O)C[C@H](C)c2ccc(F)cc2F)C1 ZINC000185243804 235623124 /nfs/dbraw/zinc/62/31/24/235623124.db2.gz QOLSBLXSYYCZGH-JTQLQIEISA-N 0 0 326.343 1.432 10 0 EDAERN CC(=O)Oc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000021127889 202062238 /nfs/dbraw/zinc/06/22/38/202062238.db2.gz BXLLLKYJKAUVRR-UHFFFAOYSA-N 0 0 338.319 1.847 10 0 EDAERN CCCN(CC1CC1)S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000122747403 283193557 /nfs/dbraw/zinc/19/35/57/283193557.db2.gz GVKUQFZCJLFUSO-HZPDHXFCSA-N 0 0 330.494 1.980 10 0 EDAERN CC(C)[C@H](C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000021872268 202072842 /nfs/dbraw/zinc/07/28/42/202072842.db2.gz LETZRCCYYXJWGI-AWEZNQCLSA-N 0 0 329.400 1.219 10 0 EDAERN COc1ccccc1OCC(=O)Nc1cccc2c1C(=O)N(C)C2=O ZINC000074854164 138239700 /nfs/dbraw/zinc/23/97/00/138239700.db2.gz VBLROYULOFLVIX-UHFFFAOYSA-N 0 0 340.335 1.939 10 0 EDAERN Cc1cn2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc2[nH+]1 ZINC000074859648 138239737 /nfs/dbraw/zinc/23/97/37/138239737.db2.gz RUXVAFSQQNOSMQ-UHFFFAOYSA-N 0 0 343.368 1.613 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)N1CCCCC1 ZINC000038103926 202106201 /nfs/dbraw/zinc/10/62/01/202106201.db2.gz AQWOCZVIKKXGBK-SNVBAGLBSA-N 0 0 331.825 1.414 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCn3nc(CC)nc32)C1 ZINC000088197523 138272107 /nfs/dbraw/zinc/27/21/07/138272107.db2.gz MOOKJLAZUTUYMW-CHWSQXEVSA-N 0 0 349.435 1.660 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)Cc1ccccc1 ZINC000081580488 138267191 /nfs/dbraw/zinc/26/71/91/138267191.db2.gz JZYCPYRJFUQSNB-OAHLLOKOSA-N 0 0 341.415 1.287 10 0 EDAERN CNC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1Cl ZINC000105278992 138301274 /nfs/dbraw/zinc/30/12/74/138301274.db2.gz QQHDCFUFIUIEDP-NSHDSACASA-N 0 0 340.811 1.152 10 0 EDAERN O=C(Nc1ccc2c(c1)COC2)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000092327583 138288036 /nfs/dbraw/zinc/28/80/36/138288036.db2.gz AGPVLTWKHGAVJY-HNAYVOBHSA-N 0 0 344.411 1.809 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CSCCS1)c1nnc2n1CCCC2 ZINC000120667878 138316252 /nfs/dbraw/zinc/31/62/52/138316252.db2.gz QYMVUPKPRAWZJW-QWRGUYRKSA-N 0 0 341.506 1.823 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(F)cc3)CC2)no1 ZINC000109923367 138306676 /nfs/dbraw/zinc/30/66/76/138306676.db2.gz FITTTXOYXTVRMG-UHFFFAOYSA-N 0 0 332.379 1.794 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(C)onc1CC ZINC000120937811 138316658 /nfs/dbraw/zinc/31/66/58/138316658.db2.gz SYYGMPXPJGCHOL-GFCCVEGCSA-N 0 0 329.422 1.688 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000027566948 202157981 /nfs/dbraw/zinc/15/79/81/202157981.db2.gz MFYYWYYBZHBNCF-QGZVFWFLSA-N 0 0 344.459 1.778 10 0 EDAERN O=C(CNC(=O)OCC(F)(F)F)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113894061 138309929 /nfs/dbraw/zinc/30/99/29/138309929.db2.gz ALXXBMPFKPTAPL-JTQLQIEISA-N 0 0 334.298 1.752 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CNC(=O)CC(C)(C)C)C2)n1 ZINC000116772591 138311845 /nfs/dbraw/zinc/31/18/45/138311845.db2.gz IZJHOMPHRFDHAI-HNNXBMFYSA-N 0 0 349.479 1.686 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121611368 138317631 /nfs/dbraw/zinc/31/76/31/138317631.db2.gz PKRJXFMKQHMOOX-ZBFHGGJFSA-N 0 0 331.478 1.745 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(OC)nc1C)CC2 ZINC000124167540 138324452 /nfs/dbraw/zinc/32/44/52/138324452.db2.gz GAEIWTLWRWCXAJ-NSHDSACASA-N 0 0 330.392 1.689 10 0 EDAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000131942293 138368333 /nfs/dbraw/zinc/36/83/33/138368333.db2.gz JFQHGTNQISRYGH-UHFFFAOYSA-N 0 0 348.353 1.824 10 0 EDAERN CCN1CCN(C(=O)c2sc3nc(C)n(C)c(=O)c3c2C)CC1 ZINC000031865630 202211313 /nfs/dbraw/zinc/21/13/13/202211313.db2.gz USOYCMCIINKGLG-UHFFFAOYSA-N 0 0 334.445 1.390 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000186315704 235875130 /nfs/dbraw/zinc/87/51/30/235875130.db2.gz BSKLVMJAFFUWNA-UHFFFAOYSA-N 0 0 346.431 1.049 10 0 EDAERN COC1(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCCCC1 ZINC000186821007 236032844 /nfs/dbraw/zinc/03/28/44/236032844.db2.gz IKXGLQIFTDKFCJ-OAHLLOKOSA-N 0 0 333.432 1.732 10 0 EDAERN COC1(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)CCCCC1 ZINC000186821027 236032985 /nfs/dbraw/zinc/03/29/85/236032985.db2.gz IKXGLQIFTDKFCJ-HNNXBMFYSA-N 0 0 333.432 1.732 10 0 EDAERN N=c1nc(N)n2c(n1)SCC(c1ccc(Br)cc1)=N2 ZINC000005513466 283278620 /nfs/dbraw/zinc/27/86/20/283278620.db2.gz BMUAUYVNAORHKL-UHFFFAOYSA-N 0 0 337.206 1.291 10 0 EDAERN C[C@@H](CC1CC1)NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000153139943 138490444 /nfs/dbraw/zinc/49/04/44/138490444.db2.gz KAGFVWWZYYWPIW-LBPRGKRZSA-N 0 0 329.408 1.145 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCOCC1CC1)CC2 ZINC000155566329 138540745 /nfs/dbraw/zinc/54/07/45/138540745.db2.gz PSMDFZKILMTLDF-CQSZACIVSA-N 0 0 335.452 1.832 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)/C=C/c3ccc[nH]3)CC2)n1 ZINC000187884654 236325959 /nfs/dbraw/zinc/32/59/59/236325959.db2.gz XIEZEANXYVUAJT-YBJDMEARSA-N 0 0 329.404 1.879 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000187918372 236340479 /nfs/dbraw/zinc/34/04/79/236340479.db2.gz YODOPAPKDRPODR-UHFFFAOYSA-N 0 0 348.346 1.605 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CC1 ZINC000187928191 236345253 /nfs/dbraw/zinc/34/52/53/236345253.db2.gz AVFNBUZGBZZFSM-UHFFFAOYSA-N 0 0 330.409 1.739 10 0 EDAERN C[C@@H](NC(=O)NCCCNc1ccccn1)c1nnc2n1CCCC2 ZINC000126818980 138612800 /nfs/dbraw/zinc/61/28/00/138612800.db2.gz GGMFSQFWGDGEMV-CYBMUJFWSA-N 0 0 343.435 1.872 10 0 EDAERN COCCc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n(C)n1 ZINC000128366011 138620639 /nfs/dbraw/zinc/62/06/39/138620639.db2.gz JYSCOEPWNPXHHP-CXAGYDPISA-N 0 0 336.436 1.768 10 0 EDAERN O=C1CN(c2ccc3nnc(C4CC4)n3n2)CCN1CC1CCCC1 ZINC000158397607 138632417 /nfs/dbraw/zinc/63/24/17/138632417.db2.gz WGVFMEIIGIEVHA-UHFFFAOYSA-N 0 0 340.431 1.841 10 0 EDAERN O=C(CN1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1)NC1CC1 ZINC000158818792 138634122 /nfs/dbraw/zinc/63/41/22/138634122.db2.gz LBCXGWIPZBOGAK-SJORKVTESA-N 0 0 333.476 1.626 10 0 EDAERN O=C(CN1C(=O)S/C(=C\c2cccc(O)c2)C1=O)N1CCOCC1 ZINC000033305217 202256370 /nfs/dbraw/zinc/25/63/70/202256370.db2.gz QZJGBEOOIXUAQC-LCYFTJDESA-N 0 0 348.380 1.287 10 0 EDAERN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C[C@H](O)C(C)C)C2)c1 ZINC000161890240 138644355 /nfs/dbraw/zinc/64/43/55/138644355.db2.gz HZBIXJQCKPVBPX-DYVFJYSZSA-N 0 0 336.432 1.806 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(-n2cncn2)nc1 ZINC000172960549 138668257 /nfs/dbraw/zinc/66/82/57/138668257.db2.gz NLHMFPSAXRXZJT-CQSZACIVSA-N 0 0 337.383 1.997 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCNC(=O)c3cccs3)C2)cn1 ZINC000172115910 138663084 /nfs/dbraw/zinc/66/30/84/138663084.db2.gz MEABDIWDDZVQCL-GFCCVEGCSA-N 0 0 347.444 1.411 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000174508397 138683890 /nfs/dbraw/zinc/68/38/90/138683890.db2.gz IHHRCPPPJCZGCJ-OCCSQVGLSA-N 0 0 346.431 1.712 10 0 EDAERN COCc1ccccc1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175369312 138694799 /nfs/dbraw/zinc/69/47/99/138694799.db2.gz BISSXEBJZOHXTM-OAHLLOKOSA-N 0 0 345.403 1.543 10 0 EDAERN Cc1cc(N2CC[C@@H](NC(=O)N[C@@H](C)c3ccc(C)o3)C2=O)n(C)n1 ZINC000175339587 138694332 /nfs/dbraw/zinc/69/43/32/138694332.db2.gz IHQWZFCZNKEHBB-QWHCGFSZSA-N 0 0 345.403 1.796 10 0 EDAERN CNC(=O)[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(C)C ZINC000178724343 138745081 /nfs/dbraw/zinc/74/50/81/138745081.db2.gz MRKLDHWLIGEPOI-CYBMUJFWSA-N 0 0 332.322 1.971 10 0 EDAERN C[C@H](NCc1nsc(N(C)C)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000181563500 138769514 /nfs/dbraw/zinc/76/95/14/138769514.db2.gz XWEGXPMLZQQBLS-VIFPVBQESA-N 0 0 341.462 1.102 10 0 EDAERN CSc1nnc(C(=O)N2CCN(c3cccc4[nH]cnc43)CC2)o1 ZINC000033886357 202269773 /nfs/dbraw/zinc/26/97/73/202269773.db2.gz CYPPPBJLTIMBNB-UHFFFAOYSA-N 0 0 344.400 1.630 10 0 EDAERN COC(=O)[C@@H](N)CCSCC(=O)Nc1ccccc1SC ZINC000069597973 202288340 /nfs/dbraw/zinc/28/83/40/202288340.db2.gz PPWCQBPLHXGWKR-JTQLQIEISA-N 0 0 328.459 1.971 10 0 EDAERN COCC1CCN(S(=O)(=O)c2cccc(C(N)=S)c2)CC1 ZINC000070084488 202306024 /nfs/dbraw/zinc/30/60/24/202306024.db2.gz CLORJKJGTDLERV-UHFFFAOYSA-N 0 0 328.459 1.368 10 0 EDAERN O=C([O-])C[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000035680266 202308056 /nfs/dbraw/zinc/30/80/56/202308056.db2.gz OSMOPPHGGYQNTK-UHFFFAOYSA-N 0 0 327.178 1.292 10 0 EDAERN CCNc1nc2nc(SCC(=O)OCC)nn2c(NCC)n1 ZINC000035682786 202308483 /nfs/dbraw/zinc/30/84/83/202308483.db2.gz ZAGKSVVNBKPAPF-UHFFFAOYSA-N 0 0 325.398 1.038 10 0 EDAERN CCOC(=O)CN(C)S(=O)(=O)CCSc1ccc(N)cc1 ZINC000070214618 202319629 /nfs/dbraw/zinc/31/96/29/202319629.db2.gz YMPNKDKMDFDAEV-UHFFFAOYSA-N 0 0 332.447 1.186 10 0 EDAERN COC1CCN(S(=O)(=O)c2cc(C(N)=S)ccc2C)CC1 ZINC000070431444 202333854 /nfs/dbraw/zinc/33/38/54/202333854.db2.gz XNRLPTBVUDQZDW-UHFFFAOYSA-N 0 0 328.459 1.429 10 0 EDAERN CC(C)[NH2+][C@@H](CCn1cc(I)cn1)C(=O)[O-] ZINC000070678685 202337393 /nfs/dbraw/zinc/33/73/93/202337393.db2.gz ZWJVNYHBPZDUBQ-VIFPVBQESA-N 0 0 337.161 1.329 10 0 EDAERN Cn1c(N)c(NCc2ccc(Br)s2)c(=O)[nH]c1=O ZINC000037987136 202384247 /nfs/dbraw/zinc/38/42/47/202384247.db2.gz UVBPVOVOYBQLEV-UHFFFAOYSA-N 0 0 331.195 1.092 10 0 EDAERN CCCNC(=O)[C@H](C)NS(=O)(=O)c1sc(Cl)nc1C ZINC000038107118 202394725 /nfs/dbraw/zinc/39/47/25/202394725.db2.gz JNULRHILNXOILO-LURJTMIESA-N 0 0 325.843 1.298 10 0 EDAERN O=C(NCCC[C@@H]1CCCCO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000184413949 138794759 /nfs/dbraw/zinc/79/47/59/138794759.db2.gz XPRQEOHWLMAEEO-HOTGVXAUSA-N 0 0 336.436 1.643 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000184412526 138794607 /nfs/dbraw/zinc/79/46/07/138794607.db2.gz XMUIKKUAVGXQHC-DNVCBOLYSA-N 0 0 328.412 1.877 10 0 EDAERN COCCS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000041210192 202477742 /nfs/dbraw/zinc/47/77/42/202477742.db2.gz HCRQWDMDBQJCLJ-AWEZNQCLSA-N 0 0 346.493 1.514 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC000185253896 138803434 /nfs/dbraw/zinc/80/34/34/138803434.db2.gz HAWOUKOQPCVDPH-UHFFFAOYSA-N 0 0 335.791 1.337 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000190341120 238402770 /nfs/dbraw/zinc/40/27/70/238402770.db2.gz QAUBCSQAMACPDN-ZDUSSCGKSA-N 0 0 329.356 1.281 10 0 EDAERN NC(=O)[C@]1(O)CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000225482181 201034841 /nfs/dbraw/zinc/03/48/41/201034841.db2.gz LRPKBQMLWCDBSK-INIZCTEOSA-N 0 0 335.791 1.807 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F)C1CC1 ZINC000049087921 201112794 /nfs/dbraw/zinc/11/27/94/201112794.db2.gz CCXSLHQEIWXVEY-QMMMGPOBSA-N 0 0 328.365 1.082 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCCC1)[C@H]1CCCO1 ZINC000041918787 201095347 /nfs/dbraw/zinc/09/53/47/201095347.db2.gz DVSIRGVYBCTVRQ-CZUORRHYSA-N 0 0 331.416 1.909 10 0 EDAERN COC(=O)C1=Cc2cc(Br)ccc2O[C@H]1C(=O)OC ZINC000090513123 201372283 /nfs/dbraw/zinc/37/22/83/201372283.db2.gz GJLIHXMVJUZRGF-LLVKDONJSA-N 0 0 327.130 1.940 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(Br)cnc1N)c1ncc[nH]1 ZINC000141708142 201357903 /nfs/dbraw/zinc/35/79/03/201357903.db2.gz STYFWFMUNAJIGD-LURJTMIESA-N 0 0 346.210 1.189 10 0 EDAERN C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1C(=O)OC(C)(C)C ZINC000188320426 138838348 /nfs/dbraw/zinc/83/83/48/138838348.db2.gz ZRDJKPSKDQFTJK-QWHCGFSZSA-N 0 0 337.424 1.572 10 0 EDAERN Nc1cc(C(F)(F)F)ccc1S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000149817084 201389428 /nfs/dbraw/zinc/38/94/28/201389428.db2.gz BJQQNKHEEOLMOW-MRVPVSSYSA-N 0 0 343.348 1.248 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCS2)c(N)c1 ZINC000149475319 201389453 /nfs/dbraw/zinc/38/94/53/201389453.db2.gz GNWDQNSXMFORPE-SNVBAGLBSA-N 0 0 330.431 1.229 10 0 EDAERN COc1ccc([C@H](O)[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000043303840 202510919 /nfs/dbraw/zinc/51/09/19/202510919.db2.gz IUHMFRMOIQRJKU-CABZTGNLSA-N 0 0 335.219 1.926 10 0 EDAERN Cc1cc(C(=O)Nc2ccc(F)cc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000049683132 202626480 /nfs/dbraw/zinc/62/64/80/202626480.db2.gz HUHLSXQXKQEEBX-ZDUSSCGKSA-N 0 0 337.376 1.943 10 0 EDAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)Oc1ccc(F)cc1 ZINC000188876653 138854482 /nfs/dbraw/zinc/85/44/82/138854482.db2.gz XSIHSSDFVIFUEZ-GFCCVEGCSA-N 0 0 349.406 1.903 10 0 EDAERN CCOC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@@H]1c1ccc(N(C)C)cc1 ZINC000058948544 202774633 /nfs/dbraw/zinc/77/46/33/202774633.db2.gz KWHSVPISHQDKKQ-CQSZACIVSA-N 0 0 345.399 1.359 10 0 EDAERN CC[C@@H]1CCCN1C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000062156376 202794707 /nfs/dbraw/zinc/79/47/07/202794707.db2.gz ZWOSEYXTKOUPSF-CYBMUJFWSA-N 0 0 336.413 1.768 10 0 EDAERN CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(N)c2)cc1 ZINC000021027245 212200875 /nfs/dbraw/zinc/20/08/75/212200875.db2.gz DNVRUIPWVNYTDQ-UHFFFAOYSA-N 0 0 326.399 1.473 10 0 EDAERN CCOCC(=O)N1CCC[C@H](c2nc(CNC(C)=O)cs2)C1 ZINC000065173207 202826486 /nfs/dbraw/zinc/82/64/86/202826486.db2.gz OROVZPIDBMJKBR-LBPRGKRZSA-N 0 0 325.434 1.522 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000191349937 138911518 /nfs/dbraw/zinc/91/15/18/138911518.db2.gz SYZAITMUDJGVQN-UHFFFAOYSA-N 0 0 349.390 1.543 10 0 EDAERN CC(=O)NC1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C1 ZINC000191487510 138915528 /nfs/dbraw/zinc/91/55/28/138915528.db2.gz MVFDKUILERWLQY-UHFFFAOYSA-N 0 0 340.832 1.603 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)N2CCCC[C@H]2CCO)cc1 ZINC000020555974 212146888 /nfs/dbraw/zinc/14/68/88/212146888.db2.gz IRFNNODHEHSSLW-LBPRGKRZSA-N 0 0 328.459 1.246 10 0 EDAERN NS(=O)(=O)c1ccc(OC2CCOCC2)c(Br)c1 ZINC000068955650 202976263 /nfs/dbraw/zinc/97/62/63/202976263.db2.gz AUIKHDLAFPMRPI-UHFFFAOYSA-N 0 0 336.207 1.654 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1OC ZINC000070705523 203080869 /nfs/dbraw/zinc/08/08/69/203080869.db2.gz RPPPBWWZXNIXEC-CYBMUJFWSA-N 0 0 326.418 1.838 10 0 EDAERN CCOC(=O)CS(=O)(=O)NCc1cc(Br)cs1 ZINC000070978700 203085220 /nfs/dbraw/zinc/08/52/20/203085220.db2.gz UFGYFOVEMXMSOI-UHFFFAOYSA-N 0 0 342.236 1.493 10 0 EDAERN CN1CC[C@@H](NS(=O)(=O)c2ccc(N)c(Br)c2)C1 ZINC000071384662 203093600 /nfs/dbraw/zinc/09/36/00/203093600.db2.gz QDENGRVWTNUBDK-MRVPVSSYSA-N 0 0 334.239 1.014 10 0 EDAERN Nc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1Br ZINC000071384301 203094260 /nfs/dbraw/zinc/09/42/60/203094260.db2.gz CBHWMFOBVLRDFM-QMMMGPOBSA-N 0 0 335.223 1.177 10 0 EDAERN CCOC(=O)CCN(CCNC(C)=O)C(=O)c1cccc(Cl)c1 ZINC000071624384 203101014 /nfs/dbraw/zinc/10/10/14/203101014.db2.gz JGYHUDYWTPKDCU-UHFFFAOYSA-N 0 0 340.807 1.872 10 0 EDAERN CCOc1ccc(CC(=O)N(CCC(=O)OC)[C@@H](CC)CO)cc1 ZINC000071620950 203101261 /nfs/dbraw/zinc/10/12/61/203101261.db2.gz APXCKVRWOJRWHV-HNNXBMFYSA-N 0 0 337.416 1.790 10 0 EDAERN O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1-c1ccccn1 ZINC000072452324 203226490 /nfs/dbraw/zinc/22/64/90/203226490.db2.gz VKSMNGMQUFHELY-UHFFFAOYSA-N 0 0 341.334 1.885 10 0 EDAERN Cc1nccn1CC(=O)N1CCC[C@H](OCc2nc(C3CC3)no2)C1 ZINC000075403421 203314276 /nfs/dbraw/zinc/31/42/76/203314276.db2.gz QNOMIDWITCEFAD-AWEZNQCLSA-N 0 0 345.403 1.660 10 0 EDAERN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075530968 203317378 /nfs/dbraw/zinc/31/73/78/203317378.db2.gz CFMDDDWKXHJZLF-FZMZJTMJSA-N 0 0 326.418 1.058 10 0 EDAERN CCc1ccccc1NC(=O)CNC(=O)CN1[C@H](C)COC[C@H]1C ZINC000077369533 203383636 /nfs/dbraw/zinc/38/36/36/203383636.db2.gz FCWKGNXRFBUUDR-ZIAGYGMSSA-N 0 0 333.432 1.413 10 0 EDAERN C[C@H]1COC[C@H](C)N1C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000077138173 203372303 /nfs/dbraw/zinc/37/23/03/203372303.db2.gz XZUNGMHMPOIIKL-RYUDHWBXSA-N 0 0 330.388 1.319 10 0 EDAERN Cc1ccn2c(c1)ncc(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c2=O ZINC000081450240 203480560 /nfs/dbraw/zinc/48/05/60/203480560.db2.gz RHSDEMPCWOIGBL-LBPRGKRZSA-N 0 0 345.399 1.805 10 0 EDAERN COC(=O)[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cnc2ccccc2n1 ZINC000019144488 284198290 /nfs/dbraw/zinc/19/82/90/284198290.db2.gz FVSBQIRSBDLYJY-HNNXBMFYSA-N 0 0 337.339 1.093 10 0 EDAERN CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(N)cs2)C1 ZINC000041068363 204000232 /nfs/dbraw/zinc/00/02/32/204000232.db2.gz UVZHULCTCKJMPQ-JTQLQIEISA-N 0 0 333.435 1.230 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000102102611 204031939 /nfs/dbraw/zinc/03/19/39/204031939.db2.gz OCZRCLAYNNPCNA-CQSZACIVSA-N 0 0 335.379 1.672 10 0 EDAERN C[C@@H](NS(=O)(=O)c1sccc1Br)C(N)=S ZINC000042524388 204102706 /nfs/dbraw/zinc/10/27/06/204102706.db2.gz WKENXRMMMSWLKR-SCSAIBSYSA-N 0 0 329.266 1.464 10 0 EDAERN Cc1cc(NC(=O)CN(C)[C@H]2CCCN(c3cccnn3)C2)no1 ZINC000105802613 204161563 /nfs/dbraw/zinc/16/15/63/204161563.db2.gz ATEHEJDYIBATND-ZDUSSCGKSA-N 0 0 330.392 1.312 10 0 EDAERN Cc1ccc(-c2nnn(CC(=O)N[C@@H]3COc4ccccc43)n2)cc1 ZINC000194881778 139001852 /nfs/dbraw/zinc/00/18/52/139001852.db2.gz BSNNRSAENNXAEB-OAHLLOKOSA-N 0 0 335.367 1.898 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCCO1 ZINC000042813024 204147084 /nfs/dbraw/zinc/14/70/84/204147084.db2.gz OJVMHJHWASDWTD-JTQLQIEISA-N 0 0 349.250 1.879 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2-n2ncc3c2nc[nH]c3=O)O1 ZINC000152066483 204210150 /nfs/dbraw/zinc/21/01/50/204210150.db2.gz DEEUMXFXYUQOGC-YGRLFVJLSA-N 0 0 339.355 1.615 10 0 EDAERN O=C(c1ccc2c(c1)CCC(=O)N2)N1CCC[C@H](n2cncn2)C1 ZINC000105853822 204170807 /nfs/dbraw/zinc/17/08/07/204170807.db2.gz LJKVOJAYSCQEGW-AWEZNQCLSA-N 0 0 325.372 1.640 10 0 EDAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105855709 204171356 /nfs/dbraw/zinc/17/13/56/204171356.db2.gz APUKMANSKGAXRH-OLZOCXBDSA-N 0 0 337.424 1.745 10 0 EDAERN CN(CCCS(C)(=O)=O)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874697 204174187 /nfs/dbraw/zinc/17/41/87/204174187.db2.gz MIBMFOZPBSPZAK-AWEZNQCLSA-N 0 0 346.518 1.488 10 0 EDAERN O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1cc(F)ccc1F ZINC000105882915 204174316 /nfs/dbraw/zinc/17/43/16/204174316.db2.gz MZTPKWVPWFYLFG-GFCCVEGCSA-N 0 0 335.358 1.907 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000106396425 204192838 /nfs/dbraw/zinc/19/28/38/204192838.db2.gz HBBCIGBTBSMGGU-JTQLQIEISA-N 0 0 332.231 1.917 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000106395888 204193442 /nfs/dbraw/zinc/19/34/42/204193442.db2.gz QXJYMKGEUFXDKY-OAHLLOKOSA-N 0 0 343.427 1.028 10 0 EDAERN CC(C)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C(=O)[O-] ZINC000043442680 204269109 /nfs/dbraw/zinc/26/91/09/204269109.db2.gz POWRKAFDKGMMSM-JTQLQIEISA-N 0 0 344.209 1.872 10 0 EDAERN CN(C)C(=O)CCCN1c2cc(Br)ccc2C(=O)C1=O ZINC000043453638 204273225 /nfs/dbraw/zinc/27/32/25/204273225.db2.gz SAANXPWVFZSWSH-UHFFFAOYSA-N 0 0 339.189 1.847 10 0 EDAERN O=C(CN1CCC(=O)NC1=O)Oc1ccc(F)cc1Br ZINC000110168265 204303993 /nfs/dbraw/zinc/30/39/93/204303993.db2.gz VNCOQYMOBVGFGJ-UHFFFAOYSA-N 0 0 345.124 1.436 10 0 EDAERN CN(CC(N)=S)C(=O)c1ccccc1I ZINC000045060551 204311838 /nfs/dbraw/zinc/31/18/38/204311838.db2.gz ZSFDORGIURKESF-UHFFFAOYSA-N 0 0 334.182 1.649 10 0 EDAERN CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(N)cccc1Cl ZINC000045166365 204316152 /nfs/dbraw/zinc/31/61/52/204316152.db2.gz OLRCQTSBGYWXFB-LLVKDONJSA-N 0 0 331.825 1.211 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cccnc3Cl)CC2)n1 ZINC000110896512 204325841 /nfs/dbraw/zinc/32/58/41/204325841.db2.gz VNYUMGQTISEHDA-JTQLQIEISA-N 0 0 335.795 1.945 10 0 EDAERN COCCOc1ccccc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077116 204335370 /nfs/dbraw/zinc/33/53/70/204335370.db2.gz SUQBZDBJJFLVTM-HNNXBMFYSA-N 0 0 345.399 1.450 10 0 EDAERN O=C(COc1ccc(Cl)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111089721 204336607 /nfs/dbraw/zinc/33/66/07/204336607.db2.gz MZMTZBNHIIEMPU-HNNXBMFYSA-N 0 0 335.791 1.843 10 0 EDAERN COC[C@@H](O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000047952162 204337793 /nfs/dbraw/zinc/33/77/93/204337793.db2.gz GNDQWFUCRYSEOI-VIFPVBQESA-N 0 0 328.217 1.621 10 0 EDAERN COC[C@H](O)CN(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000047952335 204338230 /nfs/dbraw/zinc/33/82/30/204338230.db2.gz NPMVYNOFQRDKTI-SNVBAGLBSA-N 0 0 328.217 1.621 10 0 EDAERN CC(C)c1ccccc1OCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000111493087 204361062 /nfs/dbraw/zinc/36/10/62/204361062.db2.gz JOJPBBOOEXVHLM-OAHLLOKOSA-N 0 0 335.448 1.819 10 0 EDAERN CC(C)N(C)S(=O)(=O)N=c1[n-]c(-c2ccc(C[NH3+])o2)cs1 ZINC000049042632 204363265 /nfs/dbraw/zinc/36/32/65/204363265.db2.gz SAIPSGJOACNRAR-UHFFFAOYSA-N 0 0 330.435 1.859 10 0 EDAERN Cc1cc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccc1C(N)=O ZINC000111762291 204371992 /nfs/dbraw/zinc/37/19/92/204371992.db2.gz IOTNAXFPDCGYSS-CQSZACIVSA-N 0 0 343.387 1.223 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCCn3ccnc3)CCO2)n1 ZINC000111785808 204372633 /nfs/dbraw/zinc/37/26/33/204372633.db2.gz WRUCLBRITYRPAB-INIZCTEOSA-N 0 0 346.435 1.197 10 0 EDAERN C[C@H](Cc1cccs1)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111821521 204375756 /nfs/dbraw/zinc/37/57/56/204375756.db2.gz XMJOVHWCZHJPKS-KGLIPLIRSA-N 0 0 334.445 1.986 10 0 EDAERN CCCc1c(C(=O)N[C@H]2CCc3ncnn3C2)[nH]c(C)c1C(C)=O ZINC000112648708 204408538 /nfs/dbraw/zinc/40/85/38/204408538.db2.gz WNWBVBFAIAZQFL-LBPRGKRZSA-N 0 0 329.404 1.815 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCO2)c1 ZINC000112117700 204384557 /nfs/dbraw/zinc/38/45/57/204384557.db2.gz FYLXLCIQSFIWPR-QGZVFWFLSA-N 0 0 328.416 1.799 10 0 EDAERN Cc1ncc(/C=C/C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000112293640 204390159 /nfs/dbraw/zinc/39/01/59/204390159.db2.gz INLJVLUXILAPES-SNAWJCMRSA-N 0 0 345.472 1.933 10 0 EDAERN COc1c(CNc2ccc(C(=O)N3CCOCC3)cc2)c(C)nn1C ZINC000195092426 139006849 /nfs/dbraw/zinc/00/68/49/139006849.db2.gz MUNOVIDODHSYCM-UHFFFAOYSA-N 0 0 344.415 1.822 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)n1 ZINC000113183124 204433190 /nfs/dbraw/zinc/43/31/90/204433190.db2.gz NLVOHLBAUQHAKV-NVXWUHKLSA-N 0 0 341.411 1.904 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000195178899 139008993 /nfs/dbraw/zinc/00/89/93/139008993.db2.gz OTTUBBZJFHDBGF-QGZVFWFLSA-N 0 0 338.423 1.648 10 0 EDAERN O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000114209407 204467793 /nfs/dbraw/zinc/46/77/93/204467793.db2.gz HQSCMKIJCYEGIX-LBPRGKRZSA-N 0 0 328.344 1.582 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000114851847 204489317 /nfs/dbraw/zinc/48/93/17/204489317.db2.gz NZXYTMARNZYQGG-SNVBAGLBSA-N 0 0 330.344 1.133 10 0 EDAERN O=C(CN1CCC(c2cc[nH]n2)CC1)NC(=O)NC1CCCCC1 ZINC000195506550 139018430 /nfs/dbraw/zinc/01/84/30/139018430.db2.gz YYUYHZVYLYGHPM-UHFFFAOYSA-N 0 0 333.436 1.748 10 0 EDAERN C[C@@H](NC(=O)NC[C@@](C)(O)c1ccccc1)c1nnc2n1CCCC2 ZINC000153559045 204767224 /nfs/dbraw/zinc/76/72/24/204767224.db2.gz IMLDYZUWPYMTFV-FZKQIMNGSA-N 0 0 343.431 1.882 10 0 EDAERN Nc1cc(-c2nnnn2C[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000050604457 204779178 /nfs/dbraw/zinc/77/91/78/204779178.db2.gz XWXWKWHYRGCITG-MRVPVSSYSA-N 0 0 327.797 1.010 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccsc3)C2)n1 ZINC000125839923 205029170 /nfs/dbraw/zinc/02/91/70/205029170.db2.gz HQRLIFHYQRQLEI-CYBMUJFWSA-N 0 0 347.444 1.834 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)Nc3ccc(F)nc3)CC2)n1 ZINC000125953037 205032730 /nfs/dbraw/zinc/03/27/30/205032730.db2.gz ACIYYWYLKADTAD-JTQLQIEISA-N 0 0 334.355 1.823 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126281526 205049970 /nfs/dbraw/zinc/04/99/70/205049970.db2.gz HVFCEHBCSYMMCZ-UHFFFAOYSA-N 0 0 329.404 1.355 10 0 EDAERN Cc1cccn2cc(CNC(=O)[C@@H](C)NC(=O)c3ccco3)nc12 ZINC000110798698 220067122 /nfs/dbraw/zinc/06/71/22/220067122.db2.gz VMLBJDBEYNDMQQ-GFCCVEGCSA-N 0 0 326.356 1.670 10 0 EDAERN Cc1ccn2ncc(C(=O)N3CCC[C@H](Cn4cncn4)C3)c2n1 ZINC000126917511 205077460 /nfs/dbraw/zinc/07/74/60/205077460.db2.gz NFXCWTYMOWFJER-ZDUSSCGKSA-N 0 0 325.376 1.182 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000127684064 205112221 /nfs/dbraw/zinc/11/22/21/205112221.db2.gz DXZVQQFIPAEJBG-SECBINFHSA-N 0 0 333.310 1.510 10 0 EDAERN CCNc1ncc(C(=O)N[C@H]2CCCn3nc(COC)nc32)s1 ZINC000131409222 205285553 /nfs/dbraw/zinc/28/55/53/205285553.db2.gz AIPPTWFDCMVDJC-VIFPVBQESA-N 0 0 336.421 1.578 10 0 EDAERN CSCC[C@@H]([NH3+])C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000237518224 139053077 /nfs/dbraw/zinc/05/30/77/139053077.db2.gz LDCODCSVARGDAQ-CYBMUJFWSA-N 0 0 328.409 1.431 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)c2ccnnc2)c2cccs2)CCO1 ZINC000132553966 205331774 /nfs/dbraw/zinc/33/17/74/205331774.db2.gz SKGDYDRPZLUUNB-JSGCOSHPSA-N 0 0 332.429 1.730 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N2CCC[C@H](n3cc(C)cn3)C2)cn1 ZINC000132095109 205313756 /nfs/dbraw/zinc/31/37/56/205313756.db2.gz VEDWFXFQDYLEJO-AWEZNQCLSA-N 0 0 342.403 1.346 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1S(N)(=O)=O)C(=O)NC(C)(C)C ZINC000147277518 205365753 /nfs/dbraw/zinc/36/57/53/205365753.db2.gz BRPMQTWIHNMOAQ-MRVPVSSYSA-N 0 0 334.825 1.669 10 0 EDAERN Cc1nn(C)c(COc2ccc(S(N)(=O)=O)c(C)c2)c1Cl ZINC000147378021 205367747 /nfs/dbraw/zinc/36/77/47/205367747.db2.gz RKVXMTWWHVRBPH-UHFFFAOYSA-N 0 0 329.809 1.917 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000133960245 205385644 /nfs/dbraw/zinc/38/56/44/205385644.db2.gz WLIJXTHEVMZZTG-CYBMUJFWSA-N 0 0 331.416 1.657 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000137661051 205537614 /nfs/dbraw/zinc/53/76/14/205537614.db2.gz XQIHSNFGRVZZRY-UONOGXRCSA-N 0 0 336.440 1.320 10 0 EDAERN Cc1cc2cccc(S(=O)(=O)N3CC[C@@H](O)C3)c2nc1Cl ZINC000136833646 205514608 /nfs/dbraw/zinc/51/46/08/205514608.db2.gz HHCLENJEGIIXER-LLVKDONJSA-N 0 0 326.805 1.952 10 0 EDAERN CSCCNS(=O)(=O)c1ccc(Br)c(N)c1 ZINC000148262236 205567078 /nfs/dbraw/zinc/56/70/78/205567078.db2.gz JOPSBIZDSOCEAB-UHFFFAOYSA-N 0 0 325.253 1.673 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(=O)OC)c1ccccc1F ZINC000151202964 205622405 /nfs/dbraw/zinc/62/24/05/205622405.db2.gz OEPPOFYYYBGRKP-DZGCQCFKSA-N 0 0 348.378 1.902 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000245452767 139075519 /nfs/dbraw/zinc/07/55/19/139075519.db2.gz DWHHPQLMDXMQRD-MJBXVCDLSA-N 0 0 348.447 1.812 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)COCc2ccccc2)C[C@@H]1C ZINC000245494527 139076799 /nfs/dbraw/zinc/07/67/99/139076799.db2.gz NPZFNGRMTMIZEV-SJORKVTESA-N 0 0 349.475 1.954 10 0 EDAERN COCCN1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@@H]1C ZINC000245567131 139079888 /nfs/dbraw/zinc/07/98/88/139079888.db2.gz XLSYQOMYPYVWKW-HOTGVXAUSA-N 0 0 347.463 1.022 10 0 EDAERN CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1C[C@H]1C ZINC000052302116 205877243 /nfs/dbraw/zinc/87/72/43/205877243.db2.gz ISVDIIMNSDILTC-SKDRFNHKSA-N 0 0 332.447 1.209 10 0 EDAERN COc1cccc(-c2cc(NC(=O)C(=O)N[C@H]3C[C@@H]3C)n(C)n2)c1 ZINC000153910528 205893328 /nfs/dbraw/zinc/89/33/28/205893328.db2.gz AEVQIAVHDXVKLM-GWCFXTLKSA-N 0 0 328.372 1.559 10 0 EDAERN CC(C)(C)C(=O)NCCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000154399709 205924812 /nfs/dbraw/zinc/92/48/12/205924812.db2.gz KCVVXJQJOFLVHN-UHFFFAOYSA-N 0 0 348.451 1.225 10 0 EDAERN Cc1nc(-c2ccccc2)ncc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000156330565 206071021 /nfs/dbraw/zinc/07/10/21/206071021.db2.gz FZZDYCRLWODLSY-OAHLLOKOSA-N 0 0 326.400 1.512 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCOCCc1ccccc1 ZINC000156434713 206076229 /nfs/dbraw/zinc/07/62/29/206076229.db2.gz GOPXAJRTRYUULC-MRXNPFEDSA-N 0 0 333.432 1.556 10 0 EDAERN [NH3+][C@@H](Cc1cn(Cc2ccc(Br)s2)nn1)C(=O)[O-] ZINC000157657618 206148920 /nfs/dbraw/zinc/14/89/20/206148920.db2.gz DOVFMNSVMRURTL-QMMMGPOBSA-N 0 0 331.195 1.105 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1 ZINC000158250192 206181816 /nfs/dbraw/zinc/18/18/16/206181816.db2.gz BRNZRBFORKERNU-HNNXBMFYSA-N 0 0 336.432 1.501 10 0 EDAERN COc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1Cl ZINC000158537075 206197585 /nfs/dbraw/zinc/19/75/85/206197585.db2.gz ANIBUPJQDNBJDC-ZWNOBZJWSA-N 0 0 340.807 1.954 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000158662384 206203785 /nfs/dbraw/zinc/20/37/85/206203785.db2.gz WHUHYWLNEOCGPB-GOEBONIOSA-N 0 0 348.422 1.715 10 0 EDAERN CCOC(=O)C(=O)N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159678030 206257908 /nfs/dbraw/zinc/25/79/08/206257908.db2.gz JUUBONPEOWYNRM-UHFFFAOYSA-N 0 0 326.422 1.047 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)C[C@@H]1C ZINC000246076031 139093955 /nfs/dbraw/zinc/09/39/55/139093955.db2.gz BVDSDOLUGDCRIA-UXLLHSPISA-N 0 0 347.459 1.913 10 0 EDAERN CC[C@H](C)[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000246213646 139099554 /nfs/dbraw/zinc/09/95/54/139099554.db2.gz YUSNAZWUTATAQL-CGTJXYLNSA-N 0 0 334.460 1.626 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000246530165 139111960 /nfs/dbraw/zinc/11/19/60/139111960.db2.gz WPCUASHWECSCFG-KGLIPLIRSA-N 0 0 327.450 1.871 10 0 EDAERN COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000246988360 139129761 /nfs/dbraw/zinc/12/97/61/139129761.db2.gz LHCAAELZWJOZEJ-GDBMZVCRSA-N 0 0 342.443 1.923 10 0 EDAERN CCOCCN1CCN(C(=O)CSC[C@H]2CCCCO2)C[C@H]1C ZINC000247022816 139131759 /nfs/dbraw/zinc/13/17/59/139131759.db2.gz HVNASOPWQOSGKR-HZPDHXFCSA-N 0 0 344.521 1.858 10 0 EDAERN Cc1cccc(C)c1OC[C@@H](O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247038344 139132607 /nfs/dbraw/zinc/13/26/07/139132607.db2.gz DONIFHFRWGXSDM-ZWKOTPCHSA-N 0 0 345.443 1.641 10 0 EDAERN COCc1nc(-c2nccs2)nc(N)c1I ZINC000161622285 206360369 /nfs/dbraw/zinc/36/03/69/206360369.db2.gz YNWNFJZWSBYFBI-UHFFFAOYSA-N 0 0 348.169 1.933 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCNC(=O)CC(C)C ZINC000247201133 139140185 /nfs/dbraw/zinc/14/01/85/139140185.db2.gz ZZTDCASACQZTGW-ZNMIVQPWSA-N 0 0 338.448 1.872 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000247239927 139141805 /nfs/dbraw/zinc/14/18/05/139141805.db2.gz XUQABJGEYMTJRE-ABAIWWIYSA-N 0 0 347.394 1.330 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)NCc2cccs2)C[C@H]1C ZINC000247232660 139141647 /nfs/dbraw/zinc/14/16/47/139141647.db2.gz RJKSAPYWDXDTKO-ZIAGYGMSSA-N 0 0 325.478 1.405 10 0 EDAERN CCOCCN1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000247240630 139142064 /nfs/dbraw/zinc/14/20/64/139142064.db2.gz SIDJIZTWZITXHY-BRWVUGGUSA-N 0 0 325.497 1.819 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccccc2C)C[C@H]1C ZINC000247273857 139143169 /nfs/dbraw/zinc/14/31/69/139143169.db2.gz ZOTOVJMREWUJDQ-MRXNPFEDSA-N 0 0 340.489 1.867 10 0 EDAERN Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](Cn3cccn3)C2)c(C)c1 ZINC000247381499 139146635 /nfs/dbraw/zinc/14/66/35/139146635.db2.gz VXWRGCXROWBZKD-ZWKOTPCHSA-N 0 0 345.443 1.641 10 0 EDAERN CC(C)N1CCO[C@@H](CS(=O)(=O)c2ccc(N)c(Cl)c2)C1 ZINC000166443406 206531014 /nfs/dbraw/zinc/53/10/14/206531014.db2.gz YFRFCZCFPAJBKD-LLVKDONJSA-N 0 0 332.853 1.805 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](CC)C1 ZINC000247413037 139148192 /nfs/dbraw/zinc/14/81/92/139148192.db2.gz CRFSSDFVPOVDFS-MGPQQGTHSA-N 0 0 332.466 1.217 10 0 EDAERN CCCS(=O)(=O)N1CCN(C(=O)c2cnccc2Cl)CC1 ZINC000169285579 206549342 /nfs/dbraw/zinc/54/93/42/206549342.db2.gz ONBFEXHUMADWKJ-UHFFFAOYSA-N 0 0 331.825 1.233 10 0 EDAERN C[NH+](C)CCCN1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000170557194 206577765 /nfs/dbraw/zinc/57/77/65/206577765.db2.gz OUUWWIYCRODPDF-CYBMUJFWSA-N 0 0 333.388 1.124 10 0 EDAERN CCOC(=O)c1cnn(C)c1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000170498942 206578326 /nfs/dbraw/zinc/57/83/26/206578326.db2.gz HJGVHMQDEJKGLB-UHFFFAOYSA-N 0 0 347.371 1.795 10 0 EDAERN C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC(=O)N=C2C=CC=CN21 ZINC000170575314 206578962 /nfs/dbraw/zinc/57/89/62/206578962.db2.gz VZCYDESDFXFNEI-SFHVURJKSA-N 0 0 339.351 1.869 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCN(c2cccnn2)CC1 ZINC000170650334 206597001 /nfs/dbraw/zinc/59/70/01/206597001.db2.gz OAWMMZAIIQQOCY-JKSUJKDBSA-N 0 0 339.443 1.865 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000248647451 139170046 /nfs/dbraw/zinc/17/00/46/139170046.db2.gz SZFDHFJFOUBEBZ-GDBMZVCRSA-N 0 0 326.462 1.573 10 0 EDAERN Cc1ccc(OCc2nc(CN3CCOC[C@@H]3C(N)=O)cs2)cc1 ZINC000092229102 218128079 /nfs/dbraw/zinc/12/80/79/218128079.db2.gz UNPNHWPPXOILBH-OAHLLOKOSA-N 0 0 347.440 1.717 10 0 EDAERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000249060608 139184297 /nfs/dbraw/zinc/18/42/97/139184297.db2.gz PEZGSNDAZWVBCE-YCPHGPKFSA-N 0 0 339.480 1.551 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1c(C)nn(C)c1C ZINC000249352829 139191440 /nfs/dbraw/zinc/19/14/40/139191440.db2.gz WZTQNCXMWRRQRH-BPUTZDHNSA-N 0 0 333.432 1.912 10 0 EDAERN COCCCNC(=O)[C@@H](C)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249907609 139199974 /nfs/dbraw/zinc/19/99/74/139199974.db2.gz VFHADNNKRHVHLS-CHWSQXEVSA-N 0 0 327.450 1.366 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000253556701 139207149 /nfs/dbraw/zinc/20/71/49/139207149.db2.gz FAJDQIWCHOEUFC-XQQFMLRXSA-N 0 0 333.388 1.745 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2sc(C)nc2C)ncn1 ZINC000173415043 206925208 /nfs/dbraw/zinc/92/52/08/206925208.db2.gz YYKCDVJAEHQWDO-LBPRGKRZSA-N 0 0 346.460 1.990 10 0 EDAERN CCCc1cc(=O)n2nc(N3CCC[C@@H](n4cncn4)C3)sc2n1 ZINC000173746902 206954995 /nfs/dbraw/zinc/95/49/95/206954995.db2.gz KSEIKVOKEXPIQO-GFCCVEGCSA-N 0 0 345.432 1.537 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccoc2)ncn1 ZINC000174330865 207011635 /nfs/dbraw/zinc/01/16/35/207011635.db2.gz IFRLUXRGGQRFMZ-CYBMUJFWSA-N 0 0 330.392 1.580 10 0 EDAERN Cc1c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cnn1-c1ccccn1 ZINC000174327234 207011657 /nfs/dbraw/zinc/01/16/57/207011657.db2.gz MKCGXEHBJKUIDE-ZIAGYGMSSA-N 0 0 343.431 1.103 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)c2cn(CC(=O)C(C)(C)C)nn2)cn1 ZINC000174612283 207037386 /nfs/dbraw/zinc/03/73/86/207037386.db2.gz IORUVEMFUOWFAY-AWEZNQCLSA-N 0 0 344.419 1.604 10 0 EDAERN CN[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)c1cnn(C)c1 ZINC000262171985 139257138 /nfs/dbraw/zinc/25/71/38/139257138.db2.gz KFGGIRXWGNXITR-CYBMUJFWSA-N 0 0 342.321 1.896 10 0 EDAERN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1-n1cnnn1 ZINC000174862725 207065084 /nfs/dbraw/zinc/06/50/84/207065084.db2.gz QTIJUQDUWAFQGW-CYBMUJFWSA-N 0 0 343.391 1.055 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000174792668 207058756 /nfs/dbraw/zinc/05/87/56/207058756.db2.gz GPXDTNISAPQBPH-KFWWJZLASA-N 0 0 335.404 1.090 10 0 EDAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(CC(C)C)cn2)C1 ZINC000174999295 207082301 /nfs/dbraw/zinc/08/23/01/207082301.db2.gz AKQLLGROGPEVHL-GFCCVEGCSA-N 0 0 329.422 1.113 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175737921 207155738 /nfs/dbraw/zinc/15/57/38/207155738.db2.gz SJPRAWZXNRHHLH-LLVKDONJSA-N 0 0 348.403 1.062 10 0 EDAERN Cc1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)s1 ZINC000175860285 207168078 /nfs/dbraw/zinc/16/80/78/207168078.db2.gz UNMVBMAYKKDRMG-UHFFFAOYSA-N 0 0 343.416 1.848 10 0 EDAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000175979047 207180351 /nfs/dbraw/zinc/18/03/51/207180351.db2.gz QPXZXPHIHFDGLI-CYBMUJFWSA-N 0 0 332.379 1.802 10 0 EDAERN CC(C)c1nnc(CNC(=O)c2ccc(CNC(N)=O)cc2)s1 ZINC000262430367 139278411 /nfs/dbraw/zinc/27/84/11/139278411.db2.gz SKMQXCNARPOPTJ-UHFFFAOYSA-N 0 0 333.417 1.760 10 0 EDAERN CN[C@@H](C(=O)NC1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000262433362 139278640 /nfs/dbraw/zinc/27/86/40/139278640.db2.gz UCMCLYQSSBOUGM-QGZVFWFLSA-N 0 0 327.432 1.466 10 0 EDAERN CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176105542 207191075 /nfs/dbraw/zinc/19/10/75/207191075.db2.gz GNIWGZGESGNZAY-LLVKDONJSA-N 0 0 331.401 1.590 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1Cl ZINC000176105211 207191182 /nfs/dbraw/zinc/19/11/82/207191182.db2.gz JFOZRAGLCHNRBQ-NSHDSACASA-N 0 0 333.779 1.830 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CCNS(=O)(=O)c1ccccc1 ZINC000176422389 207225874 /nfs/dbraw/zinc/22/58/74/207225874.db2.gz DFXLKXDDQVLPEA-ZDUSSCGKSA-N 0 0 342.461 1.627 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccnn1C ZINC000176519435 207234262 /nfs/dbraw/zinc/23/42/62/207234262.db2.gz OHKJGISHLFPSCB-AWEZNQCLSA-N 0 0 334.445 1.627 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1c[nH]c(C(N)=O)c1)C(C)C ZINC000176740830 207256154 /nfs/dbraw/zinc/25/61/54/207256154.db2.gz NDZQTAUYXIZKIY-OAHLLOKOSA-N 0 0 342.399 1.815 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cncc(C)c2)C1 ZINC000177235908 207309525 /nfs/dbraw/zinc/30/95/25/207309525.db2.gz DUOIOHQTOVGKFH-ZDUSSCGKSA-N 0 0 332.404 1.236 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177181085 207303371 /nfs/dbraw/zinc/30/33/71/207303371.db2.gz OQPOBQPORBSXDK-CQSZACIVSA-N 0 0 334.445 1.804 10 0 EDAERN C[C@H](CNC(=O)[C@H]1CNC(=O)C1)Oc1ccccc1Br ZINC000177264123 207313161 /nfs/dbraw/zinc/31/31/61/207313161.db2.gz SUBQTNNQJZZVMH-NXEZZACHSA-N 0 0 341.205 1.469 10 0 EDAERN O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177387696 207329847 /nfs/dbraw/zinc/32/98/47/207329847.db2.gz CBRDAEVNFDKENN-JTQLQIEISA-N 0 0 341.333 1.739 10 0 EDAERN CCN(c1ccc(NC(=O)CSC[C@@H](O)CO)cc1)C(C)C ZINC000177413449 207332761 /nfs/dbraw/zinc/33/27/61/207332761.db2.gz XGTFBIGTMXKWPQ-HNNXBMFYSA-N 0 0 326.462 1.946 10 0 EDAERN O=C(CSC[C@H](O)CO)Nc1ncc(C(F)(F)F)cc1Cl ZINC000177428499 207336126 /nfs/dbraw/zinc/33/61/26/207336126.db2.gz HVKYXSVCGXDZGF-SSDOTTSWSA-N 0 0 344.742 1.779 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000177618651 207366026 /nfs/dbraw/zinc/36/60/26/207366026.db2.gz WIGHWXIHLUCREI-DGCLKSJQSA-N 0 0 347.325 1.701 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633402 207367042 /nfs/dbraw/zinc/36/70/42/207367042.db2.gz OPHAEXXZCOYTTL-NSHDSACASA-N 0 0 333.779 1.310 10 0 EDAERN O=C(Nc1ccccc1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177653946 207369124 /nfs/dbraw/zinc/36/91/24/207369124.db2.gz IFFUFJODDWCIPI-GFCCVEGCSA-N 0 0 348.790 1.403 10 0 EDAERN COCCOCCS(=O)(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180590174 207803201 /nfs/dbraw/zinc/80/32/01/207803201.db2.gz KRJARFWWHOGPBA-CZUORRHYSA-N 0 0 327.446 1.811 10 0 EDAERN CN1CCc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3CO)cc21 ZINC000180671106 207819100 /nfs/dbraw/zinc/81/91/00/207819100.db2.gz ZDTDDBKCXZALSS-UKRRQHHQSA-N 0 0 331.416 1.285 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N(C)CCO)cc1 ZINC000180922262 207856704 /nfs/dbraw/zinc/85/67/04/207856704.db2.gz CALCRWTUDUDALY-GFCCVEGCSA-N 0 0 331.372 1.465 10 0 EDAERN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000170900521 285194805 /nfs/dbraw/zinc/19/48/05/285194805.db2.gz MEMBEEQUBUPVKG-HUUCEWRRSA-N 0 0 336.457 1.896 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000263477397 139344208 /nfs/dbraw/zinc/34/42/08/139344208.db2.gz JSCXOMXLLDSMMR-UHFFFAOYSA-N 0 0 333.388 1.948 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@@H](c4cnn(C)c4)C3)nc2n1 ZINC000116112181 220930678 /nfs/dbraw/zinc/93/06/78/220930678.db2.gz XMOULLXYMOZFFZ-CYBMUJFWSA-N 0 0 339.403 1.033 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cccnc3Cl)C2=O)n(C)n1 ZINC000174987580 291935271 /nfs/dbraw/zinc/93/52/71/291935271.db2.gz PCYSZLPIFVTPCC-LBPRGKRZSA-N 0 0 347.806 1.702 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(CC)cc2)C[C@@H]1C ZINC000117521765 221073220 /nfs/dbraw/zinc/07/32/20/221073220.db2.gz NHONEMOZMHETSV-HNNXBMFYSA-N 0 0 347.459 1.757 10 0 EDAERN COCCN1CCN(C(=O)NCCCn2nc(C)cc2C)C[C@H]1C ZINC000117469547 221067125 /nfs/dbraw/zinc/06/71/25/221067125.db2.gz QOEQEYJVMCOERT-MRXNPFEDSA-N 0 0 337.468 1.252 10 0 EDAERN COCCN1CCN(C(=O)NCCO[C@@H]2CCCC[C@H]2C)C[C@H]1C ZINC000117478873 221068147 /nfs/dbraw/zinc/06/81/47/221068147.db2.gz QZNQESGQXRWGJM-BRWVUGGUSA-N 0 0 341.496 1.944 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1 ZINC000117809373 221092295 /nfs/dbraw/zinc/09/22/95/221092295.db2.gz MWNKRKLZHCFHMU-UHFFFAOYSA-N 0 0 341.346 1.307 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000119190162 221262999 /nfs/dbraw/zinc/26/29/99/221262999.db2.gz CFYAWZCYFLMHEU-CYBMUJFWSA-N 0 0 347.337 1.520 10 0 EDAERN O[C@H](COc1ccccc1)CN1CCN(CCOCC2CC2)CC1 ZINC000119276533 221283843 /nfs/dbraw/zinc/28/38/43/221283843.db2.gz CSDCIJAJLKYZTC-SFHVURJKSA-N 0 0 334.460 1.471 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1cncc(F)c1 ZINC000155396270 224411031 /nfs/dbraw/zinc/41/10/31/224411031.db2.gz ZJDUUVPFKRZHKE-IHVVCDCBSA-N 0 0 331.351 1.623 10 0 EDAERN O=C(CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)NC1CC1 ZINC000155393856 224411309 /nfs/dbraw/zinc/41/13/09/224411309.db2.gz DLDGEGPLNABMFT-GFCCVEGCSA-N 0 0 329.322 1.738 10 0 EDAERN COc1cc(N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)ncn1 ZINC000503717115 257832116 /nfs/dbraw/zinc/83/21/16/257832116.db2.gz PZMCSSIDNAJPOE-SJCJKPOMSA-N 0 0 346.362 1.551 10 0 EDAERN COCc1nc(C2(OC)CCOCC2)nc(N)c1Br ZINC000168825480 533280499 /nfs/dbraw/zinc/28/04/99/533280499.db2.gz DKXZPHPSHFFZJL-UHFFFAOYSA-N 0 0 332.198 1.620 10 0 EDAERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000164635625 533522753 /nfs/dbraw/zinc/52/27/53/533522753.db2.gz LDJJJPAQARNOHF-IUODEOHRSA-N 0 0 349.460 1.714 10 0 EDAERN COc1ccc(CN(C(=O)NCC(=O)NCC2CC2)C2CC2)cc1 ZINC000183776674 533515354 /nfs/dbraw/zinc/51/53/54/533515354.db2.gz WHKNYBXERADLDX-UHFFFAOYSA-N 0 0 331.416 1.895 10 0 EDAERN CCCS(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)c2ccccc21 ZINC000062190129 132435245 /nfs/dbraw/zinc/43/52/45/132435245.db2.gz UEOXBUSCWQRKCV-LBPRGKRZSA-N 0 0 332.447 1.227 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)nc2n1 ZINC000329869003 140774547 /nfs/dbraw/zinc/77/45/47/140774547.db2.gz YEOWOELXJBKQJS-OLZOCXBDSA-N 0 0 342.403 1.394 10 0 EDAERN C[C@H]1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CCS1(=O)=O ZINC000330277405 140826972 /nfs/dbraw/zinc/82/69/72/140826972.db2.gz OEPVZCWSKGAPPE-LBPRGKRZSA-N 0 0 348.424 1.188 10 0 EDAERN O=C(Nc1ccc(N2CCOCC2)nc1)c1cn2c(n1)CCCC2 ZINC000333024834 141251820 /nfs/dbraw/zinc/25/18/20/141251820.db2.gz GCTLDTKPPQPANC-UHFFFAOYSA-N 0 0 327.388 1.703 10 0 EDAERN O=C(CN1CCC[C@@H](c2nnc[nH]2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000333033904 141253098 /nfs/dbraw/zinc/25/30/98/141253098.db2.gz BCJQZSKWYWQZSF-CABCVRRESA-N 0 0 341.415 1.104 10 0 EDAERN Cc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)nc1C ZINC000333569227 141338528 /nfs/dbraw/zinc/33/85/28/141338528.db2.gz IGZZPGYIBVHPOA-NVXWUHKLSA-N 0 0 332.448 1.703 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@@H](C)CN2CCOCC2)C[C@@]12CCCO2 ZINC000333598663 141342820 /nfs/dbraw/zinc/34/28/20/141342820.db2.gz MDUHTRMXOCKUCT-RYRKJORJSA-N 0 0 339.480 1.554 10 0 EDAERN O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1c[nH]nc1-c1nccs1 ZINC000333731245 141368055 /nfs/dbraw/zinc/36/80/55/141368055.db2.gz PSKYLMCOEBEHPA-QMMMGPOBSA-N 0 0 341.418 1.089 10 0 EDAERN C[C@H](C(=O)N1CCC(Oc2ncccc2F)CC1)N1CCOCC1 ZINC000333757817 141374455 /nfs/dbraw/zinc/37/44/55/141374455.db2.gz UZFGBYIAMPEQMN-CYBMUJFWSA-N 0 0 337.395 1.311 10 0 EDAERN CCO[C@@H](C)O[C@H]1[C@H]2OC(C)(C)O[C@H]2C(O)[C@@H]2OC(C)(C)O[C@H]21 ZINC000103560139 286192591 /nfs/dbraw/zinc/19/25/91/286192591.db2.gz VPKJZKUJGTXJPV-DRVMCWJPSA-N 0 0 332.393 1.169 10 0 in-vitro EDAERN COc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000092320860 286321665 /nfs/dbraw/zinc/32/16/65/286321665.db2.gz LWQKNECFELXOFO-NSHDSACASA-N 0 0 347.350 1.324 10 0 EDAERN C[C@@H](NC(=O)NCCCS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 ZINC000066893338 287244528 /nfs/dbraw/zinc/24/45/28/287244528.db2.gz WUZFEUWMQSFQDJ-HIFRSBDPSA-N 0 0 340.445 1.717 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1cccc(C(N)=O)c1 ZINC000073670812 287262654 /nfs/dbraw/zinc/26/26/54/287262654.db2.gz FDNRJFJNGZVPOF-OAHLLOKOSA-N 0 0 346.431 1.328 10 0 EDAERN CC[C@@](C)(O)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171599714 287394735 /nfs/dbraw/zinc/39/47/35/287394735.db2.gz LPNZMKNWMKEKEW-IAQYHMDHSA-N 0 0 328.434 1.611 10 0 EDAERN COC[C@@H](C)NC(=O)COc1c(C)cc(Br)cc1CO ZINC000166998833 226176281 /nfs/dbraw/zinc/17/62/81/226176281.db2.gz FABXEZHEDRVNEF-SNVBAGLBSA-N 0 0 346.221 1.780 10 0 EDAERN Cc1nn(C)c(Cl)c1Cn1cc(N)c(=O)c(Br)c1 ZINC000166828055 226171196 /nfs/dbraw/zinc/17/11/96/226171196.db2.gz PLIMGSMBEJRZCL-UHFFFAOYSA-N 0 0 331.601 1.937 10 0 EDAERN C[C@H](O)[C@H]1CCN(S(=O)(=O)c2cc(C(N)=S)ccc2Cl)C1 ZINC000167762386 226198183 /nfs/dbraw/zinc/19/81/83/226198183.db2.gz NXDLIGYJGFZSCF-WPRPVWTQSA-N 0 0 348.877 1.366 10 0 EDAERN CCc1nn(CC)c(CN2CCOC[C@@H]2CO)c1Br ZINC000168761900 226222453 /nfs/dbraw/zinc/22/24/53/226222453.db2.gz KPMBFJTXINFANN-JTQLQIEISA-N 0 0 332.242 1.421 10 0 EDAERN CCn1cc(Br)cc1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000168904021 226227058 /nfs/dbraw/zinc/22/70/58/226227058.db2.gz WQVITHWIJYOSDT-GXSJLCMTSA-N 0 0 345.193 1.019 10 0 EDAERN NC(=O)c1nccnc1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000169093871 226232006 /nfs/dbraw/zinc/23/20/06/226232006.db2.gz MINNXSIWWSQVDX-SNVBAGLBSA-N 0 0 338.289 1.479 10 0 EDAERN C[C@H](NS(=O)(=O)Cc1cccc(F)c1)c1nnc2n1CCCC2 ZINC000121727324 221916373 /nfs/dbraw/zinc/91/63/73/221916373.db2.gz AVDWHBIMIMTYKF-NSHDSACASA-N 0 0 338.408 1.934 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc3c2oc(=O)n3C)C[C@H]1C ZINC000122090749 222012751 /nfs/dbraw/zinc/01/27/51/222012751.db2.gz HRUSTAGNNZGNSS-CYBMUJFWSA-N 0 0 347.415 1.314 10 0 EDAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123160334 222227016 /nfs/dbraw/zinc/22/70/16/222227016.db2.gz JZYLYMCGILCQDF-HZPDHXFCSA-N 0 0 331.416 1.852 10 0 EDAERN CCc1nnc(CN2CCC(c3nnc4ccccn43)CC2)n1C ZINC000171821105 227299263 /nfs/dbraw/zinc/29/92/63/227299263.db2.gz PRZGQSNBIKOTFX-UHFFFAOYSA-N 0 0 325.420 1.800 10 0 EDAERN CN(C)C(=O)c1cccc(CCNC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000175583454 272937148 /nfs/dbraw/zinc/93/71/48/272937148.db2.gz IIIUCWRREWYJTA-IAGOWNOFSA-N 0 0 347.459 1.781 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181114684 272944115 /nfs/dbraw/zinc/94/41/15/272944115.db2.gz VEIUWLODRAHRQB-ORAYPTAESA-N 0 0 345.443 1.377 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCCC3(C1)OCCO3)CC2 ZINC000181741356 272944470 /nfs/dbraw/zinc/94/44/70/272944470.db2.gz AOUBOZVPCDDGRF-CYBMUJFWSA-N 0 0 349.435 1.265 10 0 EDAERN CC(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176105777 276054612 /nfs/dbraw/zinc/05/46/12/276054612.db2.gz ZDMOJNHXWQZAST-AWEZNQCLSA-N 0 0 327.388 1.991 10 0 EDAERN C=CC(=O)NCCC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000163994922 277818164 /nfs/dbraw/zinc/81/81/64/277818164.db2.gz XOPAAPBARYWONR-HNNXBMFYSA-N 0 0 332.400 1.798 10 0 EDAERN CC(C)(C)OC(=O)[C@H]1CCN([C@H](C(=O)[O-])c2cccs2)[C@H]1[NH3+] ZINC000100339196 278455606 /nfs/dbraw/zinc/45/56/06/278455606.db2.gz UQYYJSCJKCMPTO-ZMLRMANQSA-N 0 0 326.418 1.822 10 0 EDAERN C[C@]1(C(=O)N[C@H]2CCCn3ncnc32)Cc2ccccc2C(=O)O1 ZINC000177601570 280149306 /nfs/dbraw/zinc/14/93/06/280149306.db2.gz BQZGROATIDKAQY-SUMWQHHRSA-N 0 0 326.356 1.401 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)c2nccs2)CC1 ZINC000187029875 280204573 /nfs/dbraw/zinc/20/45/73/280204573.db2.gz YGRGFJQINHPLIQ-CHWSQXEVSA-N 0 0 326.466 1.345 10 0 EDAERN CC(C)c1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(O)c(C(C)C)c1 ZINC000180276279 280571900 /nfs/dbraw/zinc/57/19/00/280571900.db2.gz GSQVGFOMUJKURM-OAHLLOKOSA-N 0 0 334.416 1.965 10 0 EDAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000173330346 281194113 /nfs/dbraw/zinc/19/41/13/281194113.db2.gz GMUMBEOGKOJNQK-QWHCGFSZSA-N 0 0 326.400 1.622 10 0 EDAERN Cc1nscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000329914047 294010400 /nfs/dbraw/zinc/01/04/00/294010400.db2.gz CGSZAEXZYHQHJC-STQMWFEESA-N 0 0 349.435 1.926 10 0 EDAERN CO[C@H](C)CNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000189613289 294278279 /nfs/dbraw/zinc/27/82/79/294278279.db2.gz QNEXXQGQUUHXLL-ABAIWWIYSA-N 0 0 347.440 1.834 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000183744115 302856625 /nfs/dbraw/zinc/85/66/25/302856625.db2.gz SWPBUJDRSYZAQL-CQSZACIVSA-N 0 0 337.401 1.757 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCCOCC(F)(F)F)C2)cn1 ZINC000172115440 302946880 /nfs/dbraw/zinc/94/68/80/302946880.db2.gz ZFAZHTJRAGYKCT-LLVKDONJSA-N 0 0 334.342 1.888 10 0 EDAERN Cc1oc(Br)cc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000396657553 303855113 /nfs/dbraw/zinc/85/51/13/303855113.db2.gz MYLHIRVAYIMHHE-LLVKDONJSA-N 0 0 343.221 1.897 10 0 EDAERN COCCNC(=O)CSc1nnc2c3cc(C)ccc3[nH]c2n1 ZINC000004861445 440929557 /nfs/dbraw/zinc/92/95/57/440929557.db2.gz NDLWMQDEHJOCGY-UHFFFAOYSA-N 0 0 331.401 1.669 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccn2)[C@H](C(=O)[O-])C1 ZINC000008698913 441097768 /nfs/dbraw/zinc/09/77/68/441097768.db2.gz VMAIGYCXMUELCJ-KGLIPLIRSA-N 0 0 335.404 1.881 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1F ZINC000081073832 441228421 /nfs/dbraw/zinc/22/84/21/441228421.db2.gz CJNUIYUJCFNTEX-JTQLQIEISA-N 0 0 328.344 1.678 10 0 EDAERN CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000081442628 441270159 /nfs/dbraw/zinc/27/01/59/441270159.db2.gz LKAQUIFYBHOZEB-ZBFHGGJFSA-N 0 0 347.459 1.590 10 0 EDAERN c1cc(-c2noc(CN3CCCN(c4cccnn4)CC3)n2)co1 ZINC000105800567 441273277 /nfs/dbraw/zinc/27/32/77/441273277.db2.gz YSNIICWIQOFTGZ-UHFFFAOYSA-N 0 0 326.360 1.832 10 0 EDAERN COCCN1CCN(CC(=O)N(Cc2ccc(C)o2)C2CC2)C[C@H]1C ZINC000105833970 441287721 /nfs/dbraw/zinc/28/77/21/441287721.db2.gz QEPHUGQHJBNXDI-OAHLLOKOSA-N 0 0 349.475 1.732 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)o2)c(C)o1 ZINC000081665504 441299834 /nfs/dbraw/zinc/29/98/34/441299834.db2.gz FMYNWLQNHQQCHP-SECBINFHSA-N 0 0 326.374 1.889 10 0 EDAERN COc1ccccc1NC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105883165 441305297 /nfs/dbraw/zinc/30/52/97/441305297.db2.gz UOJWHCSPCTZKLX-CQSZACIVSA-N 0 0 329.404 1.637 10 0 EDAERN Cc1nc(CN2CCN(C[C@@H](O)COC(C)(C)C)CC2)oc1C ZINC000105894290 441310547 /nfs/dbraw/zinc/31/05/47/441310547.db2.gz FYTVLIDWBIPDDY-OAHLLOKOSA-N 0 0 325.453 1.585 10 0 EDAERN C[C@H](CNC(=O)c1ncccc1OCC(F)(F)F)N1CCOCC1 ZINC000084168434 441385093 /nfs/dbraw/zinc/38/50/93/441385093.db2.gz FSBZBLLEXAPQRT-LLVKDONJSA-N 0 0 347.337 1.473 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083702779 441368689 /nfs/dbraw/zinc/36/86/89/441368689.db2.gz UQIYJYKAKAAOSR-CYBMUJFWSA-N 0 0 336.440 1.369 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000083754920 441375073 /nfs/dbraw/zinc/37/50/73/441375073.db2.gz NTWMLWYLYKKZFY-AWEZNQCLSA-N 0 0 342.403 1.242 10 0 EDAERN CSc1cccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000083754925 441375221 /nfs/dbraw/zinc/37/52/21/441375221.db2.gz XLISRHAYTAYJKA-CYBMUJFWSA-N 0 0 345.428 1.898 10 0 EDAERN CC(=O)Nc1ccc(-n2cnc(C(=O)NC[C@H]3CCCO3)c2)nc1 ZINC000065196821 441406754 /nfs/dbraw/zinc/40/67/54/441406754.db2.gz JLNZPWRWTGZDGI-CYBMUJFWSA-N 0 0 329.360 1.135 10 0 EDAERN CCOCCCNC(=O)N1CC[C@@]2(C1)c1cc(OC)ccc1NC2=O ZINC000065249060 441410578 /nfs/dbraw/zinc/41/05/78/441410578.db2.gz KRGJKKDUDKCVJC-GOSISDBHSA-N 0 0 347.415 1.727 10 0 EDAERN O=C(NCc1ccc(F)cc1F)C1CCN(c2cn[nH]c(=O)c2)CC1 ZINC000065311217 441416471 /nfs/dbraw/zinc/41/64/71/441416471.db2.gz XQQHANZSTVGDFH-UHFFFAOYSA-N 0 0 348.353 1.581 10 0 EDAERN NC(=O)CN(Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000084963668 441427624 /nfs/dbraw/zinc/42/76/24/441427624.db2.gz MMVQXWHVRPAMJO-SFHVURJKSA-N 0 0 328.412 1.552 10 0 EDAERN C[C@H](CNC(=O)N(C)CCN(C)c1ccccc1)N1CCOCC1 ZINC000107731421 441427839 /nfs/dbraw/zinc/42/78/39/441427839.db2.gz PREVXQDEENXCJB-MRXNPFEDSA-N 0 0 334.464 1.485 10 0 EDAERN COc1ccc(CN2C[C@H]3CN(Cc4ncc[nH]4)CCN3C2=O)cc1 ZINC000085436194 441440164 /nfs/dbraw/zinc/44/01/64/441440164.db2.gz AVWKRWSJWFFSBM-OAHLLOKOSA-N 0 0 341.415 1.540 10 0 EDAERN O=S(=O)(NC[C@@H]1CCC[C@@H]1O)c1cnc(Cl)c(Cl)c1 ZINC000089169725 441528139 /nfs/dbraw/zinc/52/81/39/441528139.db2.gz GXYREISDTUKEAX-XVKPBYJWSA-N 0 0 325.217 1.828 10 0 EDAERN COc1ccc(CCC(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000112656431 441552840 /nfs/dbraw/zinc/55/28/40/441552840.db2.gz CAMWBCOORRGPFE-ZDUSSCGKSA-N 0 0 330.388 1.359 10 0 EDAERN CCOc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000112742590 441556821 /nfs/dbraw/zinc/55/68/21/441556821.db2.gz ZMPSMMYWUPXOIX-CYBMUJFWSA-N 0 0 345.403 1.500 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000054452205 441578778 /nfs/dbraw/zinc/57/87/78/441578778.db2.gz QPUDNEURESYORS-TZMCWYRMSA-N 0 0 336.819 1.970 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccc(C=O)cc3)CCO2)c1 ZINC000113184607 441585736 /nfs/dbraw/zinc/58/57/36/441585736.db2.gz GSCCTTQHEBXTFT-KRWDZBQOSA-N 0 0 343.383 1.310 10 0 EDAERN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000113234544 441591708 /nfs/dbraw/zinc/59/17/08/441591708.db2.gz ZUHXMYFDXIIDHH-UKRRQHHQSA-N 0 0 326.462 1.099 10 0 EDAERN CCC[C@H](C)CS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000113291805 441598684 /nfs/dbraw/zinc/59/86/84/441598684.db2.gz NBKVSYAYAHGOFF-BBRMVZONSA-N 0 0 343.493 1.967 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)NC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000113403406 441606309 /nfs/dbraw/zinc/60/63/09/441606309.db2.gz ULGIQDFSBXFNII-CYBMUJFWSA-N 0 0 346.431 1.797 10 0 EDAERN CC(=O)O[C@H](CN1CCCC1=O)CN1CCN(c2ccccc2)CC1 ZINC000090760048 441642771 /nfs/dbraw/zinc/64/27/71/441642771.db2.gz RNKTUCHGXMXVSR-SFHVURJKSA-N 0 0 345.443 1.363 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3ccccc3oc1=O)CC2 ZINC000114870598 441693691 /nfs/dbraw/zinc/69/36/91/441693691.db2.gz WABJRYAJQASLCP-LBPRGKRZSA-N 0 0 338.367 1.692 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C)CC2 ZINC000114905079 441695906 /nfs/dbraw/zinc/69/59/06/441695906.db2.gz PKCQRFDBJRRHBC-LBPRGKRZSA-N 0 0 342.403 1.384 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091369617 441697365 /nfs/dbraw/zinc/69/73/65/441697365.db2.gz OPCOGQSJRDOXIO-RISCZKNCSA-N 0 0 349.460 1.674 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCOc1ccccc1C)CC2 ZINC000114939148 441700877 /nfs/dbraw/zinc/70/08/77/441700877.db2.gz VEZKBADAEBNTLY-AWEZNQCLSA-N 0 0 343.431 1.842 10 0 EDAERN CCC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000136543846 441704013 /nfs/dbraw/zinc/70/40/13/441704013.db2.gz BMWTXDINTALMQC-ZFWWWQNUSA-N 0 0 332.400 1.885 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000121436898 441705443 /nfs/dbraw/zinc/70/54/43/441705443.db2.gz WSRFGVWEFLLHOZ-SECBINFHSA-N 0 0 343.305 1.170 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@@H](C)O)c1cccc(Br)c1 ZINC000136611436 441706376 /nfs/dbraw/zinc/70/63/76/441706376.db2.gz HJUDXAQCNQRITF-KCJUWKMLSA-N 0 0 330.178 1.550 10 0 EDAERN Cc1cnn(CCNC(=O)c2cc(N3CCCC3=O)ccc2F)c1 ZINC000121443255 441706763 /nfs/dbraw/zinc/70/67/63/441706763.db2.gz KPIREOOJAUJFDZ-UHFFFAOYSA-N 0 0 330.363 1.887 10 0 EDAERN C[C@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)C(=O)c1cccc(F)c1 ZINC000173330204 441714826 /nfs/dbraw/zinc/71/48/26/441714826.db2.gz XLNHHYAADLRCRK-PBHICJAKSA-N 0 0 348.418 1.968 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccnc1Br)[C@@H]1CCCO1 ZINC000091194646 441672006 /nfs/dbraw/zinc/67/20/06/441672006.db2.gz GCWXXSVFFTZGFZ-WPRPVWTQSA-N 0 0 342.193 1.466 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2nccs2)CC1 ZINC000115664465 441768695 /nfs/dbraw/zinc/76/86/95/441768695.db2.gz KYRKJNLXGKJQOJ-UHFFFAOYSA-N 0 0 348.476 1.521 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(-n3cncn3)c1)CC2 ZINC000115387366 441733896 /nfs/dbraw/zinc/73/38/96/441733896.db2.gz LJAKIQPDKGVZEB-ZDUSSCGKSA-N 0 0 337.387 1.166 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccncc3CC)CC2)n1 ZINC000136955262 441735191 /nfs/dbraw/zinc/73/51/91/441735191.db2.gz GKAZNTQKYDPDGC-UHFFFAOYSA-N 0 0 341.415 1.795 10 0 EDAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C ZINC000056696593 441735304 /nfs/dbraw/zinc/73/53/04/441735304.db2.gz IFZYFPWRIHYTMH-LLVKDONJSA-N 0 0 349.250 1.498 10 0 EDAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121576047 441735899 /nfs/dbraw/zinc/73/58/99/441735899.db2.gz OVVBDBCYOCGFOK-SGTLLEGYSA-N 0 0 328.368 1.337 10 0 EDAERN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091784595 441742060 /nfs/dbraw/zinc/74/20/60/441742060.db2.gz YGEQPLDYXIESOT-AWEZNQCLSA-N 0 0 348.790 1.160 10 0 EDAERN CCn1ccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)n1 ZINC000091819468 441746097 /nfs/dbraw/zinc/74/60/97/441746097.db2.gz SNZPQJDMEBWIPS-UHFFFAOYSA-N 0 0 334.464 1.490 10 0 EDAERN COc1ccc(CN(C)C(=O)[C@H]2CNC(=O)C2)cc1OC(F)F ZINC000121640948 441747851 /nfs/dbraw/zinc/74/78/51/441747851.db2.gz NOGNHRLOPMQIGL-SNVBAGLBSA-N 0 0 328.315 1.391 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2c(C)nn(C)c2C)C1 ZINC000173474461 441763376 /nfs/dbraw/zinc/76/33/76/441763376.db2.gz TXZSAJIZSZHCKV-AWEZNQCLSA-N 0 0 335.452 1.627 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000042647179 441764385 /nfs/dbraw/zinc/76/43/85/441764385.db2.gz ZLIJNLPJWZHZIV-CVEARBPZSA-N 0 0 344.411 1.589 10 0 EDAERN O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1)NC1CC1 ZINC000158818917 441764670 /nfs/dbraw/zinc/76/46/70/441764670.db2.gz LBCXGWIPZBOGAK-DLBZAZTESA-N 0 0 333.476 1.626 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000121508447 441720899 /nfs/dbraw/zinc/72/08/99/441720899.db2.gz OGNGZKMOXQXVOP-NWDGAFQWSA-N 0 0 327.450 1.722 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NCC3CCCCC3)CCO2)[nH]1 ZINC000173353924 441722767 /nfs/dbraw/zinc/72/27/67/441722767.db2.gz AGOSZYMKZVRVCC-WFASDCNBSA-N 0 0 335.452 1.571 10 0 EDAERN C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1Cl ZINC000136798005 441724771 /nfs/dbraw/zinc/72/47/71/441724771.db2.gz RDXZDWQIXXYNAJ-QMMMGPOBSA-N 0 0 325.727 1.207 10 0 EDAERN COC(=O)[C@@H](NC(=O)c1cccc(-n2cncn2)c1)c1ccccc1 ZINC000115353375 441729544 /nfs/dbraw/zinc/72/95/44/441729544.db2.gz XTNRUTBHDXOAAB-INIZCTEOSA-N 0 0 336.351 1.911 10 0 EDAERN CCc1ccccc1NC(=O)CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173661138 441818095 /nfs/dbraw/zinc/81/80/95/441818095.db2.gz KMVMALHXLAFDSW-HNNXBMFYSA-N 0 0 329.404 1.688 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173663199 441818108 /nfs/dbraw/zinc/81/81/08/441818108.db2.gz QLEPLVCHOMIKMR-CYBMUJFWSA-N 0 0 335.795 1.779 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cnc4onc(C)c4c3)CCO2)[nH]1 ZINC000173527245 441778518 /nfs/dbraw/zinc/77/85/18/441778518.db2.gz JNMHRODHXLDLRQ-GFCCVEGCSA-N 0 0 328.332 1.171 10 0 EDAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000137896098 441780749 /nfs/dbraw/zinc/78/07/49/441780749.db2.gz GJGGURHPAQYZSX-ZFWWWQNUSA-N 0 0 335.452 1.614 10 0 EDAERN CCOc1ccc(CC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173548074 441787603 /nfs/dbraw/zinc/78/76/03/441787603.db2.gz WQTBYHDSXNWBDH-HNNXBMFYSA-N 0 0 330.388 1.654 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC000116124767 441795136 /nfs/dbraw/zinc/79/51/36/441795136.db2.gz VQHXIURNIUUBDT-ZDUSSCGKSA-N 0 0 333.413 1.453 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)NCCN2CCOCC2)cc1OC ZINC000042949763 441800868 /nfs/dbraw/zinc/80/08/68/441800868.db2.gz FSUUJXCBMSEONY-CYBMUJFWSA-N 0 0 337.420 1.396 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3ncccc3C)CCO2)[nH]1 ZINC000138993130 441802056 /nfs/dbraw/zinc/80/20/56/441802056.db2.gz ICSAPWXBFSWPJT-CYBMUJFWSA-N 0 0 330.392 1.354 10 0 EDAERN CN(CCNC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000173598957 441802746 /nfs/dbraw/zinc/80/27/46/441802746.db2.gz DACNCSMIJDVMJV-MRXNPFEDSA-N 0 0 328.420 1.761 10 0 EDAERN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173624231 441807522 /nfs/dbraw/zinc/80/75/22/441807522.db2.gz URTHGIDOMOCPPT-RYUDHWBXSA-N 0 0 336.440 1.135 10 0 EDAERN COCc1csc(NC(=O)CN2CCN(c3ccccn3)CC2)n1 ZINC000173626738 441808565 /nfs/dbraw/zinc/80/85/65/441808565.db2.gz QWERAPRTHYQLFY-UHFFFAOYSA-N 0 0 347.444 1.445 10 0 EDAERN COCc1ccccc1CNC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116311833 441810911 /nfs/dbraw/zinc/81/09/11/441810911.db2.gz RDFSFFYALMPFKA-MRXNPFEDSA-N 0 0 342.443 1.672 10 0 EDAERN Cn1cc([C@H]2CCN(CCNS(=O)(=O)c3ccccc3)C2)cn1 ZINC000116322644 441813315 /nfs/dbraw/zinc/81/33/15/441813315.db2.gz WAGZFLMJOLOMBO-AWEZNQCLSA-N 0 0 334.445 1.188 10 0 EDAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)o1 ZINC000116328602 441813632 /nfs/dbraw/zinc/81/36/32/441813632.db2.gz KAOCSIYAKUQUOU-LLVKDONJSA-N 0 0 334.397 1.913 10 0 EDAERN C[C@@H](CNC(=O)N[C@H](CCCO)c1ccccc1)N1CCOCC1 ZINC000077773945 441857267 /nfs/dbraw/zinc/85/72/67/441857267.db2.gz JAGUNLPTRRTCJW-DOTOQJQBSA-N 0 0 335.448 1.520 10 0 EDAERN CCC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1)[NH+](C)C ZINC000122711333 441859987 /nfs/dbraw/zinc/85/99/87/441859987.db2.gz LQVGXLVCDUSPFM-KGLIPLIRSA-N 0 0 334.468 1.334 10 0 EDAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000117059100 441864698 /nfs/dbraw/zinc/86/46/98/441864698.db2.gz LXZGMUDKLQFRFV-GFCCVEGCSA-N 0 0 340.445 1.639 10 0 EDAERN CC(C)[C@@H](C)NC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117469370 441872740 /nfs/dbraw/zinc/87/27/40/441872740.db2.gz YLTGAAMQQIVEEI-SJORKVTESA-N 0 0 349.475 1.798 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCc1c[nH]nc1C ZINC000173688798 441824587 /nfs/dbraw/zinc/82/45/87/441824587.db2.gz XCMBEFLULLAJPX-OAHLLOKOSA-N 0 0 335.452 1.693 10 0 EDAERN COC[C@@H](O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000173690059 441824667 /nfs/dbraw/zinc/82/46/67/441824667.db2.gz XKBBXUUSYIGTFM-INIZCTEOSA-N 0 0 331.416 1.467 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116587334 441831835 /nfs/dbraw/zinc/83/18/35/441831835.db2.gz UGNSWSFRVBTNQJ-ZDUSSCGKSA-N 0 0 342.399 1.521 10 0 EDAERN CN(CCCNC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173769177 441837967 /nfs/dbraw/zinc/83/79/67/441837967.db2.gz PTHMKYIQYPGMFQ-SFHVURJKSA-N 0 0 346.475 1.629 10 0 EDAERN COc1ccc([C@H](C)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173810246 441842628 /nfs/dbraw/zinc/84/26/28/441842628.db2.gz RNOLNWORPJZMTJ-RVKKMQEKSA-N 0 0 332.444 1.978 10 0 EDAERN C[C@@H]1CN(C(=O)CSCc2ccccn2)C[C@@H]1N1CCOCC1 ZINC000173843569 441848784 /nfs/dbraw/zinc/84/87/84/441848784.db2.gz GNPWHKYIAQORHP-ZBFHGGJFSA-N 0 0 335.473 1.494 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCCCSC)CCO2)[nH]1 ZINC000141346470 441850346 /nfs/dbraw/zinc/85/03/46/441850346.db2.gz DHCCCCCJNFFLTN-NSHDSACASA-N 0 0 327.454 1.593 10 0 EDAERN C[C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@H]1N1CCOCC1 ZINC000173870497 441852542 /nfs/dbraw/zinc/85/25/42/441852542.db2.gz ZBCQUGOJKDPTPL-QMTHXVAHSA-N 0 0 328.334 1.897 10 0 EDAERN COc1ccc(C(F)(F)C(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000119045817 441913437 /nfs/dbraw/zinc/91/34/37/441913437.db2.gz LMQTZVHLGCNSQS-GFCCVEGCSA-N 0 0 328.359 1.624 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](CC)c3ccncc3)CCO2)[nH]1 ZINC000119047243 441913684 /nfs/dbraw/zinc/91/36/84/441913684.db2.gz YTYRYFARNWDHPN-KBPBESRZSA-N 0 0 344.419 1.996 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@@H](C)N2CCc3sccc3C2)c1 ZINC000118061857 441884731 /nfs/dbraw/zinc/88/47/31/441884731.db2.gz BSKASXLRXGPYSR-CQSZACIVSA-N 0 0 347.488 1.999 10 0 EDAERN COc1ccccc1CN(CCO)C(=O)NCCn1cc(C)cn1 ZINC000118078056 441885924 /nfs/dbraw/zinc/88/59/24/441885924.db2.gz KKCVHISEYYTODL-UHFFFAOYSA-N 0 0 332.404 1.404 10 0 EDAERN COC(=O)CCCS(=O)(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000118433404 441896282 /nfs/dbraw/zinc/89/62/82/441896282.db2.gz SSWUSLPKBWNTGZ-CYBMUJFWSA-N 0 0 329.422 1.111 10 0 EDAERN O=C1N[C@@H](c2ccccc2OCc2cccnc2)N2CCOC[C@@H]12 ZINC000093883642 441898634 /nfs/dbraw/zinc/89/86/34/441898634.db2.gz RQZYYCHFOFYRFE-DOTOQJQBSA-N 0 0 325.368 1.490 10 0 EDAERN COc1sc([C@H]2NC(=O)[C@H]3COCCN32)cc1Br ZINC000093883810 441898819 /nfs/dbraw/zinc/89/88/19/441898819.db2.gz FQJDZRFCEZUJRW-APPZFPTMSA-N 0 0 333.207 1.348 10 0 EDAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)C1 ZINC000150914105 441973675 /nfs/dbraw/zinc/97/36/75/441973675.db2.gz WFTFWKYMSBHMMC-KURKYZTESA-N 0 0 347.459 1.754 10 0 EDAERN CC(C)(C)NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1 ZINC000095562659 441953687 /nfs/dbraw/zinc/95/36/87/441953687.db2.gz IVYWKCAOPCHVMX-UHFFFAOYSA-N 0 0 346.416 1.450 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncnn1C ZINC000151058882 441998718 /nfs/dbraw/zinc/99/87/18/441998718.db2.gz BVANPGFZPDHTAT-LBPRGKRZSA-N 0 0 335.795 1.862 10 0 EDAERN O=C(N[C@@H]1CCCC[C@H]1CO)C1CCN(C(=O)N2CCCC2)CC1 ZINC000150983150 441986030 /nfs/dbraw/zinc/98/60/30/441986030.db2.gz ZCQZUTLLPYSLBG-JKSUJKDBSA-N 0 0 337.464 1.582 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175112266 442005438 /nfs/dbraw/zinc/00/54/38/442005438.db2.gz PFAFRGPYUBAGQZ-ZFWWWQNUSA-N 0 0 329.404 1.497 10 0 EDAERN Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175116498 442006367 /nfs/dbraw/zinc/00/63/67/442006367.db2.gz VZMHMANRIPPDSV-KBPBESRZSA-N 0 0 329.404 1.668 10 0 EDAERN O=C(NCCN1CCOCC1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000151135427 442011138 /nfs/dbraw/zinc/01/11/38/442011138.db2.gz DQFALFNSEYUWBW-CQSZACIVSA-N 0 0 345.365 1.791 10 0 EDAERN C[C@H](CNS(=O)(=O)/C=C/c1ccc(F)cc1)N1CCOCC1 ZINC000175214890 442019650 /nfs/dbraw/zinc/01/96/50/442019650.db2.gz RAOJFSRFDPKSKP-ASJRZHAZSA-N 0 0 328.409 1.437 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2nnc3n2CCCC3)C1 ZINC000151196558 442022691 /nfs/dbraw/zinc/02/26/91/442022691.db2.gz PAFCJKLALFMBAW-GFCCVEGCSA-N 0 0 349.435 1.488 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)[nH]1 ZINC000175488973 442072868 /nfs/dbraw/zinc/07/28/68/442072868.db2.gz HSEXJTSIHFFSLP-CQSZACIVSA-N 0 0 331.376 1.144 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000162750945 442119798 /nfs/dbraw/zinc/11/97/98/442119798.db2.gz QXYPHCOFDPBHLX-NSHDSACASA-N 0 0 328.727 1.582 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c(Cl)cc1F ZINC000120585462 442099122 /nfs/dbraw/zinc/09/91/22/442099122.db2.gz YLACTEAWHYECID-SECBINFHSA-N 0 0 344.799 1.672 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cncc(Br)c1 ZINC000126401450 442108422 /nfs/dbraw/zinc/10/84/22/442108422.db2.gz NXXFXQZWUOABSA-LLVKDONJSA-N 0 0 341.209 1.929 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000163592865 442175897 /nfs/dbraw/zinc/17/58/97/442175897.db2.gz CSYQUMJTRHGVTH-HNNXBMFYSA-N 0 0 330.384 1.668 10 0 EDAERN O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121113989 442178496 /nfs/dbraw/zinc/17/84/96/442178496.db2.gz DQYQSMQAASAKOX-SECBINFHSA-N 0 0 332.278 1.349 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000121148157 442183217 /nfs/dbraw/zinc/18/32/17/442183217.db2.gz CFJQNHYCAKLWQW-HNAYVOBHSA-N 0 0 346.427 1.708 10 0 EDAERN O=C(C[C@H]1C(=O)Nc2ccccc21)N1CCC[C@H](Cn2cncn2)C1 ZINC000127250595 442186195 /nfs/dbraw/zinc/18/61/95/442186195.db2.gz WJDZACAOYJCBIV-DZGCQCFKSA-N 0 0 339.399 1.643 10 0 EDAERN O=C(Nc1ccccc1OCC(F)F)C(=O)N1CCC[C@@H]1CO ZINC000121240998 442195220 /nfs/dbraw/zinc/19/52/20/442195220.db2.gz FRQAKBIGRNUWME-SNVBAGLBSA-N 0 0 328.315 1.252 10 0 EDAERN Cc1ccc(F)c(OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000164421700 442196517 /nfs/dbraw/zinc/19/65/17/442196517.db2.gz YDLDXMWWQFHWNO-ZBFHGGJFSA-N 0 0 336.407 1.692 10 0 EDAERN Cn1c(CN2CCOC[C@H]2CC(=O)c2ccco2)nnc1C1CC1 ZINC000120926720 442153174 /nfs/dbraw/zinc/15/31/74/442153174.db2.gz MONVQUAWXNKMJW-CYBMUJFWSA-N 0 0 330.388 1.759 10 0 EDAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)C(=O)N1CCC[C@H]1CO ZINC000120936344 442153748 /nfs/dbraw/zinc/15/37/48/442153748.db2.gz CQUCZQXROTWYJM-VIFPVBQESA-N 0 0 348.733 1.863 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000152039419 442156686 /nfs/dbraw/zinc/15/66/86/442156686.db2.gz JRKDQVHXGREQAK-ZDUSSCGKSA-N 0 0 333.367 1.464 10 0 EDAERN CCc1nnc(-c2ccc(NC(=O)NC[C@H]3CN(C)CCO3)cc2)o1 ZINC000176010050 442161061 /nfs/dbraw/zinc/16/10/61/442161061.db2.gz OQFDVDIXZAZUQW-AWEZNQCLSA-N 0 0 345.403 1.751 10 0 EDAERN COc1ccc(COCCCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000127520049 442209079 /nfs/dbraw/zinc/20/90/79/442209079.db2.gz YOHVAZWNNHNPET-OAHLLOKOSA-N 0 0 344.415 1.715 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000176352192 442212998 /nfs/dbraw/zinc/21/29/98/442212998.db2.gz XOCDIRNDWQPWIY-CYBMUJFWSA-N 0 0 340.449 1.282 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176351950 442213006 /nfs/dbraw/zinc/21/30/06/442213006.db2.gz OSZDCXQZXFNUEO-CQSZACIVSA-N 0 0 327.388 1.829 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176372457 442215045 /nfs/dbraw/zinc/21/50/45/442215045.db2.gz ARKRXAFUDZNIRM-HNNXBMFYSA-N 0 0 335.367 1.582 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000127632458 442216664 /nfs/dbraw/zinc/21/66/64/442216664.db2.gz NBYHDTMSMOGELA-HNNXBMFYSA-N 0 0 339.399 1.744 10 0 EDAERN COC[C@@H](C)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000166476534 442217284 /nfs/dbraw/zinc/21/72/84/442217284.db2.gz DNWPFWDFVRGEDL-GHMZBOCLSA-N 0 0 346.221 1.588 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000166821953 442218529 /nfs/dbraw/zinc/21/85/29/442218529.db2.gz QDRRRVRPKSMJAV-SNVBAGLBSA-N 0 0 327.743 1.155 10 0 EDAERN Cc1cccc(N2CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)c1C ZINC000170241141 442229904 /nfs/dbraw/zinc/22/99/04/442229904.db2.gz KYAWKMVCEDQGOD-HNNXBMFYSA-N 0 0 339.443 1.875 10 0 EDAERN CN(C(=O)NCCc1nccs1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152620937 442231304 /nfs/dbraw/zinc/23/13/04/442231304.db2.gz IWMMLAFYFASOCS-CYBMUJFWSA-N 0 0 346.460 1.786 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2ccc[nH]c2=O)N2CCOCC2)s1 ZINC000176573241 442236009 /nfs/dbraw/zinc/23/60/09/442236009.db2.gz KRNPUJOPLQDPPT-AWEZNQCLSA-N 0 0 347.440 1.960 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1ccccc1O)CC2 ZINC000152722162 442240083 /nfs/dbraw/zinc/24/00/83/442240083.db2.gz MOZUTZCEWUGYKB-GFCCVEGCSA-N 0 0 330.388 1.617 10 0 EDAERN COc1ccc([C@@H](C)C(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1 ZINC000176880855 442266504 /nfs/dbraw/zinc/26/65/04/442266504.db2.gz SGKCUQHLIJNPDK-WBMJQRKESA-N 0 0 334.416 1.586 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCC(=O)N1CCCCC1 ZINC000153236232 442269751 /nfs/dbraw/zinc/26/97/51/442269751.db2.gz DWWFRKQDTPOJHE-CYBMUJFWSA-N 0 0 348.451 1.377 10 0 EDAERN C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000176928248 442275200 /nfs/dbraw/zinc/27/52/00/442275200.db2.gz JPXRSJODCDFSSL-OLZOCXBDSA-N 0 0 335.429 1.730 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCCCNC(=O)C1CCC1)C(C)C ZINC000177032262 442288320 /nfs/dbraw/zinc/28/83/20/442288320.db2.gz YFZTVFSMQAFZRG-INIZCTEOSA-N 0 0 339.480 1.596 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)OCC(F)(F)F ZINC000177149425 442305500 /nfs/dbraw/zinc/30/55/00/442305500.db2.gz LZLSDYYNDPNIIC-LLVKDONJSA-N 0 0 348.325 1.471 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@@H]1C ZINC000153078694 442259697 /nfs/dbraw/zinc/25/96/97/442259697.db2.gz NOYRBFWVHCZCER-AWEZNQCLSA-N 0 0 343.431 1.655 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@H]1C ZINC000153081409 442260367 /nfs/dbraw/zinc/26/03/67/442260367.db2.gz MPYSJHBNDLBJTQ-CYBMUJFWSA-N 0 0 329.404 1.264 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)CCOCCOC)CC2)cn1 ZINC000154156164 442324381 /nfs/dbraw/zinc/32/43/81/442324381.db2.gz HQKMEBQRJSPRIJ-UHFFFAOYSA-N 0 0 345.465 1.075 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(C(N)=O)s3)C2)no1 ZINC000171235649 442331997 /nfs/dbraw/zinc/33/19/97/442331997.db2.gz PXANWEHKRHHCCO-JTQLQIEISA-N 0 0 334.401 1.633 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1 ZINC000171237053 442332028 /nfs/dbraw/zinc/33/20/28/442332028.db2.gz WDPAHEOPXYVTSF-LSDHHAIUSA-N 0 0 337.420 1.745 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCCn2ncnc21)C(=O)Nc1ccccc1 ZINC000177370750 442333341 /nfs/dbraw/zinc/33/33/41/442333341.db2.gz OIRKSXBEEWLBEN-AAEUAGOBSA-N 0 0 328.376 1.439 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000171393947 442344915 /nfs/dbraw/zinc/34/49/15/442344915.db2.gz SOUQIMGGFQDYAS-HUUCEWRRSA-N 0 0 329.356 1.306 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171396983 442345391 /nfs/dbraw/zinc/34/53/91/442345391.db2.gz RRXBUKLTIZXSDT-MRXNPFEDSA-N 0 0 340.383 1.925 10 0 EDAERN CCO[C@H](CCNC(=O)NC[C@@H]1CN(C)CCO1)C1CCCC1 ZINC000177486313 442348931 /nfs/dbraw/zinc/34/89/31/442348931.db2.gz GRULIWADKQHOJS-HZPDHXFCSA-N 0 0 327.469 1.602 10 0 EDAERN CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000153892350 442309433 /nfs/dbraw/zinc/30/94/33/442309433.db2.gz XFVGDWWZNYORJC-MRXNPFEDSA-N 0 0 333.432 1.254 10 0 EDAERN CC(C)c1nnc2n1C[C@H](N[C@@H](C(N)=O)c1ccc(F)cc1)CC2 ZINC000171121626 442315507 /nfs/dbraw/zinc/31/55/07/442315507.db2.gz UAQWMIFXKONHTO-UKRRQHHQSA-N 0 0 331.395 1.672 10 0 EDAERN CCN(CCCNC(=O)N1CCC[C@H]1C(=O)NC)c1ccccc1 ZINC000155209735 442381652 /nfs/dbraw/zinc/38/16/52/442381652.db2.gz QTZCCTHYQWGSQH-INIZCTEOSA-N 0 0 332.448 1.823 10 0 EDAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177790010 442384742 /nfs/dbraw/zinc/38/47/42/442384742.db2.gz CEAZAIRBNPMIMH-MRXNPFEDSA-N 0 0 337.387 1.093 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)CC(=O)N2 ZINC000171868523 442385987 /nfs/dbraw/zinc/38/59/87/442385987.db2.gz DMLWCBMYLQNQHN-GWCFXTLKSA-N 0 0 340.387 1.148 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)C[C@H]1N1CCOCC1 ZINC000177807117 442386747 /nfs/dbraw/zinc/38/67/47/442386747.db2.gz YMKLMNPUABYZET-DZGCQCFKSA-N 0 0 347.463 1.959 10 0 EDAERN O=C(Nc1ccc(Cl)cc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883613 442387296 /nfs/dbraw/zinc/38/72/96/442387296.db2.gz ZCKAAHLZJNLSRK-AWEZNQCLSA-N 0 0 348.790 1.403 10 0 EDAERN CC[C@@H](O)CCNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177837623 442390026 /nfs/dbraw/zinc/39/00/26/442390026.db2.gz HNDLFICMGQRIDN-WCQYABFASA-N 0 0 328.434 1.611 10 0 EDAERN COc1cc(CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)ccc1O ZINC000177920042 442395503 /nfs/dbraw/zinc/39/55/03/442395503.db2.gz JPAYLFGNDFXIQZ-NSHDSACASA-N 0 0 345.403 1.889 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cncc(-c2ccccc2)c1 ZINC000132668993 442397722 /nfs/dbraw/zinc/39/77/22/442397722.db2.gz FNPDMGVTWGWQJP-GOSISDBHSA-N 0 0 341.411 1.172 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)c2csnn2)c2cccs2)CCO1 ZINC000177976982 442399008 /nfs/dbraw/zinc/39/90/08/442399008.db2.gz MMKYHFBDQPVGAC-PWSUYJOCSA-N 0 0 338.458 1.791 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000171577683 442358718 /nfs/dbraw/zinc/35/87/18/442358718.db2.gz WAMYEXWEQVUGMW-CYBMUJFWSA-N 0 0 339.403 1.289 10 0 EDAERN CC[C@@](C)(O)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171599703 442361021 /nfs/dbraw/zinc/36/10/21/442361021.db2.gz LPNZMKNWMKEKEW-XHDPSFHLSA-N 0 0 328.434 1.611 10 0 EDAERN O=C(NCc1ccncc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172113079 442410578 /nfs/dbraw/zinc/41/05/78/442410578.db2.gz CGPODPUHZNACTL-GOSISDBHSA-N 0 0 340.427 1.642 10 0 EDAERN CC[C@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1CCOC ZINC000172230418 442426535 /nfs/dbraw/zinc/42/65/35/442426535.db2.gz UAVZOJPLMOTRSE-AWEZNQCLSA-N 0 0 328.416 1.813 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(O)c(OC)c1)CC2 ZINC000172306797 442440824 /nfs/dbraw/zinc/44/08/24/442440824.db2.gz WAYFDHMTKVVRET-LBPRGKRZSA-N 0 0 345.403 1.369 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(C)c(OC)c1)CC2 ZINC000172314333 442442857 /nfs/dbraw/zinc/44/28/57/442442857.db2.gz SDQGPBYYKFMOBE-CQSZACIVSA-N 0 0 343.431 1.972 10 0 EDAERN CC(C)c1noc(CCC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000134133544 442452490 /nfs/dbraw/zinc/45/24/90/442452490.db2.gz VSMMFXWCTXTIAD-GFCCVEGCSA-N 0 0 346.435 1.972 10 0 EDAERN CCOCCOCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172389468 442453962 /nfs/dbraw/zinc/45/39/62/442453962.db2.gz QYDKQHCVLZJQLT-UHFFFAOYSA-N 0 0 333.388 1.530 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172411834 442456157 /nfs/dbraw/zinc/45/61/57/442456157.db2.gz CPBDHFOANZADTR-CYBMUJFWSA-N 0 0 345.378 1.086 10 0 EDAERN CCc1noc2ncc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3O)cc12 ZINC000186208810 442486588 /nfs/dbraw/zinc/48/65/88/442486588.db2.gz GZXSMODNDPQSEC-HZMBPMFUSA-N 0 0 339.417 1.615 10 0 EDAERN O=C(Nc1cccnc1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186285932 442504398 /nfs/dbraw/zinc/50/43/98/442504398.db2.gz XQIPJXRNOYCXRX-JSGCOSHPSA-N 0 0 331.397 1.316 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1nc[nH]n1 ZINC000172616459 442505678 /nfs/dbraw/zinc/50/56/78/442505678.db2.gz OXLONWLSTBGMEK-AWEZNQCLSA-N 0 0 349.822 1.871 10 0 EDAERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCCNC(=O)[C@H]3C)c12 ZINC000191760609 442506249 /nfs/dbraw/zinc/50/62/49/442506249.db2.gz XWKXDDPODKIEEN-LLVKDONJSA-N 0 0 341.415 1.505 10 0 EDAERN CCOc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1Br ZINC000186304541 442508357 /nfs/dbraw/zinc/50/83/57/442508357.db2.gz DJMMHMZNTARYMG-QMMMGPOBSA-N 0 0 327.178 1.922 10 0 EDAERN O=C(COCc1ccccc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000172518697 442478102 /nfs/dbraw/zinc/47/81/02/442478102.db2.gz WKBTWQVHWMURGO-INIZCTEOSA-N 0 0 326.400 1.778 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)ccc1F ZINC000186177004 442478715 /nfs/dbraw/zinc/47/87/15/442478715.db2.gz LBEHGMTVSBNPHX-UHFFFAOYSA-N 0 0 326.393 1.423 10 0 EDAERN CCOC(=O)C[C@@H](C)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000134408645 442479157 /nfs/dbraw/zinc/47/91/57/442479157.db2.gz QXSNMYJECSWOKA-VXGBXAGGSA-N 0 0 337.424 1.564 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)cc2F)C1)C1CCC1 ZINC000186187646 442480708 /nfs/dbraw/zinc/48/07/08/442480708.db2.gz ZTFANWRAVGTSEN-UHFFFAOYSA-N 0 0 330.356 1.254 10 0 EDAERN COc1ccc2[nH]cc(CC(=O)N3CC[C@H](N4CCOCC4)C3)c2c1 ZINC000172756779 442536188 /nfs/dbraw/zinc/53/61/88/442536188.db2.gz KSGFBZDZAQLXCN-HNNXBMFYSA-N 0 0 343.427 1.652 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)cc2)C12CCOCC2 ZINC000186450046 442536964 /nfs/dbraw/zinc/53/69/64/442536964.db2.gz OFJOOYRCJLDSEH-GJZGRUSLSA-N 0 0 332.400 1.490 10 0 EDAERN OC[C@@H]1CCCN1c1cc(NCCCOC2CCOCC2)ncn1 ZINC000172768211 442539425 /nfs/dbraw/zinc/53/94/25/442539425.db2.gz RCGPGGZDDSRWIV-AWEZNQCLSA-N 0 0 336.436 1.435 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cnsn2)CC1 ZINC000191914028 442540053 /nfs/dbraw/zinc/54/00/53/442540053.db2.gz MKQCOLUTXHNRMP-UHFFFAOYSA-N 0 0 340.449 1.416 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCCc2c[nH]nc2C)C1 ZINC000191979319 442553228 /nfs/dbraw/zinc/55/32/28/442553228.db2.gz BMYFUWRDZVJDIN-UONOGXRCSA-N 0 0 348.407 1.514 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cnc(-c3ccccc3F)s2)C1 ZINC000186320015 442511338 /nfs/dbraw/zinc/51/13/38/442511338.db2.gz JZMHNDSQARPWJE-UHFFFAOYSA-N 0 0 349.387 1.536 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)cn1 ZINC000191788838 442511358 /nfs/dbraw/zinc/51/13/58/442511358.db2.gz UQLXWAQMDMBEDW-BBRMVZONSA-N 0 0 330.388 1.665 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1nc[nH]n1 ZINC000172645730 442513278 /nfs/dbraw/zinc/51/32/78/442513278.db2.gz UYTNEQBOKGVEMA-IUODEOHRSA-N 0 0 329.404 1.608 10 0 EDAERN CCOC[C@H](NC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1)C(C)C ZINC000191808348 442515319 /nfs/dbraw/zinc/51/53/19/442515319.db2.gz HWPFLPTYCSBNSX-QWHCGFSZSA-N 0 0 339.440 1.511 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2c2nc(C)no2)c(C)o1 ZINC000186346346 442516658 /nfs/dbraw/zinc/51/66/58/442516658.db2.gz PAQXUWCZPFVMCU-NSHDSACASA-N 0 0 327.362 1.350 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000186405349 442528134 /nfs/dbraw/zinc/52/81/34/442528134.db2.gz AMIGUHZKSFYBKH-GOSISDBHSA-N 0 0 334.416 1.681 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1cccc(-c2nccn2C)c1)C(C)C ZINC000178940294 442531369 /nfs/dbraw/zinc/53/13/69/442531369.db2.gz XSKUEIXVBAMKKV-CQSZACIVSA-N 0 0 329.404 1.979 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1nnc2n1CCCC2 ZINC000135253208 442573003 /nfs/dbraw/zinc/57/30/03/442573003.db2.gz WFKJIMINHHKCKV-RISCZKNCSA-N 0 0 340.383 1.573 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)CN2CCCCCCC2=O)n1 ZINC000186611975 442573286 /nfs/dbraw/zinc/57/32/86/442573286.db2.gz JZJYXLADZZQSCQ-CYBMUJFWSA-N 0 0 336.392 1.071 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 ZINC000186618977 442574816 /nfs/dbraw/zinc/57/48/16/442574816.db2.gz TYTDDYVYWPNMTK-CQSZACIVSA-N 0 0 333.432 1.572 10 0 EDAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000186633194 442578686 /nfs/dbraw/zinc/57/86/86/442578686.db2.gz PPGVTERJBLBNIE-YTQUADARSA-N 0 0 346.471 1.863 10 0 EDAERN C[C@@H]1CCC[C@@H](NC(=O)CN2CCC([N@H+](C)CC(=O)[O-])CC2)[C@@H]1C ZINC000186677206 442588944 /nfs/dbraw/zinc/58/89/44/442588944.db2.gz BEGOUNDRWNUANL-IIAWOOMASA-N 0 0 339.480 1.408 10 0 EDAERN Cc1noc(-c2ccccc2C(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000173067858 442598531 /nfs/dbraw/zinc/59/85/31/442598531.db2.gz XIHHEJASRJIJGA-LBPRGKRZSA-N 0 0 330.388 1.496 10 0 EDAERN O=C(CCNS(=O)(=O)c1cccs1)N[C@H]1CCCC[C@H]1CO ZINC000179220499 442599588 /nfs/dbraw/zinc/59/95/88/442599588.db2.gz VALXFSCIHYEBDM-RYUDHWBXSA-N 0 0 346.474 1.084 10 0 EDAERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@H]1CCCC[C@@H]1CO ZINC000179243895 442603913 /nfs/dbraw/zinc/60/39/13/442603913.db2.gz JMXBELIEVZUCLK-KGLIPLIRSA-N 0 0 331.416 1.846 10 0 EDAERN CC(C)n1nnnc1CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192153780 442604532 /nfs/dbraw/zinc/60/45/32/442604532.db2.gz JYXZENQPDQTAJA-BBRMVZONSA-N 0 0 348.838 1.969 10 0 EDAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@H]1CCCC[C@@H]1CO ZINC000179249305 442605269 /nfs/dbraw/zinc/60/52/69/442605269.db2.gz OTWUVWOWQCNNIE-OCCSQVGLSA-N 0 0 344.415 1.350 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180226445 442561617 /nfs/dbraw/zinc/56/16/17/442561617.db2.gz DLASJIAEZLFIDP-AWEZNQCLSA-N 0 0 343.387 1.214 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cnn3c1CCCC3)CC2 ZINC000179077411 442566804 /nfs/dbraw/zinc/56/68/04/442566804.db2.gz WQXMYHUXQYWVAD-LBPRGKRZSA-N 0 0 328.420 1.679 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)c1 ZINC000180251986 442567572 /nfs/dbraw/zinc/56/75/72/442567572.db2.gz RYKQBQJVIGJUNZ-NVXWUHKLSA-N 0 0 345.443 1.421 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1F ZINC000180647614 442642839 /nfs/dbraw/zinc/64/28/39/442642839.db2.gz VKGHOTCGWSFKBX-LBPRGKRZSA-N 0 0 331.351 1.528 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000179294017 442614294 /nfs/dbraw/zinc/61/42/94/442614294.db2.gz GGJZWXNZZWAIST-IMJJTQAJSA-N 0 0 333.432 1.461 10 0 EDAERN CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1cnn(C)c1 ZINC000135590155 442615495 /nfs/dbraw/zinc/61/54/95/442615495.db2.gz QUQXCBSUIWUMDY-GOEBONIOSA-N 0 0 330.363 1.742 10 0 EDAERN COc1ccccc1O[C@@H](C)CNC(=O)NCCn1cc(C)cn1 ZINC000173201247 442622641 /nfs/dbraw/zinc/62/26/41/442622641.db2.gz HRJVUIYAXMKDAD-AWEZNQCLSA-N 0 0 332.404 1.967 10 0 EDAERN CCOc1ccnc(N2CCN(c3ccc(C(C)=O)cn3)CC2)n1 ZINC000181052553 442677644 /nfs/dbraw/zinc/67/76/44/442677644.db2.gz NDEYWQLQDNHVGJ-UHFFFAOYSA-N 0 0 327.388 1.800 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000181207608 442684721 /nfs/dbraw/zinc/68/47/21/442684721.db2.gz KVBVBFSPXZXTRD-INIZCTEOSA-N 0 0 343.431 1.997 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000187233048 442662292 /nfs/dbraw/zinc/66/22/92/442662292.db2.gz AIHXYLUJVRPHDU-GFCCVEGCSA-N 0 0 327.450 1.719 10 0 EDAERN CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2cnn(CC(F)F)c2)[C@@H](C)C1 ZINC000187233890 442662572 /nfs/dbraw/zinc/66/25/72/442662572.db2.gz LPTGYQBHNGVXRW-JQWIXIFHSA-N 0 0 336.408 1.155 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccn(C3CCCC3)n2)CC1 ZINC000182018470 442728582 /nfs/dbraw/zinc/72/85/82/442728582.db2.gz PMCWPISCVDBHIQ-QGZVFWFLSA-N 0 0 349.479 1.596 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000193302834 442730989 /nfs/dbraw/zinc/73/09/89/442730989.db2.gz VCONOPITEFRWQQ-CZUORRHYSA-N 0 0 346.362 1.240 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)n1 ZINC000193321167 442732961 /nfs/dbraw/zinc/73/29/61/442732961.db2.gz QDKYGXZRQMXXER-UHFFFAOYSA-N 0 0 327.388 1.468 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c(C)c1 ZINC000188284149 442733435 /nfs/dbraw/zinc/73/34/35/442733435.db2.gz NPNREVGXONZQAB-UHFFFAOYSA-N 0 0 334.445 1.946 10 0 EDAERN CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193343767 442734778 /nfs/dbraw/zinc/73/47/78/442734778.db2.gz BKKFWHIRBYKWGO-KZNAEPCWSA-N 0 0 332.444 1.886 10 0 EDAERN CCCCOC[C@H](O)Cn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000193368944 442736628 /nfs/dbraw/zinc/73/66/28/442736628.db2.gz QXNRZIAQYXAAIB-OAHLLOKOSA-N 0 0 342.399 1.760 10 0 EDAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188500873 442757406 /nfs/dbraw/zinc/75/74/06/442757406.db2.gz ZQOOULAZZDCJER-UHFFFAOYSA-N 0 0 340.374 1.565 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000188079731 442709050 /nfs/dbraw/zinc/70/90/50/442709050.db2.gz JKOGIGRANFLDPA-ZDUSSCGKSA-N 0 0 342.399 1.796 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000188092522 442710520 /nfs/dbraw/zinc/71/05/20/442710520.db2.gz LLOHGEVUQGRYCG-ZDUSSCGKSA-N 0 0 349.394 1.771 10 0 EDAERN CCO[C@@H]1C[C@@](CO)(NC(=O)N[C@@H]2COc3ccccc32)C1(C)C ZINC000188093839 442710679 /nfs/dbraw/zinc/71/06/79/442710679.db2.gz QSRVCQLGEDLVCB-SIIHOXLZSA-N 0 0 334.416 1.985 10 0 EDAERN CSCC[C@H](NC(=O)CCNC(N)=O)c1nc2ccccc2[nH]1 ZINC000193115317 442714799 /nfs/dbraw/zinc/71/47/99/442714799.db2.gz PRIYRWFZPCZWHB-LBPRGKRZSA-N 0 0 335.433 1.532 10 0 EDAERN Cc1ccc(CN(CCO)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000182636722 442799409 /nfs/dbraw/zinc/79/94/09/442799409.db2.gz NQWCDLGDNXSBMC-OAHLLOKOSA-N 0 0 329.404 1.626 10 0 EDAERN CCCc1noc(CCCC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188521198 442759661 /nfs/dbraw/zinc/75/96/61/442759661.db2.gz IFIXERICZQPIQH-UHFFFAOYSA-N 0 0 334.420 1.472 10 0 EDAERN COc1cccc(Cl)c1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000188633136 442775996 /nfs/dbraw/zinc/77/59/96/442775996.db2.gz IMTYGENHHMTSEW-NSHDSACASA-N 0 0 327.812 1.478 10 0 EDAERN COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)n2)cc1 ZINC000188668108 442783416 /nfs/dbraw/zinc/78/34/16/442783416.db2.gz RPVQLDKPVCDDOY-RISCZKNCSA-N 0 0 328.372 1.403 10 0 EDAERN CN(C)[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccco1 ZINC000188771633 442809057 /nfs/dbraw/zinc/80/90/57/442809057.db2.gz NCGZLTVRYUFGES-CQSZACIVSA-N 0 0 334.420 1.192 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000182711369 442812211 /nfs/dbraw/zinc/81/22/11/442812211.db2.gz JSTOPISJKBESOO-INIZCTEOSA-N 0 0 333.436 1.905 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)c1 ZINC000246840051 442817427 /nfs/dbraw/zinc/81/74/27/442817427.db2.gz BQKIKWPYILWHAB-WMLDXEAASA-N 0 0 347.459 1.491 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000182779493 442823568 /nfs/dbraw/zinc/82/35/68/442823568.db2.gz NRWPLAJTIBMOFD-ZBFHGGJFSA-N 0 0 333.432 1.043 10 0 EDAERN O=C1[C@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccccc1Cl ZINC000246978721 442825576 /nfs/dbraw/zinc/82/55/76/442825576.db2.gz MKHYIDSOVFAIAX-RHSMWYFYSA-N 0 0 349.862 1.852 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)CCOCC(F)(F)C(F)(F)F)C1 ZINC000188910579 442841062 /nfs/dbraw/zinc/84/10/62/442841062.db2.gz WKSMHRVTMSUETL-JTQLQIEISA-N 0 0 346.296 1.718 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000188920274 442841963 /nfs/dbraw/zinc/84/19/63/442841963.db2.gz FCUYJCMUTXBQPG-ZACQAIPSSA-N 0 0 334.391 1.765 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCCNC(=O)[C@H]3C)cc2)n1 ZINC000188942317 442846023 /nfs/dbraw/zinc/84/60/23/442846023.db2.gz FDUBTBDMFHETRG-CQSZACIVSA-N 0 0 326.400 1.840 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000189066442 442870806 /nfs/dbraw/zinc/87/08/06/442870806.db2.gz LKGKRAIVWKBUEP-OCCSQVGLSA-N 0 0 326.360 1.126 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1 ZINC000194288272 442872482 /nfs/dbraw/zinc/87/24/82/442872482.db2.gz MYSHJPDQDBAHFD-CQSZACIVSA-N 0 0 343.431 1.806 10 0 EDAERN CCN(C(=O)CN[C@@H](C)c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000183094965 442878881 /nfs/dbraw/zinc/87/88/81/442878881.db2.gz YQICHQCBRFISEW-QWHCGFSZSA-N 0 0 328.434 1.274 10 0 EDAERN CN(CC1(CO)CC1)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000189129224 442882975 /nfs/dbraw/zinc/88/29/75/442882975.db2.gz MSYNEIGKRVJWCP-CHWSQXEVSA-N 0 0 326.437 1.911 10 0 EDAERN Cn1nnc2cc(C(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)cnc21 ZINC000183184877 442897865 /nfs/dbraw/zinc/89/78/65/442897865.db2.gz AJJUTMYPRUYRJU-OCCSQVGLSA-N 0 0 341.371 1.685 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000182036047 318496052 /nfs/dbraw/zinc/49/60/52/318496052.db2.gz GPPKGXIJAZCUCF-SWLSCSKDSA-N 0 0 338.452 1.493 10 0 EDAERN Cc1ccn(CC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(=O)c1 ZINC000194514048 442909567 /nfs/dbraw/zinc/90/95/67/442909567.db2.gz UPFDKDGPGKGHBN-CYBMUJFWSA-N 0 0 329.404 1.003 10 0 EDAERN Cc1ccc(CN(C(=O)CN2CCCNC(=O)[C@H]2C)C2CC2)cc1 ZINC000189306008 442917394 /nfs/dbraw/zinc/91/73/94/442917394.db2.gz IDPGZBXGKYYZKP-OAHLLOKOSA-N 0 0 329.444 1.696 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000194610209 442922467 /nfs/dbraw/zinc/92/24/67/442922467.db2.gz PWIYXWOCRPSZKV-SNVBAGLBSA-N 0 0 333.310 1.083 10 0 EDAERN CCO[C@H](C)c1noc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)n1 ZINC000189339928 442925443 /nfs/dbraw/zinc/92/54/43/442925443.db2.gz USEUJLHFXXUDJV-ADEWGFFLSA-N 0 0 337.380 1.821 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)O1 ZINC000248866929 442931685 /nfs/dbraw/zinc/93/16/85/442931685.db2.gz QEXKHDPXEJCHRO-OIISXLGYSA-N 0 0 346.427 1.140 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)C[C@@H](O)C2CCCCC2)n1C ZINC000189978520 318568059 /nfs/dbraw/zinc/56/80/59/318568059.db2.gz XIBGKFLDIIJYAX-CYBMUJFWSA-N 0 0 329.466 1.795 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000194887123 442964442 /nfs/dbraw/zinc/96/44/42/442964442.db2.gz FXPVPJDSGDHTCS-INIZCTEOSA-N 0 0 347.463 1.866 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)/C=C/c3ccncn3)CC2)n1 ZINC000183931935 442975682 /nfs/dbraw/zinc/97/56/82/442975682.db2.gz FPIFHZKCEYWFOY-MUBLQREKSA-N 0 0 342.403 1.341 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000195060436 442980887 /nfs/dbraw/zinc/98/08/87/442980887.db2.gz OQRVUCNPUKDZBG-JTQLQIEISA-N 0 0 330.344 1.205 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(CC(=O)OC)c1)CC2 ZINC000189615894 442985786 /nfs/dbraw/zinc/98/57/86/442985786.db2.gz YXMJFGQTYKIEFX-CQSZACIVSA-N 0 0 342.399 1.301 10 0 EDAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000249610832 442995783 /nfs/dbraw/zinc/99/57/83/442995783.db2.gz SBYLNGMOKMTFKE-RTXFEEFZSA-N 0 0 343.349 1.984 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc21 ZINC000249614297 442996068 /nfs/dbraw/zinc/99/60/68/442996068.db2.gz PEMFGRPDTUYLCS-GDBMZVCRSA-N 0 0 336.457 1.647 10 0 EDAERN O=C(NC1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)C1)C1CC1 ZINC000189426884 442950576 /nfs/dbraw/zinc/95/05/76/442950576.db2.gz NYGWZZXUUYYAKK-HZPDHXFCSA-N 0 0 347.459 1.152 10 0 EDAERN Cn1c(=O)c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2[n-]c1=S ZINC000195321868 443009383 /nfs/dbraw/zinc/00/93/83/443009383.db2.gz HHVBTLGQVLLPKT-GFCCVEGCSA-N 0 0 344.440 1.142 10 0 EDAERN CCCCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000184513341 443032364 /nfs/dbraw/zinc/03/23/64/443032364.db2.gz RJRUGHFWNQIOAG-CQSZACIVSA-N 0 0 326.466 1.897 10 0 EDAERN COC(=O)c1ccc(N2CCC(c3ccnn3C)CC2)nc1OC ZINC000184517678 443032922 /nfs/dbraw/zinc/03/29/22/443032922.db2.gz GYXMZTWPEUACFC-UHFFFAOYSA-N 0 0 330.388 1.994 10 0 EDAERN COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)C[C@@H](C)O1 ZINC000252499024 443034686 /nfs/dbraw/zinc/03/46/86/443034686.db2.gz RTWSALQONHOWEV-APIJFGDWSA-N 0 0 342.436 1.552 10 0 EDAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCc2ccccc2)cn1 ZINC000189953038 443036278 /nfs/dbraw/zinc/03/62/78/443036278.db2.gz HAARNJVZBRZCJD-HNNXBMFYSA-N 0 0 348.428 1.101 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCc1nnc2n1CCCCC2 ZINC000184219574 443002311 /nfs/dbraw/zinc/00/23/11/443002311.db2.gz VIELBXDZLHMNRN-OAHLLOKOSA-N 0 0 349.479 1.164 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000184861980 443087196 /nfs/dbraw/zinc/08/71/96/443087196.db2.gz HSBSGFJGUSGALT-INIZCTEOSA-N 0 0 333.432 1.010 10 0 EDAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(F)cc1 ZINC000224358728 443097439 /nfs/dbraw/zinc/09/74/39/443097439.db2.gz LQPDSARUYGYSJJ-UHFFFAOYSA-N 0 0 345.378 1.771 10 0 EDAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccccc1 ZINC000224357939 443097611 /nfs/dbraw/zinc/09/76/11/443097611.db2.gz LUXIXGMDRPFHFO-UHFFFAOYSA-N 0 0 327.388 1.632 10 0 EDAERN NC(=O)c1ccc(-c2cc(O)c(=O)[nH]c2-c2ccc(C(N)=O)cc2)cc1 ZINC000210817723 443051972 /nfs/dbraw/zinc/05/19/72/443051972.db2.gz LMYRUNFVLFASDY-UHFFFAOYSA-N 0 0 349.346 1.612 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCOc2ccccc2C)CC1 ZINC000184926275 443100072 /nfs/dbraw/zinc/10/00/72/443100072.db2.gz AQHCUKUWTYNSGR-MRXNPFEDSA-N 0 0 335.448 1.472 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@@H]2CC[C@@H](C)O2)ncn1 ZINC000253550130 443073132 /nfs/dbraw/zinc/07/31/32/443073132.db2.gz NPXWJWHPXUDNHN-KFWWJZLASA-N 0 0 347.463 1.951 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000190259834 443077477 /nfs/dbraw/zinc/07/74/77/443077477.db2.gz XPZPEWQGVLZDIW-UKRRQHHQSA-N 0 0 325.430 1.782 10 0 EDAERN CCOCc1ccccc1CNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000184826573 443081896 /nfs/dbraw/zinc/08/18/96/443081896.db2.gz YKEJAGMDECCZGL-SFHVURJKSA-N 0 0 349.475 1.821 10 0 EDAERN CCCOc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000190546427 443133506 /nfs/dbraw/zinc/13/35/06/443133506.db2.gz IJRXYFUXJFLKPH-QGZVFWFLSA-N 0 0 335.448 1.914 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)C1=Cc2ccccc2OCC1 ZINC000185103766 443138104 /nfs/dbraw/zinc/13/81/04/443138104.db2.gz RXLWFWVQIVNTCH-AWEZNQCLSA-N 0 0 346.412 1.856 10 0 EDAERN CC(=O)NC1CN(C(=O)CCc2cc(F)ccc2Br)C1 ZINC000190457348 443112835 /nfs/dbraw/zinc/11/28/35/443112835.db2.gz IIANNODRFVTUIP-UHFFFAOYSA-N 0 0 343.196 1.868 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000185012918 443118328 /nfs/dbraw/zinc/11/83/28/443118328.db2.gz YCWKTGIOJZJAAB-WBVHZDCISA-N 0 0 347.459 1.998 10 0 EDAERN COC[C@@H]1CN(C(=O)Cc2cccc3ccccc32)C[C@H]1C(N)=O ZINC000257185379 443119851 /nfs/dbraw/zinc/11/98/51/443119851.db2.gz JMGVAGGNQBPZCG-DOTOQJQBSA-N 0 0 326.396 1.589 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)C1 ZINC000190511997 443123934 /nfs/dbraw/zinc/12/39/34/443123934.db2.gz KVIMODOSBNUGJO-UHFFFAOYSA-N 0 0 340.383 1.019 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)N(C)Cc2ccccc2C)n1 ZINC000185070625 443129761 /nfs/dbraw/zinc/12/97/61/443129761.db2.gz FHNYXXYZTDMVTF-MRXNPFEDSA-N 0 0 344.415 1.718 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000185225133 443164995 /nfs/dbraw/zinc/16/49/95/443164995.db2.gz MGKOJVGNLMZADY-UHFFFAOYSA-N 0 0 331.199 1.509 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)c2ccc3ccccc3c2)C1 ZINC000185242470 443168493 /nfs/dbraw/zinc/16/84/93/443168493.db2.gz VPEVEBBWSJETLH-CYBMUJFWSA-N 0 0 326.396 1.917 10 0 EDAERN COCC(=O)NC1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000185264240 443173008 /nfs/dbraw/zinc/17/30/08/443173008.db2.gz MSUJSAAVNIXFNP-ZDUSSCGKSA-N 0 0 344.333 1.696 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190770625 443180696 /nfs/dbraw/zinc/18/06/96/443180696.db2.gz CWXGTCZPGJYXTG-CQSZACIVSA-N 0 0 344.419 1.509 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000190675389 443161955 /nfs/dbraw/zinc/16/19/55/443161955.db2.gz BURFWVKTDOABSV-LBPRGKRZSA-N 0 0 331.416 1.660 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)CCOC ZINC000185671431 443236263 /nfs/dbraw/zinc/23/62/63/443236263.db2.gz SDFUVQKIMNHBNS-CYBMUJFWSA-N 0 0 334.482 1.370 10 0 EDAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000190867658 443199665 /nfs/dbraw/zinc/19/96/65/443199665.db2.gz LJILYNGKSNFFCW-LBPRGKRZSA-N 0 0 348.827 1.909 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000190970927 443217349 /nfs/dbraw/zinc/21/73/49/443217349.db2.gz KCPXGOUYIJPZKI-GOEBONIOSA-N 0 0 344.415 1.482 10 0 EDAERN NC(=O)c1cccc(CNCc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185761897 443252901 /nfs/dbraw/zinc/25/29/01/443252901.db2.gz AVSVNVJAKKNUHG-UHFFFAOYSA-N 0 0 337.383 1.772 10 0 EDAERN C[C@@H](CNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)N1CCOCC1 ZINC000246138567 443271829 /nfs/dbraw/zinc/27/18/29/443271829.db2.gz NISBAFVHVUZFSJ-HOTGVXAUSA-N 0 0 346.475 1.757 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000191338217 443281114 /nfs/dbraw/zinc/28/11/14/443281114.db2.gz MYBWJGKSDSJPNI-IUCAKERBSA-N 0 0 329.194 1.901 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000185965999 443291163 /nfs/dbraw/zinc/29/11/63/443291163.db2.gz UIEOUPNVAQUOTI-LBPRGKRZSA-N 0 0 335.433 1.449 10 0 EDAERN CCN1CCO[C@H](C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)C1 ZINC000246129949 443270815 /nfs/dbraw/zinc/27/08/15/443270815.db2.gz KUCMIANTOHYJBB-KCXAZCMYSA-N 0 0 340.370 1.320 10 0 EDAERN Cn1nnc2ccc(C(=O)N3CCC(Nc4cccnn4)CC3)cc21 ZINC000186021510 443298449 /nfs/dbraw/zinc/29/84/49/443298449.db2.gz KAHUOFMKQHIQKJ-UHFFFAOYSA-N 0 0 337.387 1.475 10 0 EDAERN CCc1oc(C(=O)N2CC(N3CCn4c(C)nnc4C3)C2)cc1C ZINC000328643578 444411080 /nfs/dbraw/zinc/41/10/80/444411080.db2.gz RLGPKQPBDGMFHB-UHFFFAOYSA-N 0 0 329.404 1.391 10 0 EDAERN COc1ccc(OC(F)F)c(S(N)(=O)=O)c1Br ZINC000575682808 447878704 /nfs/dbraw/zinc/87/87/04/447878704.db2.gz CBZAKNGGGZKFMT-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN COc1cc(OC(F)F)c(Br)cc1S(N)(=O)=O ZINC000575686063 447879865 /nfs/dbraw/zinc/87/98/65/447879865.db2.gz ZBFJPUDMMKIXJR-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN Cn1c(CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)nnc1C1CCC1 ZINC000583620199 448450578 /nfs/dbraw/zinc/45/05/78/448450578.db2.gz VVTIOXAYLDVGPE-PBHICJAKSA-N 0 0 340.431 1.539 10 0 EDAERN COc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1 ZINC000584611775 448585293 /nfs/dbraw/zinc/58/52/93/448585293.db2.gz VDVJPSIELWMKLI-UHFFFAOYSA-N 0 0 331.357 1.190 10 0 EDAERN O=C1CC(=O)N[C@](c2ccsc2)(c2ccc(OCCO)cc2)C1 ZINC000584624101 448586087 /nfs/dbraw/zinc/58/60/87/448586087.db2.gz TVSHOGIOFQEQBN-KRWDZBQOSA-N 0 0 331.393 1.842 10 0 EDAERN CCOC[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cnn(C)c1 ZINC000585655641 448737112 /nfs/dbraw/zinc/73/71/12/448737112.db2.gz QZPIKJSMQVSQLM-IRXDYDNUSA-N 0 0 345.447 1.512 10 0 EDAERN Ic1cnc(N2CC(n3cccn3)C2)nc1 ZINC000613274292 450113282 /nfs/dbraw/zinc/11/32/82/450113282.db2.gz WLTDJIFLJHOAMF-UHFFFAOYSA-N 0 0 327.129 1.339 10 0 EDAERN Nc1ccc([C@H]2CCOCCN2S(=O)(=O)c2ccccc2)cn1 ZINC000616598927 450454655 /nfs/dbraw/zinc/45/46/55/450454655.db2.gz VQZQRLGSSHNWQH-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccnc(N)c2)CC1 ZINC000616665703 450458857 /nfs/dbraw/zinc/45/88/57/450458857.db2.gz UIBGQGJEGMBOHE-AWEZNQCLSA-N 0 0 336.436 1.952 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2ccccc2CCO)Nc2ccccc21 ZINC000616681038 450460182 /nfs/dbraw/zinc/46/01/82/450460182.db2.gz ROELQIBETYRBKC-HNNXBMFYSA-N 0 0 333.413 1.398 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1csc(Br)c1 ZINC000633929703 451114788 /nfs/dbraw/zinc/11/47/88/451114788.db2.gz ZLFCRJQLRZODOK-JTQLQIEISA-N 0 0 333.251 1.913 10 0 EDAERN CC(C)N(C)c1ccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 ZINC000628376242 451233390 /nfs/dbraw/zinc/23/33/90/451233390.db2.gz LOEPUBOKOMLXLE-IAGOWNOFSA-N 0 0 345.447 1.284 10 0 EDAERN CC1(C)C(CNC(=O)N2CC[C@H](n3cc(C(N)=O)nn3)C2)C1(C)C ZINC000644493168 451809537 /nfs/dbraw/zinc/80/95/37/451809537.db2.gz RLSKAASNALLRHO-JTQLQIEISA-N 0 0 334.424 1.016 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000644119387 453057288 /nfs/dbraw/zinc/05/72/88/453057288.db2.gz SGMOJFJXRXGGFK-HIFRSBDPSA-N 0 0 338.371 1.593 10 0 EDAERN COc1ncc(Cl)c(N2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)n1 ZINC000664501199 453144545 /nfs/dbraw/zinc/14/45/45/453144545.db2.gz NEDCLEYARMHKAC-GMSGAONNSA-N 0 0 325.756 1.796 10 0 EDAERN CN1CCCN(C(=O)CN2CCCC[C@H](O)C2=O)c2ccccc21 ZINC000644366209 453357283 /nfs/dbraw/zinc/35/72/83/453357283.db2.gz CZRXALSWIODIEL-INIZCTEOSA-N 0 0 331.416 1.233 10 0 EDAERN O=C(CCn1ccc2ccccc21)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671603204 486662291 /nfs/dbraw/zinc/66/22/91/486662291.db2.gz LEIRRQKNUMLEKA-GOSISDBHSA-N 0 0 339.399 1.287 10 0 EDAERN Cc1nc2ccc(C(=O)N(C)C[C@@H]3CN(C)CCO3)cc2nc1C ZINC000074884959 486807228 /nfs/dbraw/zinc/80/72/28/486807228.db2.gz CQICXMBXFQGGGC-HNNXBMFYSA-N 0 0 328.416 1.649 10 0 EDAERN NC(=O)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc32)C1 ZINC000205124324 486818033 /nfs/dbraw/zinc/81/80/33/486818033.db2.gz XWNHLOGZONQOET-ZDUSSCGKSA-N 0 0 341.415 1.168 10 0 EDAERN COCCN1CCN(C(=O)NCC(C)(C)c2ccncc2)C[C@@H]1C ZINC000130345953 491005215 /nfs/dbraw/zinc/00/52/15/491005215.db2.gz FEZHBTUHHIJOTR-HNNXBMFYSA-N 0 0 334.464 1.721 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000127111356 491016316 /nfs/dbraw/zinc/01/63/16/491016316.db2.gz HTWSFQHJTXZPAO-UONOGXRCSA-N 0 0 348.509 1.350 10 0 EDAERN Cc1c(C(=O)N[C@H]2CCCn3ncnc32)nnn1-c1ccc(C)cc1 ZINC000177578412 533814780 /nfs/dbraw/zinc/81/47/80/533814780.db2.gz RKQXQPRNWAYJQV-AWEZNQCLSA-N 0 0 337.387 1.741 10 0 EDAERN C[C@@H]1OCC[C@H]1NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1F ZINC000157085782 534196430 /nfs/dbraw/zinc/19/64/30/534196430.db2.gz NBYDPNOQPKPZMB-IMTBSYHQSA-N 0 0 336.772 1.034 10 0 EDAERN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000168696950 534220060 /nfs/dbraw/zinc/22/00/60/534220060.db2.gz PKGHFQYGIMKYFA-QQOXFEPMSA-N 0 0 345.273 1.621 10 0 EDAERN NC(=O)c1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)nc1 ZINC000187594109 534476691 /nfs/dbraw/zinc/47/66/91/534476691.db2.gz FEROXYVRWXCLLN-STQMWFEESA-N 0 0 331.397 1.090 10 0 EDAERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ncnn2C(C)C)C1 ZINC000333080848 534680085 /nfs/dbraw/zinc/68/00/85/534680085.db2.gz XCHWDYJPHPBVAF-ZDUSSCGKSA-N 0 0 331.424 1.920 10 0 EDAERN CC(C)(C)OC(=O)N1CC(NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000175853022 534784902 /nfs/dbraw/zinc/78/49/02/534784902.db2.gz PVXUEPXLQBRVFK-UHFFFAOYSA-N 0 0 349.435 1.918 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2cc(C)ccc2OC(F)F)C1 ZINC000190246390 526708657 /nfs/dbraw/zinc/70/86/57/526708657.db2.gz BKVBOGNKGPZHLR-UHFFFAOYSA-N 0 0 327.331 1.626 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000190120178 526710280 /nfs/dbraw/zinc/71/02/80/526710280.db2.gz LVXHYJGVARWZTR-UHFFFAOYSA-N 0 0 349.778 1.420 10 0 EDAERN CC(C)NC(=O)[C@H](C)S(=O)(=O)c1cc(Br)ccc1N ZINC000167153540 527713315 /nfs/dbraw/zinc/71/33/15/527713315.db2.gz XAPWUGSGSLHNBU-QMMMGPOBSA-N 0 0 349.250 1.718 10 0 EDAERN CC(C)[C@H]1N[C@@H](c2cccs2)N(CCCS(C)(=O)=O)C1=O ZINC000143545673 527900718 /nfs/dbraw/zinc/90/07/18/527900718.db2.gz YCONAEIQQBOYQL-CHWSQXEVSA-N 0 0 330.475 1.638 10 0 EDAERN COCCCN(CCOC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083740344 536530017 /nfs/dbraw/zinc/53/00/17/536530017.db2.gz RJZRRDVCNUAOOU-CYBMUJFWSA-N 0 0 325.413 1.116 10 0 EDAERN CCN(CC1CC1)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000187639542 528327699 /nfs/dbraw/zinc/32/76/99/528327699.db2.gz WFODNSURJHLIOX-LLVKDONJSA-N 0 0 335.429 1.372 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1cn2cccc(C)c2n1 ZINC000184388414 528483060 /nfs/dbraw/zinc/48/30/60/528483060.db2.gz DAWWPSKLUVAFKV-INIZCTEOSA-N 0 0 330.432 1.760 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)NCc1ccccc1 ZINC000176569399 528705011 /nfs/dbraw/zinc/70/50/11/528705011.db2.gz SBEVBEJODWAARW-SPSFWMDKSA-N 0 0 335.433 1.208 10 0 EDAERN CC(C)NC(=O)CCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190133181 529122603 /nfs/dbraw/zinc/12/26/03/529122603.db2.gz AIYALOCGVZJDKA-KBPBESRZSA-N 0 0 339.461 1.380 10 0 EDAERN CC(C)NC(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179449418 529124439 /nfs/dbraw/zinc/12/44/39/529124439.db2.gz WWQIIZUYISVKOQ-WMLDXEAASA-N 0 0 349.406 1.376 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247578434 534918620 /nfs/dbraw/zinc/91/86/20/534918620.db2.gz IBRRTWDUFRYGIU-KBPBESRZSA-N 0 0 333.432 1.215 10 0 EDAERN CC1(C)Cc2cc(S(=O)(=O)N3CC(n4ccnn4)C3)ccc2O1 ZINC000329572360 534952479 /nfs/dbraw/zinc/95/24/79/534952479.db2.gz UZMDEZKQIATBEB-UHFFFAOYSA-N 0 0 334.401 1.237 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)CC2 ZINC000195405174 535023357 /nfs/dbraw/zinc/02/33/57/535023357.db2.gz AQSQVKWBZDQFFG-XJKSGUPXSA-N 0 0 347.463 1.480 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000247370642 535608233 /nfs/dbraw/zinc/60/82/33/535608233.db2.gz UQBXZQQPAJVFPO-XWTMOSNGSA-N 0 0 339.524 1.922 10 0 EDAERN CN(c1cccnn1)C1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000105806829 536298834 /nfs/dbraw/zinc/29/88/34/536298834.db2.gz ZRZLEOSLCIVUKS-UHFFFAOYSA-N 0 0 343.475 1.682 10 0 EDAERN CN[C@H](C(=O)NCCc1csc(N2CCCC2)n1)c1cnn(C)c1 ZINC000262320576 536382209 /nfs/dbraw/zinc/38/22/09/536382209.db2.gz FCVLOXWVLLTPBI-AWEZNQCLSA-N 0 0 348.476 1.096 10 0 EDAERN COc1cc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)ccc1O ZINC000083698924 536790184 /nfs/dbraw/zinc/79/01/84/536790184.db2.gz LYPHFCPZLIQZOU-GFCCVEGCSA-N 0 0 331.376 1.635 10 0 EDAERN CS(=O)(=O)CCCNc1nc(Cl)nc(N2CCCCC2)n1 ZINC000061540853 536920251 /nfs/dbraw/zinc/92/02/51/536920251.db2.gz NKWLWJGEZFVKBS-UHFFFAOYSA-N 0 0 333.845 1.362 10 0 EDAERN COc1cccc2c1OC[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)C2 ZINC000246253224 536965041 /nfs/dbraw/zinc/96/50/41/536965041.db2.gz TXIUFAOIVZIXQC-ZNMIVQPWSA-N 0 0 334.416 1.849 10 0 EDAERN Nc1nc(Br)n(Cc2sncc2Br)n1 ZINC000719819399 563949861 /nfs/dbraw/zinc/94/98/61/563949861.db2.gz PGQBTXWODCOUCL-UHFFFAOYSA-N 0 0 339.016 1.890 10 0 EDAERN c1cc([C@H]2OCC[C@@H]2NCc2nnc3n2CCCC3)n(CC2CC2)n1 ZINC000888078485 590935585 /nfs/dbraw/zinc/93/55/85/590935585.db2.gz VQPPVDLXWYJOFL-KSSFIOAISA-N 0 0 342.447 1.841 10 0 EDAERN CN(C)c1cc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)ccn1 ZINC000899075142 591673453 /nfs/dbraw/zinc/67/34/53/591673453.db2.gz VQEUNDZSICJZBV-CQSZACIVSA-N 0 0 326.404 1.704 10 0 EDAERN CCCc1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)[nH]n1 ZINC000105817180 595466544 /nfs/dbraw/zinc/46/65/44/595466544.db2.gz FDACWNSYBRVWEO-SFHVURJKSA-N 0 0 342.443 1.854 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 ZINC000110907167 595574423 /nfs/dbraw/zinc/57/44/23/595574423.db2.gz HEFHXVSGGGDUBE-OAHLLOKOSA-N 0 0 334.445 1.735 10 0 EDAERN COc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)nn1 ZINC000858008765 595684905 /nfs/dbraw/zinc/68/49/05/595684905.db2.gz YQJSINOCEPCKMO-SMDDNHRTSA-N 0 0 331.376 1.116 10 0 EDAERN O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCOCC1 ZINC000109153518 595764604 /nfs/dbraw/zinc/76/46/04/595764604.db2.gz ZLJXSWQNWWZLGB-VXGBXAGGSA-N 0 0 325.311 1.470 10 0 EDAERN O=C(NCc1ccc(-n2ccnc2)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112746480 596220227 /nfs/dbraw/zinc/22/02/27/596220227.db2.gz IKFXNXNAGXSJDL-CQSZACIVSA-N 0 0 337.387 1.278 10 0 EDAERN C[C@@H]1CN(Cn2nc(-c3ccccc3)oc2=S)C[C@@H](C(N)=O)O1 ZINC000120194357 596311374 /nfs/dbraw/zinc/31/13/74/596311374.db2.gz IZQTUSGTMLRDBH-PWSUYJOCSA-N 0 0 334.401 1.405 10 0 EDAERN Cc1occc1COC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000121656407 596411064 /nfs/dbraw/zinc/41/10/64/596411064.db2.gz MONGBIHXUZNIFR-GDBMZVCRSA-N 0 0 331.372 1.974 10 0 EDAERN Cc1nc(C(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)no1 ZINC000123634148 596585068 /nfs/dbraw/zinc/58/50/68/596585068.db2.gz HBFPOPKYHFXLLT-UHFFFAOYSA-N 0 0 327.344 1.790 10 0 EDAERN O=C(C1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)N1CCCC1 ZINC000126071652 597265070 /nfs/dbraw/zinc/26/50/70/597265070.db2.gz GLHVREGJWZUDGS-HOTGVXAUSA-N 0 0 345.443 1.230 10 0 EDAERN Cn1nccc1NC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000124538168 597293955 /nfs/dbraw/zinc/29/39/55/597293955.db2.gz PRCUBFZPTBHTQN-HNNXBMFYSA-N 0 0 329.404 1.303 10 0 EDAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N(Cc1cccs1)C1CC1 ZINC000126579076 597533454 /nfs/dbraw/zinc/53/34/54/597533454.db2.gz ARBKJGKRSZUORX-NSHDSACASA-N 0 0 328.459 1.016 10 0 EDAERN Cn1cc([C@H]2CCN(CN3C(=O)C(=O)c4cccc(F)c43)C2)cn1 ZINC000132625982 597870917 /nfs/dbraw/zinc/87/09/17/597870917.db2.gz FMWVYNIFSFOBEE-NSHDSACASA-N 0 0 328.347 1.536 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000175124097 697673890 /nfs/dbraw/zinc/67/38/90/697673890.db2.gz HNPPWYYDLLDQLW-FATZIPQQSA-N 0 0 340.445 1.811 10 0 EDAERN Cc1ncc(CN2CCN(Cn3cc([N+](=O)[O-])c(C)n3)CC2)s1 ZINC000183331605 701591354 /nfs/dbraw/zinc/59/13/54/701591354.db2.gz YLWNYXVVQVWKSG-UHFFFAOYSA-N 0 0 336.421 1.640 10 0 EDAERN O[C@@H](CN1CCN(CCO[C@H]2CCCCO2)CC1)c1ccccc1 ZINC000181687284 699952237 /nfs/dbraw/zinc/95/22/37/699952237.db2.gz KKNXOFOFWBOTEN-OALUTQOASA-N 0 0 334.460 1.881 10 0 EDAERN CCOCCONC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000185757714 705048436 /nfs/dbraw/zinc/04/84/36/705048436.db2.gz IGVJQKRPLHSGHK-UHFFFAOYSA-N 0 0 334.376 1.628 10 0 EDAERN CC(C)NC(=O)CCS(=O)(=O)c1nc2ccc(N)cc2s1 ZINC000054049033 214213436 /nfs/dbraw/zinc/21/34/36/214213436.db2.gz LGCRRWPELBNGTP-UHFFFAOYSA-N 0 0 327.431 1.567 10 0 EDAERN Cc1cc(N2CCC[C@@H](Nc3ccc4nnc(C)n4n3)C2=O)n(C)n1 ZINC000172810124 230826376 /nfs/dbraw/zinc/82/63/76/230826376.db2.gz FBNCWJPYERUDLY-GFCCVEGCSA-N 0 0 340.391 1.082 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3cc(C)ccc3C)CCO2)[nH]1 ZINC000173677390 231003564 /nfs/dbraw/zinc/00/35/64/231003564.db2.gz OAIDNPZWKCZAPW-OAHLLOKOSA-N 0 0 329.404 1.742 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CCO2)[nH]1 ZINC000173678731 231003752 /nfs/dbraw/zinc/00/37/52/231003752.db2.gz MLNBLAKHVWFWGS-CABCVRRESA-N 0 0 343.387 1.512 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc(C)ccc3C)CCO2)[nH]1 ZINC000173736920 231018833 /nfs/dbraw/zinc/01/88/33/231018833.db2.gz QXVZJQSYPMBXPJ-ZDUSSCGKSA-N 0 0 336.417 1.492 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000173743423 231020884 /nfs/dbraw/zinc/02/08/84/231020884.db2.gz SYQRLZBKJSMJIN-LLVKDONJSA-N 0 0 343.840 1.432 10 0 EDAERN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nn1C(C)(C)C ZINC000173830939 231046883 /nfs/dbraw/zinc/04/68/83/231046883.db2.gz SVPJTMLQLWNCFP-CJNGLKHVSA-N 0 0 334.464 1.739 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C)CC(N)=S)cc1 ZINC000063088552 214742420 /nfs/dbraw/zinc/74/24/20/214742420.db2.gz RFZYUCFULUZGHN-VIFPVBQESA-N 0 0 329.447 1.330 10 0 EDAERN O=S(=O)(c1cccc2ncccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000173985191 231090522 /nfs/dbraw/zinc/09/05/22/231090522.db2.gz IHMNAMCZNKKOOX-CYBMUJFWSA-N 0 0 343.412 1.852 10 0 EDAERN CC[C@@H](C)[C@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168905774 529426508 /nfs/dbraw/zinc/42/65/08/529426508.db2.gz CXBHAYVHYDOLJC-NOZJJQNGSA-N 0 0 340.221 1.717 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)n(C)n1 ZINC000190151334 529538537 /nfs/dbraw/zinc/53/85/37/529538537.db2.gz DUTXBIZQACTBTH-ZDUSSCGKSA-N 0 0 330.392 1.398 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CCO1 ZINC000182754242 529908497 /nfs/dbraw/zinc/90/84/97/529908497.db2.gz ONPRQKTXYYUXBC-RCBQFDQVSA-N 0 0 331.416 1.385 10 0 EDAERN CC(C)S(=O)(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725271510 539402526 /nfs/dbraw/zinc/40/25/26/539402526.db2.gz GYNHYLWBMDAMCZ-JQWIXIFHSA-N 0 0 332.495 1.264 10 0 EDAERN CC(=O)Oc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000008906719 201763955 /nfs/dbraw/zinc/76/39/55/201763955.db2.gz UZYPBCSYZAFLLJ-UHFFFAOYSA-N 0 0 338.319 1.847 10 0 EDAERN Cc1ncc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c(C)n1 ZINC000012406474 201845119 /nfs/dbraw/zinc/84/51/19/201845119.db2.gz CCGGEDDQVLVVTA-GFCCVEGCSA-N 0 0 342.403 1.285 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[C@H]1CCCCO1 ZINC000248529067 539688191 /nfs/dbraw/zinc/68/81/91/539688191.db2.gz DPDURIIWYAQXJK-ZIAGYGMSSA-N 0 0 332.466 1.266 10 0 EDAERN CC(C)(C)OC(=O)N1CCC(n2nnc(C[NH3+])c2C(=O)[O-])CC1 ZINC000675053517 539703586 /nfs/dbraw/zinc/70/35/86/539703586.db2.gz OBCLTHHIWMYYDZ-UHFFFAOYSA-N 0 0 325.369 1.007 10 0 EDAERN CC(C)[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OC(C)(C)C ZINC000669381134 539742432 /nfs/dbraw/zinc/74/24/32/539742432.db2.gz YVVAFTTXCDQWPH-GFCCVEGCSA-N 0 0 328.409 1.907 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cncnc2OC)C1 ZINC000183224585 234961774 /nfs/dbraw/zinc/96/17/74/234961774.db2.gz OTVUQEIAFRLZPI-NSHDSACASA-N 0 0 331.380 1.508 10 0 EDAERN CCCN(C)S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000246054461 283067912 /nfs/dbraw/zinc/06/79/12/283067912.db2.gz AYYWOGFBRCYBOR-ZDUSSCGKSA-N 0 0 341.481 1.728 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)o1 ZINC000183493652 235108071 /nfs/dbraw/zinc/10/80/71/235108071.db2.gz IEZPWZMEBIPVIP-CMPLNLGQSA-N 0 0 329.422 1.324 10 0 EDAERN CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179453848 540118185 /nfs/dbraw/zinc/11/81/85/540118185.db2.gz XDXOSVIDFKXLII-CABCVRRESA-N 0 0 340.420 1.743 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccnn2-c2ccccc2)c1 ZINC000179366911 540116976 /nfs/dbraw/zinc/11/69/76/540116976.db2.gz AQVMLVKRYNHVIE-UHFFFAOYSA-N 0 0 338.371 1.132 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1cc2c(cc1Br)OCO2 ZINC000184002182 235282957 /nfs/dbraw/zinc/28/29/57/235282957.db2.gz QUNXYBSOVDPLEB-NXEZZACHSA-N 0 0 330.178 1.105 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)CCc2c[nH]cn2)N2CCOCC2)s1 ZINC000193436883 540182253 /nfs/dbraw/zinc/18/22/53/540182253.db2.gz QMXTYMBOJKETIA-OAHLLOKOSA-N 0 0 348.472 1.902 10 0 EDAERN COc1cccc(C)c1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000193388992 540182336 /nfs/dbraw/zinc/18/23/36/540182336.db2.gz BXJVVYPKSKKDLM-ZDUSSCGKSA-N 0 0 343.387 1.397 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000184292882 235357512 /nfs/dbraw/zinc/35/75/12/235357512.db2.gz OWKSHFSPAJTURN-LBPRGKRZSA-N 0 0 334.420 1.603 10 0 EDAERN C[C@@H](NC(=O)NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCO1 ZINC000048522505 138126585 /nfs/dbraw/zinc/12/65/85/138126585.db2.gz OVQJAFOHEPSXHY-DOMZBBRYSA-N 0 0 335.404 1.751 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)CSCC(=O)N2CCOCC2)o1 ZINC000057465235 138156621 /nfs/dbraw/zinc/15/66/21/138156621.db2.gz NVHBDQOYAPSLGO-LBPRGKRZSA-N 0 0 326.418 1.357 10 0 EDAERN COCc1nnc(NC(=O)CN2C(=O)C(=O)c3cccc(C)c32)s1 ZINC000019995103 202029258 /nfs/dbraw/zinc/02/92/58/202029258.db2.gz OGUUUJYJHWFENY-UHFFFAOYSA-N 0 0 346.368 1.161 10 0 EDAERN COc1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)cc1OC ZINC000037856282 202045163 /nfs/dbraw/zinc/04/51/63/202045163.db2.gz CYCAAWQAFLGIGX-UHFFFAOYSA-N 0 0 330.387 1.975 10 0 EDAERN C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000069099417 138197990 /nfs/dbraw/zinc/19/79/90/138197990.db2.gz DNHKQMCJNDKSBC-QWHCGFSZSA-N 0 0 348.424 1.979 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000185220282 235617017 /nfs/dbraw/zinc/61/70/17/235617017.db2.gz DYUJJYOBGPHJQS-IRXDYDNUSA-N 0 0 330.428 1.887 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000073557816 138219106 /nfs/dbraw/zinc/21/91/06/138219106.db2.gz CIKFJUFWTHCBDZ-JTQLQIEISA-N 0 0 327.340 1.921 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(Br)ccc1N)[C@@H]1CCCO1 ZINC000037929578 202065378 /nfs/dbraw/zinc/06/53/78/202065378.db2.gz FSVJJNUPSWAILF-KCJUWKMLSA-N 0 0 349.250 1.877 10 0 EDAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCc2sccc2C1 ZINC000025647640 202134260 /nfs/dbraw/zinc/13/42/60/202134260.db2.gz IZBUOZMXMTYZKD-ZDUSSCGKSA-N 0 0 342.420 1.763 10 0 EDAERN CC(=O)N[C@H]1CCCN(CC(=O)NCCOc2c(C)cccc2C)C1 ZINC000080025508 138263460 /nfs/dbraw/zinc/26/34/60/138263460.db2.gz JYPAPDBHHVRCQJ-KRWDZBQOSA-N 0 0 347.459 1.399 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000081812732 138267570 /nfs/dbraw/zinc/26/75/70/138267570.db2.gz KXCZIDLLFBRRNP-ZDUSSCGKSA-N 0 0 349.341 1.246 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@H]1C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000091778871 138284954 /nfs/dbraw/zinc/28/49/54/138284954.db2.gz IAGGHZGVAYFFMS-MFKMUULPSA-N 0 0 344.333 1.912 10 0 EDAERN Cn1nc(C(=O)N2CCC(Cn3cccn3)CC2)cc1OC(F)F ZINC000185626590 235710297 /nfs/dbraw/zinc/71/02/97/235710297.db2.gz KQLJRKZHZSKLCN-UHFFFAOYSA-N 0 0 339.346 1.770 10 0 EDAERN c1nn(-c2ccccc2)nc1CN1CCCN(c2cccnn2)CC1 ZINC000105799864 138301784 /nfs/dbraw/zinc/30/17/84/138301784.db2.gz RCSKGSBFGMNWHG-UHFFFAOYSA-N 0 0 335.415 1.770 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@H]3CCCS3)CCO2)[nH]1 ZINC000120834617 138316456 /nfs/dbraw/zinc/31/64/56/138316456.db2.gz ZVGLFRJXDLKBAB-MNOVXSKESA-N 0 0 325.438 1.346 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000111106520 138307597 /nfs/dbraw/zinc/30/75/97/138307597.db2.gz FGLVEXHLSTTXSU-INIZCTEOSA-N 0 0 327.428 1.424 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1cccc(C(C)=O)c1)CC2 ZINC000114864771 138310617 /nfs/dbraw/zinc/31/06/17/138310617.db2.gz CUEOUVZLETXNIF-CQSZACIVSA-N 0 0 342.399 1.553 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1)[C@H]1CCCO1 ZINC000125503268 138334528 /nfs/dbraw/zinc/33/45/28/138334528.db2.gz PJCLZUSGXFVJSL-IAQYHMDHSA-N 0 0 346.362 1.634 10 0 EDAERN COc1ncnc(N(C)C)c1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000151349790 138452502 /nfs/dbraw/zinc/45/25/02/138452502.db2.gz UKWKNYVVTUOPLH-UHFFFAOYSA-N 0 0 345.407 1.686 10 0 EDAERN COC(=O)CCCc1nc(CN2CC[C@@H](Oc3cccnc3)C2)no1 ZINC000152224180 138469318 /nfs/dbraw/zinc/46/93/18/138469318.db2.gz WRBWOHIWDBLJBJ-CQSZACIVSA-N 0 0 346.387 1.614 10 0 EDAERN COCCn1ccc(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)n1 ZINC000187616210 236260427 /nfs/dbraw/zinc/26/04/27/236260427.db2.gz XZCSKXNWAUSFFT-CYBMUJFWSA-N 0 0 333.392 1.316 10 0 EDAERN O=C(CCCNC(=O)C1CC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187627163 236263985 /nfs/dbraw/zinc/26/39/85/236263985.db2.gz SKSQSRYMGQOVSY-GJZGRUSLSA-N 0 0 336.457 1.589 10 0 EDAERN O=C(NC1CN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1)C1CC1 ZINC000187979327 236368901 /nfs/dbraw/zinc/36/89/01/236368901.db2.gz ZLTSVCUKFASKTJ-HKUYNNGSSA-N 0 0 344.455 1.652 10 0 EDAERN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979641 236368961 /nfs/dbraw/zinc/36/89/61/236368961.db2.gz WFZVSFRAUSDWAO-UHFFFAOYSA-N 0 0 339.754 1.155 10 0 EDAERN O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161701480 138643995 /nfs/dbraw/zinc/64/39/95/138643995.db2.gz GPPAHCCEYGCLPW-CABCVRRESA-N 0 0 328.478 1.049 10 0 EDAERN Cc1ccc([C@@H](CNc2nccn(C)c2=O)N2CCOCC2)s1 ZINC000174742863 138687266 /nfs/dbraw/zinc/68/72/66/138687266.db2.gz LRHXDQVZNLIYQL-CYBMUJFWSA-N 0 0 334.445 1.636 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCc1nnc(C(C)C)o1)CC2 ZINC000174996106 138690266 /nfs/dbraw/zinc/69/02/66/138690266.db2.gz QBMZXKKCHHUEHJ-GFCCVEGCSA-N 0 0 346.435 1.972 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000175004629 138690460 /nfs/dbraw/zinc/69/04/60/138690460.db2.gz FJBVZFXWCYHXSX-HOTGVXAUSA-N 0 0 335.448 1.612 10 0 EDAERN CNC(=O)[C@H](NC(=O)COc1ccc(Br)cc1)C(C)C ZINC000178729119 138745143 /nfs/dbraw/zinc/74/51/43/138745143.db2.gz BLZVBULMMBRWAX-CYBMUJFWSA-N 0 0 343.221 1.715 10 0 EDAERN COCCN1CCN(C(=O)CCCc2csc(C)n2)C[C@@H]1C ZINC000176623033 237348854 /nfs/dbraw/zinc/34/88/54/237348854.db2.gz ZTNSQBBTVONMKT-ZDUSSCGKSA-N 0 0 325.478 1.953 10 0 EDAERN CCCN[C@](CSCCS(C)(=O)=O)(C(=O)OCC)C1CC1 ZINC000069191134 202271812 /nfs/dbraw/zinc/27/18/12/202271812.db2.gz GBJIRQSTDKCTOU-AWEZNQCLSA-N 0 0 337.507 1.476 10 0 EDAERN Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)NC1CCCC1)C2 ZINC000035482154 202305199 /nfs/dbraw/zinc/30/51/99/202305199.db2.gz JTXPKVHPDIHEIL-UHFFFAOYSA-N 0 0 345.447 1.666 10 0 EDAERN NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1ccccc1)CC2 ZINC000036135608 202317396 /nfs/dbraw/zinc/31/73/96/202317396.db2.gz KIMCLUWWWLEWLH-UHFFFAOYSA-N 0 0 330.409 1.461 10 0 EDAERN Nc1ccc(SCCS(=O)(=O)NC2(CO)CCCC2)cc1 ZINC000070214743 202319725 /nfs/dbraw/zinc/31/97/25/202319725.db2.gz LEHRVSFQXKIBKD-UHFFFAOYSA-N 0 0 330.475 1.585 10 0 EDAERN Cc1ncsc1CNS(=O)(=O)c1cc(C(N)=S)ccc1C ZINC000070431700 202334660 /nfs/dbraw/zinc/33/46/60/202334660.db2.gz WBMIGSFAUZYODC-UHFFFAOYSA-N 0 0 341.483 1.873 10 0 EDAERN O=S(=O)(c1c[nH]cn1)N1CCCN(Cc2cccs2)CC1 ZINC000070416780 202334940 /nfs/dbraw/zinc/33/49/40/202334940.db2.gz IODMOPFXHSJQEG-UHFFFAOYSA-N 0 0 326.447 1.368 10 0 EDAERN CCN(C)C(=O)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000037223455 202337300 /nfs/dbraw/zinc/33/73/00/202337300.db2.gz MTRBJBOXJGCZCC-UHFFFAOYSA-N 0 0 325.162 1.457 10 0 EDAERN O=S1(=O)C[C@@H](O)[C@H](Nc2ccc(Br)cc2Cl)C1 ZINC000037692778 202353684 /nfs/dbraw/zinc/35/36/84/202353684.db2.gz OIROPXKAKHNLQL-NXEZZACHSA-N 0 0 340.626 1.672 10 0 EDAERN CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000075441724 202381591 /nfs/dbraw/zinc/38/15/91/202381591.db2.gz SQKRHDHMMQHUMU-AWEZNQCLSA-N 0 0 341.415 1.850 10 0 EDAERN CN(Cc1cccc(Br)c1)S(=O)(=O)c1cn[nH]c1 ZINC000038100145 202394987 /nfs/dbraw/zinc/39/49/87/202394987.db2.gz JOELPDDIFMEVGB-UHFFFAOYSA-N 0 0 330.207 1.993 10 0 EDAERN NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(Br)ccc1Cl ZINC000038068560 202392142 /nfs/dbraw/zinc/39/21/42/202392142.db2.gz SDBPANSLYCJXKZ-GMSGAONNSA-N 0 0 347.596 1.163 10 0 EDAERN CNC(=O)CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2 ZINC000038828030 202407989 /nfs/dbraw/zinc/40/79/89/202407989.db2.gz BAHNGLXHHONTNC-LLVKDONJSA-N 0 0 337.445 1.139 10 0 EDAERN O=C(c1cccnc1Cl)N1CCN(c2ccc3nncn3n2)CC1 ZINC000038510409 202402977 /nfs/dbraw/zinc/40/29/77/202402977.db2.gz JRVHVOSXDWLABS-UHFFFAOYSA-N 0 0 343.778 1.135 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)CC2CCCCC2)n1 ZINC000183746877 138787606 /nfs/dbraw/zinc/78/76/06/138787606.db2.gz STVKVQBSGGHVGV-ZDUSSCGKSA-N 0 0 329.422 1.661 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)O1 ZINC000183797295 138788573 /nfs/dbraw/zinc/78/85/73/138788573.db2.gz HDMGIRZCFHJDGD-SWLSCSKDSA-N 0 0 338.429 1.410 10 0 EDAERN Cc1ccc2cc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)[nH]c2c1 ZINC000041186322 202476251 /nfs/dbraw/zinc/47/62/51/202476251.db2.gz VHUVIGKCXITMBP-AWEZNQCLSA-N 0 0 348.424 1.072 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2cccc(Cl)c2C)C1 ZINC000185303316 138803770 /nfs/dbraw/zinc/80/37/70/138803770.db2.gz QQWIDBZQMMPTCS-UHFFFAOYSA-N 0 0 326.780 1.001 10 0 EDAERN COc1ccnc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1OC ZINC000190526826 238562219 /nfs/dbraw/zinc/56/22/19/238562219.db2.gz OHLXCLOJZAKYHB-CQSZACIVSA-N 0 0 332.404 1.505 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3nc(CC)nn3C2)C1 ZINC000114865724 201071473 /nfs/dbraw/zinc/07/14/73/201071473.db2.gz JRHOTUMXCLPAKF-CHWSQXEVSA-N 0 0 349.435 1.140 10 0 EDAERN CC(C)(CNC(=O)CN1CCC[C@@H]1c1ccco1)N1CCOCC1 ZINC000116291025 201074820 /nfs/dbraw/zinc/07/48/20/201074820.db2.gz YDZISNCKYQMZMD-OAHLLOKOSA-N 0 0 335.448 1.644 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1cccc2ccccc21)N1CCOCC1 ZINC000041600618 201093801 /nfs/dbraw/zinc/09/38/01/201093801.db2.gz FEUMVAVUPREBME-AWEZNQCLSA-N 0 0 341.411 1.615 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000041917217 201095426 /nfs/dbraw/zinc/09/54/26/201095426.db2.gz BUTYSRPYRCHALI-SKDRFNHKSA-N 0 0 326.780 1.971 10 0 EDAERN C[C@@H](CC(N)=O)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000136073878 201131113 /nfs/dbraw/zinc/13/11/13/201131113.db2.gz IJBKLFOPKAJBCL-YFKPBYRVSA-N 0 0 326.205 1.118 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000188198473 138834315 /nfs/dbraw/zinc/83/43/15/138834315.db2.gz PLJKZWPNMHNJNR-CYBMUJFWSA-N 0 0 332.809 1.760 10 0 EDAERN CN1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(C)NC(=O)OCc1ccccc1 ZINC000001563024 201359465 /nfs/dbraw/zinc/35/94/65/201359465.db2.gz JVFZVOWNXZDZJP-GUYCJALGSA-N 0 0 331.372 1.092 10 0 EDAERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)c1cc(F)c(Cl)c(CO)c1 ZINC000161898235 201393308 /nfs/dbraw/zinc/39/33/08/201393308.db2.gz HXCQGSUURKIFJV-PRHODGIISA-N 0 0 337.800 1.769 10 0 EDAERN CCn1c([C@@H]2CCC[C@@H](C(F)(F)F)C2)nnc1S(N)(=O)=O ZINC000158393241 201386232 /nfs/dbraw/zinc/38/62/32/201386232.db2.gz AFPJWIIAPJEAOR-HTQZYQBOSA-N 0 0 326.344 1.782 10 0 EDAERN COc1cc([C@]2(O)Oc3cc(O)cc(O)c3CC2=O)cc(OC)c1O ZINC000100400365 201387174 /nfs/dbraw/zinc/38/71/74/201387174.db2.gz AVUDJRRBHDEMSG-KRWDZBQOSA-N 0 0 348.307 1.957 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000098033592 201387331 /nfs/dbraw/zinc/38/73/31/201387331.db2.gz KAHMYVHQPGDLEM-MRXNPFEDSA-N 0 0 341.415 1.682 10 0 EDAERN Nc1cc(Cl)ccc1-c1nnnn1C[C@@H]1CCCS1(=O)=O ZINC000155455988 201397751 /nfs/dbraw/zinc/39/77/51/201397751.db2.gz FPDSXSBPLCKDGQ-VIFPVBQESA-N 0 0 327.797 1.153 10 0 EDAERN CCNC(=O)[C@H]1COCCN1c1cc(F)c(Br)cc1N ZINC000159229329 201407189 /nfs/dbraw/zinc/40/71/89/201407189.db2.gz NJDNWECMDQMNMO-GFCCVEGCSA-N 0 0 346.200 1.512 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000188634160 138847158 /nfs/dbraw/zinc/84/71/58/138847158.db2.gz CCFULZDNDMZQIA-MRCXROJRSA-N 0 0 342.342 1.447 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cn3ccnc3s1)CC2 ZINC000188648437 138847583 /nfs/dbraw/zinc/84/75/83/138847583.db2.gz AFSRRIDPXBZGLM-SNVBAGLBSA-N 0 0 330.417 1.856 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)CC2)s1 ZINC000053506188 202659384 /nfs/dbraw/zinc/65/93/84/202659384.db2.gz MVCQBTVKTWYEGF-UHFFFAOYSA-N 0 0 331.463 1.481 10 0 EDAERN C[C@H](O)[C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C1 ZINC000188753381 138850614 /nfs/dbraw/zinc/85/06/14/138850614.db2.gz BMEDYARFNILQAD-ZDEQEGDKSA-N 0 0 330.400 1.563 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)N2C[C@@H]3CC[C@H]2C3)c1 ZINC000165097016 201420427 /nfs/dbraw/zinc/42/04/27/201420427.db2.gz DJKAKWOQGJYAHG-SFYZADRCSA-N 0 0 332.784 1.751 10 0 EDAERN C[C@H](CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl)[S@@](C)=O ZINC000165046490 201420760 /nfs/dbraw/zinc/42/07/60/201420760.db2.gz LMZLIIFNJIEUPB-DMWPKQFHSA-N 0 0 345.273 1.621 10 0 EDAERN NC(=O)c1cc(NCc2cncc(Br)c2)cc(C(N)=O)c1 ZINC000166055498 201422561 /nfs/dbraw/zinc/42/25/61/201422561.db2.gz JDNPVJXVSJWLIR-UHFFFAOYSA-N 0 0 349.188 1.654 10 0 EDAERN CCOC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000058948623 202774887 /nfs/dbraw/zinc/77/48/87/202774887.db2.gz HJIVEBRIVJIFGB-GFCCVEGCSA-N 0 0 336.775 1.947 10 0 EDAERN CCOC(=O)N(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000227123185 242121725 /nfs/dbraw/zinc/12/17/25/242121725.db2.gz LALHYZKVEAAQSV-NWDGAFQWSA-N 0 0 333.793 1.461 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNC(C)=O ZINC000062225205 202795635 /nfs/dbraw/zinc/79/56/35/202795635.db2.gz MELXSHOAXUZJJO-OCCSQVGLSA-N 0 0 343.468 1.958 10 0 EDAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000051135003 283998328 /nfs/dbraw/zinc/99/83/28/283998328.db2.gz DFLXTBJMHDDIIT-HNNXBMFYSA-N 0 0 349.412 1.589 10 0 EDAERN CN(CC[C@H]1CCCCO1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000062193527 202795864 /nfs/dbraw/zinc/79/58/64/202795864.db2.gz NFLWHAFOAIGQKB-CYBMUJFWSA-N 0 0 338.429 1.761 10 0 EDAERN COC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2C(N)=O)C1 ZINC000005255301 201644489 /nfs/dbraw/zinc/64/44/89/201644489.db2.gz KDBFZIJSJBMGKN-UHFFFAOYSA-N 0 0 339.417 1.956 10 0 EDAERN Cc1ccc(F)c(-n2nnnc2CS(=O)(=O)Cc2ccccn2)c1 ZINC000069663111 203034386 /nfs/dbraw/zinc/03/43/86/203034386.db2.gz QTLCBMHEUYUXMN-UHFFFAOYSA-N 0 0 347.375 1.620 10 0 EDAERN O=S1(=O)C[C@@H](O)[C@H](Oc2cc(Br)ccc2Cl)C1 ZINC000070134460 203073499 /nfs/dbraw/zinc/07/34/99/203073499.db2.gz RWNRQZGSMMNXRH-PSASIEDQSA-N 0 0 341.610 1.639 10 0 EDAERN COc1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1 ZINC000070873205 203083032 /nfs/dbraw/zinc/08/30/32/203083032.db2.gz CYNLIBYIMUCQJX-UHFFFAOYSA-N 0 0 325.328 1.076 10 0 EDAERN Cc1cc(Br)ccc1NC(=O)CN1CC(C(=O)[O-])C1 ZINC000071173554 203086925 /nfs/dbraw/zinc/08/69/25/203086925.db2.gz UMSMIZCLLZMHIX-UHFFFAOYSA-N 0 0 327.178 1.712 10 0 EDAERN COc1cc(C=O)cc(Br)c1O[C@H]1CCN(C)C1=O ZINC000071184141 203087722 /nfs/dbraw/zinc/08/77/22/203087722.db2.gz JEUZKPIWTFMLPB-JTQLQIEISA-N 0 0 328.162 1.880 10 0 EDAERN C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cnc1N ZINC000071211325 203088554 /nfs/dbraw/zinc/08/85/54/203088554.db2.gz XEZPRPACBPYSQU-APPZFPTMSA-N 0 0 334.239 1.893 10 0 EDAERN CCCS(=O)(=O)c1ccccc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000191763158 138923412 /nfs/dbraw/zinc/92/34/12/138923412.db2.gz YMRNRHLFCOTDOT-LBPRGKRZSA-N 0 0 338.429 1.221 10 0 EDAERN C[NH+](C)CCn1c(CCNC(=O)CCC(=O)[O-])nc2ccccc21 ZINC000071482769 203098336 /nfs/dbraw/zinc/09/83/36/203098336.db2.gz DOPDIOLBXDLQAW-UHFFFAOYSA-N 0 0 332.404 1.121 10 0 EDAERN COC(=O)[C@@H](C)CN(CCCNC(C)=O)C(=O)c1ccccc1F ZINC000071608111 203100125 /nfs/dbraw/zinc/10/01/25/203100125.db2.gz OVDAYJFNHLYJFL-LBPRGKRZSA-N 0 0 338.379 1.603 10 0 EDAERN COC(=O)CCN(CCCO)C(=O)c1cc2ccccc2oc1=O ZINC000071638030 203101262 /nfs/dbraw/zinc/10/12/62/203101262.db2.gz XBPKFOJGCQBKHM-UHFFFAOYSA-N 0 0 333.340 1.181 10 0 EDAERN CCOC(=O)C[C@H](N[C@@H](CC)CO)C(=O)c1cc(F)ccc1F ZINC000071660658 203102447 /nfs/dbraw/zinc/10/24/47/203102447.db2.gz GEIRIEABEHPKPM-FZMZJTMJSA-N 0 0 329.343 1.830 10 0 EDAERN COC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccccc2N)cc1 ZINC000071710031 203103235 /nfs/dbraw/zinc/10/32/35/203103235.db2.gz MDDKTEWHKOYUKN-UHFFFAOYSA-N 0 0 334.397 1.729 10 0 EDAERN [NH3+]Cc1cccc(-c2nc(CC(=O)N3CCC[C@@H]3C(=O)[O-])cs2)c1 ZINC000071694520 203104105 /nfs/dbraw/zinc/10/41/05/203104105.db2.gz UKFHXPLYFCJNSY-CQSZACIVSA-N 0 0 345.424 1.887 10 0 EDAERN CCCc1nnc(-n2ccc3c(C(=O)OC)c(C)nc(C)c3c2=O)[nH]1 ZINC000072452163 203227464 /nfs/dbraw/zinc/22/74/64/203227464.db2.gz UXOSLKMZVHEFOJ-UHFFFAOYSA-N 0 0 341.371 1.860 10 0 EDAERN C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)Oc1ccccc1 ZINC000072822340 203246379 /nfs/dbraw/zinc/24/63/79/203246379.db2.gz ORWRROXBHFGUGX-WMLDXEAASA-N 0 0 341.411 1.850 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2nnn(C)c2c1 ZINC000248619328 284165451 /nfs/dbraw/zinc/16/54/51/284165451.db2.gz ZUAKLVZTHAJHLH-PEYYIBSZSA-N 0 0 342.399 1.915 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000081580907 203485393 /nfs/dbraw/zinc/48/53/93/203485393.db2.gz FABHYRDAISDTDI-CQSZACIVSA-N 0 0 327.388 1.553 10 0 EDAERN Cc1cc(OCC(=O)N2CCOC[C@@H]2C(N)=O)cc(C)c1Cl ZINC000091781443 203652275 /nfs/dbraw/zinc/65/22/75/203652275.db2.gz PJJWOIYVHWNCSZ-GFCCVEGCSA-N 0 0 326.780 1.048 10 0 EDAERN Cc1ccnc(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090369 203713226 /nfs/dbraw/zinc/71/32/26/203713226.db2.gz SCYQEWPXEUYYBT-GFCCVEGCSA-N 0 0 341.433 1.958 10 0 EDAERN CCCC(=O)NCC(=O)N[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000194757673 139000009 /nfs/dbraw/zinc/00/00/09/139000009.db2.gz XVCQSMYNDOUSRC-HNNXBMFYSA-N 0 0 340.807 1.977 10 0 EDAERN CCCNC(=O)C1(NC(=O)[C@@H](C)NC(=O)c2ccco2)CCCCC1 ZINC000102367650 204036496 /nfs/dbraw/zinc/03/64/96/204036496.db2.gz JCIUIRIABHMKCI-CYBMUJFWSA-N 0 0 349.431 1.743 10 0 EDAERN Cc1ccc(C(=O)Cn2c(=S)[nH]c3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000103628257 204084739 /nfs/dbraw/zinc/08/47/39/204084739.db2.gz ZFVFXHHYDZRIRU-UHFFFAOYSA-N 0 0 344.396 1.288 10 0 EDAERN COCCN(CC(C)C)S(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000042370738 204088620 /nfs/dbraw/zinc/08/86/20/204088620.db2.gz MUYYJKTZHNTNRR-UHFFFAOYSA-N 0 0 330.475 1.614 10 0 EDAERN CCNC(=O)N1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000041636253 204052145 /nfs/dbraw/zinc/05/21/45/204052145.db2.gz LZYVPCFFOBPFHZ-UHFFFAOYSA-N 0 0 331.203 1.876 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCCOCCc2ccccc2)C1 ZINC000104785509 204119316 /nfs/dbraw/zinc/11/93/16/204119316.db2.gz PZURIAAZKPRBSN-KRWDZBQOSA-N 0 0 335.448 1.266 10 0 EDAERN CN(CCCNC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1F ZINC000104791202 204119754 /nfs/dbraw/zinc/11/97/54/204119754.db2.gz JFNDRTJDCJOEAJ-CQSZACIVSA-N 0 0 338.427 1.282 10 0 EDAERN CC(C)c1nc(CCNC(=O)NC[C@@H]2CN(C)CCO2)cs1 ZINC000104795504 204120866 /nfs/dbraw/zinc/12/08/66/204120866.db2.gz CXKHMZSWBDUXOF-CYBMUJFWSA-N 0 0 326.466 1.439 10 0 EDAERN Cc1ccccc1N1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000104797221 204121020 /nfs/dbraw/zinc/12/10/20/204121020.db2.gz WGCLGEPHVPVUQF-INIZCTEOSA-N 0 0 332.448 1.157 10 0 EDAERN CC(C)N(CCC(N)=S)S(=O)(=O)c1cccc2nsnc21 ZINC000042528961 204104183 /nfs/dbraw/zinc/10/41/83/204104183.db2.gz GAWQNUTZJYFBEQ-UHFFFAOYSA-N 0 0 344.487 1.767 10 0 EDAERN COc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1OC ZINC000105809848 204163235 /nfs/dbraw/zinc/16/32/35/204163235.db2.gz ZNJIQLNLUVGZRA-UHFFFAOYSA-N 0 0 342.399 1.846 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CCO2)c1 ZINC000151877017 204130705 /nfs/dbraw/zinc/13/07/05/204130705.db2.gz YHRUVMJNPYNVKK-NVXWUHKLSA-N 0 0 345.374 1.562 10 0 EDAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](n2cncn2)C1 ZINC000105854633 204170960 /nfs/dbraw/zinc/17/09/60/204170960.db2.gz HAYCWPLHFQZIJF-GDBMZVCRSA-N 0 0 325.372 1.635 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)C2)c1 ZINC000105859631 204171427 /nfs/dbraw/zinc/17/14/27/204171427.db2.gz WPWCQBRCGIIUJS-AWEZNQCLSA-N 0 0 339.399 1.698 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN([C@@H]2CCOC2=O)CC1 ZINC000105870364 204172578 /nfs/dbraw/zinc/17/25/78/204172578.db2.gz TXBWCZRWLCIRAV-CYBMUJFWSA-N 0 0 326.828 1.069 10 0 EDAERN COc1cccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1O ZINC000105875119 204174215 /nfs/dbraw/zinc/17/42/15/204174215.db2.gz GSOCFNYQBANDDE-UHFFFAOYSA-N 0 0 344.415 1.482 10 0 EDAERN CCc1ccccc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105888158 204175885 /nfs/dbraw/zinc/17/58/85/204175885.db2.gz CQBXEGCDQQNDPM-MRXNPFEDSA-N 0 0 328.416 1.785 10 0 EDAERN CCOc1ccnc(N2CCN(CCC(=O)OC(C)(C)C)CC2)n1 ZINC000106152292 204188227 /nfs/dbraw/zinc/18/82/27/204188227.db2.gz YNUBUKZFBSVIAN-UHFFFAOYSA-N 0 0 336.436 1.729 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCCc2c[nH]c3ccccc23)C1 ZINC000107746541 204246969 /nfs/dbraw/zinc/24/69/69/204246969.db2.gz BXRQZFYJXWYGPX-HNNXBMFYSA-N 0 0 330.432 1.730 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](NC(=O)OC)C(C)C)C1 ZINC000108278587 204257513 /nfs/dbraw/zinc/25/75/13/204257513.db2.gz DHQPOWFXJNFBIH-ZFWWWQNUSA-N 0 0 336.436 1.990 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)nc2ccccc12 ZINC000194995298 139003965 /nfs/dbraw/zinc/00/39/65/139003965.db2.gz RSCIOGXDCUIZHI-SFHVURJKSA-N 0 0 338.367 1.357 10 0 EDAERN Cn1cc(C(=O)NC[C@H]2CN(C)CCO2)c(-c2ccccc2Cl)n1 ZINC000108790628 204271286 /nfs/dbraw/zinc/27/12/86/204271286.db2.gz RQMLJBIPOCIBHE-LBPRGKRZSA-N 0 0 348.834 1.801 10 0 EDAERN COc1cccc(C2(C(=O)NC[C@@H]3CN(C)CCO3)CCCC2)c1 ZINC000108790549 204271707 /nfs/dbraw/zinc/27/17/07/204271707.db2.gz CTHDMSXCHIMTED-QGZVFWFLSA-N 0 0 332.444 1.954 10 0 EDAERN CN1CCO[C@@H](CNc2cc(C(=O)NC3CC3)c3ccccc3n2)C1 ZINC000108945793 204275141 /nfs/dbraw/zinc/27/51/41/204275141.db2.gz DTVGYJNPPAZGEU-AWEZNQCLSA-N 0 0 340.427 1.870 10 0 EDAERN CCOC(=O)c1ccc(N2CCO[C@H](Cn3nc(C)cc3C)C2)nc1 ZINC000108950992 204275371 /nfs/dbraw/zinc/27/53/71/204275371.db2.gz JGILJZBENJUHBP-INIZCTEOSA-N 0 0 344.415 1.977 10 0 EDAERN O=C(NCCN1CCCS1(=O)=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109095288 204277438 /nfs/dbraw/zinc/27/74/38/204277438.db2.gz HKNMCWXTJGVUOH-RYUDHWBXSA-N 0 0 344.383 1.220 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)NCC3(O)CCCCCC3)nc2n1 ZINC000118699169 204313370 /nfs/dbraw/zinc/31/33/70/204313370.db2.gz GCCQGKCSOINPMM-UHFFFAOYSA-N 0 0 331.420 1.485 10 0 EDAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1c(N)cccc1Cl ZINC000045166514 204315981 /nfs/dbraw/zinc/31/59/81/204315981.db2.gz DPLAJPVVDXFQLR-UHFFFAOYSA-N 0 0 333.841 1.457 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110883291 204325751 /nfs/dbraw/zinc/32/57/51/204325751.db2.gz OPYZCSTWVGYYEQ-LBPRGKRZSA-N 0 0 346.474 1.648 10 0 EDAERN O=C(CCNC(=O)c1ccco1)N1CCO[C@H](c2nccs2)C1 ZINC000110874655 204326237 /nfs/dbraw/zinc/32/62/37/204326237.db2.gz ZRHHVUNUYURXGO-LBPRGKRZSA-N 0 0 335.385 1.456 10 0 EDAERN C[C@H](OCc1ccccc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111076063 204334608 /nfs/dbraw/zinc/33/46/08/204334608.db2.gz JPKCBMLFKZDVPV-DOTOQJQBSA-N 0 0 329.400 1.716 10 0 EDAERN COc1ccc(CCC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111083923 204334915 /nfs/dbraw/zinc/33/49/15/204334915.db2.gz FFYNSCKGSZECJJ-QGZVFWFLSA-N 0 0 329.400 1.752 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111714304 204370117 /nfs/dbraw/zinc/37/01/17/204370117.db2.gz XNIVQWDZUONYAA-OAHLLOKOSA-N 0 0 343.387 1.176 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC[C@@H]2c2cnn(C)c2)no1 ZINC000111219418 204340958 /nfs/dbraw/zinc/34/09/58/204340958.db2.gz PKLXDDIMLXYYAH-CYBMUJFWSA-N 0 0 333.392 1.636 10 0 EDAERN CCn1c(C)nnc1CN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000195103937 139007171 /nfs/dbraw/zinc/00/71/71/139007171.db2.gz LBDZVYXQYLBQSE-UHFFFAOYSA-N 0 0 349.460 1.536 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000112661435 204410950 /nfs/dbraw/zinc/41/09/50/204410950.db2.gz RMLVRMBGJRUCCZ-SNVBAGLBSA-N 0 0 326.278 1.922 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)c1 ZINC000112064761 204380595 /nfs/dbraw/zinc/38/05/95/204380595.db2.gz VFCVEQRQHMTPBI-HNNXBMFYSA-N 0 0 328.372 1.058 10 0 EDAERN COc1ccc(CC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000112063521 204381540 /nfs/dbraw/zinc/38/15/40/204381540.db2.gz OHJMBHIJYORKFV-QGZVFWFLSA-N 0 0 329.400 1.670 10 0 EDAERN C[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)C(=O)Nc1ccccc1 ZINC000112106914 204382621 /nfs/dbraw/zinc/38/26/21/204382621.db2.gz CIKAERLWKQUQIB-UONOGXRCSA-N 0 0 334.420 1.034 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(N(C)C)ccn3)CCO2)c1 ZINC000112117840 204383924 /nfs/dbraw/zinc/38/39/24/204383924.db2.gz GEHGPRRTJGAWBE-OAHLLOKOSA-N 0 0 329.404 1.194 10 0 EDAERN O=C(c1ccc(N2CCOC2=O)cc1)N1CCN2CCCC[C@H]2C1 ZINC000195058195 139006020 /nfs/dbraw/zinc/00/60/20/139006020.db2.gz ORSFFVICJKICSS-INIZCTEOSA-N 0 0 329.400 1.954 10 0 EDAERN COc1c(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c(C)nn1C ZINC000112297343 204391428 /nfs/dbraw/zinc/39/14/28/204391428.db2.gz MSERBDDCCVMATF-AWEZNQCLSA-N 0 0 347.419 1.092 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000195279094 139012298 /nfs/dbraw/zinc/01/22/98/139012298.db2.gz OEWDWTIRKKPJCZ-KBPBESRZSA-N 0 0 336.436 1.418 10 0 EDAERN C[C@@H](NC(=O)CN1CCC(c2cc[nH]n2)CC1)C(=O)N1CCCCC1 ZINC000195507242 139018575 /nfs/dbraw/zinc/01/85/75/139018575.db2.gz OXLGQRAFWUTIPH-CQSZACIVSA-N 0 0 347.463 1.106 10 0 EDAERN CCN(CC)C(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)NC ZINC000121174422 204785160 /nfs/dbraw/zinc/78/51/60/204785160.db2.gz DEPQHNXYAPNQFY-HNNXBMFYSA-N 0 0 346.431 1.911 10 0 EDAERN O=C(Nc1ccccc1SC(F)F)C(=O)N1CCC[C@@H]1CO ZINC000121184509 204785236 /nfs/dbraw/zinc/78/52/36/204785236.db2.gz OERPBDJLDZHHPP-SECBINFHSA-N 0 0 330.356 1.923 10 0 EDAERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC1CCC1 ZINC000050652963 204841274 /nfs/dbraw/zinc/84/12/74/204841274.db2.gz YXCJLYWHPDPGQG-UHFFFAOYSA-N 0 0 332.447 1.210 10 0 EDAERN CN(C)c1ncc(NC(=O)N2CCO[C@H](c3nccs3)C2)cn1 ZINC000154938547 204985359 /nfs/dbraw/zinc/98/53/59/204985359.db2.gz DFMZCTZUPDPKNL-NSHDSACASA-N 0 0 334.405 1.605 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Sc1ccccn1 ZINC000127108101 205085253 /nfs/dbraw/zinc/08/52/53/205085253.db2.gz IXMBOMQCYMLBLG-NEPJUHHUSA-N 0 0 347.444 1.951 10 0 EDAERN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C[C@@H](O)C(C)C ZINC000126781671 205072630 /nfs/dbraw/zinc/07/26/30/205072630.db2.gz DPIYTVLVWGEOJY-DZGCQCFKSA-N 0 0 327.446 1.762 10 0 EDAERN CN(C)[C@@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000127738359 205115160 /nfs/dbraw/zinc/11/51/60/205115160.db2.gz GKKXJHBQVIARPS-NVXWUHKLSA-N 0 0 327.432 1.820 10 0 EDAERN COc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1OC ZINC000127852922 205119809 /nfs/dbraw/zinc/11/98/09/205119809.db2.gz QYFRZAYKWDWMQK-ZDUSSCGKSA-N 0 0 330.388 1.848 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC(CC(N)=O)CC1)CC2 ZINC000156621527 205104234 /nfs/dbraw/zinc/10/42/34/205104234.db2.gz CYLARNPIKAHIOB-CYBMUJFWSA-N 0 0 348.451 1.013 10 0 EDAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cccs1 ZINC000128392206 205146046 /nfs/dbraw/zinc/14/60/46/205146046.db2.gz AIKYMOPBNXFMCN-LBPRGKRZSA-N 0 0 338.458 1.828 10 0 EDAERN COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000128645478 205157061 /nfs/dbraw/zinc/15/70/61/205157061.db2.gz APNKMNPCBSJWAU-LBPRGKRZSA-N 0 0 347.350 1.228 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3ccc(OCCOC)cc3)CCO2)[nH]1 ZINC000129199105 205182674 /nfs/dbraw/zinc/18/26/74/205182674.db2.gz RMQPMXVWFLGWAM-MRXNPFEDSA-N 0 0 346.431 1.966 10 0 EDAERN O=C(NCC1([C@@H](O)c2ccccc2)CC1)N[C@H]1CCCn2ncnc21 ZINC000130269855 205230626 /nfs/dbraw/zinc/23/06/26/205230626.db2.gz OZGBOJSCCSFGJW-GJZGRUSLSA-N 0 0 341.415 1.926 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130596596 205246438 /nfs/dbraw/zinc/24/64/38/205246438.db2.gz CGJWBTGAXBMZII-PWSUYJOCSA-N 0 0 340.807 1.954 10 0 EDAERN CCNc1ncc(C(=O)N[C@@H]2CCCn3nc(COC)nc32)s1 ZINC000131409013 205286448 /nfs/dbraw/zinc/28/64/48/205286448.db2.gz AIPPTWFDCMVDJC-SECBINFHSA-N 0 0 336.421 1.578 10 0 EDAERN CO[C@@H]1CC[C@@H]2OCCN(Cc3nnnn3-c3ccccc3)[C@@H]2C1 ZINC000158191363 205305122 /nfs/dbraw/zinc/30/51/22/205305122.db2.gz FNCIWCLGQMNZEW-OAGGEKHMSA-N 0 0 329.404 1.431 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(OC)nc2)C1 ZINC000101778521 205566543 /nfs/dbraw/zinc/56/65/43/205566543.db2.gz VGYNIBYADCIMNG-AWEZNQCLSA-N 0 0 334.420 1.681 10 0 EDAERN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@H]1COCCN1 ZINC000238073272 139068274 /nfs/dbraw/zinc/06/82/74/139068274.db2.gz UGRVVGONRAEUKX-MZNJEOGPSA-N 0 0 344.436 1.921 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1nnnc1C(C)C ZINC000245411815 139072927 /nfs/dbraw/zinc/07/29/27/139072927.db2.gz YPQCTXCHQMDSRF-UPJWGTAASA-N 0 0 335.408 1.129 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)/C=C/c3cccc(O)c3)CCO2)c1 ZINC000153288227 205834490 /nfs/dbraw/zinc/83/44/90/205834490.db2.gz IDLXXWYWVLAKGR-RTRPANQVSA-N 0 0 327.384 1.838 10 0 EDAERN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C[C@H](C)O1 ZINC000008245926 205846916 /nfs/dbraw/zinc/84/69/16/205846916.db2.gz HHAXDPLYMJDFJX-OFQRWUPVSA-N 0 0 348.418 1.853 10 0 EDAERN O=C(Cc1cccc2ccccc21)NC[C@H](O)CN1CCOCC1 ZINC000154104338 205906572 /nfs/dbraw/zinc/90/65/72/205906572.db2.gz PJBSAGIMKMSFGC-KRWDZBQOSA-N 0 0 328.412 1.192 10 0 EDAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000154580474 205937204 /nfs/dbraw/zinc/93/72/04/205937204.db2.gz YEIQWHNCFWMMBP-UONOGXRCSA-N 0 0 338.429 1.426 10 0 EDAERN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1CNC(=O)C1 ZINC000155451693 206007849 /nfs/dbraw/zinc/00/78/49/206007849.db2.gz GOVQRVJNXLUSNM-VIFPVBQESA-N 0 0 338.289 1.966 10 0 EDAERN CS(=O)(=O)c1csc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000156501054 206083079 /nfs/dbraw/zinc/08/30/79/206083079.db2.gz MXVQOAUYZQYFPG-NHYWBVRUSA-N 0 0 343.470 1.919 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000156517144 206083759 /nfs/dbraw/zinc/08/37/59/206083759.db2.gz IJVMLTIYRFHWRM-GFCCVEGCSA-N 0 0 338.795 1.199 10 0 EDAERN CNc1ncc(Br)c(NC[C@H]2CCCS2(=O)=O)n1 ZINC000156860644 206103276 /nfs/dbraw/zinc/10/32/76/206103276.db2.gz IZVQEMJSVKOXHF-SSDOTTSWSA-N 0 0 335.227 1.270 10 0 EDAERN C[C@H](NC(=O)C1(NC(N)=O)CC1)c1ccccc1Br ZINC000157070299 206115545 /nfs/dbraw/zinc/11/55/45/206115545.db2.gz UDCXRTLVPXNXSG-QMMMGPOBSA-N 0 0 326.194 1.827 10 0 EDAERN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c2cnn(C(C)C)c2n1 ZINC000157482498 206137787 /nfs/dbraw/zinc/13/77/87/206137787.db2.gz ATBFSFXZJRQSBQ-BXUZGUMPSA-N 0 0 345.403 1.035 10 0 EDAERN O=C1NC(=O)C2(CC2)C(=O)N1Cc1cc(Br)cs1 ZINC000157703864 206152874 /nfs/dbraw/zinc/15/28/74/206152874.db2.gz KNYLLHORFYOYJM-UHFFFAOYSA-N 0 0 329.175 1.869 10 0 EDAERN CCc1nnc(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)[nH]1 ZINC000158374414 206188480 /nfs/dbraw/zinc/18/84/80/206188480.db2.gz MIXNNZBYSOKDGB-UHFFFAOYSA-N 0 0 331.468 1.636 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000158567137 206198379 /nfs/dbraw/zinc/19/83/79/206198379.db2.gz TUUUZZJXWDYIIN-BBRMVZONSA-N 0 0 342.399 1.478 10 0 EDAERN CCNc1nc(-c2cn[nH]n2)nc(CC)c1I ZINC000159014555 206220894 /nfs/dbraw/zinc/22/08/94/206220894.db2.gz NLNYXOOSWVPLHT-UHFFFAOYSA-N 0 0 344.160 1.861 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)C[C@H]1C ZINC000246076027 139093810 /nfs/dbraw/zinc/09/38/10/139093810.db2.gz BVDSDOLUGDCRIA-INMHGKMJSA-N 0 0 347.459 1.913 10 0 EDAERN C[C@@H]([C@@H](Cc1cc(F)cc(Br)c1)NN)S(C)(=O)=O ZINC000159763709 206261806 /nfs/dbraw/zinc/26/18/06/206261806.db2.gz RBOMJUJRALRYCH-WRWORJQWSA-N 0 0 339.230 1.396 10 0 EDAERN C[C@H]1CN(Cc2nc(N)c3ccccc3n2)C[C@H]1N1CCOCC1 ZINC000246430894 139108296 /nfs/dbraw/zinc/10/82/96/139108296.db2.gz LEILWUGJUZCRNI-XJKSGUPXSA-N 0 0 327.432 1.365 10 0 EDAERN C[C@H](c1cn(-c2ccccc2)nn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246555306 139112647 /nfs/dbraw/zinc/11/26/47/139112647.db2.gz ABUCRPATZJCBMQ-NVXWUHKLSA-N 0 0 338.415 1.926 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@@H]1N1CCOCC1 ZINC000246806512 139122512 /nfs/dbraw/zinc/12/25/12/139122512.db2.gz BMILGBYXBRYGPH-NJAFHUGGSA-N 0 0 331.460 1.468 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000246926665 139127260 /nfs/dbraw/zinc/12/72/60/139127260.db2.gz ZDMNSBXGVFDRLI-HOTGVXAUSA-N 0 0 342.443 1.459 10 0 EDAERN CC(C)c1nc(CCNC(=O)NC[C@@H](C)N2CCOCC2)cs1 ZINC000102443656 206329781 /nfs/dbraw/zinc/32/97/81/206329781.db2.gz FCNFIZZYRSZUGD-CYBMUJFWSA-N 0 0 340.493 1.829 10 0 EDAERN CC(C)n1ncc(Br)c1[C@H](NN)[C@H](C)S(C)(=O)=O ZINC000161484533 206352228 /nfs/dbraw/zinc/35/22/28/206352228.db2.gz ARJKGYCSUYSVMH-IONNQARKSA-N 0 0 339.259 1.164 10 0 EDAERN CN(C)S(=O)(=O)c1ccc(N)c(N2CCSC(C)(C)C2)c1 ZINC000158553723 206448080 /nfs/dbraw/zinc/44/80/80/206448080.db2.gz WNYQYUBPRJANKP-UHFFFAOYSA-N 0 0 329.491 1.851 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)no1 ZINC000105849282 206454515 /nfs/dbraw/zinc/45/45/15/206454515.db2.gz KCFFXURWYIQONU-LBPRGKRZSA-N 0 0 331.376 1.636 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(CC(=O)NCCC(C)(C)C)CC2)n1 ZINC000105864727 206454879 /nfs/dbraw/zinc/45/48/79/206454879.db2.gz KWSNGVHYGQFSPN-CYBMUJFWSA-N 0 0 337.468 1.609 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)C[C@@H]1C ZINC000247376352 139146374 /nfs/dbraw/zinc/14/63/74/139146374.db2.gz VJBGUPQYZBGLAD-ZWKOTPCHSA-N 0 0 347.503 1.994 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1CC(=O)c1ccc(Br)cc1 ZINC000168214774 206543816 /nfs/dbraw/zinc/54/38/16/206543816.db2.gz FLNFFLUWPQKEEW-ZWNOBZJWSA-N 0 0 328.206 1.713 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1CC(=O)c1ccccc1Br ZINC000168211345 206544165 /nfs/dbraw/zinc/54/41/65/206544165.db2.gz GYOQVGSVNZYHFB-MNOVXSKESA-N 0 0 328.206 1.713 10 0 EDAERN CCOC(=O)CCN(CC)C(=O)COc1cccn2cc(C)nc12 ZINC000169862201 206566890 /nfs/dbraw/zinc/56/68/90/206566890.db2.gz UXQBLSOGCZPLQX-UHFFFAOYSA-N 0 0 333.388 1.823 10 0 EDAERN CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000110344678 206554246 /nfs/dbraw/zinc/55/42/46/206554246.db2.gz HASPGONFXIDSPD-JTQLQIEISA-N 0 0 341.205 1.422 10 0 EDAERN C[C@]1(C(=O)NCc2ccc3c(c2)OCO3)CC(=O)N=C2C=CC=CN21 ZINC000170558309 206578796 /nfs/dbraw/zinc/57/87/96/206578796.db2.gz GGZVQQWHRLJPEZ-GOSISDBHSA-N 0 0 339.351 1.505 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1ccc(C)cc1=O ZINC000248751920 139174422 /nfs/dbraw/zinc/17/44/22/139174422.db2.gz HDGNXKIOHCIFSU-ZNMIVQPWSA-N 0 0 332.400 1.489 10 0 EDAERN CCCCN(C)S(=O)(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248785773 139175489 /nfs/dbraw/zinc/17/54/89/139175489.db2.gz XKHVVOPYWNMVMB-ZIAGYGMSSA-N 0 0 334.482 1.527 10 0 EDAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000249083430 139184937 /nfs/dbraw/zinc/18/49/37/139184937.db2.gz RZIAKSWKADHXGT-ZNMIVQPWSA-N 0 0 339.480 1.360 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000171661646 206732443 /nfs/dbraw/zinc/73/24/43/206732443.db2.gz ACVNNLGTRBZOMW-CQSZACIVSA-N 0 0 334.424 1.074 10 0 EDAERN C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000255710464 139208174 /nfs/dbraw/zinc/20/81/74/139208174.db2.gz PQZLKEWTWMOITE-LXTVHRRPSA-N 0 0 327.469 1.741 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000172359185 206819919 /nfs/dbraw/zinc/81/99/19/206819919.db2.gz OQTTWAIJGBSFGS-CQSZACIVSA-N 0 0 335.452 1.610 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CCN1C[C@@H](C)O ZINC000174643929 207041214 /nfs/dbraw/zinc/04/12/14/207041214.db2.gz LLJOTZKBIRKDRA-UKRRQHHQSA-N 0 0 344.415 1.654 10 0 EDAERN CC(=O)c1ccccc1C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000174806140 207061153 /nfs/dbraw/zinc/06/11/53/207061153.db2.gz WCLXVUWUISDMRC-HNNXBMFYSA-N 0 0 327.384 1.935 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)o1 ZINC000175341844 207117536 /nfs/dbraw/zinc/11/75/36/207117536.db2.gz VVZGFENEVMOVIH-QWHCGFSZSA-N 0 0 345.403 1.877 10 0 EDAERN CCc1cc(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3O)CC2)ncn1 ZINC000175468823 207130088 /nfs/dbraw/zinc/13/00/88/207130088.db2.gz RLDXMGYJHKKYPN-JKSUJKDBSA-N 0 0 347.463 1.611 10 0 EDAERN Cc1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1-n1cnnn1 ZINC000175910992 207172081 /nfs/dbraw/zinc/17/20/81/207172081.db2.gz RNZLBRUZXAXCNR-GFCCVEGCSA-N 0 0 339.363 1.219 10 0 EDAERN CN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000175982445 207179391 /nfs/dbraw/zinc/17/93/91/207179391.db2.gz DJNZABBGKBKFSN-JKSUJKDBSA-N 0 0 333.432 1.495 10 0 EDAERN COc1ccc(OC)c(CCNC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177343538 207323861 /nfs/dbraw/zinc/32/38/61/207323861.db2.gz MFDBILASNVBSRU-CQSZACIVSA-N 0 0 345.403 1.672 10 0 EDAERN CCOc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177403615 207331212 /nfs/dbraw/zinc/33/12/12/207331212.db2.gz HOBNUDPNHUJTHO-AWEZNQCLSA-N 0 0 331.416 1.721 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)SC[C@H](O)CO ZINC000177419943 207334809 /nfs/dbraw/zinc/33/48/09/207334809.db2.gz JMOMNWMAZJEXLM-UKRRQHHQSA-N 0 0 349.456 1.903 10 0 EDAERN COCCOc1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177354223 207325531 /nfs/dbraw/zinc/32/55/31/207325531.db2.gz XEMZRUBCQWRBTK-HNNXBMFYSA-N 0 0 345.403 1.638 10 0 EDAERN O=C(CSC[C@H](O)CO)NCc1ccc(F)cc1C(F)(F)F ZINC000177448621 207338963 /nfs/dbraw/zinc/33/89/63/207338963.db2.gz QFWOODCJWJBOGE-SNVBAGLBSA-N 0 0 341.326 1.547 10 0 EDAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](C)COCc1ccccc1 ZINC000177558116 207353712 /nfs/dbraw/zinc/35/37/12/207353712.db2.gz OVFRQAUTHFZUQF-ZDUSSCGKSA-N 0 0 330.384 1.584 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cccnc1OCC(F)(F)F ZINC000177565355 207356595 /nfs/dbraw/zinc/35/65/95/207356595.db2.gz ARTWIOFWSJJIKQ-SNVBAGLBSA-N 0 0 341.293 1.879 10 0 EDAERN Cc1cc(C)c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)c1 ZINC000177605631 207362107 /nfs/dbraw/zinc/36/21/07/207362107.db2.gz KEFPIHHOBJJZJW-HZPDHXFCSA-N 0 0 347.459 1.464 10 0 EDAERN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177628199 207365390 /nfs/dbraw/zinc/36/53/90/207365390.db2.gz SHSYJOSOQTYJEA-VIFPVBQESA-N 0 0 337.742 1.140 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000177732813 207386819 /nfs/dbraw/zinc/38/68/19/207386819.db2.gz NLLGSIFZBAOLAA-AWEZNQCLSA-N 0 0 337.387 1.741 10 0 EDAERN O=C(COc1cccc(N2CCCC2=O)c1)N[C@H]1CCCC[C@H]1CO ZINC000179232771 207594810 /nfs/dbraw/zinc/59/48/10/207594810.db2.gz NZBPHBHDCUTRRL-YOEHRIQHSA-N 0 0 346.427 1.860 10 0 EDAERN COC(=O)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc2ccccc2c1 ZINC000180561065 207798010 /nfs/dbraw/zinc/79/80/10/207798010.db2.gz HOMQXHSASMKOMG-GDBMZVCRSA-N 0 0 326.352 1.306 10 0 EDAERN COC1(CNC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CCC1 ZINC000181578948 207961888 /nfs/dbraw/zinc/96/18/88/207961888.db2.gz VXLRUSNRQDHEAF-ZDUSSCGKSA-N 0 0 349.435 1.092 10 0 EDAERN O=C([C@H]1CC(F)(F)CN1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000263179984 139326902 /nfs/dbraw/zinc/32/69/02/139326902.db2.gz GRBLOTPLFFOCCE-OLZOCXBDSA-N 0 0 332.297 1.862 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1cccn(C)c1=O)CC2 ZINC000181607487 207965994 /nfs/dbraw/zinc/96/59/94/207965994.db2.gz MNTAKRYRICFBSD-LLVKDONJSA-N 0 0 330.392 1.237 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)c(O)c3)C2=O)n(C)n1 ZINC000181140938 291935441 /nfs/dbraw/zinc/93/54/41/291935441.db2.gz YVNCXPDLDSDMHZ-AWEZNQCLSA-N 0 0 342.399 1.668 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCC(=O)NC3CCCCC3)C2)cn1 ZINC000116423523 220961545 /nfs/dbraw/zinc/96/15/45/220961545.db2.gz WQUVNTQHLXWBRJ-CQSZACIVSA-N 0 0 347.463 1.758 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2c(C)noc2C)C[C@@H]1CC ZINC000116899108 221008172 /nfs/dbraw/zinc/00/81/72/221008172.db2.gz XIUVGOHILHXLNF-AWEZNQCLSA-N 0 0 345.465 1.413 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cccc(C(=O)NC)c2)C[C@@H]1C ZINC000117438908 221063992 /nfs/dbraw/zinc/06/39/92/221063992.db2.gz JORZZKRDSCIBMK-AWEZNQCLSA-N 0 0 348.447 1.621 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC000117368528 221057560 /nfs/dbraw/zinc/05/75/60/221057560.db2.gz LBOISQJXBGHDRM-AWEZNQCLSA-N 0 0 344.452 1.698 10 0 EDAERN Nc1nn2c(nc(O)c(-c3ccccc3Br)c2=O)s1 ZINC000118699950 221171547 /nfs/dbraw/zinc/17/15/47/221171547.db2.gz HFSYKBVHMJLZPD-ZETCQYMHSA-N 0 0 339.174 1.234 10 0 EDAERN CSC[C@H](CCO)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000118988349 221217935 /nfs/dbraw/zinc/21/79/35/221217935.db2.gz YCYLKVJMYJQSSR-MNOVXSKESA-N 0 0 327.454 1.089 10 0 EDAERN CSC[C@H](CCO)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000118988260 221218368 /nfs/dbraw/zinc/21/83/68/221218368.db2.gz YCYLKVJMYJQSSR-QWRGUYRKSA-N 0 0 327.454 1.089 10 0 EDAERN O=C(NC[C@]1(CCO)CCOC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000119125712 221249534 /nfs/dbraw/zinc/24/95/34/221249534.db2.gz GYLKLONWUUUHEY-XNJGSVPQSA-N 0 0 325.355 1.974 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(F)ccc1F ZINC000155279385 224390218 /nfs/dbraw/zinc/39/02/18/224390218.db2.gz ADFWQEYQJFSBJC-CYBMUJFWSA-N 0 0 336.342 1.897 10 0 EDAERN COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)c1cc(C)ccn1)CC2 ZINC000247944118 257673350 /nfs/dbraw/zinc/67/33/50/257673350.db2.gz OHSSBWBPEGNGLQ-MRXNPFEDSA-N 0 0 345.443 1.737 10 0 EDAERN COCCCCS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000184761170 533269039 /nfs/dbraw/zinc/26/90/39/533269039.db2.gz LKEVIQPASIWYNC-AWEZNQCLSA-N 0 0 342.465 1.134 10 0 EDAERN CS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000174737115 533457033 /nfs/dbraw/zinc/45/70/33/533457033.db2.gz GHPFWXNAGIFXLL-ZDUSSCGKSA-N 0 0 349.416 1.551 10 0 EDAERN C/C=C\C(=O)N1CCN(c2ccc(-c3noc(CC)n3)cn2)CC1 ZINC000044094457 132414502 /nfs/dbraw/zinc/41/45/02/132414502.db2.gz TULYLOZUEHYYIM-HYXAFXHYSA-N 0 0 327.388 1.919 10 0 EDAERN CCn1cnnc1CNS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000328633564 140666612 /nfs/dbraw/zinc/66/66/12/140666612.db2.gz BABVOIWATFBOPD-UHFFFAOYSA-N 0 0 336.417 1.490 10 0 EDAERN C[C@@H](CC(=O)N1CCN(Cc2ccon2)CC1)N1CCCCC1=O ZINC000329932313 140783922 /nfs/dbraw/zinc/78/39/22/140783922.db2.gz PLARQKIPOVXBAH-AWEZNQCLSA-N 0 0 334.420 1.110 10 0 EDAERN O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC(O)(C2CC2)C1 ZINC000330086126 140801084 /nfs/dbraw/zinc/80/10/84/140801084.db2.gz LYQPTBQEQGZDOA-JTQLQIEISA-N 0 0 336.338 1.301 10 0 EDAERN Cc1nc(CN(C)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)cs1 ZINC000330267485 140825744 /nfs/dbraw/zinc/82/57/44/140825744.db2.gz ICYXSLOTEXNDCW-DOMZBBRYSA-N 0 0 347.444 1.363 10 0 EDAERN COc1ccc(N2CCN(C(=O)C[C@@H]3CCCCNC3=O)CC2)nc1 ZINC000333786256 141381567 /nfs/dbraw/zinc/38/15/67/141381567.db2.gz WLRXBSKVQCEDDV-AWEZNQCLSA-N 0 0 346.431 1.045 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(c3nc(C)nc4c3cnn4C)C2)no1 ZINC000195513679 148964692 /nfs/dbraw/zinc/96/46/92/148964692.db2.gz PKVGASUHHSZJBM-LBPRGKRZSA-N 0 0 327.392 1.822 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C[C@H](O)CC)CC2)C12CCC2 ZINC000248500782 286351895 /nfs/dbraw/zinc/35/18/95/286351895.db2.gz STGWZJMIJYHMHK-OWCLPIDISA-N 0 0 339.480 1.432 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@H](C)Cn1cccn1 ZINC000073814533 287265252 /nfs/dbraw/zinc/26/52/52/287265252.db2.gz FBZPYTPMZVIFNH-GJZGRUSLSA-N 0 0 335.452 1.562 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3ccc(C)nc3)CCO2)c1 ZINC000112112267 287339463 /nfs/dbraw/zinc/33/94/63/287339463.db2.gz GNIKYEGYLRXGEC-KRWDZBQOSA-N 0 0 343.431 1.548 10 0 EDAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCCn2ncnc21 ZINC000122164671 287377625 /nfs/dbraw/zinc/37/76/25/287377625.db2.gz MDJDPGKRMBYFOA-WCQYABFASA-N 0 0 345.382 1.225 10 0 EDAERN CC(C)(C)OC(=O)N(CC(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000123377067 287387913 /nfs/dbraw/zinc/38/79/13/287387913.db2.gz GYRYZBSCCDBJJA-NSHDSACASA-N 0 0 335.408 1.109 10 0 EDAERN COCCN[C@H](C(N)=O)c1ccc(Br)c2cccnc21 ZINC000166510814 226162983 /nfs/dbraw/zinc/16/29/83/226162983.db2.gz GNLVLFLATTUSQJ-ZDUSSCGKSA-N 0 0 338.205 1.760 10 0 EDAERN Nc1cc(NC(=O)[C@H]2CCCCS2(=O)=O)ccc1Br ZINC000167851062 226200645 /nfs/dbraw/zinc/20/06/45/226200645.db2.gz MUQSDVXHEHJKNY-LLVKDONJSA-N 0 0 347.234 1.937 10 0 EDAERN NC(=S)CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000169166674 226233060 /nfs/dbraw/zinc/23/30/60/226233060.db2.gz HZNOBJROEKYGIJ-UHFFFAOYSA-N 0 0 339.726 1.700 10 0 EDAERN O=C(NCCN1C(=O)CNC1=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000127722248 287443596 /nfs/dbraw/zinc/44/35/96/287443596.db2.gz VAOJXGXPXRLJFG-CYBMUJFWSA-N 0 0 334.351 1.054 10 0 EDAERN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000123400087 222271836 /nfs/dbraw/zinc/27/18/36/222271836.db2.gz UFVFKSLAWBXOHJ-FZMZJTMJSA-N 0 0 326.418 1.879 10 0 EDAERN C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1nnc2n1CCCC2 ZINC000135400437 287571285 /nfs/dbraw/zinc/57/12/85/287571285.db2.gz PIDCGYOJWHGDRQ-LLVKDONJSA-N 0 0 347.444 1.673 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CCOCC(F)F)CC2)n1 ZINC000189197337 272961561 /nfs/dbraw/zinc/96/15/61/272961561.db2.gz CDPNJXMBCZNNQU-UHFFFAOYSA-N 0 0 330.379 1.587 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(CCCS(C)(=O)=O)CC1 ZINC000191977876 272983508 /nfs/dbraw/zinc/98/35/08/272983508.db2.gz YYKFDYPZBCGGRV-UHFFFAOYSA-N 0 0 348.509 1.159 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(c2nccc(OCC)n2)CC1 ZINC000193379284 272991893 /nfs/dbraw/zinc/99/18/93/272991893.db2.gz BDAGXWWFAVLNTA-OAHLLOKOSA-N 0 0 338.452 1.175 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](OCCO)C1)C(C)C ZINC000178621705 267574894 /nfs/dbraw/zinc/57/48/94/267574894.db2.gz UOYCYWSIBQNWPR-GDBMZVCRSA-N 0 0 328.453 1.173 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000194827475 267866514 /nfs/dbraw/zinc/86/65/14/267866514.db2.gz OXHHMGKKFNRQDI-MWLCHTKSSA-N 0 0 330.306 1.941 10 0 EDAERN CC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2C(C)=O)CC1 ZINC000118857033 272925113 /nfs/dbraw/zinc/92/51/13/272925113.db2.gz TXUCBFIZTUSORO-HNNXBMFYSA-N 0 0 333.432 1.216 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)c1 ZINC000155589701 287662064 /nfs/dbraw/zinc/66/20/64/287662064.db2.gz GAVMLCPXIXKWAK-UHFFFAOYSA-N 0 0 341.346 1.307 10 0 EDAERN Cc1ccccc1CS(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246401252 287739026 /nfs/dbraw/zinc/73/90/26/287739026.db2.gz DFPNWCKLURNMJS-RDJZCZTQSA-N 0 0 338.473 1.477 10 0 EDAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000249616178 287812303 /nfs/dbraw/zinc/81/23/03/287812303.db2.gz SUTMVNQCHZOOBE-WNOSKKOXSA-N 0 0 343.427 1.237 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000186693944 276315290 /nfs/dbraw/zinc/31/52/90/276315290.db2.gz NMSYMRQTAZIABR-HOCLYGCPSA-N 0 0 339.480 1.552 10 0 EDAERN CCc1nc([C@@H](C)NC(=O)N2CCN(C[C@@H](O)CC)CC2)cs1 ZINC000181746965 276701273 /nfs/dbraw/zinc/70/12/73/276701273.db2.gz LCJUGSKSSCGDCV-OLZOCXBDSA-N 0 0 340.493 1.865 10 0 EDAERN CO[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000245674520 277285379 /nfs/dbraw/zinc/28/53/79/277285379.db2.gz STKFLQMAVKXJFX-INMHGKMJSA-N 0 0 334.391 1.983 10 0 EDAERN CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cnn2ccncc12 ZINC000192239348 278329806 /nfs/dbraw/zinc/32/98/06/278329806.db2.gz AYEVJPYVYKBAIN-UHFFFAOYSA-N 0 0 341.337 1.828 10 0 EDAERN CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(N)=O)C1 ZINC000040441645 278398389 /nfs/dbraw/zinc/39/83/89/278398389.db2.gz YVQUDJUGLPUGDQ-SNVBAGLBSA-N 0 0 329.397 1.328 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000081580209 279134771 /nfs/dbraw/zinc/13/47/71/279134771.db2.gz QQCGXZWAVRBTRY-NSHDSACASA-N 0 0 343.412 1.896 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc2c(c1)c(C)nn2C ZINC000177722100 279135025 /nfs/dbraw/zinc/13/50/25/279135025.db2.gz NWAPJGDJGUCSBT-ZDUSSCGKSA-N 0 0 325.376 1.442 10 0 EDAERN Cc1nn(C)c2c1N(C(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)CCO2 ZINC000329149758 279201760 /nfs/dbraw/zinc/20/17/60/279201760.db2.gz ZBZRUFIMPLHHRB-TZMCWYRMSA-N 0 0 341.415 1.621 10 0 EDAERN Cc1oc(C(=O)N[C@H]2CCOc3ccccc32)cc1S(N)(=O)=O ZINC000088241199 279272762 /nfs/dbraw/zinc/27/27/62/279272762.db2.gz MFYZCGQRCBKXGY-NSHDSACASA-N 0 0 336.369 1.489 10 0 EDAERN O=C(CN1CC2(CCOCC2)c2ccccc21)NC(=O)NC1CC1 ZINC000192287386 279764213 /nfs/dbraw/zinc/76/42/13/279764213.db2.gz QPYFYSCZALMYAB-UHFFFAOYSA-N 0 0 329.400 1.543 10 0 EDAERN CC(C)[C@H]1N(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@]12CCCO2 ZINC000333984199 280452530 /nfs/dbraw/zinc/45/25/30/280452530.db2.gz FHJVHQNIRLGOHP-CZUORRHYSA-N 0 0 344.477 1.553 10 0 EDAERN CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742810 280693675 /nfs/dbraw/zinc/69/36/75/280693675.db2.gz HICMNAGUHNFJMX-GFCCVEGCSA-N 0 0 340.855 1.744 10 0 EDAERN Cc1cccc2ncnc(N3CCN(c4ccc5nncn5n4)CC3)c12 ZINC000176807012 281323513 /nfs/dbraw/zinc/32/35/13/281323513.db2.gz MATMFDOSKUELAA-UHFFFAOYSA-N 0 0 346.398 1.703 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)ccc1Cl ZINC000091785148 295119757 /nfs/dbraw/zinc/11/97/57/295119757.db2.gz UNWHFVFSTYWXAP-JTQLQIEISA-N 0 0 347.596 1.429 10 0 EDAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113888394 303598565 /nfs/dbraw/zinc/59/85/65/303598565.db2.gz XHBCAHATTVOMGR-CYBMUJFWSA-N 0 0 345.403 1.328 10 0 EDAERN O=C(CSCC(=O)N1CCOCC1)N1CCC[C@@H]1c1ccco1 ZINC000116211030 303637370 /nfs/dbraw/zinc/63/73/70/303637370.db2.gz LWDKJFJMPYADPG-CYBMUJFWSA-N 0 0 338.429 1.535 10 0 EDAERN COc1cc([C@@]2(O)c3ccccc3C3=NCCN32)cc(OC)c1OC ZINC000001861990 440853137 /nfs/dbraw/zinc/85/31/37/440853137.db2.gz OOCXBILTCDDTIT-LJQANCHMSA-N 0 0 340.379 1.982 10 0 EDAERN O=S(=O)(Nc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000005364191 440951042 /nfs/dbraw/zinc/95/10/42/440951042.db2.gz YNZVZHSFUJCJSH-LBPRGKRZSA-N 0 0 325.411 1.769 10 0 EDAERN O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCCCCC1 ZINC000006893595 441023320 /nfs/dbraw/zinc/02/33/20/441023320.db2.gz YXDCKSBNJFSJEY-UHFFFAOYSA-N 0 0 325.434 1.815 10 0 EDAERN CNC(=O)NC(=O)[C@H](C)Oc1ccc(C=O)cc1Br ZINC000009363470 441105752 /nfs/dbraw/zinc/10/57/52/441105752.db2.gz QHQCIUBKKRMACJ-ZETCQYMHSA-N 0 0 329.150 1.485 10 0 EDAERN C[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc2c(c1)CC(=O)N2 ZINC000046258803 441095839 /nfs/dbraw/zinc/09/58/39/441095839.db2.gz ZOEWGVIQCXMBSQ-QWHCGFSZSA-N 0 0 346.431 1.262 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1F ZINC000081073713 441228684 /nfs/dbraw/zinc/22/86/84/441228684.db2.gz WPAVKHQIOLHPRE-LLVKDONJSA-N 0 0 328.344 1.678 10 0 EDAERN CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@H]1O ZINC000105824024 441279681 /nfs/dbraw/zinc/27/96/81/441279681.db2.gz CJDRUOGAGYHKKD-OVFMRGAPSA-N 0 0 326.440 1.555 10 0 EDAERN O=C(Nc1cccnc1N1CCOCC1)N[C@H]1CCCC[C@H]1CO ZINC000081610125 441296021 /nfs/dbraw/zinc/29/60/21/441296021.db2.gz QCHUTANEKFXGBM-KBPBESRZSA-N 0 0 334.420 1.591 10 0 EDAERN COCCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C[C@H]1C ZINC000105833874 441287268 /nfs/dbraw/zinc/28/72/68/441287268.db2.gz BMSSQRUUFCIRRC-BRWVUGGUSA-N 0 0 325.497 1.676 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2ccccc2OC)C[C@@H]1C ZINC000105834615 441287840 /nfs/dbraw/zinc/28/78/40/441287840.db2.gz NGNVEWLFBVKSKF-INIZCTEOSA-N 0 0 349.475 1.354 10 0 EDAERN C[C@H](CNC(=O)NCCCN(C)c1ccccc1)N1CCOCC1 ZINC000047958304 441242924 /nfs/dbraw/zinc/24/29/24/441242924.db2.gz BXUUEVKMMPNAGE-MRXNPFEDSA-N 0 0 334.464 1.533 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000048499504 441309780 /nfs/dbraw/zinc/30/97/80/441309780.db2.gz YFOCXGFAONKZII-ZIAGYGMSSA-N 0 0 347.415 1.800 10 0 EDAERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1cccc(F)c1 ZINC000105903949 441315092 /nfs/dbraw/zinc/31/50/92/441315092.db2.gz VBJLTPJZFTZAKP-INIZCTEOSA-N 0 0 332.379 1.752 10 0 EDAERN O=C(NCCOc1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000025984829 441363944 /nfs/dbraw/zinc/36/39/44/441363944.db2.gz DDIOOWALCABNLK-QGZVFWFLSA-N 0 0 337.383 1.652 10 0 EDAERN COc1ccc(CN(C)C(=O)N[C@H]2CCCn3nc(C)nc32)cc1O ZINC000083750045 441374452 /nfs/dbraw/zinc/37/44/52/441374452.db2.gz NKZPDHRHJXLPMV-ZDUSSCGKSA-N 0 0 345.403 1.977 10 0 EDAERN Cc1ccc(C(=O)Nc2nccnc2C(=O)N2CCOCC2)cc1 ZINC000065228587 441408699 /nfs/dbraw/zinc/40/86/99/441408699.db2.gz RJGKTEGYRIZPTC-UHFFFAOYSA-N 0 0 326.356 1.510 10 0 EDAERN COCc1ccc(CNC(=O)CN2CCCC[C@H]2C(=O)OC)cc1 ZINC000052307264 441445618 /nfs/dbraw/zinc/44/56/18/441445618.db2.gz PQLXEXOVTNHBHO-INIZCTEOSA-N 0 0 334.416 1.477 10 0 EDAERN COCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC000086431669 441465385 /nfs/dbraw/zinc/46/53/85/441465385.db2.gz QZWRJOVSHOPIGM-OAHLLOKOSA-N 0 0 342.399 1.662 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1ccc(Cl)cc1 ZINC000086432345 441465865 /nfs/dbraw/zinc/46/58/65/441465865.db2.gz IGNMSFFPIDIZAI-SNVBAGLBSA-N 0 0 333.775 1.855 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)[C@H]2CNC(=O)C2)cc1Br ZINC000110347579 441516859 /nfs/dbraw/zinc/51/68/59/441516859.db2.gz VPMJPCFAMMVJQR-PSASIEDQSA-N 0 0 341.205 1.771 10 0 EDAERN CC(C)NC(=O)Nc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112656585 441552563 /nfs/dbraw/zinc/55/25/63/441552563.db2.gz QOKYTSABBIEYGY-AWEZNQCLSA-N 0 0 342.403 1.553 10 0 EDAERN C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112741702 441556710 /nfs/dbraw/zinc/55/67/10/441556710.db2.gz XMDCAEZBQDTAQI-OCCSQVGLSA-N 0 0 329.404 1.619 10 0 EDAERN CCN(CCCNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112741179 441556920 /nfs/dbraw/zinc/55/69/20/441556920.db2.gz PLQZBQYSUALNOX-HNNXBMFYSA-N 0 0 342.447 1.809 10 0 EDAERN CN(CCCNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112740524 441557187 /nfs/dbraw/zinc/55/71/87/441557187.db2.gz QSVJPBUEHGYHIX-AWEZNQCLSA-N 0 0 328.420 1.419 10 0 EDAERN O=C(NCc1ccc2c(c1)OCCCO2)N[C@@H]1CCc2ncnn2C1 ZINC000112748377 441557828 /nfs/dbraw/zinc/55/78/28/441557828.db2.gz RXJGHXGKTFDLSY-CYBMUJFWSA-N 0 0 343.387 1.254 10 0 EDAERN CN(CCCCNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112745550 441558001 /nfs/dbraw/zinc/55/80/01/441558001.db2.gz BWHZXTHHWVLEBZ-HNNXBMFYSA-N 0 0 342.447 1.809 10 0 EDAERN O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000113967131 441629372 /nfs/dbraw/zinc/62/93/72/441629372.db2.gz FCIWQVTUJFSXJC-UWVGGRQHSA-N 0 0 335.326 1.556 10 0 EDAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H](C)COCc1ccccc1 ZINC000173338145 441717453 /nfs/dbraw/zinc/71/74/53/441717453.db2.gz YTKHMURMDMPOKD-GDBMZVCRSA-N 0 0 333.432 1.758 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000158188437 441703318 /nfs/dbraw/zinc/70/33/18/441703318.db2.gz AKXMFKWQWYQBBO-VIFPVBQESA-N 0 0 326.282 1.660 10 0 EDAERN CCC1(CC)[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C[C@H]1OC ZINC000158225937 441707498 /nfs/dbraw/zinc/70/74/98/441707498.db2.gz DYARTVIASUHRKN-ARFHVFGLSA-N 0 0 339.480 1.696 10 0 EDAERN COc1ccc(C(=O)NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000173316997 441710771 /nfs/dbraw/zinc/71/07/71/441710771.db2.gz LCJCIBAMRAMSEF-MRXNPFEDSA-N 0 0 342.399 1.522 10 0 EDAERN Cc1cc(C[C@H](C)NC(=O)N2CCC(Nc3cccnn3)CC2)[nH]n1 ZINC000158330866 441725418 /nfs/dbraw/zinc/72/54/18/441725418.db2.gz DROQBKIWTCNFSK-LBPRGKRZSA-N 0 0 343.435 1.725 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc3c1oc(=O)n3C)CC2 ZINC000121533482 441727016 /nfs/dbraw/zinc/72/70/16/441727016.db2.gz AZPBMCWIWDDZJD-SNVBAGLBSA-N 0 0 341.371 1.030 10 0 EDAERN Cc1ccn(-c2ccc(N3CCN(CC4CCCC4)C(=O)C3)nn2)n1 ZINC000158344969 441728216 /nfs/dbraw/zinc/72/82/16/441728216.db2.gz RXZKYQFWYXZGCK-UHFFFAOYSA-N 0 0 340.431 1.810 10 0 EDAERN CSC1(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)CCOCC1 ZINC000173509214 441773711 /nfs/dbraw/zinc/77/37/11/441773711.db2.gz JXPLXSCDDVOMDE-CYBMUJFWSA-N 0 0 338.477 1.831 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4ccccc4oc3=O)CCO2)[nH]1 ZINC000173522953 441777172 /nfs/dbraw/zinc/77/71/72/441777172.db2.gz HWRIKTVMBVPJKX-AWEZNQCLSA-N 0 0 340.339 1.433 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)CCO2)[nH]1 ZINC000173552156 441788629 /nfs/dbraw/zinc/78/86/29/441788629.db2.gz UFSSYYLHPZJWIB-OAHLLOKOSA-N 0 0 338.371 1.717 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)CCO2)[nH]1 ZINC000173559368 441791761 /nfs/dbraw/zinc/79/17/61/441791761.db2.gz RRBOLBLZGHQOGT-HNNXBMFYSA-N 0 0 339.399 1.991 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)COc3cc(C)ccc3C)CCO2)[nH]1 ZINC000173563290 441792776 /nfs/dbraw/zinc/79/27/76/441792776.db2.gz BGEILTPWOCCAMY-OAHLLOKOSA-N 0 0 344.415 1.963 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3)CCO2)[nH]1 ZINC000173574687 441796584 /nfs/dbraw/zinc/79/65/84/441796584.db2.gz XKSZYDLHFFEMIP-JSGCOSHPSA-N 0 0 330.388 1.735 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3)CCO2)[nH]1 ZINC000173574663 441797502 /nfs/dbraw/zinc/79/75/02/441797502.db2.gz XKSZYDLHFFEMIP-OCCSQVGLSA-N 0 0 330.388 1.735 10 0 EDAERN COC(=O)c1c(C)[nH]c(C(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000116317022 441810807 /nfs/dbraw/zinc/81/08/07/441810807.db2.gz UFHJMTFYVHMADE-CYBMUJFWSA-N 0 0 344.415 1.824 10 0 EDAERN Cc1nc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)sc1C ZINC000173646657 441813352 /nfs/dbraw/zinc/81/33/52/441813352.db2.gz YLJUHCHQANLBLA-ZDUSSCGKSA-N 0 0 326.466 1.406 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2ccccc2)ncn1 ZINC000173898726 441859362 /nfs/dbraw/zinc/85/93/62/441859362.db2.gz XSUYDAGBUVRYPU-ZDUSSCGKSA-N 0 0 347.444 1.466 10 0 EDAERN COCCN1CCN(C(=O)c2coc(Br)c2)C[C@@H]1C ZINC000117284621 441867544 /nfs/dbraw/zinc/86/75/44/441867544.db2.gz DLVPQYRDHDTMLG-JTQLQIEISA-N 0 0 331.210 1.835 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H]1C ZINC000117289365 441867657 /nfs/dbraw/zinc/86/76/57/441867657.db2.gz MFYHOHXVVBRWKE-AWEZNQCLSA-N 0 0 329.404 1.060 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)C[C@H]1C ZINC000117296234 441869188 /nfs/dbraw/zinc/86/91/88/441869188.db2.gz SYVCEBDKFUTKNY-CQSZACIVSA-N 0 0 333.432 1.746 10 0 EDAERN COCCCOc1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000173694098 441825526 /nfs/dbraw/zinc/82/55/26/441825526.db2.gz GRXKPNWURYFVKE-AWEZNQCLSA-N 0 0 330.388 1.438 10 0 EDAERN COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)cc2cccnc21 ZINC000139854525 441826836 /nfs/dbraw/zinc/82/68/36/441826836.db2.gz WERGZFLONVMNFI-UHFFFAOYSA-N 0 0 337.335 1.822 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(-n3nnnc3C)c2)C1 ZINC000077673808 441827737 /nfs/dbraw/zinc/82/77/37/441827737.db2.gz AHAZITGUDLLKEJ-CQSZACIVSA-N 0 0 343.391 1.103 10 0 EDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)[nH]1 ZINC000173740695 441831919 /nfs/dbraw/zinc/83/19/19/441831919.db2.gz KISFWDVUOOOBRR-NSHDSACASA-N 0 0 340.380 1.268 10 0 EDAERN CCOCCN1CCN(C(=O)c2snnc2CC)C[C@@H]1CC ZINC000116767393 441840860 /nfs/dbraw/zinc/84/08/60/441840860.db2.gz IXTWDRZCSNOZCU-LBPRGKRZSA-N 0 0 326.466 1.673 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000173840888 441847951 /nfs/dbraw/zinc/84/79/51/441847951.db2.gz MLUPZZVHBKTKTD-YJBOKZPZSA-N 0 0 340.427 1.665 10 0 EDAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C(=O)N1CCCCC1 ZINC000141319918 441849931 /nfs/dbraw/zinc/84/99/31/441849931.db2.gz MHWKDFOMBSZCTL-DAYGRLMNSA-N 0 0 337.464 1.724 10 0 EDAERN COc1ccccc1OCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173849058 441850510 /nfs/dbraw/zinc/85/05/10/441850510.db2.gz BLJDXAFBVGBQEW-GJZGRUSLSA-N 0 0 334.416 1.253 10 0 EDAERN CCOc1ccc(OCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000173860144 441851610 /nfs/dbraw/zinc/85/16/10/441851610.db2.gz IMLMDPIRWSSQRB-YJBOKZPZSA-N 0 0 348.443 1.643 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)s1 ZINC000119011587 441913903 /nfs/dbraw/zinc/91/39/03/441913903.db2.gz IGKGXPYHQROAHR-CYBMUJFWSA-N 0 0 335.429 1.941 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)NCCn2cc(C)cn2)cc1 ZINC000117808992 441880019 /nfs/dbraw/zinc/88/00/19/441880019.db2.gz ZJRSJIYCFJUBOQ-UHFFFAOYSA-N 0 0 329.400 1.908 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000118065117 441884480 /nfs/dbraw/zinc/88/44/80/441884480.db2.gz CGCFJILAQZPLGO-AWEZNQCLSA-N 0 0 329.404 1.196 10 0 EDAERN CCOc1cc([C@@H]2NC(=O)[C@@H]3COCCN23)cc(Cl)c1OC ZINC000093884534 441898554 /nfs/dbraw/zinc/89/85/54/441898554.db2.gz CKFJIEOKXRRPIG-SMDDNHRTSA-N 0 0 326.780 1.577 10 0 EDAERN C[C@H](CC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)c1cccc(F)c1 ZINC000174816335 441971559 /nfs/dbraw/zinc/97/15/59/441971559.db2.gz BCLZNDLHJXFDNF-BXUZGUMPSA-N 0 0 330.363 1.757 10 0 EDAERN NC(=O)c1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)nc1 ZINC000174865527 441976853 /nfs/dbraw/zinc/97/68/53/441976853.db2.gz IZGXXEYPIMTJDR-NVXWUHKLSA-N 0 0 339.395 1.909 10 0 EDAERN CC[C@H]1CN(CC(=O)[N-]OCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000119398451 441931909 /nfs/dbraw/zinc/93/19/09/441931909.db2.gz VYEHIEJMPPJVBY-WBVHZDCISA-N 0 0 335.448 1.011 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](CC(C)C)N1CCCCC1=O ZINC000119399955 441932424 /nfs/dbraw/zinc/93/24/24/441932424.db2.gz VNWOLSUNMZKMPN-LSDHHAIUSA-N 0 0 347.463 1.965 10 0 EDAERN C[C@@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)CN1CCOCC1 ZINC000150712778 441933625 /nfs/dbraw/zinc/93/36/25/441933625.db2.gz UVAZGOKXXOLOAC-GJZGRUSLSA-N 0 0 348.447 1.281 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119416221 441934292 /nfs/dbraw/zinc/93/42/92/441934292.db2.gz HRHKRKKRVOQTDY-RDTXWAMCSA-N 0 0 330.432 1.844 10 0 EDAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000119434860 441935070 /nfs/dbraw/zinc/93/50/70/441935070.db2.gz BUNPBKMQRNQHDU-UHFFFAOYSA-N 0 0 330.363 1.904 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1nc[nH]n1)C(C)C ZINC000174555015 441937257 /nfs/dbraw/zinc/93/72/57/441937257.db2.gz XWERYJMPOJOLBP-FZMZJTMJSA-N 0 0 345.403 1.445 10 0 EDAERN Cn1nccc1C1CCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000124632738 441940610 /nfs/dbraw/zinc/94/06/10/441940610.db2.gz CPAXAPJMFFBAFM-RHSMWYFYSA-N 0 0 348.472 1.580 10 0 EDAERN CC[C@H]1CN(C(=O)CCC(=O)c2ccccc2)CCN1C[C@@H](C)O ZINC000174590802 441941730 /nfs/dbraw/zinc/94/17/30/441941730.db2.gz ZAABMWDFXKOTDX-WBVHZDCISA-N 0 0 332.444 1.953 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)O1 ZINC000150795771 441952130 /nfs/dbraw/zinc/95/21/30/441952130.db2.gz MTSHTJXDKKZRSZ-BBRMVZONSA-N 0 0 331.416 1.580 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150791838 441952445 /nfs/dbraw/zinc/95/24/45/441952445.db2.gz DJLMFUQCFCMRLO-ZFWWWQNUSA-N 0 0 333.432 1.787 10 0 EDAERN CN(CC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ncnc2nc[nH]c21 ZINC000095955474 441959227 /nfs/dbraw/zinc/95/92/27/441959227.db2.gz YXVBLHUZAJYDGK-CHWSQXEVSA-N 0 0 328.420 1.828 10 0 EDAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124885268 441963557 /nfs/dbraw/zinc/96/35/57/441963557.db2.gz DZFFFCPGEHHKDP-AWEZNQCLSA-N 0 0 336.461 1.438 10 0 EDAERN CCc1cc(=O)[nH]c(CN2CCN(Cc3cnc(C)s3)CC2)n1 ZINC000120007634 441992354 /nfs/dbraw/zinc/99/23/54/441992354.db2.gz BXIXWODBNANIBC-UHFFFAOYSA-N 0 0 333.461 1.827 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)Oc1ccc(F)cc1 ZINC000175001708 441992506 /nfs/dbraw/zinc/99/25/06/441992506.db2.gz DYJGKJTWJCVBSF-ZIAGYGMSSA-N 0 0 339.411 1.613 10 0 EDAERN Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000175001593 441992884 /nfs/dbraw/zinc/99/28/84/441992884.db2.gz HEKOESUHQXQTHJ-HOTGVXAUSA-N 0 0 335.448 1.782 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1C[C@@H]2CCCN2C[C@@H]1CC ZINC000174971748 441990294 /nfs/dbraw/zinc/99/02/94/441990294.db2.gz YXORBEJVZNDGIJ-GJZGRUSLSA-N 0 0 330.494 1.677 10 0 EDAERN Cc1ccccc1O[C@H](C)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175116485 442005806 /nfs/dbraw/zinc/00/58/06/442005806.db2.gz VZMHMANRIPPDSV-ZIAGYGMSSA-N 0 0 329.404 1.668 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CCc1ccncc1)CC2 ZINC000161573509 442012332 /nfs/dbraw/zinc/01/23/32/442012332.db2.gz VCJQROIBANLLLJ-HNNXBMFYSA-N 0 0 342.447 1.995 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCc3cccc(F)c3)CCO2)[nH]1 ZINC000175329330 442042441 /nfs/dbraw/zinc/04/24/41/442042441.db2.gz HVQNKSQHYZZDHZ-AWEZNQCLSA-N 0 0 333.367 1.578 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc2ccccc2n1 ZINC000079549349 442060356 /nfs/dbraw/zinc/06/03/56/442060356.db2.gz ZFFFJUGEGGGOHC-AWEZNQCLSA-N 0 0 348.428 1.773 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1c(F)cccc1F ZINC000079710162 442078823 /nfs/dbraw/zinc/07/88/23/442078823.db2.gz TVJNOFKLLKRLEV-INIZCTEOSA-N 0 0 347.365 1.903 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000175715195 442110508 /nfs/dbraw/zinc/11/05/08/442110508.db2.gz XPRIUKIGLYGTLG-WCQYABFASA-N 0 0 328.376 1.439 10 0 EDAERN C[C@H](NC(=O)NCC[S@](=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000126438294 442111943 /nfs/dbraw/zinc/11/19/43/442111943.db2.gz KBFRYOMURVLIQD-BSNNYGBQSA-N 0 0 341.481 1.522 10 0 EDAERN Cc1sc(CCNC(=O)[C@@H]2CNC(=O)C2)nc1-c1ccccc1 ZINC000175754596 442116294 /nfs/dbraw/zinc/11/62/94/442116294.db2.gz DPAGEAOYTBDYPW-ZDUSSCGKSA-N 0 0 329.425 1.913 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)cc1F ZINC000120685294 442117307 /nfs/dbraw/zinc/11/73/07/442117307.db2.gz VUQZJGJZENMLDS-SECBINFHSA-N 0 0 326.349 1.866 10 0 EDAERN COc1cc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)on1 ZINC000126559336 442122694 /nfs/dbraw/zinc/12/26/94/442122694.db2.gz KHDGASUFPWARIT-LLVKDONJSA-N 0 0 331.376 1.978 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)n1 ZINC000120730781 442123862 /nfs/dbraw/zinc/12/38/62/442123862.db2.gz WGUBLFUOUGXPIU-CABCVRRESA-N 0 0 349.435 1.881 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnc(N(C)C)nc2)cc1 ZINC000162902825 442130184 /nfs/dbraw/zinc/13/01/84/442130184.db2.gz IBRWXMAIJABUOT-GFCCVEGCSA-N 0 0 341.415 1.921 10 0 EDAERN COC(=O)[C@H](c1ccccc1C)N1CCO[C@H](Cn2cccn2)C1 ZINC000162957569 442134633 /nfs/dbraw/zinc/13/46/33/442134633.db2.gz XGAPVXFXYCGXTB-RDJZCZTQSA-N 0 0 329.400 1.807 10 0 EDAERN C[C@H](NC(=O)NCc1ccccc1CS(C)(=O)=O)[C@H]1CCCO1 ZINC000175856555 442135044 /nfs/dbraw/zinc/13/50/44/442135044.db2.gz SCOMAFLBMQRBEI-SWLSCSKDSA-N 0 0 340.445 1.598 10 0 EDAERN Cc1cccc(CN2CCN(C(=O)CN3[C@H](C)COC[C@H]3C)CC2)c1 ZINC000120835461 442140077 /nfs/dbraw/zinc/14/00/77/442140077.db2.gz NNEQMDASRRMITE-QZTJIDSGSA-N 0 0 345.487 1.748 10 0 EDAERN CC(C)CCn1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)nn1 ZINC000152126894 442168201 /nfs/dbraw/zinc/16/82/01/442168201.db2.gz CVNCPMWGLPUIRS-AWEZNQCLSA-N 0 0 331.424 1.468 10 0 EDAERN CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000121336260 442204602 /nfs/dbraw/zinc/20/46/02/442204602.db2.gz JPJMPPSEPXHMJS-IUODEOHRSA-N 0 0 340.445 1.865 10 0 EDAERN COc1cccc(OC)c1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000121171248 442186710 /nfs/dbraw/zinc/18/67/10/442186710.db2.gz MQVODEHSGFIBBW-CQSZACIVSA-N 0 0 344.415 1.777 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000121284871 442199427 /nfs/dbraw/zinc/19/94/27/442199427.db2.gz XPUFDMCISGXEEV-LLVKDONJSA-N 0 0 341.770 1.545 10 0 EDAERN CC(C)CC(=O)NCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000121288719 442199729 /nfs/dbraw/zinc/19/97/29/442199729.db2.gz NUTPEJBPKHHANN-AWEZNQCLSA-N 0 0 333.436 1.114 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCCc1nc(C2CC2)no1 ZINC000176288559 442205493 /nfs/dbraw/zinc/20/54/93/442205493.db2.gz VDUGYMJJIBMXCP-LBPRGKRZSA-N 0 0 330.392 1.821 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@H]3CCCS3)CCO2)n1 ZINC000126917286 442154402 /nfs/dbraw/zinc/15/44/02/442154402.db2.gz NOTGQRYSCULLEG-LSDHHAIUSA-N 0 0 338.477 1.806 10 0 EDAERN CCC[C@@H](C(=O)Nc1nnc(CCCC(=O)OC)s1)N(C)C ZINC000163300639 442156556 /nfs/dbraw/zinc/15/65/56/442156556.db2.gz YRADTHFUCZJKBW-JTQLQIEISA-N 0 0 328.438 1.703 10 0 EDAERN CCn1cc(NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)ccc1=O ZINC000120971265 442159113 /nfs/dbraw/zinc/15/91/13/442159113.db2.gz SWERNKNUYQGJIG-ZDUSSCGKSA-N 0 0 344.419 1.720 10 0 EDAERN CSc1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1Cl ZINC000120980277 442160191 /nfs/dbraw/zinc/16/01/91/442160191.db2.gz ZZPLFGOQCBYAOZ-JTQLQIEISA-N 0 0 328.821 1.984 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(F)c(F)cc1F ZINC000176748811 442252876 /nfs/dbraw/zinc/25/28/76/442252876.db2.gz DIBDYFCLCOXDOB-JTQLQIEISA-N 0 0 332.307 1.509 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c2ncccc12 ZINC000166898784 442218512 /nfs/dbraw/zinc/21/85/12/442218512.db2.gz WFUCMYPSPFASSY-AWEZNQCLSA-N 0 0 340.383 1.219 10 0 EDAERN Cn1cc(C(=O)C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cn1 ZINC000176419802 442220215 /nfs/dbraw/zinc/22/02/15/442220215.db2.gz WNJBTGDHFCVRRD-ZDUSSCGKSA-N 0 0 342.403 1.284 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1cccc(Cl)c1 ZINC000176437507 442221926 /nfs/dbraw/zinc/22/19/26/442221926.db2.gz ROIYNGLPKRTIGM-IUODEOHRSA-N 0 0 341.839 1.737 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2nccnc2N)N2CCOCC2)s1 ZINC000176558177 442233807 /nfs/dbraw/zinc/23/38/07/442233807.db2.gz ICBMBUUEEWLNKD-LBPRGKRZSA-N 0 0 347.444 1.232 10 0 EDAERN COc1c(C(=O)N(C)C[C@@H](O)COCc2ccccc2)c(C)nn1C ZINC000176561087 442234670 /nfs/dbraw/zinc/23/46/70/442234670.db2.gz JZIVWZHMBPIEBD-OAHLLOKOSA-N 0 0 347.415 1.387 10 0 EDAERN CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2COc3ccccc32)o1 ZINC000176591310 442238315 /nfs/dbraw/zinc/23/83/15/442238315.db2.gz XPHCKXPMNCTHCG-LBPRGKRZSA-N 0 0 336.369 1.192 10 0 EDAERN CC(C)C(=O)N1CCC(NC(=O)NC[C@@H]2CCCC[C@H]2O)CC1 ZINC000153321171 442275408 /nfs/dbraw/zinc/27/54/08/442275408.db2.gz GIHLSFIMINYTRL-DZGCQCFKSA-N 0 0 325.453 1.484 10 0 EDAERN CCc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000176989835 442281179 /nfs/dbraw/zinc/28/11/79/442281179.db2.gz ZROCSDJLQITJRS-RHSMWYFYSA-N 0 0 338.473 1.590 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(C)cc(F)c1)CC2 ZINC000153454182 442283718 /nfs/dbraw/zinc/28/37/18/442283718.db2.gz YYUNZUCOMQFFLN-LBPRGKRZSA-N 0 0 345.378 1.358 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)cc1F ZINC000177006774 442284156 /nfs/dbraw/zinc/28/41/56/442284156.db2.gz ZINGMGBGYNEWPU-LBPRGKRZSA-N 0 0 340.380 1.548 10 0 EDAERN CSCCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000153503813 442286044 /nfs/dbraw/zinc/28/60/44/442286044.db2.gz YJMIALSGKVKQTQ-AWEZNQCLSA-N 0 0 326.466 1.663 10 0 EDAERN COc1cccc(C2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)c1 ZINC000170924555 442290238 /nfs/dbraw/zinc/29/02/38/442290238.db2.gz GOVKCLUCGAIMHO-GOSISDBHSA-N 0 0 347.459 1.915 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCCCNC(C)=O)C12CCCC2 ZINC000153621985 442293025 /nfs/dbraw/zinc/29/30/25/442293025.db2.gz UOLLQJWUEGNKTO-HUUCEWRRSA-N 0 0 325.453 1.892 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000177066569 442293048 /nfs/dbraw/zinc/29/30/48/442293048.db2.gz BRTDLCVNJMEONU-CYBMUJFWSA-N 0 0 346.435 1.262 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000129056299 442300379 /nfs/dbraw/zinc/30/03/79/442300379.db2.gz GPQOHZOFMFIGGY-CQSZACIVSA-N 0 0 347.440 1.233 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000170758492 442258510 /nfs/dbraw/zinc/25/85/10/442258510.db2.gz DEQDSAYHYFKKKP-FUHWJXTLSA-N 0 0 347.459 1.337 10 0 EDAERN COc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1OC1CCCC1 ZINC000171255330 442334805 /nfs/dbraw/zinc/33/48/05/442334805.db2.gz VMDNLAXHUGHAIJ-ZDUSSCGKSA-N 0 0 332.400 1.769 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@H]1N1CCOCC1 ZINC000154577870 442346344 /nfs/dbraw/zinc/34/63/44/442346344.db2.gz DGWDBIPYAITYKZ-CZUORRHYSA-N 0 0 341.415 1.264 10 0 EDAERN COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171433660 442348032 /nfs/dbraw/zinc/34/80/32/442348032.db2.gz MSFZYLYFOAWVPH-AWEZNQCLSA-N 0 0 349.412 1.733 10 0 EDAERN CCn1ccnc1CS(=O)(=O)c1nncn1-c1ccccc1C ZINC000177511001 442351264 /nfs/dbraw/zinc/35/12/64/442351264.db2.gz WLXQWQCQJSVSFX-UHFFFAOYSA-N 0 0 331.401 1.766 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCc2cccc(C(N)=O)c2)cn1 ZINC000171470758 442351303 /nfs/dbraw/zinc/35/13/03/442351303.db2.gz ZBDNSGGCWPYKML-MRXNPFEDSA-N 0 0 341.415 1.608 10 0 EDAERN CSc1nc2nc(C)c(CC(=O)N[C@H]3CCCC[C@H]3O)c(C)n2n1 ZINC000153989725 442315259 /nfs/dbraw/zinc/31/52/59/442315259.db2.gz NUAMKGRDPVXLFB-QWHCGFSZSA-N 0 0 349.460 1.425 10 0 EDAERN CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000177635769 442365411 /nfs/dbraw/zinc/36/54/11/442365411.db2.gz FSKDHXKRYOLHHR-CQSZACIVSA-N 0 0 327.388 1.471 10 0 EDAERN CC(C)[C@H](C)NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000155024860 442371123 /nfs/dbraw/zinc/37/11/23/442371123.db2.gz JBNZAOXBZBZSMX-HNNXBMFYSA-N 0 0 347.463 1.464 10 0 EDAERN COc1c(C)cnc(CN(C)C(=O)NC[C@@H]2CN(C)CCO2)c1C ZINC000171705107 442372427 /nfs/dbraw/zinc/37/24/27/442372427.db2.gz ZBADWMJZLSASSY-CQSZACIVSA-N 0 0 336.436 1.179 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cn1 ZINC000171857909 442385365 /nfs/dbraw/zinc/38/53/65/442385365.db2.gz QAAMILTVJPAABG-UHFFFAOYSA-N 0 0 344.463 1.520 10 0 EDAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177803324 442386397 /nfs/dbraw/zinc/38/63/97/442386397.db2.gz GLSQBSNRSXXURK-NWDGAFQWSA-N 0 0 344.337 1.285 10 0 EDAERN COCCCOc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000171581206 442359030 /nfs/dbraw/zinc/35/90/30/442359030.db2.gz IVCRDIAGFXRNOD-HNNXBMFYSA-N 0 0 345.403 1.566 10 0 EDAERN CC(C)c1nc(C2(NS(=O)(=O)C[C@@H]3CCOC3)CCCC2)no1 ZINC000177611182 442362173 /nfs/dbraw/zinc/36/21/73/442362173.db2.gz CAIAITDERZWFIV-GFCCVEGCSA-N 0 0 343.449 1.918 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCc3ccsc3)CC2)cn1 ZINC000172132123 442412566 /nfs/dbraw/zinc/41/25/66/442412566.db2.gz YGVYPCOMOCPOOM-UHFFFAOYSA-N 0 0 333.461 1.899 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1nnc2n1CCCC2 ZINC000178197776 442414604 /nfs/dbraw/zinc/41/46/04/442414604.db2.gz DJRFOXCEWJTCGD-QWHCGFSZSA-N 0 0 343.435 1.988 10 0 EDAERN O=C(c1cccc(-n2ccnn2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000133494193 442421209 /nfs/dbraw/zinc/42/12/09/442421209.db2.gz NUIYWEYLFMANQB-INIZCTEOSA-N 0 0 338.371 1.005 10 0 EDAERN COCCN1CCN(C(=O)c2nc(SC)ncc2Cl)C[C@@H]1C ZINC000172227779 442426542 /nfs/dbraw/zinc/42/65/42/442426542.db2.gz ZSOPUDUEFJSIKB-JTQLQIEISA-N 0 0 344.868 1.645 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000172270465 442433456 /nfs/dbraw/zinc/43/34/56/442433456.db2.gz GZVMVHIPJQLKDP-AWEZNQCLSA-N 0 0 348.428 1.409 10 0 EDAERN CCOc1ccc(NC(=O)CNC(=O)NCCn2cc(C)cn2)cc1 ZINC000172281571 442434869 /nfs/dbraw/zinc/43/48/69/442434869.db2.gz FMRHQQNTRCRFBX-UHFFFAOYSA-N 0 0 345.403 1.528 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cnn(Cc2ccccc2)c1)C(C)C ZINC000178454871 442435337 /nfs/dbraw/zinc/43/53/37/442435337.db2.gz BZVFCBKYZQOWGC-MRXNPFEDSA-N 0 0 343.431 1.501 10 0 EDAERN O=C(NCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000178489147 442438374 /nfs/dbraw/zinc/43/83/74/442438374.db2.gz VFBLPFNNXUEJKD-LPHOPBHVSA-N 0 0 345.443 1.753 10 0 EDAERN Nc1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc(Cl)n1 ZINC000172320417 442443219 /nfs/dbraw/zinc/44/32/19/442443219.db2.gz VZXSKHMOSURMFI-LLVKDONJSA-N 0 0 332.795 1.506 10 0 EDAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000134022017 442446874 /nfs/dbraw/zinc/44/68/74/442446874.db2.gz DSKRNTRXMWMJNN-WDEREUQCSA-N 0 0 337.424 1.705 10 0 EDAERN CC(=O)N1C[C@@H](O)C[C@H]1c1nc(-c2ccc(Br)o2)no1 ZINC000191687378 442490043 /nfs/dbraw/zinc/49/00/43/442490043.db2.gz NKOXXKQIJMVOGR-YUMQZZPRSA-N 0 0 342.149 1.746 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C(C)C ZINC000178849126 442502189 /nfs/dbraw/zinc/50/21/89/442502189.db2.gz HNEOMGICFTXZNY-DOTOQJQBSA-N 0 0 345.443 1.107 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)cn1 ZINC000191742943 442503896 /nfs/dbraw/zinc/50/38/96/442503896.db2.gz HGXAGKLBFMOUIP-KRWDZBQOSA-N 0 0 345.447 1.786 10 0 EDAERN COc1ccc(C)cc1-n1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)n1 ZINC000191759269 442506246 /nfs/dbraw/zinc/50/62/46/442506246.db2.gz NFUOUSLNOBSDCJ-ZDUSSCGKSA-N 0 0 342.399 1.540 10 0 EDAERN C[C@@H](NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@@H]1CCCO1 ZINC000186152886 442473657 /nfs/dbraw/zinc/47/36/57/442473657.db2.gz WNMVAAYBLNBPBL-DOMZBBRYSA-N 0 0 333.436 1.686 10 0 EDAERN O=C(NC[C@@H]1CCCO1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172505383 442476291 /nfs/dbraw/zinc/47/62/91/442476291.db2.gz LCQOVONHEKARDQ-ZDUSSCGKSA-N 0 0 330.388 1.838 10 0 EDAERN Cc1cc(F)ccc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186186659 442480771 /nfs/dbraw/zinc/48/07/71/442480771.db2.gz HPPMNIHJWZGWFW-UHFFFAOYSA-N 0 0 326.393 1.423 10 0 EDAERN COC(=O)C1CCC(C(=O)NCCNC(=O)c2ccc(C)cc2)CC1 ZINC000180205463 442558272 /nfs/dbraw/zinc/55/82/72/442558272.db2.gz OXPAYLCCJZIZHE-UHFFFAOYSA-N 0 0 346.427 1.820 10 0 EDAERN O=C(c1cc(-c2cccnc2)on1)N1CC[C@H](N2CCOCC2)C1 ZINC000172753557 442535149 /nfs/dbraw/zinc/53/51/49/442535149.db2.gz OBCFRUCVMVMPPB-AWEZNQCLSA-N 0 0 328.372 1.283 10 0 EDAERN CCCOCC(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191906259 442537340 /nfs/dbraw/zinc/53/73/40/442537340.db2.gz FFIQWYJNFQGKKP-UHFFFAOYSA-N 0 0 328.453 1.678 10 0 EDAERN CCNC(=O)CCCC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186457427 442537773 /nfs/dbraw/zinc/53/77/73/442537773.db2.gz JLUMRGFRWCDLPI-KGLIPLIRSA-N 0 0 326.437 1.383 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000180096460 442540149 /nfs/dbraw/zinc/54/01/49/442540149.db2.gz NWJMTIIAXBXFHB-INIZCTEOSA-N 0 0 343.431 1.011 10 0 EDAERN CN(C(=O)CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000135055123 442550360 /nfs/dbraw/zinc/55/03/60/442550360.db2.gz JSFAHZRNFQLDAQ-KRWDZBQOSA-N 0 0 328.416 1.637 10 0 EDAERN Cc1ccnc(-n2nccc2NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000191978874 442552159 /nfs/dbraw/zinc/55/21/59/442552159.db2.gz IKPHDDNKFITXGA-OLZOCXBDSA-N 0 0 343.387 1.198 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H]3CSCCS3)CCO2)cn1 ZINC000191803447 442514393 /nfs/dbraw/zinc/51/43/93/442514393.db2.gz OZVZVPOGKDOGIK-CHWSQXEVSA-N 0 0 327.475 1.652 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccnc(OC3CCCCC3)c2)C1 ZINC000179882430 442515853 /nfs/dbraw/zinc/51/58/53/442515853.db2.gz NMJVHTYJQGFKJO-INIZCTEOSA-N 0 0 333.432 1.854 10 0 EDAERN C[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1nnc2n1CCCC2 ZINC000135245871 442572116 /nfs/dbraw/zinc/57/21/16/442572116.db2.gz MTIZGIJLQUZYCB-BGJPBQGDSA-N 0 0 332.429 1.843 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)CCc2cccs2)n1 ZINC000192028255 442573697 /nfs/dbraw/zinc/57/36/97/442573697.db2.gz QKFVNBCZTFNEIH-GFCCVEGCSA-N 0 0 343.430 1.385 10 0 EDAERN CC(=O)Nc1nc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cs1 ZINC000135273838 442574373 /nfs/dbraw/zinc/57/43/73/442574373.db2.gz VADROPJIZPGKRI-LLVKDONJSA-N 0 0 346.416 1.290 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000172973517 442575205 /nfs/dbraw/zinc/57/52/05/442575205.db2.gz MALMIKKLOZLARI-NSHDSACASA-N 0 0 338.385 1.262 10 0 EDAERN COc1ccc(COCCNC(=O)NCCn2cc(C)cn2)cc1 ZINC000180347880 442584371 /nfs/dbraw/zinc/58/43/71/442584371.db2.gz HKCUZPYCCOMBHH-UHFFFAOYSA-N 0 0 332.404 1.716 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1cc(C(N)=O)co1 ZINC000186669571 442587924 /nfs/dbraw/zinc/58/79/24/442587924.db2.gz KNWUIUVMUCWRKQ-SNVBAGLBSA-N 0 0 330.344 1.205 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2CCCC[C@@H]2CO)c1C ZINC000179224777 442600573 /nfs/dbraw/zinc/60/05/73/442600573.db2.gz KTCGXLXGZYORTR-CJNGLKHVSA-N 0 0 339.457 1.988 10 0 EDAERN C[C@](O)(CCNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000187025893 442646909 /nfs/dbraw/zinc/64/69/09/442646909.db2.gz OXCFLXHEWNHDDU-PBHICJAKSA-N 0 0 329.404 1.710 10 0 EDAERN CCS[C@H]1CCCC[C@@H]1NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187460775 442678018 /nfs/dbraw/zinc/67/80/18/442678018.db2.gz SNVBOJAFIYXHME-KBPBESRZSA-N 0 0 325.478 1.971 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000181197453 442684113 /nfs/dbraw/zinc/68/41/13/442684113.db2.gz HHSLJKHIHNNHCU-OAHLLOKOSA-N 0 0 345.403 1.657 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cnn(-c2ccccn2)c1C ZINC000187658393 442684914 /nfs/dbraw/zinc/68/49/14/442684914.db2.gz VSRKBVTZJFWAOA-QGZVFWFLSA-N 0 0 328.372 1.743 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000181217169 442685190 /nfs/dbraw/zinc/68/51/90/442685190.db2.gz FRVCIBWUHXMCDQ-CYBMUJFWSA-N 0 0 325.434 1.339 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181622716 442707257 /nfs/dbraw/zinc/70/72/57/442707257.db2.gz RRWAFOCBSCRGGU-GFCCVEGCSA-N 0 0 344.419 1.545 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000181435593 442697082 /nfs/dbraw/zinc/69/70/82/442697082.db2.gz DGRAZISWJPWVAQ-AWEZNQCLSA-N 0 0 337.420 1.398 10 0 EDAERN CCOCCN1CCN(C(=O)CC(C)(C)CC(=O)OC)C[C@H]1C ZINC000181457528 442698406 /nfs/dbraw/zinc/69/84/06/442698406.db2.gz KAXAZRNRZJLIFF-CQSZACIVSA-N 0 0 328.453 1.535 10 0 EDAERN CCCc1csc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000192958517 442701474 /nfs/dbraw/zinc/70/14/74/442701474.db2.gz BABRFVDUBUBLGQ-NSHDSACASA-N 0 0 347.444 1.784 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187194203 442659597 /nfs/dbraw/zinc/65/95/97/442659597.db2.gz IJMAYRWMPYABBU-NEPJUHHUSA-N 0 0 337.424 1.516 10 0 EDAERN C[C@@H](O)CNC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000192533179 442659587 /nfs/dbraw/zinc/65/95/87/442659587.db2.gz ALOXKUVMSILWIU-CPUCHLNUSA-N 0 0 336.432 1.992 10 0 EDAERN CN(C(=O)CCCNC(=O)C1CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000136370271 442661270 /nfs/dbraw/zinc/66/12/70/442661270.db2.gz ZYWMGOMKLXWNHP-HNNXBMFYSA-N 0 0 345.447 1.210 10 0 EDAERN COCCN1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000192575221 442664227 /nfs/dbraw/zinc/66/42/27/442664227.db2.gz ODOJXEGQKVSCOK-AWEZNQCLSA-N 0 0 344.452 1.252 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000181828399 442718255 /nfs/dbraw/zinc/71/82/55/442718255.db2.gz QLDLKWOSRKVZFE-UHFFFAOYSA-N 0 0 338.371 1.337 10 0 EDAERN Cc1ccc(-c2c[nH]cc2C(=O)NC[C@@H](O)CN2CCOCC2)s1 ZINC000188174740 442720807 /nfs/dbraw/zinc/72/08/07/442720807.db2.gz GCMFLDWOUPOJJN-CYBMUJFWSA-N 0 0 349.456 1.475 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccs1 ZINC000193188774 442721301 /nfs/dbraw/zinc/72/13/01/442721301.db2.gz NHJHMZHLQZOZEP-QWRGUYRKSA-N 0 0 331.463 1.532 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000188240388 442728188 /nfs/dbraw/zinc/72/81/88/442728188.db2.gz MSYUJJDIEHORMU-UHFFFAOYSA-N 0 0 341.191 1.642 10 0 EDAERN Cc1ccc(C[C@@H](CO)NC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000188252974 442729596 /nfs/dbraw/zinc/72/95/96/442729596.db2.gz GTUYCUMRJRUBRU-GJZGRUSLSA-N 0 0 329.404 1.324 10 0 EDAERN CC(C)c1n[nH]cc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193329218 442733970 /nfs/dbraw/zinc/73/39/70/442733970.db2.gz FENBUWLCLNBPTA-SNVBAGLBSA-N 0 0 336.417 1.672 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O ZINC000193376653 442737530 /nfs/dbraw/zinc/73/75/30/442737530.db2.gz JXIUTQFKVVAEOS-DOMZBBRYSA-N 0 0 326.418 1.693 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1N1CCCCC1 ZINC000188416379 442748339 /nfs/dbraw/zinc/74/83/39/442748339.db2.gz TXUGLPFXDRIVIF-RHSMWYFYSA-N 0 0 331.416 1.597 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCC(C)(C)CCO ZINC000188458058 442752392 /nfs/dbraw/zinc/75/23/92/442752392.db2.gz RWDNZIJPOCHCEC-NWDGAFQWSA-N 0 0 332.416 1.859 10 0 EDAERN CC(=O)Nc1cccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1C ZINC000188479105 442754707 /nfs/dbraw/zinc/75/47/07/442754707.db2.gz MBFFIWXBJNFBKF-HNNXBMFYSA-N 0 0 342.399 1.691 10 0 EDAERN CCC1=C(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)CCCO1 ZINC000188479564 442755172 /nfs/dbraw/zinc/75/51/72/442755172.db2.gz VTRKBXKBTHCRBL-CQSZACIVSA-N 0 0 346.431 1.815 10 0 EDAERN CCCc1csc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000193057183 442708846 /nfs/dbraw/zinc/70/88/46/442708846.db2.gz JCKRANQZPLEBDE-LBPRGKRZSA-N 0 0 348.432 1.489 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000188082316 442709398 /nfs/dbraw/zinc/70/93/98/442709398.db2.gz JOLRNEZCZIKUFC-UFBFGSQYSA-N 0 0 331.199 1.764 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2ccc(F)cc2Br)C1 ZINC000188097670 442711226 /nfs/dbraw/zinc/71/12/26/442711226.db2.gz DHPUPZNZRCUJIM-LBPRGKRZSA-N 0 0 345.212 1.578 10 0 EDAERN CC(C)c1csc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)n1 ZINC000193091037 442711905 /nfs/dbraw/zinc/71/19/05/442711905.db2.gz BIKFDWLRFSZZDW-GHMZBOCLSA-N 0 0 325.434 1.872 10 0 EDAERN CCc1ccccc1NC(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246522568 442788882 /nfs/dbraw/zinc/78/88/82/442788882.db2.gz RHGAJXHHKQGIJQ-YJBOKZPZSA-N 0 0 331.460 1.840 10 0 EDAERN CSc1ncc(Cl)c(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)n1 ZINC000246687370 442801954 /nfs/dbraw/zinc/80/19/54/442801954.db2.gz JDWYCZAEFODTGO-ZJUUUORDSA-N 0 0 344.868 1.379 10 0 EDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCO3)cn1 ZINC000182366237 442760955 /nfs/dbraw/zinc/76/09/55/442760955.db2.gz QDKDLMGWFRPQDO-CYBMUJFWSA-N 0 0 335.385 1.675 10 0 EDAERN CC[C@H]1CN(C(=O)CSCc2cccnc2)CCN1C[C@H](C)O ZINC000246711598 442806649 /nfs/dbraw/zinc/80/66/49/442806649.db2.gz CWFXPMSYSDRKLH-HOCLYGCPSA-N 0 0 337.489 1.618 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3ncsc3c2)C1 ZINC000193666707 442765670 /nfs/dbraw/zinc/76/56/70/442765670.db2.gz AFAIYUHYAPGJME-GFCCVEGCSA-N 0 0 346.412 1.362 10 0 EDAERN C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCS1 ZINC000182511974 442778807 /nfs/dbraw/zinc/77/88/07/442778807.db2.gz ANKDRJVBTNFIKE-OCCSQVGLSA-N 0 0 334.445 1.724 10 0 EDAERN CCOC(=O)[C@H](Cc1ccccc1)N(C)C[C@@H](O)CN1CCCC1=O ZINC000246390016 442778928 /nfs/dbraw/zinc/77/89/28/442778928.db2.gz OBSVVZBHYBVULQ-SJORKVTESA-N 0 0 348.443 1.076 10 0 EDAERN COCCCCS(=O)(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000193943602 442816395 /nfs/dbraw/zinc/81/63/95/442816395.db2.gz JYTWSQRUCVVLJQ-LBPRGKRZSA-N 0 0 334.463 1.581 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000188849843 442827389 /nfs/dbraw/zinc/82/73/89/442827389.db2.gz ALQCPCUMYUQUNJ-JTQLQIEISA-N 0 0 330.306 1.821 10 0 EDAERN Cc1cc(C)n(Cc2cccc(C(=O)N3CCCNC(=O)[C@@H]3C)c2)n1 ZINC000188859643 442829858 /nfs/dbraw/zinc/82/98/58/442829858.db2.gz GPUVQADNKKAJMF-HNNXBMFYSA-N 0 0 340.427 1.899 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000188929760 442843988 /nfs/dbraw/zinc/84/39/88/442843988.db2.gz PFTHMUMBEVFROH-LBPRGKRZSA-N 0 0 332.400 1.993 10 0 EDAERN COc1n[nH]c(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000182996972 442861452 /nfs/dbraw/zinc/86/14/52/442861452.db2.gz RGTQPDGVRDABHS-AAEUAGOBSA-N 0 0 329.360 1.362 10 0 EDAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2nc[nH]n2)CCC1 ZINC000194284059 442871597 /nfs/dbraw/zinc/87/15/97/442871597.db2.gz WXFHHPOEHPAHPB-LLVKDONJSA-N 0 0 337.424 1.994 10 0 EDAERN CCOc1ccc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cn1 ZINC000189079158 442873399 /nfs/dbraw/zinc/87/33/99/442873399.db2.gz ZJZNOJXKDJADPK-QWHCGFSZSA-N 0 0 332.360 1.774 10 0 EDAERN Cc1csc([C@@H]2CN(C(=O)NCc3cnn(C)c3C)CCO2)n1 ZINC000194340797 442879750 /nfs/dbraw/zinc/87/97/50/442879750.db2.gz YUMXNPPBMKENJP-ZDUSSCGKSA-N 0 0 335.433 1.777 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)CC1 ZINC000189258387 442907304 /nfs/dbraw/zinc/90/73/04/442907304.db2.gz HINDKWBSOKDXMV-CYBMUJFWSA-N 0 0 349.479 1.945 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000189322898 442921063 /nfs/dbraw/zinc/92/10/63/442921063.db2.gz BGKWJUPDWPYAOH-LLVKDONJSA-N 0 0 334.351 1.498 10 0 EDAERN CC(C)c1nnc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1C ZINC000194643491 442929641 /nfs/dbraw/zinc/92/96/41/442929641.db2.gz VWFGHCIPSCOCBR-GOSISDBHSA-N 0 0 339.399 1.832 10 0 EDAERN O=C(Cc1csc(-c2cccnc2)n1)N1CC(NC(=O)C2CC2)C1 ZINC000189379034 442934442 /nfs/dbraw/zinc/93/44/42/442934442.db2.gz MHJLPRVSVJQNKQ-UHFFFAOYSA-N 0 0 342.424 1.485 10 0 EDAERN CC(=O)Nc1ccc(Cl)c(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189406949 442943813 /nfs/dbraw/zinc/94/38/13/442943813.db2.gz WAGKOCWJOLWDNE-UHFFFAOYSA-N 0 0 335.791 1.649 10 0 EDAERN O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CNC(=O)C1 ZINC000194802782 442955342 /nfs/dbraw/zinc/95/53/42/442955342.db2.gz OASZFVHOIIPIOE-LBPRGKRZSA-N 0 0 329.331 1.765 10 0 EDAERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1CC(NC(=O)C2CC2)C1 ZINC000189488088 318565360 /nfs/dbraw/zinc/56/53/60/318565360.db2.gz IJNBVGBPNXXSLX-UHFFFAOYSA-N 0 0 341.411 1.315 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CC(NC(=O)C3CC3)C2)cc1OC ZINC000189470718 442962033 /nfs/dbraw/zinc/96/20/33/442962033.db2.gz MPABUFACMBHVGY-XBXARRHUSA-N 0 0 330.384 1.454 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN1CCCCCC1=O ZINC000249298784 442964429 /nfs/dbraw/zinc/96/44/29/442964429.db2.gz CMEZXVGCLWBTFV-KFWWJZLASA-N 0 0 336.432 1.722 10 0 EDAERN O=C(NC1CN(C(=O)c2cnc(OCC3CC3)c(Cl)c2)C1)C1CC1 ZINC000189493510 442967130 /nfs/dbraw/zinc/96/71/30/442967130.db2.gz KACIKNNPLQWWRI-UHFFFAOYSA-N 0 0 349.818 1.874 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCCn1ccnc1 ZINC000189514069 442970729 /nfs/dbraw/zinc/97/07/29/442970729.db2.gz OWNMFEQKNCEQNF-QWHCGFSZSA-N 0 0 340.399 1.737 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)N(CC)CC2CC2)C[C@H]1C ZINC000183903112 442974589 /nfs/dbraw/zinc/97/45/89/442974589.db2.gz SQEFRONGZDLFHB-CQSZACIVSA-N 0 0 333.498 1.006 10 0 EDAERN COC[C@@H](C)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000184000531 442981445 /nfs/dbraw/zinc/98/14/45/442981445.db2.gz BCYRUBGUMJXXDG-GFCCVEGCSA-N 0 0 326.418 1.125 10 0 EDAERN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@@H]1CNC(=O)C1 ZINC000189758644 443005251 /nfs/dbraw/zinc/00/52/51/443005251.db2.gz APNNISRVOXKUNH-VIFPVBQESA-N 0 0 336.804 1.857 10 0 EDAERN C[C@@H]1CN(C(=O)NCCC[C@@H]2CCCCO2)C[C@@H]1N1CCOCC1 ZINC000184376304 443016388 /nfs/dbraw/zinc/01/63/88/443016388.db2.gz OWQIREUHVVFRFX-IKGGRYGDSA-N 0 0 339.480 1.698 10 0 EDAERN COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189915220 443027710 /nfs/dbraw/zinc/02/77/10/443027710.db2.gz GCLQJKPBNSGLEE-QWHCGFSZSA-N 0 0 330.388 1.201 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195520286 443028353 /nfs/dbraw/zinc/02/83/53/443028353.db2.gz BZOFBQJPKGZYME-CYBMUJFWSA-N 0 0 348.451 1.246 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CCC(=O)Nc1cccc(F)c1 ZINC000195519815 443028524 /nfs/dbraw/zinc/02/85/24/443028524.db2.gz WNOIAIZTJWYPQD-UHFFFAOYSA-N 0 0 339.392 1.986 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)CCCCOC)C1 ZINC000184494935 443028918 /nfs/dbraw/zinc/02/89/18/443028918.db2.gz QKWGKACLZDBMOM-ZDUSSCGKSA-N 0 0 330.454 1.234 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000184525297 443034525 /nfs/dbraw/zinc/03/45/25/443034525.db2.gz TXDDRIQHEPZKHS-CQSZACIVSA-N 0 0 346.431 1.045 10 0 EDAERN O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)C(=O)N1CCCC1 ZINC000252533092 443041984 /nfs/dbraw/zinc/04/19/84/443041984.db2.gz FVEZCZXLPURTAP-UXLLHSPISA-N 0 0 344.411 1.172 10 0 EDAERN COC(=O)[C@@H]1[C@@H](C(C)C)OCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000223677990 443092853 /nfs/dbraw/zinc/09/28/53/443092853.db2.gz BPJHDOLVRCBKOB-LSDHHAIUSA-N 0 0 341.429 1.582 10 0 EDAERN Cc1nc(C)c(C(=O)NCc2ccnc(N3CCOCC3)n2)s1 ZINC000224217808 443096501 /nfs/dbraw/zinc/09/65/01/443096501.db2.gz ODEAYYDHXZABFY-UHFFFAOYSA-N 0 0 333.417 1.317 10 0 EDAERN COc1cccc(CN2C[C@@H](CO)[C@H](NC(=O)c3ccccc3)C2)n1 ZINC000253394247 443052986 /nfs/dbraw/zinc/05/29/86/443052986.db2.gz AATWGJBLUPTRDO-DOTOQJQBSA-N 0 0 341.411 1.313 10 0 EDAERN Cn1ncc(N)c1N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000220368989 443065787 /nfs/dbraw/zinc/06/57/87/443065787.db2.gz YOORWAUCPKSGOK-ZYHUDNBSSA-N 0 0 327.404 1.834 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1 ZINC000184771618 443074421 /nfs/dbraw/zinc/07/44/21/443074421.db2.gz DCIGGKUTUDNRKN-NVXWUHKLSA-N 0 0 349.475 1.811 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2snnc2C)ncn1 ZINC000190543846 443132844 /nfs/dbraw/zinc/13/28/44/443132844.db2.gz QVOSVFIRYLDGAY-SNVBAGLBSA-N 0 0 333.421 1.077 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000190445976 443110287 /nfs/dbraw/zinc/11/02/87/443110287.db2.gz OEQWEMJXWJLILL-JTQLQIEISA-N 0 0 339.233 1.975 10 0 EDAERN COCCCNC(=O)N1CCCCCNC(=O)[C@@H]2CCCC[C@@H]21 ZINC000257180780 443118757 /nfs/dbraw/zinc/11/87/57/443118757.db2.gz LUIMJMGRJASJKF-CABCVRRESA-N 0 0 325.453 1.893 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000185230258 443165835 /nfs/dbraw/zinc/16/58/35/443165835.db2.gz KMXBHCUKCQMLNI-UHFFFAOYSA-N 0 0 334.420 1.103 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Sc2ccccc2Cl)C1 ZINC000185240152 443167448 /nfs/dbraw/zinc/16/74/48/443167448.db2.gz HDCRDSRURIIPLB-JTQLQIEISA-N 0 0 342.848 1.794 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000190742943 443174572 /nfs/dbraw/zinc/17/45/72/443174572.db2.gz OCAKNCCIJABWAM-GOSISDBHSA-N 0 0 332.400 1.587 10 0 EDAERN CCCCOCCNC(=O)CN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190813814 443188835 /nfs/dbraw/zinc/18/88/35/443188835.db2.gz YTNLAAUYAYGSHR-MRXNPFEDSA-N 0 0 338.452 1.209 10 0 EDAERN NC(=O)c1ccc(OC(F)(F)F)nc1I ZINC000238623999 443195970 /nfs/dbraw/zinc/19/59/70/443195970.db2.gz ODFMBBXYIBIEII-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2coc3c2ccc(C)c3C)C1 ZINC000185212703 443162033 /nfs/dbraw/zinc/16/20/33/443162033.db2.gz ICUCHINRYYRRPN-UHFFFAOYSA-N 0 0 330.384 1.566 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N(C)Cc2cnccn2)C12CCOCC2 ZINC000185665538 443235573 /nfs/dbraw/zinc/23/55/73/443235573.db2.gz MOIFLSXFKFGTHO-GJZGRUSLSA-N 0 0 334.420 1.592 10 0 EDAERN O=S(=O)(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000242100085 443210208 /nfs/dbraw/zinc/21/02/08/443210208.db2.gz WEGFOKPECDYXCG-IAGOWNOFSA-N 0 0 338.473 1.749 10 0 EDAERN CCC[C@H](CCc1ccccc1)NC(=O)N1CC(NC(=O)COC)C1 ZINC000185519628 443212614 /nfs/dbraw/zinc/21/26/14/443212614.db2.gz HWWVMGKYMQPUCW-MRXNPFEDSA-N 0 0 347.459 1.944 10 0 EDAERN O=C(Nc1ccon1)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000185870020 443272424 /nfs/dbraw/zinc/27/24/24/443272424.db2.gz GXLPLESSBDKBEY-UHFFFAOYSA-N 0 0 341.327 1.103 10 0 EDAERN C[C@H](O)c1nc2ccccc2n1Cc1nnnn1CC(F)(F)F ZINC000191450558 443296224 /nfs/dbraw/zinc/29/62/24/443296224.db2.gz BHYCPRVFKRRTBQ-QMMMGPOBSA-N 0 0 326.282 1.687 10 0 EDAERN CC(C)c1ccc(S(=O)(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)cc1 ZINC000284893399 443792596 /nfs/dbraw/zinc/79/25/96/443792596.db2.gz HEZXPUORXAJMCA-HNNXBMFYSA-N 0 0 336.417 1.210 10 0 EDAERN Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCCO3)C2)cn1 ZINC000328629875 444402847 /nfs/dbraw/zinc/40/28/47/444402847.db2.gz PGKZEYQQRYCRBI-GOEBONIOSA-N 0 0 340.445 1.742 10 0 EDAERN CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)C(=O)Nc1ccnn1C ZINC000328631555 444403154 /nfs/dbraw/zinc/40/31/54/444403154.db2.gz KQBNOEKAUJSWHB-RYUDHWBXSA-N 0 0 333.371 1.291 10 0 EDAERN Cc1nnc(CN(C)[C@H]2CN(Cc3cnc(C4CC4)s3)C[C@H]2O)o1 ZINC000328632517 444404540 /nfs/dbraw/zinc/40/45/40/444404540.db2.gz LJMWZCYKTXCZSH-UONOGXRCSA-N 0 0 349.460 1.389 10 0 EDAERN Cc1cc(CC(=O)N2CCC[C@H](Nc3ccc(N)nc3)CC2)[nH]n1 ZINC000328623292 444398428 /nfs/dbraw/zinc/39/84/28/444398428.db2.gz BWBXHGOJGPNRCD-ZDUSSCGKSA-N 0 0 328.420 1.731 10 0 EDAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1cccnc1OC1CCCC1 ZINC000373087968 446018965 /nfs/dbraw/zinc/01/89/65/446018965.db2.gz PSDZEOPUZJDISS-INIZCTEOSA-N 0 0 347.415 1.267 10 0 EDAERN Cc1cc2c(cc1S(=O)(=O)NC[C@@H]1CCn3ccnc3C1)OCO2 ZINC000373672988 446297542 /nfs/dbraw/zinc/29/75/42/446297542.db2.gz QBKSGINQZVDDJP-GFCCVEGCSA-N 0 0 349.412 1.461 10 0 EDAERN O=S(=O)(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ncc[n-]1 ZINC000383912883 447465252 /nfs/dbraw/zinc/46/52/52/447465252.db2.gz PNBRQYVMUVTRFO-ARFHVFGLSA-N 0 0 346.456 1.599 10 0 EDAERN COc1cc(I)c(S(N)(=O)=O)cc1F ZINC000575705631 447881199 /nfs/dbraw/zinc/88/11/99/447881199.db2.gz OVCDYNURMVIDIB-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN CC(C)CCc1noc(CN2CC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 ZINC000583618149 448446090 /nfs/dbraw/zinc/44/60/90/448446090.db2.gz GGGZCDQFJTXCFV-KRWDZBQOSA-N 0 0 348.451 1.924 10 0 EDAERN O[C@]1(c2cn[nH]n2)CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000583617958 448446753 /nfs/dbraw/zinc/44/67/53/448446753.db2.gz NKEYYVRHQZMAOM-QGZVFWFLSA-N 0 0 325.372 1.943 10 0 EDAERN CCn1c(CN2CCC[C@@](O)(c3cn[nH]n3)C2)nc2c1cccc2F ZINC000583618005 448447575 /nfs/dbraw/zinc/44/75/75/448447575.db2.gz TZIZZIWMPQZPBS-KRWDZBQOSA-N 0 0 344.394 1.797 10 0 EDAERN CC(C)(C)OC(=O)N1CCN(c2n[nH]c(CN3CCCC3)n2)CC1 ZINC000536957085 448548740 /nfs/dbraw/zinc/54/87/40/448548740.db2.gz DOWIVSDJAVZAJT-UHFFFAOYSA-N 0 0 336.440 1.458 10 0 EDAERN Cc1ccc(Cc2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1 ZINC000584596461 448582707 /nfs/dbraw/zinc/58/27/07/448582707.db2.gz FLVXOJJEZOFFAW-UHFFFAOYSA-N 0 0 329.385 1.413 10 0 EDAERN CCOC(=O)[C@@H](O)/C(=C\c1ccccc1Br)[N+](=O)[O-] ZINC000584604575 448583764 /nfs/dbraw/zinc/58/37/64/448583764.db2.gz VRCVKVGTICSFGC-HUYFXPKMSA-N 0 0 330.134 1.991 10 0 EDAERN O[C@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000575231591 449064835 /nfs/dbraw/zinc/06/48/35/449064835.db2.gz LJLFYCLESOMKAW-KARBZBNUSA-N 0 0 340.416 1.611 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)NCC2=CCCOC2)[C@H]1c1cnn(C)c1C ZINC000614880420 449859837 /nfs/dbraw/zinc/85/98/37/449859837.db2.gz OHGIFMLRAGSPOU-YOEHRIQHSA-N 0 0 346.431 1.101 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)NCc2occc2C)[C@H]1c1ccnn1C ZINC000615186585 449994936 /nfs/dbraw/zinc/99/49/36/449994936.db2.gz UVUWCNCZZGODKW-GUYCJALGSA-N 0 0 344.415 1.938 10 0 EDAERN Cc1cc(C)n(CC(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)n1 ZINC000619294403 450448387 /nfs/dbraw/zinc/44/83/87/450448387.db2.gz WNRZDHIGQQHEEM-WMLDXEAASA-N 0 0 331.420 1.518 10 0 EDAERN CC(=O)Nc1ccccc1[C@@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616586905 450453882 /nfs/dbraw/zinc/45/38/82/450453882.db2.gz YJSDPALETSHWKY-INIZCTEOSA-N 0 0 346.412 1.822 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2ccccc2CO)C1 ZINC000616593300 450454434 /nfs/dbraw/zinc/45/44/34/450454434.db2.gz JEGKGUXJJXHKPO-INIZCTEOSA-N 0 0 347.436 1.984 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616636137 450456919 /nfs/dbraw/zinc/45/69/19/450456919.db2.gz RLRXXLBZNHSYOE-HNNXBMFYSA-N 0 0 349.431 1.856 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH]c2ncccc12 ZINC000619317963 450458329 /nfs/dbraw/zinc/45/83/29/450458329.db2.gz SYASTSAZENTZNX-BLLLJJGKSA-N 0 0 339.399 1.733 10 0 EDAERN Nc1ncccc1[C@@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616665930 450458396 /nfs/dbraw/zinc/45/83/96/450458396.db2.gz CZLICFGFEWBBBL-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc2c(c1)OCO2 ZINC000619319710 450459103 /nfs/dbraw/zinc/45/91/03/450459103.db2.gz OGPOLBPCLJTURG-SUMWQHHRSA-N 0 0 343.383 1.585 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)nn1[C@@H](C)C1CC1 ZINC000616774377 450481729 /nfs/dbraw/zinc/48/17/29/450481729.db2.gz PQLWWDFFDZEVOV-YOENINGUSA-N 0 0 329.404 1.463 10 0 EDAERN CO[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1c1c[nH]nn1 ZINC000621316848 450677258 /nfs/dbraw/zinc/67/72/58/450677258.db2.gz DIOLOSPHMYXTJW-GXTWGEPZSA-N 0 0 329.408 1.223 10 0 EDAERN COc1ncc(Cl)c(N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)n1 ZINC000624583415 450906893 /nfs/dbraw/zinc/90/68/93/450906893.db2.gz XGTLLQFHRZDQAP-GMSGAONNSA-N 0 0 325.756 1.796 10 0 EDAERN COc1nsc(CN[C@@H]2CCC(=O)N[C@@H]2C)c1Br ZINC000639137415 451775242 /nfs/dbraw/zinc/77/52/42/451775242.db2.gz YRQPZQCOYALGCB-RNFRBKRXSA-N 0 0 334.239 1.671 10 0 EDAERN CCCn1ncc(NC(=O)CN2CCCC[C@@H](O)C2=O)c1C1CC1 ZINC000644491703 451808304 /nfs/dbraw/zinc/80/83/04/451808304.db2.gz FEPFSXIJCXZFHL-CQSZACIVSA-N 0 0 334.420 1.482 10 0 EDAERN O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)N1CC[C@H](O)C1 ZINC000192227439 486741046 /nfs/dbraw/zinc/74/10/46/486741046.db2.gz MLWMLZKZGVWQLW-RRFJBIMHSA-N 0 0 342.361 1.890 10 0 EDAERN CC1(C)NC(=O)CC[C@@H]1NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000685510863 487289266 /nfs/dbraw/zinc/28/92/66/487289266.db2.gz CGXAMEIYJDVZQM-HNNXBMFYSA-N 0 0 336.457 1.378 10 0 EDAERN O[C@@]1(Cn2ccnn2)CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000671553400 486649749 /nfs/dbraw/zinc/64/97/49/486649749.db2.gz QKDNLNARJNMDIK-KRWDZBQOSA-N 0 0 342.378 1.240 10 0 EDAERN O=C(Cc1cccc(F)c1)N1CC[C@@H](n2c(=O)[nH]c3cncnc32)C1 ZINC000065256744 490997135 /nfs/dbraw/zinc/99/71/35/490997135.db2.gz CRCVSABJPRDEMK-CYBMUJFWSA-N 0 0 341.346 1.275 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@@H]1N1CCOCC1 ZINC000173826584 533873261 /nfs/dbraw/zinc/87/32/61/533873261.db2.gz HCKGZPCXTJNCQA-BBRMVZONSA-N 0 0 342.399 1.529 10 0 EDAERN CC(C)(C)OC(=O)CCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000192424850 534734237 /nfs/dbraw/zinc/73/42/37/534734237.db2.gz BRQMAWRZRJSLJN-ZDUSSCGKSA-N 0 0 334.420 1.684 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000188736373 534827250 /nfs/dbraw/zinc/82/72/50/534827250.db2.gz FZESNIKIJHZUPA-DGCLKSJQSA-N 0 0 337.445 1.722 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccsc2)C12CCOCC2 ZINC000187290622 527806733 /nfs/dbraw/zinc/80/67/33/527806733.db2.gz GHTXVAOENKJLQV-CHWSQXEVSA-N 0 0 338.429 1.777 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C12CCOCC2 ZINC000187064482 527827440 /nfs/dbraw/zinc/82/74/40/527827440.db2.gz AIEFFQWDPQTFEQ-HZPDHXFCSA-N 0 0 344.415 1.672 10 0 EDAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccnc2)C12CCOCC2 ZINC000185154912 527842274 /nfs/dbraw/zinc/84/22/74/527842274.db2.gz CIGJBDKIJZGVOL-ZIAGYGMSSA-N 0 0 326.418 1.334 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000184369576 527942515 /nfs/dbraw/zinc/94/25/15/527942515.db2.gz DTFOPHAGROJLRO-GFCCVEGCSA-N 0 0 330.392 1.642 10 0 EDAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000132222962 528135625 /nfs/dbraw/zinc/13/56/25/528135625.db2.gz VMLPFKARPYNPKF-GJZGRUSLSA-N 0 0 329.400 1.582 10 0 EDAERN CC(C)c1nc(C2(NC[C@H](O)CN3CCCC3=O)CCCC2)no1 ZINC000174242039 528266758 /nfs/dbraw/zinc/26/67/58/528266758.db2.gz NUABFVFBVDJXGL-ZDUSSCGKSA-N 0 0 336.436 1.535 10 0 EDAERN CCOC(=O)c1csc(CCNC(=O)[C@@H]2CCCO[C@@H]2C)n1 ZINC000190843055 528335725 /nfs/dbraw/zinc/33/57/25/528335725.db2.gz IZRBTJJGGNQYGF-GHMZBOCLSA-N 0 0 326.418 1.794 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000184230710 528474915 /nfs/dbraw/zinc/47/49/15/528474915.db2.gz KXUMMQGEWIFWHK-MRXNPFEDSA-N 0 0 347.459 1.859 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000184262669 528477160 /nfs/dbraw/zinc/47/71/60/528477160.db2.gz AFEKFUNSOYUISS-XJKSGUPXSA-N 0 0 348.447 1.855 10 0 EDAERN CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000185773402 528630329 /nfs/dbraw/zinc/63/03/29/528630329.db2.gz CAIJOTBYCWJGMV-RISCZKNCSA-N 0 0 327.388 1.989 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176103727 529156016 /nfs/dbraw/zinc/15/60/16/529156016.db2.gz OUCKTLAAMYQDOZ-CYBMUJFWSA-N 0 0 327.388 1.739 10 0 EDAERN CC[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1cccc(F)c1 ZINC000187485028 529342745 /nfs/dbraw/zinc/34/27/45/529342745.db2.gz UCMRJNJKLLFAKT-OAHLLOKOSA-N 0 0 349.406 1.903 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)c2ccccc2OC)CCN1C[C@@H](C)O ZINC000183961925 529359740 /nfs/dbraw/zinc/35/97/40/529359740.db2.gz YENQNFBLXMEVEO-ZIAGYGMSSA-N 0 0 334.416 1.182 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249527156 535058366 /nfs/dbraw/zinc/05/83/66/535058366.db2.gz YXTSPWNEKYQTFV-MJBXVCDLSA-N 0 0 339.461 1.510 10 0 EDAERN CCCN(C(=O)N[C@@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000180498633 535223908 /nfs/dbraw/zinc/22/39/08/535223908.db2.gz NDSZVRVHNMHKFF-GXTWGEPZSA-N 0 0 338.429 1.729 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000185046568 535233146 /nfs/dbraw/zinc/23/31/46/535233146.db2.gz CBTDFOXDFUISMA-HNNXBMFYSA-N 0 0 340.445 1.250 10 0 EDAERN CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3[C@@H](C)CCC[C@@H]3C)[nH]c(=O)c21 ZINC000040382797 535392494 /nfs/dbraw/zinc/39/24/94/535392494.db2.gz TXYFOMUBONMHNN-GARJFASQSA-N 0 0 347.419 1.099 10 0 EDAERN CC[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000247419975 535831576 /nfs/dbraw/zinc/83/15/76/535831576.db2.gz KHQYAKRAGWBFSJ-YUTCNCBUSA-N 0 0 335.452 1.958 10 0 EDAERN CCn1cc(C2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000195499764 536035693 /nfs/dbraw/zinc/03/56/93/536035693.db2.gz JAIRHWKRZYHNGV-HUUCEWRRSA-N 0 0 334.464 1.718 10 0 EDAERN CCn1cnnc1CNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000333282071 536133659 /nfs/dbraw/zinc/13/36/59/536133659.db2.gz JTNDHZMGZFWIML-UHFFFAOYSA-N 0 0 331.424 1.196 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(C)cc1OC)CC2 ZINC000151346818 536164242 /nfs/dbraw/zinc/16/42/42/536164242.db2.gz XFSJFLLGBFLBSC-CQSZACIVSA-N 0 0 343.431 1.972 10 0 EDAERN CN[C@@H](C(=O)N[C@H]1CCc2cn(C(C)C)nc2C1)c1cnn(C)c1 ZINC000262225929 536337532 /nfs/dbraw/zinc/33/75/32/536337532.db2.gz PQTKSLDRAPRLPZ-GOEBONIOSA-N 0 0 330.436 1.132 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000189145118 536367993 /nfs/dbraw/zinc/36/79/93/536367993.db2.gz SYICAPSCYYVBRO-HNNXBMFYSA-N 0 0 328.372 1.471 10 0 EDAERN CN[C@H](C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)c1cnn(C)c1 ZINC000262300671 536387870 /nfs/dbraw/zinc/38/78/70/536387870.db2.gz ZWZNYNRBGYRDAX-AWEZNQCLSA-N 0 0 325.376 1.413 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 ZINC000195257132 536763140 /nfs/dbraw/zinc/76/31/40/536763140.db2.gz ARWFWHQYAUKLSW-LLVKDONJSA-N 0 0 330.388 1.861 10 0 EDAERN COc1cccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1O ZINC000195255404 537086455 /nfs/dbraw/zinc/08/64/55/537086455.db2.gz JHLZVIXLNPQATB-LLVKDONJSA-N 0 0 330.388 1.861 10 0 EDAERN C[NH+](C)[C@@H]1CCCN(c2ncc(Br)c(C(=O)[O-])n2)C1 ZINC000757185166 579965486 /nfs/dbraw/zinc/96/54/86/579965486.db2.gz ANLCGXCMPAIOJX-MRVPVSSYSA-N 0 0 329.198 1.468 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@]2(CCO[C@@H]2CS(N)(=O)=O)C1 ZINC000757206565 579965717 /nfs/dbraw/zinc/96/57/17/579965717.db2.gz BBHNIIDAZAXLBO-RISCZKNCSA-N 0 0 334.438 1.081 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Cc2ccccc2CO)C12CCOCC2 ZINC000779838122 580499118 /nfs/dbraw/zinc/49/91/18/580499118.db2.gz SDTHFCNBSXYIRC-IAGOWNOFSA-N 0 0 333.428 1.812 10 0 EDAERN O=C(c1ccc(Br)o1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794064880 580870719 /nfs/dbraw/zinc/87/07/19/580870719.db2.gz CCVCDNADNVEEPP-LBPRGKRZSA-N 0 0 341.165 1.284 10 0 EDAERN Cc1cc(C(F)(F)F)ccc1C(=O)N1CCC[C@@](O)(CC(N)=O)C1 ZINC000888076873 590932905 /nfs/dbraw/zinc/93/29/05/590932905.db2.gz PYXFWFFXVQURAR-OAHLLOKOSA-N 0 0 344.333 1.856 10 0 EDAERN Cc1nc2c(cccc2C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)o1 ZINC000888095578 591025832 /nfs/dbraw/zinc/02/58/32/591025832.db2.gz RQFUZZJBEUEBFN-AHIWAGSCSA-N 0 0 343.383 1.692 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)c2ccco2)C1 ZINC000888102787 591031010 /nfs/dbraw/zinc/03/10/10/591031010.db2.gz MFGXACWOKHDZBP-NEPJUHHUSA-N 0 0 325.390 1.770 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)c2cccnc2)C1 ZINC000888102853 591031579 /nfs/dbraw/zinc/03/15/79/591031579.db2.gz QUZFMGUCXLCZAU-OCCSQVGLSA-N 0 0 336.417 1.572 10 0 EDAERN CCc1nnc2n1CCN(C(=O)c1noc(-c3ccc(F)cc3)n1)C2 ZINC000896201274 591381887 /nfs/dbraw/zinc/38/18/87/591381887.db2.gz WBFKRYBSPGMGLN-UHFFFAOYSA-N 0 0 342.334 1.686 10 0 EDAERN CCCC[C@H]1NC(=O)N(CN2CCC[C@H](NC(=O)CCC)C2)C1=O ZINC000101538712 595166329 /nfs/dbraw/zinc/16/63/29/595166329.db2.gz YVHDMVRFEQOHHY-UONOGXRCSA-N 0 0 338.452 1.435 10 0 EDAERN CCCCCCNC(=O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893343 595494897 /nfs/dbraw/zinc/49/48/97/595494897.db2.gz CRIKLNBKDLYLKR-QGZVFWFLSA-N 0 0 336.480 1.897 10 0 EDAERN C[C@@H](C(=O)N(C)c1ccc(Cl)nn1)N1C(=O)c2ccccc2C1=O ZINC000118614600 596139890 /nfs/dbraw/zinc/13/98/90/596139890.db2.gz WVHHLXYLGRXPLC-VIFPVBQESA-N 0 0 344.758 1.778 10 0 EDAERN Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)C4=C(C)CCC4)C3)C2)n1 ZINC000864679810 596305713 /nfs/dbraw/zinc/30/57/13/596305713.db2.gz AOWWMZKCWFTIPO-GFCCVEGCSA-N 0 0 330.388 1.405 10 0 EDAERN Cc1ccncc1CC(=O)N1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864833720 596376266 /nfs/dbraw/zinc/37/62/66/596376266.db2.gz ORQUHKRSARRWLH-ZDUSSCGKSA-N 0 0 341.415 1.510 10 0 EDAERN COCCN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C[C@@H]1C ZINC000119151997 596440502 /nfs/dbraw/zinc/44/05/02/596440502.db2.gz XFXFYPPZUUGJBA-ZDUSSCGKSA-N 0 0 347.394 1.199 10 0 EDAERN Cc1cc([C@@H](C)NC(=O)C[C@H]2CS(=O)(=O)CCN2)c(C)s1 ZINC000126516000 597511202 /nfs/dbraw/zinc/51/12/02/597511202.db2.gz RMQDUZSXKXLITG-PWSUYJOCSA-N 0 0 330.475 1.319 10 0 EDAERN C[C@]1(CNC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCCO1 ZINC000133077715 597929716 /nfs/dbraw/zinc/92/97/16/597929716.db2.gz GIQVBKPHTWXIBB-PKOBYXMFSA-N 0 0 347.459 1.616 10 0 EDAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000175228245 697701706 /nfs/dbraw/zinc/70/17/06/697701706.db2.gz OBWUEAIERUPYHF-TUPIDYKKSA-N 0 0 326.393 1.727 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ncccc1C ZINC000180265120 698707578 /nfs/dbraw/zinc/70/75/78/698707578.db2.gz BVSWRHQBDFBXID-CQSZACIVSA-N 0 0 326.418 1.637 10 0 EDAERN CCc1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc(=O)[nH]1 ZINC000181219510 699270218 /nfs/dbraw/zinc/27/02/18/699270218.db2.gz KXEUWUZGCBHSLR-AWEZNQCLSA-N 0 0 346.408 1.586 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccnn2C)C12CCOCC2 ZINC000185944272 700475342 /nfs/dbraw/zinc/47/53/42/700475342.db2.gz PNYYSBPLJFXNSA-HUUCEWRRSA-N 0 0 336.436 1.236 10 0 EDAERN C#CCCCCCOC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000185329772 702580887 /nfs/dbraw/zinc/58/08/87/702580887.db2.gz FAWIFPCKPTWVKC-ZDUSSCGKSA-N 0 0 348.424 1.850 10 0 EDAERN Cc1nc([C@@H]2CCCN2CN2C(=O)C(=O)N(C(C)C)C2=O)cs1 ZINC000186854501 707199389 /nfs/dbraw/zinc/19/93/89/707199389.db2.gz RPMFMEYDJBPWAQ-LBPRGKRZSA-N 0 0 336.417 1.745 10 0 EDAERN Cn1nc2c(cc1=O)CN(S(=O)(=O)/C=C/c1ccccc1)CC2 ZINC000173804389 231038665 /nfs/dbraw/zinc/03/86/65/231038665.db2.gz VYCWZQWRSBGYME-CSKARUKUSA-N 0 0 331.397 1.139 10 0 EDAERN CSc1ccc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173984140 231089650 /nfs/dbraw/zinc/08/96/50/231089650.db2.gz BFFUFIBOTHVMDP-OAHLLOKOSA-N 0 0 335.473 1.754 10 0 EDAERN O=S(=O)(N[C@H](CO)Cc1ccccc1)c1cnc(Cl)nc1 ZINC000063220168 214751392 /nfs/dbraw/zinc/75/13/92/214751392.db2.gz QZNLBCTXXUEPOX-NSHDSACASA-N 0 0 327.793 1.012 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C)n1 ZINC000193491833 282215740 /nfs/dbraw/zinc/21/57/40/282215740.db2.gz CCYZFBVJGJIIFF-OAHLLOKOSA-N 0 0 341.415 1.833 10 0 EDAERN CCc1nc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)sc1C ZINC000173987281 529743078 /nfs/dbraw/zinc/74/30/78/529743078.db2.gz GFDZEUQLHZPEIS-CYBMUJFWSA-N 0 0 338.477 1.359 10 0 EDAERN CC[C@@H](C)NC(=O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000062063538 214695145 /nfs/dbraw/zinc/69/51/45/214695145.db2.gz WXMLMUNNANGTHB-CYBMUJFWSA-N 0 0 341.452 1.761 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1CCc2cc3c(cc2C1)OCO3 ZINC000062075847 214696085 /nfs/dbraw/zinc/69/60/85/214696085.db2.gz JZMOHZWBNSMXRD-UHFFFAOYSA-N 0 0 336.369 1.767 10 0 EDAERN CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1ccccc1F)CC2 ZINC000174085369 529751465 /nfs/dbraw/zinc/75/14/65/529751465.db2.gz FWPAIDBZUAZCHP-BDJLRTHQSA-N 0 0 332.379 1.798 10 0 EDAERN CS(=O)(=O)c1cnn(-c2ccc(Br)cc2CO)c1 ZINC000725250588 539387415 /nfs/dbraw/zinc/38/74/15/539387415.db2.gz JLDAEZHTJCQRIA-UHFFFAOYSA-N 0 0 331.191 1.531 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccccc1-n1nc(C)nc1C)C(C)C ZINC000180242133 539484455 /nfs/dbraw/zinc/48/44/55/539484455.db2.gz AZGXFLQCTWFHCI-OAHLLOKOSA-N 0 0 344.419 1.776 10 0 EDAERN CC(C)CN(C(=O)C[S@@](=O)Cc1nnnn1C(C)C)C1CC1 ZINC000131383102 535008781 /nfs/dbraw/zinc/00/87/81/535008781.db2.gz MAETWZDHTIMRKN-JOCHJYFZSA-N 0 0 327.454 1.150 10 0 EDAERN CC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[C@H]1CCCO1 ZINC000245655245 539595370 /nfs/dbraw/zinc/59/53/70/539595370.db2.gz LBCCBPAYQVKXID-TUKIKUTGSA-N 0 0 330.384 1.745 10 0 EDAERN CCOC(=O)C1C(COC)=Nc2ncnn2[C@H]1c1ccccc1OC ZINC000017071825 201985284 /nfs/dbraw/zinc/98/52/84/201985284.db2.gz UURLOYYXBGEEJS-HNNXBMFYSA-N 0 0 344.371 1.765 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000159037831 540003347 /nfs/dbraw/zinc/00/33/47/540003347.db2.gz XAQQDUAFHFYFIE-CQSZACIVSA-N 0 0 328.372 1.762 10 0 EDAERN [NH3+][C@@H](CSCC(=O)Nc1ccccc1Br)C(=O)[O-] ZINC000019439828 202007556 /nfs/dbraw/zinc/00/75/56/202007556.db2.gz AIRVWBPFFHHRIN-QMMMGPOBSA-N 0 0 333.207 1.533 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)C[C@@H]1N1CCOCC1 ZINC000177883819 540106583 /nfs/dbraw/zinc/10/65/83/540106583.db2.gz GERIQMZIPQBEJP-BBRMVZONSA-N 0 0 333.436 1.478 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)C(C)C ZINC000179441910 540118228 /nfs/dbraw/zinc/11/82/28/540118228.db2.gz LSTYTMSTPJIYFO-NUEKZKHPSA-N 0 0 349.406 1.232 10 0 EDAERN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000182698277 540133972 /nfs/dbraw/zinc/13/39/72/540133972.db2.gz XROLOVSHDYPSFT-GJZGRUSLSA-N 0 0 343.493 1.985 10 0 EDAERN COc1ccccc1C[C@H]1CCCN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188804347 540160725 /nfs/dbraw/zinc/16/07/25/540160725.db2.gz DVGNJHXRVAAGHQ-BRWVUGGUSA-N 0 0 346.427 1.210 10 0 EDAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190146783 540169005 /nfs/dbraw/zinc/16/90/05/540169005.db2.gz RDEMHEIWSIBEOS-AWEZNQCLSA-N 0 0 340.387 1.769 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N[C@H]1CCC(=O)NC1=O ZINC000184252767 235347551 /nfs/dbraw/zinc/34/75/51/235347551.db2.gz OQJRJBGDCKAALY-WDEREUQCSA-N 0 0 343.305 1.264 10 0 EDAERN Cc1oc2ccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)cc2c1C ZINC000184310313 235362931 /nfs/dbraw/zinc/36/29/31/235362931.db2.gz LGBTXGSFXFJFQY-CQSZACIVSA-N 0 0 345.399 1.435 10 0 EDAERN COCCNC(=O)[C@@H](C)Nc1cccc(I)c1 ZINC000020315811 202038184 /nfs/dbraw/zinc/03/81/84/202038184.db2.gz VXDYIBUXHKYNAQ-SECBINFHSA-N 0 0 348.184 1.854 10 0 EDAERN COc1cc2c(C)cc(=O)oc2cc1OC[C@@H](O)CN1CCOCC1 ZINC000020344195 202039030 /nfs/dbraw/zinc/03/90/30/202039030.db2.gz IPAGIBYFMOFKBL-ZDUSSCGKSA-N 0 0 349.383 1.182 10 0 EDAERN CCC(=O)Nc1cc(CN2C(=O)[C@H]3CCCN3C2=O)ccc1OC ZINC000020529690 202047550 /nfs/dbraw/zinc/04/75/50/202047550.db2.gz RCCPGRVEAYGUKR-CYBMUJFWSA-N 0 0 331.372 1.970 10 0 EDAERN NC(=O)Cn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000020356544 202039728 /nfs/dbraw/zinc/03/97/28/202039728.db2.gz RFBYCPSVXIRHOH-UHFFFAOYSA-N 0 0 346.456 1.418 10 0 EDAERN CCCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCSC1=O ZINC000020613050 202050990 /nfs/dbraw/zinc/05/09/90/202050990.db2.gz MIYAFHZQRYLZMJ-NSHDSACASA-N 0 0 327.427 1.632 10 0 EDAERN CC(C)(C)NC(=O)COc1ccc(Cl)cc1CNn1cnnc1 ZINC000020877525 202057523 /nfs/dbraw/zinc/05/75/23/202057523.db2.gz ZVPJHRSSTYQLFT-UHFFFAOYSA-N 0 0 337.811 1.969 10 0 EDAERN COCCN1C(=O)c2ccc(C(=O)Nc3cc(C)ccn3)cc2C1=O ZINC000021001398 202060564 /nfs/dbraw/zinc/06/05/64/202060564.db2.gz HBCLQBDTQYKFME-UHFFFAOYSA-N 0 0 339.351 1.885 10 0 EDAERN C[C@@H](NCc1cc(F)ccc1Br)C(=O)N1CCOCC1 ZINC000038039303 202092428 /nfs/dbraw/zinc/09/24/28/202092428.db2.gz VLHITWIJVULRON-SNVBAGLBSA-N 0 0 345.212 1.925 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000081073979 138265529 /nfs/dbraw/zinc/26/55/29/138265529.db2.gz PFZGNSRKLOIHNT-NSHDSACASA-N 0 0 341.824 1.757 10 0 EDAERN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)cc1-n1cnnn1 ZINC000081606169 138267341 /nfs/dbraw/zinc/26/73/41/138267341.db2.gz UTIQBNTUHPYHFJ-GXTWGEPZSA-N 0 0 330.392 1.643 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)NC1CCCCC1 ZINC000088280729 138272373 /nfs/dbraw/zinc/27/23/73/138272373.db2.gz ZBMXORAAYVVWHF-CYBMUJFWSA-N 0 0 348.451 1.424 10 0 EDAERN Cc1ccc(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1O ZINC000089433333 138274133 /nfs/dbraw/zinc/27/41/33/138274133.db2.gz SOSUXYULUQJGPJ-LBPRGKRZSA-N 0 0 348.424 1.768 10 0 EDAERN O=C(CCC1CCCC1)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105855598 138302094 /nfs/dbraw/zinc/30/20/94/138302094.db2.gz QPMVJHJGICTTLJ-HNNXBMFYSA-N 0 0 333.436 1.528 10 0 EDAERN Cc1cccc(-n2cc(C(=O)N3CCC[C@H](n4cncn4)C3)nn2)c1 ZINC000105855450 138302194 /nfs/dbraw/zinc/30/21/94/138302194.db2.gz SFOHSJOATLKFPK-HNNXBMFYSA-N 0 0 337.387 1.645 10 0 EDAERN CN(C)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000110408020 138306930 /nfs/dbraw/zinc/30/69/30/138306930.db2.gz PIZWGKWKFXXBGF-ZDUSSCGKSA-N 0 0 334.420 1.887 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCOC1CCCC1)CC2 ZINC000114948876 138310953 /nfs/dbraw/zinc/31/09/53/138310953.db2.gz BVSAWOSKTBSWAM-ZDUSSCGKSA-N 0 0 335.452 1.804 10 0 EDAERN CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116114647 138311614 /nfs/dbraw/zinc/31/16/14/138311614.db2.gz LJFDVVDDDYKVTM-XGACYXMMSA-N 0 0 339.399 1.204 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3nc(C4CC4)cs3)CCO2)[nH]1 ZINC000123475522 138318890 /nfs/dbraw/zinc/31/88/90/138318890.db2.gz FFFHEJQJGSVPDK-LBPRGKRZSA-N 0 0 348.432 1.730 10 0 EDAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000124418452 138326431 /nfs/dbraw/zinc/32/64/31/138326431.db2.gz FQTVEPIMKQKXRO-MRVPVSSYSA-N 0 0 346.214 1.375 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CCC(c2cc[nH]n2)CC1 ZINC000125529972 138334795 /nfs/dbraw/zinc/33/47/95/138334795.db2.gz NZWJXAZNKYTWJS-UHFFFAOYSA-N 0 0 326.404 1.820 10 0 EDAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N[C@@H]1COc2ccccc21 ZINC000126317412 138338105 /nfs/dbraw/zinc/33/81/05/138338105.db2.gz XYGNGUTYLRJRPZ-OAHLLOKOSA-N 0 0 349.350 1.456 10 0 EDAERN CC[C@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCN1CC(F)F ZINC000129873597 138338971 /nfs/dbraw/zinc/33/89/71/138338971.db2.gz RJTDHDDGIKIOJV-NWDGAFQWSA-N 0 0 342.394 1.484 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000130456273 138341598 /nfs/dbraw/zinc/34/15/98/138341598.db2.gz ZGFGITSSZQHXSR-WMZOPIPTSA-N 0 0 331.460 1.882 10 0 EDAERN Cc1noc2ncc(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)cc12 ZINC000134020857 138401017 /nfs/dbraw/zinc/40/10/17/138401017.db2.gz HKCAXHOESFKMRS-LBPRGKRZSA-N 0 0 340.387 1.991 10 0 EDAERN CCS(=O)(=O)N1CC(CNC(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000187498679 236226903 /nfs/dbraw/zinc/22/69/03/236226903.db2.gz SOVAQAMIYLYXOU-GFCCVEGCSA-N 0 0 337.445 1.429 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187924742 236344142 /nfs/dbraw/zinc/34/41/42/236344142.db2.gz DECYXFJGFFVXIL-NHYWBVRUSA-N 0 0 341.411 1.839 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccoc3)C2=O)n(C)n1 ZINC000175893004 138701485 /nfs/dbraw/zinc/70/14/85/138701485.db2.gz ZMLFRWRMPQMEMK-CYBMUJFWSA-N 0 0 331.376 1.316 10 0 EDAERN O=C(NCc1nc(CN2C[C@H](O)C[C@@H]2CO)cs1)c1ccccc1 ZINC000179169718 138749747 /nfs/dbraw/zinc/74/97/47/138749747.db2.gz KXBAQXHYWYXRMP-HUUCEWRRSA-N 0 0 347.440 1.001 10 0 EDAERN Nc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)ccc1Br ZINC000069140329 202268642 /nfs/dbraw/zinc/26/86/42/202268642.db2.gz NWVNVEYBAQLHJS-SECBINFHSA-N 0 0 347.234 1.338 10 0 EDAERN Nc1ccc(-c2nnnn2[C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000069146022 202270103 /nfs/dbraw/zinc/27/01/03/202270103.db2.gz JGDYKJHGBSGMJN-SECBINFHSA-N 0 0 327.797 1.325 10 0 EDAERN COC(=O)[C@@H](N)Cc1cc(Br)c(Br)o1 ZINC000069554691 202288375 /nfs/dbraw/zinc/28/83/75/202288375.db2.gz TUTKHKSUVJEBIQ-LURJTMIESA-N 0 0 326.972 1.847 10 0 EDAERN C[C@@H](NC(=O)C[NH2+]CCC(=O)[O-])c1ccc(Br)cc1 ZINC000035386215 202301572 /nfs/dbraw/zinc/30/15/72/202301572.db2.gz KFZYXHQTUPBOPF-SECBINFHSA-N 0 0 329.194 1.691 10 0 EDAERN CCCN[C@H](CS(C)(=O)=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000070129074 202308793 /nfs/dbraw/zinc/30/87/93/202308793.db2.gz POLYZBPYKFMTQW-CYBMUJFWSA-N 0 0 330.837 1.920 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 ZINC000036106638 202315981 /nfs/dbraw/zinc/31/59/81/202315981.db2.gz XZCWIJKFGBDKEL-HNNXBMFYSA-N 0 0 334.416 1.699 10 0 EDAERN CN(C)S(=O)(=O)c1ccc(CCS(=O)(=O)NC(C)(C)C)cc1 ZINC000036176027 202317537 /nfs/dbraw/zinc/31/75/37/202317537.db2.gz NOXWUTXMMFHTIR-UHFFFAOYSA-N 0 0 348.490 1.197 10 0 EDAERN CS(=O)(=O)N1CCc2cc(NS(=O)(=O)C3CCCC3)ccc21 ZINC000036190180 202317556 /nfs/dbraw/zinc/31/75/56/202317556.db2.gz MUIQJVWGGGZATR-UHFFFAOYSA-N 0 0 344.458 1.693 10 0 EDAERN CCN(C(=O)c1ccc(N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000036139591 202318037 /nfs/dbraw/zinc/31/80/37/202318037.db2.gz RVMNOGVCOYRTBT-INIZCTEOSA-N 0 0 336.457 1.936 10 0 EDAERN CCOC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000036134429 202318162 /nfs/dbraw/zinc/31/81/62/202318162.db2.gz QOPLODFYPDALDO-LBPRGKRZSA-N 0 0 342.189 1.912 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)CCSc2cccc(N)c2)C[C@H](C)O1 ZINC000070215961 202319025 /nfs/dbraw/zinc/31/90/25/202319025.db2.gz DSDIITONNVYVPK-TXEJJXNPSA-N 0 0 330.475 1.800 10 0 EDAERN Nc1ccc(SCCS(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000070214723 202319293 /nfs/dbraw/zinc/31/92/93/202319293.db2.gz MYOFUOLMGIGJBE-KBPBESRZSA-N 0 0 330.475 1.584 10 0 EDAERN NC(=S)c1c(F)cccc1S(=O)(=O)NCC[C@@H]1CCCO1 ZINC000070395329 202332711 /nfs/dbraw/zinc/33/27/11/202332711.db2.gz SOBSAVKHSGFMME-VIFPVBQESA-N 0 0 332.422 1.307 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(N)=S)C[C@@H](C)S1 ZINC000070387532 202333175 /nfs/dbraw/zinc/33/31/75/202333175.db2.gz KAVKOQHLOAPVHA-GHMZBOCLSA-N 0 0 344.527 1.976 10 0 EDAERN CC(C)S(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC000037657636 202349574 /nfs/dbraw/zinc/34/95/74/202349574.db2.gz QIZKICBTMGSIRL-UHFFFAOYSA-N 0 0 347.245 1.791 10 0 EDAERN C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000071208783 202339715 /nfs/dbraw/zinc/33/97/15/202339715.db2.gz KCLZOBVOYAZRRC-BXKDBHETSA-N 0 0 335.422 1.696 10 0 EDAERN O=S(=O)(N[C@@H]1CN2CCC1CC2)c1ccc(Br)cc1 ZINC000037382684 202340876 /nfs/dbraw/zinc/34/08/76/202340876.db2.gz QEJJKOVKYYMOLD-CYBMUJFWSA-N 0 0 345.262 1.822 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(C(N)=S)c1)[C@H]1CCCO1 ZINC000071246359 202342554 /nfs/dbraw/zinc/34/25/54/202342554.db2.gz RSVKWXAQEWINHG-PRHODGIISA-N 0 0 332.422 1.306 10 0 EDAERN CCCn1cc(Br)cc1C(=O)NCc1nncn1C ZINC000038008176 202385247 /nfs/dbraw/zinc/38/52/47/202385247.db2.gz NMYWWTRQYIRTBA-UHFFFAOYSA-N 0 0 326.198 1.719 10 0 EDAERN O=C([C@H]1CCCO1)N1CCc2c(c(CO)nn2Cc2ccccc2)C1 ZINC000075874441 202378881 /nfs/dbraw/zinc/37/88/81/202378881.db2.gz LOLPAUCHYZVDGP-GOSISDBHSA-N 0 0 341.411 1.487 10 0 EDAERN CCCN(CC(=O)N(C)C)S(=O)(=O)c1cnc(Cl)s1 ZINC000038110580 202394540 /nfs/dbraw/zinc/39/45/40/202394540.db2.gz KTYLDGJXVBZPBA-UHFFFAOYSA-N 0 0 325.843 1.285 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120904476 291208478 /nfs/dbraw/zinc/20/84/78/291208478.db2.gz JRDBXGJIBDGCTC-CKEIUWERSA-N 0 0 326.437 1.911 10 0 EDAERN COCCCNC(=O)Cn1c(CCCNC(C)=O)nc2ccccc21 ZINC000040299852 202434431 /nfs/dbraw/zinc/43/44/31/202434431.db2.gz VWQPAMQWWWSZLP-UHFFFAOYSA-N 0 0 346.431 1.258 10 0 EDAERN COC[C@@H](C)N(C)S(=O)(=O)c1ccc(N)cc1Br ZINC000040330649 202435400 /nfs/dbraw/zinc/43/54/00/202435400.db2.gz MSRORBJXTKZMBR-MRVPVSSYSA-N 0 0 337.239 1.687 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCS(=O)(=O)c2ccccc2C1 ZINC000186509508 138817275 /nfs/dbraw/zinc/81/72/75/138817275.db2.gz JNSYCFZKGAJFJE-CQSZACIVSA-N 0 0 327.446 1.452 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)CC2 ZINC000114875054 201071560 /nfs/dbraw/zinc/07/15/60/201071560.db2.gz YRGKIXKHZUMYJF-VNDWYCCKSA-N 0 0 332.429 1.746 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1 ZINC000117987308 201077656 /nfs/dbraw/zinc/07/76/56/201077656.db2.gz ZIEYPERDIMUJNG-HNNXBMFYSA-N 0 0 342.399 1.318 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000057663972 201140697 /nfs/dbraw/zinc/14/06/97/201140697.db2.gz WWGSYVHMGQXGJX-LLVKDONJSA-N 0 0 326.418 1.330 10 0 EDAERN CC(C)n1c(COc2ccc(Cl)cc2)nnc1S(N)(=O)=O ZINC000158317182 201154544 /nfs/dbraw/zinc/15/45/44/201154544.db2.gz JZEWOGHDEUFADU-UHFFFAOYSA-N 0 0 330.797 1.739 10 0 EDAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)o1 ZINC000042626874 202499714 /nfs/dbraw/zinc/49/97/14/202499714.db2.gz BMMSOOOFJAQVRP-SNVBAGLBSA-N 0 0 348.380 1.853 10 0 EDAERN CCC(=O)OC1([C@H](C)c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O ZINC000003603824 201360614 /nfs/dbraw/zinc/36/06/14/201360614.db2.gz MJRCRPBSITUCBV-LLVKDONJSA-N 0 0 332.356 1.533 10 0 EDAERN O=S1(=O)CC[C@@H](c2noc([C@@H]3NCCc4sccc43)n2)C1 ZINC000149804361 201390020 /nfs/dbraw/zinc/39/00/20/201390020.db2.gz LQGQPJYITKGTBD-LDYMZIIASA-N 0 0 325.415 1.268 10 0 EDAERN Cc1ccc(S(=O)(=O)C2C[C@H](c3ccccc3)C(=O)NC2=O)cc1 ZINC000090660977 201373868 /nfs/dbraw/zinc/37/38/68/201373868.db2.gz LRBDGPNPVKCLHL-CVEARBPZSA-N 0 0 343.404 1.968 10 0 EDAERN C=Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[C@H]([NH2+]C)C3)nc21 ZINC000029331918 201387629 /nfs/dbraw/zinc/38/76/29/201387629.db2.gz PBCNONRKMYNEPD-VIFPVBQESA-N 0 0 332.335 1.132 10 0 EDAERN C[C@@H]1[C@H]([NH3+])CN1c1nc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 ZINC000028225861 201388216 /nfs/dbraw/zinc/38/82/16/201388216.db2.gz AUJKWLGOXRSXRX-JMCQJSRRSA-N 0 0 332.335 1.105 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)NC[C@H]2CCCCS2)cc1 ZINC000156436972 201399159 /nfs/dbraw/zinc/39/91/59/201399159.db2.gz HDEAAGBEPYPHDL-LLVKDONJSA-N 0 0 330.500 1.885 10 0 EDAERN CCCc1c(N)ncnc1N1CCSC[C@H]1S(=O)(=O)CC ZINC000157038234 201401303 /nfs/dbraw/zinc/40/13/03/201401303.db2.gz GUEODFHPSIHQGG-LLVKDONJSA-N 0 0 330.479 1.325 10 0 EDAERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)c1ccc(N)cc1Br ZINC000157942924 201404776 /nfs/dbraw/zinc/40/47/76/201404776.db2.gz JVZJMZRVGKBCDK-LDYMZIIASA-N 0 0 349.250 1.829 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(NC(C)=O)c1C)CC2 ZINC000188505442 138843353 /nfs/dbraw/zinc/84/33/53/138843353.db2.gz MWFLLGWCNRKMNE-ZDUSSCGKSA-N 0 0 341.415 1.852 10 0 EDAERN CCCS(=O)(=O)N1CCN(C(=O)c2ccc3ocnc3c2)CC1 ZINC000049719277 202626981 /nfs/dbraw/zinc/62/69/81/202626981.db2.gz OYSKIXXQWZYRKK-UHFFFAOYSA-N 0 0 337.401 1.325 10 0 EDAERN Cn1cc(COc2c(Cl)cc(S(N)(=O)=O)cc2Cl)cn1 ZINC000050540449 202633967 /nfs/dbraw/zinc/63/39/67/202633967.db2.gz YYEVVADAYUACMJ-UHFFFAOYSA-N 0 0 336.200 1.953 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCC1(CO)CCC1 ZINC000188773631 138851458 /nfs/dbraw/zinc/85/14/58/138851458.db2.gz IXUMSPCUFLMFMX-NWDGAFQWSA-N 0 0 330.400 1.613 10 0 EDAERN CC(C)CN(CC(N)=O)C(=O)c1cc(N)cc(Br)c1 ZINC000165607733 201421161 /nfs/dbraw/zinc/42/11/61/201421161.db2.gz QLPHHFPZDYPLEO-UHFFFAOYSA-N 0 0 328.210 1.615 10 0 EDAERN O=C(NC1CN(C(=O)NCCc2cc(F)ccc2F)C1)C1CCC1 ZINC000188882718 138854680 /nfs/dbraw/zinc/85/46/80/138854680.db2.gz FNKNOHPWOFULTB-UHFFFAOYSA-N 0 0 337.370 1.817 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)CC1(CO)CC1)C(C)C ZINC000189144112 138862443 /nfs/dbraw/zinc/86/24/43/138862443.db2.gz OIBIWLSXKXSENN-INIZCTEOSA-N 0 0 348.443 1.681 10 0 EDAERN Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H](C)C(C)C)CC2)no1 ZINC000022881710 212331453 /nfs/dbraw/zinc/33/14/53/212331453.db2.gz HMLANRFUMSCICR-ZDUSSCGKSA-N 0 0 337.424 1.293 10 0 EDAERN O=C(NCCn1ncccc1=O)c1csc(Nc2cccnc2)n1 ZINC000062163199 202794029 /nfs/dbraw/zinc/79/40/29/202794029.db2.gz WXUIUKNBUPXFPV-UHFFFAOYSA-N 0 0 342.384 1.268 10 0 EDAERN COCCCCNS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)CC2 ZINC000062316770 202794968 /nfs/dbraw/zinc/79/49/68/202794968.db2.gz BFWAYTPINYOVOI-UHFFFAOYSA-N 0 0 340.445 1.296 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)cc1F ZINC000190045077 138884369 /nfs/dbraw/zinc/88/43/69/138884369.db2.gz QAFDXENTQBKSLK-SNVBAGLBSA-N 0 0 335.379 1.815 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC(=O)N(CC)C1 ZINC000190562966 138893129 /nfs/dbraw/zinc/89/31/29/138893129.db2.gz ZBZMVXAVHGSGBO-CJNGLKHVSA-N 0 0 331.416 1.479 10 0 EDAERN COc1ccc(C(=O)N2C[C@H](C)OCC2(C)C)cc1S(C)(=O)=O ZINC000062371597 202798259 /nfs/dbraw/zinc/79/82/59/202798259.db2.gz YSKLDGBCZLZJLG-NSHDSACASA-N 0 0 341.429 1.738 10 0 EDAERN O=C(NCc1ccccc1F)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313506 202835397 /nfs/dbraw/zinc/83/53/97/202835397.db2.gz OEIOXSKBGZPPFB-ZDUSSCGKSA-N 0 0 330.363 1.442 10 0 EDAERN CCS(=O)(=O)N1CCC(n2cnc3cc(F)ccc3c2=O)CC1 ZINC000065034631 202823651 /nfs/dbraw/zinc/82/36/51/202823651.db2.gz ZPXLKCVYZXTJKV-UHFFFAOYSA-N 0 0 339.392 1.522 10 0 EDAERN Cc1cc(NC(=O)C2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)no1 ZINC000191612555 138919153 /nfs/dbraw/zinc/91/91/53/138919153.db2.gz ULOGBKDCOSSABA-GXTWGEPZSA-N 0 0 335.404 1.975 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@H]1c1nc(-c2ccc(Br)o2)no1 ZINC000191687361 138921065 /nfs/dbraw/zinc/92/10/65/138921065.db2.gz NKOXXKQIJMVOGR-SFYZADRCSA-N 0 0 342.149 1.746 10 0 EDAERN C[C@H](CC1CC1)NS(=O)(=O)c1cc(Br)cnc1N ZINC000070109025 203072318 /nfs/dbraw/zinc/07/23/18/203072318.db2.gz DQTPYFYLWCDOAR-SSDOTTSWSA-N 0 0 334.239 1.893 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CNC(=O)CC(C)(C)C)CCO2)cn1 ZINC000191717549 138921989 /nfs/dbraw/zinc/92/19/89/138921989.db2.gz NXCIXANTQXMDQR-AWEZNQCLSA-N 0 0 336.436 1.355 10 0 EDAERN C[C@H]1C[C@@H](NC(=O)C2CN(S(=O)(=O)C3CC3)C2)CC(C)(C)C1 ZINC000070818270 203081845 /nfs/dbraw/zinc/08/18/45/203081845.db2.gz OMMCGBXZAOJPCS-WCQYABFASA-N 0 0 328.478 1.741 10 0 EDAERN COc1ccc(OC)c(NC(=O)C2CN(C(=O)c3cc(C)on3)C2)c1 ZINC000070811125 203082093 /nfs/dbraw/zinc/08/20/93/203082093.db2.gz IKADQBDZZMGNEH-UHFFFAOYSA-N 0 0 345.355 1.711 10 0 EDAERN Nc1ccc(S(=O)(=O)NCc2cc[nH]n2)cc1Br ZINC000071384609 203093622 /nfs/dbraw/zinc/09/36/22/203093622.db2.gz PEFYUIDNRYJBCH-UHFFFAOYSA-N 0 0 331.195 1.233 10 0 EDAERN CCc1nc2ccc(Br)cn2c1C(=O)NCCCO ZINC000071470285 203098063 /nfs/dbraw/zinc/09/80/63/203098063.db2.gz UMQINVTUMMWRJK-UHFFFAOYSA-N 0 0 326.194 1.771 10 0 EDAERN CCCC(=O)N(CCC(=O)OC)C1CCN(C(=O)OCC)CC1 ZINC000071602997 203100286 /nfs/dbraw/zinc/10/02/86/203100286.db2.gz UFHYETOHAFTTBV-UHFFFAOYSA-N 0 0 328.409 1.799 10 0 EDAERN COc1cccn2cc(CCNS(=O)(=O)c3ccccc3)nc12 ZINC000071556868 203100311 /nfs/dbraw/zinc/10/03/11/203100311.db2.gz NCVZMBSRMHOJQS-UHFFFAOYSA-N 0 0 331.397 1.864 10 0 EDAERN CCCOc1c[nH]c(Cn2c(=O)[nH]c3sc(C)cc3c2=O)cc1=O ZINC000071566582 203100383 /nfs/dbraw/zinc/10/03/83/203100383.db2.gz CXEIPQMONPYQAU-UHFFFAOYSA-N 0 0 347.396 1.585 10 0 EDAERN COC(=O)CCN(CCNC(C)=O)C(=O)c1ccc(Cl)cc1 ZINC000071624687 203101605 /nfs/dbraw/zinc/10/16/05/203101605.db2.gz OFUUGHAQCRPJEJ-UHFFFAOYSA-N 0 0 326.780 1.481 10 0 EDAERN Cc1nc2ncnn2c2ccn(-c3ccc4c(c3)OCCO4)c(=O)c12 ZINC000072449381 203227019 /nfs/dbraw/zinc/22/70/19/203227019.db2.gz BDTIAOPLNHGQEM-UHFFFAOYSA-N 0 0 335.323 1.508 10 0 EDAERN COCc1nc2nnc(-c3ccnc(N4CCCC4)n3)c(C)n2n1 ZINC000072452542 203227444 /nfs/dbraw/zinc/22/74/44/203227444.db2.gz QTKXQRWDJYBRMV-UHFFFAOYSA-N 0 0 326.364 1.031 10 0 EDAERN COC(=O)Cc1nn(C)c2c1nnc1nc(SCCC(C)C)nn12 ZINC000072462367 203227837 /nfs/dbraw/zinc/22/78/37/203227837.db2.gz LYLFHYAEICDTFN-UHFFFAOYSA-N 0 0 349.420 1.260 10 0 EDAERN COC(=O)Cc1nn(-c2ccc(F)cc2)c2c1nnc1nc(C)nn12 ZINC000072461537 203227926 /nfs/dbraw/zinc/22/79/26/203227926.db2.gz ZORXMRCRTYGUBR-UHFFFAOYSA-N 0 0 341.306 1.021 10 0 EDAERN COCc1nc2ncc3c(ccn(Cc4cccc(F)c4)c3=O)n2n1 ZINC000072465747 203229988 /nfs/dbraw/zinc/22/99/88/203229988.db2.gz WDONPZSFZQDBMX-UHFFFAOYSA-N 0 0 339.330 1.773 10 0 EDAERN Cc1cc(N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)nc(N)[nH+]1 ZINC000072430560 203222998 /nfs/dbraw/zinc/22/29/98/203222998.db2.gz CWDOJKKFVSCIOW-UHFFFAOYSA-N 0 0 328.372 1.870 10 0 EDAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000192172178 138938705 /nfs/dbraw/zinc/93/87/05/138938705.db2.gz SENGVZJEQMTMHX-QMMMGPOBSA-N 0 0 347.198 1.924 10 0 EDAERN O=C([C@H]1COCCN1CC(F)(F)F)N1CC[C@@H](O)CC12CCC2 ZINC000333622848 296139864 /nfs/dbraw/zinc/13/98/64/296139864.db2.gz UPRHUVPKVYIDDB-VXGBXAGGSA-N 0 0 336.354 1.156 10 0 EDAERN CN1CCO[C@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000074773555 203293492 /nfs/dbraw/zinc/29/34/92/203293492.db2.gz NUTSYMPZBWQPGB-LLVKDONJSA-N 0 0 349.250 1.058 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000077368503 203383200 /nfs/dbraw/zinc/38/32/00/203383200.db2.gz HGEYPWDHQIDBQT-GHMZBOCLSA-N 0 0 339.346 1.873 10 0 EDAERN CCc1ccccc1NC(=O)CNC(=O)CN1[C@@H](C)COC[C@@H]1C ZINC000077369531 203383641 /nfs/dbraw/zinc/38/36/41/203383641.db2.gz FCWKGNXRFBUUDR-KBPBESRZSA-N 0 0 333.432 1.413 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000080634604 203462991 /nfs/dbraw/zinc/46/29/91/203462991.db2.gz NQCXTDWKWMETDC-OCCSQVGLSA-N 0 0 348.428 1.420 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCn3nc(C)nc32)c1C ZINC000081583498 203485805 /nfs/dbraw/zinc/48/58/05/203485805.db2.gz PKRWEALJQYPGDV-LBPRGKRZSA-N 0 0 345.403 1.973 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C(N)=O)cc1 ZINC000088349368 203564093 /nfs/dbraw/zinc/56/40/93/203564093.db2.gz GOKKCMNYCBHERI-GFCCVEGCSA-N 0 0 328.376 1.596 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000089929296 203603699 /nfs/dbraw/zinc/60/36/99/203603699.db2.gz BVORERJUVWCDSE-ZDUSSCGKSA-N 0 0 336.436 1.898 10 0 EDAERN CCOC(=O)[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1ccc(Cl)cc1 ZINC000194759378 139000124 /nfs/dbraw/zinc/00/01/24/139000124.db2.gz ZFUPCFPMWWXALI-CYBMUJFWSA-N 0 0 349.774 1.801 10 0 EDAERN CC(C)(C)OC(=O)[C@H](C(=O)[O-])[C@@H](O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000098088456 203983889 /nfs/dbraw/zinc/98/38/89/203983889.db2.gz WXDMUXIQGLWPEU-SNPRPXQTSA-N 0 0 348.399 1.441 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000101741111 204020561 /nfs/dbraw/zinc/02/05/61/204020561.db2.gz FOQYQBCLADHNST-CQSZACIVSA-N 0 0 332.404 1.698 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 ZINC000103378076 204077426 /nfs/dbraw/zinc/07/74/26/204077426.db2.gz XMDZZVNKEAWCHD-NEPJUHHUSA-N 0 0 331.376 1.699 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCc2ccc(Cl)cc2)C1 ZINC000104794283 204119717 /nfs/dbraw/zinc/11/97/17/204119717.db2.gz ZETSMRVSTXMVJE-OAHLLOKOSA-N 0 0 325.840 1.902 10 0 EDAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151855912 204120697 /nfs/dbraw/zinc/12/06/97/204120697.db2.gz IFOPQQYHIGPNQU-XIKOKIGWSA-N 0 0 327.384 1.690 10 0 EDAERN COC[C@H](O)CN(C)C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000042502946 204105146 /nfs/dbraw/zinc/10/51/46/204105146.db2.gz LJLWVXJZZWWWKV-CYBMUJFWSA-N 0 0 342.233 1.946 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)N2CCCN(c3cccnn3)CC2)on1 ZINC000105799379 204160340 /nfs/dbraw/zinc/16/03/40/204160340.db2.gz YNMBFLSTRKSOMD-ZDUSSCGKSA-N 0 0 330.392 1.312 10 0 EDAERN CN(c1cccnn1)C1CCN(CC(=O)NCc2cccs2)CC1 ZINC000105806244 204162191 /nfs/dbraw/zinc/16/21/91/204162191.db2.gz XNHVWCNXEOLNPB-UHFFFAOYSA-N 0 0 345.472 1.755 10 0 EDAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816198 204163766 /nfs/dbraw/zinc/16/37/66/204163766.db2.gz PKJUQVBYOMKQOU-ZDUSSCGKSA-N 0 0 347.463 1.455 10 0 EDAERN O=C(CCn1cccn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817221 204164999 /nfs/dbraw/zinc/16/49/99/204164999.db2.gz FFXOQRNWRHJQNF-KRWDZBQOSA-N 0 0 328.416 1.151 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2F)C[C@H]1C ZINC000105833022 204167641 /nfs/dbraw/zinc/16/76/41/204167641.db2.gz SOOKBCKYUWBVIY-OLZOCXBDSA-N 0 0 341.402 1.944 10 0 EDAERN O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194878511 139001806 /nfs/dbraw/zinc/00/18/06/139001806.db2.gz MCJKNZPKJMSQHY-ZDUSSCGKSA-N 0 0 349.818 1.151 10 0 EDAERN CCCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105279671 204141336 /nfs/dbraw/zinc/14/13/36/204141336.db2.gz GGOGXFIUAXPUFI-OAHLLOKOSA-N 0 0 334.420 1.279 10 0 EDAERN C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCS(=O)(=O)CC1 ZINC000043091988 204211671 /nfs/dbraw/zinc/21/16/71/204211671.db2.gz CJQLGXNIVGOCNB-GWCFXTLKSA-N 0 0 347.278 1.568 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105868172 204172406 /nfs/dbraw/zinc/17/24/06/204172406.db2.gz MTCKPCUQXJLNMQ-UHFFFAOYSA-N 0 0 347.463 1.600 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)NCc3ccccc3)CCO2)n1 ZINC000105893217 204176207 /nfs/dbraw/zinc/17/62/07/204176207.db2.gz NNRKGVIOBVMQBP-GOSISDBHSA-N 0 0 342.443 1.517 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105894143 204178379 /nfs/dbraw/zinc/17/83/79/204178379.db2.gz WJUJDCPHVQYKRM-ROUUACIJSA-N 0 0 336.476 1.514 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000106396726 204193017 /nfs/dbraw/zinc/19/30/17/204193017.db2.gz LSAJEQPZKGDCLD-SFHVURJKSA-N 0 0 342.443 1.330 10 0 EDAERN CCOc1cccc(N2CCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)n1 ZINC000106534517 204202103 /nfs/dbraw/zinc/20/21/03/204202103.db2.gz BLSBQOLHGJHJCB-HUUCEWRRSA-N 0 0 348.447 1.879 10 0 EDAERN O=S1(=O)CC[C@@H]([C@@H](O)c2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000043303740 204242279 /nfs/dbraw/zinc/24/22/79/204242279.db2.gz FJFSICLRBGPJHV-NOZJJQNGSA-N 0 0 332.805 1.969 10 0 EDAERN Cc1cnc(N2C[C@@H]3C[N@@H+]([C@H]4CCOC4)CCC[C@]3(C(=O)[O-])C2)nc1 ZINC000107769276 204247897 /nfs/dbraw/zinc/24/78/97/204247897.db2.gz BQOPYKSAOQBOEP-MPGHIAIKSA-N 0 0 346.431 1.177 10 0 EDAERN CCOC(=O)c1ccc(N2CCO[C@@H](Cn3cc(C)cn3)C2)nc1 ZINC000108950326 204274382 /nfs/dbraw/zinc/27/43/82/204274382.db2.gz SDXOHUYLPSTUPP-OAHLLOKOSA-N 0 0 330.388 1.669 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000195014015 139004617 /nfs/dbraw/zinc/00/46/17/139004617.db2.gz PVYHWBALGCMRLT-AWEZNQCLSA-N 0 0 332.381 1.458 10 0 EDAERN CC(C)CN1CCN(S(=O)(=O)c2c(N)cccc2Cl)CC1 ZINC000045166470 204315800 /nfs/dbraw/zinc/31/58/00/204315800.db2.gz OMHTUHHBHDGRJM-UHFFFAOYSA-N 0 0 331.869 1.885 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCOC3(CCCC3)C1)CC2 ZINC000152452187 204323707 /nfs/dbraw/zinc/32/37/07/204323707.db2.gz AKLWUNIQZUMZMS-KBPBESRZSA-N 0 0 347.463 1.946 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)CSc3ccncc3)CC2)n1 ZINC000110895623 204325822 /nfs/dbraw/zinc/32/58/22/204325822.db2.gz JAUHOROMPYHCFP-GFCCVEGCSA-N 0 0 347.444 1.771 10 0 EDAERN CC(C)(C)C(=O)NCCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110874189 204326313 /nfs/dbraw/zinc/32/63/13/204326313.db2.gz GIENYTVIJRTOEY-NSHDSACASA-N 0 0 325.434 1.595 10 0 EDAERN NC(=O)C1CCN(C(=O)c2cc(N)ccc2Br)CC1 ZINC000045622745 204328583 /nfs/dbraw/zinc/32/85/83/204328583.db2.gz QWAYAYWZILGNHT-UHFFFAOYSA-N 0 0 326.194 1.369 10 0 EDAERN CC(C)CN(CC(N)=O)C(=O)c1cc(N)ccc1Br ZINC000045624235 204328896 /nfs/dbraw/zinc/32/88/96/204328896.db2.gz KGHGRTPCZHMDHO-UHFFFAOYSA-N 0 0 328.210 1.615 10 0 EDAERN CCc1c(C(=O)N2CCO[C@@H](Cn3cccn3)C2)[nH]c(C)c1C(C)=O ZINC000111081212 204334543 /nfs/dbraw/zinc/33/45/43/204334543.db2.gz ZJWOKFGVTXAWJZ-CQSZACIVSA-N 0 0 344.415 1.826 10 0 EDAERN COc1ccc(OC)c(CN(CCO)Cc2nnc(C(C)C)n2C)c1 ZINC000111271048 204347629 /nfs/dbraw/zinc/34/76/29/204347629.db2.gz KKOZFMNYXGXWLF-UHFFFAOYSA-N 0 0 348.447 1.950 10 0 EDAERN CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(NN)nc1 ZINC000048879428 204355113 /nfs/dbraw/zinc/35/51/13/204355113.db2.gz XCQLSONDQSXXNB-UHFFFAOYSA-N 0 0 326.809 1.841 10 0 EDAERN COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(N)cc1C(F)(F)F ZINC000049063463 204366972 /nfs/dbraw/zinc/36/69/72/204366972.db2.gz PLSFDMNAWHLPOC-ZCFIWIBFSA-N 0 0 326.296 1.591 10 0 EDAERN CCOc1ccccc1CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111837370 204375554 /nfs/dbraw/zinc/37/55/54/204375554.db2.gz KLUMKFIIIBPPQN-MRXNPFEDSA-N 0 0 344.415 1.892 10 0 EDAERN NS(=O)(=O)c1ccc(OCCCOCC(F)(F)F)c(F)c1 ZINC000049312750 204379531 /nfs/dbraw/zinc/37/95/31/204379531.db2.gz AVENIKYCRWREQI-UHFFFAOYSA-N 0 0 331.287 1.821 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(-c4ccco4)on3)CCO2)c1 ZINC000112066944 204382037 /nfs/dbraw/zinc/38/20/37/204382037.db2.gz ZPOWKXDLLAESRD-ZDUSSCGKSA-N 0 0 342.355 1.981 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3)CCO2)c1 ZINC000112147985 204385912 /nfs/dbraw/zinc/38/59/12/204385912.db2.gz ZEHWFBLEHPCXAU-OAHLLOKOSA-N 0 0 346.362 1.197 10 0 EDAERN Cc1ncc(/C=C/C(=O)N2CCCN(c3cccnn3)CC2)s1 ZINC000112293586 204390428 /nfs/dbraw/zinc/39/04/28/204390428.db2.gz ZXVFIYBNJCBAQT-AATRIKPKSA-N 0 0 329.429 1.994 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CCOC[C@H]1CCCO1)CC2 ZINC000195279111 139012258 /nfs/dbraw/zinc/01/22/58/139012258.db2.gz OEWDWTIRKKPJCZ-UONOGXRCSA-N 0 0 336.436 1.418 10 0 EDAERN Cc1cc(NC(=O)CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)on1 ZINC000195285211 139012477 /nfs/dbraw/zinc/01/24/77/139012477.db2.gz HHRNVSQABBRRKD-INIZCTEOSA-N 0 0 343.431 1.770 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)CC2 ZINC000195405187 139015906 /nfs/dbraw/zinc/01/59/06/139015906.db2.gz AQSQVKWBZDQFFG-BBRMVZONSA-N 0 0 347.463 1.480 10 0 EDAERN COc1ccc(N2C[C@@H](C(=O)NCCn3cc(C)cn3)CC2=O)cc1 ZINC000117818766 204577756 /nfs/dbraw/zinc/57/77/56/204577756.db2.gz FPMDWMVWIHPJMZ-AWEZNQCLSA-N 0 0 342.399 1.369 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000195525596 139020143 /nfs/dbraw/zinc/02/01/43/139020143.db2.gz PCIGINDUQFMUTO-CQSZACIVSA-N 0 0 336.417 1.706 10 0 EDAERN Nc1cc(F)ccc1NC(=O)Cn1cc(Br)ccc1=O ZINC000019278868 212009673 /nfs/dbraw/zinc/00/96/73/212009673.db2.gz AIZGOCXUHILPDO-UHFFFAOYSA-N 0 0 340.152 1.971 10 0 EDAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000193576162 284301530 /nfs/dbraw/zinc/30/15/30/284301530.db2.gz HFQAXCVCFHPZOK-MEDUHNTESA-N 0 0 337.807 1.827 10 0 EDAERN O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H]1CO ZINC000120919486 204770505 /nfs/dbraw/zinc/77/05/05/204770505.db2.gz RCAOPAZOJBYVHD-VIFPVBQESA-N 0 0 327.178 1.371 10 0 EDAERN CCCC(CCC)(C(N)=S)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000050603053 204777645 /nfs/dbraw/zinc/77/76/45/204777645.db2.gz XVPXHWKDFMQSKN-LLVKDONJSA-N 0 0 334.507 1.410 10 0 EDAERN CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)C1CC1 ZINC000050651940 204839348 /nfs/dbraw/zinc/83/93/48/204839348.db2.gz VCKMFBAWKMGWAP-UHFFFAOYSA-N 0 0 332.447 1.305 10 0 EDAERN CCN(C)C(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000248892381 284323107 /nfs/dbraw/zinc/32/31/07/284323107.db2.gz JXUHBJKFMVTBMK-PJODQICGSA-N 0 0 349.406 1.328 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000123003998 204897273 /nfs/dbraw/zinc/89/72/73/204897273.db2.gz VQAMQFPVQQGEDE-BEFAXECRSA-N 0 0 344.411 1.981 10 0 EDAERN COC(=O)CSCCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124580747 204969137 /nfs/dbraw/zinc/96/91/37/204969137.db2.gz GFJHSJLIPZZFPE-UHFFFAOYSA-N 0 0 325.434 1.422 10 0 EDAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000125990501 205034509 /nfs/dbraw/zinc/03/45/09/205034509.db2.gz GFQYQEZRRMSZDL-ZDUSSCGKSA-N 0 0 330.388 1.533 10 0 EDAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126905943 205077539 /nfs/dbraw/zinc/07/75/39/205077539.db2.gz RBADEKNUGMLJOC-HSZRJFAPSA-N 0 0 340.493 1.852 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(C)ccc2Cl)C[C@H]1C ZINC000127549419 205106620 /nfs/dbraw/zinc/10/66/20/205106620.db2.gz ALPZCMKJGQVZHO-CYBMUJFWSA-N 0 0 346.880 1.990 10 0 EDAERN COCCN(C)S(=O)(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000127649036 205111295 /nfs/dbraw/zinc/11/12/95/205111295.db2.gz ZRBUHHXEOFVQBP-ZDUSSCGKSA-N 0 0 328.434 1.701 10 0 EDAERN CCCOc1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1 ZINC000128264869 205140461 /nfs/dbraw/zinc/14/04/61/205140461.db2.gz PPRKXBUKOUVYNP-UHFFFAOYSA-N 0 0 330.388 1.735 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cccnc2OCC(F)F)C[C@@H]1C ZINC000128620720 205155249 /nfs/dbraw/zinc/15/52/49/205155249.db2.gz BOLRGFHSAZEMOH-NWDGAFQWSA-N 0 0 343.374 1.253 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Nc3cccc(OC)c3)CCO2)[nH]1 ZINC000130022271 205219902 /nfs/dbraw/zinc/21/99/02/205219902.db2.gz CRZNSCOXWNBEBF-ZDUSSCGKSA-N 0 0 331.376 1.981 10 0 EDAERN CCCc1nc(COc2ccc(Cl)cc2S(N)(=O)=O)no1 ZINC000147266309 205365268 /nfs/dbraw/zinc/36/52/68/205365268.db2.gz QXUXQNYNBLCCME-UHFFFAOYSA-N 0 0 331.781 1.902 10 0 EDAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@@H](n2cncn2)C1 ZINC000135471111 205460306 /nfs/dbraw/zinc/46/03/06/205460306.db2.gz QSSSSKPQYUIWRM-OAHLLOKOSA-N 0 0 337.387 1.400 10 0 EDAERN Nc1cccc2c1CCCN2C(=O)CCn1nc2ccccn2c1=O ZINC000238045779 139067588 /nfs/dbraw/zinc/06/75/88/139067588.db2.gz GTXHURMQVPRXRG-UHFFFAOYSA-N 0 0 337.383 1.448 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000245472090 139076432 /nfs/dbraw/zinc/07/64/32/139076432.db2.gz YOUPRBCJABVGMB-RRFJBIMHSA-N 0 0 348.447 1.983 10 0 EDAERN O=C(COc1ccc2ccc(=O)oc2c1)NC[C@@H]1CCCC[C@@H]1O ZINC000155686064 206026800 /nfs/dbraw/zinc/02/68/00/206026800.db2.gz MTVRYBRSZKEPMJ-ZFWWWQNUSA-N 0 0 331.368 1.839 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(I)c[nH]1 ZINC000155691583 206027290 /nfs/dbraw/zinc/02/72/90/206027290.db2.gz PGHCAVILEGQZDY-KWQFWETISA-N 0 0 348.184 1.900 10 0 EDAERN COc1cc(CNC(=O)N2CCC(c3ccnn3C)CC2)ccn1 ZINC000155869818 206040034 /nfs/dbraw/zinc/04/00/34/206040034.db2.gz LDKGAINRGDNYEL-UHFFFAOYSA-N 0 0 329.404 1.913 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000155981538 206046405 /nfs/dbraw/zinc/04/64/05/206046405.db2.gz VEWWFMXDXCEYRX-MLGOLLRUSA-N 0 0 345.374 1.653 10 0 EDAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000155996468 206048743 /nfs/dbraw/zinc/04/87/43/206048743.db2.gz ZXHVREMMLQGFFM-CHWSQXEVSA-N 0 0 343.445 1.907 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[S@](C)=O ZINC000156150463 206057290 /nfs/dbraw/zinc/05/72/90/206057290.db2.gz MYHWANVHEJYUCB-ZKANADHPSA-N 0 0 340.264 1.494 10 0 EDAERN Cn1nccc1C1CCN(C(=O)NCc2cccc(C(N)=O)c2)CC1 ZINC000156408836 206074485 /nfs/dbraw/zinc/07/44/85/206074485.db2.gz PAOJIIQAVVVDML-UHFFFAOYSA-N 0 0 341.415 1.608 10 0 EDAERN CC(C)CNC(=O)CNc1ncc(I)cn1 ZINC000159048420 206222448 /nfs/dbraw/zinc/22/24/48/206222448.db2.gz YLXORJMLJOPONN-UHFFFAOYSA-N 0 0 334.161 1.265 10 0 EDAERN C[C@H](CO)NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246110531 139095441 /nfs/dbraw/zinc/09/54/41/139095441.db2.gz NBRRBHQRMVQIRV-CKEIUWERSA-N 0 0 336.432 1.992 10 0 EDAERN Cc1cc(C)cc(OC[C@H](O)C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000246199356 139099017 /nfs/dbraw/zinc/09/90/17/139099017.db2.gz WSRKDYWZNUEIBU-GGPKGHCWSA-N 0 0 348.487 1.696 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)c1ccc(F)c(F)c1 ZINC000246281882 139102348 /nfs/dbraw/zinc/10/23/48/139102348.db2.gz AYWLVSBTGYFXIE-FWDPORAESA-N 0 0 327.331 1.358 10 0 EDAERN CC(C)OCCNS(=O)(=O)c1ccc(N)cc1Br ZINC000159874346 206269105 /nfs/dbraw/zinc/26/91/05/206269105.db2.gz RBZIHLOCTXFPRH-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)Cc2cnn(C)c2)c2cccs2)CCO1 ZINC000246758556 139120531 /nfs/dbraw/zinc/12/05/31/139120531.db2.gz IDEPDQBKCGJTNX-DZGCQCFKSA-N 0 0 348.472 1.602 10 0 EDAERN O=C(NCC[S@](=O)Cc1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000246862050 139124670 /nfs/dbraw/zinc/12/46/70/139124670.db2.gz KSEIJZCHGIZSGN-XDHUDOTRSA-N 0 0 349.500 1.815 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)CC2CCCCC2)C[C@@H]1C ZINC000247002042 139130686 /nfs/dbraw/zinc/13/06/86/139130686.db2.gz BNDVCJYCXFJYEI-HOTGVXAUSA-N 0 0 325.497 1.412 10 0 EDAERN C[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(CO)ccc1Br ZINC000160745327 206310896 /nfs/dbraw/zinc/31/08/96/206310896.db2.gz WGWNOOVTRHSLIP-SCZZXKLOSA-N 0 0 334.235 1.876 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)NC2CCC2)c(Br)c1 ZINC000160942532 206319834 /nfs/dbraw/zinc/31/98/34/206319834.db2.gz UTBYONCLDIDCBC-UHFFFAOYSA-N 0 0 348.222 1.771 10 0 EDAERN CO[C@H](C)[C@H](C)Nc1ccc(S(N)(=O)=O)cc1Br ZINC000161230984 206335307 /nfs/dbraw/zinc/33/53/07/206335307.db2.gz KCJXPAOAJIKIIE-JGVFFNPUSA-N 0 0 337.239 1.932 10 0 EDAERN O=C1C[S@@](=O)c2cc(F)c(I)cc2N1 ZINC000162866978 206425566 /nfs/dbraw/zinc/42/55/66/206425566.db2.gz QAIXBUAQZKKLJH-AWEZNQCLSA-N 0 0 325.102 1.490 10 0 EDAERN O=C(Nc1ccc(F)nc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000163428465 206453297 /nfs/dbraw/zinc/45/32/97/206453297.db2.gz UBKICCZNPWSJGI-SNVBAGLBSA-N 0 0 336.348 1.216 10 0 EDAERN COCCN1CCN(C(=O)NCCO[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000247170105 139138556 /nfs/dbraw/zinc/13/85/56/139138556.db2.gz QZNQESGQXRWGJM-IXDOHACOSA-N 0 0 341.496 1.944 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000247195331 139140086 /nfs/dbraw/zinc/14/00/86/139140086.db2.gz ZSJOPWNHAFBYPF-OCVGTWLNSA-N 0 0 337.464 1.890 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)Cc2ccc(O)cc2)C[C@H]1C ZINC000247221271 139141075 /nfs/dbraw/zinc/14/10/75/139141075.db2.gz VMWKYOFEQNIQEN-HUUCEWRRSA-N 0 0 335.448 1.685 10 0 EDAERN C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166673531 206533543 /nfs/dbraw/zinc/53/35/43/206533543.db2.gz VBXFUJVRXYAXFC-GHMZBOCLSA-N 0 0 343.177 1.320 10 0 EDAERN Cc1sc(NC(=O)Cn2c(C)cc(=O)cc2C)c(C(N)=O)c1C ZINC000170582272 206579096 /nfs/dbraw/zinc/57/90/96/206579096.db2.gz QOSVUVDCQMRQSU-UHFFFAOYSA-N 0 0 333.413 1.881 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000248649626 139170256 /nfs/dbraw/zinc/17/02/56/139170256.db2.gz VTSBKZBCEFEWTN-KBRIMQKVSA-N 0 0 338.423 1.865 10 0 EDAERN COc1cccc(-c2nc(CN3CCOC[C@H]3C(N)=O)cs2)c1 ZINC000092229088 218128092 /nfs/dbraw/zinc/12/80/92/218128092.db2.gz UZTDVELEIWRELG-AWEZNQCLSA-N 0 0 333.413 1.505 10 0 EDAERN C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1N1CCOCC1 ZINC000248955738 139181432 /nfs/dbraw/zinc/18/14/32/139181432.db2.gz FVDILAVQPXUFGX-NWDGAFQWSA-N 0 0 328.350 1.556 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)N3CCC[C@@H](C)C3)CCO2)n1 ZINC000249220562 139189464 /nfs/dbraw/zinc/18/94/64/139189464.db2.gz FXVHBDWNZHETQJ-DGCLKSJQSA-N 0 0 345.490 1.802 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(COC)c1 ZINC000249681597 139197019 /nfs/dbraw/zinc/19/70/19/139197019.db2.gz BSYIJOARJRHYBM-HNNXBMFYSA-N 0 0 340.445 1.976 10 0 EDAERN C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCO1 ZINC000255710462 139208186 /nfs/dbraw/zinc/20/81/86/139208186.db2.gz PQZLKEWTWMOITE-KBUPBQIOSA-N 0 0 327.469 1.741 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)c3ccccn3)C2)c1 ZINC000172542469 206842436 /nfs/dbraw/zinc/84/24/36/206842436.db2.gz YFBZLAKLIBVORX-CQSZACIVSA-N 0 0 327.388 1.180 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCc2nncn2C2CC2)C1 ZINC000173158397 206897876 /nfs/dbraw/zinc/89/78/76/206897876.db2.gz CRGIZNPKZUECDP-NWDGAFQWSA-N 0 0 349.435 1.923 10 0 EDAERN C[C@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1N1CCOCC1 ZINC000173864766 206966004 /nfs/dbraw/zinc/96/60/04/206966004.db2.gz MGDNIJIVYNQKGE-GOEBONIOSA-N 0 0 343.431 1.004 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000174705597 207047766 /nfs/dbraw/zinc/04/77/66/207047766.db2.gz ADLBZBFRGBIQCC-LLVKDONJSA-N 0 0 329.356 1.865 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC2(O)CCOCC2)[C@@H]1c1ccccc1 ZINC000174816444 207061935 /nfs/dbraw/zinc/06/19/35/207061935.db2.gz RRFMKWIGMGFOOJ-RDJZCZTQSA-N 0 0 346.427 1.254 10 0 EDAERN Cc1ccc([C@H](CNC(=O)NCC[C@H](C)O)N2CCOCC2)s1 ZINC000175005397 207083776 /nfs/dbraw/zinc/08/37/76/207083776.db2.gz FOTLJYDRXSVMOW-JSGCOSHPSA-N 0 0 341.477 1.500 10 0 EDAERN Cc1cc([C@@](C)(O)CNC(=O)N[C@@H]2CCc3ncnn3C2)c(C)o1 ZINC000175110106 207094683 /nfs/dbraw/zinc/09/46/83/207094683.db2.gz ACMAZSVWZYOTQA-WBMJQRKESA-N 0 0 333.392 1.010 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175559367 207138101 /nfs/dbraw/zinc/13/81/01/207138101.db2.gz IHSCJKKHVQETGO-STQMWFEESA-N 0 0 326.356 1.096 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2n[nH]nc2c1 ZINC000175832764 207164090 /nfs/dbraw/zinc/16/40/90/207164090.db2.gz HYGNQMNLLHCZFQ-CYBMUJFWSA-N 0 0 337.405 1.101 10 0 EDAERN O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CCCn2ncnc21 ZINC000175896756 207171330 /nfs/dbraw/zinc/17/13/30/207171330.db2.gz KOWMTAJRGAFJHI-CQSZACIVSA-N 0 0 340.387 1.827 10 0 EDAERN CN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000175982413 207179952 /nfs/dbraw/zinc/17/99/52/207179952.db2.gz DJNZABBGKBKFSN-HZPDHXFCSA-N 0 0 333.432 1.495 10 0 EDAERN CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000176014438 207183241 /nfs/dbraw/zinc/18/32/41/207183241.db2.gz RWWMWSLGHSNGBT-AWEZNQCLSA-N 0 0 343.387 1.575 10 0 EDAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)n1 ZINC000188371235 272956047 /nfs/dbraw/zinc/95/60/47/272956047.db2.gz PYTFUAFQZPSCHY-PWSUYJOCSA-N 0 0 334.376 1.808 10 0 EDAERN O=C(CCNC(=O)N[C@@H]1CCCn2ncnc21)Nc1ccccc1 ZINC000177329983 207321435 /nfs/dbraw/zinc/32/14/35/207321435.db2.gz RUDUVZTXQZVTEJ-CYBMUJFWSA-N 0 0 328.376 1.441 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177520834 207347278 /nfs/dbraw/zinc/34/72/78/207347278.db2.gz PQXHLGFYNVKSGY-ZDUSSCGKSA-N 0 0 331.397 1.990 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cn(Cc2cccs2)nn1 ZINC000177559824 207353555 /nfs/dbraw/zinc/35/35/55/207353555.db2.gz XTLRCXNMRZHWBK-LLVKDONJSA-N 0 0 329.389 1.244 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(F)c3)C2)no1 ZINC000177591001 207361764 /nfs/dbraw/zinc/36/17/64/207361764.db2.gz HOKBZVROQZTXQJ-GFCCVEGCSA-N 0 0 346.362 1.937 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccnc(OCC(F)(F)F)c1 ZINC000177608545 207363490 /nfs/dbraw/zinc/36/34/90/207363490.db2.gz MLKJEIIFCKNODQ-SNVBAGLBSA-N 0 0 341.293 1.879 10 0 EDAERN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000177627891 207365933 /nfs/dbraw/zinc/36/59/33/207365933.db2.gz GNIQCWDPHFCQQI-CYBMUJFWSA-N 0 0 343.387 1.135 10 0 EDAERN COc1cccc(S(=O)(=O)CCN2CCN3CCCC[C@@H]3C2)c1 ZINC000177778917 207396129 /nfs/dbraw/zinc/39/61/29/207396129.db2.gz BYMMPFKBIAXWIM-OAHLLOKOSA-N 0 0 338.473 1.639 10 0 EDAERN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)no1 ZINC000179636925 207660441 /nfs/dbraw/zinc/66/04/41/207660441.db2.gz NOIKYFIGWGVSQO-SNVBAGLBSA-N 0 0 337.401 1.936 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1)[C@H]1CCCO1 ZINC000180370043 207768119 /nfs/dbraw/zinc/76/81/19/207768119.db2.gz IGVYGCYBXUOOHV-BXUZGUMPSA-N 0 0 328.372 1.699 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)C(C)(C)CCOC)ncn1 ZINC000183813338 533050962 /nfs/dbraw/zinc/05/09/62/533050962.db2.gz RWINNRYKENNXPK-ZDUSSCGKSA-N 0 0 335.452 1.666 10 0 EDAERN Cc1ccc(F)c(CC(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 ZINC000570366433 306538981 /nfs/dbraw/zinc/53/89/81/306538981.db2.gz DUHJFSLEGHCQFZ-VKJFTORMSA-N 0 0 334.391 1.619 10 0 EDAERN COc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000174680803 533186858 /nfs/dbraw/zinc/18/68/58/533186858.db2.gz BJIHZFQCDSMWID-AWEZNQCLSA-N 0 0 342.399 1.826 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCN1CCOC ZINC000117371580 221059306 /nfs/dbraw/zinc/05/93/06/221059306.db2.gz GCZDHIAGPZJKHM-MRXNPFEDSA-N 0 0 344.452 1.698 10 0 EDAERN COCCN1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C[C@H]1C ZINC000117285089 221044039 /nfs/dbraw/zinc/04/40/39/221044039.db2.gz AHGWSEMLNBEPRS-HUUCEWRRSA-N 0 0 348.447 1.376 10 0 EDAERN COCCN1CCN(C(=O)CCNC(=O)c2ccsc2)C[C@@H]1C ZINC000117295695 221047787 /nfs/dbraw/zinc/04/77/87/221047787.db2.gz SYHUJSBOPBEYEN-ZDUSSCGKSA-N 0 0 339.461 1.047 10 0 EDAERN CCc1nc(CNC(=O)N2CCN(CCOC)[C@@H](C)C2)cs1 ZINC000117494323 221071744 /nfs/dbraw/zinc/07/17/44/221071744.db2.gz WTAIYYPYBRTSSS-LBPRGKRZSA-N 0 0 326.466 1.568 10 0 EDAERN CCOc1ccccc1CCNC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117491317 221071804 /nfs/dbraw/zinc/07/18/04/221071804.db2.gz HOSZZECHQSXUAO-INIZCTEOSA-N 0 0 349.475 1.990 10 0 EDAERN CCC1(CNS(=O)(=O)c2cc(Br)cnc2N)CC1 ZINC000119256827 221278866 /nfs/dbraw/zinc/27/88/66/221278866.db2.gz SKRIFGNGJXRILA-UHFFFAOYSA-N 0 0 334.239 1.895 10 0 EDAERN O=C(c1ccnc(-n2cncn2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119504286 221335348 /nfs/dbraw/zinc/33/53/48/221335348.db2.gz WNELASXCAWANPK-PBHICJAKSA-N 0 0 327.388 1.430 10 0 EDAERN O=C(c1ncccn1)N1CC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC000247872625 257676723 /nfs/dbraw/zinc/67/67/23/257676723.db2.gz RNQGKBHEBOZAMJ-MAUKXSAKSA-N 0 0 347.415 1.293 10 0 EDAERN O=C([C@@H]1CCCO1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC000247763315 257679650 /nfs/dbraw/zinc/67/96/50/257679650.db2.gz IWIQISQYZNZDNG-HOTGVXAUSA-N 0 0 328.412 1.688 10 0 EDAERN COCc1noc([C@@H](C)N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 ZINC000181838113 533297209 /nfs/dbraw/zinc/29/72/09/533297209.db2.gz FTZYOGFWPSQUJJ-WDEREUQCSA-N 0 0 336.396 1.347 10 0 EDAERN CS(=O)(=O)CCNc1cccc(Br)c1C(N)=S ZINC000168682655 533360251 /nfs/dbraw/zinc/36/02/51/533360251.db2.gz GNXIQNUSLHISCB-UHFFFAOYSA-N 0 0 337.264 1.540 10 0 EDAERN O=C(Cn1ncccc1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038926502 132397202 /nfs/dbraw/zinc/39/72/02/132397202.db2.gz QITCCDMUOMIYRD-UHFFFAOYSA-N 0 0 332.791 1.246 10 0 EDAERN COCCNC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000038692954 132397403 /nfs/dbraw/zinc/39/74/03/132397403.db2.gz PPECBSMSZKERON-UHFFFAOYSA-N 0 0 327.406 1.167 10 0 EDAERN CCN1C(=O)CCc2cc(NC(=O)CN3C(=O)CCC3=O)ccc21 ZINC000038706807 132397607 /nfs/dbraw/zinc/39/76/07/132397607.db2.gz CJZSNLQBVVVJQD-UHFFFAOYSA-N 0 0 329.356 1.073 10 0 EDAERN Cc1ccc(OCC(=O)Nc2ccccc2N2CCNC(=O)C2)cc1 ZINC000049412507 132430782 /nfs/dbraw/zinc/43/07/82/132430782.db2.gz WOVHOKNSKPBPME-UHFFFAOYSA-N 0 0 339.395 1.949 10 0 EDAERN CC[C@@H]1C(=O)NCCN1c1cccc(Br)c1C(N)=S ZINC000168743981 135579741 /nfs/dbraw/zinc/57/97/41/135579741.db2.gz SKYWNTFQUCQBNC-SECBINFHSA-N 0 0 342.262 1.798 10 0 EDAERN O=c1oc2cccnc2n1CN1CCN(c2ccc(F)cc2)CC1 ZINC000027556530 135644486 /nfs/dbraw/zinc/64/44/86/135644486.db2.gz BNKPIBNLXWVEBN-UHFFFAOYSA-N 0 0 328.347 1.908 10 0 EDAERN O=C(Nc1ccc2c(c1)OCC(=O)N2CCN1CCOCC1)C1CC1 ZINC000020371626 135720297 /nfs/dbraw/zinc/72/02/97/135720297.db2.gz IMTBGEZGKRQWIK-UHFFFAOYSA-N 0 0 345.399 1.093 10 0 EDAERN O=C(c1ccc2c(c1)NC(=O)CNC2=O)N1CCC[C@@](F)(CO)C1 ZINC000329119241 140696689 /nfs/dbraw/zinc/69/66/89/140696689.db2.gz VIERXBCLNQFVLH-INIZCTEOSA-N 0 0 335.335 1.529 10 0 EDAERN C[C@@H]1CC[C@@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000333026626 141252160 /nfs/dbraw/zinc/25/21/60/141252160.db2.gz GOAQRUJERFPLJQ-GDBMZVCRSA-N 0 0 336.480 1.419 10 0 EDAERN C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333082973 141260727 /nfs/dbraw/zinc/26/07/27/141260727.db2.gz QXFRTZUBPNVQHN-FUHIMQAGSA-N 0 0 344.455 1.887 10 0 EDAERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)[C@H]2CCCCO2)cnn1C ZINC000333399144 141311653 /nfs/dbraw/zinc/31/16/53/141311653.db2.gz FCPYSIJGDXAQNJ-MSQAHXEGSA-N 0 0 336.436 1.815 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CCS(=O)(=O)C[C@@H](C)C3)c2)n[nH]1 ZINC000333400689 141312021 /nfs/dbraw/zinc/31/20/21/141312021.db2.gz FHVUKKRBFRUFME-NSHDSACASA-N 0 0 348.428 1.287 10 0 EDAERN NC(=O)[C@@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000333572972 141338973 /nfs/dbraw/zinc/33/89/73/141338973.db2.gz SEPYPCMOUVIRSX-NXEZZACHSA-N 0 0 343.371 1.058 10 0 EDAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000333731997 141368187 /nfs/dbraw/zinc/36/81/87/141368187.db2.gz PUNSBWGZZZJRGB-UKRRQHHQSA-N 0 0 345.451 1.525 10 0 EDAERN Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCn4ncnc43)CC2=O)cc1 ZINC000177585355 292140280 /nfs/dbraw/zinc/14/02/80/292140280.db2.gz VNMFVSUCDFTIKB-HIFRSBDPSA-N 0 0 339.399 1.591 10 0 EDAERN CCOCCN1CCN(C(=O)/C=C\c2ccc(OC)c(O)c2)C[C@@H]1C ZINC000493304877 286082671 /nfs/dbraw/zinc/08/26/71/286082671.db2.gz OWXNDFPESSVUPB-LYASGUKUSA-N 0 0 348.443 1.983 10 0 EDAERN CCOCc1ccccc1CNC(=O)CN1CCC[C@H](NC(C)=O)C1 ZINC000080025466 286181760 /nfs/dbraw/zinc/18/17/60/286181760.db2.gz SNWOXIMBGIQSKG-SFHVURJKSA-N 0 0 347.459 1.440 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N(CC)CC(C)(C)O)C12CCOCC2 ZINC000185697258 286259013 /nfs/dbraw/zinc/25/90/13/286259013.db2.gz RXZIPUIDOCLDEL-ZIAGYGMSSA-N 0 0 328.453 1.763 10 0 EDAERN COc1ccc(Br)cc1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093885163 286270468 /nfs/dbraw/zinc/27/04/68/286270468.db2.gz SVQZPGYCIGALIK-JQWIXIFHSA-N 0 0 327.178 1.287 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)NCCC(=O)N2CCN(C)CC2)cc1 ZINC000049786864 287219100 /nfs/dbraw/zinc/21/91/00/287219100.db2.gz SMKCBALJNZQGGR-HNNXBMFYSA-N 0 0 346.475 1.773 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H]1C(=O)N(CC)CC ZINC000073783898 287264708 /nfs/dbraw/zinc/26/47/08/287264708.db2.gz MPZMKNIFOXJUDL-ZIAGYGMSSA-N 0 0 340.468 1.334 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCc1cnn(C)c1 ZINC000074063451 287267562 /nfs/dbraw/zinc/26/75/62/287267562.db2.gz CZYOOEPCSDINNX-HNNXBMFYSA-N 0 0 335.452 1.395 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(F)c2)C1 ZINC000075109906 287275373 /nfs/dbraw/zinc/27/53/73/287275373.db2.gz MENZZWOOVJPMHI-DOMZBBRYSA-N 0 0 337.395 1.903 10 0 EDAERN C[C@@H](CNC(=O)N(C)CCOc1ccc(F)cc1)N1CCOCC1 ZINC000079252552 287298841 /nfs/dbraw/zinc/29/88/41/287298841.db2.gz ZRYVBJUBDLMTNQ-AWEZNQCLSA-N 0 0 339.411 1.567 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)COCCOc1ccccc1 ZINC000081582293 287314130 /nfs/dbraw/zinc/31/41/30/287314130.db2.gz BSWLYXOODKELTI-HNNXBMFYSA-N 0 0 330.388 1.633 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000091049774 287332079 /nfs/dbraw/zinc/33/20/79/287332079.db2.gz DUPGHUHPDCVBNX-TXEJJXNPSA-N 0 0 342.465 1.026 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3c[nH]c4ncccc34)CCO2)c1 ZINC000120175540 287359091 /nfs/dbraw/zinc/35/90/91/287359091.db2.gz QMHNKUWMCGQYRU-HNNXBMFYSA-N 0 0 339.399 1.538 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CCCC[C@@H]2O)c(O)c1 ZINC000121117145 287368364 /nfs/dbraw/zinc/36/83/64/287368364.db2.gz UPMYGCRPKNDWMK-ZFWWWQNUSA-N 0 0 334.416 1.488 10 0 EDAERN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000005234523 287391798 /nfs/dbraw/zinc/39/17/98/287391798.db2.gz PBTKNYLVBXDIMG-VXGBXAGGSA-N 0 0 337.445 1.829 10 0 EDAERN O=S(=O)(N1CC=C(C(F)(F)F)CC1)N1CCCC[C@H]1CO ZINC000167373388 226189084 /nfs/dbraw/zinc/18/90/84/226189084.db2.gz RGDGHJNCNHKSTM-NSHDSACASA-N 0 0 328.356 1.272 10 0 EDAERN COc1ccc(C(=O)N2CCOC[C@H]2CO)cc1Br ZINC000168174151 226209806 /nfs/dbraw/zinc/20/98/06/226209806.db2.gz XLTWLKLUSNRVQH-SNVBAGLBSA-N 0 0 330.178 1.291 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)N1CCCCC1 ZINC000120732121 221658999 /nfs/dbraw/zinc/65/89/99/221658999.db2.gz YFIMKZNYSRLYIO-ZDUSSCGKSA-N 0 0 332.404 1.325 10 0 EDAERN CC(C)C(=O)NCCCNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000121951762 221982488 /nfs/dbraw/zinc/98/24/88/221982488.db2.gz MHMRNQXJCPVFPI-LBPRGKRZSA-N 0 0 340.449 1.388 10 0 EDAERN CC(=O)N[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)C1CCCC1 ZINC000123273311 222246309 /nfs/dbraw/zinc/24/63/09/222246309.db2.gz XGHGGUSLLCXOFI-SJORKVTESA-N 0 0 331.416 1.756 10 0 EDAERN COc1c(CNC(=O)c2cnn(C3CCOCC3)c2C)c(C)nn1C ZINC000123708750 222320420 /nfs/dbraw/zinc/32/04/20/222320420.db2.gz FXLGQHGMPQQAHY-UHFFFAOYSA-N 0 0 347.419 1.524 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000191492732 272979850 /nfs/dbraw/zinc/97/98/50/272979850.db2.gz ILECZFSAPXJXLN-UHFFFAOYSA-N 0 0 343.408 1.961 10 0 EDAERN CCOC(=O)[C@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccc(Cl)cc1 ZINC000193865821 272999101 /nfs/dbraw/zinc/99/91/01/272999101.db2.gz SPJGNKSRGSRAOS-BXUZGUMPSA-N 0 0 338.791 1.587 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245457302 273015104 /nfs/dbraw/zinc/01/51/04/273015104.db2.gz JSPDTYWWQCHVDQ-KFWWJZLASA-N 0 0 346.431 1.541 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)no1 ZINC000171337239 267525573 /nfs/dbraw/zinc/52/55/73/267525573.db2.gz ICXSBXIKHWBPGY-AWEZNQCLSA-N 0 0 334.420 1.562 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)c1ccc(OC)c(F)c1)C(C)C ZINC000178420896 267562073 /nfs/dbraw/zinc/56/20/73/267562073.db2.gz OWXSSKOHKPZPRB-IINYFYTJSA-N 0 0 325.384 1.965 10 0 EDAERN O=C(c1cnc(-c2ccccc2)nc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077026 272924463 /nfs/dbraw/zinc/92/44/63/272924463.db2.gz WZIHKBFXNJOAPN-KRWDZBQOSA-N 0 0 349.394 1.881 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)CCC(=O)N1CCOCC1 ZINC000172965910 272932725 /nfs/dbraw/zinc/93/27/25/272932725.db2.gz YUVBKAWJILKVED-HNNXBMFYSA-N 0 0 334.416 1.347 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)CCO1 ZINC000181585149 272944311 /nfs/dbraw/zinc/94/43/11/272944311.db2.gz IZRWLNITSWQCOO-ZANVPECISA-N 0 0 343.786 1.697 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000245507458 287712214 /nfs/dbraw/zinc/71/22/14/287712214.db2.gz QCPOYHKYAKFODJ-CRWXNKLISA-N 0 0 335.452 1.972 10 0 EDAERN CC(C)c1nnc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)n1C ZINC000246070486 287725649 /nfs/dbraw/zinc/72/56/49/287725649.db2.gz CKZQHQDDTLCKNI-CHWSQXEVSA-N 0 0 328.482 1.726 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)C(C)C ZINC000246185948 287731369 /nfs/dbraw/zinc/73/13/69/287731369.db2.gz JZJHBXCJEPTODZ-BPLDGKMQSA-N 0 0 346.431 1.250 10 0 EDAERN COc1ccc(/C=C\C(=O)N[C@H]2CCCn3ncnc32)cc1OC ZINC000255558012 287843901 /nfs/dbraw/zinc/84/39/01/287843901.db2.gz DGPOWBCYJGECJN-WOLRVDTOSA-N 0 0 328.372 1.960 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)CCc2ccncc2)CC1 ZINC000105816374 277003432 /nfs/dbraw/zinc/00/34/32/277003432.db2.gz QFAYKQFGOKBWPX-UHFFFAOYSA-N 0 0 325.416 1.932 10 0 EDAERN COCCn1ccnc1CN1CCc2nc[nH]c2[C@H]1c1ccccn1 ZINC000067447301 277243266 /nfs/dbraw/zinc/24/32/66/277243266.db2.gz SBTABYGXAZUDFV-GOSISDBHSA-N 0 0 338.415 1.795 10 0 EDAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ccc3c(n2)CCCC3=O)C1 ZINC000333734608 277345688 /nfs/dbraw/zinc/34/56/88/277345688.db2.gz UQXXWYVIKANMTO-BBRMVZONSA-N 0 0 343.427 1.817 10 0 EDAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCc2nncn2C1 ZINC000328928673 277876431 /nfs/dbraw/zinc/87/64/31/277876431.db2.gz YBIGLHDCNHTRSR-UKRRQHHQSA-N 0 0 325.416 1.708 10 0 EDAERN CC(C)n1ncc2ccc(NC(=O)C(=O)N3CCC[C@H]3CO)cc21 ZINC000189923190 278149864 /nfs/dbraw/zinc/14/98/64/278149864.db2.gz LQPBJTYIAGISCG-AWEZNQCLSA-N 0 0 330.388 1.539 10 0 EDAERN CC(C)n1nnnc1CN1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000195516585 278154476 /nfs/dbraw/zinc/15/44/76/278154476.db2.gz YWIZBWFWAGEVKN-HNNXBMFYSA-N 0 0 346.416 1.599 10 0 EDAERN CC1=C(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)[C@H](C)n2ncnc2N1C ZINC000195266408 278483383 /nfs/dbraw/zinc/48/33/83/278483383.db2.gz RUSAYSPVFSUMRD-QWHCGFSZSA-N 0 0 341.419 1.313 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000247054015 279122632 /nfs/dbraw/zinc/12/26/32/279122632.db2.gz HAFIXEMULZGXQE-MELADBBJSA-N 0 0 335.514 1.426 10 0 EDAERN C[C@@]1(C[C@@H]2CCCN2c2cnc3c(n2)CCCC3)NC(=O)NC1=O ZINC000333534950 279163996 /nfs/dbraw/zinc/16/39/96/279163996.db2.gz MULQKLGISCOEGC-GTNSWQLSSA-N 0 0 329.404 1.312 10 0 EDAERN O=C(N[C@@H]1COc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000058577697 279929255 /nfs/dbraw/zinc/92/92/55/279929255.db2.gz BZIFDSXAPZTYSC-CQSZACIVSA-N 0 0 325.372 1.442 10 0 EDAERN O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccccc1F ZINC000246802152 280314234 /nfs/dbraw/zinc/31/42/34/280314234.db2.gz BEMOZEYSNPMDBV-PBHICJAKSA-N 0 0 333.407 1.338 10 0 EDAERN Cc1nc2cc(F)cc(C(=O)N[C@@H]3CCc4ncnn4C3)c2nc1C ZINC000172003013 282049946 /nfs/dbraw/zinc/04/99/46/282049946.db2.gz RDTVXPYUXXZCKA-GFCCVEGCSA-N 0 0 340.362 1.722 10 0 EDAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2c3n(c(=O)n2C)CCCC3)[nH]1 ZINC000333615010 293362799 /nfs/dbraw/zinc/36/27/99/293362799.db2.gz XKOYIHUZCFZSMF-ZDUSSCGKSA-N 0 0 344.419 1.317 10 0 EDAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC000333714766 302160245 /nfs/dbraw/zinc/16/02/45/302160245.db2.gz HBIPOVAXRHYABK-QAETUUGQSA-N 0 0 349.452 1.513 10 0 EDAERN COC(=O)CSc1nnc(N)n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000001923457 440853741 /nfs/dbraw/zinc/85/37/41/440853741.db2.gz MFKHDDRJOYICSF-UHFFFAOYSA-N 0 0 349.416 1.381 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)c2nc3nccc(C)n3n2)cc1OC ZINC000045443429 440986957 /nfs/dbraw/zinc/98/69/57/440986957.db2.gz KGYMACJNUQWOBI-LLVKDONJSA-N 0 0 341.371 1.941 10 0 EDAERN COC(=O)CCCNS(=O)(=O)c1ccc(Br)s1 ZINC000007304586 441044726 /nfs/dbraw/zinc/04/47/26/441044726.db2.gz KMEMJSQAJSYSPP-UHFFFAOYSA-N 0 0 342.236 1.742 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC000046579480 441114667 /nfs/dbraw/zinc/11/46/67/441114667.db2.gz JBAAIMQUVMQYHQ-MRVPVSSYSA-N 0 0 346.309 1.203 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCC(=O)NC(C)C)C(C)C ZINC000008166836 441085036 /nfs/dbraw/zinc/08/50/36/441085036.db2.gz BOSPGOJKUDGGPT-INIZCTEOSA-N 0 0 333.432 1.390 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000046826090 441127855 /nfs/dbraw/zinc/12/78/55/441127855.db2.gz BYMVEBQOLYSTOL-KCQAQPDRSA-N 0 0 333.432 1.424 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OC(F)F)C[C@@H](C)O1 ZINC000080197544 441149504 /nfs/dbraw/zinc/14/95/04/441149504.db2.gz UUPNPGUAAJEYBU-NXEZZACHSA-N 0 0 328.315 1.862 10 0 EDAERN O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1 ZINC000015766848 441210786 /nfs/dbraw/zinc/21/07/86/441210786.db2.gz SEMNCKQEBCMFOL-UHFFFAOYSA-N 0 0 348.428 1.696 10 0 EDAERN O[C@@H](CN1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCO2 ZINC000059308041 441227790 /nfs/dbraw/zinc/22/77/90/441227790.db2.gz WJRUVGRTJSLJFC-HNNXBMFYSA-N 0 0 327.384 1.666 10 0 EDAERN CC1(C)NC(=O)N(CC(=O)c2ccccc2Br)C1=O ZINC000047818970 441228768 /nfs/dbraw/zinc/22/87/68/441228768.db2.gz OVHTZBGJBPMGBX-UHFFFAOYSA-N 0 0 325.162 1.962 10 0 EDAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)N[C@H]1CCCC[C@@H]1CO ZINC000081475697 441275444 /nfs/dbraw/zinc/27/54/44/441275444.db2.gz QKRJHWGMKYWYRK-CJNGLKHVSA-N 0 0 349.431 1.735 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3cc(C(C)=O)c[nH]3)CC2)n1 ZINC000105819878 441278242 /nfs/dbraw/zinc/27/82/42/441278242.db2.gz QZNGOMFTDSOOAK-UHFFFAOYSA-N 0 0 343.387 1.368 10 0 EDAERN FC(F)(F)c1nnc2ccc(NC[C@H]3CN(C4CC4)CCO3)nn21 ZINC000106369570 441335093 /nfs/dbraw/zinc/33/50/93/441335093.db2.gz FFWRUJZWZDMKCQ-JTQLQIEISA-N 0 0 342.325 1.418 10 0 EDAERN COCc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000025793890 441356974 /nfs/dbraw/zinc/35/69/74/441356974.db2.gz XONYNSRPAHBDEU-QGZVFWFLSA-N 0 0 341.411 1.729 10 0 EDAERN C[C@@H](C(N)=O)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 ZINC000085704775 441447843 /nfs/dbraw/zinc/44/78/43/441447843.db2.gz KNJARNQVHMSPSE-LBPRGKRZSA-N 0 0 345.378 1.404 10 0 EDAERN CSc1ncc(Cl)c(C(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000029960990 441480892 /nfs/dbraw/zinc/48/08/92/441480892.db2.gz FCZZDKRKVHQLCB-VIFPVBQESA-N 0 0 330.841 1.302 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000087563462 441494150 /nfs/dbraw/zinc/49/41/50/441494150.db2.gz SICHWFXTYAHGAC-KBPBESRZSA-N 0 0 340.383 1.573 10 0 EDAERN C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000087896377 441494367 /nfs/dbraw/zinc/49/43/67/441494367.db2.gz KMXGBPMUXYRREA-LDYMZIIASA-N 0 0 332.809 1.285 10 0 EDAERN c1cnn(C[C@@H]2CN(c3ccc4nnc(C5CC5)n4n3)CCO2)c1 ZINC000109320821 441495195 /nfs/dbraw/zinc/49/51/95/441495195.db2.gz YAPNFTMVBPVDLR-ZDUSSCGKSA-N 0 0 325.376 1.104 10 0 EDAERN Cn1cccc(NC(=O)C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1=O ZINC000086450000 441467257 /nfs/dbraw/zinc/46/72/57/441467257.db2.gz UBUFAAHGDCCKAG-CYBMUJFWSA-N 0 0 345.786 1.781 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-n2ccnc2)nc1 ZINC000088280952 441502383 /nfs/dbraw/zinc/50/23/83/441502383.db2.gz IMWRTQWPLCOFRM-ZDUSSCGKSA-N 0 0 337.387 1.686 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1O ZINC000112725382 441555733 /nfs/dbraw/zinc/55/57/33/441555733.db2.gz UAKNFIAXAKTLTE-VIFPVBQESA-N 0 0 337.177 1.491 10 0 EDAERN O=C(Nc1ccc2oc(=O)ccc2c1)N[C@H]1CCc2ncnn2C1 ZINC000112712192 441555863 /nfs/dbraw/zinc/55/58/63/441555863.db2.gz SXXCQMXTAYQJDQ-LBPRGKRZSA-N 0 0 325.328 1.521 10 0 EDAERN O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1CCc2ncnn2C1 ZINC000112745898 441557948 /nfs/dbraw/zinc/55/79/48/441557948.db2.gz HCVPMARLYQDELL-CQSZACIVSA-N 0 0 337.387 1.278 10 0 EDAERN CCCOc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000112749701 441558035 /nfs/dbraw/zinc/55/80/35/441558035.db2.gz FHWOODSCZIBNAK-CYBMUJFWSA-N 0 0 330.392 1.276 10 0 EDAERN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000113228668 441590848 /nfs/dbraw/zinc/59/08/48/441590848.db2.gz WWAODDUOUVGCDX-VXGBXAGGSA-N 0 0 326.418 1.133 10 0 EDAERN CCS(=O)(=O)C[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000113234549 441591508 /nfs/dbraw/zinc/59/15/08/441591508.db2.gz ZUHXMYFDXIIDHH-ZFWWWQNUSA-N 0 0 326.462 1.099 10 0 EDAERN C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc2ccccc2c1 ZINC000113402843 441605390 /nfs/dbraw/zinc/60/53/90/441605390.db2.gz UTMGIZOXWFHTJH-GFCCVEGCSA-N 0 0 340.383 1.752 10 0 EDAERN Cc1c(Br)cccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000090866171 441644578 /nfs/dbraw/zinc/64/45/78/441644578.db2.gz KDXPJQTXGQEUIL-NSHDSACASA-N 0 0 327.222 1.818 10 0 EDAERN CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)OC(C)C ZINC000114424682 441656145 /nfs/dbraw/zinc/65/61/45/441656145.db2.gz NJRVZGQJZQWATK-OLZOCXBDSA-N 0 0 338.404 1.880 10 0 EDAERN Cc1nc(CCCNC(=O)C2CCN(CC(N)=O)CC2)sc1C ZINC000091603510 441717720 /nfs/dbraw/zinc/71/77/20/441717720.db2.gz IEJSZABQIWYPNA-UHFFFAOYSA-N 0 0 338.477 1.006 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000067863058 441689032 /nfs/dbraw/zinc/68/90/32/441689032.db2.gz FMJMADRLUOHZIC-NWDGAFQWSA-N 0 0 345.490 1.833 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccncc2)ncn1 ZINC000173289980 441704319 /nfs/dbraw/zinc/70/43/19/441704319.db2.gz BJCOQIKTIDYMKN-CYBMUJFWSA-N 0 0 327.392 1.704 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccncc3)C2=O)n(C)n1 ZINC000173320029 441713292 /nfs/dbraw/zinc/71/32/92/441713292.db2.gz JUHXRERRLWTDDN-CYBMUJFWSA-N 0 0 328.376 1.441 10 0 EDAERN C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H]3CN(C)CCO3)cc2)CCO1 ZINC000173398444 441734618 /nfs/dbraw/zinc/73/46/18/441734618.db2.gz CRAOZKLDLMPWNZ-RHSMWYFYSA-N 0 0 348.447 1.364 10 0 EDAERN Cc1ccc(Br)c(C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091782559 441742121 /nfs/dbraw/zinc/74/21/21/441742121.db2.gz KPJPVOYDQWJMTK-LLVKDONJSA-N 0 0 327.178 1.084 10 0 EDAERN Cc1ccc([C@H]2CCCCN2C(=O)NCCCN2C(=O)CNC2=O)o1 ZINC000173494219 441769151 /nfs/dbraw/zinc/76/91/51/441769151.db2.gz YWPDEWLMMXBAOL-CYBMUJFWSA-N 0 0 348.403 1.767 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000091783353 441742543 /nfs/dbraw/zinc/74/25/43/441742543.db2.gz FZBDYFYQOGAGDF-SFHVURJKSA-N 0 0 338.407 1.921 10 0 EDAERN Cc1nc(-c2cccs2)sc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091783444 441742748 /nfs/dbraw/zinc/74/27/48/441742748.db2.gz ZQYKHFCFYMKPOH-VIFPVBQESA-N 0 0 337.426 1.506 10 0 EDAERN COc1ccc(CN(C)C(=O)[C@@H]2CNC(=O)C2)cc1OC(F)F ZINC000121641108 441748568 /nfs/dbraw/zinc/74/85/68/441748568.db2.gz NOGNHRLOPMQIGL-JTQLQIEISA-N 0 0 328.315 1.391 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccsc2)ncn1 ZINC000173443482 441752408 /nfs/dbraw/zinc/75/24/08/441752408.db2.gz ATVHRTOQFSAGOE-CYBMUJFWSA-N 0 0 331.445 1.908 10 0 EDAERN CCc1cc(NC(=O)C(=O)N[C@H](C)COCc2ccccc2)n(C)n1 ZINC000173533912 441782055 /nfs/dbraw/zinc/78/20/55/441782055.db2.gz FBOQLQVCOUSQDQ-CYBMUJFWSA-N 0 0 344.415 1.643 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cnc(C)nc3C(C)C)CCO2)[nH]1 ZINC000173538550 441783691 /nfs/dbraw/zinc/78/36/91/441783691.db2.gz NITDFYDFQOVJNO-CYBMUJFWSA-N 0 0 330.392 1.549 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(-c4cccnc4)on3)CCO2)[nH]1 ZINC000173538170 441783779 /nfs/dbraw/zinc/78/37/79/441783779.db2.gz BJQNSOXPIGIXEH-AWEZNQCLSA-N 0 0 340.343 1.377 10 0 EDAERN CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(F)ccc1F ZINC000121821898 441788893 /nfs/dbraw/zinc/78/88/93/441788893.db2.gz XQVYMPPNHMFPSH-LBPRGKRZSA-N 0 0 327.375 1.996 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccccc3OC)CCO2)[nH]1 ZINC000173556130 441789538 /nfs/dbraw/zinc/78/95/38/441789538.db2.gz VEWWQDXMHZTJJX-AWEZNQCLSA-N 0 0 330.388 1.518 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000121832218 441791591 /nfs/dbraw/zinc/79/15/91/441791591.db2.gz PHCWLARKCYXFMY-AEFFLSMTSA-N 0 0 337.464 1.582 10 0 EDAERN C[C@@H](NC(=O)c1ccc2nccn2c1)c1ccc(S(N)(=O)=O)cc1 ZINC000068509891 441810640 /nfs/dbraw/zinc/81/06/40/441810640.db2.gz RRMQFVGXJQUBHC-LLVKDONJSA-N 0 0 344.396 1.473 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000093149503 441861114 /nfs/dbraw/zinc/86/11/14/441861114.db2.gz MKRVYCHGOXIBNN-ZDUSSCGKSA-N 0 0 347.423 1.225 10 0 EDAERN COCCN1CCN(C(=O)NCCCNc2ccccn2)C[C@H]1C ZINC000117479788 441874603 /nfs/dbraw/zinc/87/46/03/441874603.db2.gz KSJVEWQDVIDSGF-OAHLLOKOSA-N 0 0 335.452 1.246 10 0 EDAERN C[C@H]1CCc2ccccc2N1C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173924214 441862254 /nfs/dbraw/zinc/86/22/54/441862254.db2.gz YOJKHBNHOSSPHV-WMZOPIPTSA-N 0 0 343.471 1.761 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2cccc3c2oc(=O)n3C)CC1 ZINC000122790568 441862752 /nfs/dbraw/zinc/86/27/52/441862752.db2.gz JYFPCFRBCAXSNM-UHFFFAOYSA-N 0 0 340.383 1.885 10 0 EDAERN CC(C)OCCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117024243 441862858 /nfs/dbraw/zinc/86/28/58/441862858.db2.gz DYRINWQJDGAGLJ-SFHVURJKSA-N 0 0 349.475 1.862 10 0 EDAERN C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1cccc(-n2ccnc2)c1 ZINC000173934525 441865414 /nfs/dbraw/zinc/86/54/14/441865414.db2.gz RTGKQERRUXMPPH-GFCCVEGCSA-N 0 0 325.372 1.658 10 0 EDAERN Cc1cccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000122851210 441865742 /nfs/dbraw/zinc/86/57/42/441865742.db2.gz LIKVEIBIOYVPHP-UHFFFAOYSA-N 0 0 338.375 1.182 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1N1CCOCC1 ZINC000173957360 441868960 /nfs/dbraw/zinc/86/89/60/441868960.db2.gz JJKREGHBERJDPW-WMLDXEAASA-N 0 0 341.415 1.060 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@@H]1N1CCOCC1 ZINC000173963667 441870148 /nfs/dbraw/zinc/87/01/48/441870148.db2.gz BVNAHAHHFNHEHZ-YOEHRIQHSA-N 0 0 345.443 1.181 10 0 EDAERN CC(=O)O[C@@H]1[C@@H]2CO[C@@H](O2)[C@H](OC(C)=O)[C@H]1OCc1ccccc1 ZINC000143231122 441870324 /nfs/dbraw/zinc/87/03/24/441870324.db2.gz WKEPLATVWYONRE-NNXHMXCWSA-N 0 0 336.340 1.190 10 0 EDAERN COCCN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000117425455 441872513 /nfs/dbraw/zinc/87/25/13/441872513.db2.gz DULOAONZJWTKPA-CQSZACIVSA-N 0 0 328.416 1.869 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)N(C)CC3CCCCC3)CCO2)[nH]1 ZINC000173682618 441822923 /nfs/dbraw/zinc/82/29/23/441822923.db2.gz AFPHYNVNRXWEQL-OAHLLOKOSA-N 0 0 335.452 1.525 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cn1 ZINC000116498169 441826161 /nfs/dbraw/zinc/82/61/61/441826161.db2.gz HIMHWVNLROIGQS-LLVKDONJSA-N 0 0 341.371 1.886 10 0 EDAERN COc1ncccc1C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122247315 441842005 /nfs/dbraw/zinc/84/20/05/441842005.db2.gz WQNZQTCCRJNSSL-CYBMUJFWSA-N 0 0 327.388 1.621 10 0 EDAERN COC(=O)NCCCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116776921 441842520 /nfs/dbraw/zinc/84/25/20/441842520.db2.gz SSWQHONIGNTCPL-AWEZNQCLSA-N 0 0 337.424 1.270 10 0 EDAERN COc1ccc(OC)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173815017 441844002 /nfs/dbraw/zinc/84/40/02/441844002.db2.gz IGMDWXMHPSSXSV-CZUORRHYSA-N 0 0 334.416 1.497 10 0 EDAERN CCOc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1OC ZINC000173812171 441844680 /nfs/dbraw/zinc/84/46/80/441844680.db2.gz SQNLVWWLOMKPLZ-HOCLYGCPSA-N 0 0 348.443 1.887 10 0 EDAERN C[C@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)C[C@@H]1N1CCOCC1 ZINC000173815765 441844686 /nfs/dbraw/zinc/84/46/86/441844686.db2.gz IXJMVVGSQQTGHB-GUYCJALGSA-N 0 0 341.411 1.321 10 0 EDAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1)C1CC1 ZINC000077747199 441845710 /nfs/dbraw/zinc/84/57/10/441845710.db2.gz GHNSINLEZKFMMZ-MEDUHNTESA-N 0 0 329.400 1.661 10 0 EDAERN Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C)[C@H](N4CCOCC4)C3)cc12 ZINC000173841699 441848137 /nfs/dbraw/zinc/84/81/37/441848137.db2.gz SJIFSAVOSQFNST-MLGOLLRUSA-N 0 0 343.431 1.069 10 0 EDAERN Cn1nccc1C1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173852638 441849991 /nfs/dbraw/zinc/84/99/91/441849991.db2.gz OKWRYVYTIMODMW-UHFFFAOYSA-N 0 0 344.390 1.582 10 0 EDAERN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000141512073 441852723 /nfs/dbraw/zinc/85/27/23/441852723.db2.gz YNSPUSIAMYISRJ-DFBGVHRSSA-N 0 0 347.394 1.543 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(OC)c1 ZINC000118672305 441901331 /nfs/dbraw/zinc/90/13/31/441901331.db2.gz VSORYHICPDSVOD-CYBMUJFWSA-N 0 0 342.399 1.893 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C[S@](=O)c2ncc(F)cn2)C1 ZINC000095084361 441909247 /nfs/dbraw/zinc/90/92/47/441909247.db2.gz WFZYVGFDWUDRNP-MLMJSJRWSA-N 0 0 329.397 1.980 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000124273107 441913569 /nfs/dbraw/zinc/91/35/69/441913569.db2.gz LHDACTYTRADMMA-RDJZCZTQSA-N 0 0 333.407 1.556 10 0 EDAERN C[C@H](CNC(=O)Nc1cnc(-c2ccccc2)nc1)N1CCOCC1 ZINC000149853683 441927024 /nfs/dbraw/zinc/92/70/24/441927024.db2.gz RKQMJUAGVVLTJF-CQSZACIVSA-N 0 0 341.415 1.986 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)c1 ZINC000117815923 441880149 /nfs/dbraw/zinc/88/01/49/441880149.db2.gz ORGJTKRYBWBPNL-GOSISDBHSA-N 0 0 341.459 1.296 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000118010984 441883783 /nfs/dbraw/zinc/88/37/83/441883783.db2.gz XOAZBESXSZCLRS-UHFFFAOYSA-N 0 0 345.403 1.480 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3nc(C)oc3c2)c1 ZINC000118132806 441890203 /nfs/dbraw/zinc/89/02/03/441890203.db2.gz YNFXBNGZCSQWSP-UHFFFAOYSA-N 0 0 327.344 1.396 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000118115824 441890713 /nfs/dbraw/zinc/89/07/13/441890713.db2.gz BSEJXHRGAMTUEE-AWEZNQCLSA-N 0 0 327.384 1.225 10 0 EDAERN C[C@H](CNC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)N1CCOCC1 ZINC000118467286 441895699 /nfs/dbraw/zinc/89/56/99/441895699.db2.gz JAPVFLXJMKQCFF-OAGGEKHMSA-N 0 0 341.496 1.848 10 0 EDAERN CC(C)(C)c1cc2c([nH]c(CCCS(N)(=O)=O)nc2=O)s1 ZINC000095986514 441972002 /nfs/dbraw/zinc/97/20/02/441972002.db2.gz OODTYYGOBWAMAW-UHFFFAOYSA-N 0 0 329.447 1.503 10 0 EDAERN CC(C)Oc1cccc(CN(C)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000124515290 441932655 /nfs/dbraw/zinc/93/26/55/441932655.db2.gz XRCRYRVPRUQTAV-KRWDZBQOSA-N 0 0 335.448 1.946 10 0 EDAERN CCn1cc(C(=O)C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cn1 ZINC000119725250 441948600 /nfs/dbraw/zinc/94/86/00/441948600.db2.gz VRDHZWBPZZTPSX-UHFFFAOYSA-N 0 0 343.387 1.932 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1nc(C(C)(C)C)no1 ZINC000174750736 441963378 /nfs/dbraw/zinc/96/33/78/441963378.db2.gz YUOYXFQXBFVNDP-MNOVXSKESA-N 0 0 325.413 1.058 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)c1nccn(C)c1=O ZINC000174742808 441964193 /nfs/dbraw/zinc/96/41/93/441964193.db2.gz RAYZDKNGFACOTN-ZDUSSCGKSA-N 0 0 334.445 1.352 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cnc2ccccc2c1O ZINC000125064446 441979235 /nfs/dbraw/zinc/97/92/35/441979235.db2.gz OOEOIMDATXZYBP-CYBMUJFWSA-N 0 0 349.394 1.717 10 0 EDAERN COc1ccc(-c2cc(C(=O)N[C@H]3CCCn4ncnc43)[nH]n2)cc1 ZINC000125109772 441985244 /nfs/dbraw/zinc/98/52/44/441985244.db2.gz BZJNJVDYKIZUFM-ZDUSSCGKSA-N 0 0 338.371 1.942 10 0 EDAERN Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000150985771 441986020 /nfs/dbraw/zinc/98/60/20/441986020.db2.gz JJOOZOIRRLIFBT-IAGOWNOFSA-N 0 0 332.444 1.711 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC(CC)(CC)CCO)CC2 ZINC000174962123 441989269 /nfs/dbraw/zinc/98/92/69/441989269.db2.gz UPHPGIRBLSHGCK-ZDUSSCGKSA-N 0 0 337.468 1.643 10 0 EDAERN C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1cccc(F)c1 ZINC000175113587 442005711 /nfs/dbraw/zinc/00/57/11/442005711.db2.gz LLYAMFDAJKRFIU-AAEUAGOBSA-N 0 0 333.367 1.499 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C12CCCC2 ZINC000120310139 442046399 /nfs/dbraw/zinc/04/63/99/442046399.db2.gz DEAYVXQGBVEIIJ-LSDHHAIUSA-N 0 0 333.432 1.934 10 0 EDAERN O=C(c1ccccc1-n1cnnn1)N1CC[C@H](Oc2cccnc2)C1 ZINC000151518861 442077432 /nfs/dbraw/zinc/07/74/32/442077432.db2.gz NQZIBPOVENFHCR-AWEZNQCLSA-N 0 0 336.355 1.351 10 0 EDAERN COc1cc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)ccc1C ZINC000120474165 442079541 /nfs/dbraw/zinc/07/95/41/442079541.db2.gz CTMVPBHRVFIGQC-CQSZACIVSA-N 0 0 329.404 1.452 10 0 EDAERN COc1cc(C)cc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000162704479 442115746 /nfs/dbraw/zinc/11/57/46/442115746.db2.gz PCPUZCQOKDJBEZ-INIZCTEOSA-N 0 0 333.432 1.620 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)Cc1ccccc1 ZINC000175746380 442115739 /nfs/dbraw/zinc/11/57/39/442115739.db2.gz OIDDCWROHCLUAL-ZDUSSCGKSA-N 0 0 334.416 1.534 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 ZINC000126486508 442116367 /nfs/dbraw/zinc/11/63/67/442116367.db2.gz GBYQGIJKKMZDGU-UHFFFAOYSA-N 0 0 325.372 1.736 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000151770707 442117497 /nfs/dbraw/zinc/11/74/97/442117497.db2.gz PUXPKBIPLOXSOY-CQSZACIVSA-N 0 0 346.435 1.073 10 0 EDAERN C[C@H](CS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000151777464 442118434 /nfs/dbraw/zinc/11/84/34/442118434.db2.gz FNISBUZFSMQOTP-KBMXLJTQSA-N 0 0 336.457 1.863 10 0 EDAERN C[C@H](CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)Oc1ccccc1 ZINC000175784384 442121503 /nfs/dbraw/zinc/12/15/03/442121503.db2.gz ZJFLROKROHHLFY-LZLYRXPVSA-N 0 0 347.459 1.816 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCCN2CCOCC2)C1 ZINC000151854311 442130076 /nfs/dbraw/zinc/13/00/76/442130076.db2.gz KKUQYEUIMGLWQN-MRXNPFEDSA-N 0 0 349.479 1.514 10 0 EDAERN COc1ccc(C(=O)CCC(=O)NC[C@H]2CN(C)CCO2)cc1F ZINC000175907379 442144220 /nfs/dbraw/zinc/14/42/20/442144220.db2.gz GIFJDQBNJKRCQD-ZDUSSCGKSA-N 0 0 338.379 1.244 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccnc1N(C)C ZINC000175667911 442102944 /nfs/dbraw/zinc/10/29/44/442102944.db2.gz LPMZXKQKTOEJGR-CYBMUJFWSA-N 0 0 329.408 1.382 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2)C1 ZINC000120614993 442104842 /nfs/dbraw/zinc/10/48/42/442104842.db2.gz PIPNDOXYEANOHH-OAHLLOKOSA-N 0 0 341.415 1.951 10 0 EDAERN O=C([C@H]1Cc2cc(F)ccc2O1)N1CCCN(c2cccnn2)CC1 ZINC000151690486 442106777 /nfs/dbraw/zinc/10/67/77/442106777.db2.gz MFLAFYMAPSYZST-MRXNPFEDSA-N 0 0 342.374 1.658 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@]3(C)CCCO3)C2=O)n(C)n1 ZINC000176049474 442166483 /nfs/dbraw/zinc/16/64/83/442166483.db2.gz QNVHBAKRUZMGNV-CXAGYDPISA-N 0 0 349.435 1.092 10 0 EDAERN COc1ccccc1C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)C(C)C ZINC000176052148 442167490 /nfs/dbraw/zinc/16/74/90/442167490.db2.gz ZPQHKTATOHTEFM-DLBZAZTESA-N 0 0 349.475 1.892 10 0 EDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@H]1CO ZINC000121028665 442167576 /nfs/dbraw/zinc/16/75/76/442167576.db2.gz AZVFRDKOBNYBOQ-VIFPVBQESA-N 0 0 345.168 1.510 10 0 EDAERN CC(C)Oc1cccnc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000176072215 442171258 /nfs/dbraw/zinc/17/12/58/442171258.db2.gz KYLBYFQTBZMAEK-CABCVRRESA-N 0 0 333.432 1.662 10 0 EDAERN CCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176096468 442175595 /nfs/dbraw/zinc/17/55/95/442175595.db2.gz NKFKTMCBTGFNBR-CYBMUJFWSA-N 0 0 343.387 1.657 10 0 EDAERN C[C@@H](NC(=O)N1CCC(Cn2cccn2)CC1)[C@H](C)N1CCOCC1 ZINC000127185710 442179263 /nfs/dbraw/zinc/17/92/63/442179263.db2.gz WQBVOPWROWBPAC-CVEARBPZSA-N 0 0 349.479 1.414 10 0 EDAERN CN(C)c1c(Cl)cccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121167142 442186389 /nfs/dbraw/zinc/18/63/89/442186389.db2.gz FDQXHNIUFNEHFS-SNVBAGLBSA-N 0 0 325.796 1.328 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000152351741 442201003 /nfs/dbraw/zinc/20/10/03/442201003.db2.gz AZGRUHDIDRGXIW-WFASDCNBSA-N 0 0 343.470 1.919 10 0 EDAERN O=Cc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)[nH]1 ZINC000176270913 442202623 /nfs/dbraw/zinc/20/26/23/442202623.db2.gz ZRQOSUXGLXAWPO-QGZVFWFLSA-N 0 0 327.384 1.319 10 0 EDAERN COc1cccc([C@H](O)C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000163246314 442153349 /nfs/dbraw/zinc/15/33/49/442153349.db2.gz CSXQGZRBEKDCOP-GUYCJALGSA-N 0 0 345.399 1.901 10 0 EDAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000163337368 442159544 /nfs/dbraw/zinc/15/95/44/442159544.db2.gz KEYFLAKSGWOGSI-WDEREUQCSA-N 0 0 325.796 1.649 10 0 EDAERN O=c1cc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)[nH]c2ccnn21 ZINC000121350731 442206307 /nfs/dbraw/zinc/20/63/07/442206307.db2.gz FGXZWXUVFBZGJW-IUODEOHRSA-N 0 0 346.337 1.609 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)cccc1C(C)C ZINC000166896457 442218146 /nfs/dbraw/zinc/21/81/46/442218146.db2.gz KIQYLCNIJXNAKH-AWEZNQCLSA-N 0 0 331.416 1.794 10 0 EDAERN O=C(NCC1([C@H](O)c2ccccc2)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000127675898 442219200 /nfs/dbraw/zinc/21/92/00/442219200.db2.gz MLOPQFJUGIWSSI-GDBMZVCRSA-N 0 0 341.415 1.406 10 0 EDAERN C[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1cccc(Cl)c1 ZINC000176437524 442221790 /nfs/dbraw/zinc/22/17/90/442221790.db2.gz ROIYNGLPKRTIGM-WFASDCNBSA-N 0 0 341.839 1.737 10 0 EDAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000170241081 442229503 /nfs/dbraw/zinc/22/95/03/442229503.db2.gz IGQZAZOGVDXYGU-LBPRGKRZSA-N 0 0 345.834 1.912 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)CN2CCCS2(=O)=O)o1 ZINC000128428856 442265871 /nfs/dbraw/zinc/26/58/71/442265871.db2.gz HWDHKJASVMMPJC-AWEZNQCLSA-N 0 0 340.445 1.931 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NCCS(C)(=O)=O)no1 ZINC000176965016 442278729 /nfs/dbraw/zinc/27/87/29/442278729.db2.gz ZAXDNCDXJSXQRO-JTQLQIEISA-N 0 0 330.410 1.084 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2F)C[C@@H]1N1CCOCC1 ZINC000176995760 442282423 /nfs/dbraw/zinc/28/24/23/442282423.db2.gz IUGYZKHVJRNIQD-AAEUAGOBSA-N 0 0 346.399 1.306 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1N1CCOCC1 ZINC000176997363 442282760 /nfs/dbraw/zinc/28/27/60/442282760.db2.gz CMZHLXXQNFTXMK-AAEUAGOBSA-N 0 0 345.852 1.076 10 0 EDAERN Cc1ccccc1CN1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000170924905 442290149 /nfs/dbraw/zinc/29/01/49/442290149.db2.gz CZYNIJSTVUKBDE-SFHVURJKSA-N 0 0 346.475 1.153 10 0 EDAERN C[C@H]1CCCN(c2cc(N3CCO[C@H](Cn4cccn4)C3)ncn2)C1 ZINC000170999844 442297494 /nfs/dbraw/zinc/29/74/94/442297494.db2.gz IPVUQRUGKDJGME-HOTGVXAUSA-N 0 0 342.447 1.815 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000153752576 442300325 /nfs/dbraw/zinc/30/03/25/442300325.db2.gz XEWUPFVFRQMEJJ-VXGBXAGGSA-N 0 0 346.362 1.327 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000153775461 442301740 /nfs/dbraw/zinc/30/17/40/442301740.db2.gz BEGKQKAJGBDMDB-NWDGAFQWSA-N 0 0 337.424 1.044 10 0 EDAERN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3C[C@@H]3C(=O)OC)c2)n1 ZINC000170758599 442258796 /nfs/dbraw/zinc/25/87/96/442258796.db2.gz WLFRBEOGCYRZRU-KBPBESRZSA-N 0 0 341.367 1.747 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3CSCCS3)CC2)no1 ZINC000177279246 442324505 /nfs/dbraw/zinc/32/45/05/442324505.db2.gz LWNWYKNOWWWEDD-LBPRGKRZSA-N 0 0 342.490 1.261 10 0 EDAERN O=C(NCCN1CCc2sccc2C1)N[C@H]1CCCn2ncnc21 ZINC000177329802 442328999 /nfs/dbraw/zinc/32/89/99/442328999.db2.gz GWMHHQGOTXCICV-ZDUSSCGKSA-N 0 0 346.460 1.532 10 0 EDAERN C[C@](O)(CN1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000171226769 442330773 /nfs/dbraw/zinc/33/07/73/442330773.db2.gz OSMWAGWKBWCLGM-IBGZPJMESA-N 0 0 325.412 1.747 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCc2nnc3n2CCCCC3)cn1 ZINC000171455317 442349905 /nfs/dbraw/zinc/34/99/05/442349905.db2.gz GTVQIPSUVUKKJR-CQSZACIVSA-N 0 0 343.435 1.785 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000177640014 442365326 /nfs/dbraw/zinc/36/53/26/442365326.db2.gz PLSQROSLFZPXTE-ZDUSSCGKSA-N 0 0 341.415 1.527 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(C)ccc1F)CC2 ZINC000177639087 442365587 /nfs/dbraw/zinc/36/55/87/442365587.db2.gz KAEICNSLBLKZSM-NSHDSACASA-N 0 0 345.378 1.358 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000177636804 442365602 /nfs/dbraw/zinc/36/56/02/442365602.db2.gz VUBRQJPFZMUBCO-SNVBAGLBSA-N 0 0 349.341 1.188 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)CC2 ZINC000177643001 442366225 /nfs/dbraw/zinc/36/62/25/442366225.db2.gz PVJKFUYJNDGPRP-SNVBAGLBSA-N 0 0 347.806 1.564 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1ccccc1O ZINC000154966079 442367473 /nfs/dbraw/zinc/36/74/73/442367473.db2.gz MNGPJPNJYXCTJG-ZDUSSCGKSA-N 0 0 330.388 1.714 10 0 EDAERN CNC(=O)Cc1nc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000177660970 442367658 /nfs/dbraw/zinc/36/76/58/442367658.db2.gz YWHVGKPCCUNGOO-JTQLQIEISA-N 0 0 327.450 1.594 10 0 EDAERN O=C(c1cncc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000171664955 442368154 /nfs/dbraw/zinc/36/81/54/442368154.db2.gz YMDJCEZWHVXGTG-GFCCVEGCSA-N 0 0 336.193 1.913 10 0 EDAERN COCCN1CCN(C(=O)CSCc2cscn2)C[C@H]1C ZINC000131649569 442377114 /nfs/dbraw/zinc/37/71/14/442377114.db2.gz MJGFLXYFTNZIID-GFCCVEGCSA-N 0 0 329.491 1.555 10 0 EDAERN O=C(NC1CC1)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171887934 442387302 /nfs/dbraw/zinc/38/73/02/442387302.db2.gz AXMHTCIEWZFIGZ-MRXNPFEDSA-N 0 0 328.416 1.891 10 0 EDAERN COCCOCCS(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000155351278 442390335 /nfs/dbraw/zinc/39/03/35/442390335.db2.gz CIPMLRDTADYMDX-GFCCVEGCSA-N 0 0 334.463 1.663 10 0 EDAERN COCc1csc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000177882701 442392876 /nfs/dbraw/zinc/39/28/76/442392876.db2.gz UAGOEZIRUIBOGR-DGCLKSJQSA-N 0 0 340.449 1.474 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(O)cc1)CC2 ZINC000172040388 442403256 /nfs/dbraw/zinc/40/32/56/442403256.db2.gz UJNXYEMLOKSISF-ZDUSSCGKSA-N 0 0 329.404 1.703 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000155496401 442403336 /nfs/dbraw/zinc/40/33/36/442403336.db2.gz RLFKOYFUJYFHQU-CQSZACIVSA-N 0 0 348.334 1.689 10 0 EDAERN COc1ccc(Br)cc1C(=O)N[C@H](C(N)=O)C(C)C ZINC000154870467 442362104 /nfs/dbraw/zinc/36/21/04/442362104.db2.gz YXPGHOJAMZPVRC-NSHDSACASA-N 0 0 329.194 1.697 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)C[C@H]3CCCO3)CCCC2)no1 ZINC000177608849 442362649 /nfs/dbraw/zinc/36/26/49/442362649.db2.gz LEZNTCBMLSIJIB-LLVKDONJSA-N 0 0 329.422 1.500 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H](C)Oc1cccnc1)CC2 ZINC000172067286 442406125 /nfs/dbraw/zinc/40/61/25/442406125.db2.gz DTUVWKWQJFKJRY-QWHCGFSZSA-N 0 0 329.404 1.695 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000155707846 442421435 /nfs/dbraw/zinc/42/14/35/442421435.db2.gz QEYOBKWPNUPNTK-UKRRQHHQSA-N 0 0 346.431 1.652 10 0 EDAERN COc1ccc(CNC(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000155749646 442424418 /nfs/dbraw/zinc/42/44/18/442424418.db2.gz QOLHWUWYOAIBSR-UHFFFAOYSA-N 0 0 329.404 1.913 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(C)C ZINC000178424249 442432551 /nfs/dbraw/zinc/43/25/51/442432551.db2.gz UVPPQMQDSOKTPJ-GOEBONIOSA-N 0 0 332.448 1.583 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000172267797 442432970 /nfs/dbraw/zinc/43/29/70/442432970.db2.gz AHZNPNAJIXQDAP-SUMWQHHRSA-N 0 0 333.432 1.857 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)C(C)C ZINC000178447576 442434957 /nfs/dbraw/zinc/43/49/57/442434957.db2.gz GZGGZSUAUHNPHD-MRXNPFEDSA-N 0 0 347.463 1.642 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(OC)c(F)c2)C[C@H]1C ZINC000172326799 442444400 /nfs/dbraw/zinc/44/44/00/442444400.db2.gz KDFGIDSCEDECTC-CYBMUJFWSA-N 0 0 339.411 1.696 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)C(C)C ZINC000178589377 442446218 /nfs/dbraw/zinc/44/62/18/442446218.db2.gz FUAVMUDMQFAPBX-LSDHHAIUSA-N 0 0 346.431 1.570 10 0 EDAERN COC(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000134088555 442450280 /nfs/dbraw/zinc/45/02/80/442450280.db2.gz WJEPIQIOMUOYAY-CQSZACIVSA-N 0 0 342.399 1.933 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccc(OC3CCCC3)nc2)C1 ZINC000172412460 442455896 /nfs/dbraw/zinc/45/58/96/442455896.db2.gz QYISAVUIVOWYTB-OAHLLOKOSA-N 0 0 334.420 1.855 10 0 EDAERN Cc1cc(C(=O)CN2CCOC[C@H]2C(N)=O)c(C)n1CCC(C)C ZINC000179737671 442496084 /nfs/dbraw/zinc/49/60/84/442496084.db2.gz PVKBLXBLPNXLQO-INIZCTEOSA-N 0 0 335.448 1.520 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3ccc4nnn(C)c4c3)CCO2)cn1 ZINC000191725421 442499474 /nfs/dbraw/zinc/49/94/74/442499474.db2.gz FSXSSPZMOAFBBC-INIZCTEOSA-N 0 0 340.387 1.398 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCOCc1ccc(Cl)cc1)C(C)C ZINC000178837345 442499954 /nfs/dbraw/zinc/49/99/54/442499954.db2.gz WFPYZJWYIFHRFP-CQSZACIVSA-N 0 0 341.839 1.926 10 0 EDAERN Cc1c(C(=O)N2CCN3CCCC[C@@H]3C2)cnn1C1CCOCC1 ZINC000179772221 442500827 /nfs/dbraw/zinc/50/08/27/442500827.db2.gz BANALHDUSIZJGA-MRXNPFEDSA-N 0 0 332.448 1.853 10 0 EDAERN C[C@H](C(=O)NCC1CCCCC1)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191740440 442502858 /nfs/dbraw/zinc/50/28/58/442502858.db2.gz ZAGJLHFSIGCWKM-CQSZACIVSA-N 0 0 339.480 1.552 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cc(N)nc(Cl)c3)CCO2)cn1 ZINC000191746873 442504419 /nfs/dbraw/zinc/50/44/19/442504419.db2.gz MSZNWFDOCCNRLG-GFCCVEGCSA-N 0 0 335.795 1.747 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)C(C)C ZINC000178726009 442464325 /nfs/dbraw/zinc/46/43/25/442464325.db2.gz FRAPKOISOMTHMU-YWIABWOTSA-N 0 0 337.464 1.300 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000172468286 442469002 /nfs/dbraw/zinc/46/90/02/442469002.db2.gz PESRGZKTWUQTEZ-OAHLLOKOSA-N 0 0 343.435 1.292 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)NC[C@@H](C)COC)CC2)n1 ZINC000172489293 442471775 /nfs/dbraw/zinc/47/17/75/442471775.db2.gz XFQWVTKMVSYUDV-CHWSQXEVSA-N 0 0 339.440 1.303 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(=O)N1CCCCC1)CC2 ZINC000156392727 442475683 /nfs/dbraw/zinc/47/56/83/442475683.db2.gz UIHIQHDUFJWKOQ-CYBMUJFWSA-N 0 0 348.451 1.028 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCNC(=O)N(C)C)C(C)C ZINC000179594084 442479493 /nfs/dbraw/zinc/47/94/93/442479493.db2.gz CXAGRGLRETXQLT-HNNXBMFYSA-N 0 0 348.447 1.137 10 0 EDAERN C[C@H](OCC1CC1)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172532911 442482268 /nfs/dbraw/zinc/48/22/68/442482268.db2.gz RUIUPBMIJVWHIC-ZDUSSCGKSA-N 0 0 348.447 1.796 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cccc(N)c3)CC2)n1 ZINC000178778798 442482780 /nfs/dbraw/zinc/48/27/80/442482780.db2.gz REJIBDNXWKJNBM-LBPRGKRZSA-N 0 0 329.404 1.733 10 0 EDAERN O=C(CCCc1nc(C2CC2)no1)N1CC[C@H](N2CCOCC2)C1 ZINC000172758471 442536216 /nfs/dbraw/zinc/53/62/16/442536216.db2.gz SEPGLVPSMBVWCB-AWEZNQCLSA-N 0 0 334.420 1.203 10 0 EDAERN O=C(CCCOCCc1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172759912 442537101 /nfs/dbraw/zinc/53/71/01/442537101.db2.gz DHTDPOQTOIPCLC-IBGZPJMESA-N 0 0 346.471 1.959 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000172765270 442537647 /nfs/dbraw/zinc/53/76/47/442537647.db2.gz JJTOCPSZMVBZIA-QGZVFWFLSA-N 0 0 345.443 1.373 10 0 EDAERN COCCOc1ccc(CC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000191924454 442541897 /nfs/dbraw/zinc/54/18/97/442541897.db2.gz FCLKJSOEBXAHLP-HNNXBMFYSA-N 0 0 336.432 1.091 10 0 EDAERN O=C(NCc1cc2cc(Br)ccc2[nH]1)[C@H]1CNC(=O)C1 ZINC000186530850 442553963 /nfs/dbraw/zinc/55/39/63/442553963.db2.gz OEZLJJHIONSTPG-SECBINFHSA-N 0 0 336.189 1.683 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2csc(Br)c2)C1 ZINC000134691424 442512278 /nfs/dbraw/zinc/51/22/78/442512278.db2.gz JRZBAKWNTCRDMR-SNVBAGLBSA-N 0 0 333.251 1.961 10 0 EDAERN CS(=O)(=O)CCCCCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000186405382 442527648 /nfs/dbraw/zinc/52/76/48/442527648.db2.gz MZORSDNHNIZCNX-CYBMUJFWSA-N 0 0 342.465 1.065 10 0 EDAERN O=C(c1cccnc1SC(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000172744473 442531745 /nfs/dbraw/zinc/53/17/45/442531745.db2.gz QBOLXSNDZGKRCE-NSHDSACASA-N 0 0 343.399 1.943 10 0 EDAERN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000172753158 442533444 /nfs/dbraw/zinc/53/34/44/442533444.db2.gz RECVKTBPRKQNNI-KBPBESRZSA-N 0 0 349.397 1.194 10 0 EDAERN C[C@H](NC(=O)c1cccc(-n2cccn2)n1)c1nnc2n1CCCC2 ZINC000135257651 442572810 /nfs/dbraw/zinc/57/28/10/442572810.db2.gz SEKNMSOLHXLJDB-LBPRGKRZSA-N 0 0 337.387 1.686 10 0 EDAERN COCCN1C[C@@H](C(=O)N[C@@H](C)COCc2ccccc2)CC1=O ZINC000172956905 442573018 /nfs/dbraw/zinc/57/30/18/442573018.db2.gz CBAIKOCKJKYVAH-HOCLYGCPSA-N 0 0 334.416 1.203 10 0 EDAERN O=C(CCCc1ccccn1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135278272 442575523 /nfs/dbraw/zinc/57/55/23/442575523.db2.gz IBETXSCPSMUWEW-INIZCTEOSA-N 0 0 325.416 1.980 10 0 EDAERN Cc1cc(C)c(OCC(=O)N2CCC([N@H+](C)CC(=O)[O-])CC2)c(C)c1 ZINC000186627885 442577735 /nfs/dbraw/zinc/57/77/35/442577735.db2.gz ZIRMTVQZDHOMQV-UHFFFAOYSA-N 0 0 348.443 1.998 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)OCCO2 ZINC000135306943 442578067 /nfs/dbraw/zinc/57/80/67/442578067.db2.gz GFGNGJLOCMMYHX-AWEZNQCLSA-N 0 0 340.383 1.647 10 0 EDAERN O=C(c1ncc(F)cc1F)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000192068118 442584861 /nfs/dbraw/zinc/58/48/61/442584861.db2.gz IMAOBKNIPAXESM-INIZCTEOSA-N 0 0 347.365 1.851 10 0 EDAERN C[C@@H](NC(=O)c1cccc2c1OCC(=O)N2)c1nnc2n1CCCC2 ZINC000135365828 442587002 /nfs/dbraw/zinc/58/70/02/442587002.db2.gz HACVSLLMBUBBIH-SNVBAGLBSA-N 0 0 341.371 1.436 10 0 EDAERN O=C1OCC[C@@]12CCCN2C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000186669200 442587812 /nfs/dbraw/zinc/58/78/12/442587812.db2.gz KXWSWTTYHPODEN-WBVHZDCISA-N 0 0 339.819 1.999 10 0 EDAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)N(Cc1ccccc1)c1ccccc1 ZINC000179170607 442589048 /nfs/dbraw/zinc/58/90/48/442589048.db2.gz LOQYZZQRXDAHBO-MOPGFXCFSA-N 0 0 340.423 1.647 10 0 EDAERN COC(=O)c1ccc(-c2nnn(Cc3nccn3C(C)C)n2)cc1 ZINC000173036964 442592528 /nfs/dbraw/zinc/59/25/28/442592528.db2.gz XNRDKFGYWIKSPN-UHFFFAOYSA-N 0 0 326.360 1.952 10 0 EDAERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)ccc1Br ZINC000135492792 442602547 /nfs/dbraw/zinc/60/25/47/442602547.db2.gz CPGMHBGFWWOQGT-GFCCVEGCSA-N 0 0 327.222 1.818 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1c(C)cccc1C(C)C)C(C)C ZINC000179078514 442566731 /nfs/dbraw/zinc/56/67/31/442566731.db2.gz PTPHRFPCVKCCQT-CQSZACIVSA-N 0 0 333.432 1.944 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)s2)C12CCOCC2 ZINC000187110784 442653540 /nfs/dbraw/zinc/65/35/40/442653540.db2.gz YCTKPRWWTMIPJK-STQMWFEESA-N 0 0 338.429 1.551 10 0 EDAERN CC[C@@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)N1CCCC1=O ZINC000173154707 442612541 /nfs/dbraw/zinc/61/25/41/442612541.db2.gz YPROQCROZWJGNC-HNNXBMFYSA-N 0 0 345.447 1.305 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCc2nncn2C2CC2)C1 ZINC000173158406 442613239 /nfs/dbraw/zinc/61/32/39/442613239.db2.gz CRGIZNPKZUECDP-RYUDHWBXSA-N 0 0 349.435 1.923 10 0 EDAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187628618 442683469 /nfs/dbraw/zinc/68/34/69/442683469.db2.gz CCVSXTLEKCNROT-YUTCNCBUSA-N 0 0 338.473 1.833 10 0 EDAERN CCc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(=O)[nH]1 ZINC000181197097 442684246 /nfs/dbraw/zinc/68/42/46/442684246.db2.gz YRTOAHHZQHIDBS-LLVKDONJSA-N 0 0 348.424 1.832 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2F)C[C@@H]1C ZINC000181295131 442689368 /nfs/dbraw/zinc/68/93/68/442689368.db2.gz JRKQYEQBJNRIQK-AWEZNQCLSA-N 0 0 344.452 1.865 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cccc4n[nH]nc43)C2)no1 ZINC000187754558 442691121 /nfs/dbraw/zinc/69/11/21/442691121.db2.gz BGUJHESSKIBJNA-NSHDSACASA-N 0 0 326.360 1.744 10 0 EDAERN O=C(NCCNC(=O)c1ccn[nH]1)NC1C2CC3CC(C2)CC1C3 ZINC000181402973 442695024 /nfs/dbraw/zinc/69/50/24/442695024.db2.gz VEVZIAWYLYJDAD-UHFFFAOYSA-N 0 0 331.420 1.263 10 0 EDAERN C[C@H](CN(C)C(=O)[C@H](Cc1ccccc1)NC(N)=O)c1nccs1 ZINC000181428592 442697165 /nfs/dbraw/zinc/69/71/65/442697165.db2.gz YXBDZAKPONWGCA-OCCSQVGLSA-N 0 0 346.456 1.985 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCc1cccc(O)c1)CC2 ZINC000181501099 442700381 /nfs/dbraw/zinc/70/03/81/442700381.db2.gz OAZRSLJSFNDOEY-CYBMUJFWSA-N 0 0 329.404 1.921 10 0 EDAERN COCCN1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@H]1C ZINC000192575210 442664635 /nfs/dbraw/zinc/66/46/35/442664635.db2.gz ODOJXEGQKVSCOK-CQSZACIVSA-N 0 0 344.452 1.252 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1Cl ZINC000192586116 442665925 /nfs/dbraw/zinc/66/59/25/442665925.db2.gz OSQNUVCDOMLNCH-CABZTGNLSA-N 0 0 326.780 1.971 10 0 EDAERN Cc1ccc(CN(CCO)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000180966053 442672341 /nfs/dbraw/zinc/67/23/41/442672341.db2.gz QQTMXGFFLWAOOV-CQSZACIVSA-N 0 0 330.384 1.727 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000188230954 442727052 /nfs/dbraw/zinc/72/70/52/442727052.db2.gz DWXBDHHWLCHDPN-ZDUSSCGKSA-N 0 0 345.443 1.783 10 0 EDAERN O=C(NC1CN(C(=O)c2cccnc2OCC(F)F)C1)C1CCC1 ZINC000188495312 442756445 /nfs/dbraw/zinc/75/64/45/442756445.db2.gz VVHHMSDBMWJPKH-UHFFFAOYSA-N 0 0 339.342 1.466 10 0 EDAERN Cc1ccc(C[C@H](CO)NC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000188253004 442729777 /nfs/dbraw/zinc/72/97/77/442729777.db2.gz GTUYCUMRJRUBRU-CABCVRRESA-N 0 0 329.404 1.324 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cc(C)cc(OC)c2)CC1 ZINC000182033760 442729891 /nfs/dbraw/zinc/72/98/91/442729891.db2.gz ISSLKEQGALGWBL-MRXNPFEDSA-N 0 0 335.448 1.602 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000193320830 442732807 /nfs/dbraw/zinc/73/28/07/442732807.db2.gz QGTIIPKMCIOHKV-QZTJIDSGSA-N 0 0 345.443 1.843 10 0 EDAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)n1 ZINC000188371217 442744260 /nfs/dbraw/zinc/74/42/60/442744260.db2.gz PYTFUAFQZPSCHY-ZYHUDNBSSA-N 0 0 334.376 1.808 10 0 EDAERN COC(=O)[C@H](C)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246625889 442798098 /nfs/dbraw/zinc/79/80/98/442798098.db2.gz UROIEIPAXVUSQW-INWMFGNUSA-N 0 0 332.400 1.521 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000193867600 442802726 /nfs/dbraw/zinc/80/27/26/442802726.db2.gz BQCSPUJNKAIMHI-VXGBXAGGSA-N 0 0 335.370 1.340 10 0 EDAERN COCCN1CCN(C(=O)c2ccoc2Br)C[C@H]1C ZINC000193594776 442757653 /nfs/dbraw/zinc/75/76/53/442757653.db2.gz BNKPXXKFRRKMGA-SNVBAGLBSA-N 0 0 331.210 1.835 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnn(C2CCCC2)c1C)C(C)C ZINC000193599685 442757996 /nfs/dbraw/zinc/75/79/96/442757996.db2.gz QWEFDZQQCSGEKD-CQSZACIVSA-N 0 0 349.435 1.132 10 0 EDAERN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188514071 442759198 /nfs/dbraw/zinc/75/91/98/442759198.db2.gz XODXOCXARGJJQF-ZDUSSCGKSA-N 0 0 349.475 1.589 10 0 EDAERN O=C(NC1CN(C(=O)c2cncn2-c2ccc(F)cc2)C1)C1CCC1 ZINC000188517645 442759559 /nfs/dbraw/zinc/75/95/59/442759559.db2.gz KWMMTOABIMJAFA-UHFFFAOYSA-N 0 0 342.374 1.752 10 0 EDAERN CC[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000182387327 442762523 /nfs/dbraw/zinc/76/25/23/442762523.db2.gz ZBGBCOZRYMWQHJ-ABAIWWIYSA-N 0 0 347.440 1.570 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)CO[C@H]1CCOC1)C(C)C ZINC000246305668 442771021 /nfs/dbraw/zinc/77/10/21/442771021.db2.gz BMDGZTSYMDOAGG-DZKIICNBSA-N 0 0 328.453 1.484 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000193737936 442776909 /nfs/dbraw/zinc/77/69/09/442776909.db2.gz QSLSFLRIYABKRD-HDMKZQKVSA-N 0 0 344.455 1.940 10 0 EDAERN C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCS1 ZINC000182511997 442779132 /nfs/dbraw/zinc/77/91/32/442779132.db2.gz ANKDRJVBTNFIKE-JSGCOSHPSA-N 0 0 334.445 1.724 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000188660929 442782683 /nfs/dbraw/zinc/78/26/83/442782683.db2.gz OAOVMFSUUWJDJZ-UKRRQHHQSA-N 0 0 345.424 1.654 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn2ccnc2s1 ZINC000188667071 442783960 /nfs/dbraw/zinc/78/39/60/442783960.db2.gz HPCNVTPKCTVTEK-VIFPVBQESA-N 0 0 332.389 1.399 10 0 EDAERN COCCOCc1cc(C(=O)N2CCCNC(=O)[C@H]2C)ccc1F ZINC000188871036 442832617 /nfs/dbraw/zinc/83/26/17/442832617.db2.gz ACBRNXANPQPGRV-GFCCVEGCSA-N 0 0 338.379 1.339 10 0 EDAERN Cc1nccn1C[C@H](C)CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188833055 442823256 /nfs/dbraw/zinc/82/32/56/442823256.db2.gz VBAHKPVYZBMLQD-GFCCVEGCSA-N 0 0 333.436 1.138 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C)C(C)C ZINC000188832909 442823565 /nfs/dbraw/zinc/82/35/65/442823565.db2.gz CQYZYFRLFKMYQK-NWDGAFQWSA-N 0 0 337.424 1.685 10 0 EDAERN C[C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@H]1N1CCOCC1 ZINC000193978829 442823900 /nfs/dbraw/zinc/82/39/00/442823900.db2.gz YOZUZPKWGJUBAX-DGCLKSJQSA-N 0 0 332.429 1.484 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1)C1CCC1 ZINC000188908116 442840226 /nfs/dbraw/zinc/84/02/26/442840226.db2.gz ZIHPHWXZHHCCKK-KFWWJZLASA-N 0 0 333.432 1.254 10 0 EDAERN CCOCCN1CCN([C@@H](C(=O)N(C)C)c2ccccc2)C[C@H]1C ZINC000247817246 442869936 /nfs/dbraw/zinc/86/99/36/442869936.db2.gz WLJAZPRKVMQADO-SJLPKXTDSA-N 0 0 333.476 1.859 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000189066479 442870238 /nfs/dbraw/zinc/87/02/38/442870238.db2.gz LKGKRAIVWKBUEP-TZMCWYRMSA-N 0 0 326.360 1.126 10 0 EDAERN CCN(C(=O)CN1CCC[C@@H]2CCCC[C@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000248272957 442886887 /nfs/dbraw/zinc/88/68/87/442886887.db2.gz WXVYENHUPOOMPO-HRCADAONSA-N 0 0 342.505 1.677 10 0 EDAERN Cc1nnc(-c2ccccc2C(=O)N2CC(NC(=O)C3CCC3)C2)o1 ZINC000189229258 442901323 /nfs/dbraw/zinc/90/13/23/442901323.db2.gz MMBRIQZNZQXELK-UHFFFAOYSA-N 0 0 340.383 1.786 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC000248484972 442896325 /nfs/dbraw/zinc/89/63/25/442896325.db2.gz KHYXOOZSKLCKNR-ULQDDVLXSA-N 0 0 341.496 1.536 10 0 EDAERN CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CC(NC(=O)COC)C1 ZINC000189200432 442896592 /nfs/dbraw/zinc/89/65/92/442896592.db2.gz LFGRVSWEAUHKAR-ATWMFIQVSA-N 0 0 346.427 1.851 10 0 EDAERN C[C@@H](C(=O)N(C)C)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247441525 442853829 /nfs/dbraw/zinc/85/38/29/442853829.db2.gz ZYXNJKLBUVGOSN-UONOGXRCSA-N 0 0 325.478 1.530 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C(N)=O)[nH]n2)cc1C ZINC000188987251 442855190 /nfs/dbraw/zinc/85/51/90/442855190.db2.gz XQHWMYIFEIOCAN-HNNXBMFYSA-N 0 0 328.372 1.020 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000189422446 442948737 /nfs/dbraw/zinc/94/87/37/442948737.db2.gz FKVMLUPVVIMGNK-CQSZACIVSA-N 0 0 345.378 1.813 10 0 EDAERN Cc1ccn(CC(=O)N2CCC(N(C)c3cccnn3)CC2)c(=O)c1 ZINC000194605094 442921404 /nfs/dbraw/zinc/92/14/04/442921404.db2.gz DEUMTSBPVSHOAS-UHFFFAOYSA-N 0 0 341.415 1.074 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCCC(=O)Nc1ccncc1)C(C)C ZINC000194634316 442928040 /nfs/dbraw/zinc/92/80/40/442928040.db2.gz UPXLEQIVHQLMBR-KRWDZBQOSA-N 0 0 348.447 1.713 10 0 EDAERN COc1ccc(C(=O)CCCC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189373281 442932222 /nfs/dbraw/zinc/93/22/22/442932222.db2.gz YBPXMMGYZHTNHI-UHFFFAOYSA-N 0 0 344.411 1.785 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000194764093 442950398 /nfs/dbraw/zinc/95/03/98/442950398.db2.gz WYUUOICYDTULKV-NSHDSACASA-N 0 0 341.333 1.490 10 0 EDAERN O=C(Cc1cccc(OC(F)(F)F)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189384361 442936771 /nfs/dbraw/zinc/93/67/71/442936771.db2.gz XQHLISYIQYGLHK-UHFFFAOYSA-N 0 0 342.317 1.865 10 0 EDAERN Cc1cccnc1C(F)(F)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000194697729 442938244 /nfs/dbraw/zinc/93/82/44/442938244.db2.gz UFMVZDYMFWCQMN-ZIAGYGMSSA-N 0 0 339.386 1.661 10 0 EDAERN O=C(NC1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1)C1CC1 ZINC000189449673 442957037 /nfs/dbraw/zinc/95/70/37/442957037.db2.gz UWERNYPTUHVHII-UHFFFAOYSA-N 0 0 344.802 1.876 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000184184067 442999386 /nfs/dbraw/zinc/99/93/86/442999386.db2.gz IHGAGADQNZXANO-VIFPVBQESA-N 0 0 334.763 1.955 10 0 EDAERN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CNC(=O)C1 ZINC000194765861 442951074 /nfs/dbraw/zinc/95/10/74/442951074.db2.gz OPNCACOOHMPWMG-SECBINFHSA-N 0 0 346.305 1.805 10 0 EDAERN O[C@H](COC[C@H]1CCCO1)CN1CCO[C@@H](c2nccs2)C1 ZINC000249907682 443008088 /nfs/dbraw/zinc/00/80/88/443008088.db2.gz VGLRZTKXCHYYLZ-BFHYXJOUSA-N 0 0 328.434 1.073 10 0 EDAERN Cc1csc([C@H]2CN(C[C@H](O)COCc3ccco3)CCO2)n1 ZINC000195404456 443016244 /nfs/dbraw/zinc/01/62/44/443016244.db2.gz PMBWUNNLYINIOE-DZGCQCFKSA-N 0 0 338.429 1.996 10 0 EDAERN O=C(CCc1cccc2c1OCO2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000184482229 443027330 /nfs/dbraw/zinc/02/73/30/443027330.db2.gz FPQQFPCZSIAVBW-OAHLLOKOSA-N 0 0 343.383 1.472 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@@H](C)c3cnccn3)CC2)n1 ZINC000184525808 443035052 /nfs/dbraw/zinc/03/50/52/443035052.db2.gz PCTKMJZWXCCRCJ-AWEZNQCLSA-N 0 0 328.420 1.857 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1ccccc1-n1ccnc1 ZINC000184527470 443035290 /nfs/dbraw/zinc/03/52/90/443035290.db2.gz LVSZOXAPPXIELD-SFHVURJKSA-N 0 0 342.443 1.989 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)C1 ZINC000189951629 443036136 /nfs/dbraw/zinc/03/61/36/443036136.db2.gz FGDDIQKHUJGMBA-UHFFFAOYSA-N 0 0 344.415 1.233 10 0 EDAERN COc1ccc(C(=O)NC[C@H](C)N2CCOCC2)c(OC(F)F)c1 ZINC000189994297 443044391 /nfs/dbraw/zinc/04/43/91/443044391.db2.gz RJHSDEHGASSAOU-NSHDSACASA-N 0 0 344.358 1.747 10 0 EDAERN CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000249710043 443000894 /nfs/dbraw/zinc/00/08/94/443000894.db2.gz UIYMEIROLCJSQD-HIFRSBDPSA-N 0 0 333.363 1.058 10 0 EDAERN Cc1ccc(CCNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)o1 ZINC000223242130 443087191 /nfs/dbraw/zinc/08/71/91/443087191.db2.gz UDXWFJOPPRMZIF-QZTJIDSGSA-N 0 0 342.395 1.845 10 0 EDAERN O=C(/C=C\c1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000255161953 443088187 /nfs/dbraw/zinc/08/81/87/443088187.db2.gz XQWACTHMWVWREK-QWUACUGRSA-N 0 0 337.423 1.973 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000190240851 443076112 /nfs/dbraw/zinc/07/61/12/443076112.db2.gz IRXLOXZEBGFRDG-LLVKDONJSA-N 0 0 343.387 1.251 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cccc(OC)c2)CC1 ZINC000184808730 443079167 /nfs/dbraw/zinc/07/91/67/443079167.db2.gz CWKITVCFCRCSGE-MRXNPFEDSA-N 0 0 335.448 1.336 10 0 EDAERN CCN(C(=O)CN1CCOC[C@@H]1c1nc(C)no1)c1ccccc1 ZINC000185080399 443132048 /nfs/dbraw/zinc/13/20/48/443132048.db2.gz PTKOFOSNWXBRKN-OAHLLOKOSA-N 0 0 330.388 1.804 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)C1=Cc2ccccc2OCC1 ZINC000185103749 443137929 /nfs/dbraw/zinc/13/79/29/443137929.db2.gz RXLWFWVQIVNTCH-CQSZACIVSA-N 0 0 346.412 1.856 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)s1 ZINC000190566200 443138329 /nfs/dbraw/zinc/13/83/29/443138329.db2.gz JKUMWQMZNHKXEC-JTQLQIEISA-N 0 0 334.405 1.099 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)c2cccnc2)[C@@H]1c1ccccc1 ZINC000225475155 443105788 /nfs/dbraw/zinc/10/57/88/443105788.db2.gz ZNZHWGQRVZTJMR-IRXDYDNUSA-N 0 0 347.440 1.432 10 0 EDAERN O=C(Nc1ccc(OC2COC2)cc1)N[C@H]1CCc2ncnn2C1 ZINC000190430481 443107501 /nfs/dbraw/zinc/10/75/01/443107501.db2.gz JDIZFMFBBCOJGM-LBPRGKRZSA-N 0 0 329.360 1.192 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc3cccnc32)CC1 ZINC000184978060 443110055 /nfs/dbraw/zinc/11/00/55/443110055.db2.gz OUFPGDLVMKGHBF-QGZVFWFLSA-N 0 0 342.443 1.833 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000255892848 443112982 /nfs/dbraw/zinc/11/29/82/443112982.db2.gz ODSBSAWGFYMQHA-XZVRFQMRSA-N 0 0 344.411 1.734 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC(NC(C)=O)C1 ZINC000190498089 443121489 /nfs/dbraw/zinc/12/14/89/443121489.db2.gz JXIVSXQZSVKRRA-WBMJQRKESA-N 0 0 331.416 1.178 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)c3snnc3C)CC2)n1 ZINC000190514402 443124842 /nfs/dbraw/zinc/12/48/42/443124842.db2.gz NCZJYHUUQWKPDN-UHFFFAOYSA-N 0 0 348.432 1.306 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCO[C@H]4CCCC[C@H]43)cc2o1 ZINC000228711331 443125137 /nfs/dbraw/zinc/12/51/37/443125137.db2.gz RNJQOXVTVBFINL-OLZOCXBDSA-N 0 0 338.385 1.453 10 0 EDAERN COCCC(C)(C)CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000185148603 443147825 /nfs/dbraw/zinc/14/78/25/443147825.db2.gz SZDSFRAMQSOQKY-GJZGRUSLSA-N 0 0 327.469 1.411 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)s1 ZINC000190529572 443129217 /nfs/dbraw/zinc/12/92/17/443129217.db2.gz GHHLCROGPQKIGJ-UHFFFAOYSA-N 0 0 347.444 1.784 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)s1 ZINC000190530369 443129348 /nfs/dbraw/zinc/12/93/48/443129348.db2.gz HJGPUFLOCUCXNV-UHFFFAOYSA-N 0 0 347.444 1.779 10 0 EDAERN CCn1cc([C@@H]2CN(Cc3cc(-c4cnn(C)c4)no3)CCO2)cn1 ZINC000190757854 443178111 /nfs/dbraw/zinc/17/81/11/443178111.db2.gz CJSYRQCSQCHHHH-KRWDZBQOSA-N 0 0 342.403 1.865 10 0 EDAERN COc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1F ZINC000190768747 443180590 /nfs/dbraw/zinc/18/05/90/443180590.db2.gz ZKVXZSFFLLXNKY-CYBMUJFWSA-N 0 0 346.362 1.661 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)NCC3CCCCC3)CCO2)cn1 ZINC000190776384 443181766 /nfs/dbraw/zinc/18/17/66/443181766.db2.gz SIEMZIRXXIUBHI-QGZVFWFLSA-N 0 0 334.464 1.973 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)Nc3ccc(OC)cc3)CCO2)cn1 ZINC000190804059 443186067 /nfs/dbraw/zinc/18/60/67/443186067.db2.gz OLLGVJJUIBJZEE-QGZVFWFLSA-N 0 0 344.415 1.924 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cc(COc3ccccc3F)on2)C1 ZINC000185343749 443186456 /nfs/dbraw/zinc/18/64/56/443186456.db2.gz WCEOQNIOPVWYGV-CYBMUJFWSA-N 0 0 349.362 1.453 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnnn1CC(F)(F)F ZINC000190819219 443188896 /nfs/dbraw/zinc/18/88/96/443188896.db2.gz PELDKZSWUQYFSK-DCAQKATOSA-N 0 0 347.341 1.542 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cnc(Cc3ccccc3F)s2)C1 ZINC000185198553 443159120 /nfs/dbraw/zinc/15/91/20/443159120.db2.gz YFWXLPJWSLOSKX-ZDUSSCGKSA-N 0 0 349.431 1.933 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2c(F)cccc2Cl)C1 ZINC000185588878 443223376 /nfs/dbraw/zinc/22/33/76/443223376.db2.gz ZKPWRBHHLSXFFD-SECBINFHSA-N 0 0 343.786 1.697 10 0 EDAERN CSCC[C@@H](NC(=O)[C@H]1CN(C)CCO1)c1nc2ccccc2[nH]1 ZINC000245455249 443229194 /nfs/dbraw/zinc/22/91/94/443229194.db2.gz HZMRGDHMMZRPEJ-HUUCEWRRSA-N 0 0 348.472 1.804 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)CC[N@@H+]1CCOC ZINC000245456491 443229493 /nfs/dbraw/zinc/22/94/93/443229493.db2.gz IXXJGMWWVVAXNC-BZUAXINKSA-N 0 0 340.464 1.535 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCC2(CO)CCCC2)C12CCOCC2 ZINC000185668469 443235685 /nfs/dbraw/zinc/23/56/85/443235685.db2.gz CQOHMJRUUYOKAN-LSDHHAIUSA-N 0 0 340.464 1.813 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000191368609 443285148 /nfs/dbraw/zinc/28/51/48/443285148.db2.gz ZSFBVTJTJMFYLT-LLVKDONJSA-N 0 0 338.477 1.903 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000191482190 443300501 /nfs/dbraw/zinc/30/05/01/443300501.db2.gz WHBWRESYBMRSEH-QGZVFWFLSA-N 0 0 333.407 1.527 10 0 EDAERN Nc1ccc(N[C@@H]2CCCN(C(=O)CCn3cccn3)CC2)cn1 ZINC000328639881 444408297 /nfs/dbraw/zinc/40/82/97/444408297.db2.gz PTLBXEQBFPHTDI-CQSZACIVSA-N 0 0 328.420 1.744 10 0 EDAERN Cc1ncccc1O[C@H]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000328640161 444408660 /nfs/dbraw/zinc/40/86/60/444408660.db2.gz XFTQUJXOPQITJM-GJZGRUSLSA-N 0 0 340.445 1.742 10 0 EDAERN CNC(=O)[C@H](Nc1ncc(I)cn1)C(C)C ZINC000381781793 447460703 /nfs/dbraw/zinc/46/07/03/447460703.db2.gz YAVULKXMDHDGTE-MRVPVSSYSA-N 0 0 334.161 1.264 10 0 EDAERN C[C@H]1CN(c2cc(NC3CC3)ncn2)CCN1C(=O)c1cnn(C)c1 ZINC000575603608 447865803 /nfs/dbraw/zinc/86/58/03/447865803.db2.gz KMKLGKVOGYREJM-LBPRGKRZSA-N 0 0 341.419 1.135 10 0 EDAERN CSc1cc(C)cc(S(N)(=O)=O)c1I ZINC000575710059 447882845 /nfs/dbraw/zinc/88/28/45/447882845.db2.gz UKSKGRPQEHULIB-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN COc1ccc(/C=C\C(=O)N2CCC[C@@H](n3cncn3)C2)cc1O ZINC000492487216 448224138 /nfs/dbraw/zinc/22/41/38/448224138.db2.gz HPHQNAJNZTZUFZ-BRLPQQTGSA-N 0 0 328.372 1.869 10 0 EDAERN O=C(NCC(C1CCC1)C1CCC1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000528101405 448432904 /nfs/dbraw/zinc/43/29/04/448432904.db2.gz CNZOGKDLGQJDQR-KRWDZBQOSA-N 0 0 333.436 1.624 10 0 EDAERN Cc1nnc([C@@H]2COCCN2C(=O)c2n[nH]c3ccc(C)cc32)o1 ZINC000583621727 448451584 /nfs/dbraw/zinc/45/15/84/448451584.db2.gz CJQDZHCMJILRET-ZDUSSCGKSA-N 0 0 327.344 1.776 10 0 EDAERN C/C(=C/c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1)C(C)(C)C ZINC000583622844 448453212 /nfs/dbraw/zinc/45/32/12/448453212.db2.gz VZAVLXBNTSDBQY-HIJJYWJESA-N 0 0 329.422 1.852 10 0 EDAERN Cn1cnnc1[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000583623926 448454188 /nfs/dbraw/zinc/45/41/88/448454188.db2.gz ONDINQRRHGMCLV-ILXRZTDVSA-N 0 0 327.388 1.454 10 0 EDAERN CCCCOCCOC[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627936 448586266 /nfs/dbraw/zinc/58/62/66/448586266.db2.gz UYFOLFLTKXHHCM-INIZCTEOSA-N 0 0 341.448 1.858 10 0 EDAERN CCN1CCO[C@@H](CNc2ccc(I)cn2)C1 ZINC000590689674 449247544 /nfs/dbraw/zinc/24/75/44/449247544.db2.gz GFAQSOMBJLSLJZ-NSHDSACASA-N 0 0 347.200 1.819 10 0 EDAERN CN(C)c1cccc(CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)n1 ZINC000612994750 449975771 /nfs/dbraw/zinc/97/57/71/449975771.db2.gz VHOVKMDNFBHJKD-GDBMZVCRSA-N 0 0 343.431 1.665 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1[NH2+]CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000616571443 450453211 /nfs/dbraw/zinc/45/32/11/450453211.db2.gz XLRSHSZPPPCTNS-BDAKNGLRSA-N 0 0 325.331 1.310 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@H]1c1cccc(CO)c1 ZINC000616642368 450456819 /nfs/dbraw/zinc/45/68/19/450456819.db2.gz IQBWBKIHFUYUJN-KRWDZBQOSA-N 0 0 333.409 1.941 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616682260 450459840 /nfs/dbraw/zinc/45/98/40/450459840.db2.gz AEYPTBGKFNTMDC-JTQLQIEISA-N 0 0 342.421 1.015 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(S(N)(=O)=O)C1 ZINC000616689662 450460570 /nfs/dbraw/zinc/46/05/70/450460570.db2.gz IVPPGBUFVPBHPJ-LLVKDONJSA-N 0 0 341.433 1.394 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2ccc3nnccc3c2)Nc2ccccc21 ZINC000616691618 450461349 /nfs/dbraw/zinc/46/13/49/450461349.db2.gz OKCPDLIPJZRYSV-OAHLLOKOSA-N 0 0 341.396 1.807 10 0 EDAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2cn[nH]c2)CCC(=O)N1C1CC1 ZINC000621001720 450571528 /nfs/dbraw/zinc/57/15/28/450571528.db2.gz XPOFYCIFLRXONM-ABAIWWIYSA-N 0 0 342.403 1.015 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1cccc(Br)c1F ZINC000633921581 451100984 /nfs/dbraw/zinc/10/09/84/451100984.db2.gz UZZPMFNCMMVTOM-SNVBAGLBSA-N 0 0 345.212 1.991 10 0 EDAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(Cl)c(Br)c1 ZINC000629241149 451613953 /nfs/dbraw/zinc/61/39/53/451613953.db2.gz FQPYICVBOIEAFB-MNOVXSKESA-N 0 0 334.597 1.982 10 0 EDAERN CN(C)c1n[nH]c(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC000637787426 452079414 /nfs/dbraw/zinc/07/94/14/452079414.db2.gz MEYXFWRIRRALAR-XQQFMLRXSA-N 0 0 336.440 1.096 10 0 EDAERN CN(Cc1cccc(O)c1Br)C[C@H]1CN(C)CCO1 ZINC000656436757 453178683 /nfs/dbraw/zinc/17/86/83/453178683.db2.gz XSUPNIKMYOFSEF-GFCCVEGCSA-N 0 0 329.238 1.917 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1c[nH]nc1-c1ccccc1 ZINC000644403211 453413081 /nfs/dbraw/zinc/41/30/81/453413081.db2.gz LWGRKJOQHTZSEX-CQSZACIVSA-N 0 0 328.372 1.389 10 0 EDAERN C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O ZINC000075241220 486842965 /nfs/dbraw/zinc/84/29/65/486842965.db2.gz HRNPABYNQCMGGT-LBPRGKRZSA-N 0 0 338.363 1.736 10 0 EDAERN CN1C[C@H](CNS(=O)(=O)c2cccc(Br)c2)CC1=O ZINC000681821533 487183534 /nfs/dbraw/zinc/18/35/34/487183534.db2.gz GGOPENRUPYTNDH-VIFPVBQESA-N 0 0 347.234 1.206 10 0 EDAERN C[C@@H](CO)[C@H](C)NC(=O)C1CCC(C(=O)N[C@@H](C)[C@H](C)CO)CC1 ZINC000132117720 491215485 /nfs/dbraw/zinc/21/54/85/491215485.db2.gz KTGZPZWLTGMFNE-NSXQWPTKSA-N 0 0 342.480 1.059 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000119010533 490995151 /nfs/dbraw/zinc/99/51/51/490995151.db2.gz ILVUVCFVCIMUGC-KGLIPLIRSA-N 0 0 332.466 1.266 10 0 EDAERN O=S(=O)(CC[C@@H]1CCCO1)N1CCO[C@@H](c2nccs2)C1 ZINC000120221870 490997201 /nfs/dbraw/zinc/99/72/01/490997201.db2.gz IEGLRZMIBHKWPV-NWDGAFQWSA-N 0 0 332.447 1.415 10 0 EDAERN CC(C)(CNC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccncc1 ZINC000130321930 491005108 /nfs/dbraw/zinc/00/51/08/491005108.db2.gz FJXIEXNXSGZVLG-MRXNPFEDSA-N 0 0 343.431 1.666 10 0 EDAERN COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000074863443 491015337 /nfs/dbraw/zinc/01/53/37/491015337.db2.gz ZXLYYDATSZEFGW-SECBINFHSA-N 0 0 332.809 1.105 10 0 EDAERN COc1cc(C)c(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)c(C)c1 ZINC000074863412 491015356 /nfs/dbraw/zinc/01/53/56/491015356.db2.gz MYYJCOVOGYAJQE-LBPRGKRZSA-N 0 0 326.418 1.069 10 0 EDAERN CSc1nc(C(=O)N2CC(NC(=O)C3CC3)C2)c2ccccn21 ZINC000189502306 500876714 /nfs/dbraw/zinc/87/67/14/500876714.db2.gz TVXXMEXQCUYIJJ-UHFFFAOYSA-N 0 0 330.413 1.407 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C1CCCC1 ZINC000187502834 533791489 /nfs/dbraw/zinc/79/14/89/533791489.db2.gz WTTTXGGXTSCTND-NSHDSACASA-N 0 0 335.429 1.515 10 0 EDAERN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H](C)[C@H]2CCCO2)n1 ZINC000190410178 534131185 /nfs/dbraw/zinc/13/11/85/534131185.db2.gz XAAKTDHYBNXGJG-QWHCGFSZSA-N 0 0 330.392 1.968 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000237437888 518177469 /nfs/dbraw/zinc/17/74/69/518177469.db2.gz LVZRLRDVJXDMHE-ZDUSSCGKSA-N 0 0 340.445 1.785 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@@H](C)C2 ZINC000183169421 534441229 /nfs/dbraw/zinc/44/12/29/534441229.db2.gz UGTVUHQFMAALOE-YVEFUNNKSA-N 0 0 329.400 1.315 10 0 EDAERN Cc1csc([C@@H](C)CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)n1 ZINC000184694966 534827612 /nfs/dbraw/zinc/82/76/12/534827612.db2.gz UCOPGBULPBJASF-SMDDNHRTSA-N 0 0 346.456 1.951 10 0 EDAERN C/C=C/C[C@H](CO)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185463369 526285044 /nfs/dbraw/zinc/28/50/44/526285044.db2.gz USEUJNSPIXQRKH-BSWNYTGASA-N 0 0 340.445 1.777 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000183112268 526838298 /nfs/dbraw/zinc/83/82/98/526838298.db2.gz MZRDMCRHXBIUHP-INIZCTEOSA-N 0 0 347.463 1.375 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000174681013 526846807 /nfs/dbraw/zinc/84/68/07/526846807.db2.gz NCFKHKITLKJOAP-OAHLLOKOSA-N 0 0 346.431 1.714 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C ZINC000173960563 527164211 /nfs/dbraw/zinc/16/42/11/527164211.db2.gz HNESDLIGCGRIIF-NHYWBVRUSA-N 0 0 333.432 1.627 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1C ZINC000131968112 527293755 /nfs/dbraw/zinc/29/37/55/527293755.db2.gz PPRMPVNIIKSHIE-CZUORRHYSA-N 0 0 332.400 1.803 10 0 EDAERN CCN1CCO[C@@H](c2nsc(I)n2)C1 ZINC000166108193 527732380 /nfs/dbraw/zinc/73/23/80/527732380.db2.gz HJFBVQPEYVRITN-ZCFIWIBFSA-N 0 0 325.175 1.536 10 0 EDAERN CC(C)[C@H]1C(=O)N[C@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168877114 527758366 /nfs/dbraw/zinc/75/83/66/527758366.db2.gz RLAUBFBSCZDHOY-SKDRFNHKSA-N 0 0 340.221 1.716 10 0 EDAERN CC(C)[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1cccnc1 ZINC000187477560 528451660 /nfs/dbraw/zinc/45/16/60/528451660.db2.gz FSJZPRVGMHLHOW-MRXNPFEDSA-N 0 0 330.432 1.741 10 0 EDAERN CC(C)n1nnnc1CSCCNS(=O)(=O)c1ccccc1 ZINC000176916268 528701818 /nfs/dbraw/zinc/70/18/18/528701818.db2.gz CWAIXDVNOFUAFH-UHFFFAOYSA-N 0 0 341.462 1.466 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccccc1C ZINC000173813580 528899447 /nfs/dbraw/zinc/89/94/47/528899447.db2.gz ZQRYDMKSUVDRAO-ZBFHGGJFSA-N 0 0 346.427 1.974 10 0 EDAERN CC[C@H](C)NC(=O)CS(=O)(=O)c1cc(Br)ccc1N ZINC000167155409 529159944 /nfs/dbraw/zinc/15/99/44/529159944.db2.gz AOHBQDPEIWZVNK-QMMMGPOBSA-N 0 0 349.250 1.720 10 0 EDAERN CCCCS(=O)(=O)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000041370693 535334709 /nfs/dbraw/zinc/33/47/09/535334709.db2.gz ZTONJBFYJMIXDZ-UHFFFAOYSA-N 0 0 339.417 1.373 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3nc(CC)nn3C2)C12CCC2 ZINC000246198886 535484822 /nfs/dbraw/zinc/48/48/22/535484822.db2.gz MWBMXVKHLYMMJF-MELADBBJSA-N 0 0 347.463 1.802 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@H]2CCCCO2)C[C@H]1C ZINC000246938950 535599067 /nfs/dbraw/zinc/59/90/67/535599067.db2.gz CCRGRTDEXIJUEV-IXDOHACOSA-N 0 0 342.480 1.530 10 0 EDAERN CCOCCN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000247137691 535604913 /nfs/dbraw/zinc/60/49/13/535604913.db2.gz KUZAVJUYFKQSPQ-GVDBMIGSSA-N 0 0 325.497 1.724 10 0 EDAERN COCCCNC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000247839160 536562948 /nfs/dbraw/zinc/56/29/48/536562948.db2.gz KHKUJOYUYNPOEL-CQSZACIVSA-N 0 0 326.462 1.882 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@H](C)[C@@H](O)C2)cn1 ZINC000333105311 536945769 /nfs/dbraw/zinc/94/57/69/536945769.db2.gz DJXGAGHUJSZWLK-ATVPRXPUSA-N 0 0 335.404 1.333 10 0 EDAERN CCc1n[nH]c(=O)c(CNS(=O)(=O)C=Cc2ccccc2)c1CC ZINC000127636651 590893537 /nfs/dbraw/zinc/89/35/37/590893537.db2.gz ILQQOKGARQEMAY-ZHACJKMWSA-N 0 0 347.440 1.985 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000888077753 590934010 /nfs/dbraw/zinc/93/40/10/590934010.db2.gz SGMOJFJXRXGGFK-UKRRQHHQSA-N 0 0 338.371 1.593 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000888077776 590934060 /nfs/dbraw/zinc/93/40/60/590934060.db2.gz ULVCVODPILADHC-VXGBXAGGSA-N 0 0 339.421 1.338 10 0 EDAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Cc2ccccc2CO)cn1 ZINC000888095061 591025586 /nfs/dbraw/zinc/02/55/86/591025586.db2.gz MPWGUICNXAHGNV-DLBZAZTESA-N 0 0 329.400 1.571 10 0 EDAERN CC(C)(C)N1C[C@@H](C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899075086 591673362 /nfs/dbraw/zinc/67/33/62/591673362.db2.gz UQMYONRPISBPFJ-UONOGXRCSA-N 0 0 345.447 1.576 10 0 EDAERN C[C@H](CC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1)c1cnn(C)c1 ZINC000899089263 591681054 /nfs/dbraw/zinc/68/10/54/591681054.db2.gz NNWOYVOBWSEBFD-IUODEOHRSA-N 0 0 328.420 1.856 10 0 EDAERN Cc1nnc(COC2CN(C(=O)c3ccc4[nH]cnc4c3F)C2)o1 ZINC000898023404 591759259 /nfs/dbraw/zinc/75/92/59/591759259.db2.gz SINFLFFUFSRUPB-UHFFFAOYSA-N 0 0 331.307 1.435 10 0 EDAERN Cc1nccn1CC(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818499083 593701665 /nfs/dbraw/zinc/70/16/65/593701665.db2.gz IIRMEMARVLSEDH-QGZVFWFLSA-N 0 0 345.403 1.048 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CN3C[C@H](C(C)C)CC3=O)CC2)n1 ZINC000113245575 595676444 /nfs/dbraw/zinc/67/64/44/595676444.db2.gz URYVXUDJCJEXIJ-HUUCEWRRSA-N 0 0 349.479 1.773 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cn3cnc(-c4ccccc4)n3)CCO2)c1 ZINC000117864059 595844688 /nfs/dbraw/zinc/84/46/88/595844688.db2.gz PTLSQWNMKVSZHD-QGZVFWFLSA-N 0 0 338.415 1.809 10 0 EDAERN Cn1cc([C@@H]2CCN(CN3C(=O)CN(c4ccccc4)C3=O)C2)cn1 ZINC000116258658 595863070 /nfs/dbraw/zinc/86/30/70/595863070.db2.gz INFTVEBYYYWZEZ-CQSZACIVSA-N 0 0 339.399 1.636 10 0 EDAERN CN(CCS(C)(=O)=O)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119149604 596439851 /nfs/dbraw/zinc/43/98/51/596439851.db2.gz TZRXVLKZJZKYDH-AWEZNQCLSA-N 0 0 328.409 1.889 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cn1 ZINC000124604288 597337092 /nfs/dbraw/zinc/33/70/92/597337092.db2.gz XZBQKJOZBSMCAH-SECBINFHSA-N 0 0 348.359 1.286 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)OCCN2CCN(Cc3ccsc3)CC2)O1 ZINC000125406448 597424771 /nfs/dbraw/zinc/42/47/71/597424771.db2.gz OQOFHOCMVCIXCK-ZBFHGGJFSA-N 0 0 338.473 1.976 10 0 EDAERN CCOc1ccnc(N2CCN(Cn3cc(C)cnc3=S)CC2)n1 ZINC000133039152 597923870 /nfs/dbraw/zinc/92/38/70/597923870.db2.gz QZJPQRXHOVXXSU-UHFFFAOYSA-N 0 0 346.460 1.889 10 0 EDAERN C[C@@H](O)c1ccn(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000128924934 598124195 /nfs/dbraw/zinc/12/41/95/598124195.db2.gz UXQGWHKPAWONHN-MLGOLLRUSA-N 0 0 333.363 1.676 10 0 EDAERN CC(C)CNC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000155190896 697402456 /nfs/dbraw/zinc/40/24/56/697402456.db2.gz ABRHMKHFIKJIJB-UHFFFAOYSA-N 0 0 346.431 1.099 10 0 EDAERN Cc1nnc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)s1 ZINC000183335248 701587135 /nfs/dbraw/zinc/58/71/35/701587135.db2.gz MPDGFTJDXCECSK-CQSZACIVSA-N 0 0 332.429 1.338 10 0 EDAERN Cn1ccc(CC(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000181556402 699774789 /nfs/dbraw/zinc/77/47/89/699774789.db2.gz IYEBYBLMPBJRKS-OCCSQVGLSA-N 0 0 336.436 1.772 10 0 EDAERN CCC1(CC)CN(C(=O)[C@@H](CC(C)C)NC(=O)OC)CC[S@@]1=O ZINC000183860296 702710385 /nfs/dbraw/zinc/71/03/85/702710385.db2.gz WLOINZQYQDMJIE-ZLOXQWCVSA-N 0 0 346.493 1.907 10 0 EDAERN COC[C@H](O)CN(C)CC(=O)c1ccc(OC)c(Br)c1 ZINC000050157845 214047660 /nfs/dbraw/zinc/04/76/60/214047660.db2.gz CYFSQTLAADQQTJ-LLVKDONJSA-N 0 0 346.221 1.580 10 0 EDAERN CC[C@@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@H]1O ZINC000000000014 252327733 /nfs/dbraw/zinc/32/77/33/252327733.db2.gz CJDRUOGAGYHKKD-MMIPIFCTSA-N 0 0 326.440 1.555 10 0 biogenic,in-vitro EDAERN CC(C)NC(=O)CCN1C(=O)C(=O)c2cccc(Br)c21 ZINC000054048639 214213457 /nfs/dbraw/zinc/21/34/57/214213457.db2.gz NZSCIGIQIJQCQD-UHFFFAOYSA-N 0 0 339.189 1.893 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cnc4c(c3)c(C)nn4C)CCO2)[nH]1 ZINC000173679064 231003679 /nfs/dbraw/zinc/00/36/79/231003679.db2.gz SVGBXQDIPIDIIO-CQSZACIVSA-N 0 0 327.392 1.277 10 0 EDAERN O=C(NCC1(c2ccccc2)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173767833 231028138 /nfs/dbraw/zinc/02/81/38/231028138.db2.gz DWDCAYQZDOYYCG-QGZVFWFLSA-N 0 0 329.444 1.834 10 0 EDAERN C[C@H]1CN(C(=O)c2c(Cl)nc3ccccn32)C[C@@H]1N1CCOCC1 ZINC000173964544 231084463 /nfs/dbraw/zinc/08/44/63/231084463.db2.gz FICKBYQMMPDHRE-STQMWFEESA-N 0 0 348.834 1.780 10 0 EDAERN CNS(=O)(=O)c1ccc(NCCc2nc(C)cs2)c(N)c1 ZINC000063133038 214745056 /nfs/dbraw/zinc/74/50/56/214745056.db2.gz KKHPZSCLTLLYKK-UHFFFAOYSA-N 0 0 326.447 1.596 10 0 EDAERN CCc1cc(=O)n2nc(N3CCO[C@H](c4ccco4)C3)sc2n1 ZINC000133349952 529507531 /nfs/dbraw/zinc/50/75/31/529507531.db2.gz OTIFBLOUYAOPSU-LBPRGKRZSA-N 0 0 332.385 1.884 10 0 EDAERN CC[C@@]1(C)C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168903954 529521722 /nfs/dbraw/zinc/52/17/22/529521722.db2.gz IUQBWTVCGFZIOC-ZDUSSCGKSA-N 0 0 326.194 1.471 10 0 EDAERN COC[C@@H]1CN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)C[C@H](C)O1 ZINC000187656921 536778407 /nfs/dbraw/zinc/77/84/07/536778407.db2.gz CMBKPSAQIFPIFO-AVGNSLFASA-N 0 0 337.424 1.121 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000181853420 529698416 /nfs/dbraw/zinc/69/84/16/529698416.db2.gz OCYWZQHREULDIV-IRXDYDNUSA-N 0 0 349.475 1.860 10 0 EDAERN Cc1nnc(COC(=O)c2cc(N)c(F)cc2Br)n1C ZINC000061089830 214654881 /nfs/dbraw/zinc/65/48/81/214654881.db2.gz BTGOLOPLHSSPCA-UHFFFAOYSA-N 0 0 343.156 1.964 10 0 EDAERN O=C(CCc1ccc(N2CCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000062064282 214695063 /nfs/dbraw/zinc/69/50/63/214695063.db2.gz UECDTOFTRRUPLQ-HNNXBMFYSA-N 0 0 336.457 1.523 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1-n1ccnn1 ZINC000183072222 529750698 /nfs/dbraw/zinc/75/06/98/529750698.db2.gz FQNYKCIVBDUAFM-CYBMUJFWSA-N 0 0 337.387 1.686 10 0 EDAERN C[C@@H](C(=O)NCCCC1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000170191583 539345483 /nfs/dbraw/zinc/34/54/83/539345483.db2.gz UUBOTRUAHCEFQY-ZDUSSCGKSA-N 0 0 344.411 1.994 10 0 EDAERN C[N@H+](CC(=O)[O-])C1CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000186677409 529839935 /nfs/dbraw/zinc/83/99/35/529839935.db2.gz HLZAKEURMHPQNW-UHFFFAOYSA-N 0 0 346.406 1.992 10 0 EDAERN CN(CC(=O)NC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000125751975 282353401 /nfs/dbraw/zinc/35/34/01/282353401.db2.gz UHCOHUNWLXLTAO-YOEHRIQHSA-N 0 0 347.390 1.082 10 0 EDAERN COCCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000011097378 201806694 /nfs/dbraw/zinc/80/66/94/201806694.db2.gz GIVHDTIXKAUOHL-AWEZNQCLSA-N 0 0 347.415 1.258 10 0 EDAERN O=C(CN1C(=O)N/C(=C\c2ccc(F)cc2)C1=O)N1CCCCC1 ZINC000015052475 201949014 /nfs/dbraw/zinc/94/90/14/201949014.db2.gz OBLWMTORBPCYCP-UVTDQMKNSA-N 0 0 331.347 1.731 10 0 EDAERN CN(C)C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1 ZINC000154245627 539571485 /nfs/dbraw/zinc/57/14/85/539571485.db2.gz TUNBHCVMLBZXRP-JKSUJKDBSA-N 0 0 326.462 1.778 10 0 EDAERN C[C@@H](C(=O)NCCc1cscn1)N1C(=O)c2ccccc2C1=O ZINC000162698644 540049170 /nfs/dbraw/zinc/04/91/70/540049170.db2.gz YBLNYMCGEJDXGP-JTQLQIEISA-N 0 0 329.381 1.487 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnn(CC2CC2)c1 ZINC000178130898 540109505 /nfs/dbraw/zinc/10/95/05/540109505.db2.gz HGMCFHOPVCTCJP-CYBMUJFWSA-N 0 0 345.407 1.688 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000178874252 540113747 /nfs/dbraw/zinc/11/37/47/540113747.db2.gz OMKAHWOJOOKTCE-AWEZNQCLSA-N 0 0 335.452 1.519 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC000178977316 540115149 /nfs/dbraw/zinc/11/51/49/540115149.db2.gz FMTAZBJLCLDYSB-LLVKDONJSA-N 0 0 338.385 1.262 10 0 EDAERN CCc1nn(C)cc1CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000180103582 540120915 /nfs/dbraw/zinc/12/09/15/540120915.db2.gz IQSHOECCGMTQCD-UHFFFAOYSA-N 0 0 330.480 1.651 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1F ZINC000180635886 540121758 /nfs/dbraw/zinc/12/17/58/540121758.db2.gz IQNOBCUCOHZTGE-ZDUSSCGKSA-N 0 0 335.379 1.006 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000193843571 540183467 /nfs/dbraw/zinc/18/34/67/540183467.db2.gz DASMVTFKJACOJG-ZHALLVOQSA-N 0 0 330.428 1.592 10 0 EDAERN C[C@H](NC(=O)[C@H](C)N1CCC(N2CCNC2=O)CC1)c1ccccc1 ZINC000052216084 138137715 /nfs/dbraw/zinc/13/77/15/138137715.db2.gz JROBJIBYJHCVOQ-GJZGRUSLSA-N 0 0 344.459 1.742 10 0 EDAERN O=C(CCNS(=O)(=O)c1ccccc1)n1nnc2ccccc21 ZINC000020629052 202051021 /nfs/dbraw/zinc/05/10/21/202051021.db2.gz OUHFYLUQPIYADN-UHFFFAOYSA-N 0 0 330.369 1.440 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000185268829 235629514 /nfs/dbraw/zinc/62/95/14/235629514.db2.gz QQRNVIYSSCXCAN-GHMZBOCLSA-N 0 0 342.317 1.181 10 0 EDAERN O=S(=O)(c1ccnc(Cl)c1)N1CCN(c2nccs2)CC1 ZINC000038008468 202082420 /nfs/dbraw/zinc/08/24/20/202082420.db2.gz MCAQNJSUAVPNCU-UHFFFAOYSA-N 0 0 344.849 1.702 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)C1 ZINC000185399434 235658964 /nfs/dbraw/zinc/65/89/64/235658964.db2.gz YNSZBWQTHDOAFV-AWEZNQCLSA-N 0 0 333.432 1.391 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CNC(=O)c1ccccc1 ZINC000078522292 138257681 /nfs/dbraw/zinc/25/76/81/138257681.db2.gz QELVDOUSHWSFGK-JYJNAYRXSA-N 0 0 344.411 1.749 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nncn2C)c1)[C@H]1CCCO1 ZINC000078728217 138258748 /nfs/dbraw/zinc/25/87/48/138258748.db2.gz ITXPUCAPZNTKAL-BXUZGUMPSA-N 0 0 343.387 1.104 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2cccc(F)c2F)C1 ZINC000185753761 235741434 /nfs/dbraw/zinc/74/14/34/235741434.db2.gz VOVGGWSVAUPHSB-SECBINFHSA-N 0 0 327.331 1.182 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000118080181 138312676 /nfs/dbraw/zinc/31/26/76/138312676.db2.gz WRSLBEYUCANDGC-BBWFWOEESA-N 0 0 349.479 1.475 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)CSCC(F)(F)F)n1 ZINC000121007188 138316747 /nfs/dbraw/zinc/31/67/47/138316747.db2.gz DGJKESBFHGXDOJ-MRVPVSSYSA-N 0 0 325.312 1.573 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CSCc1ccccn1)CC2 ZINC000114865406 138310687 /nfs/dbraw/zinc/31/06/87/138310687.db2.gz QEECGWZJLTYMFF-GFCCVEGCSA-N 0 0 331.445 1.600 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccccc1COC)CC2 ZINC000114926169 138310947 /nfs/dbraw/zinc/31/09/47/138310947.db2.gz GVTSPIQWKYIJBH-HNNXBMFYSA-N 0 0 343.431 1.801 10 0 EDAERN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc(C)cs2)n1 ZINC000027666346 202159521 /nfs/dbraw/zinc/15/95/21/202159521.db2.gz VFVLBNRJUNGQPB-UHFFFAOYSA-N 0 0 346.821 1.941 10 0 EDAERN CCc1nnsc1C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122159546 138318019 /nfs/dbraw/zinc/31/80/19/138318019.db2.gz PKPVMSKDZBJWEV-LLVKDONJSA-N 0 0 332.433 1.632 10 0 EDAERN C[C@H](CNC(=O)c1cnc(-c2ncccn2)s1)N1CCOCC1 ZINC000124165517 138324457 /nfs/dbraw/zinc/32/44/57/138324457.db2.gz FHUPDFCTNHNOEW-LLVKDONJSA-N 0 0 333.417 1.051 10 0 EDAERN O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC(c2cc[nH]n2)CC1 ZINC000125346723 138333413 /nfs/dbraw/zinc/33/34/13/138333413.db2.gz JAOSVZCWVVSPPJ-UHFFFAOYSA-N 0 0 349.394 1.975 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H]1CCCO1 ZINC000125504414 138334508 /nfs/dbraw/zinc/33/45/08/138334508.db2.gz XFPHNYFGPGFIEJ-WFASDCNBSA-N 0 0 328.372 1.495 10 0 EDAERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000130852502 138348261 /nfs/dbraw/zinc/34/82/61/138348261.db2.gz KMHJIOCWBYGSLM-DZGCQCFKSA-N 0 0 336.436 1.503 10 0 EDAERN Cc1nccn1CCCCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000131245320 138355283 /nfs/dbraw/zinc/35/52/83/138355283.db2.gz PPNNCYOCMRHKRA-ZDUSSCGKSA-N 0 0 345.451 1.960 10 0 EDAERN O=C1CN(CCCCCCCCCCN2CC(=O)NC2=O)C(=O)N1 ZINC000038595389 202194222 /nfs/dbraw/zinc/19/42/22/202194222.db2.gz QQXACZIVVABZFK-UHFFFAOYSA-N 0 0 338.408 1.211 10 0 EDAERN CN1C(=O)CCc2cc(NC(=O)N[C@H]3CCc4ncnn4C3)ccc21 ZINC000131995770 138369728 /nfs/dbraw/zinc/36/97/28/138369728.db2.gz LTEVBVHIFYSVFP-ZDUSSCGKSA-N 0 0 340.387 1.324 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CSCc3cscn3)CCO2)[nH]1 ZINC000132875226 138384669 /nfs/dbraw/zinc/38/46/69/138384669.db2.gz JUOKBWBQLIYTBJ-LLVKDONJSA-N 0 0 339.446 1.403 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCCCCOC)CCO2)[nH]1 ZINC000137999073 138437994 /nfs/dbraw/zinc/43/79/94/138437994.db2.gz CWSICYWQNUBWTE-LBPRGKRZSA-N 0 0 325.413 1.267 10 0 EDAERN O=C(NC1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1)C1CC1 ZINC000187927562 236345895 /nfs/dbraw/zinc/34/58/95/236345895.db2.gz XOLCRWZCIQUIMU-UHFFFAOYSA-N 0 0 346.811 1.519 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)cc2F)C1)C1CC1 ZINC000187931699 236346858 /nfs/dbraw/zinc/34/68/58/236346858.db2.gz VGCBGHNYYAHTET-UHFFFAOYSA-N 0 0 332.784 1.378 10 0 EDAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125300466 138610112 /nfs/dbraw/zinc/61/01/12/138610112.db2.gz WPUZMSSOPNIVGM-CQSZACIVSA-N 0 0 336.461 1.817 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000180276317 283356105 /nfs/dbraw/zinc/35/61/05/283356105.db2.gz QIBLXJDHQCREGK-SNVBAGLBSA-N 0 0 342.182 1.801 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161770424 138644029 /nfs/dbraw/zinc/64/40/29/138644029.db2.gz VVQVZQDNJXONJR-CQSZACIVSA-N 0 0 342.403 1.567 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)C(C)C ZINC000178710404 138744626 /nfs/dbraw/zinc/74/46/26/138744626.db2.gz WRYHADHBEAJSKL-MRXNPFEDSA-N 0 0 331.416 1.464 10 0 EDAERN O=C(NCCCNC(=O)N1CCC(c2cc[nH]n2)CC1)C1CCC1 ZINC000181039995 138764404 /nfs/dbraw/zinc/76/44/04/138764404.db2.gz GLTMWAGZFTYNBI-UHFFFAOYSA-N 0 0 333.436 1.605 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CC1CCOCC1)CC2 ZINC000181727086 138770983 /nfs/dbraw/zinc/77/09/83/138770983.db2.gz NPXZYMOHGFQQFC-ZDUSSCGKSA-N 0 0 342.465 1.062 10 0 EDAERN C[C@@H](COc1ccc(Br)cc1F)CS(N)(=O)=O ZINC000070065439 202304648 /nfs/dbraw/zinc/30/46/48/202304648.db2.gz PUVBALXOXOWSKL-ZETCQYMHSA-N 0 0 326.187 1.892 10 0 EDAERN NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1cccs1)CC2 ZINC000036135604 202318141 /nfs/dbraw/zinc/31/81/41/202318141.db2.gz QFDZVNNEXBQHQK-UHFFFAOYSA-N 0 0 336.438 1.523 10 0 EDAERN CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)Cc2cccs2)CC1 ZINC000036256711 202318625 /nfs/dbraw/zinc/31/86/25/202318625.db2.gz YPJVZPKJQZDVMI-KRWDZBQOSA-N 0 0 349.500 1.740 10 0 EDAERN CN(Cc1cn[nH]c1)S(=O)(=O)c1ccc(Br)cc1N ZINC000070229241 202320125 /nfs/dbraw/zinc/32/01/25/202320125.db2.gz VAMSFNQMPFKGSQ-UHFFFAOYSA-N 0 0 345.222 1.575 10 0 EDAERN C[C@@H]1CSCCN1S(=O)(=O)Cc1ccc(C(N)=S)cc1 ZINC000070222570 202321115 /nfs/dbraw/zinc/32/11/15/202321115.db2.gz KWVABSKZDQVWRE-SNVBAGLBSA-N 0 0 330.500 1.588 10 0 EDAERN Cc1cc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)on1 ZINC000036562427 202326383 /nfs/dbraw/zinc/32/63/83/202326383.db2.gz XVHPFKLFTQDJHN-UHFFFAOYSA-N 0 0 328.372 1.623 10 0 EDAERN COCCN([C@@H]1CCSC1)S(=O)(=O)c1cnccc1Cl ZINC000071204262 202339800 /nfs/dbraw/zinc/33/98/00/202339800.db2.gz SCTIJAYMVNPWNI-SNVBAGLBSA-N 0 0 336.866 1.878 10 0 EDAERN Cc1noc(CNS(=O)(=O)c2ccc(N)c(Br)c2)n1 ZINC000071384530 202347666 /nfs/dbraw/zinc/34/76/66/202347666.db2.gz VLFMHECCDZPPKT-UHFFFAOYSA-N 0 0 347.194 1.201 10 0 EDAERN CN1CCN(c2nc(C(=O)NCc3cccc(F)c3)cs2)CC1 ZINC000075509731 202381662 /nfs/dbraw/zinc/38/16/62/202381662.db2.gz RNEVNERUXIXZAR-UHFFFAOYSA-N 0 0 334.420 1.964 10 0 EDAERN Nc1ncn(CC(=O)Nc2ccccc2I)n1 ZINC000038038631 202388514 /nfs/dbraw/zinc/38/85/14/202388514.db2.gz DFFIVTGJRFFKBI-UHFFFAOYSA-N 0 0 343.128 1.104 10 0 EDAERN CSc1ccc(Cl)c(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1 ZINC000039410028 202411814 /nfs/dbraw/zinc/41/18/14/202411814.db2.gz KMCMNKMDXBNRRW-UHFFFAOYSA-N 0 0 339.804 1.712 10 0 EDAERN CCCNC(=O)Cn1c(CCNC(=O)C(C)C)nc2ccccc21 ZINC000040299115 202434232 /nfs/dbraw/zinc/43/42/32/202434232.db2.gz NUDBLBFMXKTCJR-UHFFFAOYSA-N 0 0 330.432 1.877 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)c2ccoc2)c(Br)c1 ZINC000040378671 202436952 /nfs/dbraw/zinc/43/69/52/202436952.db2.gz UNJAPDWDCZVXBQ-UHFFFAOYSA-N 0 0 345.174 1.942 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(F)c(F)c2)n1 ZINC000185066314 138800588 /nfs/dbraw/zinc/80/05/88/138800588.db2.gz DINUZLSWNGFRRS-CYBMUJFWSA-N 0 0 338.314 1.668 10 0 EDAERN COc1cc2c(cc1OC)CN(C(=O)CNC(=O)CC(C)C)CC2 ZINC000041428620 202481438 /nfs/dbraw/zinc/48/14/38/202481438.db2.gz AAOOAFJANZTBQK-UHFFFAOYSA-N 0 0 334.416 1.751 10 0 EDAERN NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000027915227 212584608 /nfs/dbraw/zinc/58/46/08/212584608.db2.gz SYQCGIBSXDZISY-UHFFFAOYSA-N 0 0 348.380 1.138 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)C(C)C ZINC000186238952 138814759 /nfs/dbraw/zinc/81/47/59/138814759.db2.gz DOIYTASJENBJDI-OAHLLOKOSA-N 0 0 349.435 1.316 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000114872788 201071690 /nfs/dbraw/zinc/07/16/90/201071690.db2.gz UTMSFCDSPPPFCW-GFCCVEGCSA-N 0 0 328.372 1.243 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)CC2 ZINC000114874315 201071732 /nfs/dbraw/zinc/07/17/32/201071732.db2.gz PCEOUBRNIPILDO-QMMMGPOBSA-N 0 0 346.865 1.849 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(OC)cc(OC)c1)CC2 ZINC000114870761 201072140 /nfs/dbraw/zinc/07/21/40/201072140.db2.gz FVRNUSBEQHMZPX-GFCCVEGCSA-N 0 0 330.388 1.603 10 0 EDAERN O=C(NCCN1CCCS1(=O)=O)N1CCC[C@@H]1c1ccco1 ZINC000116425989 201075579 /nfs/dbraw/zinc/07/55/79/201075579.db2.gz SICMFMLQGXLWFY-GFCCVEGCSA-N 0 0 327.406 1.162 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(NC=O)cc1)CC2 ZINC000136881470 201134630 /nfs/dbraw/zinc/13/46/30/201134630.db2.gz SMFWNTZYXJHMBF-CQSZACIVSA-N 0 0 327.388 1.715 10 0 EDAERN COc1c(F)cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1F ZINC000071065453 201169595 /nfs/dbraw/zinc/16/95/95/201169595.db2.gz SQSIPNURZNUHKH-UFBFGSQYSA-N 0 0 328.315 1.596 10 0 EDAERN C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)c1cc(F)c(Cl)c(CO)c1 ZINC000161898383 201393059 /nfs/dbraw/zinc/39/30/59/201393059.db2.gz HXCQGSUURKIFJV-QPUJVOFHSA-N 0 0 337.800 1.769 10 0 EDAERN Nc1n[nH]cc1CNS(=O)(=O)c1ccc(Br)cc1F ZINC000161927370 201394787 /nfs/dbraw/zinc/39/47/87/201394787.db2.gz STVTUIIPJIYJJK-UHFFFAOYSA-N 0 0 349.185 1.372 10 0 EDAERN NC(=S)Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000162002611 201402842 /nfs/dbraw/zinc/40/28/42/201402842.db2.gz IYBAMXPGFXAZHM-RTXFEEFZSA-N 0 0 326.443 1.113 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(Br)n1 ZINC000188612318 138846258 /nfs/dbraw/zinc/84/62/58/138846258.db2.gz AJNSFKHXGLZWGW-QMMMGPOBSA-N 0 0 327.182 1.586 10 0 EDAERN Cc1nnc2sc(C3CCN(C(=O)N4CCOCC4)CC3)nn12 ZINC000049740793 202628411 /nfs/dbraw/zinc/62/84/11/202628411.db2.gz JVWLICKGIOCRHP-UHFFFAOYSA-N 0 0 336.421 1.126 10 0 EDAERN COCCN[C@@H](C(=O)OC)c1cc(Br)ccc1OC ZINC000053258756 202656466 /nfs/dbraw/zinc/65/64/66/202656466.db2.gz OOUUWUDIPGIYJD-GFCCVEGCSA-N 0 0 332.194 1.908 10 0 EDAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(N)cc(Br)c1 ZINC000165309592 201421367 /nfs/dbraw/zinc/42/13/67/201421367.db2.gz GOYKOHGRBHHIMH-LBPRGKRZSA-N 0 0 340.221 1.724 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000189216112 138864186 /nfs/dbraw/zinc/86/41/86/138864186.db2.gz CDNDCHMOVDBECJ-OCCSQVGLSA-N 0 0 340.387 1.380 10 0 EDAERN COC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1c(C)cc(C)cc1C ZINC000058949221 202773982 /nfs/dbraw/zinc/77/39/82/202773982.db2.gz KXHNZZPRBNBXQZ-AWEZNQCLSA-N 0 0 330.384 1.828 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)cn1 ZINC000109276894 219958076 /nfs/dbraw/zinc/95/80/76/219958076.db2.gz LFOMJEZACLNUED-INIZCTEOSA-N 0 0 326.400 1.965 10 0 EDAERN NNc1nnc(SCC(=O)c2ccc(Br)cc2)n1N ZINC000021035299 212202206 /nfs/dbraw/zinc/20/22/06/212202206.db2.gz WCJXGBHTHTUIBZ-UHFFFAOYSA-N 0 0 343.210 1.015 10 0 EDAERN COc1ccccc1-c1ccc(=O)n(CC(=O)NC2CCCC2)n1 ZINC000004968111 201630190 /nfs/dbraw/zinc/63/01/90/201630190.db2.gz NXWOITRSBZPOQQ-UHFFFAOYSA-N 0 0 327.384 1.978 10 0 EDAERN Cc1ccc(-c2oncc2C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000062631993 202800364 /nfs/dbraw/zinc/80/03/64/202800364.db2.gz ICKSUTSHISNNIZ-CYBMUJFWSA-N 0 0 334.397 1.909 10 0 EDAERN Cc1nnc2sc(CCC(=O)N3CCO[C@H]4CCCC[C@H]43)nn12 ZINC000062521422 202799635 /nfs/dbraw/zinc/79/96/35/202799635.db2.gz MDCSEKWTKNOYAG-NEPJUHHUSA-N 0 0 335.433 1.597 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)ccc1Cl ZINC000089159633 202801555 /nfs/dbraw/zinc/80/15/55/202801555.db2.gz JHNPAGHUFNZYRS-JQWIXIFHSA-N 0 0 331.821 1.634 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCOc1ccc(Cl)cc1 ZINC000191109187 138905154 /nfs/dbraw/zinc/90/51/54/138905154.db2.gz UERDTCSLHYSXRK-NSHDSACASA-N 0 0 325.796 1.639 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cc(C(C)=O)cn3C)CCO2)cn1 ZINC000191400251 138913128 /nfs/dbraw/zinc/91/31/28/138913128.db2.gz RNTWZCYQYUOICE-INIZCTEOSA-N 0 0 330.388 1.658 10 0 EDAERN CCOC(=O)/C=C/C(=O)NC(=S)Nc1ccc(C)c(NC(C)=O)c1 ZINC000066185229 202882002 /nfs/dbraw/zinc/88/20/02/202882002.db2.gz KBGCPWYMOZPFOU-BQYQJAHWSA-N 0 0 349.412 1.886 10 0 EDAERN COCc1c2ccccc2sc1C(=O)NCCS(N)(=O)=O ZINC000069492465 203008707 /nfs/dbraw/zinc/00/87/07/203008707.db2.gz HDYNFLGUHHERAN-UHFFFAOYSA-N 0 0 328.415 1.066 10 0 EDAERN CC(C)n1cc(Br)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000090866166 203055804 /nfs/dbraw/zinc/05/58/04/203055804.db2.gz NOVKZYZXVRLRBA-GFCCVEGCSA-N 0 0 344.253 1.892 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(N)c(Br)c2)CCO1 ZINC000070216882 203074024 /nfs/dbraw/zinc/07/40/24/203074024.db2.gz GNMYEWRGANQDQT-MRVPVSSYSA-N 0 0 335.223 1.441 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc4nccn4c3)CCO2)cn1 ZINC000191719123 138922064 /nfs/dbraw/zinc/92/20/64/138922064.db2.gz VOAMRBTYQDNEPT-OAHLLOKOSA-N 0 0 325.372 1.764 10 0 EDAERN Cc1cc(C)nc(NC(=O)[C@@H](C)n2nc(-n3cccn3)ccc2=O)n1 ZINC000070874236 203082368 /nfs/dbraw/zinc/08/23/68/203082368.db2.gz LOJUFMHMDAWWRW-GFCCVEGCSA-N 0 0 339.359 1.036 10 0 EDAERN Cc1cc(C)c(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c(C)c1 ZINC000070873294 203083110 /nfs/dbraw/zinc/08/31/10/203083110.db2.gz YRDQSGZETZPVKY-UHFFFAOYSA-N 0 0 337.383 1.993 10 0 EDAERN COC[C@@H](C)N(C)S(=O)(=O)c1ccc(N)c(Br)c1 ZINC000071384470 203094115 /nfs/dbraw/zinc/09/41/15/203094115.db2.gz OSLWJZSRXMGSEH-MRVPVSSYSA-N 0 0 337.239 1.687 10 0 EDAERN COCCOCCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl ZINC000070481315 203078366 /nfs/dbraw/zinc/07/83/66/203078366.db2.gz RIPDCLBTJOTCAD-UHFFFAOYSA-N 0 0 344.216 1.683 10 0 EDAERN NS(=O)(=O)c1ccc(N[C@@H]2CCCOC2)c(Br)c1 ZINC000070464639 203078685 /nfs/dbraw/zinc/07/86/85/203078685.db2.gz BJIARFWFEDIMKK-MRVPVSSYSA-N 0 0 335.223 1.687 10 0 EDAERN Cc1nnc(NC(=O)Cn2c(CN(C)C)nc3ccccc32)s1 ZINC000071502785 203099151 /nfs/dbraw/zinc/09/91/51/203099151.db2.gz WQRJFTHZWOZWKW-UHFFFAOYSA-N 0 0 330.417 1.897 10 0 EDAERN COC(CNC(=O)C=C(C)C(=O)Nc1ccc(C(C)=O)cc1)OC ZINC000071542447 203099832 /nfs/dbraw/zinc/09/98/32/203099832.db2.gz JZZQRXAJKDKNJG-LUAWRHEFSA-N 0 0 334.372 1.509 10 0 EDAERN COC(=O)CCN(CCCNC(C)=O)C(=O)CCc1ccc(C)cc1 ZINC000071636005 203101042 /nfs/dbraw/zinc/10/10/42/203101042.db2.gz SFFYRFVWYWJEBI-UHFFFAOYSA-N 0 0 348.443 1.846 10 0 EDAERN CCOC(=O)CCN(C[C@H](C)O)C(=O)COc1ccc(Cl)cc1 ZINC000071622119 203101370 /nfs/dbraw/zinc/10/13/70/203101370.db2.gz HDYWKWGPITZKGR-LBPRGKRZSA-N 0 0 343.807 1.881 10 0 EDAERN Cn1cc(CNS(=O)(=O)c2ccc(-c3cccnc3)cc2)cn1 ZINC000071710258 203103836 /nfs/dbraw/zinc/10/38/36/203103836.db2.gz FRQYNPZASGQKOR-UHFFFAOYSA-N 0 0 328.397 1.961 10 0 EDAERN COC(=O)Cc1nn(-c2ccc(F)cc2)c2c1nnc1ccnn12 ZINC000072461540 203228318 /nfs/dbraw/zinc/22/83/18/203228318.db2.gz GDVAZCOHDJPAJZ-UHFFFAOYSA-N 0 0 326.291 1.318 10 0 EDAERN C[C@H](C(N)=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000074909648 203296493 /nfs/dbraw/zinc/29/64/93/203296493.db2.gz YNBOMNYWJCZFLZ-SNVBAGLBSA-N 0 0 340.221 1.081 10 0 EDAERN COc1ccc(CCN2C[C@H](C(=O)N[C@H]3C[C@@H]3C)CC2=O)cc1OC ZINC000075530186 203317310 /nfs/dbraw/zinc/31/73/10/203317310.db2.gz RJVJGMPICSNBKR-CFVMTHIKSA-N 0 0 346.427 1.619 10 0 EDAERN O=S(=O)(N[C@@H]1CCN(c2ncnc3c2CCC3)C1)c1ccccc1 ZINC000075876912 203326127 /nfs/dbraw/zinc/32/61/27/203326127.db2.gz ZLLCNJLUYBQNER-CYBMUJFWSA-N 0 0 344.440 1.523 10 0 EDAERN Cn1ccc2ccc(NC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3O)cc21 ZINC000076335326 203348898 /nfs/dbraw/zinc/34/88/98/203348898.db2.gz VFGIGCPEJGHWPI-BBRMVZONSA-N 0 0 329.400 1.784 10 0 EDAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)NC[C@H]1CCCC[C@H]1O ZINC000077147209 203373582 /nfs/dbraw/zinc/37/35/82/203373582.db2.gz FXIXJIIAPOGQKH-IUODEOHRSA-N 0 0 344.415 1.350 10 0 EDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000077139065 203371700 /nfs/dbraw/zinc/37/17/00/203371700.db2.gz FJKUOIWVCKGYMT-UWVGGRQHSA-N 0 0 346.836 1.498 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000078655426 203425183 /nfs/dbraw/zinc/42/51/83/203425183.db2.gz FABULDNFLSHIPV-SECBINFHSA-N 0 0 348.371 1.782 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)cn1)CC2 ZINC000193322348 138966721 /nfs/dbraw/zinc/96/67/21/138966721.db2.gz ALLHBLAMXMRPAZ-LLVKDONJSA-N 0 0 346.366 1.005 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000081450346 203480638 /nfs/dbraw/zinc/48/06/38/203480638.db2.gz QWTUCINYKUKUQY-LBPRGKRZSA-N 0 0 345.399 1.585 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000083754996 203519766 /nfs/dbraw/zinc/51/97/66/203519766.db2.gz TVXMIMXCWNWYOG-CQSZACIVSA-N 0 0 327.388 1.739 10 0 EDAERN CCc1nnc(CNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)s1 ZINC000091574949 203638864 /nfs/dbraw/zinc/63/88/64/203638864.db2.gz FTKOQCQDPQVNIK-JTQLQIEISA-N 0 0 334.376 1.982 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000091779063 203651696 /nfs/dbraw/zinc/65/16/96/203651696.db2.gz KUMPVSDUFFVPFP-CYBMUJFWSA-N 0 0 334.763 1.056 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000091783898 203652106 /nfs/dbraw/zinc/65/21/06/203652106.db2.gz IKIXVPJZMITMCH-ZDUSSCGKSA-N 0 0 349.387 1.199 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000194525144 138994194 /nfs/dbraw/zinc/99/41/94/138994194.db2.gz QDLGSDZPLNZHJR-INIZCTEOSA-N 0 0 343.431 1.766 10 0 EDAERN CCc1nnc(NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000151453601 203969442 /nfs/dbraw/zinc/96/94/42/203969442.db2.gz LTYLTOQJEULIMS-SECBINFHSA-N 0 0 335.437 1.952 10 0 EDAERN CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(N)cs1 ZINC000041068186 204000379 /nfs/dbraw/zinc/00/03/79/204000379.db2.gz YVTDAYDWRJGCPP-UHFFFAOYSA-N 0 0 326.399 1.880 10 0 EDAERN Cn1nc(CNS(=O)(=O)/C=C\c2ccccc2)c2c1CCOC2 ZINC000101323279 204003770 /nfs/dbraw/zinc/00/37/70/204003770.db2.gz VFXFFQJQDRCWGL-NTMALXAHSA-N 0 0 333.413 1.583 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2F)C1 ZINC000102102510 204032174 /nfs/dbraw/zinc/03/21/74/204032174.db2.gz VPMUWDKXGIPOIL-GFCCVEGCSA-N 0 0 335.379 1.672 10 0 EDAERN COCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1Br ZINC000102093988 204032252 /nfs/dbraw/zinc/03/22/52/204032252.db2.gz AYVZNUVCEGLXGE-SECBINFHSA-N 0 0 329.194 1.929 10 0 EDAERN CC[C@@]1(c2ccc(NC(=O)[C@H](C)COC)cc2)CCC(=O)NC1=O ZINC000103431803 204077931 /nfs/dbraw/zinc/07/79/31/204077931.db2.gz YRGBKISDKLGNOK-XIKOKIGWSA-N 0 0 332.400 1.992 10 0 EDAERN CCN(C)C(=O)CN1C(=O)C(=O)c2cc(Br)cc(C)c21 ZINC000042117958 204062169 /nfs/dbraw/zinc/06/21/69/204062169.db2.gz DLXFHNBFEJIGAS-UHFFFAOYSA-N 0 0 339.189 1.765 10 0 EDAERN C[C@@H](COc1ccc(F)cc1F)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000104791912 204120220 /nfs/dbraw/zinc/12/02/20/204120220.db2.gz GWOSCACBOONZEM-AAEUAGOBSA-N 0 0 343.374 1.362 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000104799978 204121306 /nfs/dbraw/zinc/12/13/06/204121306.db2.gz MJSKNDDLXRUFPR-QGZVFWFLSA-N 0 0 345.443 1.622 10 0 EDAERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104799673 204121845 /nfs/dbraw/zinc/12/18/45/204121845.db2.gz AXJCECHLBCIGPY-HNNXBMFYSA-N 0 0 348.447 1.214 10 0 EDAERN COC[C@H](O)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000042483667 204103187 /nfs/dbraw/zinc/10/31/87/204103187.db2.gz QMTZAHBSHJJLPA-MRVPVSSYSA-N 0 0 343.232 1.203 10 0 EDAERN Cc1ccc(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)s1 ZINC000104283516 204103973 /nfs/dbraw/zinc/10/39/73/204103973.db2.gz ZMNOUCUNAMBFFX-UHFFFAOYSA-N 0 0 329.175 1.552 10 0 EDAERN Cc1ccccc1CNC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798930 204160124 /nfs/dbraw/zinc/16/01/24/204160124.db2.gz NRHUASBCXJXDTJ-UHFFFAOYSA-N 0 0 339.443 1.614 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)NCc1ccccc1 ZINC000105798524 204161444 /nfs/dbraw/zinc/16/14/44/204161444.db2.gz IXYPPEPJAHRIOW-UHFFFAOYSA-N 0 0 325.416 1.305 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3ccnc(F)c3)CC2)cn1 ZINC000105830783 204167339 /nfs/dbraw/zinc/16/73/39/204167339.db2.gz PCDIZABDLWFOIF-UHFFFAOYSA-N 0 0 331.395 1.785 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NCc2cccs2)C[C@H]1C ZINC000105833068 204168620 /nfs/dbraw/zinc/16/86/20/204168620.db2.gz RJKSAPYWDXDTKO-KGLIPLIRSA-N 0 0 325.478 1.405 10 0 EDAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105282025 204140655 /nfs/dbraw/zinc/14/06/55/204140655.db2.gz XPAKWKKNYATNLQ-OAHLLOKOSA-N 0 0 346.431 1.339 10 0 EDAERN O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCC[C@@H](n2cncn2)C1 ZINC000105854367 204170715 /nfs/dbraw/zinc/17/07/15/204170715.db2.gz NFEZMXNHSNFYSW-ZBFHGGJFSA-N 0 0 343.362 1.774 10 0 EDAERN COc1cccc(OC)c1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105867787 204173405 /nfs/dbraw/zinc/17/34/05/204173405.db2.gz WGUKGKLQDYUMQI-UHFFFAOYSA-N 0 0 342.399 1.846 10 0 EDAERN Cn1cc(CN2CCCN(Cc3noc(C(C)(C)C)n3)CC2)cn1 ZINC000105869829 204173441 /nfs/dbraw/zinc/17/34/41/204173441.db2.gz NTFIBNPAMBTHJJ-UHFFFAOYSA-N 0 0 332.452 1.809 10 0 EDAERN CCCc1noc(CN2CCN(c3nccc(OCC)n3)CC2)n1 ZINC000105868516 204173776 /nfs/dbraw/zinc/17/37/76/204173776.db2.gz COWICDYEFPPXFL-UHFFFAOYSA-N 0 0 332.408 1.533 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)N(C)c3ccccc3)CCO2)n1 ZINC000105893208 204175810 /nfs/dbraw/zinc/17/58/10/204175810.db2.gz RSSJMPTVDQFVNQ-GOSISDBHSA-N 0 0 342.443 1.864 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccccc3C)CCO2)c1 ZINC000105891495 204176376 /nfs/dbraw/zinc/17/63/76/204176376.db2.gz HZBDHOCNVMSITR-MRXNPFEDSA-N 0 0 328.416 1.839 10 0 EDAERN Cc1nc(COc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C)cc2)no1 ZINC000108613334 204268928 /nfs/dbraw/zinc/26/89/28/204268928.db2.gz UBZOAHFYZRKRNY-TVQRCGJNSA-N 0 0 330.344 1.420 10 0 EDAERN CCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000109033337 204276646 /nfs/dbraw/zinc/27/66/46/204276646.db2.gz MEONJYWEUISSJY-MAUKXSAKSA-N 0 0 349.475 1.988 10 0 EDAERN C[C@@]1(n2nnnc2-c2ccc(Cl)c(N)c2)CCS(=O)(=O)C1 ZINC000044932260 204311456 /nfs/dbraw/zinc/31/14/56/204311456.db2.gz GJKFJONYOYLNRC-GFCCVEGCSA-N 0 0 327.797 1.109 10 0 EDAERN CCN(CC)C(=O)CN(C)C(=O)c1cc(N)ccc1Br ZINC000045624225 204329296 /nfs/dbraw/zinc/32/92/96/204329296.db2.gz FQMDRCDQJDMUGT-UHFFFAOYSA-N 0 0 342.237 1.972 10 0 EDAERN O=C(CCOCc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111084823 204334874 /nfs/dbraw/zinc/33/48/74/204334874.db2.gz DJMHPZLIGKFCTA-KRWDZBQOSA-N 0 0 329.400 1.717 10 0 EDAERN Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1S(C)(=O)=O ZINC000195054217 139005766 /nfs/dbraw/zinc/00/57/66/139005766.db2.gz CJNWPTFEYXONIJ-OAHLLOKOSA-N 0 0 336.457 1.709 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)c1 ZINC000112063403 204380758 /nfs/dbraw/zinc/38/07/58/204380758.db2.gz CYYWLFXYZOGBAD-INIZCTEOSA-N 0 0 333.363 1.637 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)/C=C/c3cncc(F)c3)CCO2)c1 ZINC000112067372 204382808 /nfs/dbraw/zinc/38/28/08/204382808.db2.gz LIPGTAZANMNFEZ-KZSQQDEKSA-N 0 0 330.363 1.666 10 0 EDAERN CCc1nnc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1C ZINC000195076723 139006454 /nfs/dbraw/zinc/00/64/54/139006454.db2.gz WLLDWUONZRAKJR-CQSZACIVSA-N 0 0 333.480 1.848 10 0 EDAERN CCOc1ccnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000113293324 204438757 /nfs/dbraw/zinc/43/87/57/204438757.db2.gz KKLVZDVFEQZIDX-UHFFFAOYSA-N 0 0 348.428 1.386 10 0 EDAERN CCCCOC[C@H](O)CN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000195191722 139009666 /nfs/dbraw/zinc/00/96/66/139009666.db2.gz BKNHDDYSRFLMLE-GDBMZVCRSA-N 0 0 328.840 1.808 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC2 ZINC000195259751 139011781 /nfs/dbraw/zinc/01/17/81/139011781.db2.gz JONRHWAVPNEDPJ-LBPRGKRZSA-N 0 0 335.452 1.385 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)CSCC(N)=O)C2)n1 ZINC000113992525 204462843 /nfs/dbraw/zinc/46/28/43/204462843.db2.gz YLJHFJARDUPTKC-JTQLQIEISA-N 0 0 327.475 1.630 10 0 EDAERN O=C(CN1CCCC[C@H]1c1nccs1)NCC(=O)N1CCCC1 ZINC000195361347 139015390 /nfs/dbraw/zinc/01/53/90/139015390.db2.gz MWLUZEHVAVWSQQ-ZDUSSCGKSA-N 0 0 336.461 1.409 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)NCc1cccs1 ZINC000195519743 139019476 /nfs/dbraw/zinc/01/94/76/139019476.db2.gz IUMQMOMULWXJQE-UHFFFAOYSA-N 0 0 327.431 1.196 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccccc2S(=O)(=O)C(C)C)c1 ZINC000117816236 204578508 /nfs/dbraw/zinc/57/85/08/204578508.db2.gz JMCUQYMYMWWDBR-UHFFFAOYSA-N 0 0 335.429 1.804 10 0 EDAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NCCn2cc(C)cn2)c1 ZINC000118016450 204583367 /nfs/dbraw/zinc/58/33/67/204583367.db2.gz OELVKUIIARQFCU-ZDUSSCGKSA-N 0 0 345.403 1.987 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(OCC(C)C)nc2)c1 ZINC000118133405 204589721 /nfs/dbraw/zinc/58/97/21/204589721.db2.gz IUGKUNFUOIUTCP-UHFFFAOYSA-N 0 0 345.403 1.376 10 0 EDAERN CC(C)C[C@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050653643 204841481 /nfs/dbraw/zinc/84/14/81/204841481.db2.gz RXGNFYQLHOKBAB-JTQLQIEISA-N 0 0 334.463 1.385 10 0 EDAERN COCc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000122995638 204896564 /nfs/dbraw/zinc/89/65/64/204896564.db2.gz REHWGHTVFDLOTE-HNAYVOBHSA-N 0 0 346.427 1.925 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1c[nH]nc1-c1c(F)cccc1F ZINC000125690061 205021892 /nfs/dbraw/zinc/02/18/92/205021892.db2.gz BRQYNQWPSQJQLO-VIFPVBQESA-N 0 0 344.325 1.691 10 0 EDAERN O=C(Nc1ccc2ccccc2c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633359 284340557 /nfs/dbraw/zinc/34/05/57/284340557.db2.gz YGBBAVDPZXUIQF-OAHLLOKOSA-N 0 0 335.367 1.501 10 0 EDAERN COCCN1CCN(C(=O)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000126486522 205059670 /nfs/dbraw/zinc/05/96/70/205059670.db2.gz OSEGPXSFWAXBBQ-LLVKDONJSA-N 0 0 330.350 1.826 10 0 EDAERN Cc1sc(=O)n(CCC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1C ZINC000126741388 205069813 /nfs/dbraw/zinc/06/98/13/205069813.db2.gz HKXAZDIWBPPZBN-CQSZACIVSA-N 0 0 349.460 1.447 10 0 EDAERN NC(=O)COc1cccc(-c2nn3c(nnc3C(F)(F)F)s2)c1 ZINC000226298160 205124314 /nfs/dbraw/zinc/12/43/14/205124314.db2.gz YPWVQBIBSUVCJM-UHFFFAOYSA-N 0 0 343.290 1.736 10 0 EDAERN CC(C)N1CC[C@@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1=O ZINC000128891028 205169044 /nfs/dbraw/zinc/16/90/44/205169044.db2.gz MZAXKIXVVMIWDA-OAHLLOKOSA-N 0 0 333.436 1.314 10 0 EDAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCCN(c2cccnn2)CC1 ZINC000129435214 205195096 /nfs/dbraw/zinc/19/50/96/205195096.db2.gz AXGHOLAHHYGRJO-UHFFFAOYSA-N 0 0 349.398 1.614 10 0 EDAERN Cc1ccc(Br)c(-n2cc(C[C@H]([NH3+])C(=O)[O-])nn2)c1 ZINC000157612499 205229168 /nfs/dbraw/zinc/22/91/68/205229168.db2.gz VSWBFTOEUVFOIH-JTQLQIEISA-N 0 0 325.166 1.293 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cnc1Cl ZINC000130505680 205243882 /nfs/dbraw/zinc/24/38/82/205243882.db2.gz QNTLMNPJYZERAB-LBPRGKRZSA-N 0 0 348.794 1.437 10 0 EDAERN CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000133107133 205356249 /nfs/dbraw/zinc/35/62/49/205356249.db2.gz DAPRWLKOWZDUSX-HNNXBMFYSA-N 0 0 336.432 1.287 10 0 EDAERN C[S@@](=O)CCn1nnnc1-c1cccc(N)c1Br ZINC000159022945 205393081 /nfs/dbraw/zinc/39/30/81/205393081.db2.gz JWUNFEAYPQGQGF-SFHVURJKSA-N 0 0 330.211 1.063 10 0 EDAERN CN(CC(F)F)S(=O)(=O)c1ccc(N)c(Br)c1 ZINC000136760584 205512073 /nfs/dbraw/zinc/51/20/73/205512073.db2.gz ZQBBUKJIZXTUHP-UHFFFAOYSA-N 0 0 329.166 1.917 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCC(=O)OC(C)(C)C ZINC000152039047 205700301 /nfs/dbraw/zinc/70/03/01/205700301.db2.gz AABLBHXTDSNYFR-LBPRGKRZSA-N 0 0 337.424 1.795 10 0 EDAERN CCCc1cc(N[C@H]2CCCn3nc(COC)nc32)n2ncnc2n1 ZINC000153277535 205832557 /nfs/dbraw/zinc/83/25/57/205832557.db2.gz DSKNNUOOMWAHMD-LBPRGKRZSA-N 0 0 342.407 1.762 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(F)ccc1OC ZINC000155305681 206000833 /nfs/dbraw/zinc/00/08/33/206000833.db2.gz SUQPZWNNALDUAE-LBPRGKRZSA-N 0 0 334.351 1.837 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccccc1Br)[S@](C)=O ZINC000156201822 206063047 /nfs/dbraw/zinc/06/30/47/206063047.db2.gz LAGKQGIKNXWGQD-ZKANADHPSA-N 0 0 340.264 1.494 10 0 EDAERN C[C@H](NC(=O)N1CCO[C@@H](C)[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000156716020 206093525 /nfs/dbraw/zinc/09/35/25/206093525.db2.gz PUSJWFLQWPEZQO-AVGNSLFASA-N 0 0 340.445 1.970 10 0 EDAERN CCOC(=O)c1ccc(CN2CCO[C@H](c3nnc(CC)[nH]3)C2)o1 ZINC000156714742 206094099 /nfs/dbraw/zinc/09/40/99/206094099.db2.gz SBNWBFYRHJTVFG-ZDUSSCGKSA-N 0 0 334.376 1.710 10 0 EDAERN CC(C)[C@H](O)CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000157283117 206126298 /nfs/dbraw/zinc/12/62/98/206126298.db2.gz FOBWFHFDLYTIGY-MRXNPFEDSA-N 0 0 333.432 1.420 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)C3(CCOC)CC3)CC2)n1 ZINC000161735161 206132610 /nfs/dbraw/zinc/13/26/10/206132610.db2.gz DNNJDCYOKYFUPH-UHFFFAOYSA-N 0 0 348.447 1.649 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000158361258 206185643 /nfs/dbraw/zinc/18/56/43/206185643.db2.gz MDSZQUHKSMVSNJ-KRWDZBQOSA-N 0 0 347.459 1.249 10 0 EDAERN CCn1ncc(N[C@@H](C)CC[S@](C)=O)c(Br)c1=O ZINC000158802809 206211794 /nfs/dbraw/zinc/21/17/94/206211794.db2.gz GJCIQQUVCFUKDP-DCXZOGHSSA-N 0 0 336.255 1.595 10 0 EDAERN CCN1CCO[C@H](CNc2ncc(I)cn2)C1 ZINC000159050671 206222514 /nfs/dbraw/zinc/22/25/14/206222514.db2.gz JQRCEVPNZGXRNZ-SNVBAGLBSA-N 0 0 348.188 1.214 10 0 EDAERN CS(=O)(=O)NCCNc1ncc(Cl)cc1Br ZINC000159548428 206251514 /nfs/dbraw/zinc/25/15/14/206251514.db2.gz BXRZQMQDZFIWCX-UHFFFAOYSA-N 0 0 328.619 1.459 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@H]2CSCCS2)C[C@@H]1N1CCOCC1 ZINC000246671242 139117239 /nfs/dbraw/zinc/11/72/39/139117239.db2.gz LJKWJDUTQUZKEL-RDBSUJKOSA-N 0 0 330.519 1.404 10 0 EDAERN CN(C(=O)NC[C@H]1CCCOC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246795779 139121969 /nfs/dbraw/zinc/12/19/69/139121969.db2.gz QJNBEROYUFWRTJ-HUUCEWRRSA-N 0 0 333.436 1.513 10 0 EDAERN COC1(C(=O)Cc2c(Br)c(C)nn2C)CCOCC1 ZINC000160870311 206316405 /nfs/dbraw/zinc/31/64/05/206316405.db2.gz OMXSMEANFNTERL-UHFFFAOYSA-N 0 0 331.210 1.798 10 0 EDAERN CN1CCN(c2nc(Br)cc(Br)n2)CC1 ZINC000160964678 206321035 /nfs/dbraw/zinc/32/10/35/206321035.db2.gz UIGPINUGBJXVKY-UHFFFAOYSA-N 0 0 336.031 1.753 10 0 EDAERN CC(C)c1nnsc1[C@@H](NN)c1c(Br)cnn1C ZINC000162084229 206383726 /nfs/dbraw/zinc/38/37/26/206383726.db2.gz YPDKJKOGGNKOKQ-QMMMGPOBSA-N 0 0 331.243 1.710 10 0 EDAERN O=C(c1cc(-n2ccnc2)ccn1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000329466558 284606385 /nfs/dbraw/zinc/60/63/85/284606385.db2.gz WAIZLZPZZBENLV-AWEZNQCLSA-N 0 0 340.305 1.797 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000247204105 139140275 /nfs/dbraw/zinc/14/02/75/139140275.db2.gz PGBYYMFCPOXEJL-YESZJQIVSA-N 0 0 325.497 1.819 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2cccc(C)c2)C[C@@H]1C ZINC000247231622 139141551 /nfs/dbraw/zinc/14/15/51/139141551.db2.gz WJXQDARMNKQAGC-HNNXBMFYSA-N 0 0 326.462 1.477 10 0 EDAERN CCOC(=O)CN1C(=O)C[C@@H](Cc2cccc3cccnc32)C1=O ZINC000169941301 206567078 /nfs/dbraw/zinc/56/70/78/206567078.db2.gz LVMUFFRCUKIXIT-CQSZACIVSA-N 0 0 326.352 1.716 10 0 EDAERN COCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCOCC2)C1=O ZINC000169985170 206567453 /nfs/dbraw/zinc/56/74/53/206567453.db2.gz PGSFQBCHCKWFDG-UHFFFAOYSA-N 0 0 348.374 1.274 10 0 EDAERN Cc1ccc(C2=C(N3CCC[C@H](CO)C3)C(=O)N(C)C2=O)cc1C ZINC000169999281 206567684 /nfs/dbraw/zinc/56/76/84/206567684.db2.gz XGPNWPFNLWACIU-AWEZNQCLSA-N 0 0 328.412 1.717 10 0 EDAERN CNS(=O)(=O)c1ccc(NC(=O)c2cnccc2Cl)cc1 ZINC000169272085 206549417 /nfs/dbraw/zinc/54/94/17/206549417.db2.gz DJDVRKHDDBEEJY-UHFFFAOYSA-N 0 0 325.777 1.895 10 0 EDAERN CCn1cc([C@@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)cn1 ZINC000248693475 139171875 /nfs/dbraw/zinc/17/18/75/139171875.db2.gz BFWCERQMCMKJAP-WBVHZDCISA-N 0 0 335.404 1.447 10 0 EDAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)Nc3cc(C)no3)CCO2)cn1 ZINC000248829727 139176796 /nfs/dbraw/zinc/17/67/96/139176796.db2.gz YGMPHGKUSXQGAL-OCCSQVGLSA-N 0 0 333.392 1.600 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCO[C@@H](C3CC3)C1)CC2 ZINC000248880458 139178921 /nfs/dbraw/zinc/17/89/21/139178921.db2.gz ROJJPAUCAKHONR-RRFJBIMHSA-N 0 0 347.463 1.973 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000249363821 139191781 /nfs/dbraw/zinc/19/17/81/139191781.db2.gz UAZBTENZOIYROM-GJZGRUSLSA-N 0 0 344.371 1.777 10 0 EDAERN C[C@H](C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1)N1CCSCC1 ZINC000249486624 139194049 /nfs/dbraw/zinc/19/40/49/139194049.db2.gz CWWQIZSVFGHAGU-VHDGCEQUSA-N 0 0 340.514 1.720 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(COC)c1 ZINC000249681598 139197006 /nfs/dbraw/zinc/19/70/06/139197006.db2.gz BSYIJOARJRHYBM-OAHLLOKOSA-N 0 0 340.445 1.976 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000252442278 139204424 /nfs/dbraw/zinc/20/44/24/139204424.db2.gz RSXYDKWVBSKKHU-HUUCEWRRSA-N 0 0 347.463 1.125 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3cc(C)on3)C2=O)n(C)n1 ZINC000174276504 207006780 /nfs/dbraw/zinc/00/67/80/207006780.db2.gz YUOUPXHNDAKRKV-NSHDSACASA-N 0 0 332.364 1.342 10 0 EDAERN CS(=O)(=O)CCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174664570 207044557 /nfs/dbraw/zinc/04/45/57/207044557.db2.gz RTKZPGURFLOLHU-LSDHHAIUSA-N 0 0 340.445 1.329 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@H](O)c3ccccc3)CC2)n1 ZINC000174805137 207061487 /nfs/dbraw/zinc/06/14/87/207061487.db2.gz AXQYFLNODJQKLC-XJKSGUPXSA-N 0 0 344.415 1.571 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3cccs3)C2=O)n(C)n1 ZINC000174979899 207079030 /nfs/dbraw/zinc/07/90/30/207079030.db2.gz WZIQUXYYFMRLRZ-ZDUSSCGKSA-N 0 0 332.429 1.644 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnc(C)s3)C2=O)n(C)n1 ZINC000174985214 207080852 /nfs/dbraw/zinc/08/08/52/207080852.db2.gz WHSMXRAIESSJBQ-NSHDSACASA-N 0 0 333.417 1.419 10 0 EDAERN COC(=O)c1ccc(NC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000175002356 207082038 /nfs/dbraw/zinc/08/20/38/207082038.db2.gz WFUPFAFAGVVQKO-AWEZNQCLSA-N 0 0 329.360 1.934 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccccc3O)C2=O)n(C)n1 ZINC000175421245 207124857 /nfs/dbraw/zinc/12/48/57/207124857.db2.gz MBKBXYZJUCRXBZ-CYBMUJFWSA-N 0 0 328.372 1.360 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000175902290 207170661 /nfs/dbraw/zinc/17/06/61/207170661.db2.gz NRTIUXLCQIGIFL-SGMGOOAPSA-N 0 0 338.429 1.387 10 0 EDAERN CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176609313 207243024 /nfs/dbraw/zinc/24/30/24/207243024.db2.gz YPRFYXLCHODZMR-LBPRGKRZSA-N 0 0 329.360 1.683 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](CC(N)=O)C1CCCCC1 ZINC000176792511 207262386 /nfs/dbraw/zinc/26/23/86/207262386.db2.gz XKMPUJSOFDXGHI-DGCLKSJQSA-N 0 0 335.404 1.338 10 0 EDAERN CC(=O)Nc1ccc(CCNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177321866 207320625 /nfs/dbraw/zinc/32/06/25/207320625.db2.gz ZUBVLCPUUMGXPZ-HNNXBMFYSA-N 0 0 342.403 1.613 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000177241397 207312697 /nfs/dbraw/zinc/31/26/97/207312697.db2.gz CTVZKLRGHPPMDO-ZDUSSCGKSA-N 0 0 349.416 1.647 10 0 EDAERN C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)Oc1ccccc1Br ZINC000177264107 207314127 /nfs/dbraw/zinc/31/41/27/207314127.db2.gz SUBQTNNQJZZVMH-VHSXEESVSA-N 0 0 341.205 1.469 10 0 EDAERN Cc1ccccc1[C@H](CC(=O)N[C@@H]1CCCn2ncnc21)NC(N)=O ZINC000177565239 207355558 /nfs/dbraw/zinc/35/55/58/207355558.db2.gz UPWOIWSHZNFKKQ-KGLIPLIRSA-N 0 0 342.403 1.337 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(C)CCC2)ncn1 ZINC000177578823 207358805 /nfs/dbraw/zinc/35/88/05/207358805.db2.gz SBKIITFDKBTMFF-CYBMUJFWSA-N 0 0 332.452 1.977 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C)CCN1C[C@@H](C)O ZINC000177611739 207363556 /nfs/dbraw/zinc/36/35/56/207363556.db2.gz JRGOVPQXGLCPQE-CVEARBPZSA-N 0 0 347.459 1.546 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000177651613 207369036 /nfs/dbraw/zinc/36/90/36/207369036.db2.gz YWMGTFOBXADJCE-MRXNPFEDSA-N 0 0 342.399 1.312 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000177722802 207383899 /nfs/dbraw/zinc/38/38/99/207383899.db2.gz KRABWOWIKUMRMH-ZFWWWQNUSA-N 0 0 343.362 1.870 10 0 EDAERN C[C@@H](O)CCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000178279073 207464719 /nfs/dbraw/zinc/46/47/19/207464719.db2.gz QPPOMVJXTKMYQK-NEPJUHHUSA-N 0 0 328.434 1.563 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1cccs1 ZINC000178694429 207521933 /nfs/dbraw/zinc/52/19/33/207521933.db2.gz XSPKOISWUVGUFW-WDEREUQCSA-N 0 0 331.463 1.532 10 0 EDAERN O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@H]1CCc2ncnn2C1 ZINC000178991824 207562318 /nfs/dbraw/zinc/56/23/18/207562318.db2.gz SUDAIRKUBMHRNS-JTQLQIEISA-N 0 0 344.799 1.505 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(NC(N)=O)c2)C[C@@H]1C ZINC000117281778 221041128 /nfs/dbraw/zinc/04/11/28/221041128.db2.gz IDOSGJPZAKMWRK-ZDUSSCGKSA-N 0 0 334.420 1.360 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(OC)c2OC)C[C@@H]1C ZINC000117275337 221041898 /nfs/dbraw/zinc/04/18/98/221041898.db2.gz VSWPJAYFCBUIFS-AWEZNQCLSA-N 0 0 336.432 1.887 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1C ZINC000117283803 221043046 /nfs/dbraw/zinc/04/30/46/221043046.db2.gz FQHTXXPGBCGVIN-CQSZACIVSA-N 0 0 331.420 1.221 10 0 EDAERN COCCN1CCN(C(=O)c2cc(-c3ccncc3)on2)C[C@@H]1C ZINC000117296358 221047756 /nfs/dbraw/zinc/04/77/56/221047756.db2.gz JNYOSAKBUUYMSQ-ZDUSSCGKSA-N 0 0 330.388 1.529 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000117521701 221073291 /nfs/dbraw/zinc/07/32/91/221073291.db2.gz BITHUQYOWVTPFT-CYBMUJFWSA-N 0 0 337.395 1.333 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CCN(CCOC)[C@@H](CC)C2)c1 ZINC000117526850 221074110 /nfs/dbraw/zinc/07/41/10/221074110.db2.gz BKNHBEURSGDSNX-KRWDZBQOSA-N 0 0 347.459 1.757 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@H]2CCCc3cc(F)ccc32)cn1 ZINC000119268155 221280859 /nfs/dbraw/zinc/28/08/59/221280859.db2.gz PVHPMYNRWCIHBT-HNNXBMFYSA-N 0 0 345.378 1.967 10 0 EDAERN C[C@@H](NC(=O)c1ccc(-c2ncn(C)n2)cc1)C(=O)N1CCCCC1 ZINC000183310338 533282505 /nfs/dbraw/zinc/28/25/05/533282505.db2.gz APMAQRWMLHWPPN-CYBMUJFWSA-N 0 0 341.415 1.613 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000190016846 533542963 /nfs/dbraw/zinc/54/29/63/533542963.db2.gz AGUPTJOHPMQIFA-KBMXLJTQSA-N 0 0 343.383 1.980 10 0 EDAERN Cc1cc(CC(=O)N2CCc3ccc(N4CCOCC4)cc32)no1 ZINC000062526303 132805344 /nfs/dbraw/zinc/80/53/44/132805344.db2.gz FHHIFLKLADFBAQ-UHFFFAOYSA-N 0 0 327.384 1.951 10 0 EDAERN Cc1cccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000013700290 135702300 /nfs/dbraw/zinc/70/23/00/135702300.db2.gz FUQOFZYHMIZIIP-UHFFFAOYSA-N 0 0 337.387 1.787 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000329810069 140766549 /nfs/dbraw/zinc/76/65/49/140766549.db2.gz BGMNJTVLOABCCY-XQQFMLRXSA-N 0 0 336.392 1.956 10 0 EDAERN Cc1cccc(NC(=O)NCC(=O)N2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000333383888 141309579 /nfs/dbraw/zinc/30/95/79/141309579.db2.gz XYIFGYYRSHVNRH-ZDUSSCGKSA-N 0 0 342.403 1.641 10 0 EDAERN Cc1cccc2[nH]c(CCC(=O)N3CCN4C(=O)N=NC4C3)nc21 ZINC000333468993 141322331 /nfs/dbraw/zinc/32/23/31/141322331.db2.gz RAPXWZDEUFZRAS-UHFFFAOYSA-N 0 0 326.360 1.143 10 0 EDAERN O=C1[C@@H](NS(=O)(=O)[C@H]2CCCOC2)CCCN1C1CCCCC1 ZINC000333601248 141343230 /nfs/dbraw/zinc/34/32/30/141343230.db2.gz YPVRRMFGWIZZSG-GJZGRUSLSA-N 0 0 344.477 1.409 10 0 EDAERN CO[C@@H](C(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1)C1CC1 ZINC000334125054 141452604 /nfs/dbraw/zinc/45/26/04/141452604.db2.gz ONWAMCJRVWXNFQ-XJKSGUPXSA-N 0 0 343.383 1.122 10 0 EDAERN CCOC(=O)[C@H]1[C@@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004264445 285946005 /nfs/dbraw/zinc/94/60/05/285946005.db2.gz GDGRQDVRZXBEGA-GIPNMCIBSA-N 0 0 332.278 1.471 10 0 EDAERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCCn3nc(COC)nc32)CCO1 ZINC000248619575 148978591 /nfs/dbraw/zinc/97/85/91/148978591.db2.gz XRMBTQZQKOWUMV-MCIONIFRSA-N 0 0 336.436 1.971 10 0 EDAERN O=C([C@@H]1CC[C@@H](C(=O)N2CCCCCO2)O1)N1CCCCCO1 ZINC000329942967 304359388 /nfs/dbraw/zinc/35/93/88/304359388.db2.gz DEWLVROOXULYAB-KBPBESRZSA-N 0 0 326.393 1.422 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccnc3c(C(N)=O)cnn31)[C@@H](C)C2 ZINC000181111348 292366466 /nfs/dbraw/zinc/36/64/66/292366466.db2.gz LDQVLLLSRKJZOU-MEDUHNTESA-N 0 0 349.394 1.800 10 0 EDAERN Cn1ncnc1[C@H]1COCCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000375221913 157521722 /nfs/dbraw/zinc/52/17/22/157521722.db2.gz HNTPXGJPHSEGIH-OAHLLOKOSA-N 0 0 338.371 1.215 10 0 EDAERN CC[C@@H](COC)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172395204 286849496 /nfs/dbraw/zinc/84/94/96/286849496.db2.gz SJYZAEXNVBXPHR-AAEUAGOBSA-N 0 0 328.434 1.875 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C[C@@H](C)NC(=O)C2CCCCC2)C1 ZINC000066317636 287242558 /nfs/dbraw/zinc/24/25/58/287242558.db2.gz SOVSMDNMTACRMK-CJNGLKHVSA-N 0 0 337.464 1.589 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[C@H](OCC)C(C)C ZINC000074293263 287270140 /nfs/dbraw/zinc/27/01/40/287270140.db2.gz FLUVLEZYCJLUIS-GJZGRUSLSA-N 0 0 348.509 1.758 10 0 EDAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000080622773 287307985 /nfs/dbraw/zinc/30/79/85/287307985.db2.gz VJOAVDUNHOEZME-SWLSCSKDSA-N 0 0 346.431 1.957 10 0 EDAERN COCCOCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171800726 292582674 /nfs/dbraw/zinc/58/26/74/292582674.db2.gz DZQMZVKZVMZWAI-RDJZCZTQSA-N 0 0 334.416 1.375 10 0 EDAERN NC(=O)CN(Cc1cccc(N)c1)Cc1ccc(Br)cn1 ZINC000167084709 226179769 /nfs/dbraw/zinc/17/97/69/226179769.db2.gz YQZAPRFLLJOEAK-UHFFFAOYSA-N 0 0 349.232 1.914 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)NCCOCC(C)C ZINC000167399759 226189471 /nfs/dbraw/zinc/18/94/71/226189471.db2.gz ORPHKFJQKFVRBZ-UHFFFAOYSA-N 0 0 330.475 1.580 10 0 EDAERN COC[C@@H](C)n1cnc(Cl)c(I)c1=O ZINC000166340199 226155013 /nfs/dbraw/zinc/15/50/13/226155013.db2.gz CIZUUYWEWGRMHJ-RXMQYKEDSA-N 0 0 328.537 1.709 10 0 EDAERN O=C(c1cc(Br)cn1C1CC1)N1CCOC[C@@H]1CO ZINC000168170560 226210123 /nfs/dbraw/zinc/21/01/23/226210123.db2.gz GBDLMPLWTICWPP-NSHDSACASA-N 0 0 329.194 1.419 10 0 EDAERN O=C1Cc2cc([C@@H](O)[C@H]3CCCCS3(=O)=O)c(Cl)cc2N1 ZINC000168922127 226228177 /nfs/dbraw/zinc/22/81/77/226228177.db2.gz WEKNOZCBNITGSS-TZMCWYRMSA-N 0 0 329.805 1.835 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000126954916 287430565 /nfs/dbraw/zinc/43/05/65/287430565.db2.gz KDAAHYXGAIFYEV-CYBMUJFWSA-N 0 0 349.435 1.937 10 0 EDAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)co1 ZINC000120423793 221575157 /nfs/dbraw/zinc/57/51/57/221575157.db2.gz WXRUVYNGMQBSTG-CHWSQXEVSA-N 0 0 342.417 1.314 10 0 EDAERN COCCN1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1=O ZINC000121544173 221871784 /nfs/dbraw/zinc/87/17/84/221871784.db2.gz JOCGOJOYWWPSFG-DZGCQCFKSA-N 0 0 346.427 1.900 10 0 EDAERN COC(=O)[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)c1ccccc1 ZINC000122110146 222015985 /nfs/dbraw/zinc/01/59/85/222015985.db2.gz VGCPRKQLWUXKSO-HNNXBMFYSA-N 0 0 337.339 1.306 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000188535919 272957864 /nfs/dbraw/zinc/95/78/64/272957864.db2.gz LQPOMLUGLFHXEQ-DZKIICNBSA-N 0 0 345.443 1.520 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cn(C)nc1-c1ccccc1OC)C(C)C ZINC000178863407 267593517 /nfs/dbraw/zinc/59/35/17/267593517.db2.gz BQIUYAJOEYUWGN-OAHLLOKOSA-N 0 0 344.415 1.596 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccc([S@](C)=O)c(F)c1)C(C)C ZINC000178953743 267600321 /nfs/dbraw/zinc/60/03/21/267600321.db2.gz PQIPCXSBFPHOHM-IPQOISQHSA-N 0 0 329.397 1.455 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)[C@H]3CCOC[C@@H]3C)CC2)cn1 ZINC000192530523 267826664 /nfs/dbraw/zinc/82/66/64/267826664.db2.gz OCWFOSOLIHDHLV-RDJZCZTQSA-N 0 0 334.464 1.610 10 0 EDAERN C[C@H](CCNC(=O)NCc1ccnn1C)NC(=O)OC(C)(C)C ZINC000195162007 267885219 /nfs/dbraw/zinc/88/52/19/267885219.db2.gz LAQDYFWFUINANM-LLVKDONJSA-N 0 0 325.413 1.523 10 0 EDAERN Cc1cnn(CCNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000255040912 287828025 /nfs/dbraw/zinc/82/80/25/287828025.db2.gz BJWLFANBORTVDL-YVMONPNESA-N 0 0 348.428 1.393 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2OCCc3ccccc32)C[C@H]1C ZINC000246250843 276319974 /nfs/dbraw/zinc/31/99/74/276319974.db2.gz JKNQEZLIRHWZEV-CRAIPNDOSA-N 0 0 332.444 1.870 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cn1 ZINC000178922281 276697200 /nfs/dbraw/zinc/69/72/00/276697200.db2.gz JTBXXLTYXIJUHF-ZDUSSCGKSA-N 0 0 326.356 1.618 10 0 EDAERN COCCN1CCN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000247082401 277224502 /nfs/dbraw/zinc/22/45/02/277224502.db2.gz LLPPEAKPVQWTTO-AUUYWEPGSA-N 0 0 346.427 1.337 10 0 EDAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000093223399 277289078 /nfs/dbraw/zinc/28/90/78/277289078.db2.gz MREPRKVVJNLMGS-UGSOOPFHSA-N 0 0 348.447 1.730 10 0 EDAERN CC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000171789762 278038435 /nfs/dbraw/zinc/03/84/35/278038435.db2.gz ZCGQTHOOIXYHQK-WMZOPIPTSA-N 0 0 343.427 1.287 10 0 EDAERN CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000249739264 278145383 /nfs/dbraw/zinc/14/53/83/278145383.db2.gz XDYFNCIKFVIVTE-CKEIUWERSA-N 0 0 329.444 1.953 10 0 EDAERN CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000080025145 278179248 /nfs/dbraw/zinc/17/92/48/278179248.db2.gz AHOZGDBKWDCTKN-WFASDCNBSA-N 0 0 331.416 1.817 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c2c(n1)onc2C(C)C ZINC000172002792 278648946 /nfs/dbraw/zinc/64/89/46/278648946.db2.gz VAFMKGRLPIRDSW-LLVKDONJSA-N 0 0 340.387 1.991 10 0 EDAERN C[C@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1N1CCOCC1 ZINC000173815791 279815165 /nfs/dbraw/zinc/81/51/65/279815165.db2.gz IXJMVVGSQQTGHB-SUMWQHHRSA-N 0 0 341.411 1.321 10 0 EDAERN C[C@]1(C(=O)N2CCN3CCCC[C@H]3C2)Cc2ccccc2C(=O)O1 ZINC000253359223 280145566 /nfs/dbraw/zinc/14/55/66/280145566.db2.gz KGPUAFWTMQEIIL-HNAYVOBHSA-N 0 0 328.412 1.855 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@@H](C)C2 ZINC000180590909 281094923 /nfs/dbraw/zinc/09/49/23/281094923.db2.gz WAYZRIVVNCKHNO-ZBEGNZNMSA-N 0 0 347.440 1.644 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N2CC(O)(C3CC3)C2)[C@H]1c1cccc(Cl)c1 ZINC000329914386 289817412 /nfs/dbraw/zinc/81/74/12/289817412.db2.gz PCVFXLHDROKILJ-GDBMZVCRSA-N 0 0 348.830 1.843 10 0 EDAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C3CCCC3)C[C@@H]21 ZINC000328870681 290082774 /nfs/dbraw/zinc/08/27/74/290082774.db2.gz IBMRQNUZXXMCRE-YESZJQIVSA-N 0 0 349.475 1.099 10 0 EDAERN COC[C@H](NC(=O)N1C[C@]2(CCCO2)[C@H]1C(C)C)[C@@H]1CCCO1 ZINC000333696423 293132959 /nfs/dbraw/zinc/13/29/59/293132959.db2.gz BLVIIPTUIXPLJL-LJIGWXMPSA-N 0 0 326.437 1.779 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000091782155 295159116 /nfs/dbraw/zinc/15/91/16/295159116.db2.gz LESPOSZOHGFLCX-SNVBAGLBSA-N 0 0 334.319 1.625 10 0 EDAERN CCn1nccc1CN1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 ZINC000547690724 306108281 /nfs/dbraw/zinc/10/82/81/306108281.db2.gz ACFCFMPSEDUGJP-INIZCTEOSA-N 0 0 333.461 1.905 10 0 EDAERN CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000045034082 440940099 /nfs/dbraw/zinc/94/00/99/440940099.db2.gz RIQYPCORHAECLZ-OAHLLOKOSA-N 0 0 346.475 1.773 10 0 EDAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000104008665 441187223 /nfs/dbraw/zinc/18/72/23/441187223.db2.gz BCPDSUIHNRRKFC-NFAWXSAZSA-N 0 0 344.419 1.489 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000105819922 441277371 /nfs/dbraw/zinc/27/73/71/441277371.db2.gz UXJZHLAPRPUVKO-JTQLQIEISA-N 0 0 345.230 1.718 10 0 EDAERN CCN(CC)C(=O)[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865851 441296280 /nfs/dbraw/zinc/29/62/80/441296280.db2.gz HWMYRZRIBYLWTC-INIZCTEOSA-N 0 0 335.496 1.411 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)N(C)c1ccccc1 ZINC000061944056 441292744 /nfs/dbraw/zinc/29/27/44/441292744.db2.gz QONHWQPKCIZODB-HZPDHXFCSA-N 0 0 334.464 1.531 10 0 EDAERN CCOc1ccnc(N2CCN([C@H](C)C(=O)NCCC(C)C)CC2)n1 ZINC000106152388 441326924 /nfs/dbraw/zinc/32/69/24/441326924.db2.gz ALMNQQIDADWDLO-OAHLLOKOSA-N 0 0 349.479 1.548 10 0 EDAERN CN(CC(=O)NC(C)(C)C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874451 441302570 /nfs/dbraw/zinc/30/25/70/441302570.db2.gz VPAWAUJCHSVRBD-AWEZNQCLSA-N 0 0 339.505 1.968 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000105903477 441313352 /nfs/dbraw/zinc/31/33/52/441313352.db2.gz LIYVVIDELLGFLE-OAHLLOKOSA-N 0 0 338.452 1.092 10 0 EDAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081812707 441318139 /nfs/dbraw/zinc/31/81/39/441318139.db2.gz AVKLODJFGGGLTA-RYUDHWBXSA-N 0 0 337.424 1.841 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)cc1F ZINC000083755118 441375884 /nfs/dbraw/zinc/37/58/84/441375884.db2.gz DBYJAUYQBRSFFC-LBPRGKRZSA-N 0 0 335.314 1.455 10 0 EDAERN COCCN=C1Nc2ccccc2CN[C@@]12CCN(C(=O)C(C)C)C2 ZINC000065265741 441411529 /nfs/dbraw/zinc/41/15/29/441411529.db2.gz QFJJKGKNGLXCEM-LJQANCHMSA-N 0 0 344.459 1.683 10 0 EDAERN Cn1c(Cc2nc(N3CCOCC3)cc(=O)[nH]2)nc2ccccc21 ZINC000084727627 441416147 /nfs/dbraw/zinc/41/61/47/441416147.db2.gz XLESLWHDVUIEMT-UHFFFAOYSA-N 0 0 325.372 1.084 10 0 in-vitro EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000028693077 441436506 /nfs/dbraw/zinc/43/65/06/441436506.db2.gz UAUJFKGOOMVSRE-CQSZACIVSA-N 0 0 342.399 1.137 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)NCCCOc1cccc(C)c1 ZINC000052307513 441446465 /nfs/dbraw/zinc/44/64/65/441446465.db2.gz IRKWLUMDSUCBCL-KRWDZBQOSA-N 0 0 348.443 1.908 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(-n2cccn2)ccn1 ZINC000087562948 441493604 /nfs/dbraw/zinc/49/36/04/441493604.db2.gz PJDIEBSMIQVKQQ-CYBMUJFWSA-N 0 0 337.387 1.686 10 0 EDAERN COCCn1nc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)ccc1=O ZINC000088233948 441499370 /nfs/dbraw/zinc/49/93/70/441499370.db2.gz VKXKJVZZKWWCQS-LBPRGKRZSA-N 0 0 333.363 1.828 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)[C@@H](C)OCC3CC3)CC2)n1 ZINC000109654496 441502631 /nfs/dbraw/zinc/50/26/31/441502631.db2.gz WNYIMTPSBPATJJ-CQSZACIVSA-N 0 0 348.447 1.647 10 0 EDAERN COc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)ccc1OC(C)C ZINC000112661495 441554060 /nfs/dbraw/zinc/55/40/60/441554060.db2.gz GVSSOCQKBBZDQG-CYBMUJFWSA-N 0 0 330.388 1.819 10 0 EDAERN COc1ccc(C(C)(C)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112746813 441557740 /nfs/dbraw/zinc/55/77/40/441557740.db2.gz FDBAAJWYYZZGCC-AWEZNQCLSA-N 0 0 343.431 1.879 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccccc1C(F)(F)F ZINC000113299141 441599779 /nfs/dbraw/zinc/59/97/79/441599779.db2.gz ZFQWNZJCXZDETE-VIFPVBQESA-N 0 0 346.334 1.590 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000113298861 441600200 /nfs/dbraw/zinc/60/02/00/441600200.db2.gz OKKOJVIHKFQYCC-MRVPVSSYSA-N 0 0 347.227 1.878 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(Cl)c1 ZINC000113299057 441600207 /nfs/dbraw/zinc/60/02/07/441600207.db2.gz IUCYWNSIQBXZKP-MRVPVSSYSA-N 0 0 330.772 1.364 10 0 EDAERN CC(=O)N[C@H]1CCCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000076513125 441654480 /nfs/dbraw/zinc/65/44/80/441654480.db2.gz NNVSBNFHZAKPQW-DLBZAZTESA-N 0 0 334.416 1.229 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1COc3ccccc31)CC2 ZINC000114948273 441701185 /nfs/dbraw/zinc/70/11/85/441701185.db2.gz RRLNTENKQQQBBL-YPMHNXCESA-N 0 0 327.388 1.588 10 0 EDAERN COC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1F)C(C)C ZINC000114552314 441667031 /nfs/dbraw/zinc/66/70/31/441667031.db2.gz KSJNOXFYGMLSNT-CZUORRHYSA-N 0 0 344.358 1.669 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCNC(=O)C(C)C ZINC000114583606 441667442 /nfs/dbraw/zinc/66/74/42/441667442.db2.gz MVCMIZSXAQCCSB-CQSZACIVSA-N 0 0 335.452 1.656 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000121560331 441731135 /nfs/dbraw/zinc/73/11/35/441731135.db2.gz QLMVSXNQRYUAJT-ZDUSSCGKSA-N 0 0 347.390 1.196 10 0 EDAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000115382554 441733661 /nfs/dbraw/zinc/73/36/61/441733661.db2.gz CYFDIHZBUPUXHE-LLVKDONJSA-N 0 0 343.416 1.188 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000136962624 441734358 /nfs/dbraw/zinc/73/43/58/441734358.db2.gz QDRDYQRWOZFSIT-LLVKDONJSA-N 0 0 342.237 1.373 10 0 EDAERN COC(=O)C[C@@H](NC(=O)COc1c(C)nn(C)c1C)c1ccccc1 ZINC000121583707 441737658 /nfs/dbraw/zinc/73/76/58/441737658.db2.gz GQNNEUHKKUNMRH-OAHLLOKOSA-N 0 0 345.399 1.836 10 0 EDAERN COC(=O)C[C@H](C)C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091761213 441738037 /nfs/dbraw/zinc/73/80/37/441738037.db2.gz FCBSOCLCYVKDAI-DRCTWCGVSA-N 0 0 327.327 1.798 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000091782488 441742364 /nfs/dbraw/zinc/74/23/64/441742364.db2.gz DNLOHYHJKUKDSI-JTQLQIEISA-N 0 0 349.239 1.798 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccco2)ncn1 ZINC000173420237 441744139 /nfs/dbraw/zinc/74/41/39/441744139.db2.gz WHDYLSYRGWWVSL-ZDUSSCGKSA-N 0 0 329.404 1.829 10 0 EDAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000121634364 441748059 /nfs/dbraw/zinc/74/80/59/441748059.db2.gz PIWRWFGLFDTQOQ-MGPQQGTHSA-N 0 0 341.477 1.580 10 0 EDAERN CC[C@H](O)CN1CCN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000173453485 441756936 /nfs/dbraw/zinc/75/69/36/441756936.db2.gz AOJIMPGIQNGLNT-HNNXBMFYSA-N 0 0 335.448 1.405 10 0 EDAERN COc1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1Cl ZINC000121503038 441719444 /nfs/dbraw/zinc/71/94/44/441719444.db2.gz WZKLVCXHORRQAR-LBPRGKRZSA-N 0 0 327.812 1.478 10 0 EDAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000173341841 441719644 /nfs/dbraw/zinc/71/96/44/441719644.db2.gz RDWLQWAVFSONSZ-GOEBONIOSA-N 0 0 333.432 1.759 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NCC3CCCCC3)CCO2)[nH]1 ZINC000173353937 441722085 /nfs/dbraw/zinc/72/20/85/441722085.db2.gz AGOSZYMKZVRVCC-SWLSCSKDSA-N 0 0 335.452 1.571 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)nc1 ZINC000136829664 441725844 /nfs/dbraw/zinc/72/58/44/441725844.db2.gz REPYXMRGBONXBB-LBPRGKRZSA-N 0 0 343.387 1.328 10 0 EDAERN Fc1ccccc1CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000137591876 441774628 /nfs/dbraw/zinc/77/46/28/441774628.db2.gz ZXLMCBZVDDOAMN-UHFFFAOYSA-N 0 0 326.379 1.628 10 0 EDAERN Cc1csc(CNC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000115790998 441776454 /nfs/dbraw/zinc/77/64/54/441776454.db2.gz QDTPFRVXFXKVKJ-UHFFFAOYSA-N 0 0 348.476 1.603 10 0 EDAERN NC(=O)[C@H]1COCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000092230406 441780274 /nfs/dbraw/zinc/78/02/74/441780274.db2.gz WRMCNMTYFRDENA-GFCCVEGCSA-N 0 0 336.779 1.119 10 0 EDAERN CCn1nc(C)c(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1Cl ZINC000173533825 441781708 /nfs/dbraw/zinc/78/17/08/441781708.db2.gz QZSYVEACXOZDLY-JTQLQIEISA-N 0 0 338.799 1.505 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCCc1nnc2n1CCCC2)C(C)C ZINC000159095810 441787302 /nfs/dbraw/zinc/78/73/02/441787302.db2.gz FPIPXSBXHONDLV-QGZVFWFLSA-N 0 0 349.479 1.460 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(-c4ccccc4)no3)CCO2)[nH]1 ZINC000173550543 441787661 /nfs/dbraw/zinc/78/76/61/441787661.db2.gz CIQPDEIGEFVJBT-OAHLLOKOSA-N 0 0 339.355 1.982 10 0 EDAERN O=C(NCCCOC[C@@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 ZINC000173556288 441790156 /nfs/dbraw/zinc/79/01/56/441790156.db2.gz BIUICCUBWFOGDP-GJZGRUSLSA-N 0 0 337.424 1.210 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)CCc3cccc(OC)c3)CCO2)[nH]1 ZINC000173558398 441791780 /nfs/dbraw/zinc/79/17/80/441791780.db2.gz NNORDQCNXXKVGR-HNNXBMFYSA-N 0 0 344.415 1.908 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116115231 441794236 /nfs/dbraw/zinc/79/42/36/441794236.db2.gz UPVXEGCLXPPHAZ-CYBMUJFWSA-N 0 0 327.450 1.197 10 0 EDAERN COc1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc2c1OCCO2 ZINC000116123061 441795071 /nfs/dbraw/zinc/79/50/71/441795071.db2.gz DQCJLNDGWSUYCE-LBPRGKRZSA-N 0 0 343.383 1.830 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2c(C)nn(CC)c2Cl)CC1 ZINC000173585108 441798990 /nfs/dbraw/zinc/79/89/90/441798990.db2.gz GUZJBNFPCROWRH-LBPRGKRZSA-N 0 0 328.844 1.394 10 0 EDAERN COc1cc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)cc(OC)c1 ZINC000116314549 441811889 /nfs/dbraw/zinc/81/18/89/441811889.db2.gz MUIIMQSXYMPADR-ZDUSSCGKSA-N 0 0 344.415 1.865 10 0 EDAERN C[C@@H](CNC(=O)N[C@@H](CCCO)c1ccccc1)N1CCOCC1 ZINC000077773941 441857443 /nfs/dbraw/zinc/85/74/43/441857443.db2.gz JAGUNLPTRRTCJW-RDJZCZTQSA-N 0 0 335.448 1.520 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccnc2)C[C@H]1CC ZINC000116899250 441858474 /nfs/dbraw/zinc/85/84/74/441858474.db2.gz FLUZBCOMPUIUDO-CQSZACIVSA-N 0 0 327.450 1.203 10 0 EDAERN c1ccc(CCc2noc(CN3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000173907142 441860359 /nfs/dbraw/zinc/86/03/59/441860359.db2.gz KKGRWVSJXWYSMX-KRWDZBQOSA-N 0 0 342.443 1.761 10 0 EDAERN Cn1c(=O)oc2c1cccc2C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000122811792 441864251 /nfs/dbraw/zinc/86/42/51/441864251.db2.gz NMPPFMIBFAQYNX-LBPRGKRZSA-N 0 0 341.371 1.275 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000173933764 441865080 /nfs/dbraw/zinc/86/50/80/441865080.db2.gz ZUSCDKCQYACQCK-OAHLLOKOSA-N 0 0 346.431 1.328 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CNC(=O)c2cccs2)C1 ZINC000117255303 441866050 /nfs/dbraw/zinc/86/60/50/441866050.db2.gz NSYKGKDRXZJPOF-GFCCVEGCSA-N 0 0 347.444 1.496 10 0 EDAERN COCCN1CCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000117425466 441873471 /nfs/dbraw/zinc/87/34/71/441873471.db2.gz RJTOWRWHTOLMOB-INIZCTEOSA-N 0 0 347.459 1.212 10 0 EDAERN CCO[C@H]1C[C@H](O)C12CCN(c1cncc(-n3ccnc3C)n1)CC2 ZINC000092915681 441839655 /nfs/dbraw/zinc/83/96/55/441839655.db2.gz UEOLHWINXIVJIB-GJZGRUSLSA-N 0 0 343.431 1.727 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)ccc2F)C[C@@H]1C ZINC000117522343 441873922 /nfs/dbraw/zinc/87/39/22/441873922.db2.gz XUMXNQYPOMXRDW-ZDUSSCGKSA-N 0 0 337.395 1.252 10 0 EDAERN CCc1ccc(OCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173849315 441850120 /nfs/dbraw/zinc/85/01/20/441850120.db2.gz GQSPYIZZINCGGO-MAUKXSAKSA-N 0 0 332.444 1.807 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)C[C@H]1N1CCOCC1 ZINC000173860621 441851758 /nfs/dbraw/zinc/85/17/58/441851758.db2.gz MSIILJFSGDLLIE-SWLSCSKDSA-N 0 0 346.456 1.931 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@H]1N1CCOCC1 ZINC000173867485 441852775 /nfs/dbraw/zinc/85/27/75/441852775.db2.gz HHGIFDHJSVBWNG-TZMCWYRMSA-N 0 0 336.457 1.614 10 0 EDAERN CC(C)c1noc(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000173861921 441853130 /nfs/dbraw/zinc/85/31/30/441853130.db2.gz NDTKIDXXYWFPQO-KGLIPLIRSA-N 0 0 336.436 1.305 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ncc(F)cn2)C1 ZINC000095083378 441909778 /nfs/dbraw/zinc/90/97/78/441909778.db2.gz AZJIXKBRKKFNFP-SNVBAGLBSA-N 0 0 331.369 1.399 10 0 EDAERN O=C(NCCCOC1CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119132588 441918693 /nfs/dbraw/zinc/91/86/93/441918693.db2.gz FBDMAYPMMPDXIT-MAUKXSAKSA-N 0 0 340.464 1.909 10 0 EDAERN CCCCOCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000174401392 441921093 /nfs/dbraw/zinc/92/10/93/441921093.db2.gz VALYIRLWWWRFNQ-UHFFFAOYSA-N 0 0 339.440 1.412 10 0 EDAERN Cc1cnn(CCNC(=O)CCn2c3ccccc3n(C)c2=O)c1 ZINC000117812328 441880129 /nfs/dbraw/zinc/88/01/29/441880129.db2.gz VWVNOHHGAOPLEK-UHFFFAOYSA-N 0 0 327.388 1.051 10 0 EDAERN Cc1cnn(CCNC(=O)Cc2csc(N3CCCC3=O)n2)c1 ZINC000117809512 441880213 /nfs/dbraw/zinc/88/02/13/441880213.db2.gz VHBDAMLCQVTLKT-UHFFFAOYSA-N 0 0 333.417 1.134 10 0 EDAERN COc1c(CN(CCO)Cc2cc(OC)ccc2OC)c(C)nn1C ZINC000093361531 441883368 /nfs/dbraw/zinc/88/33/68/441883368.db2.gz OEYRITCBHGBQGW-UHFFFAOYSA-N 0 0 349.431 1.749 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123387141 441885833 /nfs/dbraw/zinc/88/58/33/441885833.db2.gz BVUZSOQMCQRAFO-FZKQIMNGSA-N 0 0 332.400 1.787 10 0 EDAERN Cc1nnc([C@H](NS(=O)(=O)c2cncc(Cl)c2)C(C)C)[nH]1 ZINC000095437315 441927462 /nfs/dbraw/zinc/92/74/62/441927462.db2.gz LOKUZZOUBSJVJD-LLVKDONJSA-N 0 0 329.813 1.837 10 0 EDAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)COCc1ccccc1)CC2 ZINC000174633575 441947037 /nfs/dbraw/zinc/94/70/37/441947037.db2.gz YXMHINDXKWICLM-XJKSGUPXSA-N 0 0 343.431 1.806 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccccc1C ZINC000174677247 441953814 /nfs/dbraw/zinc/95/38/14/441953814.db2.gz HCGOFUVALMIMNR-CVEARBPZSA-N 0 0 334.416 1.436 10 0 EDAERN CC(C)NC(=O)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000174702273 441956187 /nfs/dbraw/zinc/95/61/87/441956187.db2.gz IBYIDAYBUVIGHB-ZDUSSCGKSA-N 0 0 329.404 1.757 10 0 EDAERN C[C@H]1CN([C@@H](CNc2nccn(C)c2=O)c2cccs2)CCO1 ZINC000174742917 441963778 /nfs/dbraw/zinc/96/37/78/441963778.db2.gz GAWBVAURFDVMTR-STQMWFEESA-N 0 0 334.445 1.716 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000124902078 441964950 /nfs/dbraw/zinc/96/49/50/441964950.db2.gz WYDVHLFZQBVBBD-LSDHHAIUSA-N 0 0 348.403 1.319 10 0 EDAERN CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174767554 441967105 /nfs/dbraw/zinc/96/71/05/441967105.db2.gz LYBBTZDLFFCBKX-LBPRGKRZSA-N 0 0 349.416 1.551 10 0 EDAERN CCc1cnc(NC(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)s1 ZINC000151017975 441991617 /nfs/dbraw/zinc/99/16/17/441991617.db2.gz JXGNOLHQOXQTAA-JTQLQIEISA-N 0 0 336.421 1.991 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000174937566 441984877 /nfs/dbraw/zinc/98/48/77/441984877.db2.gz UTWANIIXTXDIAG-NEPJUHHUSA-N 0 0 336.388 1.588 10 0 EDAERN O=C(N[C@H]1CCCC[C@@H]1CO)C1CCN(C(=O)N2CCCC2)CC1 ZINC000150983201 441985626 /nfs/dbraw/zinc/98/56/26/441985626.db2.gz ZCQZUTLLPYSLBG-CVEARBPZSA-N 0 0 337.464 1.582 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1c(C)c(C)sc1=O ZINC000151309797 442040516 /nfs/dbraw/zinc/04/05/16/442040516.db2.gz HQNHUNWHWCCMSB-LLVKDONJSA-N 0 0 335.433 1.332 10 0 EDAERN C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)c1cccs1 ZINC000175626022 442096118 /nfs/dbraw/zinc/09/61/18/442096118.db2.gz VHSNXLIUHIPIJT-STQMWFEESA-N 0 0 327.450 1.144 10 0 EDAERN O=C(NCC[S@@](=O)Cc1ccccc1)NC[C@@H]1CCCC[C@@H]1O ZINC000120357331 442055929 /nfs/dbraw/zinc/05/59/29/442055929.db2.gz OOKQBCIIMHAHGR-KXNSMUHISA-N 0 0 338.473 1.786 10 0 EDAERN O=S(=O)(NC[C@H]1Cn2ccnc2CO1)c1ccc(Cl)cc1 ZINC000096296245 442110687 /nfs/dbraw/zinc/11/06/87/442110687.db2.gz SFMZRTBJWSRZGS-NSHDSACASA-N 0 0 327.793 1.414 10 0 EDAERN O=C(NCc1nnc2n1CCCC2)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000120714719 442121444 /nfs/dbraw/zinc/12/14/44/442121444.db2.gz GURWQGMQLDNRFB-GUYCJALGSA-N 0 0 333.436 1.451 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)nc1)[C@@H]1CCCO1 ZINC000151814311 442124543 /nfs/dbraw/zinc/12/45/43/442124543.db2.gz BHCKEGOZKROUCI-SCZZXKLOSA-N 0 0 342.193 1.466 10 0 EDAERN CCc1nc(C2(NC(=O)[C@@H](C)NC(=O)c3ccoc3)CCCC2)no1 ZINC000175799434 442124735 /nfs/dbraw/zinc/12/47/35/442124735.db2.gz HIDKATUTISOKQZ-LLVKDONJSA-N 0 0 346.387 1.929 10 0 EDAERN Cc1[nH]c(=O)c(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000163198488 442149839 /nfs/dbraw/zinc/14/98/39/442149839.db2.gz DNJMASISEWYLLU-MNOVXSKESA-N 0 0 329.194 1.891 10 0 EDAERN NC(=O)COc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120859794 442143298 /nfs/dbraw/zinc/14/32/98/442143298.db2.gz CMUNJPTYYCGFRB-FZKQIMNGSA-N 0 0 332.400 1.318 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccco1 ZINC000175703128 442108107 /nfs/dbraw/zinc/10/81/07/442108107.db2.gz FQJUGLCBBZQBMC-AWEZNQCLSA-N 0 0 345.403 1.389 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000176073365 442171160 /nfs/dbraw/zinc/17/11/60/442171160.db2.gz ZHQWJDBDSQPBKQ-INIZCTEOSA-N 0 0 349.479 1.476 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NC[C@@H](C)SC)CC2)cn1 ZINC000163726606 442180218 /nfs/dbraw/zinc/18/02/18/442180218.db2.gz NJZUOZVSBKPXTG-CQSZACIVSA-N 0 0 339.509 1.872 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3occc3Br)CCO2)[nH]1 ZINC000176196514 442188395 /nfs/dbraw/zinc/18/83/95/442188395.db2.gz MVSITIXJXNMTHG-VIFPVBQESA-N 0 0 341.165 1.682 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)n(C)n1 ZINC000127295379 442189986 /nfs/dbraw/zinc/18/99/86/442189986.db2.gz KHUOHJZLTIDVAF-LLVKDONJSA-N 0 0 346.391 1.537 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000121259012 442197212 /nfs/dbraw/zinc/19/72/12/442197212.db2.gz PANYSMDYFDRLRY-CQSZACIVSA-N 0 0 340.383 1.300 10 0 EDAERN CCc1c(C(=O)N2CCN(CCOC)[C@@H](C)C2)cnn1CC(C)C ZINC000152333310 442198763 /nfs/dbraw/zinc/19/87/63/442198763.db2.gz MLDOHYNYGNKMSK-HNNXBMFYSA-N 0 0 336.480 1.894 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000121290921 442199916 /nfs/dbraw/zinc/19/99/16/442199916.db2.gz XZPLSYZYFYTETJ-MRXNPFEDSA-N 0 0 331.416 1.876 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000176247880 442199899 /nfs/dbraw/zinc/19/98/99/442199899.db2.gz VHWOLUKBSZFWEU-HSZRJFAPSA-N 0 0 334.445 1.771 10 0 EDAERN CC(C)CCOCCNC(=O)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152357732 442201843 /nfs/dbraw/zinc/20/18/43/442201843.db2.gz GEICFJLLHCPDTI-QGZVFWFLSA-N 0 0 335.448 1.714 10 0 EDAERN C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000152065138 442160264 /nfs/dbraw/zinc/16/02/64/442160264.db2.gz XEBKXRUJMLXPQD-YUELXQCFSA-N 0 0 329.404 1.924 10 0 EDAERN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N1CCC[C@H]1CO ZINC000120992584 442161775 /nfs/dbraw/zinc/16/17/75/442161775.db2.gz VUAQOQSHAZPICO-VIFPVBQESA-N 0 0 348.733 1.863 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cn1 ZINC000097081404 442163238 /nfs/dbraw/zinc/16/32/38/442163238.db2.gz XXJBIXDIDQOPAY-CQSZACIVSA-N 0 0 349.412 1.717 10 0 EDAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC(=O)NCc1ccco1 ZINC000152439895 442213345 /nfs/dbraw/zinc/21/33/45/442213345.db2.gz CNEQZJFUIIXSQU-OAHLLOKOSA-N 0 0 344.371 1.154 10 0 EDAERN C[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1cccc(F)c1 ZINC000176438478 442222124 /nfs/dbraw/zinc/22/21/24/442222124.db2.gz CGDXAEWHKHEMJT-WFASDCNBSA-N 0 0 325.384 1.223 10 0 EDAERN COC[C@H](C)C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176519780 442230222 /nfs/dbraw/zinc/23/02/22/442230222.db2.gz DPOGEZQSMCDJAD-KBPBESRZSA-N 0 0 326.462 1.862 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)c2cnns2)N2CCOCC2)s1 ZINC000176570559 442235596 /nfs/dbraw/zinc/23/55/96/442235596.db2.gz CAFDMSNUBSWXMV-LLVKDONJSA-N 0 0 338.458 1.711 10 0 EDAERN O=S(=O)(c1cccc2c1OCCO2)N1CCN2CCCC[C@@H]2C1 ZINC000170662653 442244718 /nfs/dbraw/zinc/24/47/18/442244718.db2.gz ZRPLJHTWCWVZJR-CYBMUJFWSA-N 0 0 338.429 1.317 10 0 EDAERN Cc1ccc(-c2ocnc2C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000128124466 442246816 /nfs/dbraw/zinc/24/68/16/442246816.db2.gz UKIPVPIHVWHBJE-OAHLLOKOSA-N 0 0 345.399 1.073 10 0 EDAERN COCCNC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176924836 442274064 /nfs/dbraw/zinc/27/40/64/442274064.db2.gz MGLIXBXKCWPIRH-ZDUSSCGKSA-N 0 0 327.450 1.409 10 0 EDAERN COCCNC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176926262 442274229 /nfs/dbraw/zinc/27/42/29/442274229.db2.gz QGTMPQCAODCPNU-ZDUSSCGKSA-N 0 0 327.450 1.375 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(-c2nccn2C)c1)[C@H]1CCCO1 ZINC000176950952 442277553 /nfs/dbraw/zinc/27/75/53/442277553.db2.gz LGQGLDGPSRVAPX-SWLSCSKDSA-N 0 0 342.399 1.709 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1F ZINC000176991622 442281823 /nfs/dbraw/zinc/28/18/23/442281823.db2.gz STXMSZYFQNESPN-XJKSGUPXSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@H](C(N)=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000128697025 442282750 /nfs/dbraw/zinc/28/27/50/442282750.db2.gz FMWAJCJWKHIEDW-GFCCVEGCSA-N 0 0 329.379 1.279 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000170924508 442290139 /nfs/dbraw/zinc/29/01/39/442290139.db2.gz CXRNZMUWYPRALZ-KRWDZBQOSA-N 0 0 349.475 1.993 10 0 EDAERN CC[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CCN1CC(F)F ZINC000130124339 442339679 /nfs/dbraw/zinc/33/96/79/442339679.db2.gz MHBSPVIWTCKSDN-KGLIPLIRSA-N 0 0 332.439 1.842 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000171434551 442348095 /nfs/dbraw/zinc/34/80/95/442348095.db2.gz MIRGDFPZMJWGBR-ZIAGYGMSSA-N 0 0 346.431 1.701 10 0 EDAERN COC[C@@H](C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000171443467 442348998 /nfs/dbraw/zinc/34/89/98/442348998.db2.gz DAUHXCNIJSOWMA-SNVBAGLBSA-N 0 0 334.825 1.017 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000177173802 442309671 /nfs/dbraw/zinc/30/96/71/442309671.db2.gz LFBZCOFSXSWURU-WBVHZDCISA-N 0 0 339.395 1.964 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1cccc(C)c1 ZINC000154038927 442318205 /nfs/dbraw/zinc/31/82/05/442318205.db2.gz FUYFRGRZIVNJEC-CABCVRRESA-N 0 0 329.404 1.763 10 0 EDAERN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171635322 442364966 /nfs/dbraw/zinc/36/49/66/442364966.db2.gz JGOLCTRQENRJIQ-INIZCTEOSA-N 0 0 331.395 1.713 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)CC2 ZINC000177641220 442365932 /nfs/dbraw/zinc/36/59/32/442365932.db2.gz PIHFRZKENMNOGZ-GFCCVEGCSA-N 0 0 347.806 1.564 10 0 EDAERN C[C@H]1CN(C(=O)Nc2ccccc2N(C)C)C[C@H]1N1CCOCC1 ZINC000177733191 442376963 /nfs/dbraw/zinc/37/69/63/442376963.db2.gz ABOTWXSNIGUASJ-WMLDXEAASA-N 0 0 332.448 1.937 10 0 EDAERN CCn1cc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000171792743 442381529 /nfs/dbraw/zinc/38/15/29/442381529.db2.gz FWVSXOHEEMLBFG-QGZVFWFLSA-N 0 0 343.431 1.786 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cnc(C)s3)CC2)n1 ZINC000171818553 442383187 /nfs/dbraw/zinc/38/31/87/442383187.db2.gz HXHNGAQDLKUTFH-JTQLQIEISA-N 0 0 335.433 1.916 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)CN3CCCCCCC3=O)CCO2)c1 ZINC000171828547 442383844 /nfs/dbraw/zinc/38/38/44/442383844.db2.gz AJFOJCZRBLPTIA-MRXNPFEDSA-N 0 0 348.447 1.212 10 0 EDAERN CN(C)C(=O)Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171890043 442387380 /nfs/dbraw/zinc/38/73/80/442387380.db2.gz DHWGZIHKUFZHHT-MRXNPFEDSA-N 0 0 330.432 1.629 10 0 EDAERN O=C(c1cc2ccccc2[nH]c1=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883330 442387549 /nfs/dbraw/zinc/38/75/49/442387549.db2.gz ZYXAOSHHSQHWMB-AWEZNQCLSA-N 0 0 338.367 1.266 10 0 EDAERN Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1-n1cnnn1 ZINC000171888682 442387568 /nfs/dbraw/zinc/38/75/68/442387568.db2.gz ZASZUVDZJOUYKL-CQSZACIVSA-N 0 0 327.392 1.283 10 0 EDAERN O=C(NCCOc1cccc(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171902245 442388784 /nfs/dbraw/zinc/38/87/84/442388784.db2.gz IPUKCQQSBXMQMW-MRXNPFEDSA-N 0 0 348.378 1.512 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCc3cc(F)ccc32)n(C)n1 ZINC000155390841 442394005 /nfs/dbraw/zinc/39/40/05/442394005.db2.gz UWCZSAFLWNEXPA-AWEZNQCLSA-N 0 0 330.363 2.000 10 0 EDAERN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172002411 442397861 /nfs/dbraw/zinc/39/78/61/442397861.db2.gz UIDAAWBEURWEPG-SECBINFHSA-N 0 0 325.294 1.745 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NOCc1ccccc1 ZINC000154805438 442357623 /nfs/dbraw/zinc/35/76/23/442357623.db2.gz FWYSNDSTVQMHMG-ZDUSSCGKSA-N 0 0 331.376 1.690 10 0 EDAERN CC(C)[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1nc2ccccc2[nH]1 ZINC000171580775 442359459 /nfs/dbraw/zinc/35/94/59/442359459.db2.gz FTBRPCTYPOLUNJ-BBRMVZONSA-N 0 0 345.447 1.890 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171619977 442363362 /nfs/dbraw/zinc/36/33/62/442363362.db2.gz MLJUSXCWUHZWON-MRXNPFEDSA-N 0 0 343.431 1.630 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC[C@@H]2Cn2ccnc2C)no1 ZINC000178290558 442422076 /nfs/dbraw/zinc/42/20/76/442422076.db2.gz CPYSINGFXKHDOB-CQSZACIVSA-N 0 0 347.419 1.735 10 0 EDAERN O=C(Nc1cccc(OCC(F)F)n1)N[C@H]1CCc2ncnn2C1 ZINC000133628776 442426927 /nfs/dbraw/zinc/42/69/27/442426927.db2.gz PIFZIFNCLDFITF-VIFPVBQESA-N 0 0 338.318 1.454 10 0 EDAERN C[C@@H]1CN(C(=O)NCCCc2ccccn2)C[C@@H]1N1CCOCC1 ZINC000178433035 442433362 /nfs/dbraw/zinc/43/33/62/442433362.db2.gz MJTGVOKQEFFQCK-WBVHZDCISA-N 0 0 332.448 1.376 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C)n1 ZINC000134206094 442458439 /nfs/dbraw/zinc/45/84/39/442458439.db2.gz JYKHFZIQKWXHKZ-CQSZACIVSA-N 0 0 325.434 1.210 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CN1CCCCCC1=O)CC2 ZINC000172420870 442458445 /nfs/dbraw/zinc/45/84/45/442458445.db2.gz ZJNXEQNMDHVJGU-CYBMUJFWSA-N 0 0 333.436 1.235 10 0 EDAERN CC(=O)NC1(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CCCCC1 ZINC000134103892 442450916 /nfs/dbraw/zinc/45/09/16/442450916.db2.gz MJAJZTUQZORIJF-AWEZNQCLSA-N 0 0 347.463 1.672 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)CC2 ZINC000134130317 442452649 /nfs/dbraw/zinc/45/26/49/442452649.db2.gz YGYJBYBAJJKBSB-RZFZLAGVSA-N 0 0 346.456 1.884 10 0 EDAERN O=C(NCC1(c2ccc(F)cc2F)CC1)N[C@H]1CCc2ncnn2C1 ZINC000134147710 442453356 /nfs/dbraw/zinc/45/33/56/442453356.db2.gz OKCWNTDNHCZALA-LBPRGKRZSA-N 0 0 347.369 1.902 10 0 EDAERN O=C(NC1CCC2(CC1)OCCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000156195576 442454459 /nfs/dbraw/zinc/45/44/59/442454459.db2.gz FAMTYLPPORBOKN-UHFFFAOYSA-N 0 0 334.420 1.984 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCC(c2ccnn2C)CC1 ZINC000186206767 442486120 /nfs/dbraw/zinc/48/61/20/442486120.db2.gz PLEONDWLOJUBRX-UHFFFAOYSA-N 0 0 331.420 1.710 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1c[nH]c(=O)c2ccccc12 ZINC000191680815 442489373 /nfs/dbraw/zinc/48/93/73/442489373.db2.gz SYPTXHVSIJDIKT-CYBMUJFWSA-N 0 0 349.394 1.717 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CN1CCCC1=O)CC2 ZINC000172557532 442490039 /nfs/dbraw/zinc/49/00/39/442490039.db2.gz YCEJDQYQBRITHD-CHWSQXEVSA-N 0 0 348.451 1.026 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cccnc1OCC(F)(F)F ZINC000191765786 442506721 /nfs/dbraw/zinc/50/67/21/442506721.db2.gz MXUKDRCYQFXQPU-VIFPVBQESA-N 0 0 331.294 1.373 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(C(F)F)c1 ZINC000179818704 442507562 /nfs/dbraw/zinc/50/75/62/442507562.db2.gz IJZWVFPXXFFDIA-ZDUSSCGKSA-N 0 0 329.347 1.439 10 0 EDAERN COc1ccc(Br)c(C(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000191766556 442507891 /nfs/dbraw/zinc/50/78/91/442507891.db2.gz BYERJEDSHIYEGQ-VIFPVBQESA-N 0 0 341.205 1.808 10 0 EDAERN CCc1ncsc1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178708432 442459507 /nfs/dbraw/zinc/45/95/07/442459507.db2.gz SWOSOJGLPMHTMM-LBPRGKRZSA-N 0 0 347.444 1.673 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000172444589 442462146 /nfs/dbraw/zinc/46/21/46/442462146.db2.gz FQMFIAMODPLPNC-OAHLLOKOSA-N 0 0 347.463 1.805 10 0 EDAERN C[C@H](NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@H]1CCCO1 ZINC000186152902 442473888 /nfs/dbraw/zinc/47/38/88/442473888.db2.gz WNMVAAYBLNBPBL-SWLSCSKDSA-N 0 0 333.436 1.686 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000186154577 442474406 /nfs/dbraw/zinc/47/44/06/442474406.db2.gz VEVFRYSPPKHIPH-CQSZACIVSA-N 0 0 326.352 1.953 10 0 EDAERN Cc1c(Cl)cccc1OCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758420 442536182 /nfs/dbraw/zinc/53/61/82/442536182.db2.gz XFDKHLVAWJBXPC-CQSZACIVSA-N 0 0 338.835 1.960 10 0 EDAERN COc1ccc(CCCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172759522 442536222 /nfs/dbraw/zinc/53/62/22/442536222.db2.gz VIMOTJRHCXGMFN-KRWDZBQOSA-N 0 0 332.444 1.951 10 0 EDAERN O=C(CCCOc1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766697 442539471 /nfs/dbraw/zinc/53/94/71/442539471.db2.gz JAFLVKZWYQRZEJ-MRXNPFEDSA-N 0 0 336.407 1.918 10 0 EDAERN COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000180195792 442556432 /nfs/dbraw/zinc/55/64/32/442556432.db2.gz QXPRWWUUTRPMPT-OIBJUYFYSA-N 0 0 344.289 1.955 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@@H](O)c1cccc(F)c1)CC2 ZINC000179991138 442527013 /nfs/dbraw/zinc/52/70/13/442527013.db2.gz BGMPGNWUMCLWOS-ZIAGYGMSSA-N 0 0 332.379 1.534 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742088 442530187 /nfs/dbraw/zinc/53/01/87/442530187.db2.gz XRQRXCBRTPTPFA-GOEBONIOSA-N 0 0 346.431 1.130 10 0 EDAERN O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744272 442531378 /nfs/dbraw/zinc/53/13/78/442531378.db2.gz AQLCMOYYAZIREL-QGZVFWFLSA-N 0 0 326.400 1.419 10 0 EDAERN COCCOCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179116434 442576432 /nfs/dbraw/zinc/57/64/32/442576432.db2.gz QYYSZVAGQCGHBO-HOCLYGCPSA-N 0 0 338.379 1.124 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ncccc3C(F)(F)F)CCO2)[nH]1 ZINC000180322960 442580954 /nfs/dbraw/zinc/58/09/54/442580954.db2.gz BJDFJUOUQALRTA-JTQLQIEISA-N 0 0 341.293 1.741 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(C)c(O)c3)CC2)no1 ZINC000180335593 442582542 /nfs/dbraw/zinc/58/25/42/442582542.db2.gz LSJMFFVNRBJUAZ-UHFFFAOYSA-N 0 0 344.415 1.669 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000186686110 442590775 /nfs/dbraw/zinc/59/07/75/442590775.db2.gz LFHWLQCRMCZQQV-HNNXBMFYSA-N 0 0 341.496 1.750 10 0 EDAERN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000179240603 442603540 /nfs/dbraw/zinc/60/35/40/442603540.db2.gz MBGZKIQOHOQGRB-IMJJTQAJSA-N 0 0 334.416 1.969 10 0 EDAERN C[C@H]1CN(C(=O)CCC(=O)OC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000192393901 442644762 /nfs/dbraw/zinc/64/47/62/442644762.db2.gz VRGBUFZBMVJEQP-KBPBESRZSA-N 0 0 326.437 1.287 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1-n1cnnn1 ZINC000180725311 442652616 /nfs/dbraw/zinc/65/26/16/442652616.db2.gz NRCHBQRJLWZOKG-CJNGLKHVSA-N 0 0 343.387 1.455 10 0 EDAERN CCS(=O)(=O)NCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000179287769 442612856 /nfs/dbraw/zinc/61/28/56/442612856.db2.gz JQSOLQRKPUKJFI-LLVKDONJSA-N 0 0 338.351 1.216 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)CN(C)C(=O)COC)C12CCCC2 ZINC000135586937 442614804 /nfs/dbraw/zinc/61/48/04/442614804.db2.gz MKFIIOOQNDKMOG-KBPBESRZSA-N 0 0 326.437 1.287 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000173175629 442616859 /nfs/dbraw/zinc/61/68/59/442616859.db2.gz ADPWYUNWWZSBNT-LBPRGKRZSA-N 0 0 337.395 1.252 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3cnn(C)c3C)CCO2)n1 ZINC000179345965 442626839 /nfs/dbraw/zinc/62/68/39/442626839.db2.gz ARHKOVDFPRELAR-MRXNPFEDSA-N 0 0 346.435 1.152 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)c1cccc(-n2ccnc2)c1 ZINC000173242461 442631556 /nfs/dbraw/zinc/63/15/56/442631556.db2.gz RYNHCKBOMDLUAO-HIFRSBDPSA-N 0 0 341.415 1.853 10 0 EDAERN COCCn1nc(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)ccc1=O ZINC000181104776 442680683 /nfs/dbraw/zinc/68/06/83/442680683.db2.gz ZHROVWPARVBKFG-FZKQIMNGSA-N 0 0 341.411 1.861 10 0 EDAERN O=C(Nc1ccnn1Cc1ccccn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000181131126 442681580 /nfs/dbraw/zinc/68/15/80/442681580.db2.gz KVRQTSOKZABXCV-HNNXBMFYSA-N 0 0 326.404 1.638 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187601705 442682212 /nfs/dbraw/zinc/68/22/12/442682212.db2.gz UYOZZEFSVMDPOU-KBPBESRZSA-N 0 0 347.440 1.516 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn(CC(C)C)c1 ZINC000181386568 442693833 /nfs/dbraw/zinc/69/38/33/442693833.db2.gz PPCKYSYOZAHEHW-CYBMUJFWSA-N 0 0 332.408 1.542 10 0 EDAERN CC(C)c1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000181471855 442698936 /nfs/dbraw/zinc/69/89/36/442698936.db2.gz PCADHTZGMHIFGL-XJKSGUPXSA-N 0 0 333.432 1.703 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)CC2 ZINC000181526284 442701934 /nfs/dbraw/zinc/70/19/34/442701934.db2.gz OGOSULMYJVQXPQ-LBPRGKRZSA-N 0 0 330.392 1.237 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000193017194 442705835 /nfs/dbraw/zinc/70/58/35/442705835.db2.gz BTADUKGFMZDXOP-JQWIXIFHSA-N 0 0 337.445 1.628 10 0 EDAERN COc1ccc(C[C@H](C)C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000136435675 442663712 /nfs/dbraw/zinc/66/37/12/442663712.db2.gz FTGCUBNVDHUZCQ-BLLLJJGKSA-N 0 0 344.415 1.900 10 0 EDAERN C[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1ccc(Cl)s1 ZINC000180936419 442670633 /nfs/dbraw/zinc/67/06/33/442670633.db2.gz LGPFHKHMDXFLGD-QMMMGPOBSA-N 0 0 341.824 1.915 10 0 EDAERN O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180970945 442672298 /nfs/dbraw/zinc/67/22/98/442672298.db2.gz RPZXSWLUDWOYID-NSHDSACASA-N 0 0 342.371 1.657 10 0 EDAERN COCc1noc([C@@H](C)N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000181800578 442717252 /nfs/dbraw/zinc/71/72/52/442717252.db2.gz BGMSPTQDTWGSQZ-CHWSQXEVSA-N 0 0 332.408 1.668 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)CCc2cccn2C)CC1 ZINC000181852548 442719352 /nfs/dbraw/zinc/71/93/52/442719352.db2.gz JNCHJUVIAVGBTI-DOTOQJQBSA-N 0 0 336.480 1.444 10 0 EDAERN CC[C@H]1CCc2nc(NC(=O)C(=O)N3CCC[C@H]3CO)sc2C1 ZINC000193370306 442736449 /nfs/dbraw/zinc/73/64/49/442736449.db2.gz GSCSZBRCKZXTAH-QWRGUYRKSA-N 0 0 337.445 1.580 10 0 EDAERN CCc1nnc(CN[C@H](CN2CCOCC2)c2ccccc2)n1C ZINC000182117117 442737445 /nfs/dbraw/zinc/73/74/45/442737445.db2.gz MIEBGKOWHWHEOM-MRXNPFEDSA-N 0 0 329.448 1.541 10 0 EDAERN COCCN1CCN(C(=O)c2cccnc2C(F)(F)F)C[C@H]1C ZINC000188387850 442745850 /nfs/dbraw/zinc/74/58/50/442745850.db2.gz LMHLEPWIZRLFJL-LLVKDONJSA-N 0 0 331.338 1.893 10 0 EDAERN O=C(Cn1cnc(-c2ccccc2)n1)N1CC(NC(=O)C2CCC2)C1 ZINC000188487206 442755604 /nfs/dbraw/zinc/75/56/04/442755604.db2.gz DOKXTZBZNDEGMD-UHFFFAOYSA-N 0 0 339.399 1.072 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)C1 ZINC000193575296 442755675 /nfs/dbraw/zinc/75/56/75/442755675.db2.gz FVZOCVJGFSGHDQ-AWEZNQCLSA-N 0 0 338.429 1.139 10 0 EDAERN COc1ccc(Cl)cc1NCCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188074507 442708532 /nfs/dbraw/zinc/70/85/32/442708532.db2.gz FTBJWKDLMFTMCZ-LLVKDONJSA-N 0 0 339.823 1.888 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000193086841 442711356 /nfs/dbraw/zinc/71/13/56/442711356.db2.gz LQBMBXJBVKEOTG-CXAGYDPISA-N 0 0 329.400 1.117 10 0 EDAERN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000188685597 442787934 /nfs/dbraw/zinc/78/79/34/442787934.db2.gz MQLCPFZWRMVTPU-CABZTGNLSA-N 0 0 346.305 1.185 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C[C@@H]1C ZINC000246596891 442795891 /nfs/dbraw/zinc/79/58/91/442795891.db2.gz BCIRGTLYXFTAPR-LMRQPLJMSA-N 0 0 338.398 1.982 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000188535968 442761248 /nfs/dbraw/zinc/76/12/48/442761248.db2.gz LQPOMLUGLFHXEQ-OFQRWUPVSA-N 0 0 345.443 1.520 10 0 EDAERN Cc1cnn(-c2ccc(C(=O)N3CC(NC(=O)C4CCC4)C3)cc2)c1 ZINC000188561223 442763407 /nfs/dbraw/zinc/76/34/07/442763407.db2.gz AJGUBBRJUXWMNY-UHFFFAOYSA-N 0 0 338.411 1.921 10 0 EDAERN CCN(CC)C(=O)[C@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182396371 442763467 /nfs/dbraw/zinc/76/34/67/442763467.db2.gz QJQCJPSHULANGG-NSHDSACASA-N 0 0 330.454 1.110 10 0 EDAERN CN1CCO[C@H](CNC(=O)N(Cc2c(F)cccc2F)C2CC2)C1 ZINC000188633561 442775453 /nfs/dbraw/zinc/77/54/53/442775453.db2.gz ASAFOGRUGVRCEI-CYBMUJFWSA-N 0 0 339.386 1.969 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)N[C@@H](C)[C@H](C)OC)CC2)cn1 ZINC000188866809 442831417 /nfs/dbraw/zinc/83/14/17/442831417.db2.gz GANBFEQITKUGEW-GJZGRUSLSA-N 0 0 337.468 1.544 10 0 EDAERN O=C(c1ccccc1-n1ccnn1)N1CCO[C@H](c2nccs2)C1 ZINC000182726191 442815211 /nfs/dbraw/zinc/81/52/11/442815211.db2.gz JLNWFFPZPSPZOU-AWEZNQCLSA-N 0 0 341.396 1.938 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C(C)C)N2CCCC2=O)C[C@H]1C ZINC000246934485 442822451 /nfs/dbraw/zinc/82/24/51/442822451.db2.gz BWMTXHDAQJEIMR-WBVHZDCISA-N 0 0 339.480 1.203 10 0 EDAERN O=C(c1ccc2c(c1O)CCCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000182874244 442839854 /nfs/dbraw/zinc/83/98/54/442839854.db2.gz VBIVJIDVHQWOCR-OAHLLOKOSA-N 0 0 330.428 1.818 10 0 EDAERN CC(=O)CCc1ccc(OCCC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188920734 442842607 /nfs/dbraw/zinc/84/26/07/442842607.db2.gz MXRVAWMEZAZPLQ-HNNXBMFYSA-N 0 0 346.427 1.714 10 0 EDAERN COc1ccc(COCCCC(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188944271 442846681 /nfs/dbraw/zinc/84/66/81/442846681.db2.gz UHMXLUKUUFXZDW-CQSZACIVSA-N 0 0 334.416 1.729 10 0 EDAERN CCCN1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1=O ZINC000189032297 442864312 /nfs/dbraw/zinc/86/43/12/442864312.db2.gz KDAZKYLQZQQXPC-KRWDZBQOSA-N 0 0 331.460 1.630 10 0 EDAERN O=C(CCOCC(F)(F)C(F)(F)F)N[C@@H]1CCCn2ncnc21 ZINC000189104882 442878105 /nfs/dbraw/zinc/87/81/05/442878105.db2.gz FJRNIMKDPZMNDH-MRVPVSSYSA-N 0 0 342.268 1.834 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000248630052 442909984 /nfs/dbraw/zinc/90/99/84/442909984.db2.gz GSDWLEDETIJORS-XJKSGUPXSA-N 0 0 326.462 1.573 10 0 EDAERN CC(C)Oc1ccc(CCNC(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189296055 442914214 /nfs/dbraw/zinc/91/42/14/442914214.db2.gz DNJWSMDWYVAYIT-OAHLLOKOSA-N 0 0 347.459 1.343 10 0 EDAERN Cn1cc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cn1 ZINC000183278955 442916551 /nfs/dbraw/zinc/91/65/51/442916551.db2.gz XOEASNOCAPSCPU-FPMFFAJLSA-N 0 0 334.420 1.795 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)[C@@H](C)C[S@@](C)=O ZINC000248748403 442924296 /nfs/dbraw/zinc/92/42/96/442924296.db2.gz SPLUKPWHGIDRDL-YEZLUTFDSA-N 0 0 325.434 1.422 10 0 EDAERN Cc1cccnc1C(F)(F)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000194692853 442938274 /nfs/dbraw/zinc/93/82/74/442938274.db2.gz KKYQJYBCDFAFMA-ZDUSSCGKSA-N 0 0 325.359 1.415 10 0 EDAERN COc1cccc2c1OCC(C(=O)N1CC(NC(=O)C3CC3)C1)=C2 ZINC000189413448 442945246 /nfs/dbraw/zinc/94/52/46/442945246.db2.gz FARFPZMHIMYKHM-UHFFFAOYSA-N 0 0 328.368 1.208 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)c3nnnn3C3CCCCC3)CCO2)[nH]1 ZINC000189449798 442956714 /nfs/dbraw/zinc/95/67/14/442956714.db2.gz CJOTYBXFNYYHIL-SMDDNHRTSA-N 0 0 346.439 1.739 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1)C1CC1 ZINC000189487780 442966535 /nfs/dbraw/zinc/96/65/35/442966535.db2.gz JBMLTGXSNLEUED-GJZGRUSLSA-N 0 0 342.395 1.298 10 0 EDAERN COCCCOc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189507386 442969912 /nfs/dbraw/zinc/96/99/12/442969912.db2.gz DNBUPVFOBYFENG-UHFFFAOYSA-N 0 0 332.400 1.453 10 0 EDAERN Cn1cc(CCC(=O)N2CC(NC(=O)C3CC3)C2)c2ccccc21 ZINC000189507864 442969922 /nfs/dbraw/zinc/96/99/22/442969922.db2.gz FDHUYIOUQAFORB-UHFFFAOYSA-N 0 0 325.412 1.848 10 0 EDAERN CC(C)n1nnnc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000195016296 442976239 /nfs/dbraw/zinc/97/62/39/442976239.db2.gz OBZMPLSBIACTJN-UHFFFAOYSA-N 0 0 336.421 1.924 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195077877 442980739 /nfs/dbraw/zinc/98/07/39/442980739.db2.gz QKUXMYXYBDPJQP-CQSZACIVSA-N 0 0 336.457 1.791 10 0 EDAERN C[C@H]1C(=O)N(C)CCN1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000249541335 442983460 /nfs/dbraw/zinc/98/34/60/442983460.db2.gz DZFSVJHYRMBMIQ-SWLSCSKDSA-N 0 0 326.824 1.380 10 0 EDAERN CCn1ccnc1CS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000195161136 442990699 /nfs/dbraw/zinc/99/06/99/442990699.db2.gz JKFZWRDXCKXQNB-UHFFFAOYSA-N 0 0 337.430 1.647 10 0 EDAERN CCN1CCC[C@H](NC(=O)Cc2cccc(S(=O)(=O)CC)c2)C1 ZINC000184110307 442993281 /nfs/dbraw/zinc/99/32/81/442993281.db2.gz BHEXPYYHKIMMMD-HNNXBMFYSA-N 0 0 338.473 1.623 10 0 EDAERN CCCCOC[C@H](O)CN1CCN([C@@H](C)c2nccs2)CC1 ZINC000195218935 442997984 /nfs/dbraw/zinc/99/79/84/442997984.db2.gz VMKZZBXWYSNDTP-LSDHHAIUSA-N 0 0 327.494 1.999 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CCC1=O ZINC000249116901 442952583 /nfs/dbraw/zinc/95/25/83/442952583.db2.gz SKPQRNKUKRLDQP-WHCBVINPSA-N 0 0 332.375 1.783 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 ZINC000195406235 443016453 /nfs/dbraw/zinc/01/64/53/443016453.db2.gz YYJGRGPZWQEYDF-AWEZNQCLSA-N 0 0 328.416 1.784 10 0 EDAERN CCn1c(-c2ccc(O)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512102 443025539 /nfs/dbraw/zinc/02/55/39/443025539.db2.gz VIJHDVKEKWYFSB-UHFFFAOYSA-N 0 0 330.344 1.307 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000184223473 443004251 /nfs/dbraw/zinc/00/42/51/443004251.db2.gz VIYIYPCNDDZJHB-INIZCTEOSA-N 0 0 348.447 1.358 10 0 EDAERN Cc1cc(C(=O)N2CCCn3ccnc3[C@H]2c2cnn(C)c2)[nH]n1 ZINC000253414611 443059978 /nfs/dbraw/zinc/05/99/78/443059978.db2.gz XYRCQZQXLYFZGR-CQSZACIVSA-N 0 0 325.376 1.284 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCOCC(F)F)CC2 ZINC000190181656 443068085 /nfs/dbraw/zinc/06/80/85/443068085.db2.gz RFVJCMCUAIVXLB-SNVBAGLBSA-N 0 0 331.367 1.297 10 0 EDAERN O=C1C[C@@H]2[C@@H](C[C@@H](O)[C@H]2/C=C\[C@H](O)COc2cccc(Cl)c2)O1 ZINC000253496112 443072565 /nfs/dbraw/zinc/07/25/65/443072565.db2.gz GNPPCWNVUFFTIJ-XUMNHQRPSA-N 0 0 338.787 1.948 10 0 EDAERN Cc1noc([C@H]2COCCN2C[C@H](O)COCc2cccs2)n1 ZINC000185082611 443132819 /nfs/dbraw/zinc/13/28/19/443132819.db2.gz CNOZTWGOGPRUCT-GXTWGEPZSA-N 0 0 339.417 1.391 10 0 EDAERN O=C(CNC(=O)N1CCC(O)(c2ccccc2)CC1)NCC1CC1 ZINC000185123761 443142763 /nfs/dbraw/zinc/14/27/63/443142763.db2.gz HEVXWPYNPLRLMJ-UHFFFAOYSA-N 0 0 331.416 1.206 10 0 EDAERN CCCCOc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000190420342 443105417 /nfs/dbraw/zinc/10/54/17/443105417.db2.gz MFABVOKHZQRUOM-ZDUSSCGKSA-N 0 0 330.392 1.989 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000190465782 443113780 /nfs/dbraw/zinc/11/37/80/443113780.db2.gz OGGHSNJOVSKRHR-CQSZACIVSA-N 0 0 344.415 1.277 10 0 EDAERN CCO[C@@H]1C[C@@H](N[C@H](C(=O)OC)c2cccnc2)C12CCOCC2 ZINC000185005277 443116426 /nfs/dbraw/zinc/11/64/26/443116426.db2.gz DZBCLEBCFAFOTK-OAGGEKHMSA-N 0 0 334.416 1.860 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)N2CCCc3ccccc32)n1 ZINC000185067727 443128973 /nfs/dbraw/zinc/12/89/73/443128973.db2.gz WRWSYQZAFVFYCX-MRXNPFEDSA-N 0 0 342.399 1.731 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cc1CC ZINC000190682343 443164268 /nfs/dbraw/zinc/16/42/68/443164268.db2.gz YOVGNHAXBWECLI-GFCCVEGCSA-N 0 0 331.416 1.487 10 0 EDAERN COC[C@H](C)CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190715329 443169190 /nfs/dbraw/zinc/16/91/90/443169190.db2.gz WMYQJCSURCBHBJ-NVXWUHKLSA-N 0 0 334.464 1.827 10 0 EDAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)cn1 ZINC000190753610 443177147 /nfs/dbraw/zinc/17/71/47/443177147.db2.gz GCQSZVDVOGMRTA-AAEUAGOBSA-N 0 0 335.433 1.760 10 0 EDAERN NC(=O)c1ncc(I)cc1OC(F)(F)F ZINC000238659017 443197170 /nfs/dbraw/zinc/19/71/70/443197170.db2.gz PCRRTUMNWRMFKP-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CCCNC(=O)C1CCCC1 ZINC000190819731 443189808 /nfs/dbraw/zinc/18/98/08/443189808.db2.gz SIWLUTQLYCSDEQ-JOCHJYFZSA-N 0 0 327.454 1.199 10 0 EDAERN CO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000245674515 443244198 /nfs/dbraw/zinc/24/41/98/443244198.db2.gz STKFLQMAVKXJFX-HLLBOEOZSA-N 0 0 334.391 1.983 10 0 EDAERN CO[C@@H]1CC[C@@H]2OCCN(Cc3nnnn3CC(F)(F)F)[C@@H]2C1 ZINC000191008082 443224197 /nfs/dbraw/zinc/22/41/97/443224197.db2.gz FLYNJJXLRCMUQJ-MXWKQRLJSA-N 0 0 335.330 1.004 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CCCO1 ZINC000245692686 443244816 /nfs/dbraw/zinc/24/48/16/443244816.db2.gz XLNAYJWJCMDAQZ-PVUWLOKVSA-N 0 0 334.391 1.983 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000190874182 443201845 /nfs/dbraw/zinc/20/18/45/443201845.db2.gz KFYGRBDBXBLRQV-MRXNPFEDSA-N 0 0 345.443 1.511 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CC(c4cccnc4)=NO3)C2)c1 ZINC000191348978 443281854 /nfs/dbraw/zinc/28/18/54/443281854.db2.gz DZRIBYZYGPNSND-RDJZCZTQSA-N 0 0 339.399 1.943 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)C1 ZINC000191344945 443281886 /nfs/dbraw/zinc/28/18/86/443281886.db2.gz KKQWEIFSAGDRLZ-UHFFFAOYSA-N 0 0 344.198 1.587 10 0 EDAERN COC1(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)CCCCC1 ZINC000185923900 443284042 /nfs/dbraw/zinc/28/40/42/443284042.db2.gz KVNJSDMGOPFWLZ-HNNXBMFYSA-N 0 0 336.436 1.643 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCCOCC(F)F)[C@@H]1c1ccccc1 ZINC000191382395 443287741 /nfs/dbraw/zinc/28/77/41/443287741.db2.gz SMDIAJFFQXGTPX-CJNGLKHVSA-N 0 0 340.370 1.994 10 0 EDAERN CCOCCC1(CNC(=O)N2CCCNC(=O)[C@H]2C)CCCC1 ZINC000191481334 443300631 /nfs/dbraw/zinc/30/06/31/443300631.db2.gz DSDFTTYEJYHYSA-CQSZACIVSA-N 0 0 325.453 1.893 10 0 EDAERN CC(=O)NC1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000191484572 443301425 /nfs/dbraw/zinc/30/14/25/443301425.db2.gz QTTNJCSVBCQGKD-ZDUSSCGKSA-N 0 0 331.199 1.764 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000191477594 443299773 /nfs/dbraw/zinc/29/97/73/443299773.db2.gz FYNHVUMYADUFDX-CQSZACIVSA-N 0 0 335.791 1.040 10 0 EDAERN CC(C)Nc1ncccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746150 444133617 /nfs/dbraw/zinc/13/36/17/444133617.db2.gz VRQQSTBMPFOWEM-GHMZBOCLSA-N 0 0 344.337 1.638 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3cccc4cc[nH]c43)CC[C@@H]21 ZINC000299745806 444133750 /nfs/dbraw/zinc/13/37/50/444133750.db2.gz SNUDQKXULFRCKT-CABCVRRESA-N 0 0 342.399 1.423 10 0 EDAERN Cc1cc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)c(C#N)c(C)n1 ZINC000299738818 444127759 /nfs/dbraw/zinc/12/77/59/444127759.db2.gz GWCMPDOAOFQPBW-LBPRGKRZSA-N 0 0 325.376 1.102 10 0 EDAERN COc1c(C)cnc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)c1C ZINC000328647152 444412982 /nfs/dbraw/zinc/41/29/82/444412982.db2.gz TUHWBOQCMYJEDD-GFCCVEGCSA-N 0 0 331.376 1.526 10 0 EDAERN Cc1ncccc1O[C@H]1CCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000328620244 444396664 /nfs/dbraw/zinc/39/66/64/444396664.db2.gz GVLKUOKXTVBELZ-HNNXBMFYSA-N 0 0 339.461 1.964 10 0 EDAERN CCc1c(OC)cc(I)cc1S(N)(=O)=O ZINC000575704695 447881482 /nfs/dbraw/zinc/88/14/82/447881482.db2.gz AWGICKNIGWRFFQ-UHFFFAOYSA-N 0 0 341.170 1.510 10 0 EDAERN CCc1ccc(I)c(S(N)(=O)=O)c1OC ZINC000575705875 447881947 /nfs/dbraw/zinc/88/19/47/447881947.db2.gz KKMVMPPTULHCGN-UHFFFAOYSA-N 0 0 341.170 1.510 10 0 EDAERN CC(C)CCS(=O)(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616387 448442361 /nfs/dbraw/zinc/44/23/61/448442361.db2.gz MLEZQVJFALGTPK-AWEZNQCLSA-N 0 0 330.454 1.128 10 0 EDAERN Cn1nnc2ccc(C(=O)N[C@H]3CC[C@H](C(F)(F)F)N(C)C3)cc21 ZINC000583618073 448446819 /nfs/dbraw/zinc/44/68/19/448446819.db2.gz ABDKWWIRHAPBPU-GXFFZTMASA-N 0 0 341.337 1.723 10 0 EDAERN CC(=O)NCCNC(=O)c1nc(-c2ccc(Cl)cc2)cnc1N ZINC000584661617 448590628 /nfs/dbraw/zinc/59/06/28/448590628.db2.gz HBSQQJUQTHIHLQ-UHFFFAOYSA-N 0 0 333.779 1.245 10 0 EDAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1cc(Cl)ccc1Cl ZINC000625596349 450443671 /nfs/dbraw/zinc/44/36/71/450443671.db2.gz KQKBTJOXQNBWEP-ZJUUUORDSA-N 0 0 326.201 1.422 10 0 EDAERN Nc1cc([C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)ccn1 ZINC000616595210 450454707 /nfs/dbraw/zinc/45/47/07/450454707.db2.gz RREKJVNTYUXISW-AWEZNQCLSA-N 0 0 333.413 1.469 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCO[C@H](n2ccc(N)n2)C1 ZINC000616680126 450460264 /nfs/dbraw/zinc/46/02/64/450460264.db2.gz NJJAFVWTPRATPF-ZDUSSCGKSA-N 0 0 325.413 1.211 10 0 EDAERN CCC[C@@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000630571482 451251830 /nfs/dbraw/zinc/25/18/30/451251830.db2.gz NVSMNPOFOPLEHN-MRXNPFEDSA-N 0 0 347.459 1.740 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1c[nH]nc1-c1ccccc1 ZINC000644403209 453413380 /nfs/dbraw/zinc/41/33/80/453413380.db2.gz LWGRKJOQHTZSEX-AWEZNQCLSA-N 0 0 328.372 1.389 10 0 EDAERN O[C@@]1(Cn2ccnn2)CCN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000671550978 486649532 /nfs/dbraw/zinc/64/95/32/486649532.db2.gz LADPJINRSLCESN-INIZCTEOSA-N 0 0 344.350 1.104 10 0 EDAERN COCCNC(=O)c1nc2nc(C)cc(C)c2c(N2CCCC2)n1 ZINC000065232000 490997111 /nfs/dbraw/zinc/99/71/11/490997111.db2.gz YBWGCGRZROEPLC-UHFFFAOYSA-N 0 0 329.404 1.618 10 0 EDAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000166783007 534147360 /nfs/dbraw/zinc/14/73/60/534147360.db2.gz SJFGERZTKNLJLS-BQBZGAKWSA-N 0 0 327.233 1.871 10 0 EDAERN COC(=O)c1cccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173852239 534255823 /nfs/dbraw/zinc/25/58/23/534255823.db2.gz WEQSWJHOZLYLNZ-CZUORRHYSA-N 0 0 332.400 1.266 10 0 EDAERN O=C(Nc1ccccc1Cl)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174009977 534389145 /nfs/dbraw/zinc/38/91/45/534389145.db2.gz VSIGGWZMLLSADS-GFCCVEGCSA-N 0 0 337.807 1.212 10 0 EDAERN O=C(NCCc1c[nH]c2ccccc12)N1CC[C@H](N2CCOCC2)C1 ZINC000173781305 534438811 /nfs/dbraw/zinc/43/88/11/534438811.db2.gz DPXWEGJYSZPSBQ-INIZCTEOSA-N 0 0 342.443 1.827 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000124256458 534857226 /nfs/dbraw/zinc/85/72/26/534857226.db2.gz BXJPKFOOYHTXJL-VIFPVBQESA-N 0 0 327.406 1.310 10 0 EDAERN COC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246731428 536457696 /nfs/dbraw/zinc/45/76/96/536457696.db2.gz PKZICYVITXLEFN-IAGOWNOFSA-N 0 0 329.400 1.807 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000189738221 526709647 /nfs/dbraw/zinc/70/96/47/526709647.db2.gz BQTIGCUOXKVYHG-UHFFFAOYSA-N 0 0 331.294 1.615 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000188521132 527598371 /nfs/dbraw/zinc/59/83/71/527598371.db2.gz VCNJDAQFMTZVEN-CYBMUJFWSA-N 0 0 344.419 1.045 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Oc1ccc(C(=O)NCC)cc1 ZINC000184414314 528480913 /nfs/dbraw/zinc/48/09/13/528480913.db2.gz XHAOOLJISDTIEP-MRXNPFEDSA-N 0 0 334.416 1.843 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)NCC1CCCCC1 ZINC000176575555 528705044 /nfs/dbraw/zinc/70/50/44/528705044.db2.gz XACLZKDDPUDWEW-SPSFWMDKSA-N 0 0 341.481 1.588 10 0 EDAERN CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000190039217 529155683 /nfs/dbraw/zinc/15/56/83/529155683.db2.gz KBRVTSXIYKLMOE-WFASDCNBSA-N 0 0 325.430 1.912 10 0 EDAERN CC[C@@H]1C(=O)N[C@@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168876009 529266451 /nfs/dbraw/zinc/26/64/51/529266451.db2.gz NWTCMOKIKTWYED-GZMMTYOYSA-N 0 0 326.194 1.470 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CNC(=O)CC(C)(C)C)CC2 ZINC000195292870 535027234 /nfs/dbraw/zinc/02/72/34/535027234.db2.gz FQYBQTZVYZPDFA-GFCCVEGCSA-N 0 0 335.452 1.385 10 0 EDAERN CCC(CC)NC(=O)[C@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247122981 535069749 /nfs/dbraw/zinc/06/97/49/535069749.db2.gz JTNLWDBMBYYQID-DOTOQJQBSA-N 0 0 336.480 1.894 10 0 EDAERN CCCCc1ccc(C(=O)CCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091781903 535082736 /nfs/dbraw/zinc/08/27/36/535082736.db2.gz LOKLWMZZFOIAMC-INIZCTEOSA-N 0 0 346.427 1.705 10 0 EDAERN CCn1cc(C2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cn1 ZINC000195500431 536034652 /nfs/dbraw/zinc/03/46/52/536034652.db2.gz XOPRTGWQJIXCGW-UHFFFAOYSA-N 0 0 335.452 1.707 10 0 EDAERN COCCN1CCN(CC(=O)N(C)C2CCC(C)CC2)C[C@@H]1C ZINC000247387229 536873041 /nfs/dbraw/zinc/87/30/41/536873041.db2.gz WSDXECBWOHAKJP-CGZBRXJRSA-N 0 0 325.497 1.676 10 0 EDAERN COc1ccccc1C[C@@H]1CCCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000246554017 537053140 /nfs/dbraw/zinc/05/31/40/537053140.db2.gz YMXKWBVLADKVON-DLBZAZTESA-N 0 0 347.459 1.742 10 0 EDAERN COc1ccnc(N2CCN(Cc3nnc(C(C)C)n3C)CC2)n1 ZINC000195103144 537118432 /nfs/dbraw/zinc/11/84/32/537118432.db2.gz MWEGYKCNNVTWBO-UHFFFAOYSA-N 0 0 331.424 1.059 10 0 EDAERN CCc1noc([C@]2(O)CCN(S(=O)(=O)/C=C\c3ccccc3)C2)n1 ZINC000779876700 580500673 /nfs/dbraw/zinc/50/06/73/580500673.db2.gz XMZZARBEOUTRSC-CLOOOTJHSA-N 0 0 349.412 1.526 10 0 EDAERN CC(=CC(=O)N1CCC[C@](O)(c2cn[nH]n2)C1)c1cccc(F)c1 ZINC000794062414 580870455 /nfs/dbraw/zinc/87/04/55/580870455.db2.gz TVBBJOQZHRYDJF-FWVUHSSSSA-N 0 0 330.363 1.857 10 0 EDAERN Cn1ccc(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)n1 ZINC000888076039 590929398 /nfs/dbraw/zinc/92/93/98/590929398.db2.gz RITVDAMAZLVJJI-WFASDCNBSA-N 0 0 342.403 1.234 10 0 EDAERN O=S(=O)(Cc1cccc(F)c1)[N-]c1ccc([C@@H]2CCC[NH2+]2)nn1 ZINC000888076053 590929587 /nfs/dbraw/zinc/92/95/87/590929587.db2.gz SPPHQAAWKGUTGV-ZDUSSCGKSA-N 0 0 336.392 1.982 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000888077419 590933296 /nfs/dbraw/zinc/93/32/96/590933296.db2.gz ABRLTFRUZQBVJK-HUUCEWRRSA-N 0 0 338.371 1.593 10 0 EDAERN O=C(NC[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O)C1Cc2ccccc2C1 ZINC000888094782 591024477 /nfs/dbraw/zinc/02/44/77/591024477.db2.gz CTOJYPRBFYGTIA-KBMXLJTQSA-N 0 0 326.400 1.190 10 0 EDAERN CN(C)c1cc(CNC(=O)N2CCC[C@@H](n3ccnn3)C2)ccn1 ZINC000888103158 591031657 /nfs/dbraw/zinc/03/16/57/591031657.db2.gz LNMNGEBZHZPAOT-CQSZACIVSA-N 0 0 329.408 1.286 10 0 EDAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cnc3onc(C)c3c2)C1 ZINC000894719162 591395319 /nfs/dbraw/zinc/39/53/19/591395319.db2.gz OSAZUHZOFKAWQD-HOCLYGCPSA-N 0 0 344.415 1.743 10 0 EDAERN C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC000898790428 591532948 /nfs/dbraw/zinc/53/29/48/591532948.db2.gz GLEGAUCFNHSBDP-ICCXJUOJSA-N 0 0 346.353 1.968 10 0 EDAERN COCCN1C[C@@H](C(=O)O[C@H](C)c2nc3ccccc3[nH]2)CC1=O ZINC000103695336 593110930 /nfs/dbraw/zinc/11/09/30/593110930.db2.gz PGMVIBOJSLHQTC-NEPJUHHUSA-N 0 0 331.372 1.662 10 0 EDAERN COc1cccc(Cl)c1CNC(=O)[C@@H]1Cn2c(C)nnc2CN1 ZINC000818215117 593684110 /nfs/dbraw/zinc/68/41/10/593684110.db2.gz YFNQPLSLCWWUIC-LBPRGKRZSA-N 0 0 335.795 1.037 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cn2ncc3ccccc3c2=O)C1 ZINC000101538822 595166362 /nfs/dbraw/zinc/16/63/62/595166362.db2.gz AUMNUBKUUIRESX-OAHLLOKOSA-N 0 0 328.416 1.735 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cn2cc(Br)cn2)C1 ZINC000101538722 595166413 /nfs/dbraw/zinc/16/64/13/595166413.db2.gz YGCGOQXYNHBWPQ-GFCCVEGCSA-N 0 0 329.242 1.984 10 0 EDAERN Cn1cc([C@@H]2[C@H](C(=O)OCCOC(C)(C)C)CCC(=O)N2C)cn1 ZINC000115737940 595667654 /nfs/dbraw/zinc/66/76/54/595667654.db2.gz FKHVFUWWYFQZKH-UKRRQHHQSA-N 0 0 337.420 1.688 10 0 EDAERN Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3ccc(F)cc3F)C2)n[nH]1 ZINC000857346194 596219417 /nfs/dbraw/zinc/21/94/17/596219417.db2.gz UMZVPHWHQPYQSR-IMSIIYSGSA-N 0 0 336.342 1.676 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CCn1cnc2ccccc2c1=O ZINC000119217538 596483763 /nfs/dbraw/zinc/48/37/63/596483763.db2.gz BCGHYHCGVFESKE-UHFFFAOYSA-N 0 0 346.412 1.228 10 0 EDAERN CN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126566819 597532422 /nfs/dbraw/zinc/53/24/22/597532422.db2.gz YPLRIMFBSMUHBC-CYBMUJFWSA-N 0 0 330.837 1.075 10 0 EDAERN C[C@H](OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[C@@H]1CCOC1 ZINC000175252789 697709403 /nfs/dbraw/zinc/70/94/03/697709403.db2.gz KGHDWBPTNGSLFK-NWDGAFQWSA-N 0 0 332.356 1.048 10 0 EDAERN CCc1nn(C)cc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180168741 698634613 /nfs/dbraw/zinc/63/46/13/698634613.db2.gz SOSMPDUCGZHIED-SFHVURJKSA-N 0 0 342.443 1.474 10 0 EDAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O[C@H](C)c1nnc(C)o1 ZINC000182120413 700450061 /nfs/dbraw/zinc/45/00/61/700450061.db2.gz RTGVYLJRQGOXKH-MEBBXXQBSA-N 0 0 329.356 1.956 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccccc2)CC1 ZINC000175875607 282103892 /nfs/dbraw/zinc/10/38/92/282103892.db2.gz HEGUZDZFGSTWEH-MRXNPFEDSA-N 0 0 340.431 1.953 10 0 EDAERN COc1cc(Br)c([C@@H](O)[C@H]2COCCO2)cc1OC ZINC000055303334 214303745 /nfs/dbraw/zinc/30/37/45/214303745.db2.gz KTQVJIZRQULHLB-CHWSQXEVSA-N 0 0 333.178 1.915 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000173734602 231018050 /nfs/dbraw/zinc/01/80/50/231018050.db2.gz BBZVNUZHBAWSCW-CYBMUJFWSA-N 0 0 340.380 1.323 10 0 EDAERN CC[C@@]1(C)NC(=O)CCN(Cc2ccc(Br)cn2)C1=O ZINC000168919398 529538195 /nfs/dbraw/zinc/53/81/95/529538195.db2.gz OHLQYRPBBZWYEO-CQSZACIVSA-N 0 0 340.221 1.861 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(C(C)C)n[nH]3)C2=O)n(C)n1 ZINC000175009951 231366052 /nfs/dbraw/zinc/36/60/52/231366052.db2.gz PBKBGFPPZKYZNX-GFCCVEGCSA-N 0 0 344.419 1.500 10 0 EDAERN COc1ccc(NC(=O)C[S@](=O)Cc2nnnn2C(C)C)cc1 ZINC000176570259 231683536 /nfs/dbraw/zinc/68/35/36/231683536.db2.gz UPKFXZWBEMUDJD-HSZRJFAPSA-N 0 0 337.405 1.150 10 0 EDAERN CC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000012206274 201832868 /nfs/dbraw/zinc/83/28/68/201832868.db2.gz PWENANKAYCLIHR-UHFFFAOYSA-N 0 0 334.399 1.311 10 0 EDAERN Cc1csc([C@@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)n1 ZINC000249203396 539697788 /nfs/dbraw/zinc/69/77/88/539697788.db2.gz APQCESMVHHHFIP-OLZOCXBDSA-N 0 0 346.474 1.724 10 0 EDAERN COC[C@@H](C)C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000103520948 219311432 /nfs/dbraw/zinc/31/14/32/219311432.db2.gz ULSQLKYBMUEJHV-ZYHUDNBSSA-N 0 0 335.322 1.844 10 0 EDAERN O=C(CNC(=O)N1CCCC[C@@H]1c1nccs1)N1CCOCC1 ZINC000181850355 234350171 /nfs/dbraw/zinc/35/01/71/234350171.db2.gz OBNVPQGCSCHDQS-GFCCVEGCSA-N 0 0 338.433 1.239 10 0 EDAERN CN1CCO[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21 ZINC000299741691 283010301 /nfs/dbraw/zinc/01/03/01/283010301.db2.gz AEJTZZKAIJWCTA-UONOGXRCSA-N 0 0 339.317 1.732 10 0 EDAERN CN(CCC(N)=S)S(=O)(=O)c1ccc(Br)cc1 ZINC000019834842 202023000 /nfs/dbraw/zinc/02/30/00/202023000.db2.gz BLGIJMRXNAKJRQ-UHFFFAOYSA-N 0 0 337.264 1.746 10 0 EDAERN C[C@H](CNC(=O)NCCc1nn(C)c2ccccc12)N1CCOCC1 ZINC000187333903 540154414 /nfs/dbraw/zinc/15/44/14/540154414.db2.gz WAKAEQAJBJXLJN-CQSZACIVSA-N 0 0 345.447 1.136 10 0 EDAERN CCOc1cnc(C(=O)N2CCCN(c3cccnn3)CC2)cn1 ZINC000189135046 540163311 /nfs/dbraw/zinc/16/33/11/540163311.db2.gz HRTDEIJZGSRFSJ-UHFFFAOYSA-N 0 0 328.376 1.018 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000190995142 540172479 /nfs/dbraw/zinc/17/24/79/540172479.db2.gz MBROXVYZZLQUTJ-XJKSGUPXSA-N 0 0 342.399 1.742 10 0 EDAERN COc1ccc2ccccc2c1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000192549269 540179889 /nfs/dbraw/zinc/17/98/89/540179889.db2.gz UWCBVEUGGLULOH-RHSMWYFYSA-N 0 0 342.395 1.446 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)C[C@H](C)O1 ZINC000192973412 540181319 /nfs/dbraw/zinc/18/13/19/540181319.db2.gz ZWVHRNNQQDYICA-IUCAKERBSA-N 0 0 331.294 1.675 10 0 EDAERN O=C(COc1ccccc1)NCC(=O)N[C@H]1COc2ccccc21 ZINC000060471846 138162867 /nfs/dbraw/zinc/16/28/67/138162867.db2.gz CCUCDNBAZWGBJM-HNNXBMFYSA-N 0 0 326.352 1.432 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1ccc(F)cc1F ZINC000037859592 202045208 /nfs/dbraw/zinc/04/52/08/202045208.db2.gz RZMZLASTXUGUEH-UHFFFAOYSA-N 0 0 334.369 1.844 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000069099427 138197852 /nfs/dbraw/zinc/19/78/52/138197852.db2.gz DNHKQMCJNDKSBC-OLZOCXBDSA-N 0 0 348.424 1.979 10 0 EDAERN COCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000020580521 202049869 /nfs/dbraw/zinc/04/98/69/202049869.db2.gz WUDOUTUKMDBQTB-NSHDSACASA-N 0 0 346.412 1.952 10 0 EDAERN COCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000020580524 202050074 /nfs/dbraw/zinc/05/00/74/202050074.db2.gz WUDOUTUKMDBQTB-LLVKDONJSA-N 0 0 346.412 1.952 10 0 EDAERN CN(C[C@H](O)CO)c1nncc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000020909260 202057835 /nfs/dbraw/zinc/05/78/35/202057835.db2.gz ICGYNALAXVRFRI-NSHDSACASA-N 0 0 328.294 1.347 10 0 EDAERN CCN1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1 ZINC000037928804 202064988 /nfs/dbraw/zinc/06/49/88/202064988.db2.gz IYWTYKWYTRBIFK-UHFFFAOYSA-N 0 0 348.266 1.358 10 0 EDAERN COC(=O)[C@H](CSc1cc(NC(C)=O)ccc1O)NC(C)=O ZINC000022047233 202077559 /nfs/dbraw/zinc/07/75/59/202077559.db2.gz ZANDXAUAPYAINA-NSHDSACASA-N 0 0 326.374 1.120 10 0 in-vitro EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](CCCO)c2ccccc2)C1 ZINC000077879899 138255778 /nfs/dbraw/zinc/25/57/78/138255778.db2.gz YIVRMNHNTPWFAB-IAGOWNOFSA-N 0 0 333.432 1.810 10 0 EDAERN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cn2)n1 ZINC000080136760 138263649 /nfs/dbraw/zinc/26/36/49/138263649.db2.gz HFSFNATUCDVFOF-ZDUSSCGKSA-N 0 0 329.404 1.983 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C[C@@H](C)O1 ZINC000080975844 138265245 /nfs/dbraw/zinc/26/52/45/138265245.db2.gz SVWYHZDYAAYVPZ-RBSFLKMASA-N 0 0 337.464 1.986 10 0 EDAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@@H]2CCCn3nc(CC)nc32)CC1=O ZINC000087563358 138271926 /nfs/dbraw/zinc/27/19/26/138271926.db2.gz CROOHLICKFQEIV-BFHYXJOUSA-N 0 0 347.463 1.829 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000081589445 138267337 /nfs/dbraw/zinc/26/73/37/138267337.db2.gz QYXXUALKHRGFBE-KBPBESRZSA-N 0 0 347.463 1.965 10 0 EDAERN Cc1nc2cc(NC(=O)C(=O)N3CCN4CCCC[C@H]4C3)ccc2o1 ZINC000091244791 138283590 /nfs/dbraw/zinc/28/35/90/138283590.db2.gz RPFMWWLINFPAOI-AWEZNQCLSA-N 0 0 342.399 1.771 10 0 EDAERN CCN(CCO)C(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000098098170 138297630 /nfs/dbraw/zinc/29/76/30/138297630.db2.gz JWBOPGCMFRVCIE-HNNXBMFYSA-N 0 0 347.440 1.524 10 0 EDAERN O=C(CCOC[C@H]1CCCO1)N1CCC(Nc2cccnn2)CC1 ZINC000105814922 138302008 /nfs/dbraw/zinc/30/20/08/138302008.db2.gz HRHNZAKKLMRQIB-OAHLLOKOSA-N 0 0 334.420 1.465 10 0 EDAERN CN(CC(F)(F)F)C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105800042 138301602 /nfs/dbraw/zinc/30/16/02/138301602.db2.gz WIYKXQOCNDLARK-UHFFFAOYSA-N 0 0 331.342 1.009 10 0 EDAERN O=c1cc(CN2CCCN(c3cccnn3)CC2)nc2sccn21 ZINC000105798165 138301760 /nfs/dbraw/zinc/30/17/60/138301760.db2.gz ZJWUWJRFORJWBP-UHFFFAOYSA-N 0 0 342.428 1.258 10 0 EDAERN OC[C@@H](O)CSCc1nnc(-c2ccc(Br)o2)o1 ZINC000093958876 138295156 /nfs/dbraw/zinc/29/51/56/138295156.db2.gz INBGKGRWNSNMCS-ZCFIWIBFSA-N 0 0 335.179 1.679 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000106395475 138303028 /nfs/dbraw/zinc/30/30/28/138303028.db2.gz UWPHOZHPYCFHOX-HIFRSBDPSA-N 0 0 331.416 1.028 10 0 EDAERN COC(=O)CSCCC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000107596521 138304317 /nfs/dbraw/zinc/30/43/17/138304317.db2.gz IKCLPJBMQGQXPQ-CYBMUJFWSA-N 0 0 339.461 1.997 10 0 EDAERN COc1ccc(F)cc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000109923242 138306739 /nfs/dbraw/zinc/30/67/39/138306739.db2.gz UEOHUUMLGPWKLF-UHFFFAOYSA-N 0 0 348.378 1.874 10 0 EDAERN C[C@@H](CNC(=O)Cc1coc(-c2ccc(F)cc2)n1)N1CCOCC1 ZINC000113147262 138309812 /nfs/dbraw/zinc/30/98/12/138309812.db2.gz VCFLUSRMSUUFAL-ZDUSSCGKSA-N 0 0 347.390 1.860 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1ccccc1CC)CC2 ZINC000114863512 138310641 /nfs/dbraw/zinc/31/06/41/138310641.db2.gz NGDKCAYYUYIKPQ-CQSZACIVSA-N 0 0 328.416 1.913 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1cccc(OC)c1)CC2 ZINC000114868214 138310704 /nfs/dbraw/zinc/31/07/04/138310704.db2.gz UYQFDIYVHAQHIP-GFCCVEGCSA-N 0 0 330.388 1.359 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccccc1OC)CC2 ZINC000114875318 138310780 /nfs/dbraw/zinc/31/07/80/138310780.db2.gz MFFKOEWXFQMXRO-ZDUSSCGKSA-N 0 0 329.404 1.663 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CSc1nc(C)cc(C)n1)CC2 ZINC000114870640 138310785 /nfs/dbraw/zinc/31/07/85/138310785.db2.gz MOOKOCIMWSQBKM-GFCCVEGCSA-N 0 0 346.460 1.471 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116466609 138311939 /nfs/dbraw/zinc/31/19/39/138311939.db2.gz VVFQFXQEMFKGID-CQSZACIVSA-N 0 0 326.400 1.474 10 0 EDAERN CN(C)c1ncccc1CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000123062180 138318747 /nfs/dbraw/zinc/31/87/47/138318747.db2.gz IVNHPPODVUOASZ-UHFFFAOYSA-N 0 0 342.447 1.966 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000132485713 138377878 /nfs/dbraw/zinc/37/78/78/138377878.db2.gz LHTIFBULPNOHPX-PXAZEXFGSA-N 0 0 332.404 1.131 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000132694262 138381103 /nfs/dbraw/zinc/38/11/03/138381103.db2.gz RSUZCDXLCHNNAB-KBPBESRZSA-N 0 0 334.420 1.418 10 0 EDAERN CNC(=O)C1CCC(NC(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)CC1 ZINC000333739337 283284758 /nfs/dbraw/zinc/28/47/58/283284758.db2.gz LFBAGVUUWYWZNN-GULCKSEBSA-N 0 0 337.464 1.890 10 0 EDAERN Cc1nccc(CNC(=O)N2CCC(Nc3cccnn3)CC2)n1 ZINC000153896308 138506013 /nfs/dbraw/zinc/50/60/13/138506013.db2.gz STGAKKDTYZWVGF-UHFFFAOYSA-N 0 0 327.392 1.361 10 0 EDAERN Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(C)CC3)c2cc1C ZINC000033005530 202246444 /nfs/dbraw/zinc/24/64/44/202246444.db2.gz MUHUFQDGGVOTMZ-UHFFFAOYSA-N 0 0 342.443 1.486 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3ccnn3C(C)C)CCO2)[nH]1 ZINC000173356279 138670170 /nfs/dbraw/zinc/67/01/70/138670170.db2.gz GBGWMOBFYKHEKN-AAEUAGOBSA-N 0 0 347.423 1.291 10 0 EDAERN CCc1nnc([C@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)[nH]1 ZINC000173738366 138673954 /nfs/dbraw/zinc/67/39/54/138673954.db2.gz UGTUGCRPZZFGQZ-CYBMUJFWSA-N 0 0 336.417 1.270 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1)C(C)C ZINC000178589395 138743189 /nfs/dbraw/zinc/74/31/89/138743189.db2.gz FUAVMUDMQFAPBX-HUUCEWRRSA-N 0 0 346.431 1.570 10 0 EDAERN C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nnc2n1CCCC2 ZINC000179573261 138753859 /nfs/dbraw/zinc/75/38/59/138753859.db2.gz CUDWMAVPNVAMAE-NSHDSACASA-N 0 0 338.375 1.081 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1nnc2n1CCCC2 ZINC000179670239 138754396 /nfs/dbraw/zinc/75/43/96/138754396.db2.gz ZBPWCWQOUYVEPL-LLVKDONJSA-N 0 0 345.378 1.361 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NC[C@H]3COC4(CCCCC4)O3)C2)cn1 ZINC000181113793 138764965 /nfs/dbraw/zinc/76/49/65/138764965.db2.gz KVBSSSRWKOVTSP-ZBFHGGJFSA-N 0 0 348.447 1.995 10 0 EDAERN O=C(Nc1ccc(N2CCCCC2)cc1)c1n[nH]c(-n2cnnc2)n1 ZINC000032508810 212805600 /nfs/dbraw/zinc/80/56/00/212805600.db2.gz XAGGNWHDMFCNEJ-UHFFFAOYSA-N 0 0 338.375 1.628 10 0 EDAERN CCC1(CC)C(=O)N[C@@H]1Oc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000033982534 202271841 /nfs/dbraw/zinc/27/18/41/202271841.db2.gz KWUMOFXREQVFQW-GOSISDBHSA-N 0 0 345.443 1.715 10 0 EDAERN Cc1nc(N)sc1S(=O)(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000069366709 202274639 /nfs/dbraw/zinc/27/46/39/202274639.db2.gz VLFLIIWUBJGCPD-JTQLQIEISA-N 0 0 325.415 1.316 10 0 EDAERN CCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1Br ZINC000035058363 202286920 /nfs/dbraw/zinc/28/69/20/202286920.db2.gz CUKIESCVZRXSQY-UHFFFAOYSA-N 0 0 335.223 1.795 10 0 EDAERN C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000035387110 202301353 /nfs/dbraw/zinc/30/13/53/202301353.db2.gz YYRBUDIGUCVPQQ-MRVPVSSYSA-N 0 0 336.207 1.286 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C)CC1 ZINC000036106914 202316004 /nfs/dbraw/zinc/31/60/04/202316004.db2.gz JOSUXSKCMNQAJN-INIZCTEOSA-N 0 0 347.459 1.614 10 0 EDAERN CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)CC1 ZINC000036106959 202316177 /nfs/dbraw/zinc/31/61/77/202316177.db2.gz OKGDYSYGGVDPLB-INIZCTEOSA-N 0 0 332.448 1.997 10 0 EDAERN O=C([C@@H]1CCCO1)N1CC(=O)N2CCc3ccc(Cl)cc3[C@H]2C1 ZINC000036138129 202318041 /nfs/dbraw/zinc/31/80/41/202318041.db2.gz SKLNMGITSQNTTO-CABCVRRESA-N 0 0 334.803 1.787 10 0 EDAERN C[C@H]1CN(S(=O)(=O)CCSc2ccc(N)cc2)C[C@H](C)O1 ZINC000070214223 202319071 /nfs/dbraw/zinc/31/90/71/202319071.db2.gz OMPMDVQWZGIPIN-RYUDHWBXSA-N 0 0 330.475 1.800 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N1CCSCC1 ZINC000037064101 202335422 /nfs/dbraw/zinc/33/54/22/202335422.db2.gz CNWJTIVDCDBFOI-UHFFFAOYSA-N 0 0 337.264 1.769 10 0 EDAERN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1c[nH]ccc1=O ZINC000071224456 202342403 /nfs/dbraw/zinc/34/24/03/202342403.db2.gz IGKMAXGURPBZIC-UHFFFAOYSA-N 0 0 327.793 1.895 10 0 EDAERN CS(=O)(=O)CCN1c2cccc(Br)c2C(=O)C1=O ZINC000037744044 202357445 /nfs/dbraw/zinc/35/74/45/202357445.db2.gz BZCFVGZYVWYILB-UHFFFAOYSA-N 0 0 332.175 1.023 10 0 EDAERN CNC(=O)CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2 ZINC000038828029 202408326 /nfs/dbraw/zinc/40/83/26/202408326.db2.gz BAHNGLXHHONTNC-NSHDSACASA-N 0 0 337.445 1.139 10 0 EDAERN C[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccccc2)C(C)(C)CO1 ZINC000040656311 202457750 /nfs/dbraw/zinc/45/77/50/202457750.db2.gz JDEVZIGPVCFRPP-CYBMUJFWSA-N 0 0 325.430 1.876 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(F)ccc2C)n1 ZINC000183745040 138787547 /nfs/dbraw/zinc/78/75/47/138787547.db2.gz AVFZQOPLTJATQT-GFCCVEGCSA-N 0 0 341.364 1.588 10 0 EDAERN COc1cccc(-n2nc(C(=O)N3CCN(C(C)=O)CC3)cc2C)c1 ZINC000041455503 202481847 /nfs/dbraw/zinc/48/18/47/202481847.db2.gz JGWNGTIPCHSQEH-UHFFFAOYSA-N 0 0 342.399 1.494 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190148116 238250512 /nfs/dbraw/zinc/25/05/12/238250512.db2.gz RYEKWHONKJLJCW-CQSZACIVSA-N 0 0 343.387 1.109 10 0 EDAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113896553 201069471 /nfs/dbraw/zinc/06/94/71/201069471.db2.gz WPJOFFXLDHKQEX-MRXNPFEDSA-N 0 0 337.387 1.682 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)CC2 ZINC000114869242 201071334 /nfs/dbraw/zinc/07/13/34/201071334.db2.gz CYBHKOHHQFTRFL-AWEZNQCLSA-N 0 0 327.388 1.544 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C)c(F)c1)CC2 ZINC000114874764 201071505 /nfs/dbraw/zinc/07/15/05/201071505.db2.gz VVBPILGPYUWICK-LLVKDONJSA-N 0 0 338.408 1.581 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(c3ccccc3)=NO1)CC2 ZINC000114869737 201071722 /nfs/dbraw/zinc/07/17/22/201071722.db2.gz WVNPJLJTMAORIP-ZFWWWQNUSA-N 0 0 339.399 1.465 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)CC2 ZINC000114873157 201071791 /nfs/dbraw/zinc/07/17/91/201071791.db2.gz WXOJKFOBWJLXDB-AWEZNQCLSA-N 0 0 341.415 1.287 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc3c(c1)CCC3)CC2 ZINC000114874994 201072190 /nfs/dbraw/zinc/07/21/90/201072190.db2.gz ZSGDYXLHNBMFBF-AWEZNQCLSA-N 0 0 346.456 1.623 10 0 EDAERN Cc1cccnc1[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(C)C ZINC000115839747 201074065 /nfs/dbraw/zinc/07/40/65/201074065.db2.gz UMXYSJSCHOXVFA-UKRRQHHQSA-N 0 0 328.420 1.993 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000119592611 201079846 /nfs/dbraw/zinc/07/98/46/201079846.db2.gz DTHLKULVGGLJEQ-ZDUSSCGKSA-N 0 0 341.415 1.780 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(-c2ccc(F)cc2)on1 ZINC000137248113 201136617 /nfs/dbraw/zinc/13/66/17/201136617.db2.gz YSTMROPJEJYGCS-GFCCVEGCSA-N 0 0 327.319 1.817 10 0 EDAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000060730780 201144297 /nfs/dbraw/zinc/14/42/97/201144297.db2.gz MIFLLJRSQVZLIF-CQSZACIVSA-N 0 0 349.350 1.456 10 0 EDAERN Cn1cc([C@H]2CCCN2Cc2cnc(N3CCN(C)CC3)nc2)cn1 ZINC000131912068 223282890 /nfs/dbraw/zinc/28/28/90/223282890.db2.gz FFNIJFGDSIZJAJ-QGZVFWFLSA-N 0 0 341.463 1.299 10 0 EDAERN O=c1c(Br)c(OCCc2ccccc2)cnn1CCO ZINC000090741234 201373130 /nfs/dbraw/zinc/37/31/30/201373130.db2.gz ZMQAZHHGFRNFNE-UHFFFAOYSA-N 0 0 339.189 1.620 10 0 EDAERN C[C@@H](CS(=O)(=O)N1CCO[C@H](C(N)=S)C1)c1ccccc1 ZINC000149417963 201390336 /nfs/dbraw/zinc/39/03/36/201390336.db2.gz WNHKOCAILTWXTE-AAEUAGOBSA-N 0 0 328.459 1.107 10 0 EDAERN Cn1c2ccc(S(=O)(=O)N3CCC[C@H]3c3ccc[nH]3)cc2oc1=O ZINC000047926001 202587965 /nfs/dbraw/zinc/58/79/65/202587965.db2.gz ZOPRMPGBDYCZSZ-ZDUSSCGKSA-N 0 0 347.396 1.985 10 0 EDAERN COc1ccc(N2CCN(CC(=O)Nc3nnc(C)s3)C2=O)cc1 ZINC000049384402 202621771 /nfs/dbraw/zinc/62/17/71/202621771.db2.gz BMSHSFBAEWRPJO-UHFFFAOYSA-N 0 0 347.400 1.736 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](C)C1 ZINC000050669642 202633335 /nfs/dbraw/zinc/63/33/35/202633335.db2.gz WPMKOFLIYZUEAW-MRVPVSSYSA-N 0 0 334.239 1.916 10 0 EDAERN CCNc1ncc(Br)cc1S(=O)(=O)NCC1CC1 ZINC000050639187 202633933 /nfs/dbraw/zinc/63/39/33/202633933.db2.gz HGCXNLFYJLMMJZ-UHFFFAOYSA-N 0 0 334.239 1.964 10 0 EDAERN C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(CC(N)=S)cc2)C1 ZINC000163178894 201415878 /nfs/dbraw/zinc/41/58/78/201415878.db2.gz NQJIDUBYHVJDPH-CQSZACIVSA-N 0 0 328.459 1.051 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000188856271 138853901 /nfs/dbraw/zinc/85/39/01/138853901.db2.gz XENZKIPBWUSKFG-LLVKDONJSA-N 0 0 336.823 1.686 10 0 EDAERN O=c1cc(-n2cc(I)cn2)nc(C2CC2)[nH]1 ZINC000164592621 201419580 /nfs/dbraw/zinc/41/95/80/201419580.db2.gz NTEYTENVRPEUSG-UHFFFAOYSA-N 0 0 328.113 1.438 10 0 EDAERN Cn1cc(CCNS(=O)(=O)c2ccc(Cl)c(N)c2Cl)cn1 ZINC000165987538 201421987 /nfs/dbraw/zinc/42/19/87/201421987.db2.gz SBFOAJSGXFGDSH-UHFFFAOYSA-N 0 0 349.243 1.830 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000189140180 138862458 /nfs/dbraw/zinc/86/24/58/138862458.db2.gz CMZVCUJTPUGESN-ZKYQVNSYSA-N 0 0 340.807 1.205 10 0 EDAERN NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2Cl)s1 ZINC000211822179 241086049 /nfs/dbraw/zinc/08/60/49/241086049.db2.gz LINTXEMVGVGDHD-UHFFFAOYSA-N 0 0 337.831 1.882 10 0 EDAERN CC[NH+](CC)CCCNS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021519552 212227553 /nfs/dbraw/zinc/22/75/53/212227553.db2.gz NEYVXHLCTBYONO-UHFFFAOYSA-N 0 0 334.463 1.385 10 0 EDAERN CCn1cc([C@H]2CN(Cc3nnnn3-c3ccccc3)CCO2)cn1 ZINC000190786491 138897120 /nfs/dbraw/zinc/89/71/20/138897120.db2.gz HDRISCKCRRFJPL-MRXNPFEDSA-N 0 0 339.403 1.452 10 0 EDAERN CCCn1ncc(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1=O ZINC000065311391 202835349 /nfs/dbraw/zinc/83/53/49/202835349.db2.gz HZWOAQBPDZGCNC-INIZCTEOSA-N 0 0 348.447 1.165 10 0 EDAERN O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000069517639 203012663 /nfs/dbraw/zinc/01/26/63/203012663.db2.gz HUZHIBVZKMBQBP-ZETCQYMHSA-N 0 0 343.265 1.660 10 0 EDAERN Cc1cc(C(=O)N2CCN(CC(=O)c3cc(C)[nH]c3C)CC2)on1 ZINC000069894401 203061450 /nfs/dbraw/zinc/06/14/50/203061450.db2.gz HWVDGOCHORIVLJ-UHFFFAOYSA-N 0 0 330.388 1.569 10 0 EDAERN CC(C)(C)OC(=O)N1CCN(C(=O)CSc2ncc[nH]2)CC1 ZINC000253568668 244026366 /nfs/dbraw/zinc/02/63/66/244026366.db2.gz LNBMJBYKYLLFBY-UHFFFAOYSA-N 0 0 326.422 1.581 10 0 EDAERN C[C@H]1CCCCN1C(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000070815476 203081955 /nfs/dbraw/zinc/08/19/55/203081955.db2.gz WYBNMXSKFWHUHO-LBPRGKRZSA-N 0 0 330.384 1.888 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccon3)n2)n1 ZINC000070875993 203082477 /nfs/dbraw/zinc/08/24/77/203082477.db2.gz RKXMHFSATJDKNE-NSHDSACASA-N 0 0 328.332 1.234 10 0 EDAERN O=C(Cn1cc(Cl)ccc1=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000071515981 203099078 /nfs/dbraw/zinc/09/90/78/203099078.db2.gz YYUMGPDKNDWCET-SECBINFHSA-N 0 0 340.792 1.843 10 0 EDAERN CC(=O)NCCNC(=O)C=C(C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000071542371 203099746 /nfs/dbraw/zinc/09/97/46/203099746.db2.gz HVKHONAVVHFLAK-KHPPLWFESA-N 0 0 331.372 1.026 10 0 EDAERN COC(=O)CCN(CCNC(C)=O)C(=O)Cc1ccc(Cl)cc1 ZINC000071620494 203100846 /nfs/dbraw/zinc/10/08/46/203100846.db2.gz ROYOSKBIOVJXAU-UHFFFAOYSA-N 0 0 340.807 1.410 10 0 EDAERN COC(=O)[C@@H](C)CN(C(=O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000071622830 203101050 /nfs/dbraw/zinc/10/10/50/203101050.db2.gz ZMDBUYBLTYCVGA-LBPRGKRZSA-N 0 0 346.383 1.329 10 0 EDAERN COC(=O)[C@@H](C)CN(CCNC(C)=O)C(=O)c1cccc(OC)c1 ZINC000071610524 203101554 /nfs/dbraw/zinc/10/15/54/203101554.db2.gz YVNGSONXEULHGO-LBPRGKRZSA-N 0 0 336.388 1.083 10 0 EDAERN C[NH+](C)CCNS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000071709491 203104047 /nfs/dbraw/zinc/10/40/47/203104047.db2.gz KJGRCHVKOKXWKC-UHFFFAOYSA-N 0 0 348.424 1.892 10 0 EDAERN Cn1ncc2c1nc(C1CCCC1)nc2NC[C@H]1CCS(=O)(=O)C1 ZINC000072426271 203222046 /nfs/dbraw/zinc/22/20/46/203222046.db2.gz VBSMEVBTNFYBAB-LLVKDONJSA-N 0 0 349.460 1.868 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1nccs1 ZINC000074547615 203291125 /nfs/dbraw/zinc/29/11/25/203291125.db2.gz PBKONUPRJIIGIE-LLVKDONJSA-N 0 0 331.463 1.306 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000192470414 138944892 /nfs/dbraw/zinc/94/48/92/138944892.db2.gz MTKVFLBQCOFSPO-DDHOLCJHSA-N 0 0 326.343 1.466 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000075510062 203315897 /nfs/dbraw/zinc/31/58/97/203315897.db2.gz CUCBRCUBNCXVPH-OIBJUYFYSA-N 0 0 332.219 1.991 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000075979262 203329603 /nfs/dbraw/zinc/32/96/03/203329603.db2.gz YQGTURSUYXNZFX-SWLSCSKDSA-N 0 0 337.445 1.679 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000076097942 203338280 /nfs/dbraw/zinc/33/82/80/203338280.db2.gz PVWJJADSQINFEL-CJNGLKHVSA-N 0 0 331.416 1.024 10 0 EDAERN Cc1ccccc1[C@H](CC(=O)NC[C@@H]1CCCC[C@@H]1O)NC(N)=O ZINC000077151299 203373093 /nfs/dbraw/zinc/37/30/93/203373093.db2.gz KWYLPGHTMICPTD-BPUTZDHNSA-N 0 0 333.432 1.762 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083754893 203519719 /nfs/dbraw/zinc/51/97/19/203519719.db2.gz BUIFCWKMSLVZJZ-AWEZNQCLSA-N 0 0 327.388 1.739 10 0 EDAERN COc1nc2c(cc1C(=O)NCCCc1nnc(N)s1)CCC2 ZINC000091526820 203638141 /nfs/dbraw/zinc/63/81/41/203638141.db2.gz SUJVKPSXYHGORI-UHFFFAOYSA-N 0 0 333.417 1.375 10 0 EDAERN Cc1nc2ccsc2c(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)n1 ZINC000091915333 203657936 /nfs/dbraw/zinc/65/79/36/203657936.db2.gz JFJHJMDBGLBXIB-UHFFFAOYSA-N 0 0 345.428 1.863 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092421779 203672646 /nfs/dbraw/zinc/67/26/46/203672646.db2.gz XPNAOMVCQPUCHB-RHSMWYFYSA-N 0 0 347.459 1.248 10 0 EDAERN CCOC[C@H]1CN(S(=O)(=O)C2CC2)Cc2ncn(CC3CC3)c21 ZINC000096060341 203814297 /nfs/dbraw/zinc/81/42/97/203814297.db2.gz MSEJEMKEJMBPRO-CYBMUJFWSA-N 0 0 339.461 1.721 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCc2c3ccccc3[nH]c2C1 ZINC000134087879 284240596 /nfs/dbraw/zinc/24/05/96/284240596.db2.gz QAAKNADVWZDIIA-LBPRGKRZSA-N 0 0 336.399 1.842 10 0 EDAERN O=S(=O)(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cn[nH]c1 ZINC000040830403 203926174 /nfs/dbraw/zinc/92/61/74/203926174.db2.gz XWNJNKXSOPZISE-DTWKUNHWSA-N 0 0 327.328 1.578 10 0 EDAERN Cc1nnc(COC(=O)c2ccc(Br)c(N)c2)n1C ZINC000041093535 204001276 /nfs/dbraw/zinc/00/12/76/204001276.db2.gz LUHHKHOIBKEXNA-UHFFFAOYSA-N 0 0 325.166 1.825 10 0 EDAERN C[C@H](Nc1c(N)n(C)c(=O)[nH]c1=O)c1ccc(Br)cc1 ZINC000042297283 204086548 /nfs/dbraw/zinc/08/65/48/204086548.db2.gz JEWSMFDBCLASMF-ZETCQYMHSA-N 0 0 339.193 1.591 10 0 EDAERN Nc1cc(-c2nnnn2[C@H]2CCS(=O)(=O)C2)cc(Cl)c1Cl ZINC000042015360 204059383 /nfs/dbraw/zinc/05/93/83/204059383.db2.gz PUJNSMXHOURQBI-ZETCQYMHSA-N 0 0 348.215 1.589 10 0 EDAERN O=C1NC[C@H](CN2C(=O)C(=O)c3cc(F)cc(Br)c32)O1 ZINC000042079160 204061157 /nfs/dbraw/zinc/06/11/57/204061157.db2.gz DPFHCDMXESNUGF-ZCFIWIBFSA-N 0 0 343.108 1.226 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1F ZINC000151841374 204112614 /nfs/dbraw/zinc/11/26/14/204112614.db2.gz QTFRXOBOKVRNDB-CQSZACIVSA-N 0 0 334.351 1.612 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2ccc(OC3CCCC3)nc2)C1 ZINC000104784371 204119689 /nfs/dbraw/zinc/11/96/89/204119689.db2.gz ZPRFKZPGCLQYRT-MRXNPFEDSA-N 0 0 348.447 1.533 10 0 EDAERN CCN(CCNC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1C ZINC000104789488 204120911 /nfs/dbraw/zinc/12/09/11/204120911.db2.gz AZVLZAOADNETQQ-INIZCTEOSA-N 0 0 334.464 1.451 10 0 EDAERN C[C@H](C(N)=S)N1CCN(c2ncccc2Br)CC1 ZINC000104059971 204095271 /nfs/dbraw/zinc/09/52/71/204095271.db2.gz PPVHQBXRIGNNPL-SECBINFHSA-N 0 0 329.267 1.641 10 0 EDAERN CCCCOCCNC(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105807277 204162715 /nfs/dbraw/zinc/16/27/15/204162715.db2.gz WGEKLGDVQLMTKX-UHFFFAOYSA-N 0 0 349.479 1.310 10 0 EDAERN CCCCNC(=O)[C@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820493 204164879 /nfs/dbraw/zinc/16/48/79/204164879.db2.gz NJKOSRTWLXGTRL-FUHWJXTLSA-N 0 0 333.476 1.642 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000105819791 204165210 /nfs/dbraw/zinc/16/52/10/204165210.db2.gz VAJPYOYGQWDUIA-UHFFFAOYSA-N 0 0 330.363 1.977 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000105281244 204139547 /nfs/dbraw/zinc/13/95/47/204139547.db2.gz NVTKLPGMAHHZCI-AWEZNQCLSA-N 0 0 336.411 1.878 10 0 EDAERN CCN([C@H](C)COC)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000042780830 204144702 /nfs/dbraw/zinc/14/47/02/204144702.db2.gz UQTICGFYTZLLGJ-LLVKDONJSA-N 0 0 330.475 1.507 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3cccc(F)c3)CCO2)c1 ZINC000105891442 204175892 /nfs/dbraw/zinc/17/58/92/204175892.db2.gz HZWABXONLWYAMN-MRXNPFEDSA-N 0 0 332.379 1.670 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000106396068 204192486 /nfs/dbraw/zinc/19/24/86/204192486.db2.gz JPTUIHALQLRSBN-LBPRGKRZSA-N 0 0 336.823 1.516 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)CC1 ZINC000106396882 204193280 /nfs/dbraw/zinc/19/32/80/204193280.db2.gz CPOSFRIEZSYHIC-RDJZCZTQSA-N 0 0 348.443 1.572 10 0 EDAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c(N)cccc1Cl ZINC000045166467 204315594 /nfs/dbraw/zinc/31/55/94/204315594.db2.gz BUBMJUUCGPQHOI-IUCAKERBSA-N 0 0 331.825 1.197 10 0 EDAERN NC(=S)c1ccc(NCCCS(N)(=O)=O)cc1C(F)(F)F ZINC000045089235 204316142 /nfs/dbraw/zinc/31/61/42/204316142.db2.gz DYJQUQMVMYMCDB-UHFFFAOYSA-N 0 0 341.380 1.430 10 0 EDAERN COc1cc(OC)cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111084220 204335172 /nfs/dbraw/zinc/33/51/72/204335172.db2.gz MJKXZRJOHFYHIG-MRXNPFEDSA-N 0 0 331.372 1.442 10 0 EDAERN CC1(C)COCCN1S(=O)(=O)Cc1ccccc1C(N)=S ZINC000048946202 204360380 /nfs/dbraw/zinc/36/03/80/204360380.db2.gz NNBZVYGHVAOZEK-UHFFFAOYSA-N 0 0 328.459 1.261 10 0 EDAERN CCCCN(CCO)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000049014518 204361622 /nfs/dbraw/zinc/36/16/22/204361622.db2.gz IFEHKVCBRFKLOE-UHFFFAOYSA-N 0 0 330.475 1.245 10 0 EDAERN CC(C)N(C)S(=O)(=O)N(CCC(N)=S)Cc1cccnc1 ZINC000049042539 204363765 /nfs/dbraw/zinc/36/37/65/204363765.db2.gz JNYVCPVKYWPNEG-UHFFFAOYSA-N 0 0 330.479 1.145 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2cccnc2)C1 ZINC000111213517 204340450 /nfs/dbraw/zinc/34/04/50/204340450.db2.gz PMDYISAUYKWNMC-OAHLLOKOSA-N 0 0 328.420 1.189 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC[C@H]2c2cnn(C)c2)no1 ZINC000111219416 204340533 /nfs/dbraw/zinc/34/05/33/204340533.db2.gz PKLXDDIMLXYYAH-ZDUSSCGKSA-N 0 0 333.392 1.636 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCc4ncnn4C3)cn2)n1 ZINC000112655066 204408381 /nfs/dbraw/zinc/40/83/81/204408381.db2.gz DRNDFBCPRTWIME-AWEZNQCLSA-N 0 0 337.387 1.220 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)c1 ZINC000112094076 204382588 /nfs/dbraw/zinc/38/25/88/204382588.db2.gz UFGUOUCYTALVKX-AWEZNQCLSA-N 0 0 339.392 1.420 10 0 EDAERN C[C@H](CN1CCOCC1)NC(=O)c1ccc(Br)c(N)c1 ZINC000049503605 204392477 /nfs/dbraw/zinc/39/24/77/204392477.db2.gz GLJAPLJERGETNR-SNVBAGLBSA-N 0 0 342.237 1.482 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000195220957 139010450 /nfs/dbraw/zinc/01/04/50/139010450.db2.gz CPPFEVAPAQMZKR-LSDHHAIUSA-N 0 0 338.429 1.259 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)CC2 ZINC000114872642 204490435 /nfs/dbraw/zinc/49/04/35/204490435.db2.gz OTLLLJAEFQCBKV-AWEZNQCLSA-N 0 0 341.415 1.852 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)cn1 ZINC000116113201 204520606 /nfs/dbraw/zinc/52/06/06/204520606.db2.gz PYJVFRQKDVRGBZ-CYBMUJFWSA-N 0 0 326.400 1.617 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000116520855 204534873 /nfs/dbraw/zinc/53/48/73/204534873.db2.gz LLLNVVYXDCOXQF-OAHLLOKOSA-N 0 0 330.436 1.823 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000195506323 139018582 /nfs/dbraw/zinc/01/85/82/139018582.db2.gz CWOTYZADFYMABK-LBPRGKRZSA-N 0 0 341.415 1.715 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(C)c1 ZINC000116587112 204536362 /nfs/dbraw/zinc/53/63/62/204536362.db2.gz AVMGMYREGFFOKV-AWEZNQCLSA-N 0 0 326.400 1.992 10 0 EDAERN Cn1c(CN2CCO[C@H](c3nccs3)C2)nc2ccccc2c1=O ZINC000195521596 139020006 /nfs/dbraw/zinc/02/00/06/139020006.db2.gz HGJMDFMZOLOXLD-AWEZNQCLSA-N 0 0 342.424 1.964 10 0 EDAERN [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC000050251278 204568100 /nfs/dbraw/zinc/56/81/00/204568100.db2.gz FZTUZUCIOWJHDE-QMMMGPOBSA-N 0 0 342.193 1.960 10 0 EDAERN CC1(C)[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)[C@@H]2CCO[C@@H]21 ZINC000120839539 204764094 /nfs/dbraw/zinc/76/40/94/204764094.db2.gz IJSMTUUIUHNPLC-IMJJTQAJSA-N 0 0 345.447 1.876 10 0 EDAERN CCCNc1ncc(Br)cc1C(=O)N[C@H](C)C(=O)NC ZINC000050787640 204860910 /nfs/dbraw/zinc/86/09/10/204860910.db2.gz FUBJBLXNISXZIP-MRVPVSSYSA-N 0 0 343.225 1.530 10 0 EDAERN CCCNc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(Cl)n1 ZINC000050712146 204852609 /nfs/dbraw/zinc/85/26/09/204852609.db2.gz CSHAOFKHJHZIOS-SNVBAGLBSA-N 0 0 331.825 1.474 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2ccccc2O)CC1 ZINC000125275302 205002407 /nfs/dbraw/zinc/00/24/07/205002407.db2.gz BSTDFMAQVTZLHR-CQSZACIVSA-N 0 0 336.432 1.326 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC(C)(C)C(=O)NCC(C)(C)C ZINC000125289664 205002455 /nfs/dbraw/zinc/00/24/55/205002455.db2.gz OXXFATPHMWBDNX-LLVKDONJSA-N 0 0 337.420 1.455 10 0 EDAERN C[C@@](O)(CNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1Cl ZINC000125647354 205019997 /nfs/dbraw/zinc/01/99/97/205019997.db2.gz WYMIRTOOASIXKZ-CZUORRHYSA-N 0 0 349.822 1.973 10 0 EDAERN CN(C(=O)c1cnn2c1CCCC2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000127003717 205080904 /nfs/dbraw/zinc/08/09/04/205080904.db2.gz DHRJYLUFXNHALA-CQSZACIVSA-N 0 0 340.431 1.750 10 0 EDAERN O=C(CCn1cnc2ccccc21)N1CCC[C@H](Cn2cncn2)C1 ZINC000127005377 205081286 /nfs/dbraw/zinc/08/12/86/205081286.db2.gz YNQJDOUWNJGHDR-HNNXBMFYSA-N 0 0 338.415 1.957 10 0 EDAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127164781 205087616 /nfs/dbraw/zinc/08/76/16/205087616.db2.gz KTSNCBWELKUFQD-BBRMVZONSA-N 0 0 340.383 1.298 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000129724715 205208907 /nfs/dbraw/zinc/20/89/07/205208907.db2.gz RZWQVJAYDRITEI-GJZGRUSLSA-N 0 0 344.436 1.946 10 0 EDAERN COc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000130661766 205250027 /nfs/dbraw/zinc/25/00/27/205250027.db2.gz FRPCTBFJBLWJDD-MFKMUULPSA-N 0 0 340.807 1.954 10 0 EDAERN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130730571 205254704 /nfs/dbraw/zinc/25/47/04/205254704.db2.gz RNSODLUNQMUSMU-YPMHNXCESA-N 0 0 338.379 1.830 10 0 EDAERN CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2c2ccc(C)o2)CC1 ZINC000130937568 205265411 /nfs/dbraw/zinc/26/54/11/205265411.db2.gz QPZNAUZFENRYCN-MRXNPFEDSA-N 0 0 333.432 1.806 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC000131438989 205287332 /nfs/dbraw/zinc/28/73/32/205287332.db2.gz XNEYEHBAOUHINA-LLVKDONJSA-N 0 0 340.445 1.965 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000132908656 205348742 /nfs/dbraw/zinc/34/87/42/205348742.db2.gz CLVBPWHQURBZKP-BMIGLBTASA-N 0 0 328.334 1.897 10 0 EDAERN Cc1cnn(CCNC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)c1 ZINC000133837432 205380166 /nfs/dbraw/zinc/38/01/66/205380166.db2.gz AVSRTIPAFSWAIE-INIZCTEOSA-N 0 0 349.479 1.775 10 0 EDAERN COc1ccc(C[C@@H](C)C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000134271284 205398749 /nfs/dbraw/zinc/39/87/49/205398749.db2.gz JWSJUHVZDLRGQV-QAPCUYQASA-N 0 0 343.427 1.998 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(Cc3nccc(N)n3)CC2)cn1 ZINC000135052574 205440159 /nfs/dbraw/zinc/44/01/59/205440159.db2.gz RMWWBRBPPONPFM-UHFFFAOYSA-N 0 0 329.452 1.328 10 0 EDAERN NS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000151221345 205623517 /nfs/dbraw/zinc/62/35/17/205623517.db2.gz FXJHHTXUEPFFCW-BBRMVZONSA-N 0 0 338.429 1.101 10 0 EDAERN O=S(=O)(CCOc1ccccc1)N1CC[C@H](Oc2ccccn2)C1 ZINC000238811756 139070077 /nfs/dbraw/zinc/07/00/77/139070077.db2.gz AMCAJTXPWPLFQF-INIZCTEOSA-N 0 0 348.424 1.944 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(F)c1 ZINC000155472578 206009966 /nfs/dbraw/zinc/00/99/66/206009966.db2.gz PTCUGKDRWCNYSK-ZDUSSCGKSA-N 0 0 333.367 1.898 10 0 EDAERN CCc1nc(CC(=O)N[C@@H]2CCCn3nc(COC)nc32)cs1 ZINC000155317026 206000865 /nfs/dbraw/zinc/00/08/65/206000865.db2.gz MOAXYPBYAMIEQU-LLVKDONJSA-N 0 0 335.433 1.637 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cccnc2OCC(F)F)C[C@H]1C ZINC000245806071 139086545 /nfs/dbraw/zinc/08/65/45/139086545.db2.gz BOLRGFHSAZEMOH-NEPJUHHUSA-N 0 0 343.374 1.253 10 0 EDAERN C[C@@H](CNC(=O)N(C)CCOCc1ccccc1)N1CCOCC1 ZINC000157222334 206123850 /nfs/dbraw/zinc/12/38/50/206123850.db2.gz XTRSXPOVOAAZHV-INIZCTEOSA-N 0 0 335.448 1.565 10 0 EDAERN CC(C)NC(=O)COc1ccc(Br)cc1C(N)=S ZINC000157500171 206139930 /nfs/dbraw/zinc/13/99/30/206139930.db2.gz BIIZICSBSBYVGH-UHFFFAOYSA-N 0 0 331.235 1.987 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cccc2F)C1 ZINC000157724338 206153262 /nfs/dbraw/zinc/15/32/62/206153262.db2.gz XOMBSBKTRXVSSP-CYBMUJFWSA-N 0 0 349.406 1.980 10 0 EDAERN COCCn1ncc(Br)c1[C@H](O)[C@H]1CSCCO1 ZINC000157767400 206154722 /nfs/dbraw/zinc/15/47/22/206154722.db2.gz YTEMVWOQCFTIQQ-MWLCHTKSSA-N 0 0 337.239 1.457 10 0 EDAERN CCOC(=O)c1nnnn1Cc1cccc(F)c1Br ZINC000157915626 206162308 /nfs/dbraw/zinc/16/23/08/206162308.db2.gz HARAXAQOISELQD-UHFFFAOYSA-N 0 0 329.129 1.800 10 0 EDAERN COc1ccc(Cn2ncc(I)cc2=O)cc1 ZINC000158544573 206198140 /nfs/dbraw/zinc/19/81/40/206198140.db2.gz DRZMZZCDQYCBGM-UHFFFAOYSA-N 0 0 342.136 1.905 10 0 EDAERN CC(C)c1nc(Cn2ncc(I)cc2=O)no1 ZINC000158588022 206200305 /nfs/dbraw/zinc/20/03/05/206200305.db2.gz VYXNLVLWDMBJGY-UHFFFAOYSA-N 0 0 346.128 1.403 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000246058165 139093544 /nfs/dbraw/zinc/09/35/44/139093544.db2.gz VSLDFJMDWRQRCK-AVGNSLFASA-N 0 0 337.370 1.988 10 0 EDAERN CCn1cnnc1[C@H]1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000246088482 139094415 /nfs/dbraw/zinc/09/44/15/139094415.db2.gz FQDYMIFLTNGIKK-NEPJUHHUSA-N 0 0 345.455 1.072 10 0 EDAERN C[C@@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@H]1N1CCOCC1 ZINC000246620480 139115340 /nfs/dbraw/zinc/11/53/40/139115340.db2.gz YVCBCCHFJMVUOT-GDBMZVCRSA-N 0 0 328.416 1.889 10 0 EDAERN Cc1cnn(C[C@H]2CN(C[C@@H](O)c3c(F)cccc3F)CCO2)c1 ZINC000247005778 139130948 /nfs/dbraw/zinc/13/09/48/139130948.db2.gz BSHAMROCJKYTIB-CZUORRHYSA-N 0 0 337.370 1.904 10 0 EDAERN Cc1n[nH]cc1C(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000247051444 139133370 /nfs/dbraw/zinc/13/33/70/139133370.db2.gz TYYRNTATYLJBES-SMDDNHRTSA-N 0 0 334.445 1.971 10 0 EDAERN CCOCCNS(=O)(=O)c1cc(Br)cc(N)c1C ZINC000161722134 206366618 /nfs/dbraw/zinc/36/66/18/206366618.db2.gz GTCWRZYJUYFUQF-UHFFFAOYSA-N 0 0 337.239 1.655 10 0 EDAERN CC(C)[C@H](O)CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000161778262 206369355 /nfs/dbraw/zinc/36/93/55/206369355.db2.gz SCZJJBMJFHGSHD-QGZVFWFLSA-N 0 0 347.459 1.349 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1csc(Br)c1 ZINC000163625074 206463724 /nfs/dbraw/zinc/46/37/24/206463724.db2.gz UMSGWZHCPIUHFC-JGVFFNPUSA-N 0 0 334.191 1.259 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCSC[C@H]2c2ccccc2)C1 ZINC000247339454 139145410 /nfs/dbraw/zinc/14/54/10/139145410.db2.gz ZCXFTKLDOYDCJX-CVEARBPZSA-N 0 0 335.473 1.817 10 0 EDAERN O=C(c1cccc(I)c1)N1CCOC[C@H]1CO ZINC000168173693 206542762 /nfs/dbraw/zinc/54/27/62/206542762.db2.gz QIOSBDWGYBMATI-LLVKDONJSA-N 0 0 347.152 1.125 10 0 EDAERN CC[C@@H](C)NC(=O)Cn1c(=O)c2cc(C)[nH]c2nc1C(F)(F)F ZINC000169814976 206565631 /nfs/dbraw/zinc/56/56/31/206565631.db2.gz ONTOECXWQQIPDD-SSDOTTSWSA-N 0 0 330.310 1.967 10 0 EDAERN Cc1cc(NC(=O)c2sc3[nH]c(CN(C)C)nc(=O)c3c2C)n[nH]1 ZINC000169866250 206566455 /nfs/dbraw/zinc/56/64/55/206566455.db2.gz ZBHBPHHIHOULMH-UHFFFAOYSA-N 0 0 346.416 1.638 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)c2c1NCCC2 ZINC000168994794 206547510 /nfs/dbraw/zinc/54/75/10/206547510.db2.gz HVOFGEBQKIWCFP-YBTHPKLGSA-N 0 0 330.475 1.398 10 0 EDAERN O=C(c1ccc(=O)[nH]n1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000170493870 206576680 /nfs/dbraw/zinc/57/66/80/206576680.db2.gz JDFGXAVFIFLFMQ-UHFFFAOYSA-N 0 0 339.351 1.410 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCN(c3nnc(C)s3)CC2)ccn1 ZINC000170487967 206577001 /nfs/dbraw/zinc/57/70/01/206577001.db2.gz GXQJBHQVISQFSD-UHFFFAOYSA-N 0 0 346.416 1.162 10 0 EDAERN CO[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)C1 ZINC000170517253 206578392 /nfs/dbraw/zinc/57/83/92/206578392.db2.gz DUIYJQQKPISVOX-CYBMUJFWSA-N 0 0 330.384 1.800 10 0 EDAERN CCCOC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCOC)C2)c1 ZINC000170581295 206579039 /nfs/dbraw/zinc/57/90/39/206579039.db2.gz PJKFUSRBCQENKH-AWEZNQCLSA-N 0 0 348.399 1.687 10 0 EDAERN C[C@@H]1CN(CCN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CCO1 ZINC000249054892 139184237 /nfs/dbraw/zinc/18/42/37/139184237.db2.gz OTPNERZHDRGFRD-IFIJOSMWSA-N 0 0 326.387 1.793 10 0 EDAERN CN(c1cccnn1)C1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000093272730 218210157 /nfs/dbraw/zinc/21/01/57/218210157.db2.gz JHAJTOWMAYKTTD-UHFFFAOYSA-N 0 0 331.445 1.738 10 0 EDAERN O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCN1c1ccc(F)c(Cl)c1 ZINC000249273674 139190235 /nfs/dbraw/zinc/19/02/35/139190235.db2.gz BZMFIHGKCOFMKR-UHIISALHSA-N 0 0 328.771 1.012 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000094716566 218269926 /nfs/dbraw/zinc/26/99/26/218269926.db2.gz YACLUOVFDXZWIH-SECBINFHSA-N 0 0 349.175 1.788 10 0 EDAERN CN(C[C@H]1CCCO1)c1cc(N(C)C[C@@H]2CCCO2)nc2ncnn21 ZINC000251785964 139202751 /nfs/dbraw/zinc/20/27/51/139202751.db2.gz LQJZQOPOIDYPCR-UONOGXRCSA-N 0 0 346.435 1.355 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc4[nH]ccc4c3)C2)cn1 ZINC000173383059 206922400 /nfs/dbraw/zinc/92/24/00/206922400.db2.gz CQUOOZYCQDMKKN-CYBMUJFWSA-N 0 0 337.383 1.856 10 0 EDAERN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000112248428 220273036 /nfs/dbraw/zinc/27/30/36/220273036.db2.gz FPZUCRTYOFZEHC-NSHDSACASA-N 0 0 337.807 1.653 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)NCCN2C(=O)CNC2=O)o1 ZINC000173495280 206932125 /nfs/dbraw/zinc/93/21/25/206932125.db2.gz LFDMZYOVHUUHAP-CYBMUJFWSA-N 0 0 348.403 1.630 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000174316837 207010570 /nfs/dbraw/zinc/01/05/70/207010570.db2.gz RFEDLMATCMWESR-LSDHHAIUSA-N 0 0 340.427 1.671 10 0 EDAERN O=C([C@H](O)c1ccccc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174651470 207042698 /nfs/dbraw/zinc/04/26/98/207042698.db2.gz FQZBBBFPIMJTKD-RTBURBONSA-N 0 0 340.423 1.598 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3cccs3)C2=O)n(C)n1 ZINC000174979916 207078820 /nfs/dbraw/zinc/07/88/20/207078820.db2.gz WZIQUXYYFMRLRZ-CYBMUJFWSA-N 0 0 332.429 1.644 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c(F)cc1F ZINC000175805923 207161809 /nfs/dbraw/zinc/16/18/09/207161809.db2.gz FJOUVWGHAYIWOL-LLVKDONJSA-N 0 0 342.371 1.891 10 0 EDAERN CCCOc1cccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176099627 207190799 /nfs/dbraw/zinc/19/07/99/207190799.db2.gz BHORZUOYMVBZRT-AWEZNQCLSA-N 0 0 343.387 1.657 10 0 EDAERN COc1ccc(CN(C)C(=O)N[C@@H]2CCCn3ncnc32)c(OC)c1 ZINC000177309897 207318856 /nfs/dbraw/zinc/31/88/56/207318856.db2.gz IWSPAAXBGIMFKZ-CQSZACIVSA-N 0 0 345.403 1.972 10 0 EDAERN CN(CCOc1ccc(F)cc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177327682 207321304 /nfs/dbraw/zinc/32/13/04/207321304.db2.gz MASKAFHXRSHDAQ-CQSZACIVSA-N 0 0 333.367 1.973 10 0 EDAERN COc1ccc(O[C@H](C)CNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177329455 207321691 /nfs/dbraw/zinc/32/16/91/207321691.db2.gz YNTDCHLGNLKTBF-DOMZBBRYSA-N 0 0 345.403 1.888 10 0 EDAERN Cc1cccc(N2CCN(C(=O)N[C@H]3CCCn4ncnc43)CC2)c1 ZINC000177338738 207323303 /nfs/dbraw/zinc/32/33/03/207323303.db2.gz YLBPPRVDMRGFQL-INIZCTEOSA-N 0 0 340.431 1.953 10 0 EDAERN O=C(NCCCN1CCc2ccccc21)N[C@@H]1CCCn2ncnc21 ZINC000177345656 207323505 /nfs/dbraw/zinc/32/35/05/207323505.db2.gz QMEMIMMHNOAHGW-OAHLLOKOSA-N 0 0 340.431 1.865 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@@H]1N1CCOCC1 ZINC000177237267 207312508 /nfs/dbraw/zinc/31/25/08/207312508.db2.gz POUDQCCVIUNEKI-MFKMUULPSA-N 0 0 328.334 1.897 10 0 EDAERN O=C(CSC[C@H](O)CO)N1CCN(c2cccc(Cl)c2)CC1 ZINC000177419203 207334949 /nfs/dbraw/zinc/33/49/49/207334949.db2.gz ZFZDJBSNZLVQBU-CQSZACIVSA-N 0 0 344.864 1.075 10 0 EDAERN CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000177528650 207348545 /nfs/dbraw/zinc/34/85/45/207348545.db2.gz GMTRAVKAZVFWFU-LBPRGKRZSA-N 0 0 335.408 1.499 10 0 EDAERN COCCCOc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177543900 207351151 /nfs/dbraw/zinc/35/11/51/207351151.db2.gz HBCAKNAMHWCRQX-OAHLLOKOSA-N 0 0 330.388 1.958 10 0 EDAERN O=C(Nc1cccc2cccnc21)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177546116 207352256 /nfs/dbraw/zinc/35/22/56/207352256.db2.gz KXJZEOYQJQSRRX-UONOGXRCSA-N 0 0 327.384 1.841 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@H]1CC ZINC000177618734 207365650 /nfs/dbraw/zinc/36/56/50/207365650.db2.gz AMLKQYCCVGWEAH-OAHLLOKOSA-N 0 0 348.447 1.288 10 0 EDAERN CCCCc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000177625219 207366147 /nfs/dbraw/zinc/36/61/47/207366147.db2.gz GHCZDDBKJHDDHC-OAHLLOKOSA-N 0 0 341.415 1.690 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3nc(C)cs3)C2)c1 ZINC000177670709 207373193 /nfs/dbraw/zinc/37/31/93/207373193.db2.gz BRFTXHWOHUATHP-GFCCVEGCSA-N 0 0 333.417 1.759 10 0 EDAERN O=S(=O)(Cc1csc(-c2ccccc2F)n1)C[C@H](O)CO ZINC000177672260 207374479 /nfs/dbraw/zinc/37/44/79/207374479.db2.gz IAFNGXDZHMLQHN-SNVBAGLBSA-N 0 0 331.390 1.217 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000177716686 207380930 /nfs/dbraw/zinc/38/09/30/207380930.db2.gz XBDDLBAUHIEOCQ-ZDUSSCGKSA-N 0 0 328.376 1.603 10 0 EDAERN COC(=O)C1CCC(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)CC1 ZINC000180207899 207744480 /nfs/dbraw/zinc/74/44/80/207744480.db2.gz WINHBIBGGZHWRJ-UYSNPLJNSA-N 0 0 349.431 1.398 10 0 EDAERN CN1CCc2ccc(NC(=O)C(=O)N[C@H]3COc4ccccc43)cc21 ZINC000180522735 207792881 /nfs/dbraw/zinc/79/28/81/207792881.db2.gz WREPWKISYCZFRC-HNNXBMFYSA-N 0 0 337.379 1.867 10 0 EDAERN Cc1cc(F)ccc1-n1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000180683304 207822456 /nfs/dbraw/zinc/82/24/56/207822456.db2.gz HCWITCQTLLPMKX-CYBMUJFWSA-N 0 0 340.362 1.656 10 0 EDAERN Cc1ccc(OCC(=O)NCCCNC(=O)c2cnccn2)cc1 ZINC000004985380 210350262 /nfs/dbraw/zinc/35/02/62/210350262.db2.gz UBKUBZHGCQNQSN-UHFFFAOYSA-N 0 0 328.372 1.100 10 0 EDAERN O=C1N[C@H](c2ccc(Cl)cc2Br)N2CCOC[C@@H]12 ZINC000093884941 296395139 /nfs/dbraw/zinc/39/51/39/296395139.db2.gz PBRGEUNMNXFNBL-QWRGUYRKSA-N 0 0 331.597 1.932 10 0 EDAERN O=C1N[C@]2(C(=O)Nc3ccc(-c4ccccc4)cc32)N2CCOC[C@@H]12 ZINC000093883623 296397628 /nfs/dbraw/zinc/39/76/28/296397628.db2.gz QCBYXGCRZSCUOG-LPHOPBHVSA-N 0 0 335.363 1.289 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](CO)c1ccccc1)CC2 ZINC000114975562 220797022 /nfs/dbraw/zinc/79/70/22/220797022.db2.gz JAQBCUWHDPZVKK-UONOGXRCSA-N 0 0 329.404 1.188 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(F)ccc2F)C[C@H]1C ZINC000117369689 221058548 /nfs/dbraw/zinc/05/85/48/221058548.db2.gz OGCDIUOUJPPULX-LLVKDONJSA-N 0 0 334.388 1.306 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000117279632 221041876 /nfs/dbraw/zinc/04/18/76/221041876.db2.gz FHCPDKZCEISWTR-LBPRGKRZSA-N 0 0 331.420 1.449 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000117276711 221042457 /nfs/dbraw/zinc/04/24/57/221042457.db2.gz UDYMAZAMKNMSKH-CQSZACIVSA-N 0 0 334.416 1.641 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(-c3cccnc3)on2)C[C@H]1C ZINC000117283377 221043183 /nfs/dbraw/zinc/04/31/83/221043183.db2.gz ZLVIRQGEZYJBNF-CQSZACIVSA-N 0 0 344.415 1.919 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCN1CCOC ZINC000117307557 221050748 /nfs/dbraw/zinc/05/07/48/221050748.db2.gz STAHPUWIEKWOEA-MRXNPFEDSA-N 0 0 343.431 1.450 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(N(C)C)nc1 ZINC000155248219 224384117 /nfs/dbraw/zinc/38/41/17/224384117.db2.gz KMJDBVMPTANVRL-GFCCVEGCSA-N 0 0 330.392 1.150 10 0 EDAERN C[C@@H]1CN(C(=O)c2cnccn2)C[C@]12CCN(c1cccnc1)C2=O ZINC000249696197 257660536 /nfs/dbraw/zinc/66/05/36/257660536.db2.gz SHHJVCSNJJBQRW-FZKQIMNGSA-N 0 0 337.383 1.387 10 0 EDAERN O=C(c1cscn1)N1CCO[C@H]2[C@H]1CC[C@@H]2Oc1cccnc1 ZINC000247874519 257675758 /nfs/dbraw/zinc/67/57/58/257675758.db2.gz SJIYUPUTKRGRTM-ILXRZTDVSA-N 0 0 331.397 1.989 10 0 EDAERN COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(Cc1nccs1)CC2 ZINC000247832888 257678258 /nfs/dbraw/zinc/67/82/58/257678258.db2.gz IEQJYEPSDPMBOU-GFCCVEGCSA-N 0 0 349.460 1.222 10 0 EDAERN CS(=O)(=O)CCCn1cnc(Cl)c(Br)c1=O ZINC000166310456 533355772 /nfs/dbraw/zinc/35/57/72/533355772.db2.gz JKQOXKNMGYMQAA-UHFFFAOYSA-N 0 0 329.603 1.094 10 0 EDAERN O=C(O[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000089781096 132821780 /nfs/dbraw/zinc/82/17/80/132821780.db2.gz GWRZKESVXYLEPI-AWEZNQCLSA-N 0 0 337.397 1.547 10 0 EDAERN CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(c2ccccn2)CC1 ZINC000008770556 135684782 /nfs/dbraw/zinc/68/47/82/135684782.db2.gz WAMOECJUIFOEON-CQSZACIVSA-N 0 0 329.404 1.917 10 0 EDAERN COc1cccc(N2C(=O)CN(C(=O)Cc3cccnc3)C[C@@H]2C)c1 ZINC000012571067 135696915 /nfs/dbraw/zinc/69/69/15/135696915.db2.gz ZCMLUUBFKGPHFD-AWEZNQCLSA-N 0 0 339.395 1.897 10 0 EDAERN C[C@@H](CC(=O)N1CC[C@H](OCc2ccncc2)C1)N1CCCCC1=O ZINC000328768153 140674030 /nfs/dbraw/zinc/67/40/30/140674030.db2.gz QFCXSECUPSCFJI-RDJZCZTQSA-N 0 0 345.443 1.990 10 0 EDAERN C[C@@H](CS(=O)(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330041181 140797173 /nfs/dbraw/zinc/79/71/73/140797173.db2.gz GDSCNCDNGASCFC-UXLLHSPISA-N 0 0 339.457 2.000 10 0 EDAERN C[C@@H](CS(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000330325620 140834518 /nfs/dbraw/zinc/83/45/18/140834518.db2.gz UTLGMWOEYVBSTC-GXTWGEPZSA-N 0 0 331.459 1.287 10 0 EDAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccnc2ccncc21 ZINC000330330304 140835204 /nfs/dbraw/zinc/83/52/04/140835204.db2.gz WYLZVZUSWLCTQG-TXEJJXNPSA-N 0 0 338.367 1.165 10 0 EDAERN CCc1nnc(C)cc1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333005588 141249399 /nfs/dbraw/zinc/24/93/99/141249399.db2.gz AAVPBNIJZJALOA-KGLIPLIRSA-N 0 0 330.432 1.868 10 0 EDAERN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000333114902 141266397 /nfs/dbraw/zinc/26/63/97/141266397.db2.gz YKNCAUKHTKUKAQ-HUUCEWRRSA-N 0 0 327.432 1.660 10 0 EDAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc2nncn2c1 ZINC000333189312 141278487 /nfs/dbraw/zinc/27/84/87/141278487.db2.gz VGZJNPMUCOICBB-OCCSQVGLSA-N 0 0 327.388 1.250 10 0 EDAERN Cc1cc(C(=O)N2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)[nH]c(=O)n1 ZINC000333241009 141286211 /nfs/dbraw/zinc/28/62/11/141286211.db2.gz DWLFEXDXIDTPCK-TXEJJXNPSA-N 0 0 349.293 1.433 10 0 EDAERN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCN(Cc2ccon2)CC1 ZINC000333571738 141338817 /nfs/dbraw/zinc/33/88/17/141338817.db2.gz UEZARMMRYASPIH-RDJZCZTQSA-N 0 0 334.464 1.972 10 0 EDAERN C[C@@H]1CN(c2ccnc(C(=O)N3CC[C@H](C)[C@H](O)C3)c2)C[C@H](C)O1 ZINC000333774895 141378983 /nfs/dbraw/zinc/37/89/83/141378983.db2.gz YXJGMJHXQARXOR-SZOQZIPDSA-N 0 0 333.432 1.538 10 0 EDAERN CO[C@](C)([C@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)C1CC1 ZINC000334135169 286149482 /nfs/dbraw/zinc/14/94/82/286149482.db2.gz XTJAMFBPACEDLB-CXHZTBPHSA-N 0 0 339.480 1.695 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]2CCO)C12CCOCC2 ZINC000248569296 286260138 /nfs/dbraw/zinc/26/01/38/286260138.db2.gz KVPKJGCPGCNTEZ-ARFHVFGLSA-N 0 0 340.464 1.907 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCC(O)(CC)CC)C12CCOCC2 ZINC000185699423 286264792 /nfs/dbraw/zinc/26/47/92/286264792.db2.gz IDDIWXWCJDSWBP-ZIAGYGMSSA-N 0 0 328.453 1.811 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)C[S@@](C)=O)C12CCOCC2 ZINC000248745084 286367362 /nfs/dbraw/zinc/36/73/62/286367362.db2.gz SBRBFXBTQRVAOX-SKKLXFKPSA-N 0 0 332.466 1.027 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@@H](C)C2 ZINC000180893410 292348651 /nfs/dbraw/zinc/34/86/51/292348651.db2.gz TZVHKAPGZWQMOI-FZMZJTMJSA-N 0 0 325.434 1.077 10 0 EDAERN CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)C1CCCC1 ZINC000081450304 287312954 /nfs/dbraw/zinc/31/29/54/287312954.db2.gz YYEDPWIMJYIMEE-SMDDNHRTSA-N 0 0 326.437 1.870 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000081580230 287314033 /nfs/dbraw/zinc/31/40/33/287314033.db2.gz DMHVDJKMFYNBFA-CYBMUJFWSA-N 0 0 328.372 1.552 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000081589114 287314089 /nfs/dbraw/zinc/31/40/89/287314089.db2.gz BDGWPAUPJKORKY-NSHDSACASA-N 0 0 332.408 1.851 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)N1CCCCCC1 ZINC000091049794 287332064 /nfs/dbraw/zinc/33/20/64/287332064.db2.gz TUOFGQHWPIKAOW-GFCCVEGCSA-N 0 0 342.465 1.312 10 0 EDAERN C[C@H](N[C@@H]1CCCn2ncnc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000164635536 226089077 /nfs/dbraw/zinc/08/90/77/226089077.db2.gz LDJJJPAQARNOHF-SWLSCSKDSA-N 0 0 349.460 1.714 10 0 EDAERN O=C(c1cc(Br)cn1C1CC1)N1CCOC[C@H]1CO ZINC000168170665 226209466 /nfs/dbraw/zinc/20/94/66/226209466.db2.gz GBDLMPLWTICWPP-LLVKDONJSA-N 0 0 329.194 1.419 10 0 EDAERN NC(=S)C1(NC(=O)[C@@H]2CCCCS2(=O)=O)CCCCCC1 ZINC000168466250 226214730 /nfs/dbraw/zinc/21/47/30/226214730.db2.gz SZYFYKOBOHGJSB-NSHDSACASA-N 0 0 332.491 1.449 10 0 EDAERN O=S(=O)(c1ccccc1C(F)(F)F)N1CCOC[C@H]1CO ZINC000168649542 226221046 /nfs/dbraw/zinc/22/10/46/226221046.db2.gz IHXRNGYWKWHZOT-SECBINFHSA-N 0 0 325.308 1.087 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CCS(=O)(=O)C1 ZINC000330330773 296926325 /nfs/dbraw/zinc/92/63/25/296926325.db2.gz NOCKXSQNZQEASB-SNVBAGLBSA-N 0 0 338.385 1.174 10 0 EDAERN Cc1ccccc1N1CCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 ZINC000126508787 287423267 /nfs/dbraw/zinc/42/32/67/287423267.db2.gz YZAJOEVXWTUKPE-QGZVFWFLSA-N 0 0 346.475 1.547 10 0 EDAERN CCC(O)(CC)CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122513651 222103640 /nfs/dbraw/zinc/10/36/40/222103640.db2.gz RRHGNGSLIQYIQQ-LLVKDONJSA-N 0 0 325.413 1.110 10 0 EDAERN CCCCN(CCO)C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000122524199 222105401 /nfs/dbraw/zinc/10/54/01/222105401.db2.gz FUNWWFSBGIYXEA-LBPRGKRZSA-N 0 0 325.413 1.063 10 0 EDAERN CS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000188562969 272958257 /nfs/dbraw/zinc/95/82/57/272958257.db2.gz KIANFFJMCNXUBL-OAHLLOKOSA-N 0 0 337.445 1.255 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000193375903 272991913 /nfs/dbraw/zinc/99/19/13/272991913.db2.gz OIACDKSEQGDFRU-LJQANCHMSA-N 0 0 348.487 1.859 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000193865572 272999104 /nfs/dbraw/zinc/99/91/04/272999104.db2.gz LVJPJDBWDXNDCU-RISCZKNCSA-N 0 0 338.791 1.539 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCCN(c2ccccc2)CC1)C(C)C ZINC000178447369 267564377 /nfs/dbraw/zinc/56/43/77/267564377.db2.gz ZRWLFYKKWGUGIF-MRXNPFEDSA-N 0 0 332.448 1.679 10 0 EDAERN Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000185506612 267694232 /nfs/dbraw/zinc/69/42/32/267694232.db2.gz GFCLRWUZDDBGRR-HZMBPMFUSA-N 0 0 330.363 1.842 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)C(C)C ZINC000192666328 267829743 /nfs/dbraw/zinc/82/97/43/267829743.db2.gz DKLVKHFANQGZJQ-SECBINFHSA-N 0 0 335.330 1.009 10 0 EDAERN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000194765873 267862537 /nfs/dbraw/zinc/86/25/37/267862537.db2.gz OPNCACOOHMPWMG-VIFPVBQESA-N 0 0 346.305 1.805 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000182008638 276444104 /nfs/dbraw/zinc/44/41/04/276444104.db2.gz BTGJYUVWWOMENA-CYBMUJFWSA-N 0 0 338.477 1.619 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(COC(C)(C)C)on2)CC1 ZINC000184882226 276536340 /nfs/dbraw/zinc/53/63/40/276536340.db2.gz QNARGPPQGNYGTQ-CYBMUJFWSA-N 0 0 339.436 1.518 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173966722 277076543 /nfs/dbraw/zinc/07/65/43/277076543.db2.gz AMOCJBRXKXYEJY-PXAZEXFGSA-N 0 0 349.406 1.577 10 0 EDAERN CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3Cl)CN2C1=O ZINC000014533407 277975224 /nfs/dbraw/zinc/97/52/24/277975224.db2.gz LAGVDVAZSHODJZ-LEWSCRJBSA-N 0 0 349.818 1.194 10 0 EDAERN CC(=O)NC1(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CCCCC1 ZINC000173863443 278081523 /nfs/dbraw/zinc/08/15/23/278081523.db2.gz VLDAUNMQTUCANX-GDBMZVCRSA-N 0 0 337.464 1.005 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NC(=O)N1CCC(c3ccnn3C)CC1)CC2 ZINC000158736880 279139885 /nfs/dbraw/zinc/13/98/85/279139885.db2.gz LWLMBJSETSESDU-AWEZNQCLSA-N 0 0 343.435 1.224 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc2c(cc1F)NC(=O)CC2 ZINC000125687674 279989747 /nfs/dbraw/zinc/98/97/47/279989747.db2.gz FZHLWNCPLPIPIP-JTQLQIEISA-N 0 0 329.335 1.047 10 0 EDAERN CC1([C@H]2CCCN(C(=O)N[C@H]3CCCn4ncnc43)C2)OCCO1 ZINC000182845491 281609339 /nfs/dbraw/zinc/60/93/39/281609339.db2.gz RYKGUEOJYOJDNJ-STQMWFEESA-N 0 0 335.408 1.298 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCC[C@H](CO)C2)[C@H]1c1ccccc1 ZINC000178484149 289801028 /nfs/dbraw/zinc/80/10/28/289801028.db2.gz YRZRUWSVNUMCAU-QILLFSRXSA-N 0 0 330.428 1.827 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N2CCC3(C2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000129404851 289817751 /nfs/dbraw/zinc/81/77/51/289817751.db2.gz QWLYYYTWMTUQNY-ZBFHGGJFSA-N 0 0 348.374 1.321 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000186864520 290109199 /nfs/dbraw/zinc/10/91/99/290109199.db2.gz ABOKZPOSIIEFSR-KGLIPLIRSA-N 0 0 345.365 1.962 10 0 EDAERN Cc1nccnc1S(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095089693 293660540 /nfs/dbraw/zinc/66/05/40/293660540.db2.gz PQHLMMPYPUIBCY-GFCCVEGCSA-N 0 0 341.433 1.958 10 0 EDAERN Cn1cccc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)c1=O ZINC000086431689 294370977 /nfs/dbraw/zinc/37/09/77/294370977.db2.gz QXTGJQICYQCGII-AWEZNQCLSA-N 0 0 325.368 1.518 10 0 EDAERN COc1c(Br)cccc1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000186884805 294884144 /nfs/dbraw/zinc/88/41/44/294884144.db2.gz BLWYHONLFUPHJC-ZYHUDNBSSA-N 0 0 327.178 1.287 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)n1 ZINC000128891443 295156984 /nfs/dbraw/zinc/15/69/84/295156984.db2.gz QZMLHPZGXSYTFS-CQSZACIVSA-N 0 0 343.387 1.434 10 0 EDAERN Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000330250198 301302572 /nfs/dbraw/zinc/30/25/72/301302572.db2.gz MVYJFVSZJKRUIH-ZDUSSCGKSA-N 0 0 349.449 1.688 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000097597228 441141711 /nfs/dbraw/zinc/14/17/11/441141711.db2.gz MXPVJQCJWBYCNT-CVEARBPZSA-N 0 0 348.443 1.963 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc(C2CC2)nc1 ZINC000103019434 441174765 /nfs/dbraw/zinc/17/47/65/441174765.db2.gz CTYHLBGZSXKYDW-ZDUSSCGKSA-N 0 0 338.433 1.497 10 0 EDAERN COc1ccc(-n2cnnc2SCc2nnc(C3CC3)n2C)cn1 ZINC000103352517 441179984 /nfs/dbraw/zinc/17/99/84/441179984.db2.gz OROSHEPPWCHFKS-UHFFFAOYSA-N 0 0 343.416 1.969 10 0 EDAERN COC(=O)C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccccc1 ZINC000016139210 441216380 /nfs/dbraw/zinc/21/63/80/441216380.db2.gz LNZGBQIHVKPCGP-AWEZNQCLSA-N 0 0 344.367 1.820 10 0 EDAERN C[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2C)N1CCOCC1 ZINC000105052804 441229379 /nfs/dbraw/zinc/22/93/79/441229379.db2.gz IJXKYSSYPDJEGI-CYBMUJFWSA-N 0 0 346.431 1.438 10 0 EDAERN Cc1cnn(CCC(=O)N2CCC(N(C)c3cccnn3)CC2)c1 ZINC000105816472 441277100 /nfs/dbraw/zinc/27/71/00/441277100.db2.gz BFNAKYBROUMIHC-UHFFFAOYSA-N 0 0 328.420 1.499 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000048699191 441325484 /nfs/dbraw/zinc/32/54/84/441325484.db2.gz LVYBYMNZDSJKBY-VIFPVBQESA-N 0 0 346.836 1.843 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccccc2[S@@](=O)CC)CC1 ZINC000106394477 441337014 /nfs/dbraw/zinc/33/70/14/441337014.db2.gz RXFGDRDBEBSCMY-QKFKETGDSA-N 0 0 338.473 1.343 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C[C@H](NC(C)=O)c2ccccc2)CC1 ZINC000106394931 441337127 /nfs/dbraw/zinc/33/71/27/441337127.db2.gz UWJYQPSJYNMHKV-ROUUACIJSA-N 0 0 347.459 1.169 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)CSc2nc3ccccc3o2)CC1 ZINC000106395642 441338443 /nfs/dbraw/zinc/33/84/43/441338443.db2.gz AFLJFRIEWOAPTB-CYBMUJFWSA-N 0 0 349.456 1.835 10 0 EDAERN Cn1cc(CN2CCCN(CC(=O)Nc3ccccc3F)CC2)cn1 ZINC000105869224 441299996 /nfs/dbraw/zinc/29/99/96/441299996.db2.gz GEUIHIRJNPGUKV-UHFFFAOYSA-N 0 0 345.422 1.706 10 0 EDAERN CCC(=O)Nc1ccc(NC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000048390197 441302491 /nfs/dbraw/zinc/30/24/91/441302491.db2.gz DDHMCAKOZNLWSZ-ZDUSSCGKSA-N 0 0 334.420 1.877 10 0 EDAERN CCCS(=O)(=O)CCN1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105885493 441307040 /nfs/dbraw/zinc/30/70/40/441307040.db2.gz JAWSUSUQEAEGNK-OAHLLOKOSA-N 0 0 328.482 1.432 10 0 EDAERN COc1ccccc1NC(=O)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105891659 441309858 /nfs/dbraw/zinc/30/98/58/441309858.db2.gz BPGPMENPVLONGP-OAHLLOKOSA-N 0 0 344.415 1.540 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc2cc(C)ccn2c1=O ZINC000081814118 441317826 /nfs/dbraw/zinc/31/78/26/441317826.db2.gz HVTQOGDGOBLDPQ-CYBMUJFWSA-N 0 0 338.371 1.168 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCCn1ccnc1C ZINC000083734719 441372472 /nfs/dbraw/zinc/37/24/72/441372472.db2.gz YXALWKFNAFHXKJ-CQSZACIVSA-N 0 0 331.424 1.706 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@](C)(O)c1cccs1 ZINC000083739981 441373878 /nfs/dbraw/zinc/37/38/78/441373878.db2.gz WCMXEFMETKYPDC-XHDPSFHLSA-N 0 0 335.433 1.690 10 0 EDAERN COCCNC(=O)[C@H]1COc2ccc(NC(=O)C(C)(C)C)cc2C1 ZINC000065082425 441402286 /nfs/dbraw/zinc/40/22/86/441402286.db2.gz HGOXBOPQGNGBDS-CYBMUJFWSA-N 0 0 334.416 1.985 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(=O)OC)cc1 ZINC000088197129 441495296 /nfs/dbraw/zinc/49/52/96/441495296.db2.gz VWXFVQWWWNFDDG-CYBMUJFWSA-N 0 0 328.372 1.892 10 0 EDAERN O=C(c1cc(Br)c[nH]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085749 441528956 /nfs/dbraw/zinc/52/89/56/441528956.db2.gz BCJBIMJCMJMWOF-LLVKDONJSA-N 0 0 339.193 1.515 10 0 EDAERN COc1cc(CNS(=O)(=O)c2n[nH]c3ncccc32)cc(OC)c1 ZINC000089224566 441529617 /nfs/dbraw/zinc/52/96/17/441529617.db2.gz MYVZBQGMGSRTJG-UHFFFAOYSA-N 0 0 348.384 1.454 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](c1ccco1)N(C)C ZINC000088479096 441509169 /nfs/dbraw/zinc/50/91/69/441509169.db2.gz OMGUBTNCDBWLDU-QWHCGFSZSA-N 0 0 346.435 1.871 10 0 EDAERN CCc1csc([C@@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)C2)n1 ZINC000113204274 441587022 /nfs/dbraw/zinc/58/70/22/441587022.db2.gz VQZWXAYQHMEVBZ-GFCCVEGCSA-N 0 0 349.456 1.951 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)Cn3cccn3)CC2)cn1 ZINC000113858546 441626049 /nfs/dbraw/zinc/62/60/49/441626049.db2.gz YOSSOQMQPGWIIW-UHFFFAOYSA-N 0 0 330.436 1.179 10 0 EDAERN C[C@@H](C(=O)NCCCCn1ccnc1)N1C(=O)c2ccccc2C1=O ZINC000041539111 441659017 /nfs/dbraw/zinc/65/90/17/441659017.db2.gz QPIQTPIOYDHYNW-ZDUSSCGKSA-N 0 0 340.383 1.464 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](COC)c1ccc(F)c(F)c1 ZINC000091260009 441689690 /nfs/dbraw/zinc/68/96/90/441689690.db2.gz FUOUNCKIWMUBBU-ZIAGYGMSSA-N 0 0 341.358 1.572 10 0 EDAERN O=C(NCCC1CC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000173305067 441707641 /nfs/dbraw/zinc/70/76/41/441707641.db2.gz VWAMHEMTVYKFQP-KRWDZBQOSA-N 0 0 347.459 1.554 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)c1ccc(C)cc1)CC2 ZINC000114976487 441708340 /nfs/dbraw/zinc/70/83/40/441708340.db2.gz DGCKYRHIJIPARE-LSDHHAIUSA-N 0 0 343.431 1.497 10 0 EDAERN COc1ccc(CCCCCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091783166 441742405 /nfs/dbraw/zinc/74/24/05/441742405.db2.gz CNORHMMDCUJULX-INIZCTEOSA-N 0 0 334.416 1.511 10 0 EDAERN CNC(=O)CCN(C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173452595 441755242 /nfs/dbraw/zinc/75/52/42/441755242.db2.gz NJUQSQSORZOUBE-CYBMUJFWSA-N 0 0 329.404 1.711 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000121508293 441721090 /nfs/dbraw/zinc/72/10/90/441721090.db2.gz OGNGZKMOXQXVOP-VXGBXAGGSA-N 0 0 327.450 1.722 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NCc3cccs3)CCO2)[nH]1 ZINC000173355417 441721898 /nfs/dbraw/zinc/72/18/98/441721898.db2.gz NSAHYCLHYDQHSG-GWCFXTLKSA-N 0 0 335.433 1.253 10 0 EDAERN CC(C)C(=O)NCCCNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000121951974 441818906 /nfs/dbraw/zinc/81/89/06/441818906.db2.gz MHMRNQXJCPVFPI-GFCCVEGCSA-N 0 0 340.449 1.388 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCSCc3ccccn3)CCO2)[nH]1 ZINC000173520159 441777091 /nfs/dbraw/zinc/77/70/91/441777091.db2.gz QHIWFIQTUOKAFJ-AWEZNQCLSA-N 0 0 347.444 1.732 10 0 EDAERN COc1ccc(CCNC(=O)NC[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000158973886 441777708 /nfs/dbraw/zinc/77/77/08/441777708.db2.gz VPMHZBLRPLZSID-AWEZNQCLSA-N 0 0 341.839 1.521 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C[C@@H]3c4ccccc4NC3=O)CCO2)[nH]1 ZINC000173529847 441779652 /nfs/dbraw/zinc/77/96/52/441779652.db2.gz NUFXSGDJYQKHNN-TZMCWYRMSA-N 0 0 341.371 1.139 10 0 EDAERN Cn1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c(C(C)(C)C)n1 ZINC000092245159 441781526 /nfs/dbraw/zinc/78/15/26/441781526.db2.gz RJKBDRDSMHOBJC-ZDUSSCGKSA-N 0 0 330.436 1.862 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000159351492 441806786 /nfs/dbraw/zinc/80/67/86/441806786.db2.gz ALRCBTKHOFJAIL-CZUORRHYSA-N 0 0 341.415 1.853 10 0 EDAERN O=C(NCc1cccnc1N1CCOCC1)NC[C@H]1CCCC[C@H]1O ZINC000077772740 441857769 /nfs/dbraw/zinc/85/77/69/441857769.db2.gz OSVIVAIPKJCZMQ-GDBMZVCRSA-N 0 0 348.447 1.269 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(OC)c2O)C[C@H]1CC ZINC000116977192 441861361 /nfs/dbraw/zinc/86/13/61/441861361.db2.gz PWLODFMTJDZTLH-CQSZACIVSA-N 0 0 336.432 1.974 10 0 EDAERN Cn1cc(CC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000173922745 441861963 /nfs/dbraw/zinc/86/19/63/441861963.db2.gz ZIICYDSYPBAGNC-ZIAGYGMSSA-N 0 0 336.436 1.772 10 0 EDAERN CC(C)OCCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117024246 441863498 /nfs/dbraw/zinc/86/34/98/441863498.db2.gz DYRINWQJDGAGLJ-GOSISDBHSA-N 0 0 349.475 1.862 10 0 EDAERN COCCN1CCN(C(=O)CCc2ccc(OC)c(F)c2)C[C@H]1C ZINC000117286185 441867163 /nfs/dbraw/zinc/86/71/63/441867163.db2.gz YDGBENNIEZUVCX-CQSZACIVSA-N 0 0 338.423 1.946 10 0 EDAERN COCCN1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C[C@@H]1C ZINC000117295156 441868688 /nfs/dbraw/zinc/86/86/88/441868688.db2.gz YWUKZEVVTJHMDN-HNNXBMFYSA-N 0 0 343.431 1.368 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CCN1CCOC ZINC000117306512 441868743 /nfs/dbraw/zinc/86/87/43/441868743.db2.gz MIGWXTMWDVNQEI-LBPRGKRZSA-N 0 0 344.253 1.960 10 0 EDAERN C[C@@H](NC(=O)NCC1(CO)COC1)c1cccc(-n2ccnc2)c1 ZINC000122951265 441869205 /nfs/dbraw/zinc/86/92/05/441869205.db2.gz CCKOXLWIOLVFTB-CYBMUJFWSA-N 0 0 330.388 1.241 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)C[C@H]1C ZINC000117443793 441872040 /nfs/dbraw/zinc/87/20/40/441872040.db2.gz CVXBKEZUQPPPSP-CQSZACIVSA-N 0 0 344.419 1.452 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3cccc(F)c3)C2)cn1 ZINC000116466329 441824750 /nfs/dbraw/zinc/82/47/50/441824750.db2.gz TUFMLWGARLJJFZ-ZDUSSCGKSA-N 0 0 330.363 1.305 10 0 EDAERN COc1cc(C)cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O ZINC000173981720 441873037 /nfs/dbraw/zinc/87/30/37/441873037.db2.gz UCYQFHXYNVUXKX-ZFWWWQNUSA-N 0 0 334.416 1.502 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@](C)(O)c2ccco2)C1 ZINC000173706659 441827216 /nfs/dbraw/zinc/82/72/16/441827216.db2.gz UETWAKLNCXCUNB-SJKOYZFVSA-N 0 0 338.404 1.860 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1nc(C3CC3)cs1)CC2 ZINC000140813693 441843891 /nfs/dbraw/zinc/84/38/91/441843891.db2.gz HQQUQTNHZAOVOS-NSHDSACASA-N 0 0 346.460 1.989 10 0 EDAERN O=C(NCCCOCC(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000173854440 441851741 /nfs/dbraw/zinc/85/17/41/441851741.db2.gz ASBQSKYLYZNUEL-LLVKDONJSA-N 0 0 335.330 1.594 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CO)c1ccccc1 ZINC000122558743 441853913 /nfs/dbraw/zinc/85/39/13/441853913.db2.gz JUUQEDZZHPTHLZ-KBPBESRZSA-N 0 0 345.403 1.292 10 0 EDAERN COc1cccc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000122572852 441853975 /nfs/dbraw/zinc/85/39/75/441853975.db2.gz PMBOUMLGNDWLBK-CYBMUJFWSA-N 0 0 342.399 1.932 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCn1cncn1 ZINC000174214572 441902844 /nfs/dbraw/zinc/90/28/44/441902844.db2.gz KBQRIOIXPNWTAH-QWHCGFSZSA-N 0 0 337.424 1.478 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC(=O)NCc1cccnc1 ZINC000174233918 441905906 /nfs/dbraw/zinc/90/59/06/441905906.db2.gz MUNZOHGTOQPTAJ-HNNXBMFYSA-N 0 0 348.447 1.687 10 0 EDAERN COc1ccc(Br)c2c1CC[C@@]1(C2)NC(=O)NC1=O ZINC000147432426 441907395 /nfs/dbraw/zinc/90/73/95/441907395.db2.gz BDBRLXRQJQWSOC-ZDUSSCGKSA-N 0 0 325.162 1.525 10 0 EDAERN CCOC(=O)C[C@@H](C)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000119053413 441914944 /nfs/dbraw/zinc/91/49/44/441914944.db2.gz RWDIYVAHFQDVFS-CQSZACIVSA-N 0 0 336.436 1.894 10 0 EDAERN Cc1cccn2cc(CC(=O)N[C@@H]3CCN(c4ccn(C)n4)C3)nc12 ZINC000095398264 441921843 /nfs/dbraw/zinc/92/18/43/441921843.db2.gz HKOBKHSZJASDHY-CQSZACIVSA-N 0 0 338.415 1.314 10 0 EDAERN CC(C)NC(=O)c1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000119197945 441922471 /nfs/dbraw/zinc/92/24/71/441922471.db2.gz VOKVQLFVPLXNHG-QGZVFWFLSA-N 0 0 345.443 1.372 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)o1 ZINC000117959943 441882389 /nfs/dbraw/zinc/88/23/89/441882389.db2.gz KLYQYKWEYIDCKV-DGCLKSJQSA-N 0 0 331.376 1.487 10 0 EDAERN COc1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1O ZINC000174072527 441885348 /nfs/dbraw/zinc/88/53/48/441885348.db2.gz VSRZDARRUFVIFF-ZDUSSCGKSA-N 0 0 331.376 1.539 10 0 EDAERN Cn1cc(N2CCN(C(=O)N[C@H]3CCOc4ccccc43)CC2)cn1 ZINC000174114433 441890186 /nfs/dbraw/zinc/89/01/86/441890186.db2.gz WMERUIYKUSLAJD-INIZCTEOSA-N 0 0 341.415 1.776 10 0 EDAERN CC(C)(C)OC(=O)COC[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000146493907 441897396 /nfs/dbraw/zinc/89/73/96/441897396.db2.gz BHBUOXRIRDWYEN-LBPRGKRZSA-N 0 0 331.409 1.981 10 0 EDAERN O=S(=O)(c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)nc1)N1CCOCC1 ZINC000078370873 441926032 /nfs/dbraw/zinc/92/60/32/441926032.db2.gz ATSNORBKCDBXAQ-GJZGRUSLSA-N 0 0 349.456 1.505 10 0 EDAERN COc1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1Br ZINC000093884460 441898800 /nfs/dbraw/zinc/89/88/00/441898800.db2.gz ZULNLMSAWUAYOS-ZYHUDNBSSA-N 0 0 327.178 1.287 10 0 EDAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1 ZINC000119896650 441972470 /nfs/dbraw/zinc/97/24/70/441972470.db2.gz UWUSAIDBYBUASD-NSHDSACASA-N 0 0 333.413 1.837 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3cncc(C)c3)CCO2)[nH]1 ZINC000119500826 441937626 /nfs/dbraw/zinc/93/76/26/441937626.db2.gz IEFCYULDBLIOQZ-CYBMUJFWSA-N 0 0 330.392 1.354 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)N[C@@H]1CCCn3ncnc31)CO2 ZINC000119519983 441939380 /nfs/dbraw/zinc/93/93/80/441939380.db2.gz NMYCYIAKCIPZCL-CQSZACIVSA-N 0 0 326.356 1.714 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)c3ccc(NC=O)cc3)CC2)cn1 ZINC000174654447 441949305 /nfs/dbraw/zinc/94/93/05/441949305.db2.gz PVAXETPPLSNCMU-UHFFFAOYSA-N 0 0 341.415 1.337 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1nc(C(C)(C)C)no1 ZINC000174750727 441963433 /nfs/dbraw/zinc/96/34/33/441963433.db2.gz YUOYXFQXBFVNDP-QWRGUYRKSA-N 0 0 325.413 1.058 10 0 EDAERN O=C(Nc1cnc2ccccc2c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000078994913 442006242 /nfs/dbraw/zinc/00/62/42/442006242.db2.gz WZEOCSLVYGBMHI-BBRMVZONSA-N 0 0 327.384 1.841 10 0 EDAERN CCc1nc(C2(NC(=O)Cn3nnnc3C(C)C)CCCC2)no1 ZINC000175157095 442009802 /nfs/dbraw/zinc/00/98/02/442009802.db2.gz KYOSIDLEHCQFDR-UHFFFAOYSA-N 0 0 333.396 1.328 10 0 EDAERN CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000125360087 442013896 /nfs/dbraw/zinc/01/38/96/442013896.db2.gz RARNPXQDGWDTKU-ZDUSSCGKSA-N 0 0 342.461 1.382 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000079314889 442038390 /nfs/dbraw/zinc/03/83/90/442038390.db2.gz FLUDNYKULAWOAQ-NEPJUHHUSA-N 0 0 331.372 1.619 10 0 EDAERN Cc1ccc(N2CCC(NC(=O)[C@H]3CCn4ccnc4C3)CC2)nc1 ZINC000161889771 442040434 /nfs/dbraw/zinc/04/04/34/442040434.db2.gz HKDCJIXPMCVPDN-HNNXBMFYSA-N 0 0 339.443 1.934 10 0 EDAERN CC(C)(C)[C@H](O)CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000120281393 442042084 /nfs/dbraw/zinc/04/20/84/442042084.db2.gz XRBFGEDFZBJRAI-SECBINFHSA-N 0 0 347.209 1.295 10 0 EDAERN C[C@@H]1CN(C(=O)NCCCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000175613202 442093387 /nfs/dbraw/zinc/09/33/87/442093387.db2.gz VDIOQVKAFNHMMO-SJLPKXTDSA-N 0 0 331.460 1.981 10 0 EDAERN COC(=O)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000125834439 442052477 /nfs/dbraw/zinc/05/24/77/442052477.db2.gz VPIKJTAWPUVZIU-WDBKCZKBSA-N 0 0 336.363 1.270 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCNc1ccccn1 ZINC000120374706 442058410 /nfs/dbraw/zinc/05/84/10/442058410.db2.gz LOYRWWKHKSODQJ-CYBMUJFWSA-N 0 0 343.435 1.872 10 0 EDAERN COc1ccccc1-c1nn(C)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000151423855 442060349 /nfs/dbraw/zinc/06/03/49/442060349.db2.gz FCOLLRMFBDYPOV-CYBMUJFWSA-N 0 0 344.415 1.156 10 0 EDAERN CCc1nnc(NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000151453677 442064672 /nfs/dbraw/zinc/06/46/72/442064672.db2.gz LTYLTOQJEULIMS-VIFPVBQESA-N 0 0 335.437 1.952 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175456274 442067136 /nfs/dbraw/zinc/06/71/36/442067136.db2.gz XZQSFUCSJXWVEM-CYBMUJFWSA-N 0 0 335.310 1.928 10 0 EDAERN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H]1C[C@@H]1C)CC2 ZINC000162137673 442068544 /nfs/dbraw/zinc/06/85/44/442068544.db2.gz RXGJPTWTYIXIGH-SWLSCSKDSA-N 0 0 346.427 1.893 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)[nH]1 ZINC000175488956 442072573 /nfs/dbraw/zinc/07/25/73/442072573.db2.gz HSEXJTSIHFFSLP-AWEZNQCLSA-N 0 0 331.376 1.144 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCCN1CCOCC1 ZINC000175501717 442076738 /nfs/dbraw/zinc/07/67/38/442076738.db2.gz SFHFLAFDRJRKSS-MRXNPFEDSA-N 0 0 335.452 1.088 10 0 EDAERN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000175711576 442110253 /nfs/dbraw/zinc/11/02/53/442110253.db2.gz PFMGXRAYVAQBEH-CYBMUJFWSA-N 0 0 329.360 1.156 10 0 EDAERN Cc1cccc(CCNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000175734829 442113174 /nfs/dbraw/zinc/11/31/74/442113174.db2.gz BXZQLULESYCILG-AEFFLSMTSA-N 0 0 331.460 1.900 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000120665752 442113425 /nfs/dbraw/zinc/11/34/25/442113425.db2.gz ALHFXXZOUAPCKZ-DYVFJYSZSA-N 0 0 345.443 1.568 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)cc1F ZINC000120685419 442117232 /nfs/dbraw/zinc/11/72/32/442117232.db2.gz VUQZJGJZENMLDS-VIFPVBQESA-N 0 0 326.349 1.866 10 0 EDAERN CC(C)Cn1ccnc1CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175813437 442128130 /nfs/dbraw/zinc/12/81/30/442128130.db2.gz WXZFTYCMKDQULL-HOTGVXAUSA-N 0 0 349.479 1.401 10 0 EDAERN CC(C)N(C)C(=O)C1CCN(C(=O)CN2[C@H](C)COC[C@@H]2C)CC1 ZINC000120907526 442150049 /nfs/dbraw/zinc/15/00/49/442150049.db2.gz MSSQSZJDGSMFBD-GASCZTMLSA-N 0 0 339.480 1.201 10 0 EDAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000151665061 442103383 /nfs/dbraw/zinc/10/33/83/442103383.db2.gz XSARQXBUUNJYBU-HNNXBMFYSA-N 0 0 335.452 1.994 10 0 EDAERN CCCNc1nnc(S(=O)(=O)Cc2nnc(CC)n2C)s1 ZINC000162557315 442103450 /nfs/dbraw/zinc/10/34/50/442103450.db2.gz QSSJGNHILQYOBP-UHFFFAOYSA-N 0 0 330.439 1.025 10 0 EDAERN C[C@H](NC(=O)NCCS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 ZINC000080010360 442107023 /nfs/dbraw/zinc/10/70/23/442107023.db2.gz YIUPGKUFLANHRU-JSGCOSHPSA-N 0 0 326.418 1.327 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000152238471 442186071 /nfs/dbraw/zinc/18/60/71/442186071.db2.gz QDFWPPQZXICNLH-LBPRGKRZSA-N 0 0 335.404 1.889 10 0 EDAERN Cc1cc(=O)[nH]cc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000164718494 442201840 /nfs/dbraw/zinc/20/18/40/442201840.db2.gz GZZXDJAKQQJROV-NSHDSACASA-N 0 0 334.397 1.578 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NC[C@@]3(C)CCCS3)CCO2)[nH]1 ZINC000120940063 442154849 /nfs/dbraw/zinc/15/48/49/442154849.db2.gz SWDVGQHAALGWBG-IAQYHMDHSA-N 0 0 339.465 1.736 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(C)C ZINC000126928250 442154892 /nfs/dbraw/zinc/15/48/92/442154892.db2.gz QRYXUVRVPNBMFB-WBVHZDCISA-N 0 0 349.479 1.704 10 0 EDAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000163337120 442159677 /nfs/dbraw/zinc/15/96/77/442159677.db2.gz KEYFLAKSGWOGSI-GHMZBOCLSA-N 0 0 325.796 1.649 10 0 EDAERN C[C@@H](NC(=O)N(CCO)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000121405583 442213479 /nfs/dbraw/zinc/21/34/79/442213479.db2.gz ZMSLRXSRLDSQBP-CQSZACIVSA-N 0 0 343.431 1.880 10 0 EDAERN O=C(N1CCO[C@@H](CO)C1)C1(c2ccc(Br)cc2)CC1 ZINC000167431712 442221295 /nfs/dbraw/zinc/22/12/95/442221295.db2.gz QQJRZVRRYGQAHT-CYBMUJFWSA-N 0 0 340.217 1.700 10 0 EDAERN CC(=O)OCC(COC(C)=O)OC(=O)c1ccccc1OC(C)=O ZINC000169336477 442226464 /nfs/dbraw/zinc/22/64/64/442226464.db2.gz ZUKHFKZEMABMRM-UHFFFAOYSA-N 0 0 338.312 1.264 10 0 EDAERN CC(=O)N(C)CC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000176590822 442237580 /nfs/dbraw/zinc/23/75/80/442237580.db2.gz MZCIYWJMFYEZSX-OCCSQVGLSA-N 0 0 339.461 1.104 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C1 ZINC000176850330 442263620 /nfs/dbraw/zinc/26/36/20/442263620.db2.gz CUSMHIZIUFSNBL-QMMMGPOBSA-N 0 0 347.749 1.004 10 0 EDAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000128510682 442271267 /nfs/dbraw/zinc/27/12/67/442271267.db2.gz WZGNUERSCVSVJQ-ZDUSSCGKSA-N 0 0 337.449 1.513 10 0 EDAERN C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000128566915 442274974 /nfs/dbraw/zinc/27/49/74/442274974.db2.gz HRDZBXSKAMPWMT-HOCLYGCPSA-N 0 0 336.436 1.499 10 0 EDAERN CC(=O)N1CCC(CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000170896031 442284846 /nfs/dbraw/zinc/28/48/46/442284846.db2.gz OCEDXXXAVUNEPC-QGZVFWFLSA-N 0 0 339.480 1.548 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCNC(=O)C1CCC1 ZINC000177033239 442288482 /nfs/dbraw/zinc/28/84/82/442288482.db2.gz LDSMGVSFRQDNFC-ZDUSSCGKSA-N 0 0 346.431 1.619 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2sccc2Br)C1 ZINC000170923579 442289677 /nfs/dbraw/zinc/28/96/77/442289677.db2.gz BGTPGLIONSZRCV-SECBINFHSA-N 0 0 348.266 1.640 10 0 EDAERN CCCC[C@@H](COC)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000128921439 442295099 /nfs/dbraw/zinc/29/50/99/442295099.db2.gz CATFRWOVNRZEON-UONOGXRCSA-N 0 0 334.482 1.512 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000171051664 442304130 /nfs/dbraw/zinc/30/41/30/442304130.db2.gz KNUYPTDEZUNVQC-CABZTGNLSA-N 0 0 346.246 1.889 10 0 EDAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000154084381 442320943 /nfs/dbraw/zinc/32/09/43/442320943.db2.gz CLYTVFMSWXUEMR-KBPBESRZSA-N 0 0 343.445 1.765 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(N)=O)s1 ZINC000171196578 442326084 /nfs/dbraw/zinc/32/60/84/442326084.db2.gz UMFCRLBQBBNZON-VWYCJHECSA-N 0 0 336.413 1.793 10 0 EDAERN O=C(N[C@H]1COc2ccccc21)N1CCN(c2cccnn2)CC1 ZINC000171198301 442326167 /nfs/dbraw/zinc/32/61/67/442326167.db2.gz SPSRNXARGADFQZ-AWEZNQCLSA-N 0 0 325.372 1.442 10 0 EDAERN O=C(Cc1ccc(O)cc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177330860 442328763 /nfs/dbraw/zinc/32/87/63/442328763.db2.gz NASWNYWNIRTTCU-LJQANCHMSA-N 0 0 340.423 1.813 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)Cn2ccnc2C)C1 ZINC000171215816 442329343 /nfs/dbraw/zinc/32/93/43/442329343.db2.gz VTXJVILLCZMMJF-HOCLYGCPSA-N 0 0 349.479 1.918 10 0 EDAERN C[C@@](O)(CN1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000171226762 442330624 /nfs/dbraw/zinc/33/06/24/442330624.db2.gz OSMWAGWKBWCLGM-LJQANCHMSA-N 0 0 325.412 1.747 10 0 EDAERN O=C(Cc1ccccc1O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000171241150 442332424 /nfs/dbraw/zinc/33/24/24/442332424.db2.gz RXUPVEAIPVHXTB-AWEZNQCLSA-N 0 0 331.393 1.970 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000171286064 442338085 /nfs/dbraw/zinc/33/80/85/442338085.db2.gz WWHXGJVLRHKTST-KRWDZBQOSA-N 0 0 327.384 1.934 10 0 EDAERN O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000154425916 442338869 /nfs/dbraw/zinc/33/88/69/442338869.db2.gz KBADJMLAROGUPJ-OLZOCXBDSA-N 0 0 334.372 1.233 10 0 EDAERN CC(C)c1nnc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)n1C ZINC000171288146 442339052 /nfs/dbraw/zinc/33/90/52/442339052.db2.gz TVOPRXLVQYEZPC-INIZCTEOSA-N 0 0 328.376 1.301 10 0 EDAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1Cc1ccccc1 ZINC000171287494 442339091 /nfs/dbraw/zinc/33/90/91/442339091.db2.gz SUCRDNUHYRXFEZ-INIZCTEOSA-N 0 0 328.416 1.300 10 0 EDAERN Cn1cc(C(=O)C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)cn1 ZINC000171305375 442340716 /nfs/dbraw/zinc/34/07/16/442340716.db2.gz UXXLXOFSIQGCLP-OAHLLOKOSA-N 0 0 327.384 1.982 10 0 EDAERN CCC[C@@H](O)CNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000154537081 442344605 /nfs/dbraw/zinc/34/46/05/442344605.db2.gz HEZJFINPCVSZPR-CZUORRHYSA-N 0 0 336.432 1.727 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000171413425 442346167 /nfs/dbraw/zinc/34/61/67/442346167.db2.gz LSVQYJXEEBKCDZ-LBPRGKRZSA-N 0 0 330.413 1.946 10 0 EDAERN O=C(COCCOc1ccccc1)N1CCC[C@H](n2cncn2)C1 ZINC000171661991 442367602 /nfs/dbraw/zinc/36/76/02/442367602.db2.gz LJZIHCPCUZYLRG-HNNXBMFYSA-N 0 0 330.388 1.537 10 0 EDAERN Cc1cccc(OCCNC(=O)CN2CCC[C@H](n3cncn3)C2)c1 ZINC000171703936 442372268 /nfs/dbraw/zinc/37/22/68/442372268.db2.gz PZMIBCWCAIKNGS-INIZCTEOSA-N 0 0 343.431 1.419 10 0 EDAERN CS(=O)(=O)Cc1nc(CN2CCN3CCCC[C@@H]3C2)cs1 ZINC000177756347 442380195 /nfs/dbraw/zinc/38/01/95/442380195.db2.gz VPXQBWBMULXODU-CYBMUJFWSA-N 0 0 329.491 1.358 10 0 EDAERN C=CC(=O)NCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000171779505 442380976 /nfs/dbraw/zinc/38/09/76/442380976.db2.gz WWLMYPPBBZCMJP-INIZCTEOSA-N 0 0 331.416 1.168 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3ccsc3)CCO2)c1 ZINC000171839469 442384575 /nfs/dbraw/zinc/38/45/75/442384575.db2.gz QAONLJWFQSPVDJ-HNNXBMFYSA-N 0 0 334.445 1.906 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177789712 442384619 /nfs/dbraw/zinc/38/46/19/442384619.db2.gz IDEBBNDBIZUABO-QGZVFWFLSA-N 0 0 326.400 1.824 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)CC(=O)N2 ZINC000171868525 442385965 /nfs/dbraw/zinc/38/59/65/442385965.db2.gz DMLWCBMYLQNQHN-MFKMUULPSA-N 0 0 340.387 1.148 10 0 EDAERN O=C(Nc1ccc(CN2CCOC2=O)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171890976 442387284 /nfs/dbraw/zinc/38/72/84/442387284.db2.gz DMCXALQRKUZKDV-INIZCTEOSA-N 0 0 344.415 1.951 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](Cn4cccn4)C3)[nH]n2)o1 ZINC000171883418 442387350 /nfs/dbraw/zinc/38/73/50/442387350.db2.gz IWNPMCXJUQPDTL-CYBMUJFWSA-N 0 0 341.371 1.716 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000132275366 442390082 /nfs/dbraw/zinc/39/00/82/442390082.db2.gz FGQGZYVYOSBEEJ-WFASDCNBSA-N 0 0 332.404 1.324 10 0 EDAERN COCc1csc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000177882673 442393003 /nfs/dbraw/zinc/39/30/03/442393003.db2.gz UAGOEZIRUIBOGR-YPMHNXCESA-N 0 0 340.449 1.474 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000171588110 442359677 /nfs/dbraw/zinc/35/96/77/442359677.db2.gz OJJYNEVMMSWHCS-UHFFFAOYSA-N 0 0 334.811 1.948 10 0 EDAERN C[C@@H](NC(=O)NCCc1ccccc1O)c1nnc2n1CCCC2 ZINC000178197045 442414996 /nfs/dbraw/zinc/41/49/96/442414996.db2.gz JRHRNPMEHBXWIS-GFCCVEGCSA-N 0 0 329.404 1.923 10 0 EDAERN CC(C)S(=O)(=O)CCN1CCC(N(C)c2cccnn2)CC1 ZINC000178222585 442416125 /nfs/dbraw/zinc/41/61/25/442416125.db2.gz UBYXTUBYGUYYTD-UHFFFAOYSA-N 0 0 326.466 1.200 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCCn3cccn3)CC2)cs1 ZINC000172188004 442421286 /nfs/dbraw/zinc/42/12/86/442421286.db2.gz GZMXIZUCMWUMHI-UHFFFAOYSA-N 0 0 348.476 1.566 10 0 EDAERN O=C(C1CC1)N1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000155720177 442421659 /nfs/dbraw/zinc/42/16/59/442421659.db2.gz CQDRKFQSPIGXBQ-NTEUORMPSA-N 0 0 334.441 1.931 10 0 EDAERN CCc1ccc(OCC(=O)N2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000155530408 442405566 /nfs/dbraw/zinc/40/55/66/442405566.db2.gz GBCAYPSOJFBMDG-HNNXBMFYSA-N 0 0 331.372 1.919 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000172214695 442424792 /nfs/dbraw/zinc/42/47/92/442424792.db2.gz HMCFVCQJJGRYAW-RISCZKNCSA-N 0 0 327.388 1.593 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@@](C)(c2cc(F)cc(F)c2)C1=O ZINC000178338419 442425774 /nfs/dbraw/zinc/42/57/74/442425774.db2.gz YWGPBLHUDXLBIC-INIZCTEOSA-N 0 0 349.341 1.852 10 0 EDAERN O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1CCCC[C@H]1O ZINC000155782939 442427147 /nfs/dbraw/zinc/42/71/47/442427147.db2.gz GYFLGZQFQOVHOH-DOTOQJQBSA-N 0 0 341.411 1.578 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000178397226 442430372 /nfs/dbraw/zinc/43/03/72/442430372.db2.gz ZEVDVWAJMDBWGB-LLVKDONJSA-N 0 0 344.198 1.669 10 0 EDAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178404308 442430731 /nfs/dbraw/zinc/43/07/31/442430731.db2.gz WMHYFDJHKFOMKB-MRXNPFEDSA-N 0 0 348.447 1.105 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1ccc(F)cc1)CC2 ZINC000172262728 442432647 /nfs/dbraw/zinc/43/26/47/442432647.db2.gz IDAAAUDWWCTGJD-CQSZACIVSA-N 0 0 331.395 1.836 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000172267802 442433076 /nfs/dbraw/zinc/43/30/76/442433076.db2.gz AHZNPNAJIXQDAP-GUYCJALGSA-N 0 0 333.432 1.857 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1nc3ccccc3[nH]1)CC2 ZINC000172253929 442430923 /nfs/dbraw/zinc/43/09/23/442430923.db2.gz IGYOJEHHWRGCQU-LBPRGKRZSA-N 0 0 338.415 1.781 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@H](C)COCc1ccccc1)C(C)C ZINC000178451882 442435372 /nfs/dbraw/zinc/43/53/72/442435372.db2.gz VFTLKLQJUCEUTQ-GOEBONIOSA-N 0 0 335.448 1.909 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1CC ZINC000172299859 442438193 /nfs/dbraw/zinc/43/81/93/442438193.db2.gz PGNPBTRBDIVGIZ-AEFFLSMTSA-N 0 0 332.444 1.949 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](C)CN1CCOCC1)C(C)C ZINC000133948693 442442350 /nfs/dbraw/zinc/44/23/50/442442350.db2.gz MKNWISBEKISTOE-DOTOQJQBSA-N 0 0 341.496 1.258 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172397773 442454577 /nfs/dbraw/zinc/45/45/77/442454577.db2.gz CXGURLHWZYGBOB-OAHLLOKOSA-N 0 0 338.415 1.875 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000178683041 442456455 /nfs/dbraw/zinc/45/64/55/442456455.db2.gz OCIOWXUGWCBLBV-QWHCGFSZSA-N 0 0 325.453 1.158 10 0 EDAERN CCOc1ccccc1C(F)(F)C(=O)N1CC(NC(=O)COC)C1 ZINC000186316297 442510267 /nfs/dbraw/zinc/51/02/67/442510267.db2.gz FETCANBXUKHDRY-UHFFFAOYSA-N 0 0 342.342 1.151 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000172594501 442498996 /nfs/dbraw/zinc/49/89/96/442498996.db2.gz WPARLTRMVDZNEY-ZDUSSCGKSA-N 0 0 331.424 1.221 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)C(C)C ZINC000178844450 442500283 /nfs/dbraw/zinc/50/02/83/442500283.db2.gz BOZIQPKTLNQVDG-HZPDHXFCSA-N 0 0 335.423 1.677 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000179791953 442504090 /nfs/dbraw/zinc/50/40/90/442504090.db2.gz WLNJDWOHBSWQMS-JKSUJKDBSA-N 0 0 348.443 1.963 10 0 EDAERN Cc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1S(N)(=O)=O ZINC000172634693 442510751 /nfs/dbraw/zinc/51/07/51/442510751.db2.gz ZJWULOIHPBOKIO-KGLIPLIRSA-N 0 0 338.429 1.426 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)cn1 ZINC000191785595 442510818 /nfs/dbraw/zinc/51/08/18/442510818.db2.gz SWIXILLANLVTMD-OAHLLOKOSA-N 0 0 328.372 1.442 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000186305162 442508064 /nfs/dbraw/zinc/50/80/64/442508064.db2.gz CJAWFWDGIHEYNS-UHFFFAOYSA-N 0 0 332.360 1.697 10 0 EDAERN CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178718839 442462481 /nfs/dbraw/zinc/46/24/81/442462481.db2.gz RNCRQKUFGSYMMC-CYBMUJFWSA-N 0 0 326.418 1.586 10 0 EDAERN C[C@H](NC(=O)N1CCC([C@H](O)c2nccn2C)CC1)[C@@H]1CCCO1 ZINC000156386242 442475252 /nfs/dbraw/zinc/47/52/52/442475252.db2.gz NTADFOTYOOHCQL-QEJZJMRPSA-N 0 0 336.436 1.443 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)Nc2cccn(C)c2=O)[C@H]1c1ccc(F)cc1 ZINC000134392903 442477184 /nfs/dbraw/zinc/47/71/84/442477184.db2.gz BFHOMZDDUCOYIA-CZUORRHYSA-N 0 0 343.358 1.683 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000186177716 442478765 /nfs/dbraw/zinc/47/87/65/442478765.db2.gz VNCOTBFWUYRPDF-UHFFFAOYSA-N 0 0 338.429 1.375 10 0 EDAERN Cn1nccc1C1CCN(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000172535065 442483195 /nfs/dbraw/zinc/48/31/95/442483195.db2.gz QPPWZFZJHKQIIY-UHFFFAOYSA-N 0 0 345.403 1.332 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760370 442537252 /nfs/dbraw/zinc/53/72/52/442537252.db2.gz WHNMMKQSBVUWKD-OAHLLOKOSA-N 0 0 328.416 1.278 10 0 EDAERN O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767184 442539484 /nfs/dbraw/zinc/53/94/84/442539484.db2.gz DJXUYZWLVMFCNT-NVXWUHKLSA-N 0 0 347.390 1.252 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC1)c1cccs1 ZINC000179018670 442553458 /nfs/dbraw/zinc/55/34/58/442553458.db2.gz FNDCQPWGEPAUBF-HUUCEWRRSA-N 0 0 344.436 1.994 10 0 EDAERN Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H](C(N)=O)C(C)C)cn2)n1 ZINC000134692380 442512066 /nfs/dbraw/zinc/51/20/66/442512066.db2.gz XGEZIDXWHSEVKN-HNNXBMFYSA-N 0 0 344.419 1.193 10 0 EDAERN CC[C@@H](CSC)NC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000179977002 442524998 /nfs/dbraw/zinc/52/49/98/442524998.db2.gz DUGIKCGVBRIJIY-ZDUSSCGKSA-N 0 0 341.481 1.737 10 0 EDAERN O=C(C[C@@H]1CCCN1CC(=O)N1CCNC1=O)c1ccc(F)cc1 ZINC000134841213 442527772 /nfs/dbraw/zinc/52/77/72/442527772.db2.gz GHFCRPUFYOTZAZ-AWEZNQCLSA-N 0 0 333.363 1.415 10 0 EDAERN CS(=O)(=O)CCCCCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000186405403 442528293 /nfs/dbraw/zinc/52/82/93/442528293.db2.gz MZORSDNHNIZCNX-ZDUSSCGKSA-N 0 0 342.465 1.065 10 0 EDAERN CCOc1ncc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000172749289 442532283 /nfs/dbraw/zinc/53/22/83/442532283.db2.gz JIABBUYLBPMWPX-CYBMUJFWSA-N 0 0 339.823 1.680 10 0 EDAERN O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172752219 442533680 /nfs/dbraw/zinc/53/36/80/442533680.db2.gz AVWYYIRHUOWUEP-CYBMUJFWSA-N 0 0 345.374 1.214 10 0 EDAERN C[C@H](NC(=O)c1ccc2c(c1)nnn2C)c1nnc2n1CCCC2 ZINC000135265348 442574383 /nfs/dbraw/zinc/57/43/83/442574383.db2.gz QHWDYWLUURHINX-JTQLQIEISA-N 0 0 325.376 1.387 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)CC3CCOCC3)C2)no1 ZINC000173114369 442605516 /nfs/dbraw/zinc/60/55/16/442605516.db2.gz HCYZBGYUWGWEDZ-AWEZNQCLSA-N 0 0 343.449 1.389 10 0 EDAERN CNc1c(Cl)ncnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000136042212 442647540 /nfs/dbraw/zinc/64/75/40/442647540.db2.gz QRVJJICAUWDVJV-SECBINFHSA-N 0 0 337.815 1.746 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180578821 442626921 /nfs/dbraw/zinc/62/69/21/442626921.db2.gz HPFFQYVBJYJYQL-ZFWWWQNUSA-N 0 0 342.399 1.683 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)Nc3cnns3)CC2)n1 ZINC000192332032 442634489 /nfs/dbraw/zinc/63/44/89/442634489.db2.gz HERKRFWAOUUEAP-VIFPVBQESA-N 0 0 337.409 1.394 10 0 EDAERN CCc1ccc([C@H](COC)NC(=O)N[C@@H](C(=O)NC)C(C)C)o1 ZINC000192665554 442674680 /nfs/dbraw/zinc/67/46/80/442674680.db2.gz HWBDLLOLRXXNJG-GXTWGEPZSA-N 0 0 325.409 1.599 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1ccnn1Cc1ccccn1 ZINC000181138936 442681667 /nfs/dbraw/zinc/68/16/67/442681667.db2.gz AZEHYBUVMNWDIX-ZFWWWQNUSA-N 0 0 329.404 1.999 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000181241658 442686302 /nfs/dbraw/zinc/68/63/02/442686302.db2.gz BLQNXIHHIMWRCD-OAHLLOKOSA-N 0 0 337.468 1.850 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000187723984 442688602 /nfs/dbraw/zinc/68/86/02/442688602.db2.gz HEWAOAAIZKTOQY-CYBMUJFWSA-N 0 0 337.401 1.703 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(OCC(C)C)c1 ZINC000192890626 442695707 /nfs/dbraw/zinc/69/57/07/442695707.db2.gz SLINTDYBRTYWQH-NVXWUHKLSA-N 0 0 334.416 1.319 10 0 EDAERN C[C@@H](CN(C)C(=O)[C@H](Cc1ccccc1)NC(N)=O)c1nccs1 ZINC000181428578 442697231 /nfs/dbraw/zinc/69/72/31/442697231.db2.gz YXBDZAKPONWGCA-JSGCOSHPSA-N 0 0 346.456 1.985 10 0 EDAERN COc1ccc(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000181439860 442697590 /nfs/dbraw/zinc/69/75/90/442697590.db2.gz GQCHURXXQWZBTI-GFCCVEGCSA-N 0 0 330.392 1.942 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC2(CCO)CC2)[C@H]1c1ccccc1 ZINC000187998939 442702595 /nfs/dbraw/zinc/70/25/95/442702595.db2.gz VHOOKSPGAJMWKO-DOTOQJQBSA-N 0 0 330.428 1.875 10 0 EDAERN CCCN(CCO)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000193016524 442705760 /nfs/dbraw/zinc/70/57/60/442705760.db2.gz LEWJQZAZAATKOE-GFCCVEGCSA-N 0 0 328.434 1.565 10 0 EDAERN C[C@H]1CN(C(=O)NCc2ccc(Cl)cn2)C[C@@H]1N1CCOCC1 ZINC000180827250 442663407 /nfs/dbraw/zinc/66/34/07/442663407.db2.gz CMHKSMWSFSFSJG-WFASDCNBSA-N 0 0 338.839 1.597 10 0 EDAERN O=C(NC[C@H]1COC2(CCCCC2)O1)N[C@@H]1CCCn2ncnc21 ZINC000180886814 442667446 /nfs/dbraw/zinc/66/74/46/442667446.db2.gz ODJJUSPJBMUKNB-QWHCGFSZSA-N 0 0 335.408 1.488 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)/C=C/c1cncc(O)c1)CC2 ZINC000182099839 442736070 /nfs/dbraw/zinc/73/60/70/442736070.db2.gz ZKRJPMYIZDBYLP-VUUYWXRKSA-N 0 0 327.388 1.647 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000193588336 442756721 /nfs/dbraw/zinc/75/67/21/442756721.db2.gz UGJBKFNLWAHNCQ-IPMKNSEASA-N 0 0 344.455 1.982 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccoc1Br)CC2 ZINC000193587242 442756980 /nfs/dbraw/zinc/75/69/80/442756980.db2.gz UVZBIAWLTNSNMD-QMMMGPOBSA-N 0 0 339.193 1.941 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1nc3ccccn3c1=O)[C@H](C)C2 ZINC000182186506 442743696 /nfs/dbraw/zinc/74/36/96/442743696.db2.gz OSUKFBLLAAHFEE-FZKQIMNGSA-N 0 0 336.395 1.854 10 0 EDAERN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188419342 442748382 /nfs/dbraw/zinc/74/83/82/442748382.db2.gz KCCFVHPOSMEOII-ZWNOBZJWSA-N 0 0 326.780 1.577 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(Br)nc2)C1)C1CCC1 ZINC000188469083 442753216 /nfs/dbraw/zinc/75/32/16/442753216.db2.gz SVNPPURCTGTJFR-UHFFFAOYSA-N 0 0 338.205 1.585 10 0 EDAERN O=C(NCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccco1 ZINC000182287258 442753328 /nfs/dbraw/zinc/75/33/28/442753328.db2.gz JYYMREHXZNICBT-ZDUSSCGKSA-N 0 0 331.376 1.669 10 0 EDAERN CCCCN(C)S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181732960 442713282 /nfs/dbraw/zinc/71/32/82/442713282.db2.gz ZEJIEIUJFIKTTB-GFCCVEGCSA-N 0 0 329.470 1.283 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246681637 442801015 /nfs/dbraw/zinc/80/10/15/442801015.db2.gz IUEOOPYDYMAUGA-QLFBSQMISA-N 0 0 348.447 1.110 10 0 EDAERN CSc1ncc(Cl)c(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)n1 ZINC000246687361 442802455 /nfs/dbraw/zinc/80/24/55/442802455.db2.gz JDWYCZAEFODTGO-UWVGGRQHSA-N 0 0 344.868 1.379 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(NC(C)=O)c1C)CC2 ZINC000188505416 442757666 /nfs/dbraw/zinc/75/76/66/442757666.db2.gz MWFLLGWCNRKMNE-CYBMUJFWSA-N 0 0 341.415 1.852 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3ncsc3c2)C1 ZINC000193666718 442765662 /nfs/dbraw/zinc/76/56/62/442765662.db2.gz AFAIYUHYAPGJME-LBPRGKRZSA-N 0 0 346.412 1.362 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCCn1ccnn1 ZINC000182483645 442773772 /nfs/dbraw/zinc/77/37/72/442773772.db2.gz RVCBAHTYRZZCGL-AWEZNQCLSA-N 0 0 331.424 1.565 10 0 EDAERN COC(=O)[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1 ZINC000182517310 442779501 /nfs/dbraw/zinc/77/95/01/442779501.db2.gz PKVWZFFJAHLOJI-GOSISDBHSA-N 0 0 338.363 1.754 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000188869874 442831623 /nfs/dbraw/zinc/83/16/23/442831623.db2.gz YYVRFHRNEBGKQN-LBPRGKRZSA-N 0 0 326.356 1.620 10 0 EDAERN Cc1csc([C@@H]2CN(S(=O)(=O)CC3CCOCC3)CCO2)n1 ZINC000193943074 442816528 /nfs/dbraw/zinc/81/65/28/442816528.db2.gz AQBLMOWMPWYUBY-ZDUSSCGKSA-N 0 0 346.474 1.581 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246843521 442817412 /nfs/dbraw/zinc/81/74/12/442817412.db2.gz BUIRAFYEJPHOPL-KBPBESRZSA-N 0 0 333.432 1.101 10 0 EDAERN O=C(c1cc(OCC(F)F)ccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000182781951 442824468 /nfs/dbraw/zinc/82/44/68/442824468.db2.gz IAZXUWUYIWVSBQ-LBPRGKRZSA-N 0 0 341.358 1.272 10 0 EDAERN COc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)sc1Br ZINC000188897905 442837734 /nfs/dbraw/zinc/83/77/34/442837734.db2.gz DJLJTXMOKPRQNH-ZETCQYMHSA-N 0 0 347.234 1.870 10 0 EDAERN Cc1csc([C@@H]2CN(C(=O)NCCCn3cccn3)CCO2)n1 ZINC000194063590 442839385 /nfs/dbraw/zinc/83/93/85/442839385.db2.gz IJOPKAOZWDFJDW-ZDUSSCGKSA-N 0 0 335.433 1.821 10 0 EDAERN CCCN1CCCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1=O ZINC000189025046 442862976 /nfs/dbraw/zinc/86/29/76/442862976.db2.gz NZFIQTMZYJOCGD-KRWDZBQOSA-N 0 0 339.480 1.644 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1 ZINC000194288291 442872458 /nfs/dbraw/zinc/87/24/58/442872458.db2.gz MYSHJPDQDBAHFD-AWEZNQCLSA-N 0 0 343.431 1.806 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)n(C)n1 ZINC000189098112 442877195 /nfs/dbraw/zinc/87/71/95/442877195.db2.gz TWYXMPXFMVMUTP-ZDUSSCGKSA-N 0 0 344.419 1.381 10 0 EDAERN CCCn1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)cn1 ZINC000183090715 442877886 /nfs/dbraw/zinc/87/78/86/442877886.db2.gz DTZUQQJMRSXYSW-UHFFFAOYSA-N 0 0 332.408 1.333 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000189113616 442879990 /nfs/dbraw/zinc/87/99/90/442879990.db2.gz CSCKKOPOZDVJGP-ARFHVFGLSA-N 0 0 344.415 1.969 10 0 EDAERN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189227397 442900608 /nfs/dbraw/zinc/90/06/08/442900608.db2.gz TYEYVWATWRQPLW-BFUOFWGJSA-N 0 0 330.428 1.668 10 0 EDAERN CC[C@H](CO)N1CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000179418867 318458413 /nfs/dbraw/zinc/45/84/13/318458413.db2.gz LBJKAJARNLZNHK-NVXWUHKLSA-N 0 0 341.496 1.088 10 0 EDAERN O[C@H](CN1CCN(C[C@@H](O)c2ccccc2)CC1)CC(F)(F)F ZINC000189157234 442888442 /nfs/dbraw/zinc/88/84/42/442888442.db2.gz ATWYNJSXEJBVQI-LSDHHAIUSA-N 0 0 332.366 1.651 10 0 EDAERN COC[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000194455350 442899490 /nfs/dbraw/zinc/89/94/90/442899490.db2.gz OSORNORYEXTMMD-UONOGXRCSA-N 0 0 349.822 1.933 10 0 EDAERN Cc1csc([C@@H]2CN(C(=O)NCCCc3cnn(C)c3)CCO2)n1 ZINC000194163750 442855559 /nfs/dbraw/zinc/85/55/59/442855559.db2.gz RRWSRQMULAQJKN-AWEZNQCLSA-N 0 0 349.460 1.901 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1c(F)cccc1Br ZINC000189244263 442904090 /nfs/dbraw/zinc/90/40/90/442904090.db2.gz QOKXHABAUOECQN-MRVPVSSYSA-N 0 0 329.169 1.939 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cnccn3)C[C@H]12 ZINC000183245965 442910436 /nfs/dbraw/zinc/91/04/36/442910436.db2.gz ZOUSAZXTIJWCRH-FRRDWIJNSA-N 0 0 332.404 1.852 10 0 EDAERN COc1cc(-c2noc(CN3CCCNC(=O)[C@H]3C)n2)ccc1C ZINC000189304314 442916399 /nfs/dbraw/zinc/91/63/99/442916399.db2.gz DWGKWXXJDUIZLZ-GFCCVEGCSA-N 0 0 330.388 1.764 10 0 EDAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194626010 442926630 /nfs/dbraw/zinc/92/66/30/442926630.db2.gz QCWUVAYCQSBWLQ-MRXNPFEDSA-N 0 0 336.480 1.535 10 0 EDAERN CC(C)n1nnnc1-c1ccc(N[C@@H](C)CS(C)(=O)=O)cc1F ZINC000183754117 318528595 /nfs/dbraw/zinc/52/85/95/318528595.db2.gz LMTAQNKZGANUPL-JTQLQIEISA-N 0 0 341.412 1.905 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@]1(O)C[C@H](OCC)C1(C)C ZINC000248876459 442932475 /nfs/dbraw/zinc/93/24/75/442932475.db2.gz CQUGRGQETKFQHZ-VKJFTORMSA-N 0 0 342.480 1.170 10 0 EDAERN O=C(CCC(=O)N1CC(NC(=O)C2CC2)C1)c1ccc(F)cc1F ZINC000189414696 442946505 /nfs/dbraw/zinc/94/65/05/442946505.db2.gz UZJNFCYVPIPBSM-UHFFFAOYSA-N 0 0 336.338 1.665 10 0 EDAERN C[C@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000189452549 442956802 /nfs/dbraw/zinc/95/68/02/442956802.db2.gz LLQAYXMEGGBPSB-ZFWWWQNUSA-N 0 0 341.415 1.264 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(C)ccc2C)n1 ZINC000183744087 442958595 /nfs/dbraw/zinc/95/85/95/442958595.db2.gz BXWIWNDJPJNMKC-ZDUSSCGKSA-N 0 0 337.401 1.757 10 0 EDAERN O=C(c1c[nH]c(=O)c2ccccc12)N1CCC[C@@H](Cn2cncn2)C1 ZINC000191726725 318574697 /nfs/dbraw/zinc/57/46/97/318574697.db2.gz MTEFWNFVEODRSH-CYBMUJFWSA-N 0 0 337.383 1.672 10 0 EDAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)NCC(=O)NCC1CC1 ZINC000183796436 442964581 /nfs/dbraw/zinc/96/45/81/442964581.db2.gz AGWKILUBBUAUJQ-INIZCTEOSA-N 0 0 344.459 1.953 10 0 EDAERN COCCc1ccccc1NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000189488947 442966666 /nfs/dbraw/zinc/96/66/66/442966666.db2.gz GWIRJUMVTJAZSW-OAHLLOKOSA-N 0 0 345.403 1.907 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)N(CC)CC2CC2)C[C@@H]1CC ZINC000183901754 442974001 /nfs/dbraw/zinc/97/40/01/442974001.db2.gz LGCZPNBVOKGQLR-INIZCTEOSA-N 0 0 347.525 1.396 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[C@H]1O ZINC000249507044 442978764 /nfs/dbraw/zinc/97/87/64/442978764.db2.gz LHEJEKBWMOTTJL-HZSPNIEDSA-N 0 0 326.437 1.863 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)CCc2cccs2)CCN1CCOC ZINC000189631475 442987268 /nfs/dbraw/zinc/98/72/68/442987268.db2.gz OWWDBHIGHJXAID-AWEZNQCLSA-N 0 0 346.518 1.663 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C[C@@H]1C ZINC000189658813 442990681 /nfs/dbraw/zinc/99/06/81/442990681.db2.gz IJJKBUCEVNOVNQ-LSDHHAIUSA-N 0 0 341.496 1.497 10 0 EDAERN CCNC(=O)CN(CC)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249100066 442952157 /nfs/dbraw/zinc/95/21/57/442952157.db2.gz BZLUPIRWFRFSGF-LRDDRELGSA-N 0 0 344.477 1.170 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000190012861 443048246 /nfs/dbraw/zinc/04/82/46/443048246.db2.gz QLBCSWXOMYQIRH-YOEHRIQHSA-N 0 0 345.443 1.828 10 0 EDAERN COC[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1ccncc1 ZINC000253411548 443059409 /nfs/dbraw/zinc/05/94/09/443059409.db2.gz OTZCZMWTTLHQBR-HOCLYGCPSA-N 0 0 327.384 1.993 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccccc2OC)CC1 ZINC000184720426 443065629 /nfs/dbraw/zinc/06/56/29/443065629.db2.gz WMSZHOOMCDSAGI-MRXNPFEDSA-N 0 0 335.448 1.336 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)NCc2ccc(C)c(F)c2)n1 ZINC000185078958 443131575 /nfs/dbraw/zinc/13/15/75/443131575.db2.gz PEQZSSJZLWQVLE-HNNXBMFYSA-N 0 0 348.378 1.515 10 0 EDAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H](C)C2)C12CCOCC2 ZINC000185146286 443148106 /nfs/dbraw/zinc/14/81/06/443148106.db2.gz LJAJMAKJRZNTIG-RRFJBIMHSA-N 0 0 346.493 1.527 10 0 EDAERN COCC(=O)NC1CN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000185089345 443134120 /nfs/dbraw/zinc/13/41/20/443134120.db2.gz DJIGJVKTNKXSEC-CYBMUJFWSA-N 0 0 332.322 1.186 10 0 EDAERN CCC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)OC(C)(C)C ZINC000184989302 443112727 /nfs/dbraw/zinc/11/27/27/443112727.db2.gz MWFNPPUXCUYVRV-CQSZACIVSA-N 0 0 345.403 1.903 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000184992838 443113912 /nfs/dbraw/zinc/11/39/12/443113912.db2.gz WZBKOTHZQIQMFU-CQSZACIVSA-N 0 0 331.420 1.956 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCCOc2ccc(C)cc2)CC1 ZINC000185017283 443119100 /nfs/dbraw/zinc/11/91/00/443119100.db2.gz QOCKPPNUQDUZEG-KRWDZBQOSA-N 0 0 349.475 1.862 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3C)CCO2)cn1 ZINC000190497458 443120854 /nfs/dbraw/zinc/12/08/54/443120854.db2.gz FYBBSJKWMABUEU-INIZCTEOSA-N 0 0 342.399 1.750 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ncoc2-c2ccc(C)cc2)C1 ZINC000185220722 443163978 /nfs/dbraw/zinc/16/39/78/443163978.db2.gz RFSYBJMNGUCWJN-UHFFFAOYSA-N 0 0 329.356 1.237 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000185241478 443168006 /nfs/dbraw/zinc/16/80/06/443168006.db2.gz IXULWDSZZXEHHR-UHFFFAOYSA-N 0 0 331.199 1.509 10 0 EDAERN CC(C)OCCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000185275807 443174145 /nfs/dbraw/zinc/17/41/45/443174145.db2.gz QXWMCRRRZGAXAP-CYBMUJFWSA-N 0 0 326.418 1.629 10 0 EDAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190754889 443176802 /nfs/dbraw/zinc/17/68/02/443176802.db2.gz HZTDGFMSKRLQNI-OAHLLOKOSA-N 0 0 340.383 1.448 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(C)nc3onc(C(C)C)c32)C1 ZINC000185288707 443176910 /nfs/dbraw/zinc/17/69/10/443176910.db2.gz VTLSPAPLWSMMFU-UHFFFAOYSA-N 0 0 346.387 1.242 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccncc2)[C@H]1[NH3+] ZINC000257354777 443156390 /nfs/dbraw/zinc/15/63/90/443156390.db2.gz ZTHPVXGQWCENKO-MGPQQGTHSA-N 0 0 335.404 1.546 10 0 EDAERN CCS(=O)(=O)NCCCN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000245527690 443234620 /nfs/dbraw/zinc/23/46/20/443234620.db2.gz WGQKGIATCKDMGV-IHRRRGAJSA-N 0 0 332.466 1.122 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3nnc(C)s3)CC2)cn1 ZINC000185435408 443199062 /nfs/dbraw/zinc/19/90/62/443199062.db2.gz GUWYZSRKKUHNHL-UHFFFAOYSA-N 0 0 334.449 1.411 10 0 EDAERN COc1ccc2c(c1)nc(CNC(=O)NCCn1cc(C)cn1)n2C ZINC000185735144 443247155 /nfs/dbraw/zinc/24/71/55/443247155.db2.gz ULVOFVYMHGETBO-UHFFFAOYSA-N 0 0 342.403 1.586 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000185742813 443248939 /nfs/dbraw/zinc/24/89/39/443248939.db2.gz VNLLKIYEFSMYOC-GFCCVEGCSA-N 0 0 335.385 1.560 10 0 EDAERN C[C@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000191170112 443251929 /nfs/dbraw/zinc/25/19/29/443251929.db2.gz IVSUSXWBEYNOGE-CABCVRRESA-N 0 0 344.459 1.353 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000191340617 443281131 /nfs/dbraw/zinc/28/11/31/443281131.db2.gz LEFFATUONDXDQB-UHFFFAOYSA-N 0 0 347.268 1.130 10 0 EDAERN Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000185981211 443293590 /nfs/dbraw/zinc/29/35/90/443293590.db2.gz MHMTVJSVKIWEDN-GFCCVEGCSA-N 0 0 325.415 1.488 10 0 EDAERN COCCC(C)(C)CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000185813698 443262841 /nfs/dbraw/zinc/26/28/41/443262841.db2.gz CIYOIKUCVIUGAB-GFCCVEGCSA-N 0 0 339.440 1.621 10 0 EDAERN O=C(NC1CC1)[C@H](O)C1CCN(Cc2nc3c(cccc3F)[nH]2)CC1 ZINC000299747211 444134247 /nfs/dbraw/zinc/13/42/47/444134247.db2.gz CJJRPRRYVLBRSM-QGZVFWFLSA-N 0 0 346.406 1.554 10 0 EDAERN CN(C)c1nccc([C@@H]2CN(C(=O)CC[C@@H]3CCCOC3)CCO2)n1 ZINC000328630400 444402958 /nfs/dbraw/zinc/40/29/58/444402958.db2.gz PUEQTMMODVGFKY-HOCLYGCPSA-N 0 0 348.447 1.649 10 0 EDAERN Cc1cc2c(ncnc2N2CCC[C@@H]2c2nc(C(N)=O)no2)s1 ZINC000328623782 444398594 /nfs/dbraw/zinc/39/85/94/444398594.db2.gz JNUWJKZHVUNKSR-SECBINFHSA-N 0 0 330.373 1.823 10 0 EDAERN CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCn3cnnc3C2)n1 ZINC000328625373 444399641 /nfs/dbraw/zinc/39/96/41/444399641.db2.gz DBWXDNVCXDZRAA-CJNGLKHVSA-N 0 0 343.435 1.704 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Nc2cnc(C)nc2C2CC2)C1 ZINC000581504213 322185884 /nfs/dbraw/zinc/18/58/84/322185884.db2.gz PRSDBUSUXZIUOL-YPMHNXCESA-N 0 0 343.391 1.774 10 0 EDAERN C[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1cccc(Br)c1 ZINC000399262159 447563819 /nfs/dbraw/zinc/56/38/19/447563819.db2.gz PEEVPYSYWLXHDL-GXSJLCMTSA-N 0 0 334.235 1.983 10 0 EDAERN C[C@H]1CC[C@@H](O)CN1CC(=O)Nc1ccc(Br)cn1 ZINC000399219532 447563894 /nfs/dbraw/zinc/56/38/94/447563894.db2.gz VXPMBIKQZHKMQV-GXSJLCMTSA-N 0 0 328.210 1.628 10 0 EDAERN CCc1c(S(N)(=O)=O)ccc(I)c1OC ZINC000575705621 447880742 /nfs/dbraw/zinc/88/07/42/447880742.db2.gz IXHZRWQREBZCCX-UHFFFAOYSA-N 0 0 341.170 1.510 10 0 EDAERN CCOC(=O)Cc1cc(N)c(I)c(OC)c1 ZINC000575724911 447882946 /nfs/dbraw/zinc/88/29/46/447882946.db2.gz NAJPYDNPBHXIFF-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617755 448445815 /nfs/dbraw/zinc/44/58/15/448445815.db2.gz OFFSETMJWVYNOU-INIZCTEOSA-N 0 0 334.807 1.901 10 0 EDAERN CC(C)n1cc([C@]2(O)CCN(C(=O)c3cccc4nccn43)C2)nn1 ZINC000583618738 448448534 /nfs/dbraw/zinc/44/85/34/448448534.db2.gz CNJRRFOPCDMYOW-KRWDZBQOSA-N 0 0 340.387 1.240 10 0 EDAERN O=C(c1cccn1C1CCCC1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583619051 448449559 /nfs/dbraw/zinc/44/95/59/448449559.db2.gz ZSKWQQXOLGIHRT-KRWDZBQOSA-N 0 0 329.404 1.845 10 0 EDAERN COC[C@@H]1C[C@H](OC)CN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000583619487 448449973 /nfs/dbraw/zinc/44/99/73/448449973.db2.gz PQTQILVASSXRCU-KBPBESRZSA-N 0 0 334.351 1.282 10 0 EDAERN Cc1[nH]c(=O)c(C(=O)NCC2CC2)cc1I ZINC000584632986 448587235 /nfs/dbraw/zinc/58/72/35/448587235.db2.gz UAHGARWHIGAVES-UHFFFAOYSA-N 0 0 332.141 1.840 10 0 EDAERN COc1cccc(-c2nc(N3CCOCC3)nc3c2cnn3C)c1 ZINC000584655631 448589844 /nfs/dbraw/zinc/58/98/44/448589844.db2.gz OFWKKKVXRAGDSM-UHFFFAOYSA-N 0 0 325.372 1.876 10 0 EDAERN c1nn2cc(OCCN3CCOCC3)cnc2c1-c1ccncc1 ZINC000585656108 448737326 /nfs/dbraw/zinc/73/73/26/448737326.db2.gz SKPURVAFZNRMLY-UHFFFAOYSA-N 0 0 325.372 1.502 10 0 EDAERN COc1ncccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 ZINC000618200329 450055421 /nfs/dbraw/zinc/05/54/21/450055421.db2.gz MBJNQMWFSFOLQY-BBRMVZONSA-N 0 0 340.383 1.435 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)COCc2nccn2C)C12CCOCC2 ZINC000613590890 450238818 /nfs/dbraw/zinc/23/88/18/450238818.db2.gz OCOUHWKSIWEWPC-ZIAGYGMSSA-N 0 0 337.420 1.027 10 0 EDAERN NS(=O)(=O)N1CC[C@@H](c2ccccc2CCO)c2ccccc21 ZINC000616586067 450453571 /nfs/dbraw/zinc/45/35/71/450453571.db2.gz DZPPMOWCEWWYKB-HNNXBMFYSA-N 0 0 332.425 1.767 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1ccc(N)nc1 ZINC000616598126 450454576 /nfs/dbraw/zinc/45/45/76/450454576.db2.gz OWBPPGJJPTXEFN-AWEZNQCLSA-N 0 0 336.436 1.952 10 0 EDAERN Nc1ccc([C@@H]2CCOCCN2S(=O)(=O)c2ccccc2)cn1 ZINC000616599024 450454666 /nfs/dbraw/zinc/45/46/66/450454666.db2.gz VQZQRLGSSHNWQH-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@H](c2cccc(CO)c2)C1 ZINC000616643826 450456740 /nfs/dbraw/zinc/45/67/40/450456740.db2.gz BJODPJZTTQYIIH-KRWDZBQOSA-N 0 0 333.409 1.941 10 0 EDAERN Nc1ncccc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 ZINC000616659419 450458523 /nfs/dbraw/zinc/45/85/23/450458523.db2.gz MSNPJMKDORCEBS-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@@H]1c1ccc2ccnnc2c1 ZINC000616683526 450459903 /nfs/dbraw/zinc/45/99/03/450459903.db2.gz RUJYOPNBIWWDAP-MRXNPFEDSA-N 0 0 341.396 1.807 10 0 EDAERN Cn1cc(O[C@@H]2CN(c3ncnc4cccc(F)c43)C[C@H]2O)cn1 ZINC000624422041 450844566 /nfs/dbraw/zinc/84/45/66/450844566.db2.gz ALGRAVYDRDTWKD-ZIAGYGMSSA-N 0 0 329.335 1.131 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cc(C4CC4)n(C)n3)C[C@@H](C)O2)n1 ZINC000628857444 451441072 /nfs/dbraw/zinc/44/10/72/451441072.db2.gz VTRTXYRSGZBHLC-YMTOWFKASA-N 0 0 331.376 1.591 10 0 EDAERN O=C(COc1ccc(Br)cc1)N[C@H]1CCOC[C@@H]1O ZINC000629218392 451599233 /nfs/dbraw/zinc/59/92/33/451599233.db2.gz MMRIVJBSQCLHQO-RYUDHWBXSA-N 0 0 330.178 1.094 10 0 EDAERN COC[C@@]1(C(N)=O)CCCN1C(=O)c1cnnc(-c2ccccc2)c1 ZINC000643938462 452832866 /nfs/dbraw/zinc/83/28/66/452832866.db2.gz QDDRSKJHKFRCJN-GOSISDBHSA-N 0 0 340.383 1.250 10 0 EDAERN Cc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)o1 ZINC000659998733 452907569 /nfs/dbraw/zinc/90/75/69/452907569.db2.gz KXSZDIKHHKTEAR-WCQYABFASA-N 0 0 325.390 1.378 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)c1cccc(Br)c1 ZINC000660179186 453107700 /nfs/dbraw/zinc/10/77/00/453107700.db2.gz MZLXGTOTJWCFMW-TVYUQYBPSA-N 0 0 348.262 1.912 10 0 EDAERN CCc1nnc([C@H](C)NC(=O)c2cn(C)nc2C2CCOCC2)[nH]1 ZINC000644413285 453425035 /nfs/dbraw/zinc/42/50/35/453425035.db2.gz QVLFRORLDNUSGA-JTQLQIEISA-N 0 0 332.408 1.486 10 0 EDAERN Cc1cc(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c(C)n1C(C)C ZINC000671605637 486664026 /nfs/dbraw/zinc/66/40/26/486664026.db2.gz HXSQQWGYBYQZCU-KRWDZBQOSA-N 0 0 331.420 1.555 10 0 EDAERN OC[C@H](Oc1c(Cl)nc(Cl)nc1N1CCOCC1)C1CC1 ZINC000216726742 485543122 /nfs/dbraw/zinc/54/31/22/485543122.db2.gz ICWVEZCBJLFDTF-VIFPVBQESA-N 0 0 334.203 1.770 10 0 EDAERN Cc1cc2[nH]c(C(=O)N3CC[C@](O)(Cn4ccnn4)C3)cc2c(C)c1 ZINC000671502343 486629991 /nfs/dbraw/zinc/62/99/91/486629991.db2.gz DDUMIKZKKDJKAN-GOSISDBHSA-N 0 0 339.399 1.653 10 0 EDAERN CCn1ncc(NC(=O)c2ccccc2)c(N2CCOCC2)c1=O ZINC000065307251 490997383 /nfs/dbraw/zinc/99/73/83/490997383.db2.gz YETMTTQDTBURLV-UHFFFAOYSA-N 0 0 328.372 1.352 10 0 EDAERN Cc1nn(C)cc1CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000121472802 490999323 /nfs/dbraw/zinc/99/93/23/490999323.db2.gz DTXOSRIPOBGONJ-UHFFFAOYSA-N 0 0 330.480 1.998 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000122834912 491001486 /nfs/dbraw/zinc/00/14/86/491001486.db2.gz KACZJSLPKDZQGF-CQSZACIVSA-N 0 0 330.388 1.338 10 0 EDAERN C[C@H](NC[C@H]1CN(C)CCO1)c1ncc(Br)cc1F ZINC000187321668 533908759 /nfs/dbraw/zinc/90/87/59/533908759.db2.gz TUNZRMBAWDDEFK-ONGXEEELSA-N 0 0 332.217 1.964 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000183745537 533962995 /nfs/dbraw/zinc/96/29/95/533962995.db2.gz GVEZGVCDVQXKSV-CYBMUJFWSA-N 0 0 332.381 1.935 10 0 EDAERN COc1ccc(N)c(S(=O)(=O)Cc2c(C)nn(C)c2Cl)c1 ZINC000167910763 533986358 /nfs/dbraw/zinc/98/63/58/533986358.db2.gz RIHVMSAQCHHZQE-UHFFFAOYSA-N 0 0 329.809 1.947 10 0 EDAERN C[C@@H]([C@@H](O)Cc1cc(F)ccc1Br)S(C)(=O)=O ZINC000169061876 534031390 /nfs/dbraw/zinc/03/13/90/534031390.db2.gz YALMMLCWVHDZKL-CPCISQLKSA-N 0 0 325.199 1.925 10 0 EDAERN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000173923055 534160828 /nfs/dbraw/zinc/16/08/28/534160828.db2.gz JBTRFERVCYETNR-ZBFHGGJFSA-N 0 0 335.423 1.868 10 0 EDAERN NC(=O)CONCc1cc(Br)c2c(c1)OCCCO2 ZINC000169145565 534332411 /nfs/dbraw/zinc/33/24/11/534332411.db2.gz NUBXLDPOYQONJJ-UHFFFAOYSA-N 0 0 331.166 1.117 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)C2)no1 ZINC000171235654 534408955 /nfs/dbraw/zinc/40/89/55/534408955.db2.gz ZYZKCVYIEPZJIH-WMLDXEAASA-N 0 0 348.447 1.806 10 0 EDAERN O=C(c1cccnc1Br)N1CCC[C@@H](n2cncn2)C1 ZINC000176568254 534754412 /nfs/dbraw/zinc/75/44/12/534754412.db2.gz KENGYVRIMHXZIV-SNVBAGLBSA-N 0 0 336.193 1.913 10 0 EDAERN C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)C[C@H](C)O1 ZINC000188644489 524811217 /nfs/dbraw/zinc/81/12/17/524811217.db2.gz KYGBDLMTEYVHCW-OKILXGFUSA-N 0 0 331.416 1.504 10 0 EDAERN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000175706791 526392894 /nfs/dbraw/zinc/39/28/94/526392894.db2.gz YJIAQWHHHCCXEC-CYBMUJFWSA-N 0 0 349.435 1.876 10 0 EDAERN CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1 ZINC000175008503 527179609 /nfs/dbraw/zinc/17/96/09/527179609.db2.gz BABKPYBGRIZHPL-CYBMUJFWSA-N 0 0 343.387 1.185 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(NC=O)cc2)C12CCOCC2 ZINC000186462072 527827663 /nfs/dbraw/zinc/82/76/63/527827663.db2.gz LSGMUDMLNQBWIS-HZPDHXFCSA-N 0 0 332.400 1.959 10 0 EDAERN CC(C)OCCS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000175123295 527993070 /nfs/dbraw/zinc/99/30/70/527993070.db2.gz KKGPRXYLFXJTTR-LBPRGKRZSA-N 0 0 330.454 1.061 10 0 EDAERN CCOc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)cc(Cl)c1O ZINC000186808491 528231339 /nfs/dbraw/zinc/23/13/39/528231339.db2.gz CZLHPJOPZWSYHB-SNVBAGLBSA-N 0 0 336.779 1.781 10 0 EDAERN CCN[C@H](c1cc2c(cc1Cl)NC(=O)C2)[C@H](C)S(C)(=O)=O ZINC000168249611 528424728 /nfs/dbraw/zinc/42/47/28/528424728.db2.gz FDOPULBFZHUEQZ-RTHLEPHNSA-N 0 0 330.837 1.918 10 0 EDAERN CCOc1ccc(Cl)cc1CCNC(=O)N1CC(NC(C)=O)C1 ZINC000190290329 528472072 /nfs/dbraw/zinc/47/20/72/528472072.db2.gz JHXAODZLCCBDOG-UHFFFAOYSA-N 0 0 339.823 1.811 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000184410782 528481076 /nfs/dbraw/zinc/48/10/76/528481076.db2.gz WFTHQGJNTXNSNW-INIZCTEOSA-N 0 0 347.463 1.380 10 0 EDAERN CCCCOc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154121018 528665344 /nfs/dbraw/zinc/66/53/44/528665344.db2.gz JJBRZKLGHMKKDL-INIZCTEOSA-N 0 0 336.432 1.288 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)C(=O)NCc1ccccc1 ZINC000176569382 528703415 /nfs/dbraw/zinc/70/34/15/528703415.db2.gz SBEVBEJODWAARW-SFDCACGMSA-N 0 0 335.433 1.208 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000176569094 528705038 /nfs/dbraw/zinc/70/50/38/528705038.db2.gz HAJONINAPFDZHL-WYVULQQZSA-N 0 0 339.396 1.669 10 0 EDAERN CCN1CCCN(C(=O)N[C@H](C)COCc2ccccc2)CC1=O ZINC000189803985 529031138 /nfs/dbraw/zinc/03/11/38/529031138.db2.gz ATHTUSBVGBDBBF-OAHLLOKOSA-N 0 0 333.432 1.856 10 0 EDAERN CC(C)CCc1noc(CS(=O)(=O)Cc2nnnn2C(C)C)n1 ZINC000195426744 534978773 /nfs/dbraw/zinc/97/87/73/534978773.db2.gz BQRZRSWRDAEOGS-UHFFFAOYSA-N 0 0 342.425 1.341 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000091044342 535015432 /nfs/dbraw/zinc/01/54/32/535015432.db2.gz JPFGSJRVNGXCDU-AWEZNQCLSA-N 0 0 336.417 1.879 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@@H](O)CC(C)(C)C)CC2 ZINC000181709819 535023876 /nfs/dbraw/zinc/02/38/76/535023876.db2.gz WDZVFWMSDRKOAC-STQMWFEESA-N 0 0 337.468 1.813 10 0 EDAERN CC(C)COC(=O)N1CCC(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000112662322 535174583 /nfs/dbraw/zinc/17/45/83/535174583.db2.gz OWHDOBXTFRVBNW-CQSZACIVSA-N 0 0 349.435 1.214 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000247017446 535601356 /nfs/dbraw/zinc/60/13/56/535601356.db2.gz HKYJFCZRMBTANG-WMZOPIPTSA-N 0 0 333.476 1.859 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)Nc2nccs2)C[C@@H]1C ZINC000247206533 535607482 /nfs/dbraw/zinc/60/74/82/535607482.db2.gz PJBBYEKCZHGGSR-QWHCGFSZSA-N 0 0 326.466 1.513 10 0 EDAERN CCN1CCN(C(=O)[C@H](C)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000195521410 535637730 /nfs/dbraw/zinc/63/77/30/535637730.db2.gz PBSNCGRQLVGHQX-KBPBESRZSA-N 0 0 338.477 1.069 10 0 EDAERN C[NH+](C)C1(CNS(=O)(=O)c2ccc(CC(=O)[O-])s2)CCC1 ZINC000097925577 536112837 /nfs/dbraw/zinc/11/28/37/536112837.db2.gz XFZAOILJYIHEGB-UHFFFAOYSA-N 0 0 332.447 1.138 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCNc1ccccc1)CC2 ZINC000114977618 536163249 /nfs/dbraw/zinc/16/32/49/536163249.db2.gz ZXMPYIUCKMUAGA-OAHLLOKOSA-N 0 0 342.447 1.957 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCCOCC(F)F)[C@@H]1c1ccccc1 ZINC000191382426 536308984 /nfs/dbraw/zinc/30/89/84/536308984.db2.gz SMDIAJFFQXGTPX-BBRMVZONSA-N 0 0 340.370 1.994 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cnn(Cc2ccc(OC)cc2)c1)C(C)C ZINC000178726111 536381877 /nfs/dbraw/zinc/38/18/77/536381877.db2.gz CIHAGUQOZHXAHX-MRXNPFEDSA-N 0 0 344.415 1.440 10 0 EDAERN CN[C@H](C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1cnn(C)c1 ZINC000262235712 536385415 /nfs/dbraw/zinc/38/54/15/536385415.db2.gz QWNSHRCKQQGZKK-SJCJKPOMSA-N 0 0 346.431 1.884 10 0 EDAERN COc1ccc(C(C)(C)CNC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000057636627 536784916 /nfs/dbraw/zinc/78/49/16/536784916.db2.gz YWKCAXIVFWVIMT-OAHLLOKOSA-N 0 0 349.475 1.993 10 0 EDAERN COCC1(S(=O)(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000333276923 536830844 /nfs/dbraw/zinc/83/08/44/536830844.db2.gz DMHPZFMKKNOERP-UHFFFAOYSA-N 0 0 339.461 1.457 10 0 EDAERN COc1cccc(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 ZINC000328706773 537101569 /nfs/dbraw/zinc/10/15/69/537101569.db2.gz ALCNJBBYAQJBEQ-XJKSGUPXSA-N 0 0 343.427 1.635 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])cc1 ZINC000757193135 579965546 /nfs/dbraw/zinc/96/55/46/579965546.db2.gz WJDUTZMVMKLRKB-UONOGXRCSA-N 0 0 326.418 1.105 10 0 EDAERN COc1ccc(CCC(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1F ZINC000888077254 590932090 /nfs/dbraw/zinc/93/20/90/590932090.db2.gz WUCUEYBQQHUKEZ-JJRVBVJISA-N 0 0 333.363 1.454 10 0 EDAERN Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)n1 ZINC000888094593 591024485 /nfs/dbraw/zinc/02/44/85/591024485.db2.gz DZHFTTIVMICXGW-CHWSQXEVSA-N 0 0 329.404 1.755 10 0 EDAERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095564 591025160 /nfs/dbraw/zinc/02/51/60/591025160.db2.gz QQOQDDZVYJGGMQ-ZENOOKHLSA-N 0 0 347.415 1.492 10 0 EDAERN Cc1cc[nH]c1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888095348 591026149 /nfs/dbraw/zinc/02/61/49/591026149.db2.gz WRXVXGPZRGVFEH-CHWSQXEVSA-N 0 0 331.420 1.287 10 0 EDAERN O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CCCC(F)(F)CC1 ZINC000888095589 591026630 /nfs/dbraw/zinc/02/66/30/591026630.db2.gz SEDSMXHLMLEISE-NSHDSACASA-N 0 0 329.347 1.503 10 0 EDAERN CCc1ccc(C(=O)N2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)o1 ZINC000888098416 591028765 /nfs/dbraw/zinc/02/87/65/591028765.db2.gz KULDRIZWFUSRCT-LLVKDONJSA-N 0 0 344.371 1.374 10 0 EDAERN CN1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H]2Cn2cccn2)n[nH]1 ZINC000896200358 591381927 /nfs/dbraw/zinc/38/19/27/591381927.db2.gz CBFQSQZZZFAJNR-XJKSGUPXSA-N 0 0 328.420 1.678 10 0 EDAERN Cn1ccc(C(=O)N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c1 ZINC000818493165 593700968 /nfs/dbraw/zinc/70/09/68/593700968.db2.gz IACAZLNBFUIUMT-KRWDZBQOSA-N 0 0 330.388 1.495 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn(C3CC3)c2)cn1 ZINC000862052883 596194010 /nfs/dbraw/zinc/19/40/10/596194010.db2.gz DSTOUYDUZASIRJ-LSDHHAIUSA-N 0 0 331.376 1.011 10 0 EDAERN Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccc(F)c3F)C2)n[nH]1 ZINC000857344220 596217596 /nfs/dbraw/zinc/21/75/96/596217596.db2.gz BROMGJDEXVPPIW-OPQQBVKSSA-N 0 0 336.342 1.676 10 0 EDAERN Cc1cc(C)c(C(=O)N2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)o1 ZINC000864680177 596305824 /nfs/dbraw/zinc/30/58/24/596305824.db2.gz IWGCPJQIJBSUEN-GFCCVEGCSA-N 0 0 344.371 1.428 10 0 EDAERN CN(C)c1nc([C@H]2CCN(C(=O)c3cnn(C4CC4)c3)C2)cc(=O)[nH]1 ZINC000864833832 596376628 /nfs/dbraw/zinc/37/66/28/596376628.db2.gz BUXJNWWYXNWWHP-NSHDSACASA-N 0 0 342.403 1.409 10 0 EDAERN CCc1[nH]ccc1C(=O)N1CC[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864836321 596378269 /nfs/dbraw/zinc/37/82/69/596378269.db2.gz VBLGWUSXRGZFES-LLVKDONJSA-N 0 0 329.404 1.768 10 0 EDAERN CCn1c2ccccc2n(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1=S ZINC000120259986 596387384 /nfs/dbraw/zinc/38/73/84/596387384.db2.gz ZCGICFOLKDMQQF-RISCZKNCSA-N 0 0 334.445 1.724 10 0 EDAERN CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119537370 596629195 /nfs/dbraw/zinc/62/91/95/596629195.db2.gz NVHSUNPVIGOQGG-ZDUSSCGKSA-N 0 0 335.422 1.167 10 0 EDAERN COC[C@H](C)C(=O)OCCN1CCN(Cc2ccsc2)CC1 ZINC000175188269 697686244 /nfs/dbraw/zinc/68/62/44/697686244.db2.gz RVINSOOUOQRZBW-AWEZNQCLSA-N 0 0 326.462 1.691 10 0 EDAERN CN(C)S(=O)(=O)CCCOC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000184795545 698263907 /nfs/dbraw/zinc/26/39/07/698263907.db2.gz LMNLSPGCBBQPND-NEPJUHHUSA-N 0 0 347.383 1.893 10 0 EDAERN C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC000182666158 700962557 /nfs/dbraw/zinc/96/25/57/700962557.db2.gz VXBWUSHJCFDOIX-IJLUTSLNSA-N 0 0 330.450 1.031 10 0 EDAERN C=C(C)CN(C)C(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000183057306 701454143 /nfs/dbraw/zinc/45/41/43/701454143.db2.gz WRMKFQDWFHRVTB-HNNXBMFYSA-N 0 0 349.456 1.784 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000084638193 704934539 /nfs/dbraw/zinc/93/45/39/704934539.db2.gz GPHYTHMFDNWIHU-IMTBSYHQSA-N 0 0 333.207 1.235 10 0 EDAERN COC[C@@]1(C)NC(=O)N(CN2CCC[C@H]2c2csc(C)n2)C1=O ZINC000186851364 707189523 /nfs/dbraw/zinc/18/95/23/707189523.db2.gz FXXAREWXALEOON-SWLSCSKDSA-N 0 0 338.433 1.503 10 0 EDAERN NS(=O)(=O)c1ccc(OCCOCC(F)(F)F)c(F)c1F ZINC000062615245 214725843 /nfs/dbraw/zinc/72/58/43/214725843.db2.gz UHPMSBSVIJAGBS-UHFFFAOYSA-N 0 0 335.250 1.570 10 0 EDAERN NS(=O)(=O)c1ccc(NCc2cncnc2)c(Br)c1 ZINC000054767809 214254243 /nfs/dbraw/zinc/25/42/43/214254243.db2.gz VYXCJRCVIWQODM-UHFFFAOYSA-N 0 0 343.206 1.499 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCCC3(C)C)C2=O)n(C)n1 ZINC000173557996 230970466 /nfs/dbraw/zinc/97/04/66/230970466.db2.gz SPKIMSSCBVVLIT-CYBMUJFWSA-N 0 0 333.436 1.808 10 0 EDAERN O=C(Nc1ccc(-n2cccn2)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173799034 231037913 /nfs/dbraw/zinc/03/79/13/231037913.db2.gz BPIWNLHQJWPDPR-OAHLLOKOSA-N 0 0 342.403 1.206 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(C(=O)OC)CC1 ZINC000187943746 529400438 /nfs/dbraw/zinc/40/04/38/529400438.db2.gz KOYJFSYQEXXZIL-UKRRQHHQSA-N 0 0 346.427 1.901 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccc(F)cc1F ZINC000173995992 231093247 /nfs/dbraw/zinc/09/32/47/231093247.db2.gz FNUSUELLRKATHQ-ZDUSSCGKSA-N 0 0 325.359 1.310 10 0 EDAERN Cc1ccccc1NC(=S)NC(=O)CCN1C(=O)CSC1=O ZINC000006968975 201708129 /nfs/dbraw/zinc/70/81/29/201708129.db2.gz GEYLIHGAVOIDFW-UHFFFAOYSA-N 0 0 337.426 1.894 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)s1 ZINC000190643298 529657501 /nfs/dbraw/zinc/65/75/01/529657501.db2.gz AOWWKZWMUSZOJF-MEDUHNTESA-N 0 0 337.445 1.798 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)c2nc(C)cs2)CC1 ZINC000186813470 529698407 /nfs/dbraw/zinc/69/84/07/529698407.db2.gz LAWKLMBJHMKWPE-JSGCOSHPSA-N 0 0 340.493 1.653 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccncn2)CC1 ZINC000194189994 282259250 /nfs/dbraw/zinc/25/92/50/282259250.db2.gz BZCNIRJTKKIOLA-UHFFFAOYSA-N 0 0 329.408 1.177 10 0 EDAERN NC(=S)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000061886956 214682688 /nfs/dbraw/zinc/68/26/88/214682688.db2.gz MUSQUXAOKGOIOP-HTQZYQBOSA-N 0 0 342.471 1.424 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000190131401 529757855 /nfs/dbraw/zinc/75/78/55/529757855.db2.gz CKLWTFNNCLJRQC-ZDUSSCGKSA-N 0 0 328.376 1.454 10 0 EDAERN CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1N ZINC000165767931 529854776 /nfs/dbraw/zinc/85/47/76/529854776.db2.gz ZCFXXAYZRIHCBB-UHFFFAOYSA-N 0 0 335.223 1.331 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCCF)C(C)C)c1 ZINC000153959394 539385678 /nfs/dbraw/zinc/38/56/78/539385678.db2.gz XKHSPLVSOQCLLO-OAHLLOKOSA-N 0 0 340.395 1.934 10 0 EDAERN Cn1ncc(Br)c1Cn1cc(Br)c(N)n1 ZINC000725249734 539386008 /nfs/dbraw/zinc/38/60/08/539386008.db2.gz DNDDWMDNBVANLL-UHFFFAOYSA-N 0 0 335.003 1.772 10 0 EDAERN Cc1nc(Br)c(Br)n1[C@H](C)[C@H]([NH3+])C(=O)[O-] ZINC000725255868 539392524 /nfs/dbraw/zinc/39/25/24/539392524.db2.gz FGHJWAKIOKRANC-WUJLRWPWSA-N 0 0 341.003 1.689 10 0 EDAERN CCc1nc(Br)c(Br)n1C[C@@H]([NH3+])C(=O)[O-] ZINC000725255832 539392553 /nfs/dbraw/zinc/39/25/53/539392553.db2.gz CLDCABXAOZTCDF-SCSAIBSYSA-N 0 0 341.003 1.382 10 0 EDAERN Cc1nc(Br)c(Br)n1C[C@](C)([NH3+])C(=O)[O-] ZINC000725255829 539392618 /nfs/dbraw/zinc/39/26/18/539392618.db2.gz CDQZGRXBVHFDNV-QMMMGPOBSA-N 0 0 341.003 1.519 10 0 EDAERN CC(C)NS(=O)(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000725273318 539402958 /nfs/dbraw/zinc/40/29/58/539402958.db2.gz UUGCROSZHHPOGD-UHFFFAOYSA-N 0 0 344.437 1.321 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cccc(N(C)C)n2)C[C@@H]1N1CCOCC1 ZINC000153022883 290729254 /nfs/dbraw/zinc/72/92/54/290729254.db2.gz DTQPKDOMPIYADQ-KBPBESRZSA-N 0 0 333.436 1.332 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H](CO)C1 ZINC000036226769 201777463 /nfs/dbraw/zinc/77/74/63/201777463.db2.gz DEDGKAAEJNTABU-VIFPVBQESA-N 0 0 349.250 1.424 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1CCOC(=O)C12CCCCC2 ZINC000012194319 201830609 /nfs/dbraw/zinc/83/06/09/201830609.db2.gz XSJSITRQPUFJMP-UHFFFAOYSA-N 0 0 328.390 1.542 10 0 EDAERN COc1ccc(NC(=O)c2csc(C)n2)cc1S(N)(=O)=O ZINC000066307126 215032605 /nfs/dbraw/zinc/03/26/05/215032605.db2.gz SYZCOUQBVMLUKK-UHFFFAOYSA-N 0 0 327.387 1.360 10 0 EDAERN C[C@@H](NC(=O)c1cn(CCNC(=O)C(C)(C)C)nn1)c1cccs1 ZINC000014969347 201946626 /nfs/dbraw/zinc/94/66/26/201946626.db2.gz SBBMEYSKTGBDJY-LLVKDONJSA-N 0 0 349.460 1.993 10 0 EDAERN C[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OCc1ccccc1 ZINC000669380817 539742167 /nfs/dbraw/zinc/74/21/67/539742167.db2.gz QJMARQJTLFRXFO-CQSZACIVSA-N 0 0 334.372 1.531 10 0 EDAERN O=C1Cc2cc(S(=O)(=O)NCC3(CO)CCCCC3)ccc2N1 ZINC000040635951 213362317 /nfs/dbraw/zinc/36/23/17/213362317.db2.gz VQXQCFLIJAYVTL-UHFFFAOYSA-N 0 0 338.429 1.402 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173359014 291009129 /nfs/dbraw/zinc/00/91/29/291009129.db2.gz FWEGZIOOQLYXGP-CYBMUJFWSA-N 0 0 344.433 1.855 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000172983227 291014049 /nfs/dbraw/zinc/01/40/49/291014049.db2.gz UMDZEPOONHEMQN-VHSXEESVSA-N 0 0 346.371 1.437 10 0 EDAERN Nc1nc(Br)n(Cc2cncc(Br)c2)n1 ZINC000231803085 540110056 /nfs/dbraw/zinc/11/00/56/540110056.db2.gz UEBYFWQCHJVNFV-UHFFFAOYSA-N 0 0 332.987 1.829 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)c2ccnc(C)n2)N2CCOCC2)s1 ZINC000176548611 540100994 /nfs/dbraw/zinc/10/09/94/540100994.db2.gz USEDWVGHDWKXRY-OAHLLOKOSA-N 0 0 346.456 1.958 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccs1 ZINC000180756019 540122382 /nfs/dbraw/zinc/12/23/82/540122382.db2.gz URXGDQUFHCMTCJ-SDDRHHMPSA-N 0 0 325.434 1.744 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H](C)C2 ZINC000182185851 540130674 /nfs/dbraw/zinc/13/06/74/540130674.db2.gz UQEYDVGTXLKUIR-VBNZEHGJSA-N 0 0 336.457 1.769 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000184394811 235386902 /nfs/dbraw/zinc/38/69/02/235386902.db2.gz GEMKZNUIMOZREB-GFCCVEGCSA-N 0 0 340.391 1.752 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)CSCC(=O)N1CCOCC1 ZINC000042162248 138106652 /nfs/dbraw/zinc/10/66/52/138106652.db2.gz KMDWRFGQKJBFFK-AWEZNQCLSA-N 0 0 336.457 1.764 10 0 EDAERN C[C@H](CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1)N1CCOCC1 ZINC000047639816 138122908 /nfs/dbraw/zinc/12/29/08/138122908.db2.gz PXBWJVOFRQTVRG-ZIAGYGMSSA-N 0 0 334.420 1.034 10 0 EDAERN Cc1cc2c(cc1S(=O)(=O)NCc1cccs1)OCC(=O)N2 ZINC000020491696 202044895 /nfs/dbraw/zinc/04/48/95/202044895.db2.gz DTTSQFHESSZFGW-UHFFFAOYSA-N 0 0 338.410 1.866 10 0 EDAERN CCCCNS(=O)(=O)c1cccc(C(=O)NCCCOCC)c1 ZINC000020631637 202051316 /nfs/dbraw/zinc/05/13/16/202051316.db2.gz YWEGOHLCXBMUPG-UHFFFAOYSA-N 0 0 342.461 1.921 10 0 EDAERN O[C@@H](CNc1cc(Br)ccc1F)CN1CCOCC1 ZINC000037891753 202052718 /nfs/dbraw/zinc/05/27/18/202052718.db2.gz GYOJKKPGKZUKIR-NSHDSACASA-N 0 0 333.201 1.693 10 0 EDAERN NNc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1N ZINC000020922813 202058341 /nfs/dbraw/zinc/05/83/41/202058341.db2.gz JKNMYGKDJXBLOU-UHFFFAOYSA-N 0 0 338.784 1.273 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(N)=S)c2)C[C@H](C)O1 ZINC000038005165 202080948 /nfs/dbraw/zinc/08/09/48/202080948.db2.gz ANARTTNZLGPOIW-PHIMTYICSA-N 0 0 328.459 1.260 10 0 EDAERN CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc(Cl)nc1 ZINC000037979759 202076037 /nfs/dbraw/zinc/07/60/37/202076037.db2.gz LIQAFTZJOMRZJH-UHFFFAOYSA-N 0 0 327.797 1.093 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000091785947 138284979 /nfs/dbraw/zinc/28/49/79/138284979.db2.gz AMFLAJVFTNCKAX-OAHLLOKOSA-N 0 0 346.358 1.731 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(-c2ccccc2F)n1 ZINC000091783073 138285044 /nfs/dbraw/zinc/28/50/44/138285044.db2.gz WHXLVUZSFRMFNZ-LBPRGKRZSA-N 0 0 335.360 1.276 10 0 EDAERN CCCCOc1cccc(CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104783972 138300533 /nfs/dbraw/zinc/30/05/33/138300533.db2.gz DIIJKTITPITCNP-KRWDZBQOSA-N 0 0 335.448 1.995 10 0 EDAERN OC[C@@H](O)CSCc1cc2c(cc1Br)OCCO2 ZINC000093958713 138295152 /nfs/dbraw/zinc/29/51/52/138295152.db2.gz GIXUTYCNECEIOH-SECBINFHSA-N 0 0 335.219 1.807 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC(c3cc[nH]n3)CC2)no1 ZINC000111212573 138307841 /nfs/dbraw/zinc/30/78/41/138307841.db2.gz HHVJOTSQDXTBDM-UHFFFAOYSA-N 0 0 333.392 1.668 10 0 EDAERN C[C@H](CC(=O)N[C@H]1CCc2ncnn2C1)NC(=O)C1CCCCC1 ZINC000112646660 138309302 /nfs/dbraw/zinc/30/93/02/138309302.db2.gz NJUBEZIMTCLNOV-OCCSQVGLSA-N 0 0 333.436 1.184 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121611684 138317600 /nfs/dbraw/zinc/31/76/00/138317600.db2.gz PKRJXFMKQHMOOX-HOCLYGCPSA-N 0 0 331.478 1.745 10 0 EDAERN CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(F)c(F)c2)C1=O ZINC000123648315 138320333 /nfs/dbraw/zinc/32/03/33/138320333.db2.gz RFYFXTPDEHJNRN-FVMDXXJSSA-N 0 0 339.342 1.863 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCO[C@H]1CCOC1 ZINC000123968665 138322582 /nfs/dbraw/zinc/32/25/82/138322582.db2.gz YJQPMRJOIDLCGH-QWHCGFSZSA-N 0 0 337.424 1.170 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CO)CC(C)(C)C ZINC000130196118 138340385 /nfs/dbraw/zinc/34/03/85/138340385.db2.gz ZIVLADDGNBLULW-RYUDHWBXSA-N 0 0 339.440 1.356 10 0 EDAERN C[C@H](NC(=O)CNC(=O)NC1CCCCC1)c1nnc2n1CCCC2 ZINC000134050056 138401686 /nfs/dbraw/zinc/40/16/86/138401686.db2.gz LZINETPRBYPMLP-LBPRGKRZSA-N 0 0 348.451 1.424 10 0 EDAERN C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nnc2n1CCCC2 ZINC000135314881 138422471 /nfs/dbraw/zinc/42/24/71/138422471.db2.gz OSVYKCDYOIDNGR-NSHDSACASA-N 0 0 328.372 1.763 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000136592350 138432844 /nfs/dbraw/zinc/43/28/44/138432844.db2.gz CBGZMJGAWSGGRZ-LLVKDONJSA-N 0 0 325.438 1.201 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)cs1 ZINC000187075474 236110602 /nfs/dbraw/zinc/11/06/02/236110602.db2.gz MREPDWQBAVQZDQ-UHFFFAOYSA-N 0 0 337.474 1.811 10 0 EDAERN Cc1coc2ccc(NC(=O)C(=O)NC[C@H](C)N3CCOCC3)cc12 ZINC000187325555 236179239 /nfs/dbraw/zinc/17/92/39/236179239.db2.gz LVOPEBBZDSTKGQ-ZDUSSCGKSA-N 0 0 345.399 1.517 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187337892 236182187 /nfs/dbraw/zinc/18/21/87/236182187.db2.gz HDPCMLJJERFXEV-CYBMUJFWSA-N 0 0 331.416 1.512 10 0 EDAERN Cc1ccc(Cl)c(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187933207 236348213 /nfs/dbraw/zinc/34/82/13/236348213.db2.gz DOXWAAPOWVGJKO-UHFFFAOYSA-N 0 0 328.821 1.548 10 0 EDAERN Cc1ccc(Cl)c(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187978784 236367870 /nfs/dbraw/zinc/36/78/70/236367870.db2.gz UMWLDQCDSXKYLK-UHFFFAOYSA-N 0 0 335.791 1.324 10 0 EDAERN O=C(NC1CN(C[C@@H](O)c2cccc(Br)c2)C1)C1CC1 ZINC000187976630 236365528 /nfs/dbraw/zinc/36/55/28/236365528.db2.gz WBIBGILAXFCNFI-CQSZACIVSA-N 0 0 339.233 1.693 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1F ZINC000188022911 236389686 /nfs/dbraw/zinc/38/96/86/236389686.db2.gz NOKBBIDBVDYHAW-UHFFFAOYSA-N 0 0 333.363 1.200 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Cl)nc3)CC2)no1 ZINC000171759227 138660876 /nfs/dbraw/zinc/66/08/76/138660876.db2.gz CIKNJNUCVJDKBX-UHFFFAOYSA-N 0 0 335.795 1.775 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173466525 138670783 /nfs/dbraw/zinc/67/07/83/138670783.db2.gz YZSYFIDIHRQEPR-GFCCVEGCSA-N 0 0 345.490 1.775 10 0 EDAERN COCCOCc1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000173694608 138673480 /nfs/dbraw/zinc/67/34/80/138673480.db2.gz IMLVHVIYQNUGTE-AWEZNQCLSA-N 0 0 348.378 1.325 10 0 EDAERN CCc1nc(C2(NC(=O)[C@H](C)NC(=O)c3ccco3)CCCC2)no1 ZINC000175796702 138700254 /nfs/dbraw/zinc/70/02/54/138700254.db2.gz KIJNOYDKJSQRFI-NSHDSACASA-N 0 0 346.387 1.929 10 0 EDAERN O=C(/C=C/c1cncc(O)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000179504647 138753361 /nfs/dbraw/zinc/75/33/61/138753361.db2.gz KPTZIDBHTSJODO-VBROQKIQSA-N 0 0 325.372 1.376 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000181566688 138769673 /nfs/dbraw/zinc/76/96/73/138769673.db2.gz JUWBKJDQXAIIQB-ZYHUDNBSSA-N 0 0 328.324 1.158 10 0 EDAERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173862945 237267011 /nfs/dbraw/zinc/26/70/11/237267011.db2.gz SJSWNIZQWUGIBX-BZSNNMDCSA-N 0 0 329.444 1.906 10 0 EDAERN COc1ccc2cc(C(=O)NCCCN3CCOCC3)c(=O)oc2c1 ZINC000033809464 202269665 /nfs/dbraw/zinc/26/96/65/202269665.db2.gz QHZMQWBZWJJWPI-UHFFFAOYSA-N 0 0 346.383 1.254 10 0 EDAERN CS(=O)(=O)c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CO)cc1 ZINC000034361325 202272163 /nfs/dbraw/zinc/27/21/63/202272163.db2.gz BOCXPQQPWOKDFW-HZPDHXFCSA-N 0 0 331.393 1.969 10 0 in-vitro EDAERN Cc1nc(N)sc1S(=O)(=O)N1CCN(C2CCCC2)CC1 ZINC000069366789 202274667 /nfs/dbraw/zinc/27/46/67/202274667.db2.gz WYNMJZFWQHXRNG-UHFFFAOYSA-N 0 0 330.479 1.283 10 0 EDAERN Cn1cnc(N)c1S(=O)(=O)NCc1ccc(Br)cc1 ZINC000070085187 202306386 /nfs/dbraw/zinc/30/63/86/202306386.db2.gz XXDFXHDMCDVKJR-UHFFFAOYSA-N 0 0 345.222 1.243 10 0 EDAERN CCCS(=O)(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000036091033 202314956 /nfs/dbraw/zinc/31/49/56/202314956.db2.gz SMGNBOQHIQOJHZ-ZDUSSCGKSA-N 0 0 330.450 1.636 10 0 EDAERN COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)cc1 ZINC000036106918 202316695 /nfs/dbraw/zinc/31/66/95/202316695.db2.gz PXLUUJZFLUVCJZ-KRWDZBQOSA-N 0 0 347.459 1.614 10 0 EDAERN C[C@@H](O)c1csc(NC(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC000070211110 202319163 /nfs/dbraw/zinc/31/91/63/202319163.db2.gz KSVGDHDMVMBLLR-MRVPVSSYSA-N 0 0 326.399 1.852 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N1CCCC[C@H]1CO ZINC000070431528 202334556 /nfs/dbraw/zinc/33/45/56/202334556.db2.gz QXZDOTLWYGYBRJ-LBPRGKRZSA-N 0 0 328.459 1.165 10 0 EDAERN CCS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)c(C)c1Cl ZINC000037011271 202335371 /nfs/dbraw/zinc/33/53/71/202335371.db2.gz WSRCPTBZJWYNOU-UHFFFAOYSA-N 0 0 347.245 1.711 10 0 EDAERN CC(C)[NH2+][C@H](CCn1cc(I)cn1)C(=O)[O-] ZINC000070678687 202338070 /nfs/dbraw/zinc/33/80/70/202338070.db2.gz ZWJVNYHBPZDUBQ-SECBINFHSA-N 0 0 337.161 1.329 10 0 EDAERN CONS(=O)(=O)c1cc(C(=O)OC)sc1Br ZINC000070284865 202328845 /nfs/dbraw/zinc/32/88/45/202328845.db2.gz NODPCYCNQPAENP-UHFFFAOYSA-N 0 0 330.181 1.137 10 0 EDAERN O=S(=O)(N[C@@H]1CN2CCC1CC2)c1ccccc1Br ZINC000037382740 202339734 /nfs/dbraw/zinc/33/97/34/202339734.db2.gz JYWDMZDYVXWZGG-GFCCVEGCSA-N 0 0 345.262 1.822 10 0 EDAERN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)sc1C(=O)[O-] ZINC000071188826 202341156 /nfs/dbraw/zinc/34/11/56/202341156.db2.gz BGDIAFOOUWILIO-SNVBAGLBSA-N 0 0 332.447 1.327 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)CCO1 ZINC000071246542 202342302 /nfs/dbraw/zinc/34/23/02/202342302.db2.gz CLXBUSFEVHADEA-VIFPVBQESA-N 0 0 332.422 1.259 10 0 EDAERN O=C1NCCN[C@@H]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000071298278 202344277 /nfs/dbraw/zinc/34/42/77/202344277.db2.gz IGIGJEPANQNUAI-ZCFIWIBFSA-N 0 0 343.206 1.191 10 0 EDAERN Nc1ncn(CC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000038038652 202388603 /nfs/dbraw/zinc/38/86/03/202388603.db2.gz ZSEFGBIBVBWPSK-UHFFFAOYSA-N 0 0 330.573 1.915 10 0 EDAERN COc1ccc([C@@H]([NH2+]CCN(C)C)C(=O)[O-])cc1Br ZINC000038052483 202390065 /nfs/dbraw/zinc/39/00/65/202390065.db2.gz FXXKVEQPMFNVGT-GFCCVEGCSA-N 0 0 331.210 1.735 10 0 EDAERN CCC(=O)N1CCc2ccc(NC(=O)c3cn(C)nc3OC)cc2C1 ZINC000038678145 202404730 /nfs/dbraw/zinc/40/47/30/202404730.db2.gz VUYVBAGSMLNSBZ-UHFFFAOYSA-N 0 0 342.399 1.976 10 0 EDAERN O=C1CN(S(=O)(=O)C2CCCC2)C[C@H]2c3ccccc3CCN12 ZINC000040679412 202459080 /nfs/dbraw/zinc/45/90/80/202459080.db2.gz MCTFCLLUWZGUAQ-INIZCTEOSA-N 0 0 334.441 1.700 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(O)(c2ccccc2)CC1 ZINC000184961498 138799433 /nfs/dbraw/zinc/79/94/33/138799433.db2.gz KFPINWJSRKTFGM-OAHLLOKOSA-N 0 0 341.415 1.286 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1csc(NC(C)=O)n1)CC2 ZINC000114867212 201071795 /nfs/dbraw/zinc/07/17/95/201071795.db2.gz RDYVWUXSDNZLEK-SECBINFHSA-N 0 0 334.405 1.000 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)CCc2cnn(C)c2C)C12CCOCC2 ZINC000187146875 138823532 /nfs/dbraw/zinc/82/35/32/138823532.db2.gz IHRUTIVGSDIJAI-HZPDHXFCSA-N 0 0 335.448 1.752 10 0 EDAERN O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccccc1F ZINC000006625689 201056576 /nfs/dbraw/zinc/05/65/76/201056576.db2.gz JLWABFIPJFXVIH-OAHLLOKOSA-N 0 0 341.342 1.927 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187194189 138824133 /nfs/dbraw/zinc/82/41/33/138824133.db2.gz IJMAYRWMPYABBU-NWDGAFQWSA-N 0 0 337.424 1.516 10 0 EDAERN CCCC(O)(CCC)CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000119072178 201078943 /nfs/dbraw/zinc/07/89/43/201078943.db2.gz XGELHKHEFYMEGB-CVEARBPZSA-N 0 0 326.481 1.887 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000119587855 201079941 /nfs/dbraw/zinc/07/99/41/201079941.db2.gz NSHPEZLEAQHWKP-AWEZNQCLSA-N 0 0 341.415 1.780 10 0 EDAERN Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1-n1cnnn1 ZINC000046379039 201105641 /nfs/dbraw/zinc/10/56/41/201105641.db2.gz ZUEGUAVQDARZQU-LLVKDONJSA-N 0 0 340.343 1.321 10 0 EDAERN O=C(NCCCN1CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000136209815 201132210 /nfs/dbraw/zinc/13/22/10/201132210.db2.gz ZMNZIHIXJPZNBC-DOTOQJQBSA-N 0 0 325.453 1.045 10 0 EDAERN COc1ccc(O)c(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000137123751 201135925 /nfs/dbraw/zinc/13/59/25/201135925.db2.gz JEUOHRBWVYTZDA-LLVKDONJSA-N 0 0 330.388 1.861 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000067700644 201160466 /nfs/dbraw/zinc/16/04/66/201160466.db2.gz ZKKPIFSIZKJTNH-VXGBXAGGSA-N 0 0 334.420 1.616 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000188077446 138831310 /nfs/dbraw/zinc/83/13/10/138831310.db2.gz IJRHNZRDWUVPHQ-BBRMVZONSA-N 0 0 334.391 1.812 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000188279679 138836586 /nfs/dbraw/zinc/83/65/86/138836586.db2.gz VIESVMBWZONNJE-AWEZNQCLSA-N 0 0 341.415 1.780 10 0 EDAERN CCN(CC(=O)NCn1cnc2ccccc2c1=O)c1ccccc1 ZINC000001842319 201359386 /nfs/dbraw/zinc/35/93/86/201359386.db2.gz AWBMGXOWZUGMJC-UHFFFAOYSA-N 0 0 336.395 1.997 10 0 EDAERN CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000003652326 201359879 /nfs/dbraw/zinc/35/98/79/201359879.db2.gz QYCOUYBBIYYCBB-OALUTQOASA-N 0 0 340.423 1.454 10 0 EDAERN CCS(=O)(=O)C[C@@H](C)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000153300975 201394240 /nfs/dbraw/zinc/39/42/40/201394240.db2.gz ADZCFRWCPRXZTL-LLVKDONJSA-N 0 0 334.463 1.683 10 0 EDAERN CCOc1cc(/C=c2\sc3nc(C)nn3c2=O)ccc1OC(C)=O ZINC000047154607 202577651 /nfs/dbraw/zinc/57/76/51/202577651.db2.gz LRZWMURDFVPFHJ-ZSOIEALJSA-N 0 0 345.380 1.331 10 0 EDAERN COC[C@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165098142 201421195 /nfs/dbraw/zinc/42/11/95/201421195.db2.gz ZFUNXOCDPAMGGV-SSDOTTSWSA-N 0 0 338.788 1.139 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)N[C@H]2CCCOC2)c1 ZINC000165100541 201420320 /nfs/dbraw/zinc/42/03/20/201420320.db2.gz RGGKPULTJJXBIR-ZETCQYMHSA-N 0 0 336.772 1.035 10 0 EDAERN CCN(CC)S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000000218044 201450053 /nfs/dbraw/zinc/45/00/53/201450053.db2.gz BKCXFNGJDXLCGQ-UHFFFAOYSA-N 0 0 345.509 1.688 10 0 EDAERN O=C1NCCN(S(=O)(=O)NC2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000062275152 202795793 /nfs/dbraw/zinc/79/57/93/202795793.db2.gz JWOJRPSJUMIGHT-CQSZACIVSA-N 0 0 341.408 1.076 10 0 EDAERN CCCNS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 ZINC000062437442 202799192 /nfs/dbraw/zinc/79/91/92/202799192.db2.gz KKLXJCXRPULUMV-CQSZACIVSA-N 0 0 325.434 1.012 10 0 EDAERN Nc1cc(Br)ccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000063155097 202805388 /nfs/dbraw/zinc/80/53/88/202805388.db2.gz YJPULGQXQRQGEW-SECBINFHSA-N 0 0 335.223 1.952 10 0 EDAERN CCCN1C(=O)c2ccc(C(=O)N3CCCCC3)cc2S1(=O)=O ZINC000065007755 202822465 /nfs/dbraw/zinc/82/24/65/202822465.db2.gz SFSBNGVRRMYSMG-UHFFFAOYSA-N 0 0 336.413 1.867 10 0 EDAERN COC(=O)[C@H](N)CSCC(=O)Nc1ccccc1Br ZINC000069563256 203019463 /nfs/dbraw/zinc/01/94/63/203019463.db2.gz VDXFMJFRYSATSL-SECBINFHSA-N 0 0 347.234 1.621 10 0 EDAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCC[C@H]1c1ccco1 ZINC000191673168 138920726 /nfs/dbraw/zinc/92/07/26/138920726.db2.gz QTTDFCVNLXQMOL-HNNXBMFYSA-N 0 0 340.383 1.588 10 0 EDAERN COc1ccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)c(OC)c1 ZINC000070808770 203081499 /nfs/dbraw/zinc/08/14/99/203081499.db2.gz UCYYMQHHVDLFEK-UHFFFAOYSA-N 0 0 342.355 1.205 10 0 EDAERN C[C@@H]1CCCCN1C(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000070815473 203081819 /nfs/dbraw/zinc/08/18/19/203081819.db2.gz WYBNMXSKFWHUHO-GFCCVEGCSA-N 0 0 330.384 1.888 10 0 EDAERN CCN(CC)c1ccc(NC(=O)C2CN(S(C)(=O)=O)C2)c(C)c1 ZINC000070817640 203082098 /nfs/dbraw/zinc/08/20/98/203082098.db2.gz HCPFZKZVARQBFY-UHFFFAOYSA-N 0 0 339.461 1.671 10 0 EDAERN COc1cccc(NC(=O)[C@@H](C)n2nc(-n3cccn3)ccc2=O)c1 ZINC000070873705 203083263 /nfs/dbraw/zinc/08/32/63/203083263.db2.gz KLJZRRFLJXRZAE-GFCCVEGCSA-N 0 0 339.355 1.637 10 0 EDAERN Cc1c(S(N)(=O)=O)cnn1Cc1cccc(Br)c1 ZINC000071194475 203087769 /nfs/dbraw/zinc/08/77/69/203087769.db2.gz IZNDRTHLSZKBSI-UHFFFAOYSA-N 0 0 330.207 1.650 10 0 EDAERN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)oc3cccnc32)cc1 ZINC000071527105 203098607 /nfs/dbraw/zinc/09/86/07/203098607.db2.gz WXQUZKUKPRQYIA-UHFFFAOYSA-N 0 0 341.323 1.805 10 0 EDAERN Cc1cc2c(nc(C)n(CC(=O)Nc3nnc(C)s3)c2=O)s1 ZINC000071527790 203098920 /nfs/dbraw/zinc/09/89/20/203098920.db2.gz NUGPXTSKJNTODP-UHFFFAOYSA-N 0 0 335.414 1.873 10 0 EDAERN O=c1ccc(Cl)cn1CCCNS(=O)(=O)c1ccccc1 ZINC000071557969 203099952 /nfs/dbraw/zinc/09/99/52/203099952.db2.gz ZGDDULMMHNOPLZ-UHFFFAOYSA-N 0 0 326.805 1.870 10 0 EDAERN COC(=O)[C@H](C)CN(CCCNC(C)=O)C(=O)c1ccccc1C ZINC000071607381 203100136 /nfs/dbraw/zinc/10/01/36/203100136.db2.gz BIAQACBWDXSWNJ-CQSZACIVSA-N 0 0 334.416 1.773 10 0 EDAERN CCOC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 ZINC000071625768 203101266 /nfs/dbraw/zinc/10/12/66/203101266.db2.gz YUBCFQKWBNBVEW-CQSZACIVSA-N 0 0 349.383 1.990 10 0 EDAERN Cc1nc2c(cc1C(=O)Nc1ccc(Cl)cc1)c(=O)[nH]c(=O)n2C ZINC000072451963 203226462 /nfs/dbraw/zinc/22/64/62/203226462.db2.gz HEAMPQWIGQEIEE-UHFFFAOYSA-N 0 0 344.758 1.836 10 0 EDAERN CCc1cc(=O)[nH]c(NS(=O)(=O)c2ccc(OC)c(OC)c2)n1 ZINC000072465903 203228869 /nfs/dbraw/zinc/22/88/69/203228869.db2.gz UNXZEPTXBQCVAV-UHFFFAOYSA-N 0 0 339.373 1.563 10 0 EDAERN COCc1nc2ncc3c(ccn(CCc4cccs4)c3=O)n2n1 ZINC000072465767 203229193 /nfs/dbraw/zinc/22/91/93/203229193.db2.gz CIEJDJISJDEHQW-UHFFFAOYSA-N 0 0 341.396 1.890 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 ZINC000075520149 203316209 /nfs/dbraw/zinc/31/62/09/203316209.db2.gz QBTCPYRNWCTJTP-GXFFZTMASA-N 0 0 345.428 1.684 10 0 EDAERN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H]1C[C@H]1C ZINC000075981026 203329541 /nfs/dbraw/zinc/32/95/41/203329541.db2.gz CTHZTVWRHKMVBG-DOMZBBRYSA-N 0 0 339.461 1.722 10 0 EDAERN C[C@H]1COC[C@H](C)N1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000077365057 203383993 /nfs/dbraw/zinc/38/39/93/203383993.db2.gz SPVPRTFXTMDIDF-GJZGRUSLSA-N 0 0 345.443 1.539 10 0 EDAERN C[C@H]1COC[C@H](C)N1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000077366857 203383401 /nfs/dbraw/zinc/38/34/01/203383401.db2.gz HSQXTUVDQXMQTR-GJZGRUSLSA-N 0 0 333.432 1.571 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n[nH]1 ZINC000077710319 203398818 /nfs/dbraw/zinc/39/88/18/203398818.db2.gz ULXWJPUKBHIXSL-GHMZBOCLSA-N 0 0 343.387 1.354 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C)n3)C2)c1 ZINC000193475935 138970354 /nfs/dbraw/zinc/97/03/54/138970354.db2.gz GUIHPRGSBBUXAJ-CQSZACIVSA-N 0 0 327.388 1.697 10 0 EDAERN Cc1c(Br)cccc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091782694 291484372 /nfs/dbraw/zinc/48/43/72/291484372.db2.gz GXWDNGFCFSYLJE-NSHDSACASA-N 0 0 327.178 1.084 10 0 EDAERN N[C@@](CC[NH3+])(C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095080526 203710816 /nfs/dbraw/zinc/71/08/16/203710816.db2.gz WHDIANFGEKXMJB-IBGZPJMESA-N 0 0 340.379 1.473 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ncccn2)C1 ZINC000095084855 203711214 /nfs/dbraw/zinc/71/12/14/203711214.db2.gz QCHAKKLBWLEFGA-LLVKDONJSA-N 0 0 327.406 1.650 10 0 EDAERN O=C1N[C@@H](c2ccc(OCc3ccncc3)cc2)N2CCOC[C@@H]12 ZINC000093883058 203706611 /nfs/dbraw/zinc/70/66/11/203706611.db2.gz SMWQDNAGSMZKAT-DLBZAZTESA-N 0 0 325.368 1.490 10 0 EDAERN O=C1CO[C@@H]2CN(c3cccc(F)c3)C[C@H]2N1Cc1cccnc1 ZINC000096081603 203829423 /nfs/dbraw/zinc/82/94/23/203829423.db2.gz WNLMNNGQPJQBGB-IAGOWNOFSA-N 0 0 327.359 1.837 10 0 EDAERN Cc1ccn(CC(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c(=O)c1 ZINC000194772724 139000379 /nfs/dbraw/zinc/00/03/79/139000379.db2.gz UZQGEOKUSUZINO-AWEZNQCLSA-N 0 0 349.431 1.672 10 0 EDAERN Nc1csc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1 ZINC000041068307 203999569 /nfs/dbraw/zinc/99/95/69/203999569.db2.gz RDSXLZWYXBZTMH-UHFFFAOYSA-N 0 0 329.369 1.199 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccn(CCOC)n2)C1 ZINC000101758353 204020491 /nfs/dbraw/zinc/02/04/91/204020491.db2.gz LKELBAXWPOQIPR-CYBMUJFWSA-N 0 0 337.424 1.442 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)O1 ZINC000151726361 204053017 /nfs/dbraw/zinc/05/30/17/204053017.db2.gz GIHFVXCMTIAHKS-NHYWBVRUSA-N 0 0 338.354 1.817 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cccc(C(N)=S)c2)CC(C)(C)O1 ZINC000041681032 204055417 /nfs/dbraw/zinc/05/54/17/204055417.db2.gz YKDZWCZQNKUCTH-JTQLQIEISA-N 0 0 328.459 1.509 10 0 EDAERN O=C1c2cccc(Br)c2N(CCN2CCOCC2)C1=O ZINC000042100488 204062402 /nfs/dbraw/zinc/06/24/02/204062402.db2.gz SHMRVYBKCGTXAS-UHFFFAOYSA-N 0 0 339.189 1.311 10 0 EDAERN COC(=O)c1cc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)s1 ZINC000151840881 204114728 /nfs/dbraw/zinc/11/47/28/204114728.db2.gz JPAPOHXQWPQYQB-GFCCVEGCSA-N 0 0 336.417 1.843 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000104777821 204119022 /nfs/dbraw/zinc/11/90/22/204119022.db2.gz UWZONAXMRWIZDQ-KRWDZBQOSA-N 0 0 343.431 1.061 10 0 EDAERN CCCN(CC(=O)OCC)S(=O)(=O)c1cc(Cl)ccc1N ZINC000042694093 204126652 /nfs/dbraw/zinc/12/66/52/204126652.db2.gz VCMOZIPRTSUIEF-UHFFFAOYSA-N 0 0 334.825 1.886 10 0 EDAERN O=C1NCCN1CCOc1cccc(I)c1 ZINC000042418272 204092584 /nfs/dbraw/zinc/09/25/84/204092584.db2.gz JZLRQGFSQFUDCB-UHFFFAOYSA-N 0 0 332.141 1.695 10 0 EDAERN COC[C@@H](O)CN(C)CC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000042483037 204103982 /nfs/dbraw/zinc/10/39/82/204103982.db2.gz DUPLSNPVIOXVSH-VIFPVBQESA-N 0 0 336.219 1.453 10 0 EDAERN Cc1csc(=O)n1CCN1CCN(Cc2cnc(C)s2)CC1 ZINC000105813858 204163196 /nfs/dbraw/zinc/16/31/96/204163196.db2.gz ZDLHFVKCHOBFHA-UHFFFAOYSA-N 0 0 338.502 1.801 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2cccnc2Cl)C[C@H]1C ZINC000105833014 204167307 /nfs/dbraw/zinc/16/73/07/204167307.db2.gz OKYZFXJSFHXPDY-OLZOCXBDSA-N 0 0 340.855 1.715 10 0 EDAERN CN1CCO[C@H](CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)C1 ZINC000105283489 204140467 /nfs/dbraw/zinc/14/04/67/204140467.db2.gz DIJCJXVFUZPIRL-OAHLLOKOSA-N 0 0 339.386 1.969 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(CNC(N)=O)cc3)C2)c1 ZINC000105858202 204170530 /nfs/dbraw/zinc/17/05/30/204170530.db2.gz UBALZIZWVIDETN-INIZCTEOSA-N 0 0 341.415 1.837 10 0 EDAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105855706 204170949 /nfs/dbraw/zinc/17/09/49/204170949.db2.gz APUKMANSKGAXRH-STQMWFEESA-N 0 0 337.424 1.745 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3nc(C4CC4)no3)CC2)n1 ZINC000105868545 204171770 /nfs/dbraw/zinc/17/17/70/204171770.db2.gz SCNWDEBYNIGYHB-UHFFFAOYSA-N 0 0 330.392 1.458 10 0 EDAERN CCCCc1noc(CN2CCN(c3nccc(OCC)n3)CC2)n1 ZINC000105868513 204173310 /nfs/dbraw/zinc/17/33/10/204173310.db2.gz SLGORKSKODXZDQ-UHFFFAOYSA-N 0 0 346.435 1.923 10 0 EDAERN c1cnn(C[C@@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)c1 ZINC000105888097 204176890 /nfs/dbraw/zinc/17/68/90/204176890.db2.gz OLSNNEGHXBMWDC-HNNXBMFYSA-N 0 0 325.372 1.834 10 0 EDAERN CN(Cc1ccccc1F)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105889206 204177091 /nfs/dbraw/zinc/17/70/91/204177091.db2.gz ICGSYANKLCCACU-MRXNPFEDSA-N 0 0 346.406 1.382 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)CNC(=O)c2cc(F)cc(F)c2)cn1 ZINC000105894301 204178321 /nfs/dbraw/zinc/17/83/21/204178321.db2.gz XDWOJEPYYZUHNG-OAHLLOKOSA-N 0 0 348.353 1.792 10 0 EDAERN C[C@@H](C(=O)N(C)C)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105918237 204179631 /nfs/dbraw/zinc/17/96/31/204179631.db2.gz ZYXNJKLBUVGOSN-KBPBESRZSA-N 0 0 325.478 1.530 10 0 EDAERN CCOc1ccnc(N2CCN(CC(=O)N(C(C)C)C(C)C)CC2)n1 ZINC000106153068 204186817 /nfs/dbraw/zinc/18/68/17/204186817.db2.gz LMTGEWZCBSAXSR-UHFFFAOYSA-N 0 0 349.479 1.643 10 0 EDAERN Cn1cc(N2CC[C@@H](N3CC[C@H](Oc4cccnc4)C3)C2=O)cn1 ZINC000152259304 204259794 /nfs/dbraw/zinc/25/97/94/204259794.db2.gz IXQMYHNJLLCCJU-JKSUJKDBSA-N 0 0 327.388 1.074 10 0 EDAERN COC(=O)c1ccc(N(C)[C@@H]2CCCN(c3cccnn3)C2)nn1 ZINC000108946323 204274895 /nfs/dbraw/zinc/27/48/95/204274895.db2.gz LCZBFKAUPKAQOT-GFCCVEGCSA-N 0 0 328.376 1.158 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)CCc3ccccc3O)CC2)n1 ZINC000110896217 204326277 /nfs/dbraw/zinc/32/62/77/204326277.db2.gz ZLYNTWYREUHCTC-CYBMUJFWSA-N 0 0 344.415 1.922 10 0 EDAERN O=C(/C=C/c1cnc2ccccc2n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111084327 204335632 /nfs/dbraw/zinc/33/56/32/204335632.db2.gz WXEJFJIAHWVLMX-MOEXGYKKSA-N 0 0 349.394 1.767 10 0 EDAERN COC(=O)CCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000049063083 204367251 /nfs/dbraw/zinc/36/72/51/204367251.db2.gz AKFDLWFZWUVCKV-UHFFFAOYSA-N 0 0 326.296 1.592 10 0 EDAERN COCc1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111722332 204369651 /nfs/dbraw/zinc/36/96/51/204369651.db2.gz UJJSOVYDGWDZQO-MRXNPFEDSA-N 0 0 330.388 1.962 10 0 EDAERN NC(=O)c1ccc(CNC(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000111823380 204375424 /nfs/dbraw/zinc/37/54/24/204375424.db2.gz DFFNACDISPESSW-ZDUSSCGKSA-N 0 0 346.412 1.525 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCCN3C(=O)CCC3=O)C2)c1 ZINC000111859291 204377407 /nfs/dbraw/zinc/37/74/07/204377407.db2.gz GPHRKLDMGCSHGH-AWEZNQCLSA-N 0 0 347.419 1.077 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCCOc3ccccc3)CCO2)c1 ZINC000112104618 204382547 /nfs/dbraw/zinc/38/25/47/204382547.db2.gz LLQALVSOVPYFKA-QGZVFWFLSA-N 0 0 344.415 1.681 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccccc3C=O)CCO2)c1 ZINC000112069065 204382704 /nfs/dbraw/zinc/38/27/04/204382704.db2.gz XFQPFHUYLRYIML-INIZCTEOSA-N 0 0 343.383 1.310 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)Cc3cccc(O)c3)CC2)n1 ZINC000112117319 204383890 /nfs/dbraw/zinc/38/38/90/204383890.db2.gz CNQCUFQVRWADRB-ZDUSSCGKSA-N 0 0 344.415 1.786 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)NC3CCCCC3)C2)cn1 ZINC000116230632 204525336 /nfs/dbraw/zinc/52/53/36/204525336.db2.gz ZLNYDGDVRAPEPD-ZDUSSCGKSA-N 0 0 333.436 1.368 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)Cc1ccc(OC(F)F)cc1 ZINC000195426671 139016278 /nfs/dbraw/zinc/01/62/78/139016278.db2.gz UTXDNUGKGMGNMQ-UHFFFAOYSA-N 0 0 346.359 1.970 10 0 EDAERN Cn1c(CN2CCC(c3ccnn3CCO)CC2)nnc1C1CC1 ZINC000195509378 139018475 /nfs/dbraw/zinc/01/84/75/139018475.db2.gz KEPZVLMJMRUGIK-UHFFFAOYSA-N 0 0 330.436 1.261 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000195519676 139019433 /nfs/dbraw/zinc/01/94/33/139019433.db2.gz RIDJCHUAPVHAQR-AWEZNQCLSA-N 0 0 349.456 1.831 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@H](C)c1cccs1 ZINC000195519891 139019817 /nfs/dbraw/zinc/01/98/17/139019817.db2.gz BPDYYJAMKRFXHQ-LLVKDONJSA-N 0 0 341.458 1.757 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1 ZINC000117819078 204577995 /nfs/dbraw/zinc/57/79/95/204577995.db2.gz JAHWGRURNMDHAV-QGZVFWFLSA-N 0 0 340.427 1.665 10 0 EDAERN Cc1cnn(CCNC(=O)CSCC(=O)Nc2cccc(C)c2)c1 ZINC000117987244 204581445 /nfs/dbraw/zinc/58/14/45/204581445.db2.gz PZWQPIYZDXKQLN-UHFFFAOYSA-N 0 0 346.456 1.988 10 0 EDAERN CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000155179254 205000740 /nfs/dbraw/zinc/00/07/40/205000740.db2.gz KGPIKWLDWBDUOG-GFCCVEGCSA-N 0 0 346.431 1.242 10 0 EDAERN CN(CC(=O)N1CCC[C@@H](Cn2cncn2)C1)C(=O)c1cccs1 ZINC000127297719 205093070 /nfs/dbraw/zinc/09/30/70/205093070.db2.gz IWEMIOWQXGWZKQ-CYBMUJFWSA-N 0 0 347.444 1.350 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000128138911 205134504 /nfs/dbraw/zinc/13/45/04/205134504.db2.gz DMUMFXDQRNVYES-UHFFFAOYSA-N 0 0 340.431 1.750 10 0 EDAERN CC(C)C[C@H](CNC(=O)N1CC[C@@]2(CCOC2)C1)N1CCOCC1 ZINC000156980021 205145991 /nfs/dbraw/zinc/14/59/91/205145991.db2.gz PGOLOKJMHRNSOK-SJLPKXTDSA-N 0 0 339.480 1.555 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000128471610 205149018 /nfs/dbraw/zinc/14/90/18/205149018.db2.gz FJRGHJFQCBHSGD-BZNIZROVSA-N 0 0 342.361 1.826 10 0 EDAERN CCCS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000051073660 205153477 /nfs/dbraw/zinc/15/34/77/205153477.db2.gz WKMULWDNHVBMHJ-UHFFFAOYSA-N 0 0 331.825 1.233 10 0 EDAERN C[S@](=O)CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000157768496 205250786 /nfs/dbraw/zinc/25/07/86/205250786.db2.gz QTDYEBSYTALGCP-QGZVFWFLSA-N 0 0 331.246 1.232 10 0 EDAERN CCc1noc(CC)c1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000132971198 205351472 /nfs/dbraw/zinc/35/14/72/205351472.db2.gz CBHIZPUHGSKYBX-ZDUSSCGKSA-N 0 0 347.419 1.607 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@H](C)CC(=O)OC)CC2)n1 ZINC000132815362 205342943 /nfs/dbraw/zinc/34/29/43/205342943.db2.gz OFEHTOUUCWYDAY-NEPJUHHUSA-N 0 0 338.408 1.036 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1cncc(C)c1 ZINC000133524988 205369210 /nfs/dbraw/zinc/36/92/10/205369210.db2.gz RKAOWEOQSDNSON-GJBLVYBDSA-N 0 0 327.388 1.792 10 0 EDAERN CSC[C@@H](C)NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000133577687 205371845 /nfs/dbraw/zinc/37/18/45/205371845.db2.gz PGVWUWMSFBBYSH-GFCCVEGCSA-N 0 0 339.509 1.616 10 0 EDAERN CC(=O)c1cccc(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111360301 220145277 /nfs/dbraw/zinc/14/52/77/220145277.db2.gz YDWSYWHLLYKQPI-OAHLLOKOSA-N 0 0 349.412 1.175 10 0 EDAERN CC(C)c1cc(NC(=O)C(=O)N[C@H]2C[C@H]2C)n(-c2ncccn2)n1 ZINC000134336722 205401509 /nfs/dbraw/zinc/40/15/09/205401509.db2.gz JKRJTGXPBJQTCB-PWSUYJOCSA-N 0 0 328.376 1.249 10 0 EDAERN CCCC(=O)Nc1ccc(CNC(=O)N[C@H](C(N)=O)C(C)C)cc1 ZINC000134729030 205423426 /nfs/dbraw/zinc/42/34/26/205423426.db2.gz POOVPDRAISEFKU-HNNXBMFYSA-N 0 0 334.420 1.734 10 0 EDAERN Cc1nc(-c2ccc(CCNC(=O)[C@H]3COCCN3)cc2)cs1 ZINC000237802900 139060706 /nfs/dbraw/zinc/06/07/06/139060706.db2.gz KOMDJOORRAERLX-OAHLLOKOSA-N 0 0 331.441 1.766 10 0 EDAERN Nc1cc(S(=O)(=O)Nc2ccncc2Br)ccn1 ZINC000147803898 205563707 /nfs/dbraw/zinc/56/37/07/205563707.db2.gz CXGLAXSOZANKKS-UHFFFAOYSA-N 0 0 329.179 1.622 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000151204595 205622204 /nfs/dbraw/zinc/62/22/04/205622204.db2.gz AGXIEHDDEXQQBI-LSDHHAIUSA-N 0 0 346.435 1.080 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000245452764 139075413 /nfs/dbraw/zinc/07/54/13/139075413.db2.gz DWHHPQLMDXMQRD-BFHYXJOUSA-N 0 0 348.447 1.812 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(c3ncnc4nc[nH]c43)CC2)n1 ZINC000112086266 220241104 /nfs/dbraw/zinc/24/11/04/220241104.db2.gz FQQBXNNBQHRIIA-SNVBAGLBSA-N 0 0 328.380 1.182 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)c2cc(C(N)=O)cn2C)cc1OC ZINC000154463689 205929390 /nfs/dbraw/zinc/92/93/90/205929390.db2.gz NGLYIRBVPUUZJC-SNVBAGLBSA-N 0 0 331.372 1.632 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000155589961 206019376 /nfs/dbraw/zinc/01/93/76/206019376.db2.gz KXQZLJJTHRBEGM-DOMZBBRYSA-N 0 0 339.461 1.864 10 0 EDAERN C[C@H](CNC(=O)Cc1csc(-c2ccoc2)n1)N1CCOCC1 ZINC000155919568 206044396 /nfs/dbraw/zinc/04/43/96/206044396.db2.gz MKPWDRGBWBWVPK-GFCCVEGCSA-N 0 0 335.429 1.783 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc(Br)s1)[S@@](C)=O ZINC000156091575 206054656 /nfs/dbraw/zinc/05/46/56/206054656.db2.gz PYBIWDGOEQJBOO-XHLQUELWSA-N 0 0 346.293 1.556 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[S@](C)=O ZINC000156099156 206054925 /nfs/dbraw/zinc/05/49/25/206054925.db2.gz ACPICKPPCYLELF-ZKANADHPSA-N 0 0 340.264 1.494 10 0 EDAERN CC(C)Cn1ncc(C(=O)N[C@@H]2CCc3ncnn3C2)c1C1CC1 ZINC000156782671 206099654 /nfs/dbraw/zinc/09/96/54/206099654.db2.gz ATBIRDAIJZLENQ-CYBMUJFWSA-N 0 0 328.420 1.753 10 0 EDAERN CCc1nc2cc(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3O)ccc2o1 ZINC000158547954 206198700 /nfs/dbraw/zinc/19/87/00/206198700.db2.gz VVNWQFNAYJWSMC-BXUZGUMPSA-N 0 0 345.399 1.996 10 0 EDAERN COCCn1ncc(N[C@@H](C)CSC)c(Br)c1=O ZINC000158596239 206200486 /nfs/dbraw/zinc/20/04/86/206200486.db2.gz YLUXXYIDOMVLTC-QMMMGPOBSA-N 0 0 336.255 1.816 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1)n1cncn1 ZINC000245966036 139091342 /nfs/dbraw/zinc/09/13/42/139091342.db2.gz DRVATXNVRRSXRZ-TYNCELHUSA-N 0 0 343.387 1.984 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)O1 ZINC000245976922 139091590 /nfs/dbraw/zinc/09/15/90/139091590.db2.gz GHLUKKKAPGDILR-OSAQELSMSA-N 0 0 328.372 1.773 10 0 EDAERN C[C@@H]1CN(Cc2noc(-c3ccsc3)n2)C[C@H]1N1CCOCC1 ZINC000246119553 139095530 /nfs/dbraw/zinc/09/55/30/139095530.db2.gz LBVXCQQGLMQTEH-TZMCWYRMSA-N 0 0 334.445 1.951 10 0 EDAERN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C ZINC000246176081 139097880 /nfs/dbraw/zinc/09/78/80/139097880.db2.gz DUGUVCCZEWTYOZ-UBHSHLNASA-N 0 0 342.486 1.611 10 0 EDAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000246384026 139106455 /nfs/dbraw/zinc/10/64/55/139106455.db2.gz NLWLAHCACYWPAN-DAXOMENPSA-N 0 0 329.404 1.449 10 0 EDAERN C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@@H]1N1CCOCC1 ZINC000246616870 139115244 /nfs/dbraw/zinc/11/52/44/139115244.db2.gz YPERYVGRFQJRMG-XWSJACJDSA-N 0 0 349.519 1.820 10 0 EDAERN CCc1cccc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000246643001 139116303 /nfs/dbraw/zinc/11/63/03/139116303.db2.gz ZROCSDJLQITJRS-YOEHRIQHSA-N 0 0 338.473 1.590 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)C2(O)CCCC2)c2cccs2)CCO1 ZINC000246724398 139118864 /nfs/dbraw/zinc/11/88/64/139118864.db2.gz GHYBATYVVCHRRO-ZIAGYGMSSA-N 0 0 338.473 1.931 10 0 EDAERN COc1cc(OC)cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246817711 139122907 /nfs/dbraw/zinc/12/29/07/139122907.db2.gz JRSQNNXMVCYMPC-MLGOLLRUSA-N 0 0 342.461 1.711 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)N(C)C3CCCCC3)CCO2)[nH]1 ZINC000246839323 139123758 /nfs/dbraw/zinc/12/37/58/139123758.db2.gz DHSWPYBSAOAMEH-DOMZBBRYSA-N 0 0 335.452 1.666 10 0 EDAERN C[C@@H](NC(=O)CCCCC(=O)N[C@@H](C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000246986702 139129786 /nfs/dbraw/zinc/12/97/86/139129786.db2.gz ARSALDAAVDLTFL-SYMSYNOKSA-N 0 0 340.464 1.914 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)N([C@H](C)C3CC3)C3CC3)CCO2)c1 ZINC000246988667 139129986 /nfs/dbraw/zinc/12/99/86/139129986.db2.gz AWUXLYOSZDCREX-QAPCUYQASA-N 0 0 346.475 1.682 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000246967479 139128839 /nfs/dbraw/zinc/12/88/39/139128839.db2.gz JDKJFZKSADQGEL-UONOGXRCSA-N 0 0 345.365 1.790 10 0 EDAERN C[C@H]1C[C@H]1CNS(=O)(=O)c1cc(CO)ccc1Br ZINC000160745462 206311448 /nfs/dbraw/zinc/31/14/48/206311448.db2.gz WGWNOOVTRHSLIP-WPRPVWTQSA-N 0 0 334.235 1.876 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)C3(CCOC)CC3)CC2)n1 ZINC000161734703 206367454 /nfs/dbraw/zinc/36/74/54/206367454.db2.gz GOQARFMIBVFQMP-UHFFFAOYSA-N 0 0 334.420 1.341 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(N)ccc1Br ZINC000167719710 206539679 /nfs/dbraw/zinc/53/96/79/206539679.db2.gz NIYAKGHJFYLGSG-SCZZXKLOSA-N 0 0 329.194 1.253 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1c1ccc(I)cc1N ZINC000167768025 206540118 /nfs/dbraw/zinc/54/01/18/206540118.db2.gz CHJKBQIXIYNUNQ-SCZZXKLOSA-N 0 0 348.184 1.459 10 0 EDAERN O=C1C[C@H](Cc2ccc(F)cc2F)C(=O)N1CCN1CCOCC1 ZINC000169940546 206566994 /nfs/dbraw/zinc/56/69/94/206566994.db2.gz UCZVKQKMAAJUGY-ZDUSSCGKSA-N 0 0 338.354 1.215 10 0 EDAERN CC[C@@H](C)N1C(=O)c2ccc(C(=O)N3CC[C@H](OC)C3)cc2C1=O ZINC000170517317 206578495 /nfs/dbraw/zinc/57/84/95/206578495.db2.gz GIFYRVTWEOKFPX-YPMHNXCESA-N 0 0 330.384 1.942 10 0 EDAERN O=C(CN1CCCC[C@H]1c1nnc2n1CCCC2)NC1CCOCC1 ZINC000171138899 206664998 /nfs/dbraw/zinc/66/49/98/206664998.db2.gz QHAOAOLDXGSXNZ-HNNXBMFYSA-N 0 0 347.463 1.437 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000248240168 139159730 /nfs/dbraw/zinc/15/97/30/139159730.db2.gz GTGISGDOAXGTET-GFCCVEGCSA-N 0 0 344.371 1.268 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000248652395 139170401 /nfs/dbraw/zinc/17/04/01/139170401.db2.gz NZOKWXHYYJPKTC-LOUJCGABSA-N 0 0 326.437 1.911 10 0 EDAERN CC[C@H]1CN(C(=O)c2nc3cccnc3s2)CCN1C[C@H](C)O ZINC000248737257 139173689 /nfs/dbraw/zinc/17/36/89/139173689.db2.gz NVNQLNFEUNELOD-RYUDHWBXSA-N 0 0 334.445 1.609 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000248912248 139180558 /nfs/dbraw/zinc/18/05/58/139180558.db2.gz NGQOYNLJRKOKQH-PAPYEOQZSA-N 0 0 338.398 1.982 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1c(C)nn(C)c1C ZINC000249352825 139191505 /nfs/dbraw/zinc/19/15/05/139191505.db2.gz WZTQNCXMWRRQRH-BMFZPTHFSA-N 0 0 333.432 1.912 10 0 EDAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249528442 139195050 /nfs/dbraw/zinc/19/50/50/139195050.db2.gz ZLVGIDBAHHCLJE-DRPJVOAASA-N 0 0 339.457 1.867 10 0 EDAERN O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883820 206761511 /nfs/dbraw/zinc/76/15/11/206761511.db2.gz BYHACXVSUOZFBU-CQSZACIVSA-N 0 0 339.399 1.620 10 0 EDAERN COc1ccc(OC)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173814990 206961287 /nfs/dbraw/zinc/96/12/87/206961287.db2.gz IGMDWXMHPSSXSV-CJNGLKHVSA-N 0 0 334.416 1.497 10 0 EDAERN CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)N1CCC1 ZINC000096113145 218609872 /nfs/dbraw/zinc/60/98/72/218609872.db2.gz MSFPGXQJJRSTEO-LSDHHAIUSA-N 0 0 335.835 1.824 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Cl)ccn3)C2=O)n(C)n1 ZINC000174989642 207079759 /nfs/dbraw/zinc/07/97/59/207079759.db2.gz VUHRUYYSRSBRRR-GFCCVEGCSA-N 0 0 347.806 1.702 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CC3CCOCC3)C2=O)n(C)n1 ZINC000174986780 207080201 /nfs/dbraw/zinc/08/02/01/207080201.db2.gz MALVIWSTFZNTAF-AWEZNQCLSA-N 0 0 334.420 1.157 10 0 EDAERN CC(C)N1CC[C@@H](N2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175188266 207103290 /nfs/dbraw/zinc/10/32/90/207103290.db2.gz AXXJNEXYSBDMIA-QZTJIDSGSA-N 0 0 331.460 1.347 10 0 EDAERN Cc1ccc2oc(N3CCN(S(=O)(=O)CCCF)CC3)nc2c1 ZINC000175571763 207139293 /nfs/dbraw/zinc/13/92/93/207139293.db2.gz NWRSDWBHLWLSKN-UHFFFAOYSA-N 0 0 341.408 1.948 10 0 EDAERN COC[C@@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc(C)o1 ZINC000175677700 207149422 /nfs/dbraw/zinc/14/94/22/207149422.db2.gz ALJUARARTUAQJR-LSDHHAIUSA-N 0 0 348.403 1.583 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](COC)c2ccco2)C[C@@H]1C ZINC000175706628 207152461 /nfs/dbraw/zinc/15/24/61/207152461.db2.gz HSAUIPAOAACCFW-KBPBESRZSA-N 0 0 325.409 1.329 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)C3(O)CCCCC3)C2=O)n(C)n1 ZINC000175976591 207178259 /nfs/dbraw/zinc/17/82/59/207178259.db2.gz CJLBFXMRILUXIV-CYBMUJFWSA-N 0 0 334.420 1.035 10 0 EDAERN CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175897758 207171114 /nfs/dbraw/zinc/17/11/14/207171114.db2.gz NYFJWPSVQPRMBJ-ZDUSSCGKSA-N 0 0 349.416 1.728 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176100605 207190995 /nfs/dbraw/zinc/19/09/95/207190995.db2.gz AZLGAQMFDASKKB-ZDUSSCGKSA-N 0 0 329.360 1.267 10 0 EDAERN CC(C)(C)OC(=O)N1CC(CC(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000176134418 207194390 /nfs/dbraw/zinc/19/43/90/207194390.db2.gz RLQCQACDNICDLA-GFCCVEGCSA-N 0 0 335.408 1.486 10 0 EDAERN O=C(c1ccc(F)c(F)c1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177208138 207306959 /nfs/dbraw/zinc/30/69/59/207306959.db2.gz ANGPCUGUEGFIEO-SNVBAGLBSA-N 0 0 325.290 1.842 10 0 EDAERN CCn1cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1=O ZINC000177229364 207309564 /nfs/dbraw/zinc/30/95/64/207309564.db2.gz ZQUFYOLKGSTQPY-HIFRSBDPSA-N 0 0 334.420 1.053 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177181098 207302720 /nfs/dbraw/zinc/30/27/20/207302720.db2.gz OQPOBQPORBSXDK-AWEZNQCLSA-N 0 0 334.445 1.804 10 0 EDAERN Cc1ccc(C(=O)NCCNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177320429 207320647 /nfs/dbraw/zinc/32/06/47/207320647.db2.gz QKBXGDSRYCDHJH-CQSZACIVSA-N 0 0 342.403 1.151 10 0 EDAERN O=C(CNC(=O)N[C@H]1CCCn2ncnc21)Nc1cccc(F)c1 ZINC000177343063 207323172 /nfs/dbraw/zinc/32/31/72/207323172.db2.gz LFMUSFMJVCVMDM-LBPRGKRZSA-N 0 0 332.339 1.190 10 0 EDAERN CCOCc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177402650 207331712 /nfs/dbraw/zinc/33/17/12/207331712.db2.gz DLSPWOVOXOJNIU-QGZVFWFLSA-N 0 0 345.443 1.858 10 0 EDAERN CCOCc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000177402663 207331839 /nfs/dbraw/zinc/33/18/39/207331839.db2.gz DLSPWOVOXOJNIU-KRWDZBQOSA-N 0 0 345.443 1.858 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(c2ccccn2)CC1 ZINC000177347399 207324274 /nfs/dbraw/zinc/32/42/74/207324274.db2.gz BFIOIPNALCYMFR-ZDUSSCGKSA-N 0 0 327.392 1.040 10 0 EDAERN O=C(Nc1cccc2cccnc21)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177390119 207329037 /nfs/dbraw/zinc/32/90/37/207329037.db2.gz UTDKKJWAZBTCIQ-HNNXBMFYSA-N 0 0 338.411 1.870 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177559245 207353352 /nfs/dbraw/zinc/35/33/52/207353352.db2.gz UJFOBVCVKZUARW-NEPJUHHUSA-N 0 0 335.408 1.486 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1cccc(OCC(F)(F)F)n1 ZINC000177559033 207354227 /nfs/dbraw/zinc/35/42/27/207354227.db2.gz NTQRPHNPJFZFEA-VIFPVBQESA-N 0 0 341.293 1.879 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)cn1 ZINC000177608236 207362989 /nfs/dbraw/zinc/36/29/89/207362989.db2.gz PGBSVVPKZZZAJV-HNNXBMFYSA-N 0 0 345.447 1.555 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177809672 207398921 /nfs/dbraw/zinc/39/89/21/207398921.db2.gz FEBCBHKSKJDPCD-XJKSGUPXSA-N 0 0 346.431 1.278 10 0 EDAERN Cc1cc(C)c2c(n1)nc(C(=O)N1CCOCC1)nc2N1CCCC1 ZINC000065232015 291837536 /nfs/dbraw/zinc/83/75/36/291837536.db2.gz ZEYWKWLXYHNRJC-UHFFFAOYSA-N 0 0 341.415 1.714 10 0 EDAERN O=Cc1ccc(OCC(=O)N2CCC(Nc3cccnn3)CC2)cc1 ZINC000113173691 220472064 /nfs/dbraw/zinc/47/20/64/220472064.db2.gz DIVKTJHYDIXWMQ-UHFFFAOYSA-N 0 0 340.383 1.771 10 0 EDAERN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CNC(=O)C1 ZINC000116660561 220978990 /nfs/dbraw/zinc/97/89/90/220978990.db2.gz CZTMVYFGZSLZSH-GHMZBOCLSA-N 0 0 339.342 1.119 10 0 EDAERN COCC[N@@H+]1CCN(Cc2c([O-])nnn2-c2ccccc2)C[C@H]1C ZINC000117323138 221053892 /nfs/dbraw/zinc/05/38/92/221053892.db2.gz LBCNGOREGZTLHF-CQSZACIVSA-N 0 0 331.420 1.125 10 0 EDAERN COCCN1CCN(C(=O)NCCOc2ccc(C)cc2)C[C@H]1C ZINC000117469502 221067012 /nfs/dbraw/zinc/06/70/12/221067012.db2.gz VWUGBTAKTAWVPG-MRXNPFEDSA-N 0 0 335.448 1.736 10 0 EDAERN COCCN1CCN(C(=O)NCc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000117475311 221068767 /nfs/dbraw/zinc/06/87/67/221068767.db2.gz JSNOQJGCDWRUNT-AWEZNQCLSA-N 0 0 348.447 1.507 10 0 EDAERN Cc1nnc(N2CC[C@@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)s1 ZINC000248039050 257667929 /nfs/dbraw/zinc/66/79/29/257667929.db2.gz SDTHJJZBZAABPH-BNOWGMLFSA-N 0 0 345.428 1.864 10 0 EDAERN Cc1noc([C@]23CCO[C@H]2CCN(S(=O)(=O)CC(C)C)C3)n1 ZINC000247999377 257669967 /nfs/dbraw/zinc/66/99/67/257669967.db2.gz DYUKDEYIFRAXQX-JSGCOSHPSA-N 0 0 329.422 1.096 10 0 EDAERN Fc1cnc(N2CCO[C@@H]3[C@H](OCc4cccnc4)CC[C@H]32)nc1 ZINC000503719123 257830348 /nfs/dbraw/zinc/83/03/48/257830348.db2.gz YPGVJROSSNTQKR-OAGGEKHMSA-N 0 0 330.363 1.964 10 0 EDAERN COc1cccc(NC(=O)C[S@@](=O)Cc2nnnn2C(C)C)c1 ZINC000176565914 533608842 /nfs/dbraw/zinc/60/88/42/533608842.db2.gz AERYPGUVHWAJEK-QHCPKHFHSA-N 0 0 337.405 1.150 10 0 EDAERN CC(=O)N(C[C@H]1CCCN1C(=O)C[C@H](C)N1CCCCC1=O)C1CC1 ZINC000328712225 140671921 /nfs/dbraw/zinc/67/19/21/140671921.db2.gz CHANKZKKVLLZSK-WMLDXEAASA-N 0 0 349.475 1.779 10 0 EDAERN C[C@@H](CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCCCC1=O ZINC000328767360 140674019 /nfs/dbraw/zinc/67/40/19/140674019.db2.gz PUUBECCQZJVKDG-JKSUJKDBSA-N 0 0 349.475 1.639 10 0 EDAERN CN1CCN(C(=O)[C@]2(C)CCCNC2=O)C[C@H]1c1nc(C2CC2)no1 ZINC000329057719 140693424 /nfs/dbraw/zinc/69/34/24/140693424.db2.gz YFMFXHRPSPTNPR-YVEFUNNKSA-N 0 0 347.419 1.519 10 0 EDAERN C[C@@H]1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)C[C@@H]1O ZINC000329176426 140699045 /nfs/dbraw/zinc/69/90/45/140699045.db2.gz MUZMSUCRKXYAON-WBVHZDCISA-N 0 0 333.428 1.982 10 0 EDAERN Cc1c(-c2nc([C@@H]3CC(=O)N(C)C3)no2)cccc1N1CCNC1=O ZINC000329737797 140757405 /nfs/dbraw/zinc/75/74/05/140757405.db2.gz TYWWMDKYTGDAQC-LLVKDONJSA-N 0 0 341.371 1.725 10 0 EDAERN O=C(NCc1ccc(-n2cncn2)cc1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000333079563 141260282 /nfs/dbraw/zinc/26/02/82/141260282.db2.gz LUVWFBYTOUVCNI-HZPDHXFCSA-N 0 0 341.415 1.835 10 0 EDAERN O=S(=O)(c1cnc2ccccc2c1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333167091 141274842 /nfs/dbraw/zinc/27/48/42/141274842.db2.gz JMPLCEXLQJWDFA-ZDUSSCGKSA-N 0 0 343.412 1.921 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CCC(c4c[nH]cn4)CC3)nc2n1 ZINC000333193618 141278861 /nfs/dbraw/zinc/27/88/61/141278861.db2.gz WJWPCZIGWLCKGB-UHFFFAOYSA-N 0 0 339.403 1.413 10 0 EDAERN Cc1cccc2[nH]c(CCC(=O)N3CC(=O)N(CC4CC4)C3)nc21 ZINC000333308492 141296814 /nfs/dbraw/zinc/29/68/14/141296814.db2.gz NAXYKTKACYGEQK-UHFFFAOYSA-N 0 0 326.400 1.842 10 0 EDAERN O=C(C[C@H]1Oc2ccccc2NC1=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333316626 141298232 /nfs/dbraw/zinc/29/82/32/141298232.db2.gz KHVFQACQVLCSOE-SMDDNHRTSA-N 0 0 341.371 1.301 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCOC3(CCC3)C2)C12CCOCC2 ZINC000185986366 286261781 /nfs/dbraw/zinc/26/17/81/286261781.db2.gz HEWBXLPLHNQTHO-HUUCEWRRSA-N 0 0 338.448 1.925 10 0 EDAERN COCCCN(C)CC(=O)Nc1nc(CN2CCCC2)cs1 ZINC000066378332 287243498 /nfs/dbraw/zinc/24/34/98/287243498.db2.gz KFDPNEAADKJCFG-UHFFFAOYSA-N 0 0 326.466 1.646 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1 ZINC000079297765 287299734 /nfs/dbraw/zinc/29/97/34/287299734.db2.gz JQTXPLPPXZJLAG-LBPRGKRZSA-N 0 0 348.794 1.056 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000079299119 287299749 /nfs/dbraw/zinc/29/97/49/287299749.db2.gz RPXYGCWVTZZETI-ZDUSSCGKSA-N 0 0 344.440 1.875 10 0 EDAERN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000080622770 287308292 /nfs/dbraw/zinc/30/82/92/287308292.db2.gz VJOAVDUNHOEZME-IUODEOHRSA-N 0 0 346.431 1.957 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCO[C@](C)(c3ccccc3)C2)C1 ZINC000120465899 287361480 /nfs/dbraw/zinc/36/14/80/287361480.db2.gz GJXZHFAQCDENLE-WMZOPIPTSA-N 0 0 333.432 1.274 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)c1nnc2n1CCCC2 ZINC000165659789 226131475 /nfs/dbraw/zinc/13/14/75/226131475.db2.gz IFWKVWPXGJJAMT-VIFPVBQESA-N 0 0 349.341 1.709 10 0 EDAERN O=c1c(I)c(Cl)ncn1C[C@@H]1CCOC1 ZINC000166349048 226154671 /nfs/dbraw/zinc/15/46/71/226154671.db2.gz PDYZDTFTEZLYMM-LURJTMIESA-N 0 0 340.548 1.538 10 0 EDAERN C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1 ZINC000167590514 226194974 /nfs/dbraw/zinc/19/49/74/226194974.db2.gz QVQAONTYCUODKJ-HTQZYQBOSA-N 0 0 339.244 1.967 10 0 EDAERN O=C(c1c(F)cc(Br)cc1F)N1CCOC[C@H]1CO ZINC000168176876 226209208 /nfs/dbraw/zinc/20/92/08/226209208.db2.gz IOYQOKNEEDEVIF-MRVPVSSYSA-N 0 0 336.132 1.561 10 0 EDAERN OC[C@H]1COCCN1Cc1cc(Br)cc2c1OCC2 ZINC000168863788 226225071 /nfs/dbraw/zinc/22/50/71/226225071.db2.gz JLAZJVSJOCZHKK-ZDUSSCGKSA-N 0 0 328.206 1.577 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000125899934 287412658 /nfs/dbraw/zinc/41/26/58/287412658.db2.gz KWJKEVNAJVLFHX-AWEZNQCLSA-N 0 0 339.403 1.833 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3ccccc3N)CC2)n1 ZINC000120279499 221534365 /nfs/dbraw/zinc/53/43/65/221534365.db2.gz MKPRVCQDIYPLDE-LBPRGKRZSA-N 0 0 329.404 1.733 10 0 EDAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123160544 222226069 /nfs/dbraw/zinc/22/60/69/222226069.db2.gz JZYLYMCGILCQDF-CVEARBPZSA-N 0 0 331.416 1.852 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)C[C@@H]3CCCCO3)CC2)n1 ZINC000151272304 287594653 /nfs/dbraw/zinc/59/46/53/287594653.db2.gz UUXJZVHEJLXRHL-KBPBESRZSA-N 0 0 336.436 1.796 10 0 EDAERN COC(=O)NCCC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091766596 272917139 /nfs/dbraw/zinc/91/71/39/272917139.db2.gz DUJWYJILCUSTDN-ZWNOBZJWSA-N 0 0 328.315 1.345 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C(CC)CC ZINC000245410358 287708310 /nfs/dbraw/zinc/70/83/10/287708310.db2.gz QOOJFTPIQCUCKK-ZIAGYGMSSA-N 0 0 334.482 1.104 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2OCCc3ccccc32)C[C@H]1C ZINC000133371118 276320664 /nfs/dbraw/zinc/32/06/64/276320664.db2.gz JKNQEZLIRHWZEV-QAPCUYQASA-N 0 0 332.444 1.870 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(C(=O)N(C)C)c2)C[C@H]1C ZINC000117276991 276321759 /nfs/dbraw/zinc/32/17/59/276321759.db2.gz AMKZBCPAKCYKAK-OAHLLOKOSA-N 0 0 347.459 1.571 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(C=O)[nH]3)CC2)n1 ZINC000176272306 276369423 /nfs/dbraw/zinc/36/94/23/276369423.db2.gz MWNPUVAZEWQRKV-UHFFFAOYSA-N 0 0 343.387 1.287 10 0 EDAERN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H]1CN(C)CCO1 ZINC000187210645 276392966 /nfs/dbraw/zinc/39/29/66/276392966.db2.gz PNNJTNHBWIZPIE-CYBMUJFWSA-N 0 0 346.880 1.554 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCCc2ncc[nH]2)[C@H]1c1ccccc1 ZINC000174747672 277007734 /nfs/dbraw/zinc/00/77/34/277007734.db2.gz PVZBTUJAKLWOLP-WMLDXEAASA-N 0 0 326.400 1.678 10 0 EDAERN CC(=O)NCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171796014 278101942 /nfs/dbraw/zinc/10/19/42/278101942.db2.gz SHLOMNGNXKTULE-NVXWUHKLSA-N 0 0 331.416 1.239 10 0 EDAERN C[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCS1 ZINC000171572745 278395584 /nfs/dbraw/zinc/39/55/84/278395584.db2.gz PDFVTERFAJBAGN-FZMZJTMJSA-N 0 0 332.429 1.071 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000263477552 279059407 /nfs/dbraw/zinc/05/94/07/279059407.db2.gz ZOOOJLNTEOIGFN-UHFFFAOYSA-N 0 0 346.431 1.349 10 0 EDAERN Cc1nc2ccccc2nc1N1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000370809353 279131099 /nfs/dbraw/zinc/13/10/99/279131099.db2.gz HGPXQVRBWLZNNU-SFHVURJKSA-N 0 0 339.399 1.847 10 0 EDAERN CC(C)NC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171987255 279578275 /nfs/dbraw/zinc/57/82/75/279578275.db2.gz AKMPAHFCNUASLE-RHSMWYFYSA-N 0 0 331.416 1.237 10 0 EDAERN CC(C)[C@@H]1N(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@]12CCCO2 ZINC000329358532 280041789 /nfs/dbraw/zinc/04/17/89/280041789.db2.gz BMLHYAFCFBRNSL-KSSFIOAISA-N 0 0 349.431 1.471 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246913299 288378821 /nfs/dbraw/zinc/37/88/21/288378821.db2.gz HVKXCSPQYFHWOB-JKIFEVAISA-N 0 0 336.407 1.835 10 0 EDAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cnc3c(c2)nnn3C)[nH]1 ZINC000328674667 293364928 /nfs/dbraw/zinc/36/49/28/293364928.db2.gz KBLGPMIJZQHBTR-LBPRGKRZSA-N 0 0 326.364 1.157 10 0 EDAERN Cn1c(/C=C\c2cccc(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000007996842 294135184 /nfs/dbraw/zinc/13/51/84/294135184.db2.gz WBWFIUAVMCNYPG-FPLPWBNLSA-N 0 0 330.775 1.795 10 0 EDAERN Cn1ccc(NC(=O)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000126379035 294355016 /nfs/dbraw/zinc/35/50/16/294355016.db2.gz BAMFIAKQGBZZTH-GFCCVEGCSA-N 0 0 328.372 1.777 10 0 EDAERN COc1c(Br)cccc1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000186884857 294883884 /nfs/dbraw/zinc/88/38/84/294883884.db2.gz BLWYHONLFUPHJC-JQWIXIFHSA-N 0 0 327.178 1.287 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000180271553 295158422 /nfs/dbraw/zinc/15/84/22/295158422.db2.gz BYKLLDYUJBNIHJ-MRXNPFEDSA-N 0 0 343.358 1.578 10 0 EDAERN O=C1N[C@H](c2cc(Br)ccc2Cl)N2CCOC[C@@H]12 ZINC000093883097 304685331 /nfs/dbraw/zinc/68/53/31/304685331.db2.gz AZASVZNNWNGNBF-QWRGUYRKSA-N 0 0 331.597 1.932 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000245689984 303306800 /nfs/dbraw/zinc/30/68/00/303306800.db2.gz ARCYHNUHMRYGIU-UPJWGTAASA-N 0 0 343.210 1.810 10 0 EDAERN OCCOc1ccccc1[C@H](Cc1ccccc1)[NH+](CCO)CCO ZINC000001668865 440849666 /nfs/dbraw/zinc/84/96/66/440849666.db2.gz MYIZJMPEBOGZJX-IBGZPJMESA-N 0 0 345.439 1.628 10 0 EDAERN CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C ZINC000002530794 440864524 /nfs/dbraw/zinc/86/45/24/440864524.db2.gz FPPCCQGECVKLDY-IHRRRGAJSA-N 0 0 343.468 1.116 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC000004411542 440916983 /nfs/dbraw/zinc/91/69/83/440916983.db2.gz LYALUJDOJBFGIU-AVGNSLFASA-N 0 0 343.468 1.942 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)o1 ZINC000103511272 441182577 /nfs/dbraw/zinc/18/25/77/441182577.db2.gz BKMLQQRXYFNWJI-ZIAGYGMSSA-N 0 0 348.447 1.643 10 0 EDAERN C[C@H](NC(=O)NCCN1CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000080634639 441185229 /nfs/dbraw/zinc/18/52/29/441185229.db2.gz WJKAZZHAURDYQS-HNNXBMFYSA-N 0 0 343.431 1.565 10 0 EDAERN COc1ccccc1CCNC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000104333406 441194264 /nfs/dbraw/zinc/19/42/64/441194264.db2.gz VAIQTGXULSEKAH-GJZGRUSLSA-N 0 0 342.395 1.305 10 0 EDAERN CCn1nc(-n2cnnc2)c(NC(=O)c2ccc3c(c2)OCO3)c1C ZINC000015830670 441211692 /nfs/dbraw/zinc/21/16/92/441211692.db2.gz OMASWULHNQSBJJ-UHFFFAOYSA-N 0 0 340.343 1.773 10 0 EDAERN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798279 441272498 /nfs/dbraw/zinc/27/24/98/441272498.db2.gz FUYDYORZCMRSAW-CVEARBPZSA-N 0 0 331.464 1.684 10 0 EDAERN CCCc1cc(C(=O)N2CCN(c3nccc(OCC)n3)CC2)[nH]n1 ZINC000105819915 441277674 /nfs/dbraw/zinc/27/76/74/441277674.db2.gz SKSNOQPDEVOZIZ-UHFFFAOYSA-N 0 0 344.419 1.513 10 0 EDAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105850279 441292326 /nfs/dbraw/zinc/29/23/26/441292326.db2.gz BKFGHLOAAPRSNW-KGLIPLIRSA-N 0 0 335.452 1.928 10 0 EDAERN CN(CC1CC1)C(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866187 441296398 /nfs/dbraw/zinc/29/63/98/441296398.db2.gz QNPACOQUMCJGBM-UHFFFAOYSA-N 0 0 347.507 1.624 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081588908 441293715 /nfs/dbraw/zinc/29/37/15/441293715.db2.gz QIMPGPMCOHWVMS-HNNXBMFYSA-N 0 0 337.383 1.664 10 0 EDAERN CN(C)C(=O)c1cccc(NC(=O)CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000063567176 441337416 /nfs/dbraw/zinc/33/74/16/441337416.db2.gz KJGMWFOGHJPINI-IAGOWNOFSA-N 0 0 345.443 1.970 10 0 EDAERN CCOc1ccnc(N2CCN(CCC(=O)NC3CCCC3)CC2)n1 ZINC000105868611 441299268 /nfs/dbraw/zinc/29/92/68/441299268.db2.gz GYNFMZYCOSGRKT-UHFFFAOYSA-N 0 0 347.463 1.446 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000105913761 441315299 /nfs/dbraw/zinc/31/52/99/441315299.db2.gz VMEBNYMIRYGYJV-QBPKDAKJSA-N 0 0 325.497 1.817 10 0 EDAERN CSc1nnc(-c2nn(C)c3c2CN(C(=O)C(C)(C)C)CC3)n1C ZINC000064567104 441384899 /nfs/dbraw/zinc/38/48/99/441384899.db2.gz AUUDAIIVVYSGPK-UHFFFAOYSA-N 0 0 348.476 1.868 10 0 EDAERN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cc(C2CC2)on1 ZINC000065565462 441461118 /nfs/dbraw/zinc/46/11/18/441461118.db2.gz GJFHZGHONLWPHW-DZGCQCFKSA-N 0 0 335.404 1.019 10 0 EDAERN CNC(=O)Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1 ZINC000031202947 441515703 /nfs/dbraw/zinc/51/57/03/441515703.db2.gz QQWWKTGMHXAZTM-NSHDSACASA-N 0 0 329.356 1.325 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CCc1ccccc1 ZINC000088787065 441522546 /nfs/dbraw/zinc/52/25/46/441522546.db2.gz ULGAEVRODHOEMD-AWEZNQCLSA-N 0 0 334.445 1.838 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(CC)cc1 ZINC000088817145 441524237 /nfs/dbraw/zinc/52/42/37/441524237.db2.gz AEWHECBIPXDBST-AWEZNQCLSA-N 0 0 341.415 1.993 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(C)ccc1F ZINC000088817044 441524604 /nfs/dbraw/zinc/52/46/04/441524604.db2.gz HMJFKCPKFKXXDW-GFCCVEGCSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@H](CC(=O)NC[C@H](C)N1CCOCC1)NC(=O)C1CCCCC1 ZINC000066611691 441551148 /nfs/dbraw/zinc/55/11/48/441551148.db2.gz YHCGWQMNJKFJBD-CABCVRRESA-N 0 0 339.480 1.298 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCc3cccc(C)n3)CCO2)c1 ZINC000112108434 441545046 /nfs/dbraw/zinc/54/50/46/441545046.db2.gz SRJPHZISWNWPER-MRXNPFEDSA-N 0 0 329.404 1.506 10 0 EDAERN CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000113584445 441616129 /nfs/dbraw/zinc/61/61/29/441616129.db2.gz BRHIIVVRYLTCTA-ZFWWWQNUSA-N 0 0 341.477 1.412 10 0 EDAERN CN1CC(=O)N(CCCC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1=O ZINC000113895359 441626305 /nfs/dbraw/zinc/62/63/05/441626305.db2.gz ZIPSOPZYBKVCEN-ZDUSSCGKSA-N 0 0 333.392 1.138 10 0 EDAERN O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000113967134 441629290 /nfs/dbraw/zinc/62/92/90/441629290.db2.gz FCIWQVTUJFSXJC-ZJUUUORDSA-N 0 0 335.326 1.556 10 0 EDAERN NC(=O)c1cncc(N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)n1 ZINC000067473457 441644022 /nfs/dbraw/zinc/64/40/22/441644022.db2.gz MCTLSQYQBQKNRU-SFHVURJKSA-N 0 0 344.390 1.536 10 0 EDAERN Cc1csc(-c2cc(C(=O)NCc3cc(C)nn3C)nc(N)n2)n1 ZINC000114861992 441693283 /nfs/dbraw/zinc/69/32/83/441693283.db2.gz PPSBQBNHRMWHKY-UHFFFAOYSA-N 0 0 343.416 1.463 10 0 EDAERN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2)cc1)c1cccc(F)c1 ZINC000067896870 441693832 /nfs/dbraw/zinc/69/38/32/441693832.db2.gz QFDLCBXYNIWLLO-NVXWUHKLSA-N 0 0 344.342 1.626 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCc1nccs1)CC2 ZINC000158194729 441704485 /nfs/dbraw/zinc/70/44/85/441704485.db2.gz XNLBGTNNYVQUTQ-NSHDSACASA-N 0 0 334.449 1.715 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)C1 ZINC000121469108 441712081 /nfs/dbraw/zinc/71/20/81/441712081.db2.gz MOWUGWOIWMXFAX-OAHLLOKOSA-N 0 0 342.399 1.542 10 0 EDAERN CC1=C(C(=O)N2CCC(CCN3CCCC3=O)CC2)[C@@H](C)NC(=O)N1 ZINC000067726147 441674175 /nfs/dbraw/zinc/67/41/75/441674175.db2.gz PKVKEIQJXFSWLX-GFCCVEGCSA-N 0 0 348.447 1.213 10 0 EDAERN COCCN(C(=O)N[C@@H](C)c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000091206218 441675203 /nfs/dbraw/zinc/67/52/03/441675203.db2.gz KTTRVCKXYBZQDZ-QWHCGFSZSA-N 0 0 344.433 1.494 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000121560518 441732895 /nfs/dbraw/zinc/73/28/95/441732895.db2.gz QLMVSXNQRYUAJT-CYBMUJFWSA-N 0 0 347.390 1.196 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cccnc2C)ncn1 ZINC000173423124 441745841 /nfs/dbraw/zinc/74/58/41/441745841.db2.gz DNGFZKCMHFESMG-ZDUSSCGKSA-N 0 0 326.404 1.621 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnc(C)n2)ncn1 ZINC000173446567 441754147 /nfs/dbraw/zinc/75/41/47/441754147.db2.gz NKMUUVUPACLOHB-GFCCVEGCSA-N 0 0 327.392 1.016 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)CC3(O)CCCC3)C2=O)n(C)n1 ZINC000173450352 441755419 /nfs/dbraw/zinc/75/54/19/441755419.db2.gz UXPHNXMORAAGQL-CYBMUJFWSA-N 0 0 334.420 1.035 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3cc(F)ccc3F)CCO2)c1 ZINC000173353921 441722045 /nfs/dbraw/zinc/72/20/45/441722045.db2.gz XVTJFMOIQWRASP-HNNXBMFYSA-N 0 0 335.354 1.940 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000077417310 441776606 /nfs/dbraw/zinc/77/66/06/441776606.db2.gz PXGJRCGDTBBZSD-GRAKBVBRSA-N 0 0 336.480 1.417 10 0 EDAERN Cc1cccnc1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159172176 441791631 /nfs/dbraw/zinc/79/16/31/441791631.db2.gz XIJHNGZLPLMBNL-CYBMUJFWSA-N 0 0 328.420 1.919 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)C3(c4ccccc4)CC3)CCO2)[nH]1 ZINC000173570396 441795455 /nfs/dbraw/zinc/79/54/55/441795455.db2.gz XXHJSWARGPBAOD-AWEZNQCLSA-N 0 0 326.400 1.999 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCC(=O)N3CCCCCC3)C2)cn1 ZINC000116426471 441820981 /nfs/dbraw/zinc/82/09/81/441820981.db2.gz POBBDWOMVIAPHH-HNNXBMFYSA-N 0 0 347.463 1.712 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Cc3sc(=S)[nH]c3C)CCO2)[nH]1 ZINC000173603513 441802815 /nfs/dbraw/zinc/80/28/15/441802815.db2.gz UIZSVKQKWJEBRW-VIFPVBQESA-N 0 0 339.446 1.683 10 0 EDAERN CN1CC[C@H](N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)C1=O ZINC000116278232 441807692 /nfs/dbraw/zinc/80/76/92/441807692.db2.gz QWHWIEVPKNQMKX-SFHVURJKSA-N 0 0 339.443 1.221 10 0 EDAERN O=C1NC(=O)c2cc(S(=O)(=O)N[C@H]3CCCc4occc43)ccc21 ZINC000068876643 441862465 /nfs/dbraw/zinc/86/24/65/441862465.db2.gz VMRNSKNGCDPYGB-ZDUSSCGKSA-N 0 0 346.364 1.519 10 0 EDAERN COCCN1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)C[C@H]1C ZINC000117296605 441868671 /nfs/dbraw/zinc/86/86/71/441868671.db2.gz WFGFNSGFLAZQPZ-CYBMUJFWSA-N 0 0 347.415 1.965 10 0 EDAERN CSc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000173689535 441823854 /nfs/dbraw/zinc/82/38/54/441823854.db2.gz ZUMMDWDDISFXCZ-CYBMUJFWSA-N 0 0 345.428 1.802 10 0 EDAERN Cc1ccc2cccc(NC(=O)NC[C@H](O)CN3CCOCC3)c2n1 ZINC000092759893 441826633 /nfs/dbraw/zinc/82/66/33/441826633.db2.gz DCRAGDQTFIWZFJ-HNNXBMFYSA-N 0 0 344.415 1.358 10 0 EDAERN C[NH+](C)C[C@@H]1CN(Cc2nc(CCc3ccccc3)no2)CCO1 ZINC000173701979 441827664 /nfs/dbraw/zinc/82/76/64/441827664.db2.gz HPAGTFRPZNPZOV-MRXNPFEDSA-N 0 0 330.432 1.617 10 0 EDAERN CC(C)[C@H](C)NC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000117469377 441873261 /nfs/dbraw/zinc/87/32/61/441873261.db2.gz YLTGAAMQQIVEEI-DLBZAZTESA-N 0 0 349.475 1.798 10 0 EDAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000173786875 441840971 /nfs/dbraw/zinc/84/09/71/441840971.db2.gz KDTUHVJPKCDUQU-CQSZACIVSA-N 0 0 336.399 1.939 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1CC ZINC000116769490 441842025 /nfs/dbraw/zinc/84/20/25/441842025.db2.gz FVITVFHXRQPAKK-INIZCTEOSA-N 0 0 333.432 1.584 10 0 EDAERN COC(=O)NC(C)(C)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116772889 441842268 /nfs/dbraw/zinc/84/22/68/441842268.db2.gz UOGVLQWAIJXWAP-ZDUSSCGKSA-N 0 0 337.424 1.268 10 0 EDAERN COc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(OC)c1 ZINC000173823568 441845628 /nfs/dbraw/zinc/84/56/28/441845628.db2.gz NVQGRVLJRKNLRL-CZUORRHYSA-N 0 0 334.416 1.497 10 0 EDAERN COc1ccsc1S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000122392526 441848466 /nfs/dbraw/zinc/84/84/66/441848466.db2.gz UBHUGWVTPASURC-JTQLQIEISA-N 0 0 328.419 1.374 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000117522581 441874085 /nfs/dbraw/zinc/87/40/85/441874085.db2.gz CJHMVOCFUINPPX-OAHLLOKOSA-N 0 0 333.432 1.421 10 0 EDAERN Cc1ccc(OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C ZINC000173870686 441852355 /nfs/dbraw/zinc/85/23/55/441852355.db2.gz ULILRDWFUCIKBD-AEFFLSMTSA-N 0 0 332.444 1.861 10 0 EDAERN CC(C)OCCN1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000174215638 441903038 /nfs/dbraw/zinc/90/30/38/441903038.db2.gz WBMIASMNDUUYFY-INIZCTEOSA-N 0 0 333.432 1.872 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H](C)Oc2cccnc2)C[C@H]1CC ZINC000117807432 441879797 /nfs/dbraw/zinc/87/97/97/441879797.db2.gz NUABLIYMGBZDSS-HZPDHXFCSA-N 0 0 335.448 1.808 10 0 EDAERN Cc1cnn(CCNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000117811575 441879854 /nfs/dbraw/zinc/87/98/54/441879854.db2.gz HYTAJKGSVHXQNO-UHFFFAOYSA-N 0 0 327.388 1.500 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000117813052 441879859 /nfs/dbraw/zinc/87/98/59/441879859.db2.gz MKTUWZWMTHFPRV-QGZVFWFLSA-N 0 0 340.427 1.860 10 0 EDAERN Cc1cnn(CCNC(=O)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000118063435 441884815 /nfs/dbraw/zinc/88/48/15/441884815.db2.gz ZALZMAVEQZXHJO-UHFFFAOYSA-N 0 0 329.404 1.149 10 0 EDAERN Cc1cnn(CCNC(=O)NCCn2c(=O)oc3ccccc32)c1 ZINC000118072936 441886331 /nfs/dbraw/zinc/88/63/31/441886331.db2.gz SNRCHKKOISFBNB-UHFFFAOYSA-N 0 0 329.360 1.099 10 0 EDAERN Cn1ncc(NC(=O)c2csc(-c3cccnc3)n2)c1C(N)=O ZINC000118137302 441892300 /nfs/dbraw/zinc/89/23/00/441892300.db2.gz SYUSPSRXPYSTDJ-UHFFFAOYSA-N 0 0 328.357 1.290 10 0 EDAERN Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093885379 441898544 /nfs/dbraw/zinc/89/85/44/441898544.db2.gz QZHGFEZGRGTBRX-HOCLYGCPSA-N 0 0 346.818 1.972 10 0 EDAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1 ZINC000119896798 441972491 /nfs/dbraw/zinc/97/24/91/441972491.db2.gz UWUSAIDBYBUASD-LLVKDONJSA-N 0 0 333.413 1.837 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N2CCc3n[nH]cc3C2)[C@@H]1c1ccc(F)cc1 ZINC000095442265 441928564 /nfs/dbraw/zinc/92/85/64/441928564.db2.gz VHUKWMDKMCVKBB-YOEHRIQHSA-N 0 0 342.374 1.653 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CCOC)ncn1 ZINC000174543382 441936457 /nfs/dbraw/zinc/93/64/57/441936457.db2.gz ZMVJDIXIAWNYDZ-STQMWFEESA-N 0 0 336.440 1.211 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)CC3(O)CCCC3)CC2)cn1 ZINC000174655165 441951499 /nfs/dbraw/zinc/95/14/99/441951499.db2.gz ZFQQQUHYRSVIED-UHFFFAOYSA-N 0 0 334.464 1.633 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000150994656 441988190 /nfs/dbraw/zinc/98/81/90/441988190.db2.gz YGKNVLRWEUYNOV-SNVBAGLBSA-N 0 0 327.340 1.921 10 0 EDAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@H]1CO ZINC000151134332 442011369 /nfs/dbraw/zinc/01/13/69/442011369.db2.gz OLBMZNLXTLDJBE-DZGCQCFKSA-N 0 0 340.445 1.022 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3nc([C@H](C)OC)no3)CC2)n1 ZINC000175194913 442015857 /nfs/dbraw/zinc/01/58/57/442015857.db2.gz QWIDIFWLHGAVTH-LBPRGKRZSA-N 0 0 348.407 1.288 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@H](C)C(C)C)C2=O)n(C)n1 ZINC000175209238 442017698 /nfs/dbraw/zinc/01/76/98/442017698.db2.gz IBQHFWDPOPULKN-JSGCOSHPSA-N 0 0 335.452 1.815 10 0 EDAERN C[C@@H](CNS(=O)(=O)/C=C/c1ccc(F)cc1)N1CCOCC1 ZINC000175214881 442019664 /nfs/dbraw/zinc/01/96/64/442019664.db2.gz RAOJFSRFDPKSKP-VKUYVZBCSA-N 0 0 328.409 1.437 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1nc(C)c(Cl)c1C ZINC000151271422 442035010 /nfs/dbraw/zinc/03/50/10/442035010.db2.gz AQVDEXJCBLHJDD-LLVKDONJSA-N 0 0 336.827 1.959 10 0 EDAERN CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000120544363 442092576 /nfs/dbraw/zinc/09/25/76/442092576.db2.gz MUVIAQOXNWJCBX-RDJZCZTQSA-N 0 0 339.480 1.500 10 0 EDAERN CC[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1cccc(F)c1 ZINC000175610966 442092828 /nfs/dbraw/zinc/09/28/28/442092828.db2.gz OBCMRAHBWWTSHX-HOCLYGCPSA-N 0 0 339.411 1.613 10 0 EDAERN COCc1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)no1 ZINC000079441269 442048801 /nfs/dbraw/zinc/04/88/01/442048801.db2.gz CTVKPIFKESMVOQ-GFCCVEGCSA-N 0 0 336.369 1.470 10 0 EDAERN O=C(NCc1ccn(C2CCCC2)n1)N[C@H]1CCCn2ncnc21 ZINC000151372410 442050774 /nfs/dbraw/zinc/05/07/74/442050774.db2.gz BUKOUAGPSUQMBR-AWEZNQCLSA-N 0 0 329.408 1.924 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCS(C)(=O)=O)C12CCCC2 ZINC000151411257 442056838 /nfs/dbraw/zinc/05/68/38/442056838.db2.gz RKFMNRXOLXJIII-QWHCGFSZSA-N 0 0 332.466 1.410 10 0 EDAERN Cc1nc(CCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)sc1C ZINC000151433687 442060898 /nfs/dbraw/zinc/06/08/98/442060898.db2.gz RKSCRUZHSNAWRW-AWEZNQCLSA-N 0 0 346.456 1.698 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)c2c(C)noc2C)C[C@H]1C ZINC000151451175 442064483 /nfs/dbraw/zinc/06/44/83/442064483.db2.gz WQTXYOSPOBFHGO-QWHCGFSZSA-N 0 0 338.452 1.757 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC1(C2CC2)CC1 ZINC000120479878 442080246 /nfs/dbraw/zinc/08/02/46/442080246.db2.gz FUCGKJBCCUWXIW-LLVKDONJSA-N 0 0 347.440 1.420 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162313183 442082309 /nfs/dbraw/zinc/08/23/09/442082309.db2.gz RYFSWPBGRDVPRN-SWLSCSKDSA-N 0 0 340.445 1.954 10 0 EDAERN O=C(CS(=O)(=O)C1CCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151560398 442084851 /nfs/dbraw/zinc/08/48/51/442084851.db2.gz XXATXPAPTFOOIO-CJNGLKHVSA-N 0 0 329.462 1.497 10 0 EDAERN CCC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1 ZINC000096269323 442109244 /nfs/dbraw/zinc/10/92/44/442109244.db2.gz JLCFFGHUKIXKOV-LBPRGKRZSA-N 0 0 329.356 1.704 10 0 EDAERN C[C@H]1CN(C(=O)NCCCOC2CCCC2)C[C@@H]1N1CCOCC1 ZINC000175731729 442112936 /nfs/dbraw/zinc/11/29/36/442112936.db2.gz NWPITPUPTSLEPW-RDJZCZTQSA-N 0 0 339.480 1.698 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)c1 ZINC000126487946 442116405 /nfs/dbraw/zinc/11/64/05/442116405.db2.gz OHAYKAJNHBGMKQ-UHFFFAOYSA-N 0 0 346.435 1.269 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000175888162 442141188 /nfs/dbraw/zinc/14/11/88/442141188.db2.gz ATWVPJZBMLLBDE-OLZOCXBDSA-N 0 0 335.408 1.216 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000175902304 442142882 /nfs/dbraw/zinc/14/28/82/442142882.db2.gz NRTIUXLCQIGIFL-MBNYWOFBSA-N 0 0 338.429 1.387 10 0 EDAERN COCc1cccc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000175665329 442101519 /nfs/dbraw/zinc/10/15/19/442101519.db2.gz UUJXNIGIWSNAGP-YJBOKZPZSA-N 0 0 347.459 1.695 10 0 EDAERN CCc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1CC ZINC000162556256 442102780 /nfs/dbraw/zinc/10/27/80/442102780.db2.gz SNFCZWACTAKBDC-AWEZNQCLSA-N 0 0 334.445 1.696 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ncn(C)n1 ZINC000120624711 442106059 /nfs/dbraw/zinc/10/60/59/442106059.db2.gz BSKUETFUDUAQSF-CQSZACIVSA-N 0 0 349.822 1.539 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ncccc3OC(C)C)CCO2)[nH]1 ZINC000176071887 442170752 /nfs/dbraw/zinc/17/07/52/442170752.db2.gz CCPDNXUCNHPOCJ-CYBMUJFWSA-N 0 0 345.403 1.763 10 0 EDAERN CNC(=O)c1cccc(CCNC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000176103615 442176237 /nfs/dbraw/zinc/17/62/37/442176237.db2.gz WZBOYWJCMJIFAD-HZPDHXFCSA-N 0 0 333.432 1.439 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000176103716 442176540 /nfs/dbraw/zinc/17/65/40/442176540.db2.gz OHZWZYDMUIZROV-QGZVFWFLSA-N 0 0 339.395 1.986 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NC[C@H](C)SC)CC2)cn1 ZINC000163726727 442180558 /nfs/dbraw/zinc/18/05/58/442180558.db2.gz NJZUOZVSBKPXTG-AWEZNQCLSA-N 0 0 339.509 1.872 10 0 EDAERN Cc1nncn1CCNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000152212646 442182246 /nfs/dbraw/zinc/18/22/46/442182246.db2.gz SFSUWQWWAIKTKB-ZDUSSCGKSA-N 0 0 337.424 1.350 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](C)C3CCOCC3)CCO2)[nH]1 ZINC000121213360 442192810 /nfs/dbraw/zinc/19/28/10/442192810.db2.gz YYZOECUVLUDYSF-DGCLKSJQSA-N 0 0 337.424 1.265 10 0 EDAERN O=C1CNC(=O)N1CCCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121257049 442196970 /nfs/dbraw/zinc/19/69/70/442196970.db2.gz STHHTUFDJGEQCU-FZMZJTMJSA-N 0 0 339.342 1.014 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000176247866 442200065 /nfs/dbraw/zinc/20/00/65/442200065.db2.gz VHWOLUKBSZFWEU-QHCPKHFHSA-N 0 0 334.445 1.771 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000163246105 442153072 /nfs/dbraw/zinc/15/30/72/442153072.db2.gz CSXQGZRBEKDCOP-SUMWQHHRSA-N 0 0 345.399 1.901 10 0 EDAERN O=C(Nc1ccccc1OC1CCCC1)C(=O)N1CCC[C@H]1CO ZINC000120943972 442155451 /nfs/dbraw/zinc/15/54/51/442155451.db2.gz ABAOJQSQTIVFBD-ZDUSSCGKSA-N 0 0 332.400 1.930 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cccc(N(C)C)n2)C[C@H]1N1CCOCC1 ZINC000153023098 442256536 /nfs/dbraw/zinc/25/65/36/442256536.db2.gz DTQPKDOMPIYADQ-UONOGXRCSA-N 0 0 333.436 1.332 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(CCOC)nn1C ZINC000127589970 442214175 /nfs/dbraw/zinc/21/41/75/442214175.db2.gz MHVODLRCRYJYJB-GFCCVEGCSA-N 0 0 347.423 1.420 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000166769785 442218292 /nfs/dbraw/zinc/21/82/92/442218292.db2.gz JEZKFODOACFRSJ-LLVKDONJSA-N 0 0 344.198 1.669 10 0 EDAERN COCCN1CCN(C(=O)NCCc2cc(F)ccc2F)C[C@H]1C ZINC000176456765 442224266 /nfs/dbraw/zinc/22/42/66/442224266.db2.gz JIRASBISPNRWSV-CYBMUJFWSA-N 0 0 341.402 1.869 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2c[nH]nc2C)N2CCOCC2)s1 ZINC000176568249 442235808 /nfs/dbraw/zinc/23/58/08/442235808.db2.gz ZNGCUNVCHGUBMW-AWEZNQCLSA-N 0 0 334.445 1.891 10 0 EDAERN CCOc1ncccc1CNC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000152677932 442236672 /nfs/dbraw/zinc/23/66/72/442236672.db2.gz OULAVIIIZQREHV-ZDUSSCGKSA-N 0 0 344.419 1.969 10 0 EDAERN COC(=O)c1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000176832242 442262072 /nfs/dbraw/zinc/26/20/72/442262072.db2.gz GEQVEJBKCCBYPP-CYBMUJFWSA-N 0 0 329.360 1.399 10 0 EDAERN CC[C@@H](CCO)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000176876525 442265926 /nfs/dbraw/zinc/26/59/26/442265926.db2.gz LTDZRYVVNBCRHT-STQMWFEESA-N 0 0 342.461 1.859 10 0 EDAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)C1(C)C ZINC000153207584 442267544 /nfs/dbraw/zinc/26/75/44/442267544.db2.gz GSJYAISSOAYOOP-BYCMXARLSA-N 0 0 348.447 1.835 10 0 EDAERN CN(C)C(=O)c1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000153222684 442269227 /nfs/dbraw/zinc/26/92/27/442269227.db2.gz GZRSVMHXPXYTBS-HOTGVXAUSA-N 0 0 333.432 1.739 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCN1CCOCC1(C)C ZINC000170866548 442280210 /nfs/dbraw/zinc/28/02/10/442280210.db2.gz NLNGLIRTBCFKII-AWEZNQCLSA-N 0 0 348.447 1.424 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176993698 442281537 /nfs/dbraw/zinc/28/15/37/442281537.db2.gz KDKLLNOQMOLPHE-DOMZBBRYSA-N 0 0 344.864 1.681 10 0 EDAERN CCNC(=O)CCCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000170900505 442285506 /nfs/dbraw/zinc/28/55/06/442285506.db2.gz KDPGAXRUYAWIPV-CYBMUJFWSA-N 0 0 338.429 1.328 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2cccnc2N(C)C)C1 ZINC000171008727 442298913 /nfs/dbraw/zinc/29/89/13/442298913.db2.gz WPKGTMZYJVLXPM-OAHLLOKOSA-N 0 0 347.463 1.738 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1F)c1nnc2n1CCCC2 ZINC000153068039 442259707 /nfs/dbraw/zinc/25/97/07/442259707.db2.gz GEOFEYNELLDOFU-BXUZGUMPSA-N 0 0 347.394 1.847 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1nnc2n1CCCC2)NC1CCOCC1 ZINC000171138904 442319134 /nfs/dbraw/zinc/31/91/34/442319134.db2.gz QHAOAOLDXGSXNZ-OAHLLOKOSA-N 0 0 347.463 1.437 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(CC(F)(F)F)CC1 ZINC000177316158 442328068 /nfs/dbraw/zinc/32/80/68/442328068.db2.gz ZHSTXOSHONNPNW-SNVBAGLBSA-N 0 0 332.330 1.003 10 0 EDAERN O=C(CCNC(=O)N[C@H]1CCCn2ncnc21)NCc1ccccc1 ZINC000177332417 442329634 /nfs/dbraw/zinc/32/96/34/442329634.db2.gz XHAPOAMOKTZOJE-AWEZNQCLSA-N 0 0 342.403 1.119 10 0 EDAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177362416 442332453 /nfs/dbraw/zinc/33/24/53/442332453.db2.gz LRVIITVDLXNBRQ-KGLIPLIRSA-N 0 0 348.451 1.451 10 0 EDAERN CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000171294625 442339466 /nfs/dbraw/zinc/33/94/66/442339466.db2.gz FLPOBNKJDGIMKB-HNNXBMFYSA-N 0 0 344.415 1.331 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)no1 ZINC000171335504 442341758 /nfs/dbraw/zinc/34/17/58/442341758.db2.gz DMJQSJXWQXBYHS-NSHDSACASA-N 0 0 333.348 1.094 10 0 EDAERN CN(Cc1nc2c(s1)CCCC2)C(=O)NC[C@H]1CN(C)CCO1 ZINC000177485945 442348668 /nfs/dbraw/zinc/34/86/68/442348668.db2.gz VYVMKKKCNIIUSJ-LBPRGKRZSA-N 0 0 338.477 1.494 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(CC(=O)N(C)Cc3ccco3)C2)no1 ZINC000171503750 442353387 /nfs/dbraw/zinc/35/33/87/442353387.db2.gz HAGDXLBUQPBXFC-AWEZNQCLSA-N 0 0 332.404 1.884 10 0 EDAERN CCC[C@H](C)CS(=O)(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000129409516 442315270 /nfs/dbraw/zinc/31/52/70/442315270.db2.gz MQKDHHLKXGRNBB-NWDGAFQWSA-N 0 0 330.454 1.615 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1)CC2 ZINC000177643549 442366076 /nfs/dbraw/zinc/36/60/76/442366076.db2.gz NUQRGQKFHBFFEJ-LBPRGKRZSA-N 0 0 331.351 1.049 10 0 EDAERN CC(=O)NCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171796015 442381666 /nfs/dbraw/zinc/38/16/66/442381666.db2.gz SHLOMNGNXKTULE-DOTOQJQBSA-N 0 0 331.416 1.239 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1cccnc1 ZINC000155273315 442384685 /nfs/dbraw/zinc/38/46/85/442384685.db2.gz MRIICAICDODOGP-YPMHNXCESA-N 0 0 331.376 1.238 10 0 EDAERN CCOCCN1CCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000171897747 442388076 /nfs/dbraw/zinc/38/80/76/442388076.db2.gz UYBBNYLUHGOMHW-INIZCTEOSA-N 0 0 333.432 1.874 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000171966826 442394159 /nfs/dbraw/zinc/39/41/59/442394159.db2.gz DQPZZAKEDTVCQA-SWLSCSKDSA-N 0 0 344.415 1.466 10 0 EDAERN CC(C)c1ccc([C@H](C)NC(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000171986224 442395953 /nfs/dbraw/zinc/39/59/53/442395953.db2.gz PXZVJQHCJPSGNV-ZDUSSCGKSA-N 0 0 339.399 1.892 10 0 EDAERN C[C@H](NC(=O)NCc1ccn2ccnc2c1)c1nnc2n1CCCC2 ZINC000177927184 442396427 /nfs/dbraw/zinc/39/64/27/442396427.db2.gz GKCFAKILGDFREY-LBPRGKRZSA-N 0 0 339.403 1.823 10 0 EDAERN Cc1ccc([C@H](CNC(=O)CCn2ccnn2)N2CCOCC2)s1 ZINC000177971534 442398535 /nfs/dbraw/zinc/39/85/35/442398535.db2.gz TXRQJYRPJPNVIQ-AWEZNQCLSA-N 0 0 349.460 1.228 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)Cn2nc(C)c(Cl)c2C)n1 ZINC000155463769 442400468 /nfs/dbraw/zinc/40/04/68/442400468.db2.gz YOPIZFZXXCPXBG-NSHDSACASA-N 0 0 339.783 1.445 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@H]3COc4ccccc43)CC2)no1 ZINC000172021679 442400569 /nfs/dbraw/zinc/40/05/69/442400569.db2.gz UZDYNAQOMRSPCY-HNNXBMFYSA-N 0 0 342.399 1.589 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)Cc2noc3ccccc32)n1 ZINC000155487299 442401762 /nfs/dbraw/zinc/40/17/62/442401762.db2.gz WHNNFTWZUQGFKA-CYBMUJFWSA-N 0 0 328.328 1.662 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N[C@H](C)COCc2ccccc2)C1 ZINC000178020392 442402241 /nfs/dbraw/zinc/40/22/41/442402241.db2.gz ZAMYHBVANNGCRD-ZBFHGGJFSA-N 0 0 333.432 1.902 10 0 EDAERN O=C(Nc1cccc(OCCF)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130853693 442358349 /nfs/dbraw/zinc/35/83/49/442358349.db2.gz PRPDJYOUTXQMPY-SWLSCSKDSA-N 0 0 338.379 1.641 10 0 EDAERN COc1ccccc1OCCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171578489 442358520 /nfs/dbraw/zinc/35/85/20/442358520.db2.gz DENMCIGUZNKBMJ-AWEZNQCLSA-N 0 0 330.388 1.919 10 0 EDAERN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000171596626 442360942 /nfs/dbraw/zinc/36/09/42/442360942.db2.gz SWGMTSFKZRSGNG-OCCSQVGLSA-N 0 0 328.420 1.276 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cccc(-n3ccnn3)c2)n1 ZINC000155504062 442403704 /nfs/dbraw/zinc/40/37/04/442403704.db2.gz DZGOFNWOEBANCS-AWEZNQCLSA-N 0 0 340.343 1.172 10 0 EDAERN O=C(NC1CCSCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172131212 442412587 /nfs/dbraw/zinc/41/25/87/442412587.db2.gz GSSASUYSOKXCJA-QGZVFWFLSA-N 0 0 349.500 1.943 10 0 EDAERN O=C(C[C@@H]1CCCO1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000172233714 442427297 /nfs/dbraw/zinc/42/72/97/442427297.db2.gz SVQCCHGPEUTNIE-WMZOPIPTSA-N 0 0 348.443 1.140 10 0 EDAERN CCOc1cc(/C=C/C(=O)N2CCC[C@H](NC(C)=O)C2)ccc1O ZINC000179436558 442457556 /nfs/dbraw/zinc/45/75/56/442457556.db2.gz VLPDXSNGCMQKDA-HEWZJLJBSA-N 0 0 332.400 1.931 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cnn(CCOC)c2)C[C@H]1C ZINC000172272616 442433907 /nfs/dbraw/zinc/43/39/07/442433907.db2.gz AABNORIGMSMSNM-CQSZACIVSA-N 0 0 339.440 1.104 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(OC)ccc1OC)CC2 ZINC000172290075 442436063 /nfs/dbraw/zinc/43/60/63/442436063.db2.gz NWDINXNTCMSXRB-LLVKDONJSA-N 0 0 345.403 1.994 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000186221144 442490286 /nfs/dbraw/zinc/49/02/86/442490286.db2.gz ZJNXKEISIOUIPW-OAHLLOKOSA-N 0 0 331.420 1.939 10 0 EDAERN CC(=O)NC1CN(C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000191728665 442499290 /nfs/dbraw/zinc/49/92/90/442499290.db2.gz KCMHXUHOYSGJND-GFCCVEGCSA-N 0 0 332.322 1.265 10 0 EDAERN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178837902 442499722 /nfs/dbraw/zinc/49/97/22/442499722.db2.gz TVWDGXRHOGXSBU-DOTOQJQBSA-N 0 0 347.459 1.401 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)COc3cccc(OC)c3)CCO2)cn1 ZINC000191759663 442506259 /nfs/dbraw/zinc/50/62/59/442506259.db2.gz YNRXMGQXQUTYOY-KRWDZBQOSA-N 0 0 345.399 1.891 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)C(C)C ZINC000178860987 442506329 /nfs/dbraw/zinc/50/63/29/442506329.db2.gz PYTZAFUOFQQIGP-CVEARBPZSA-N 0 0 347.459 1.636 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000179818730 442507465 /nfs/dbraw/zinc/50/74/65/442507465.db2.gz FYTNXJFMFHEYDZ-JKSUJKDBSA-N 0 0 340.851 1.679 10 0 EDAERN CNC(=O)[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCCC1)C(C)C ZINC000178712276 442460871 /nfs/dbraw/zinc/46/08/71/442460871.db2.gz WMVOTBLYNMUDGJ-SWLSCSKDSA-N 0 0 325.453 1.348 10 0 EDAERN CS(=O)(=O)CCCCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000186310968 442509057 /nfs/dbraw/zinc/50/90/57/442509057.db2.gz FUZDJGSYYBWURD-ZBFHGGJFSA-N 0 0 346.493 1.538 10 0 EDAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186185618 442480673 /nfs/dbraw/zinc/48/06/73/442480673.db2.gz LNHXZZLGRIYUFZ-UHFFFAOYSA-N 0 0 342.848 1.938 10 0 EDAERN Cn1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000180063154 442534499 /nfs/dbraw/zinc/53/44/99/442534499.db2.gz DZDWAEHLENHGRQ-INIZCTEOSA-N 0 0 340.427 1.634 10 0 EDAERN O=C(c1csc(-c2ccoc2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172755468 442534747 /nfs/dbraw/zinc/53/47/47/442534747.db2.gz UMAPKWJBMWFHGG-CYBMUJFWSA-N 0 0 333.413 1.950 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1F ZINC000172756397 442534781 /nfs/dbraw/zinc/53/47/81/442534781.db2.gz NPCKTDHJKUMDLP-CQSZACIVSA-N 0 0 335.379 1.331 10 0 EDAERN O=C(COCCOc1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172760272 442537262 /nfs/dbraw/zinc/53/72/62/442537262.db2.gz GHFGTIIZZFCQKA-INIZCTEOSA-N 0 0 334.416 1.015 10 0 EDAERN Cc1cc(N2CCC[C@H](Nc3ncnc4nc[nH]c43)C2=O)n(C)n1 ZINC000172809930 442546907 /nfs/dbraw/zinc/54/69/07/442546907.db2.gz PTMWBDWMEMNGNA-JTQLQIEISA-N 0 0 326.364 1.002 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1Cl ZINC000179851722 442512031 /nfs/dbraw/zinc/51/20/31/442512031.db2.gz WFRZISGJIXMGSW-LBPRGKRZSA-N 0 0 347.806 1.870 10 0 EDAERN COCCN1CCN(C(=O)c2cnc(-c3ccncc3)s2)C[C@@H]1C ZINC000172933924 442570456 /nfs/dbraw/zinc/57/04/56/442570456.db2.gz HWYGDRWVYFCDQZ-ZDUSSCGKSA-N 0 0 346.456 1.998 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000180271593 442571306 /nfs/dbraw/zinc/57/13/06/442571306.db2.gz XVWPXTQESQBZQG-MRXNPFEDSA-N 0 0 338.363 1.841 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1c[nH]c2cccc(F)c21 ZINC000192024946 442572069 /nfs/dbraw/zinc/57/20/69/442572069.db2.gz USSRZYYPAMFNLS-LLVKDONJSA-N 0 0 335.364 1.712 10 0 EDAERN Cc1ncc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c(C)n1 ZINC000180281140 442573635 /nfs/dbraw/zinc/57/36/35/442573635.db2.gz KZKINQKOWGMSRX-SFHVURJKSA-N 0 0 340.427 1.585 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135266297 442574285 /nfs/dbraw/zinc/57/42/85/442574285.db2.gz DPZKWCMFWFQKQW-OAHLLOKOSA-N 0 0 347.463 1.600 10 0 EDAERN C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1nnc2n1CCCC2 ZINC000135348846 442584129 /nfs/dbraw/zinc/58/41/29/442584129.db2.gz SVKXXHICYOVKBK-NSHDSACASA-N 0 0 339.399 1.990 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)NCCOCc2ccc(OC)cc2)C1 ZINC000180358767 442586133 /nfs/dbraw/zinc/58/61/33/442586133.db2.gz MRAXIDIWZKSVFA-MRXNPFEDSA-N 0 0 335.448 1.995 10 0 EDAERN Cc1cc(Br)ccc1NC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179176163 442589704 /nfs/dbraw/zinc/58/97/04/442589704.db2.gz PBZXXFQXPURAOG-VXGBXAGGSA-N 0 0 343.221 1.124 10 0 EDAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCC(Nc2cccnn2)CC1 ZINC000135388561 442589820 /nfs/dbraw/zinc/58/98/20/442589820.db2.gz QNHQSWRFHLGFKU-CYBMUJFWSA-N 0 0 326.404 1.723 10 0 EDAERN CCOc1c(F)cccc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173093002 442602482 /nfs/dbraw/zinc/60/24/82/442602482.db2.gz RCPUFXHBUHNZTE-CYBMUJFWSA-N 0 0 334.351 1.865 10 0 EDAERN Cn1nc(Br)cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000192155166 442604640 /nfs/dbraw/zinc/60/46/40/442604640.db2.gz SQPVMFLRLZOUBX-HZMBPMFUSA-N 0 0 342.237 1.950 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCCC2)O1)N[C@H]1CCc2ncnn2C1 ZINC000180466145 442606878 /nfs/dbraw/zinc/60/68/78/442606878.db2.gz BBUXVWNJMNYNNJ-UONOGXRCSA-N 0 0 349.435 1.358 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1F)C(C)C ZINC000179081234 442568520 /nfs/dbraw/zinc/56/85/20/442568520.db2.gz HNORYMLYPDEAJW-LLVKDONJSA-N 0 0 329.759 1.304 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC[C@@H]1CCO ZINC000180744616 442654107 /nfs/dbraw/zinc/65/41/07/442654107.db2.gz RPMRZQBQOVKAFN-OLZOCXBDSA-N 0 0 337.424 1.206 10 0 EDAERN CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)CC)cc1)N(C)C ZINC000180739893 442654391 /nfs/dbraw/zinc/65/43/91/442654391.db2.gz LPIVOPCVJYMDED-OAHLLOKOSA-N 0 0 326.462 1.827 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cccc(C(=O)NC)c2)C12CCOCC2 ZINC000187143240 442655772 /nfs/dbraw/zinc/65/57/72/442655772.db2.gz QCWGDZMCKCBJCC-HOTGVXAUSA-N 0 0 346.427 1.750 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)o1 ZINC000192518760 442656233 /nfs/dbraw/zinc/65/62/33/442656233.db2.gz KDOSIZIGOOFJKK-LLVKDONJSA-N 0 0 341.367 1.923 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@@H](NC(C)=O)C2)ccc1C ZINC000180533377 442618743 /nfs/dbraw/zinc/61/87/43/442618743.db2.gz YIAWJGGGUJFABP-MRXNPFEDSA-N 0 0 331.416 1.623 10 0 EDAERN COC(=O)[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc2ccccc2c1 ZINC000180561107 442622421 /nfs/dbraw/zinc/62/24/21/442622421.db2.gz HOMQXHSASMKOMG-GOEBONIOSA-N 0 0 326.352 1.306 10 0 EDAERN Cc1nc(C)c(CCC(=O)N2CC[C@H](Oc3cccnc3)C2)c(=O)[nH]1 ZINC000135728704 442628335 /nfs/dbraw/zinc/62/83/35/442628335.db2.gz BBJSOLJAGHFIOE-HNNXBMFYSA-N 0 0 342.399 1.394 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000181041415 442677423 /nfs/dbraw/zinc/67/74/23/442677423.db2.gz FPTZRYYNGOPXBL-NEPJUHHUSA-N 0 0 343.387 1.078 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cnc(Cl)cn3)CC2)n1 ZINC000192740738 442682560 /nfs/dbraw/zinc/68/25/60/442682560.db2.gz ARUSZPVJTLTRJC-SECBINFHSA-N 0 0 336.783 1.340 10 0 EDAERN COc1cccc2[nH]cc(CC(=O)N3CC[C@@H](N4CCOCC4)C3)c21 ZINC000181275199 442687746 /nfs/dbraw/zinc/68/77/46/442687746.db2.gz ZBFWQBHMDAUPHB-OAHLLOKOSA-N 0 0 343.427 1.652 10 0 EDAERN O=C(NCCCn1ccnn1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000187797348 442692539 /nfs/dbraw/zinc/69/25/39/442692539.db2.gz VYVZGWRDZYDFSI-ZIAGYGMSSA-N 0 0 335.433 1.147 10 0 EDAERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)OCc1ccccc1 ZINC000181452672 442698046 /nfs/dbraw/zinc/69/80/46/442698046.db2.gz RPAOJTSTJUYAAX-KRWDZBQOSA-N 0 0 329.400 1.717 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000193018056 442705936 /nfs/dbraw/zinc/70/59/36/442705936.db2.gz MZZWEGWHNGNYOA-ZYHUDNBSSA-N 0 0 325.796 1.649 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000187188184 442659087 /nfs/dbraw/zinc/65/90/87/442659087.db2.gz VIJDBBXGBIAJJH-BFHYXJOUSA-N 0 0 347.444 1.072 10 0 EDAERN O=S(=O)(CCN1CC[C@@H](N2CCOCC2)C1)c1ccc(F)cc1 ZINC000192603133 442667531 /nfs/dbraw/zinc/66/75/31/442667531.db2.gz XHQRFOSUFBKXKT-OAHLLOKOSA-N 0 0 342.436 1.006 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](CCO)c1ccco1)CC2 ZINC000187288755 442667676 /nfs/dbraw/zinc/66/76/76/442667676.db2.gz FTUAMDLGMVFUOA-NEPJUHHUSA-N 0 0 333.392 1.171 10 0 EDAERN CCCn1cc(C(=O)N2CCN(c3nccc(OCC)n3)CC2)cn1 ZINC000180985174 442673468 /nfs/dbraw/zinc/67/34/68/442673468.db2.gz HEZHEVUDHFXGIK-UHFFFAOYSA-N 0 0 344.419 1.444 10 0 EDAERN CCCCOC[C@H](O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000193379699 442737410 /nfs/dbraw/zinc/73/74/10/442737410.db2.gz RQNWISFAXINNJX-SJORKVTESA-N 0 0 325.453 1.378 10 0 EDAERN CCCn1ccc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(C)=O)cc21 ZINC000193406211 442739759 /nfs/dbraw/zinc/73/97/59/442739759.db2.gz JUHSNQSYBYKTCG-NVXWUHKLSA-N 0 0 329.400 1.972 10 0 EDAERN COc1ccccc1C[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)C(C)C ZINC000193435015 442742792 /nfs/dbraw/zinc/74/27/92/442742792.db2.gz KAIUDBXIIPNKBC-BRWVUGGUSA-N 0 0 348.443 1.360 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)c1cccs1 ZINC000193527489 442751328 /nfs/dbraw/zinc/75/13/28/442751328.db2.gz PSSZIUWTRLDPEL-MRVPVSSYSA-N 0 0 335.360 1.802 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000193567759 442754364 /nfs/dbraw/zinc/75/43/64/442754364.db2.gz VAPGZZLTDCCDJM-UKRRQHHQSA-N 0 0 334.420 1.388 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000188082233 442709178 /nfs/dbraw/zinc/70/91/78/442709178.db2.gz JOLRNEZCZIKUFC-PRHODGIISA-N 0 0 331.199 1.764 10 0 EDAERN CC(C)S(=O)(=O)CCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188097436 442710900 /nfs/dbraw/zinc/71/09/00/442710900.db2.gz RDWCAWMJFDCWAI-GJZGRUSLSA-N 0 0 331.503 1.969 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000188098365 442711512 /nfs/dbraw/zinc/71/15/12/442711512.db2.gz NNRNTVSDBSTTRZ-JTQLQIEISA-N 0 0 334.326 1.501 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)CC1CCOCC1)CC2 ZINC000181727067 442712716 /nfs/dbraw/zinc/71/27/16/442712716.db2.gz NPXZYMOHGFQQFC-CYBMUJFWSA-N 0 0 342.465 1.062 10 0 EDAERN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000182570093 442788002 /nfs/dbraw/zinc/78/80/02/442788002.db2.gz RIGREQDKHHQIRV-NSHDSACASA-N 0 0 334.376 1.788 10 0 EDAERN NC(=O)c1cccc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000182342126 442758721 /nfs/dbraw/zinc/75/87/21/442758721.db2.gz MRJSWUJRWLGHCE-HNNXBMFYSA-N 0 0 327.388 1.945 10 0 EDAERN O=C(NC1CN(C(=O)c2ccnc(OCC(F)F)c2)C1)C1CCC1 ZINC000188527828 442760416 /nfs/dbraw/zinc/76/04/16/442760416.db2.gz CXEJLTDMIMZXTO-UHFFFAOYSA-N 0 0 339.342 1.466 10 0 EDAERN COCc1noc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000182370662 442761061 /nfs/dbraw/zinc/76/10/61/442761061.db2.gz MVFFSTRRYKWWBL-NSHDSACASA-N 0 0 326.397 1.705 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(C)c(F)cc2F)C[C@@H]1C ZINC000246289218 442769605 /nfs/dbraw/zinc/76/96/05/442769605.db2.gz ABXKMGURTPMYGT-LBPRGKRZSA-N 0 0 348.415 1.614 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000188633903 442775675 /nfs/dbraw/zinc/77/56/75/442775675.db2.gz IXHCQRWKKYNBPP-NWDGAFQWSA-N 0 0 337.386 1.937 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2Cc3ccccc3O2)C[C@@H]1CC ZINC000247062162 442832522 /nfs/dbraw/zinc/83/25/22/442832522.db2.gz PGNPBTRBDIVGIZ-FUHWJXTLSA-N 0 0 332.444 1.949 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000188774620 442809933 /nfs/dbraw/zinc/80/99/33/442809933.db2.gz SIZPTLPGXXGTDN-ZFWWWQNUSA-N 0 0 340.445 1.037 10 0 EDAERN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000188781559 442812142 /nfs/dbraw/zinc/81/21/42/442812142.db2.gz WHZHZIVWTFZTEN-AAEUAGOBSA-N 0 0 326.418 1.657 10 0 EDAERN CCc1nc(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)cs1 ZINC000188835905 442823667 /nfs/dbraw/zinc/82/36/67/442823667.db2.gz NKJOZHFFLIRMCD-UHFFFAOYSA-N 0 0 336.461 1.558 10 0 EDAERN CCOc1cccc(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188902499 442839452 /nfs/dbraw/zinc/83/94/52/442839452.db2.gz BGYIINZBAWNYON-UHFFFAOYSA-N 0 0 345.443 1.938 10 0 EDAERN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188906522 442840656 /nfs/dbraw/zinc/84/06/56/442840656.db2.gz SQJJMTHRWKHUAO-JTQLQIEISA-N 0 0 334.420 1.705 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)C(=O)c1ccccc1 ZINC000194073204 442840836 /nfs/dbraw/zinc/84/08/36/442840836.db2.gz FEHVLDLWJNMJPC-CQSZACIVSA-N 0 0 329.377 1.904 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C[C@@H]1C ZINC000247186254 442840142 /nfs/dbraw/zinc/84/01/42/442840142.db2.gz SBSRPIWEDMDZFB-HDMKZQKVSA-N 0 0 348.443 1.784 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)CCOCC(F)(F)C(F)F)C1 ZINC000188910683 442841576 /nfs/dbraw/zinc/84/15/76/442841576.db2.gz VWMTZWKTWXPJCX-JTQLQIEISA-N 0 0 328.306 1.421 10 0 EDAERN O=C(CC1OCCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188935000 442845296 /nfs/dbraw/zinc/84/52/96/442845296.db2.gz ZRAGNNKDMVXNKX-MRXNPFEDSA-N 0 0 334.416 1.017 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)C(=O)c3ccccc3)CC2)cn1 ZINC000194269149 442869067 /nfs/dbraw/zinc/86/90/67/442869067.db2.gz ZXHLBAUMZTXSNL-UHFFFAOYSA-N 0 0 340.427 1.820 10 0 EDAERN O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CNC(=O)C1 ZINC000171303548 318433179 /nfs/dbraw/zinc/43/31/79/318433179.db2.gz YGVNZWQPMBOHRR-SNVBAGLBSA-N 0 0 326.318 1.989 10 0 EDAERN O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000183052582 442870728 /nfs/dbraw/zinc/87/07/28/442870728.db2.gz SSCADXSQALPZJX-CVEARBPZSA-N 0 0 342.399 1.751 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1cc2c(cc1Br)OCO2 ZINC000189073596 442871118 /nfs/dbraw/zinc/87/11/18/442871118.db2.gz HVAOUUWKCWHWTE-SECBINFHSA-N 0 0 341.205 1.888 10 0 EDAERN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCCNC(=O)[C@H]1C ZINC000189070632 442871631 /nfs/dbraw/zinc/87/16/31/442871631.db2.gz NPKYVSPLXWIWPD-CQSZACIVSA-N 0 0 336.436 1.162 10 0 EDAERN Cc1ccn(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)c1 ZINC000194377111 442885847 /nfs/dbraw/zinc/88/58/47/442885847.db2.gz NEACGGIWVCWNKX-CYBMUJFWSA-N 0 0 348.424 1.438 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(CCO)CC(F)F ZINC000194409015 442891538 /nfs/dbraw/zinc/89/15/38/442891538.db2.gz AYZKBTZYSRORNU-DOMZBBRYSA-N 0 0 342.386 1.917 10 0 EDAERN COCC(=O)NC1CN(C(=O)/C(C)=C/c2ccc(OC)c(F)c2)C1 ZINC000189198094 442895903 /nfs/dbraw/zinc/89/59/03/442895903.db2.gz CMESWQTZMDCQKU-IZZDOVSWSA-N 0 0 336.363 1.211 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(OC(F)(F)Cl)cc2)C1 ZINC000194476769 442904512 /nfs/dbraw/zinc/90/45/12/442904512.db2.gz JIMQYKQGIMJRGD-LBPRGKRZSA-N 0 0 334.750 1.915 10 0 EDAERN CNS(=O)(=O)c1cccc([C@H](C)NCc2nnc(C3CC3)n2C)c1 ZINC000181913016 318492148 /nfs/dbraw/zinc/49/21/48/318492148.db2.gz KEUQYMCAYBTZSG-NSHDSACASA-N 0 0 349.460 1.451 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCOc1cccc(Cl)c1 ZINC000189276570 442910780 /nfs/dbraw/zinc/91/07/80/442910780.db2.gz OXJSBRXSQXJMIM-GFCCVEGCSA-N 0 0 339.823 1.045 10 0 EDAERN Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@H]2CN(C)CCO2)C(C)C)cc1 ZINC000194616524 442924910 /nfs/dbraw/zinc/92/49/10/442924910.db2.gz COJYWYNTXKNDKL-DLBZAZTESA-N 0 0 347.459 1.196 10 0 EDAERN COc1cnccc1[C@@H](C)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000187510448 318555347 /nfs/dbraw/zinc/55/53/47/318555347.db2.gz GOMBDPRJCNNKAL-KGLIPLIRSA-N 0 0 345.403 1.458 10 0 EDAERN CC(=O)N[C@@H](CC(=O)N1CC(NC(=O)C2CC2)C1)c1ccc(C)cc1 ZINC000189453587 442958122 /nfs/dbraw/zinc/95/81/22/442958122.db2.gz FSKPYWZGCFFULI-KRWDZBQOSA-N 0 0 343.427 1.299 10 0 EDAERN O=C(CCN1C(=O)CCc2ccccc21)N1CC(NC(=O)C2CC2)C1 ZINC000189461045 442959899 /nfs/dbraw/zinc/95/98/99/442959899.db2.gz CYMWOKUOCKZXNH-UHFFFAOYSA-N 0 0 341.411 1.093 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)NCC(F)(F)CO)C1 ZINC000183891951 442973029 /nfs/dbraw/zinc/97/30/29/442973029.db2.gz FWYIPEJEBQFONP-QWRGUYRKSA-N 0 0 336.379 1.814 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195077894 442980998 /nfs/dbraw/zinc/98/09/98/442980998.db2.gz QKUXMYXYBDPJQP-AWEZNQCLSA-N 0 0 336.457 1.791 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1c(C)nn(C(F)F)c1C ZINC000195182823 442994759 /nfs/dbraw/zinc/99/47/59/442994759.db2.gz WHYPSEGEGPJUBC-LBPRGKRZSA-N 0 0 329.347 1.992 10 0 EDAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000249610831 442995666 /nfs/dbraw/zinc/99/56/66/442995666.db2.gz SBYLNGMOKMTFKE-RAIGVLPGSA-N 0 0 343.349 1.984 10 0 EDAERN CCn1ccnc1CN1CCN([C@@H](C)C(=O)NC2CCCC2)C[C@H]1C ZINC000249691992 443000102 /nfs/dbraw/zinc/00/01/02/443000102.db2.gz MENLOOBOKXOGOP-CVEARBPZSA-N 0 0 347.507 1.856 10 0 EDAERN CC1=C(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)[C@@H](C)n2ncnc2N1C ZINC000249629328 442996713 /nfs/dbraw/zinc/99/67/13/442996713.db2.gz UVGBCCYQQUMASA-QWQRMKEZSA-N 0 0 345.447 1.717 10 0 EDAERN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194770234 442952335 /nfs/dbraw/zinc/95/23/35/442952335.db2.gz CGDJZZVSYFTFOA-QMMMGPOBSA-N 0 0 344.198 1.526 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2c(C)ccn(C)c2=O)C12CCOCC2 ZINC000184486718 443028411 /nfs/dbraw/zinc/02/84/11/443028411.db2.gz BBVYKCFHDRUKNN-ZIAGYGMSSA-N 0 0 349.431 1.789 10 0 EDAERN CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000184911792 443096724 /nfs/dbraw/zinc/09/67/24/443096724.db2.gz NCLGNQLFLSWASL-NSHDSACASA-N 0 0 346.424 1.841 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@H]2CC[C@@H](C)O2)ncn1 ZINC000253550132 443073047 /nfs/dbraw/zinc/07/30/47/443073047.db2.gz NPXWJWHPXUDNHN-RBSFLKMASA-N 0 0 347.463 1.951 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cn1 ZINC000253623537 443074693 /nfs/dbraw/zinc/07/46/93/443074693.db2.gz YPSDWFIDMPUKKK-KFWWJZLASA-N 0 0 340.445 1.794 10 0 EDAERN CCN1CN(C(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1=O ZINC000190549185 443134104 /nfs/dbraw/zinc/13/41/04/443134104.db2.gz AOKYUMKTVAQXOC-MRXNPFEDSA-N 0 0 331.416 1.398 10 0 EDAERN Cc1cccc(F)c1S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000185097798 443135680 /nfs/dbraw/zinc/13/56/80/443135680.db2.gz UFNTVOQLAPCHSQ-DZGCQCFKSA-N 0 0 342.436 1.475 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@H]43)cc2[nH]1 ZINC000228813702 443124610 /nfs/dbraw/zinc/12/46/10/443124610.db2.gz ONDFUDPAJODGQY-ZIAGYGMSSA-N 0 0 337.401 1.188 10 0 EDAERN O=C1C[C@H](Nc2ncc(Br)cc2Br)CN1 ZINC000229238057 443125821 /nfs/dbraw/zinc/12/58/21/443125821.db2.gz DOZZHVSIUSAMQE-LURJTMIESA-N 0 0 334.999 1.907 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)NCc2ccc(C)cc2)n1 ZINC000185071102 443130000 /nfs/dbraw/zinc/13/00/00/443130000.db2.gz SVPVBPWSYBQMTO-OAHLLOKOSA-N 0 0 330.388 1.376 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000185220098 443164038 /nfs/dbraw/zinc/16/40/38/443164038.db2.gz RJCMKVKVZUORGW-UHFFFAOYSA-N 0 0 346.427 1.985 10 0 EDAERN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000190723692 443171061 /nfs/dbraw/zinc/17/10/61/443171061.db2.gz JITRMRHKQLZCMS-PKOBYXMFSA-N 0 0 349.475 1.690 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)C1 ZINC000185303807 443179939 /nfs/dbraw/zinc/17/99/39/443179939.db2.gz DVPHOYJBCZOBSS-APWZRJJASA-N 0 0 328.412 1.254 10 0 EDAERN C[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1cn(C)c2ccccc12 ZINC000185576993 443222018 /nfs/dbraw/zinc/22/20/18/443222018.db2.gz ZQYMZVQVMJMPGY-HUUCEWRRSA-N 0 0 345.443 1.091 10 0 EDAERN CCOCC(=O)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000191020440 443226556 /nfs/dbraw/zinc/22/65/56/443226556.db2.gz BBSVMERWHRZXRE-UHFFFAOYSA-N 0 0 328.453 1.678 10 0 EDAERN COc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)c(OC(F)F)c1 ZINC000191029561 443228161 /nfs/dbraw/zinc/22/81/61/443228161.db2.gz BKHXASZIMJDDPO-LLVKDONJSA-N 0 0 330.331 1.357 10 0 EDAERN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(Cc1nnc(C3CC3)n1C)C2=O ZINC000245585917 443238564 /nfs/dbraw/zinc/23/85/64/443238564.db2.gz DWDIVHZZIDGHQN-YQYWCBKUSA-N 0 0 331.420 1.939 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000190970891 443217639 /nfs/dbraw/zinc/21/76/39/443217639.db2.gz KCPXGOUYIJPZKI-HOCLYGCPSA-N 0 0 344.415 1.482 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(CC(=O)OC)n1 ZINC000191132573 443246186 /nfs/dbraw/zinc/24/61/86/443246186.db2.gz LICWKJDNDMXHPC-CQSZACIVSA-N 0 0 334.420 1.745 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000191159283 443250209 /nfs/dbraw/zinc/25/02/09/443250209.db2.gz QGWHKPBLVZMMLN-ZDUSSCGKSA-N 0 0 327.388 1.292 10 0 EDAERN COc1cccc(-c2nsc(NC(=O)C(=O)N[C@H]3C[C@H]3C)n2)c1 ZINC000185772973 443255269 /nfs/dbraw/zinc/25/52/69/443255269.db2.gz XSAKEYIFUXPOMO-KCJUWKMLSA-N 0 0 332.385 1.677 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(COc2ccccc2F)on1)C(C)C ZINC000185906601 443280468 /nfs/dbraw/zinc/28/04/68/443280468.db2.gz VHYWFIRWBLSDAL-OAHLLOKOSA-N 0 0 349.362 1.893 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000191338490 443281052 /nfs/dbraw/zinc/28/10/52/443281052.db2.gz YHBWMVJKTHUVSH-UHFFFAOYSA-N 0 0 338.367 1.034 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cc(C(C)=O)cn2C)C12CCOCC2 ZINC000185935831 443287681 /nfs/dbraw/zinc/28/76/81/443287681.db2.gz KSYKIHHXAOVVBI-JKSUJKDBSA-N 0 0 334.416 1.932 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@H](C)OCc3ccccc3)CCO2)[nH]1 ZINC000185965675 443291878 /nfs/dbraw/zinc/29/18/78/443291878.db2.gz AUYCENKJSAFOBC-DZGCQCFKSA-N 0 0 344.415 1.872 10 0 EDAERN CC(=O)NC1CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)C1 ZINC000191484335 443301496 /nfs/dbraw/zinc/30/14/96/443301496.db2.gz JMMOKNKOTAPRBX-UHFFFAOYSA-N 0 0 339.395 1.307 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191499638 443303866 /nfs/dbraw/zinc/30/38/66/443303866.db2.gz FWWKWDGKOBANNY-HNNXBMFYSA-N 0 0 349.479 1.574 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000191476843 443299701 /nfs/dbraw/zinc/29/97/01/443299701.db2.gz FAHFMVIZSUXJLT-UHFFFAOYSA-N 0 0 347.415 1.762 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)/C=C\c1cncc(O)c1)CC2 ZINC000492477494 320380413 /nfs/dbraw/zinc/38/04/13/320380413.db2.gz VKJOXBSTBIZCIT-RJNRQISESA-N 0 0 327.388 1.647 10 0 EDAERN Cc1cc(F)cc(C)c1C(=O)NC[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O ZINC000527559314 448286740 /nfs/dbraw/zinc/28/67/40/448286740.db2.gz QJGDHAFMKAHAGB-DYEKYZERSA-N 0 0 332.379 1.845 10 0 EDAERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Cn1nnc2ccccc21 ZINC000583619980 448450750 /nfs/dbraw/zinc/45/07/50/448450750.db2.gz FHNVRCKMKKHSHN-BBRMVZONSA-N 0 0 340.387 1.294 10 0 EDAERN Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1C ZINC000583621324 448451637 /nfs/dbraw/zinc/45/16/37/448451637.db2.gz PKBBCWWWUMMNPU-LSDHHAIUSA-N 0 0 345.374 1.484 10 0 EDAERN Cn1ccnc(N2CCC[C@@H](NCc3nc4c(s3)CCC4)C2)c1=O ZINC000583623131 448452818 /nfs/dbraw/zinc/45/28/18/448452818.db2.gz SWZVHBHYBMZDJS-GFCCVEGCSA-N 0 0 345.472 1.484 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCNC(=O)C2)cc1Br ZINC000584597074 448583716 /nfs/dbraw/zinc/58/37/16/448583716.db2.gz WUSZFSKGGHQIKQ-SECBINFHSA-N 0 0 347.234 1.314 10 0 EDAERN CON(C)C(=O)c1ccc(N2CCOCC2)c(Br)n1 ZINC000584628709 448585909 /nfs/dbraw/zinc/58/59/09/448585909.db2.gz OZDVCEDUWHLROT-UHFFFAOYSA-N 0 0 330.182 1.314 10 0 EDAERN CC1(C)NC(=O)CC[C@H]1NC(=O)c1cc(-n2ccnn2)ccc1F ZINC000614557465 449684981 /nfs/dbraw/zinc/68/49/81/449684981.db2.gz YCWVZJRPZMPZTG-CYBMUJFWSA-N 0 0 331.351 1.193 10 0 EDAERN CN1C[C@@H](CNC(=O)c2ccc(Br)c(F)c2)CC1=O ZINC000619008553 450377285 /nfs/dbraw/zinc/37/72/85/450377285.db2.gz UERXHBIUXMFBCO-MRVPVSSYSA-N 0 0 329.169 1.796 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2cccc(CCO)c2)C1 ZINC000616653165 450457683 /nfs/dbraw/zinc/45/76/83/450457683.db2.gz ITRUFIFWHMUGKJ-GOSISDBHSA-N 0 0 346.452 1.557 10 0 EDAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1ccnn1CC1CCC1 ZINC000633126817 450701137 /nfs/dbraw/zinc/70/11/37/450701137.db2.gz AJWBIIFJNXIBPG-LXZKKBNFSA-N 0 0 346.431 1.239 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Br)cc1F ZINC000624393943 450828709 /nfs/dbraw/zinc/82/87/09/450828709.db2.gz PMABAHXKKBGZCU-IUCAKERBSA-N 0 0 339.186 1.207 10 0 EDAERN CCn1cc(O[C@@H]2CN(c3ncnc4c3CCCCC4)C[C@H]2O)cn1 ZINC000624420779 450843476 /nfs/dbraw/zinc/84/34/76/450843476.db2.gz YLFBXPODIQTYPF-IAGOWNOFSA-N 0 0 343.431 1.590 10 0 EDAERN CCNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)nc1 ZINC000624582696 450907136 /nfs/dbraw/zinc/90/71/36/450907136.db2.gz KSXBQYJGDDLVBH-ZWNOBZJWSA-N 0 0 331.376 1.489 10 0 EDAERN CN(Cc1ccc(F)cc1F)C(=O)C[C@@H]1CS(=O)(=O)CCN1C ZINC000644285172 453243503 /nfs/dbraw/zinc/24/35/03/453243503.db2.gz MXTKTAGRJUJMQE-CYBMUJFWSA-N 0 0 346.399 1.042 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1cnn(-c2ccccc2)c1 ZINC000644327025 453306983 /nfs/dbraw/zinc/30/69/83/453306983.db2.gz CPXYEWAJMGSCEM-OAHLLOKOSA-N 0 0 328.372 1.184 10 0 EDAERN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2cc(Cl)cc3c2OCC3)C[NH2+]1 ZINC000657215948 453741414 /nfs/dbraw/zinc/74/14/14/453741414.db2.gz SQKJZYSBZIKRHR-MFKMUULPSA-N 0 0 338.791 1.344 10 0 EDAERN C[C@@H](C(=O)N1CC[C@@H](O)C12CCCC2)N1C(=O)c2ccccc2C1=O ZINC000661358479 453798935 /nfs/dbraw/zinc/79/89/35/453798935.db2.gz KZOYICKTRDMQGG-SWLSCSKDSA-N 0 0 342.395 1.577 10 0 EDAERN O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCCO1 ZINC000075067300 486820660 /nfs/dbraw/zinc/82/06/60/486820660.db2.gz QWVNZVBPQNUHHX-OAHLLOKOSA-N 0 0 338.429 1.135 10 0 EDAERN CNC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000042005441 486871657 /nfs/dbraw/zinc/87/16/57/486871657.db2.gz RFPLETLZHQMBHW-GFCCVEGCSA-N 0 0 332.404 1.181 10 0 EDAERN O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)N1CC(O)C1 ZINC000193232582 487162599 /nfs/dbraw/zinc/16/25/99/487162599.db2.gz IWYXEXGYUHVAAC-ZIAGYGMSSA-N 0 0 328.334 1.500 10 0 EDAERN O=c1[nH]c2cnc(-c3cnc4ccccn43)nc2n1Cc1cccnc1 ZINC000199385067 485649041 /nfs/dbraw/zinc/64/90/41/485649041.db2.gz AFMKGVKBXCIUAV-UHFFFAOYSA-N 0 0 343.350 1.878 10 0 EDAERN Cc1nnc2n1CCN(S(=O)(=O)Cc1ccc(Cl)cc1)C2 ZINC000074816007 486021914 /nfs/dbraw/zinc/02/19/14/486021914.db2.gz HNOQQPIREORSDR-UHFFFAOYSA-N 0 0 326.809 1.586 10 0 EDAERN C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000249705887 486119710 /nfs/dbraw/zinc/11/97/10/486119710.db2.gz NHJDSOALISPVKO-NXHRZFHOSA-N 0 0 332.444 1.991 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000183921369 533961424 /nfs/dbraw/zinc/96/14/24/533961424.db2.gz YTZINSBOSKHBBS-ZDUSSCGKSA-N 0 0 328.372 1.408 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000183921390 533960530 /nfs/dbraw/zinc/96/05/30/533960530.db2.gz YTZINSBOSKHBBS-CYBMUJFWSA-N 0 0 328.372 1.408 10 0 EDAERN C[C@@H]([C@H](O)c1cc2[nH]c(=O)[nH]c2cc1Br)S(C)(=O)=O ZINC000168932939 534038832 /nfs/dbraw/zinc/03/88/32/534038832.db2.gz UJJNJKPBGVKSEV-RRAGMBSWSA-N 0 0 349.206 1.085 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174008635 534155567 /nfs/dbraw/zinc/15/55/67/534155567.db2.gz YBDONPYZVOWRDV-ZDUSSCGKSA-N 0 0 335.379 1.006 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]12 ZINC000183264323 526485665 /nfs/dbraw/zinc/48/56/65/526485665.db2.gz FYCIUJZYYHLDRR-HZSPNIEDSA-N 0 0 334.420 1.645 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000184504642 527665442 /nfs/dbraw/zinc/66/54/42/527665442.db2.gz ZEGIDNNXYBSWOU-MRXNPFEDSA-N 0 0 346.431 1.659 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1nnc2n1CCCC2 ZINC000173395426 528062242 /nfs/dbraw/zinc/06/22/42/528062242.db2.gz IBZCWDVULIDLNQ-CYBMUJFWSA-N 0 0 348.451 1.157 10 0 EDAERN CC(C)COCCNS(=O)(=O)c1ccc(CC(N)=S)cc1 ZINC000167398643 528096929 /nfs/dbraw/zinc/09/69/29/528096929.db2.gz ABRTYZQZXYULNK-UHFFFAOYSA-N 0 0 330.475 1.466 10 0 EDAERN CCOC(=O)c1cnc2c(cnn2C)c1N1CCC(C)(CO)CC1 ZINC000129201317 528306974 /nfs/dbraw/zinc/30/69/74/528306974.db2.gz BGXWIFJYWREHIL-UHFFFAOYSA-N 0 0 332.404 1.744 10 0 EDAERN CCNc1ncc(S(=O)(=O)N[C@H](C)[C@H]2CCOC2)cc1Cl ZINC000166822252 528448493 /nfs/dbraw/zinc/44/84/93/528448493.db2.gz KERWLVWRAUWNMS-ZJUUUORDSA-N 0 0 333.841 1.870 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000184225320 528484320 /nfs/dbraw/zinc/48/43/20/528484320.db2.gz GHHLPKAHBFOMKO-HNNXBMFYSA-N 0 0 329.404 1.707 10 0 EDAERN CCCOCCOC(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1 ZINC000138547563 528592617 /nfs/dbraw/zinc/59/26/17/528592617.db2.gz GQXCJWHZTDZOSA-UHFFFAOYSA-N 0 0 335.809 1.879 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N[C@@H](C)c1cccs1 ZINC000176572608 528703714 /nfs/dbraw/zinc/70/37/14/528703714.db2.gz GRYJCGKAHQCBGP-MLMJSJRWSA-N 0 0 341.462 1.442 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000176564862 528703734 /nfs/dbraw/zinc/70/37/34/528703734.db2.gz RPYVGXWZJZXFDT-FNODVLLQSA-N 0 0 347.444 1.481 10 0 EDAERN CCCCCN(CCO)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181733136 535038163 /nfs/dbraw/zinc/03/81/63/535038163.db2.gz HGSWVJGLODXFOQ-CQSZACIVSA-N 0 0 337.468 1.910 10 0 EDAERN CCOCCC1(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000132669013 535472634 /nfs/dbraw/zinc/47/26/34/535472634.db2.gz SOPHTXULGJMKHG-JKSUJKDBSA-N 0 0 339.480 1.555 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3n[nH]cc3C2)C12CCOCC2 ZINC000248795835 535485319 /nfs/dbraw/zinc/48/53/19/535485319.db2.gz YQALPXRKPLGTHY-CWRNSKLLSA-N 0 0 348.447 1.540 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)n1 ZINC000193085454 535897314 /nfs/dbraw/zinc/89/73/14/535897314.db2.gz GJVHAIDIPDQTFT-VIFPVBQESA-N 0 0 336.421 1.163 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NC[C@@]2(O)CCSC2)[C@H]1c1ccccc1 ZINC000245425843 536308796 /nfs/dbraw/zinc/30/87/96/536308796.db2.gz UHUYPRIYLNXVFH-LESCRADOSA-N 0 0 348.468 1.580 10 0 EDAERN O[C@@]1(c2cn[nH]n2)CCCN(CCOc2ccc(F)cc2Cl)C1 ZINC000794041359 580867074 /nfs/dbraw/zinc/86/70/74/580867074.db2.gz FHCUWFBIFMGNPW-HNNXBMFYSA-N 0 0 340.786 1.960 10 0 EDAERN COc1ccc(CCC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000891144364 590979927 /nfs/dbraw/zinc/97/99/27/590979927.db2.gz DMKIQOYLXFNQNC-ZIAGYGMSSA-N 0 0 340.445 1.495 10 0 EDAERN CO[C@H]1CCN(Cc2nc(C(=O)NCCc3nc(C)oc3C)co2)C1 ZINC000888095188 591025219 /nfs/dbraw/zinc/02/52/19/591025219.db2.gz MEPXEYBCNXXJJJ-ZDUSSCGKSA-N 0 0 348.403 1.473 10 0 EDAERN COc1c2ccccc2oc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000888095030 591025542 /nfs/dbraw/zinc/02/55/42/591025542.db2.gz LDBKVVPDFLGCLK-GXTWGEPZSA-N 0 0 343.339 1.741 10 0 EDAERN CCN1C(=O)CC[C@H](CNC(=O)c2[nH]ccc2C)[C@H]1c1cnn(C)c1 ZINC000888102675 591030886 /nfs/dbraw/zinc/03/08/86/591030886.db2.gz FJFLKLCVDDCPFY-DYVFJYSZSA-N 0 0 343.431 1.786 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899078356 591675488 /nfs/dbraw/zinc/67/54/88/591675488.db2.gz NOHJJJUSPWAQDR-JSGCOSHPSA-N 0 0 327.388 1.791 10 0 EDAERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@@H]2c2ccccn2)cc1 ZINC000143576418 591852594 /nfs/dbraw/zinc/85/25/94/591852594.db2.gz OGFQOAOAEPSICB-OAHLLOKOSA-N 0 0 348.384 1.325 10 0 EDAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)C/C=C\c1ccc(F)cc1)C2 ZINC000818350601 593694209 /nfs/dbraw/zinc/69/42/09/593694209.db2.gz LRRRNEWJYQKVPR-PYLYLYNFSA-N 0 0 343.362 1.025 10 0 EDAERN CN(CCS(C)(=O)=O)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000102804718 595116028 /nfs/dbraw/zinc/11/60/28/595116028.db2.gz FZYPCEVKCYUUES-UWVGGRQHSA-N 0 0 330.372 1.794 10 0 EDAERN CS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000105387354 595226451 /nfs/dbraw/zinc/22/64/51/595226451.db2.gz WBJDNYNDSNOSCJ-MDZDMXLPSA-N 0 0 338.410 1.898 10 0 EDAERN CCCCCCNC(=O)CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865717 595481227 /nfs/dbraw/zinc/48/12/27/595481227.db2.gz NQSMXTKSXUGRKU-UHFFFAOYSA-N 0 0 349.523 1.851 10 0 EDAERN Cn1cc([C@H]2[C@@H](C(=O)OCc3cccnc3)CCC(=O)N2C)cn1 ZINC000115202622 595533289 /nfs/dbraw/zinc/53/32/89/595533289.db2.gz IXRKEVUTHAYLDX-HOCLYGCPSA-N 0 0 328.372 1.468 10 0 EDAERN CN(C)c1ccc(CCC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1 ZINC000855079083 595593587 /nfs/dbraw/zinc/59/35/87/595593587.db2.gz URFZZJDIJNXIHO-RYRKJORJSA-N 0 0 328.416 1.372 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C[C@H]1C ZINC000117277274 595605474 /nfs/dbraw/zinc/60/54/74/595605474.db2.gz UMRGLIHACIYLKU-QAPCUYQASA-N 0 0 345.443 1.749 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C[C@H]1C ZINC000117291024 595615525 /nfs/dbraw/zinc/61/55/25/595615525.db2.gz GVTBRSVLCOHCRY-DYVFJYSZSA-N 0 0 349.406 1.498 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cn3nc(C4CC4)n(C)c3=S)CCO2)c1 ZINC000112071591 596016848 /nfs/dbraw/zinc/01/68/48/596016848.db2.gz SBKARYRHWYQYDD-CQSZACIVSA-N 0 0 348.476 1.692 10 0 EDAERN Cn1cnn(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1=S ZINC000118955788 596333566 /nfs/dbraw/zinc/33/35/66/596333566.db2.gz CYTJGBXDVILVCP-HNNXBMFYSA-N 0 0 333.461 1.260 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCOc2ccccc2F)cn1 ZINC000862926857 596453278 /nfs/dbraw/zinc/45/32/78/596453278.db2.gz CORBJCFZGVBAHV-GOEBONIOSA-N 0 0 349.362 1.291 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)c(Br)n1 ZINC000121034210 596864601 /nfs/dbraw/zinc/86/46/01/596864601.db2.gz SPTKFPZYNXYNGB-VIFPVBQESA-N 0 0 342.193 1.074 10 0 EDAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCC(N2CCCCC2=O)CC1 ZINC000126657305 597548197 /nfs/dbraw/zinc/54/81/97/597548197.db2.gz UWWGVSJWQPEFMT-HOTGVXAUSA-N 0 0 345.443 1.372 10 0 EDAERN C[C@H](NC(=O)NCc1ccccc1N1CCOCC1)[C@H]1CCCO1 ZINC000129355784 597813243 /nfs/dbraw/zinc/81/32/43/597813243.db2.gz SBBKRKGSZCVIBO-WMLDXEAASA-N 0 0 333.432 1.890 10 0 EDAERN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@@H](C)NC(N)=O ZINC000128570980 597997598 /nfs/dbraw/zinc/99/75/98/597997598.db2.gz PBWAMCKPZWCCIU-BXUZGUMPSA-N 0 0 325.384 1.401 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)OC2CCN(C=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000181947546 700212778 /nfs/dbraw/zinc/21/27/78/700212778.db2.gz YZELAJRZFWIMHV-WBVHZDCISA-N 0 0 348.374 1.509 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCC2(C)OCCO2)C1 ZINC000185123365 698980128 /nfs/dbraw/zinc/98/01/28/698980128.db2.gz UHTIXRIOPXRILV-CQSZACIVSA-N 0 0 336.436 1.945 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)OCCn2cc(Br)ccc2=O)O1 ZINC000181350106 699504186 /nfs/dbraw/zinc/50/41/86/699504186.db2.gz JQOUECHFWULESK-MWLCHTKSSA-N 0 0 330.178 1.722 10 0 EDAERN CS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000181371506 699523942 /nfs/dbraw/zinc/52/39/42/699523942.db2.gz YZUMWWFCXYRYIR-AWEZNQCLSA-N 0 0 348.428 1.717 10 0 EDAERN Cn1ccc(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000181556421 699774873 /nfs/dbraw/zinc/77/48/73/699774873.db2.gz IYEBYBLMPBJRKS-GXTWGEPZSA-N 0 0 336.436 1.772 10 0 EDAERN C#C[C@H](C)NC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000185997765 700621989 /nfs/dbraw/zinc/62/19/89/700621989.db2.gz WRCDMJCARRJFLU-LRDDRELGSA-N 0 0 332.400 1.596 10 0 EDAERN Cn1cc([C@@H]2[C@H](C(=O)OCC3(C#N)CCC3)CCC(=O)N2C)cn1 ZINC000183843240 702696162 /nfs/dbraw/zinc/69/61/62/702696162.db2.gz UVQNAMRKWQCINO-UKRRQHHQSA-N 0 0 330.388 1.567 10 0 EDAERN C[C@@H](NC(=O)NCCc1ccnn1C)c1ccc2c(c1)OCCO2 ZINC000186453574 707871438 /nfs/dbraw/zinc/87/14/38/707871438.db2.gz FORKJFFHPKUONL-GFCCVEGCSA-N 0 0 330.388 1.794 10 0 EDAERN NC(=S)c1cc2c(nc1NC[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000050603181 214061059 /nfs/dbraw/zinc/06/10/59/214061059.db2.gz LKUDBWABUMVTOU-SECBINFHSA-N 0 0 325.459 1.051 10 0 EDAERN Nc1cc(-c2nnnn2C[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000050604454 214061086 /nfs/dbraw/zinc/06/10/86/214061086.db2.gz XWXWKWHYRGCITG-QMMMGPOBSA-N 0 0 327.797 1.010 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N[C@@H]1CCCNC1=O ZINC000050772009 214069501 /nfs/dbraw/zinc/06/95/01/214069501.db2.gz QRKPELZRJYOHFT-SNVBAGLBSA-N 0 0 341.209 1.284 10 0 EDAERN C[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000051639311 214099274 /nfs/dbraw/zinc/09/92/74/214099274.db2.gz AEYVQBYILUOVHU-MRVPVSSYSA-N 0 0 330.182 1.008 10 0 EDAERN CCc1nc(-c2cc3c(c(Br)c2)OCO3)c(N)n1N ZINC000052838875 214151228 /nfs/dbraw/zinc/15/12/28/214151228.db2.gz INMIUVPDQFQECD-UHFFFAOYSA-N 0 0 325.166 1.900 10 0 EDAERN O=S(=O)(NC1(CO)CCCCC1)c1cccc2nsnc21 ZINC000053096148 214163706 /nfs/dbraw/zinc/16/37/06/214163706.db2.gz HVGMIIIZSUCGIL-UHFFFAOYSA-N 0 0 327.431 1.665 10 0 EDAERN COC(=O)C[C@H](NC(=O)CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000053152739 214166008 /nfs/dbraw/zinc/16/60/08/214166008.db2.gz YVOGMCXPZMLUCA-AWEZNQCLSA-N 0 0 334.416 1.959 10 0 EDAERN CN(C(=O)c1csc(-c2ccncc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000062632078 214725755 /nfs/dbraw/zinc/72/57/55/214725755.db2.gz QOLCTRQCMOCTLY-NSHDSACASA-N 0 0 337.426 1.464 10 0 EDAERN C[C@H](CNS(=O)(=O)c1ccc(Br)s1)C(N)=S ZINC000054154476 214220568 /nfs/dbraw/zinc/22/05/68/214220568.db2.gz PPBDDPPXEDPMLD-RXMQYKEDSA-N 0 0 343.293 1.711 10 0 EDAERN Cc1cc(NC(=O)c2csc(N)n2)ccc1NS(C)(=O)=O ZINC000055186547 214285333 /nfs/dbraw/zinc/28/53/33/214285333.db2.gz LQNSGXRYQYAQKP-UHFFFAOYSA-N 0 0 326.403 1.658 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)[C@H](C)C3CC3)C2=O)n(C)n1 ZINC000173568502 230974700 /nfs/dbraw/zinc/97/47/00/230974700.db2.gz WFHYNPJEMJWFMZ-TZMCWYRMSA-N 0 0 333.436 1.664 10 0 EDAERN COc1ccc(NC(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173685015 231005054 /nfs/dbraw/zinc/00/50/54/231005054.db2.gz XPEBDXGXHLNKQN-CQSZACIVSA-N 0 0 331.376 1.134 10 0 EDAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173690463 231006299 /nfs/dbraw/zinc/00/62/99/231006299.db2.gz LLZLZJKEZAGAON-LLVKDONJSA-N 0 0 334.767 1.129 10 0 EDAERN CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccccn2)CC1 ZINC000055519665 214327943 /nfs/dbraw/zinc/32/79/43/214327943.db2.gz IHOMUTZSWBDWCS-HNNXBMFYSA-N 0 0 337.445 1.417 10 0 EDAERN O=S(=O)(c1ccccc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000174000517 231095873 /nfs/dbraw/zinc/09/58/73/231095873.db2.gz BAPAJBBBJWGAOA-LBPRGKRZSA-N 0 0 330.837 1.435 10 0 EDAERN COC[C@@H](C)C(=O)NCC1CCC(CNC(=O)[C@@H](C)COC)CC1 ZINC000174103975 231121490 /nfs/dbraw/zinc/12/14/90/231121490.db2.gz GYDGPQMAILMDHZ-PJPHBNEVSA-N 0 0 342.480 1.590 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2c(Cl)nc3ccccn32)C[C@H]1C ZINC000174297215 231170565 /nfs/dbraw/zinc/17/05/65/231170565.db2.gz RJFMLBFTZWXIMY-VXGBXAGGSA-N 0 0 336.823 1.515 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000174296288 231170619 /nfs/dbraw/zinc/17/06/19/231170619.db2.gz XIRPUPZYBBHEEF-LSDHHAIUSA-N 0 0 348.443 1.572 10 0 EDAERN CC[C@]1(C)NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168909391 529413323 /nfs/dbraw/zinc/41/33/23/529413323.db2.gz BPVRDFMJJAAOAF-ZDUSSCGKSA-N 0 0 326.194 1.471 10 0 EDAERN Cc1csc(NC(=O)N2CCCN(Cc3noc(C)n3)CC2)n1 ZINC000174353466 231186706 /nfs/dbraw/zinc/18/67/06/231186706.db2.gz QMULSSWKKOHXMS-UHFFFAOYSA-N 0 0 336.421 1.883 10 0 EDAERN Cn1nccc1C1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000174900794 231340009 /nfs/dbraw/zinc/34/00/09/231340009.db2.gz HUOXIQPHKIWQKU-AWEZNQCLSA-N 0 0 347.463 1.709 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(C)c3)C2=O)n(C)n1 ZINC000175020318 231368254 /nfs/dbraw/zinc/36/82/54/231368254.db2.gz CFVGGRWVNPDKNB-OAHLLOKOSA-N 0 0 326.400 1.962 10 0 EDAERN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2C[C@H]3CC[C@@H]2C3)c1 ZINC000049716684 214028881 /nfs/dbraw/zinc/02/88/81/214028881.db2.gz LRBDKKNHXNDKHT-VHSXEESVSA-N 0 0 333.406 1.402 10 0 EDAERN Cc1cc(C(=O)NCc2ccc(C)cc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049682785 214025945 /nfs/dbraw/zinc/02/59/45/214025945.db2.gz MALROEQURCXPTA-OAHLLOKOSA-N 0 0 347.440 1.790 10 0 EDAERN O=C(NCc1nncn1-c1ccccc1)N[C@@H]1CCCC[C@H]1CO ZINC000175957036 231544082 /nfs/dbraw/zinc/54/40/82/231544082.db2.gz PRBNMMRMOINNSV-DZGCQCFKSA-N 0 0 329.404 1.618 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cc2cnc3ccccc3c2)CC1 ZINC000131461312 529697866 /nfs/dbraw/zinc/69/78/66/529697866.db2.gz UTMHNMFMIQZUDM-KRWDZBQOSA-N 0 0 327.428 1.692 10 0 EDAERN CCCNC(=O)CN(C)C(=O)c1cc(N)c(F)cc1Br ZINC000061080040 214654887 /nfs/dbraw/zinc/65/48/87/214654887.db2.gz AOZKCZAXWCZPEW-UHFFFAOYSA-N 0 0 346.200 1.769 10 0 EDAERN CC[C@H](O)CNS(=O)(=O)c1cc(Br)cc(N)c1C ZINC000161987439 529708686 /nfs/dbraw/zinc/70/86/86/529708686.db2.gz CUQPYCCELPLEFU-VIFPVBQESA-N 0 0 337.239 1.389 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000153188051 529750423 /nfs/dbraw/zinc/75/04/23/529750423.db2.gz CWISXLRXSIOEFF-GXTWGEPZSA-N 0 0 343.435 1.988 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)C(=O)OC(C)C)CC2 ZINC000174961910 529751390 /nfs/dbraw/zinc/75/13/90/529751390.db2.gz CAHHZZIBVONQJC-VXGBXAGGSA-N 0 0 337.424 1.042 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c(C)nn(CC)c1Cl)CC2 ZINC000173767661 529751534 /nfs/dbraw/zinc/75/15/34/529751534.db2.gz MYZFRRIMTDXJFB-SNVBAGLBSA-N 0 0 336.827 1.764 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccnnc2)CC1 ZINC000131532333 529767366 /nfs/dbraw/zinc/76/73/66/529767366.db2.gz XMNBXVHHVFOHRT-UHFFFAOYSA-N 0 0 348.838 1.384 10 0 EDAERN O=C(c1ccc2c(c1)OCO2)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 ZINC000062191865 214705274 /nfs/dbraw/zinc/70/52/74/214705274.db2.gz SPQNIUVRWZNNNQ-INIZCTEOSA-N 0 0 342.326 1.868 10 0 EDAERN CCNS(=O)(=O)N1CC(=O)N2CC(C)(C)c3ccccc3[C@H]2C1 ZINC000062270265 214707538 /nfs/dbraw/zinc/70/75/38/214707538.db2.gz TTYULLFULQWBJD-CQSZACIVSA-N 0 0 337.445 1.017 10 0 EDAERN Cc1cc(NC(=O)CNC(=O)c2ccc3nc(C)c(C)nc3c2)no1 ZINC000062327182 214710793 /nfs/dbraw/zinc/71/07/93/214710793.db2.gz ACMWYQSXDDWBQB-UHFFFAOYSA-N 0 0 339.355 1.912 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000170924657 529783339 /nfs/dbraw/zinc/78/33/39/529783339.db2.gz YAVRPVRYTWEFBC-SFHVURJKSA-N 0 0 347.459 1.708 10 0 EDAERN CNC(=O)C(C)(C)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179445916 529839219 /nfs/dbraw/zinc/83/92/19/529839219.db2.gz CBIMINUXIFFSGA-DZGCQCFKSA-N 0 0 349.406 1.234 10 0 EDAERN COC(=O)[C@H](CO)NC(=O)c1cc2cccc(Br)c2o1 ZINC000048787616 213964575 /nfs/dbraw/zinc/96/45/75/213964575.db2.gz UNRYJTGSOGSXTI-VIFPVBQESA-N 0 0 342.145 1.459 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000166770568 529901621 /nfs/dbraw/zinc/90/16/21/529901621.db2.gz JSPYIQWBFBTPGQ-NSHDSACASA-N 0 0 344.198 1.669 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1Cl ZINC000175956114 529941824 /nfs/dbraw/zinc/94/18/24/529941824.db2.gz OEMKJLKQYCTJRX-GFCCVEGCSA-N 0 0 348.794 1.948 10 0 EDAERN C[NH2+]CCCNC(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000147411776 529969948 /nfs/dbraw/zinc/96/99/48/529969948.db2.gz HNVCTYUUGOLGFV-UHFFFAOYSA-N 0 0 330.182 1.878 10 0 EDAERN CNS(=O)(=O)c1ccc(SCC(=O)OC(C)(C)C)c(N)c1 ZINC000166718045 530031763 /nfs/dbraw/zinc/03/17/63/530031763.db2.gz LSSOCIHDVCOJHG-UHFFFAOYSA-N 0 0 332.447 1.611 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@](C)(c3cc(F)cc(F)c3)C2=O)n1C ZINC000178221948 232110814 /nfs/dbraw/zinc/11/08/14/232110814.db2.gz WRYGATYGAXJLIY-MRXNPFEDSA-N 0 0 349.341 1.623 10 0 EDAERN C[C@@H](Sc1nncn1C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126448520 222701736 /nfs/dbraw/zinc/70/17/36/222701736.db2.gz FWOPIAQWGCGHPX-GFCCVEGCSA-N 0 0 334.449 1.431 10 0 EDAERN CCn1c(C)nnc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000178368193 232146908 /nfs/dbraw/zinc/14/69/08/232146908.db2.gz DTYCZXWTPQPVBA-SJORKVTESA-N 0 0 330.432 1.931 10 0 EDAERN Cc1ccccc1Cc1nnc(CN2CCNC(=O)[C@H]2C(C)C)o1 ZINC000126716699 222740373 /nfs/dbraw/zinc/74/03/73/222740373.db2.gz KHCXQTBGNAXUDL-QGZVFWFLSA-N 0 0 328.416 1.925 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@]1(O)CCOC1)C(C)C ZINC000178925739 232613161 /nfs/dbraw/zinc/61/31/61/232613161.db2.gz QPUORTPRIUVJEZ-MAUKXSAKSA-N 0 0 334.416 1.017 10 0 EDAERN Cc1nc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cs1 ZINC000066896079 215092714 /nfs/dbraw/zinc/09/27/14/215092714.db2.gz BMJGDBSVWZWJPQ-MRVPVSSYSA-N 0 0 325.415 1.590 10 0 EDAERN COCCN(C(=O)c1cc(Br)cn1C)[C@H](C)COC ZINC000042610477 213518622 /nfs/dbraw/zinc/51/86/22/213518622.db2.gz VERMPMOFMDZBTO-SNVBAGLBSA-N 0 0 333.226 1.911 10 0 EDAERN COC[C@H](O)CN(C)C(=O)CCOc1ccc(Br)cc1 ZINC000042503195 213509584 /nfs/dbraw/zinc/50/95/84/213509584.db2.gz BKYAFOXCUXNOAC-GFCCVEGCSA-N 0 0 346.221 1.684 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)C(C)C ZINC000248039406 539684694 /nfs/dbraw/zinc/68/46/94/539684694.db2.gz LSTYTMSTPJIYFO-IMJJTQAJSA-N 0 0 349.406 1.232 10 0 EDAERN C[C@@H](C(=O)N[C@H]1CCOC(C)(C)C1)N1C(=O)c2ccccc2C1=O ZINC000150938953 539726029 /nfs/dbraw/zinc/72/60/29/539726029.db2.gz GTPUDZMSDAAJQM-RYUDHWBXSA-N 0 0 330.384 1.745 10 0 EDAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000103383508 219294782 /nfs/dbraw/zinc/29/47/82/219294782.db2.gz DLQHOALUXPFWEQ-NEPJUHHUSA-N 0 0 328.434 1.397 10 0 EDAERN Cc1cc(-c2cc(C(=O)NCCS(C)(=O)=O)[nH]n2)ccc1F ZINC000041340028 213441516 /nfs/dbraw/zinc/44/15/16/213441516.db2.gz LUSQQHXXNOMAPC-UHFFFAOYSA-N 0 0 325.365 1.299 10 0 EDAERN Nc1cc(C(=O)O[C@H]2CCCCNC2=O)ccc1Br ZINC000041093424 213414990 /nfs/dbraw/zinc/41/49/90/213414990.db2.gz TVZOVOJYMDCWJN-NSHDSACASA-N 0 0 327.178 1.857 10 0 EDAERN CN(C)[C@@H](CNS(=O)(=O)c1cnc(Cl)nc1)c1cccs1 ZINC000040804215 213387960 /nfs/dbraw/zinc/38/79/60/213387960.db2.gz KIHQERKSLZGPAQ-JTQLQIEISA-N 0 0 346.865 1.773 10 0 EDAERN O=S1(=O)CCC[C@@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000069142669 215363364 /nfs/dbraw/zinc/36/33/64/215363364.db2.gz CRKCDDYMOABKJG-DGCLKSJQSA-N 0 0 329.443 1.072 10 0 EDAERN Cc1nc(N)sc1S(=O)(=O)NCCc1cc(F)cc(F)c1 ZINC000069366843 215389058 /nfs/dbraw/zinc/38/90/58/215389058.db2.gz SLBQQEDQOWMVNT-UHFFFAOYSA-N 0 0 333.385 1.833 10 0 EDAERN O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180974287 234049510 /nfs/dbraw/zinc/04/95/10/234049510.db2.gz XCLAHFWEXNFHCB-NSHDSACASA-N 0 0 342.371 1.657 10 0 EDAERN CN(C)c1ccc(Br)cc1NC(=O)C1=NNC(=O)CC1 ZINC000040417954 213301744 /nfs/dbraw/zinc/30/17/44/213301744.db2.gz QEIXMLSQKNIDRO-UHFFFAOYSA-N 0 0 339.193 1.720 10 0 EDAERN C[C@@H]1CN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000181939057 234387486 /nfs/dbraw/zinc/38/74/86/234387486.db2.gz ABAKFKDMMQGRFB-IOASZLSFSA-N 0 0 327.446 1.407 10 0 EDAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000128158396 222919373 /nfs/dbraw/zinc/91/93/73/222919373.db2.gz RWQVQGOGTCWDTD-NWDGAFQWSA-N 0 0 332.809 1.021 10 0 EDAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000021699562 540066244 /nfs/dbraw/zinc/06/62/44/540066244.db2.gz YJHJCTHWFKHMTA-JTQLQIEISA-N 0 0 344.414 1.275 10 0 EDAERN CCCCS(=O)(=O)NCCn1ncc2c1ncnc2NCCC ZINC000038522104 213213498 /nfs/dbraw/zinc/21/34/98/213213498.db2.gz JZOCFCLKJRTRMC-UHFFFAOYSA-N 0 0 340.453 1.368 10 0 EDAERN CCOCCO[C@@H](C)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816467 219538106 /nfs/dbraw/zinc/53/81/06/219538106.db2.gz RVRWUXQANOHZBD-AWEZNQCLSA-N 0 0 336.436 1.345 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1N1CCOCC1 ZINC000177883843 540107019 /nfs/dbraw/zinc/10/70/19/540107019.db2.gz GERIQMZIPQBEJP-XJKSGUPXSA-N 0 0 333.436 1.478 10 0 EDAERN Cc1ccc([C@H](CNC(=O)Cc2cc[nH]n2)N2CCOCC2)s1 ZINC000176560203 540101040 /nfs/dbraw/zinc/10/10/40/540101040.db2.gz KFDGBOPBPSDDPP-AWEZNQCLSA-N 0 0 334.445 1.512 10 0 EDAERN COc1cc(CCNC(=O)N[C@@H]2CCCn3ncnc32)ccc1O ZINC000176519610 540101150 /nfs/dbraw/zinc/10/11/50/540101150.db2.gz NVOJKWIYBDUAFE-GFCCVEGCSA-N 0 0 331.376 1.369 10 0 EDAERN CNC(=O)[C@H](NCc1nc(-c2ccc(C)c(OC)c2)no1)C(C)C ZINC000183653748 540139084 /nfs/dbraw/zinc/13/90/84/540139084.db2.gz BLOMYYNLILEYFF-OAHLLOKOSA-N 0 0 332.404 1.914 10 0 EDAERN O=C(CNC(=O)N1CCC[C@H](Nc2ccccc2)C1)NCC1CC1 ZINC000183796235 235229154 /nfs/dbraw/zinc/22/91/54/235229154.db2.gz RQRBBVXHLDWHKI-INIZCTEOSA-N 0 0 330.432 1.799 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3coc(C4CCC4)n3)CCO2)c1 ZINC000192561034 540179570 /nfs/dbraw/zinc/17/95/70/540179570.db2.gz DFAIMEFZMNELIH-AWEZNQCLSA-N 0 0 330.388 1.988 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(c3ncnc4onc(C)c43)CC2)n1 ZINC000193394489 540182487 /nfs/dbraw/zinc/18/24/87/540182487.db2.gz BQYPIWWGBBBSCL-SNVBAGLBSA-N 0 0 329.364 1.501 10 0 EDAERN COCCN1CCN(CC(=O)N2CCc3sccc3C2)C[C@H]1C ZINC000105833278 219552018 /nfs/dbraw/zinc/55/20/18/219552018.db2.gz HSKYEXJYOIXUFM-CQSZACIVSA-N 0 0 337.489 1.285 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C3CCN(C(=O)N(C)C)CC3)C2)c1 ZINC000105859413 219563067 /nfs/dbraw/zinc/56/30/67/219563067.db2.gz FVBCFDZYMQOPDE-MRXNPFEDSA-N 0 0 347.463 1.749 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)NC3CCCCC3)C2)c1 ZINC000105859864 219564050 /nfs/dbraw/zinc/56/40/50/219564050.db2.gz WJAZOOHQJDZMLD-MRXNPFEDSA-N 0 0 347.463 1.987 10 0 EDAERN C[C@H](CNC(=O)CCCc1nc2ccccc2[nH]1)N1CCOCC1 ZINC000029961403 138097431 /nfs/dbraw/zinc/09/74/31/138097431.db2.gz MFSSMNDKOUFHHX-CQSZACIVSA-N 0 0 330.432 1.723 10 0 EDAERN COc1ccc([C@@H](O)CNC(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000083750356 138269517 /nfs/dbraw/zinc/26/95/17/138269517.db2.gz HDDCBTRVNDGSHI-GJZGRUSLSA-N 0 0 345.403 1.463 10 0 EDAERN Cc1nnnn1-c1cc(NC(=O)N[C@H]2CCCC[C@@H]2CO)ccc1F ZINC000081624160 138267241 /nfs/dbraw/zinc/26/72/41/138267241.db2.gz OPZCVPIULNILMV-RISCZKNCSA-N 0 0 348.382 1.782 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000089746923 138274889 /nfs/dbraw/zinc/27/48/89/138274889.db2.gz AJSVTSBPZATGCC-VBQJREDUSA-N 0 0 326.437 1.912 10 0 EDAERN Cc1cn2c(ncc(C(=O)N[C@H]3COc4ccccc43)c2=O)s1 ZINC000092886687 138290962 /nfs/dbraw/zinc/29/09/62/138290962.db2.gz WPLBVHOVDJTYFW-LBPRGKRZSA-N 0 0 327.365 1.928 10 0 EDAERN CCn1cnnc1C1CC[NH+](CC(=O)[N-]OCc2ccccc2)CC1 ZINC000093172538 138292290 /nfs/dbraw/zinc/29/22/90/138292290.db2.gz YLJQCSUHWWIMPF-UHFFFAOYSA-N 0 0 343.431 1.725 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC000110757456 138307368 /nfs/dbraw/zinc/30/73/68/138307368.db2.gz WPLZWKYMXHXUJZ-CYBMUJFWSA-N 0 0 342.465 1.075 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1cc(C)ccc1C)CC2 ZINC000114867706 138310613 /nfs/dbraw/zinc/31/06/13/138310613.db2.gz JKZMDHJFOCBWKC-AWEZNQCLSA-N 0 0 328.416 1.967 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CCC(c3cc[nH]n3)CC2)CCCC1 ZINC000125223071 138332791 /nfs/dbraw/zinc/33/27/91/138332791.db2.gz PWJAHRXGULUSBC-UHFFFAOYSA-N 0 0 333.436 1.748 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000125343694 138333262 /nfs/dbraw/zinc/33/32/62/138333262.db2.gz BIJZUTMKROSCIB-CQSZACIVSA-N 0 0 334.420 1.984 10 0 EDAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N[C@H]1COc2ccccc21 ZINC000126317643 138338076 /nfs/dbraw/zinc/33/80/76/138338076.db2.gz XYGNGUTYLRJRPZ-HNNXBMFYSA-N 0 0 349.350 1.456 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCOC2(CCC2)C1 ZINC000130839996 138348302 /nfs/dbraw/zinc/34/83/02/138348302.db2.gz OMPJNYWCNDJTQA-GFCCVEGCSA-N 0 0 335.408 1.224 10 0 EDAERN O=C(CNC(=O)c1cccc(F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000131941216 138368334 /nfs/dbraw/zinc/36/83/34/138368334.db2.gz PJTZOZHMIKWTIS-UHFFFAOYSA-N 0 0 330.363 1.685 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000133885834 138399537 /nfs/dbraw/zinc/39/95/37/138399537.db2.gz VDXDMZIEMRYVSB-CYBMUJFWSA-N 0 0 342.399 1.804 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3cccc(F)c3)CCO2)[nH]1 ZINC000136717890 138433897 /nfs/dbraw/zinc/43/38/97/138433897.db2.gz VTOQDABXEKZTLR-ZDUSSCGKSA-N 0 0 333.367 1.789 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)O1 ZINC000151695214 138460179 /nfs/dbraw/zinc/46/01/79/138460179.db2.gz POZPFBGNZNOJGD-STQMWFEESA-N 0 0 335.408 1.187 10 0 EDAERN CN(C)C(=O)c1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000153223020 138491946 /nfs/dbraw/zinc/49/19/46/138491946.db2.gz GZRSVMHXPXYTBS-HZPDHXFCSA-N 0 0 333.432 1.739 10 0 EDAERN O=C(NCc1ccnc(-n2cccn2)c1)NC[C@H]1CCCC[C@H]1O ZINC000153380992 138495601 /nfs/dbraw/zinc/49/56/01/138495601.db2.gz HHTQEHNVOVEJLN-HUUCEWRRSA-N 0 0 329.404 1.618 10 0 EDAERN Nc1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1Br ZINC000070216878 215683299 /nfs/dbraw/zinc/68/32/99/215683299.db2.gz XJWINXSAUGQJNF-SECBINFHSA-N 0 0 349.250 1.879 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CCOCC3(C)C)[nH]c(=O)n2)cc1 ZINC000036190325 213076237 /nfs/dbraw/zinc/07/62/37/213076237.db2.gz KARDKWMXXOCWLT-UHFFFAOYSA-N 0 0 343.383 1.697 10 0 EDAERN Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000036108861 213069471 /nfs/dbraw/zinc/06/94/71/213069471.db2.gz XFQOZACRUPVYMF-AWEZNQCLSA-N 0 0 338.429 1.007 10 0 EDAERN COc1ccccc1[C@H]1CN(C(=O)C2CC2)C[C@H]1C(=O)NC1CC1 ZINC000036051687 213058007 /nfs/dbraw/zinc/05/80/07/213058007.db2.gz DVLMDPDQBXCIFD-HZPDHXFCSA-N 0 0 328.412 1.926 10 0 EDAERN COc1ccccc1[C@@H]1CN(C(=O)C2CC2)C[C@@H]1C(=O)NC1CC1 ZINC000036051682 213057895 /nfs/dbraw/zinc/05/78/95/213057895.db2.gz DVLMDPDQBXCIFD-HOTGVXAUSA-N 0 0 328.412 1.926 10 0 EDAERN O=C(NC1CN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1)C1CC1 ZINC000187979284 236368186 /nfs/dbraw/zinc/36/81/86/236368186.db2.gz ZLTSVCUKFASKTJ-MJGOQNOKSA-N 0 0 344.455 1.652 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000188022969 236389656 /nfs/dbraw/zinc/38/96/56/236389656.db2.gz JNHQGFUIGHKMPG-OAGGEKHMSA-N 0 0 332.448 1.952 10 0 EDAERN CN(C)C(=O)C1CCN(S(=O)(=O)c2cnccc2Cl)CC1 ZINC000071204261 215745293 /nfs/dbraw/zinc/74/52/93/215745293.db2.gz YBWSBTYCELFHQB-UHFFFAOYSA-N 0 0 331.825 1.224 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cnn4ccc(C)nc34)C2)no1 ZINC000171233614 138655796 /nfs/dbraw/zinc/65/57/96/138655796.db2.gz LEVBSBSVWFYDLN-ZDUSSCGKSA-N 0 0 340.387 1.824 10 0 EDAERN COCCOc1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171661705 138659511 /nfs/dbraw/zinc/65/95/11/138659511.db2.gz XVCBWILKZGWYIR-CQSZACIVSA-N 0 0 330.388 1.781 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCCCOC(C)C)CC2)no1 ZINC000173322564 138670041 /nfs/dbraw/zinc/67/00/41/138670041.db2.gz LCCVIOPJUSAWCN-UHFFFAOYSA-N 0 0 339.440 1.410 10 0 EDAERN CN(CC(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000035020589 213005272 /nfs/dbraw/zinc/00/52/72/213005272.db2.gz XZLGFRYZAYCPOR-LBPRGKRZSA-N 0 0 346.246 1.751 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)CCC3CCCC3)CCO2)[nH]1 ZINC000173514510 138671018 /nfs/dbraw/zinc/67/10/18/138671018.db2.gz ADKZVDZVSZVQAR-AWEZNQCLSA-N 0 0 349.435 1.100 10 0 EDAERN COC(=O)CCN(C(=O)c1ccc(Br)o1)C(C)(C)CO ZINC000071626162 215790670 /nfs/dbraw/zinc/79/06/70/215790670.db2.gz JPCMZZHLZRJMBJ-UHFFFAOYSA-N 0 0 348.193 1.818 10 0 EDAERN Cn1cc(CNS(=O)(=O)c2ccc(-c3ccncc3)cc2)cn1 ZINC000071710259 215797986 /nfs/dbraw/zinc/79/79/86/215797986.db2.gz XMQULNWZWNHXAE-UHFFFAOYSA-N 0 0 328.397 1.961 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3cn(CC(=O)C(C)(C)C)nn3)C2)cn1 ZINC000174913128 138689323 /nfs/dbraw/zinc/68/93/23/138689323.db2.gz ILFIRGNXMYAOLC-LBPRGKRZSA-N 0 0 344.419 1.257 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)C(C)C ZINC000178702911 138744457 /nfs/dbraw/zinc/74/44/57/138744457.db2.gz LFQDLPCPYXZEIM-OAHLLOKOSA-N 0 0 330.388 1.586 10 0 EDAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2cccs2)C1 ZINC000180255909 138757960 /nfs/dbraw/zinc/75/79/60/138757960.db2.gz FSSVTKQXPMMXJY-MNOVXSKESA-N 0 0 331.463 1.532 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C[C@H](C)O1 ZINC000180376412 138758847 /nfs/dbraw/zinc/75/88/47/138758847.db2.gz MNIZUOLBJAUZKS-RYUDHWBXSA-N 0 0 328.372 1.651 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1Cc1nc(CCc2ccccc2)no1 ZINC000173505681 237261460 /nfs/dbraw/zinc/26/14/60/237261460.db2.gz UJKRRNGKJGVSPV-OAHLLOKOSA-N 0 0 328.416 1.907 10 0 EDAERN O=C(CCc1ccc(O)cc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000183634908 138786118 /nfs/dbraw/zinc/78/61/18/138786118.db2.gz JPYYSWQOCFFXLL-OAHLLOKOSA-N 0 0 326.400 1.900 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)cc2C)n1 ZINC000183745804 138787545 /nfs/dbraw/zinc/78/75/45/138787545.db2.gz VLTPJUVGVMVDOX-LBPRGKRZSA-N 0 0 341.364 1.588 10 0 EDAERN C[C@H](NC(=O)CCc1cccc2c1OCO2)C(=O)N1CCCCC1 ZINC000184139892 138791769 /nfs/dbraw/zinc/79/17/69/138791769.db2.gz IOEFXSNEDNFQNO-ZDUSSCGKSA-N 0 0 332.400 1.865 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1nc3ccccn3n1)CC2 ZINC000184414257 138794785 /nfs/dbraw/zinc/79/47/85/138794785.db2.gz AQYLITSREODNMS-SNVBAGLBSA-N 0 0 326.364 1.020 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1c[nH]nc1C1CC1 ZINC000190062741 238191932 /nfs/dbraw/zinc/19/19/32/238191932.db2.gz PNHRZUNSXIVVJR-ZDUSSCGKSA-N 0 0 331.397 1.936 10 0 EDAERN COc1ccc(NC(=O)c2nnc3nc(SC)nn3c2C)cc1 ZINC000072452947 216239740 /nfs/dbraw/zinc/23/97/40/216239740.db2.gz BFSUYINFQGMDFM-UHFFFAOYSA-N 0 0 330.373 1.811 10 0 EDAERN CCc1nc2nnc3c(ccn(-c4ccc5[nH]ccc5c4)c3=O)n2n1 ZINC000072466736 216248066 /nfs/dbraw/zinc/24/80/66/216248066.db2.gz XGIWHIVKLKDXDB-UHFFFAOYSA-N 0 0 331.339 1.867 10 0 EDAERN Cc1cnn(Cc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)no2)c1 ZINC000130477185 223155675 /nfs/dbraw/zinc/15/56/75/223155675.db2.gz NFPGTWXTYXAZDL-INIZCTEOSA-N 0 0 340.387 1.939 10 0 EDAERN C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000073053243 216344843 /nfs/dbraw/zinc/34/48/43/216344843.db2.gz DTMWHBGHLHQEPE-NSHDSACASA-N 0 0 341.358 1.526 10 0 EDAERN CC[C@H](CCO)CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188360272 138839275 /nfs/dbraw/zinc/83/92/75/138839275.db2.gz MXSKSZYWZVGOHQ-FRRDWIJNSA-N 0 0 332.416 1.859 10 0 EDAERN Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000188840715 138853394 /nfs/dbraw/zinc/85/33/94/138853394.db2.gz KKVOBLVRERTNPQ-GFCCVEGCSA-N 0 0 330.363 1.670 10 0 EDAERN O=C(/C=C/c1cnc2ccccc2n1)N1CC(NC(=O)C2CCC2)C1 ZINC000189222255 138864505 /nfs/dbraw/zinc/86/45/05/138864505.db2.gz XLFVDVUZGPUUQH-CMDGGOBGSA-N 0 0 336.395 1.770 10 0 EDAERN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000189237226 138864937 /nfs/dbraw/zinc/86/49/37/138864937.db2.gz QBGVXGSLBBXHMZ-GOEBONIOSA-N 0 0 345.443 1.251 10 0 EDAERN O=C(CN1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000022829098 212326884 /nfs/dbraw/zinc/32/68/84/212326884.db2.gz BYQNAKXMKPRIRM-UHFFFAOYSA-N 0 0 327.222 1.242 10 0 EDAERN COCc1cccc(CC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000189456384 138874172 /nfs/dbraw/zinc/87/41/72/138874172.db2.gz BTSMVYNOIWQCBI-SFHVURJKSA-N 0 0 343.427 1.808 10 0 EDAERN C[C@H](NC(=O)[C@H]1CC(c2cccnc2)=NO1)c1nnc2n1CCCC2 ZINC000189478824 138875177 /nfs/dbraw/zinc/87/51/77/138875177.db2.gz YIBQWOLAVJIXNN-SMDDNHRTSA-N 0 0 340.387 1.380 10 0 EDAERN Cc1nnc(SCC(=O)N2CCC[C@H](N3CCOCC3)C2)s1 ZINC000020452266 212131189 /nfs/dbraw/zinc/13/11/89/212131189.db2.gz DHBSZPXSMRUFHX-LBPRGKRZSA-N 0 0 342.490 1.262 10 0 EDAERN CCN1C(=O)C[C@](CC(=O)N2CCOCC2)(c2ccccc2C)C1=O ZINC000020362770 212122650 /nfs/dbraw/zinc/12/26/50/212122650.db2.gz YVMHLDIKAYYJAQ-LJQANCHMSA-N 0 0 344.411 1.261 10 0 EDAERN C[C@@H](Nc1ccccc1I)C(=O)NC(N)=O ZINC000020300908 212117640 /nfs/dbraw/zinc/11/76/40/212117640.db2.gz QRWNKOWJNXZKGR-ZCFIWIBFSA-N 0 0 333.129 1.287 10 0 EDAERN O=C(CN[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 ZINC000020038673 212096303 /nfs/dbraw/zinc/09/63/03/212096303.db2.gz PCYLBDJQTQFGEF-LLVKDONJSA-N 0 0 347.234 1.164 10 0 EDAERN O=C(Nc1cnns1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000192368231 138943164 /nfs/dbraw/zinc/94/31/64/138943164.db2.gz DJNONKIQGJNBBF-CYBMUJFWSA-N 0 0 333.417 1.421 10 0 EDAERN Cc1cc(S(=O)(=O)NCc2cc[nH]n2)ccc1Br ZINC000040436344 213304002 /nfs/dbraw/zinc/30/40/02/213304002.db2.gz KEHGGRGHOKCYIH-UHFFFAOYSA-N 0 0 330.207 1.959 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@H](c2nncn2C)C1)C(C)C ZINC000193904322 138981168 /nfs/dbraw/zinc/98/11/68/138981168.db2.gz GGHWXXHTFHLMKQ-GOEBONIOSA-N 0 0 349.479 1.708 10 0 EDAERN Cc1ccc(NCc2nnc(C3CC3)n2C)cc1S(=O)(=O)N(C)C ZINC000194983622 139003817 /nfs/dbraw/zinc/00/38/17/139003817.db2.gz JPMVWQVZMVQHBB-UHFFFAOYSA-N 0 0 349.460 1.863 10 0 EDAERN CCc1nnc(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)n1C ZINC000195090502 139006711 /nfs/dbraw/zinc/00/67/11/139006711.db2.gz WNPUYWLBKHNZSE-CQSZACIVSA-N 0 0 342.447 1.932 10 0 EDAERN CCNC(=O)NC(=O)[C@@H](C)Oc1c(Br)cccc1CO ZINC000048797223 213966156 /nfs/dbraw/zinc/96/61/56/213966156.db2.gz IWRKJPGTBDKSDF-MRVPVSSYSA-N 0 0 345.193 1.554 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)NC1CCC(C)CC1 ZINC000195519666 139019522 /nfs/dbraw/zinc/01/95/22/139019522.db2.gz XQYPXDBPLBXRSZ-UHFFFAOYSA-N 0 0 327.450 1.513 10 0 EDAERN Nc1cc(Cl)c(S(=O)(=O)N2CCS(=O)CC2)c(Cl)c1 ZINC000049692492 214027598 /nfs/dbraw/zinc/02/75/98/214027598.db2.gz CGRBMWKSLGJPAV-UHFFFAOYSA-N 0 0 343.257 1.329 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2nn3cnnc3s2)cc1Cl ZINC000049722492 214028993 /nfs/dbraw/zinc/02/89/93/214028993.db2.gz NNZAZROAJOEWBJ-UHFFFAOYSA-N 0 0 343.821 1.626 10 0 EDAERN CC(C)NC(=O)CN1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000078526273 217068439 /nfs/dbraw/zinc/06/84/39/217068439.db2.gz ZHVNILOJYGSCAM-UHFFFAOYSA-N 0 0 326.444 1.877 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000135571760 223590546 /nfs/dbraw/zinc/59/05/46/223590546.db2.gz QIQSXOPZWZGZIA-CQSZACIVSA-N 0 0 337.387 1.496 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000110916909 220080380 /nfs/dbraw/zinc/08/03/80/220080380.db2.gz MLPIGJBVARXONM-QGZVFWFLSA-N 0 0 341.496 1.354 10 0 EDAERN COc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc(OC)c1C ZINC000111084453 220098015 /nfs/dbraw/zinc/09/80/15/220098015.db2.gz DDHMCHHAXYECON-HNNXBMFYSA-N 0 0 345.399 1.750 10 0 EDAERN CCOc1ccc(OCC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111086030 220099071 /nfs/dbraw/zinc/09/90/71/220099071.db2.gz XAGJNWIMHYUYAC-QGZVFWFLSA-N 0 0 345.399 1.588 10 0 EDAERN O=Cc1ccccc1OCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080812 220096408 /nfs/dbraw/zinc/09/64/08/220096408.db2.gz QQETWCFSNUDRCU-HNNXBMFYSA-N 0 0 329.356 1.002 10 0 EDAERN CN(C)[C@@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111080986 220097444 /nfs/dbraw/zinc/09/74/44/220097444.db2.gz AOQLQSCNFNVVGY-DLBZAZTESA-N 0 0 328.416 1.413 10 0 EDAERN Cc1ncc(CN2CCN(CC(=O)NCc3cccnc3)CC2)s1 ZINC000111227592 220115121 /nfs/dbraw/zinc/11/51/21/220115121.db2.gz HSQVWLDDDRAWQJ-UHFFFAOYSA-N 0 0 345.472 1.281 10 0 EDAERN CCn1cc(NC(=O)N2CCO[C@@H](c3nccs3)C2)ccc1=O ZINC000111415775 220152821 /nfs/dbraw/zinc/15/28/21/220152821.db2.gz YRGQCFGHJHHHLR-GFCCVEGCSA-N 0 0 334.401 1.930 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3c(C)noc3C)CCO2)n1 ZINC000111841029 220203470 /nfs/dbraw/zinc/20/34/70/220203470.db2.gz TWTDTTIWEDIEEF-OAHLLOKOSA-N 0 0 347.419 1.715 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](COC)c2ccc(C)o2)C[C@@H]1C ZINC000245435097 139074415 /nfs/dbraw/zinc/07/44/15/139074415.db2.gz SGLQYEPLCGXGIM-DZGCQCFKSA-N 0 0 339.436 1.638 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C)CCO2)c1 ZINC000112147904 220252907 /nfs/dbraw/zinc/25/29/07/220252907.db2.gz DLTHSTPHKRMPIX-HNNXBMFYSA-N 0 0 342.399 1.366 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C(=O)OC)c1ccccc1F ZINC000151203035 223794005 /nfs/dbraw/zinc/79/40/05/223794005.db2.gz OEPPOFYYYBGRKP-UKRRQHHQSA-N 0 0 348.378 1.902 10 0 EDAERN C[C@H]1CN(Cc2nc(-c3cccs3)no2)C[C@H]1N1CCOCC1 ZINC000246415806 139107547 /nfs/dbraw/zinc/10/75/47/139107547.db2.gz KGUYCWNUIPZOSP-QWHCGFSZSA-N 0 0 334.445 1.951 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2ccccc2Br)C[C@@H]1C ZINC000246624246 139115609 /nfs/dbraw/zinc/11/56/09/139115609.db2.gz DKNMPUFLEDOERC-RYUDHWBXSA-N 0 0 341.249 1.976 10 0 EDAERN CC(=O)NC[C@H]1CN(c2cc(N3CCC[C@H](C)C3)ncn2)CCO1 ZINC000246799935 139122107 /nfs/dbraw/zinc/12/21/07/139122107.db2.gz YOPODSVPKBCYRE-ZFWWWQNUSA-N 0 0 333.436 1.054 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@@H](O)COc3ccc(F)cc3)CCO2)[nH]1 ZINC000246952017 139128211 /nfs/dbraw/zinc/12/82/11/139128211.db2.gz KOTRMRPMQXHANF-HIFRSBDPSA-N 0 0 336.367 1.065 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(C)c(F)c2)C[C@@H]1C ZINC000246952615 139128219 /nfs/dbraw/zinc/12/82/19/139128219.db2.gz CVGKDIDGTWQJQI-ZDUSSCGKSA-N 0 0 330.425 1.475 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CCN(CCOC)[C@@H](C)C2)c1 ZINC000246991384 139129973 /nfs/dbraw/zinc/12/99/73/139129973.db2.gz AZMIZQRHFLMTHO-INIZCTEOSA-N 0 0 349.475 1.354 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NCc3ccccc3C)CCO2)[nH]1 ZINC000246969761 139129045 /nfs/dbraw/zinc/12/90/45/139129045.db2.gz LSUNXVZVETYPQO-XJKSGUPXSA-N 0 0 343.431 1.500 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC000247009057 139131180 /nfs/dbraw/zinc/13/11/80/139131180.db2.gz GZNLKRIUWFCMPB-OAHLLOKOSA-N 0 0 326.462 1.559 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(N)=S)cc1 ZINC000088296806 217744428 /nfs/dbraw/zinc/74/44/28/217744428.db2.gz BKMWERKRBHFICZ-GFCCVEGCSA-N 0 0 329.429 1.740 10 0 EDAERN C[C@H](C(=O)N(C)Cc1ccccc1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246995587 139130264 /nfs/dbraw/zinc/13/02/64/139130264.db2.gz BGMHQECVKYRQJN-YESZJQIVSA-N 0 0 333.476 1.420 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1[C@H]3CCO[C@H]3C1(C)C)CC2 ZINC000247088471 139135336 /nfs/dbraw/zinc/13/53/36/139135336.db2.gz ULTKFAMGKARQPQ-QHSBEEBCSA-N 0 0 347.463 1.829 10 0 EDAERN C[C@@H](C1CC1)N(C(=O)CN1CCO[C@@H](Cn2cccn2)C1)C1CC1 ZINC000247098792 139135493 /nfs/dbraw/zinc/13/54/93/139135493.db2.gz IDBGZMNDJNGATB-WMLDXEAASA-N 0 0 332.448 1.373 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000247101893 139135520 /nfs/dbraw/zinc/13/55/20/139135520.db2.gz VCNPVDWGPFKCJJ-TUAOUCFPSA-N 0 0 338.354 1.954 10 0 EDAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000247208502 139140644 /nfs/dbraw/zinc/14/06/44/139140644.db2.gz UZZZCAZQVLGWHV-GOEBONIOSA-N 0 0 335.423 1.868 10 0 EDAERN CCOC(=O)/C=C/C(=O)NC(=S)Nc1ccc(C(=O)OC)cc1 ZINC000012495281 211393782 /nfs/dbraw/zinc/39/37/82/211393782.db2.gz XCTZOHAPNUWSLI-CMDGGOBGSA-N 0 0 336.369 1.406 10 0 EDAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)c1nc[nH]n1 ZINC000248076229 139158071 /nfs/dbraw/zinc/15/80/71/139158071.db2.gz RAZGQELXCZEVPD-WFBYXXMGSA-N 0 0 331.351 1.341 10 0 EDAERN CO[C@H](C)CS(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000248653300 139170271 /nfs/dbraw/zinc/17/02/71/139170271.db2.gz OOPWNJMHEDGCSX-VNQPRFMTSA-N 0 0 327.446 1.939 10 0 EDAERN COc1ccccc1OS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1C ZINC000011635288 211227752 /nfs/dbraw/zinc/22/77/52/211227752.db2.gz VABBVQKTDYHOQB-UHFFFAOYSA-N 0 0 334.353 1.941 10 0 EDAERN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091782893 218065905 /nfs/dbraw/zinc/06/59/05/218065905.db2.gz OIUQYCHMTOVYQQ-ZWNOBZJWSA-N 0 0 344.333 1.597 10 0 EDAERN Cc1nc(-c2cccs2)sc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783443 218066092 /nfs/dbraw/zinc/06/60/92/218066092.db2.gz ZQYKHFCFYMKPOH-SECBINFHSA-N 0 0 337.426 1.506 10 0 EDAERN Cc1cc(O[C@H](C)C(=O)N2CCOC[C@H]2C(N)=O)ccc1C(C)C ZINC000091784788 218066140 /nfs/dbraw/zinc/06/61/40/218066140.db2.gz PGHDOYFBAPXUGZ-CJNGLKHVSA-N 0 0 334.416 1.598 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2cc(F)ccc2C1 ZINC000092006762 218103277 /nfs/dbraw/zinc/10/32/77/218103277.db2.gz HBXIIJKWVWCJTN-QGZVFWFLSA-N 0 0 341.386 1.990 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2)C12CCOCC2 ZINC000248715293 139172830 /nfs/dbraw/zinc/17/28/30/139172830.db2.gz NMHBAYUAXIDWNA-BRWVUGGUSA-N 0 0 348.443 1.993 10 0 EDAERN COc1cccc(-c2nc(CN3CCOC[C@@H]3C(N)=O)cs2)c1 ZINC000092229087 218127497 /nfs/dbraw/zinc/12/74/97/218127497.db2.gz UZTDVELEIWRELG-CQSZACIVSA-N 0 0 333.413 1.505 10 0 EDAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000092465802 218143835 /nfs/dbraw/zinc/14/38/35/218143835.db2.gz AXXHSJGXCCISJK-VXGBXAGGSA-N 0 0 329.422 1.372 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000248926957 139180940 /nfs/dbraw/zinc/18/09/40/139180940.db2.gz GCEMOQMXZLTJOB-AVGNSLFASA-N 0 0 349.456 1.809 10 0 EDAERN COc1ccc(C[C@@H]2COCC[C@@H]2S(=O)(=O)NC2CC2)cc1 ZINC000095076277 218274014 /nfs/dbraw/zinc/27/40/14/218274014.db2.gz ZWUQMKOMOREVRC-CJNGLKHVSA-N 0 0 325.430 1.725 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ncc(F)cn2)C1 ZINC000095084853 218276793 /nfs/dbraw/zinc/27/67/93/218276793.db2.gz DATDJKUOHPMDEF-LLVKDONJSA-N 0 0 345.396 1.789 10 0 EDAERN Cc1cccc(F)c1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000253153328 139205452 /nfs/dbraw/zinc/20/54/52/139205452.db2.gz UFNTVOQLAPCHSQ-ZFWWWQNUSA-N 0 0 342.436 1.475 10 0 EDAERN CC[C@@H]1CN(C(=O)NC[C@H](C)N2CCOCC2)CCN1CC(F)F ZINC000252736393 139205234 /nfs/dbraw/zinc/20/52/34/139205234.db2.gz URQHNFDBDMSYQB-UONOGXRCSA-N 0 0 348.438 1.078 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 ZINC000152026250 223899501 /nfs/dbraw/zinc/89/95/01/223899501.db2.gz JGKVQPQRHKSNHU-GXFFZTMASA-N 0 0 348.790 1.961 10 0 EDAERN COc1cc(N)ccc1[S@@](=O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000166203254 532952276 /nfs/dbraw/zinc/95/22/76/532952276.db2.gz QIWZNHLMTAFNRY-JOOBJXAISA-N 0 0 331.459 1.741 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)cc1F ZINC000173983517 533045790 /nfs/dbraw/zinc/04/57/90/533045790.db2.gz SGHSITQZBBGTTE-LLVKDONJSA-N 0 0 340.380 1.452 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000180979837 533046576 /nfs/dbraw/zinc/04/65/76/533046576.db2.gz JSNVCBODKSLKNW-ZDUSSCGKSA-N 0 0 336.417 1.388 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cnn(C)c2)ncn1 ZINC000174653224 533052906 /nfs/dbraw/zinc/05/29/06/533052906.db2.gz YANBWCXVRUITST-LBPRGKRZSA-N 0 0 330.396 1.042 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c(C)c1F ZINC000181680138 533068949 /nfs/dbraw/zinc/06/89/49/533068949.db2.gz KZNWKDCTRMZVGX-JTQLQIEISA-N 0 0 340.380 1.028 10 0 EDAERN COCCOCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171800725 533083019 /nfs/dbraw/zinc/08/30/19/533083019.db2.gz DZQMZVKZVMZWAI-DOTOQJQBSA-N 0 0 334.416 1.375 10 0 EDAERN COCCOCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171800720 533083238 /nfs/dbraw/zinc/08/32/38/533083238.db2.gz DZQMZVKZVMZWAI-NVXWUHKLSA-N 0 0 334.416 1.375 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)NC[C@@H]1C[C@@H]1C ZINC000160045724 533086957 /nfs/dbraw/zinc/08/69/57/533086957.db2.gz XEBLBHOZBPGBFA-YUMQZZPRSA-N 0 0 334.239 1.820 10 0 EDAERN CSc1nnc(Sc2nc(Cl)nc(-n3cncn3)n2)s1 ZINC000161730768 533090192 /nfs/dbraw/zinc/09/01/92/533090192.db2.gz XTDMGXUNTUPYNE-UHFFFAOYSA-N 0 0 344.838 1.830 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(OCC(F)(F)F)nc1 ZINC000112647476 220362911 /nfs/dbraw/zinc/36/29/11/220362911.db2.gz AJJCQJCVTOULPQ-SNVBAGLBSA-N 0 0 341.293 1.359 10 0 EDAERN CCCOc1ccc(OCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112652019 220364560 /nfs/dbraw/zinc/36/45/60/220364560.db2.gz HTUYTJTXNUIMHQ-ZDUSSCGKSA-N 0 0 330.388 1.577 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000112658726 220367391 /nfs/dbraw/zinc/36/73/91/220367391.db2.gz AHRFABCBNHXKGV-HOCLYGCPSA-N 0 0 342.399 1.581 10 0 EDAERN CCOC(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112712341 220383460 /nfs/dbraw/zinc/38/34/60/220383460.db2.gz MUJBRMUXOZOOMO-ZDUSSCGKSA-N 0 0 329.360 1.591 10 0 EDAERN CCOCCCNC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000112714269 220384646 /nfs/dbraw/zinc/38/46/46/220384646.db2.gz XIWANQARQOVQFL-UHFFFAOYSA-N 0 0 337.468 1.547 10 0 EDAERN O=C1N[C@]2(C(=O)Nc3ccc(-c4ccccc4)cc32)N2CCOC[C@H]12 ZINC000093883621 296397636 /nfs/dbraw/zinc/39/76/36/296397636.db2.gz QCBYXGCRZSCUOG-APWZRJJASA-N 0 0 335.363 1.289 10 0 EDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)cn1 ZINC000153953081 224181507 /nfs/dbraw/zinc/18/15/07/224181507.db2.gz NNATXICUTIDPIM-VIFPVBQESA-N 0 0 341.824 1.229 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3nc(CC)nn3C2)C1 ZINC000114865726 220769451 /nfs/dbraw/zinc/76/94/51/220769451.db2.gz JRHOTUMXCLPAKF-OLZOCXBDSA-N 0 0 349.435 1.140 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1(NC(C)=O)CCCCC1)CC2 ZINC000114871316 220771727 /nfs/dbraw/zinc/77/17/27/220771727.db2.gz VCZNAEPLEUYWEK-ZDUSSCGKSA-N 0 0 333.436 1.111 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1c[nH]nc1-c1ccccc1F ZINC000154462904 224256861 /nfs/dbraw/zinc/25/68/61/224256861.db2.gz XQHGEIMYWZJITP-SNVBAGLBSA-N 0 0 326.335 1.552 10 0 EDAERN CCOc1cc2c(cc1/C=C\C(=O)N1CC(NC(C)=O)C1)O[C@@H](C)C2 ZINC000491974491 255157195 /nfs/dbraw/zinc/15/71/95/255157195.db2.gz VHEFFYGNKKILSE-FJOGCWAESA-N 0 0 344.411 1.769 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000116899996 221009636 /nfs/dbraw/zinc/00/96/36/221009636.db2.gz BMOYPXKYHVWUJH-OAHLLOKOSA-N 0 0 334.445 1.996 10 0 EDAERN CN1C(=O)C[C@@H](NCc2cc(Cl)ccc2Br)C1=O ZINC000116843726 221000411 /nfs/dbraw/zinc/00/04/11/221000411.db2.gz QLACGZVLCZLGSQ-SNVBAGLBSA-N 0 0 331.597 1.949 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)Cc2ccccc2C)CCN1CCOC ZINC000117371664 221058357 /nfs/dbraw/zinc/05/83/57/221058357.db2.gz NPUCMHJTYJVZMG-KRWDZBQOSA-N 0 0 340.489 1.867 10 0 EDAERN COCCN1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C[C@H]1C ZINC000117425339 221061734 /nfs/dbraw/zinc/06/17/34/221061734.db2.gz AZLPXESOEUYPQM-IAGOWNOFSA-N 0 0 345.487 1.612 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnn3ccc(C)nc23)C[C@@H]1C ZINC000117283801 221043036 /nfs/dbraw/zinc/04/30/36/221043036.db2.gz FQHTXXPGBCGVIN-AWEZNQCLSA-N 0 0 331.420 1.221 10 0 EDAERN COCCN1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C[C@@H]1C ZINC000117296487 221047956 /nfs/dbraw/zinc/04/79/56/221047956.db2.gz IMVKSJVBMYVBSR-AWEZNQCLSA-N 0 0 330.428 1.537 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc(OC)cc2OC)CCN1CCOC ZINC000117306863 221051104 /nfs/dbraw/zinc/05/11/04/221051104.db2.gz QOMISDUVCFNHMP-CQSZACIVSA-N 0 0 336.432 1.887 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000117793205 221089699 /nfs/dbraw/zinc/08/96/99/221089699.db2.gz PDVYIGBHZWREQJ-ZDUSSCGKSA-N 0 0 329.404 1.867 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000117792668 221089768 /nfs/dbraw/zinc/08/97/68/221089768.db2.gz GRLCYDDWXSKUOT-ZDUSSCGKSA-N 0 0 327.388 1.742 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000118132800 221128669 /nfs/dbraw/zinc/12/86/69/221128669.db2.gz HKBQUZDUKKJKRF-UHFFFAOYSA-N 0 0 338.314 1.548 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000118080393 221112665 /nfs/dbraw/zinc/11/26/65/221112665.db2.gz WCIOQXRIZVQARN-UHFFFAOYSA-N 0 0 327.432 1.719 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000118078990 221113107 /nfs/dbraw/zinc/11/31/07/221113107.db2.gz PSICMETZQGBBMM-LBPRGKRZSA-N 0 0 330.392 1.743 10 0 EDAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000118303056 221137655 /nfs/dbraw/zinc/13/76/55/221137655.db2.gz AZOVDVVHYITYDW-XJKCOSOUSA-N 0 0 329.404 1.401 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000118797155 221185211 /nfs/dbraw/zinc/18/52/11/221185211.db2.gz LYOLBVPISFYJGY-OAHLLOKOSA-N 0 0 344.415 1.898 10 0 EDAERN O=C1[C@H]2CS(=O)(=O)CCN2C(=O)N1C[C@@H]1C[C@H]1C1CCCCC1 ZINC000333576073 296436978 /nfs/dbraw/zinc/43/69/78/296436978.db2.gz SRTHYQGATHPEAM-MELADBBJSA-N 0 0 340.445 1.264 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1F ZINC000118981022 221215592 /nfs/dbraw/zinc/21/55/92/221215592.db2.gz MPQOWDONRNFPNM-AWEZNQCLSA-N 0 0 345.378 1.782 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(CCCS(=O)(=O)C(C)C)C1 ZINC000119713977 221384179 /nfs/dbraw/zinc/38/41/79/221384179.db2.gz CSWWYSXPLBUJJH-AWEZNQCLSA-N 0 0 328.482 1.691 10 0 EDAERN CO[C@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000120191797 221508410 /nfs/dbraw/zinc/50/84/10/221508410.db2.gz NZUHTUZQIQYYJJ-WBMJQRKESA-N 0 0 348.424 1.899 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1O ZINC000186849734 533228979 /nfs/dbraw/zinc/22/89/79/533228979.db2.gz XMROVBPHJZTKDG-KEDPEKRHSA-N 0 0 342.399 1.944 10 0 EDAERN COCCN1C(=O)C[C@@H]2[C@H]1CCN2S(=O)(=O)c1cccc(C)c1 ZINC000248000801 257669969 /nfs/dbraw/zinc/66/99/69/257669969.db2.gz CZHJANJKASYYOQ-HUUCEWRRSA-N 0 0 338.429 1.005 10 0 EDAERN COc1cc(N2C[C@H](C)[C@]3(CCN(c4cccnc4)C3=O)C2)ncn1 ZINC000247914957 257674298 /nfs/dbraw/zinc/67/42/98/257674298.db2.gz VOZLMINXSPWEBG-UGSOOPFHSA-N 0 0 339.399 1.760 10 0 EDAERN O=C(c1ccsc1)N1C[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC000247865979 257676890 /nfs/dbraw/zinc/67/68/90/257676890.db2.gz ORAFTVRXGXBDJM-ILXRZTDVSA-N 0 0 334.441 1.990 10 0 EDAERN C[C@@H](NC(=O)[C@@]1(C)CCCS1)c1cccc(S(N)(=O)=O)c1 ZINC000164928476 533256990 /nfs/dbraw/zinc/25/69/90/533256990.db2.gz LBHCVZQOWUXWKW-QMTHXVAHSA-N 0 0 328.459 1.797 10 0 EDAERN COC[C@@H](O)CN(C)c1ccnc2cc(Br)cnc21 ZINC000135535433 533361445 /nfs/dbraw/zinc/36/14/45/533361445.db2.gz ZKYRNDPOQHXANZ-JTQLQIEISA-N 0 0 326.194 1.836 10 0 EDAERN COC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1C ZINC000158652434 533649855 /nfs/dbraw/zinc/64/98/55/533649855.db2.gz FGJABDHXJDTBKT-GFCCVEGCSA-N 0 0 331.376 1.487 10 0 EDAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330154074 304295557 /nfs/dbraw/zinc/29/55/57/304295557.db2.gz XPSQLIYVIQHYSI-PWSUYJOCSA-N 0 0 328.328 1.365 10 0 EDAERN O=C1COCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000041452316 132410280 /nfs/dbraw/zinc/41/02/80/132410280.db2.gz KBGPXKXIRTYEKG-UHFFFAOYSA-N 0 0 338.429 1.615 10 0 EDAERN C[C@H](O)c1ccc(N2CCN(CCO)CC2)c(Br)c1 ZINC000061695653 132805208 /nfs/dbraw/zinc/80/52/08/132805208.db2.gz NLUAYGZDHLPZFS-NSHDSACASA-N 0 0 329.238 1.617 10 0 EDAERN C[C@H]1CCO[C@H]1c1nnc(N2CCO[C@H](C)C2)n1C[C@H]1CCCO1 ZINC000328745144 140673091 /nfs/dbraw/zinc/67/30/91/140673091.db2.gz KVGSMPPMPKJZES-GBJTYRQASA-N 0 0 336.436 1.780 10 0 EDAERN O=C(CN1CCN(Cc2ccon2)CC1)Nc1nc2c(s1)CCC2 ZINC000333006321 141249243 /nfs/dbraw/zinc/24/92/43/141249243.db2.gz ADKHPODZGPJWGL-UHFFFAOYSA-N 0 0 347.444 1.376 10 0 EDAERN O=C(CN1CCC[C@@H](c2nnc[nH]2)C1)Nc1nc2c(s1)CCC2 ZINC000333015315 141250537 /nfs/dbraw/zinc/25/05/37/141250537.db2.gz BXFVARAXUULZLB-SNVBAGLBSA-N 0 0 332.433 1.568 10 0 EDAERN O=C([C@H]1CC(=O)C[C@@H]1C(=O)N1CCC12CCC2)N1CCC12CCC2 ZINC000333413845 161655992 /nfs/dbraw/zinc/65/59/92/161655992.db2.gz DQPZUHQMLLVCQF-GJZGRUSLSA-N 0 0 330.428 1.892 10 0 EDAERN C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000075775679 287278879 /nfs/dbraw/zinc/27/88/79/287278879.db2.gz DFKIPWWKJCCJTI-NSHDSACASA-N 0 0 334.397 1.280 10 0 EDAERN O=C(NCC1CC(O)C1)c1cccc(I)c1 ZINC000084446135 287317585 /nfs/dbraw/zinc/31/75/85/287317585.db2.gz CRBBPFDHSZVJHH-UHFFFAOYSA-N 0 0 331.153 1.792 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000091049920 287332027 /nfs/dbraw/zinc/33/20/27/287332027.db2.gz MVSNYIDWTCRSCI-YPMHNXCESA-N 0 0 342.465 1.216 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)C2)cn1 ZINC000116410241 287346463 /nfs/dbraw/zinc/34/64/63/287346463.db2.gz FPTFATDZYQYRQV-JTQLQIEISA-N 0 0 339.355 1.325 10 0 EDAERN CN(C)CCn1ncc(Cl)c1[C@H](O)[C@@H]1CCCCS1(=O)=O ZINC000158667101 225063423 /nfs/dbraw/zinc/06/34/23/225063423.db2.gz AEDGYLDLGFLOSX-WCQYABFASA-N 0 0 335.857 1.099 10 0 EDAERN CN(C)CCn1ncc(Cl)c1[C@@H](O)[C@H]1CCCCS1(=O)=O ZINC000158667504 225064156 /nfs/dbraw/zinc/06/41/56/225064156.db2.gz AEDGYLDLGFLOSX-YPMHNXCESA-N 0 0 335.857 1.099 10 0 EDAERN Cc1cc(Br)cnc1N1CCOC[C@@H]1C(=O)NC(C)C ZINC000159235752 225177197 /nfs/dbraw/zinc/17/71/97/225177197.db2.gz QZTBWUQKBGMPNT-GFCCVEGCSA-N 0 0 342.237 1.882 10 0 EDAERN C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ncncc1I ZINC000160123527 225343243 /nfs/dbraw/zinc/34/32/43/225343243.db2.gz OBTMDEPEZIGXHT-SCZZXKLOSA-N 0 0 332.189 1.833 10 0 EDAERN O=C(Nc1cc(F)ccc1OC(F)F)C(=O)N1CCC[C@H]1CO ZINC000120915784 287365745 /nfs/dbraw/zinc/36/57/45/287365745.db2.gz RHEXOFGGCMNFFN-VIFPVBQESA-N 0 0 332.278 1.349 10 0 EDAERN NS(=O)(=O)Nc1cc(Br)ccc1Br ZINC000163928739 226029304 /nfs/dbraw/zinc/02/93/04/226029304.db2.gz ZVCIMZFVSJFJSB-UHFFFAOYSA-N 0 0 330.001 1.827 10 0 EDAERN Cc1c(CO)cc(Cl)cc1S(=O)(=O)N[C@H](C)[C@H]1CCOC1 ZINC000167023986 226176250 /nfs/dbraw/zinc/17/62/50/226176250.db2.gz IXGWEFSTDNAUQN-MNOVXSKESA-N 0 0 333.837 1.844 10 0 EDAERN Nc1ccc(Br)cc1[S@](=O)CCN1CCNC1=O ZINC000167134720 226181011 /nfs/dbraw/zinc/18/10/11/226181011.db2.gz CXWIMUKQEQGWQO-SFHVURJKSA-N 0 0 332.223 1.164 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(Br)cn1C1CC1 ZINC000167183150 226182190 /nfs/dbraw/zinc/18/21/90/226182190.db2.gz WRWOYMFVNHNFLK-BXKDBHETSA-N 0 0 343.221 1.807 10 0 EDAERN NC(=O)C1CCN(C(=O)c2cc(N)cc(Br)c2)CC1 ZINC000165147407 226112087 /nfs/dbraw/zinc/11/20/87/226112087.db2.gz XOLSDUOFPDJXRC-UHFFFAOYSA-N 0 0 326.194 1.369 10 0 EDAERN [NH3+][C@H]1CCCC[C@@H]1CNc1nc[n-]c(=O)c1I ZINC000165454640 226125343 /nfs/dbraw/zinc/12/53/43/226125343.db2.gz SWXOFLHOOFIQHD-SFYZADRCSA-N 0 0 348.188 1.304 10 0 EDAERN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(N)cc(Cl)c2)C1 ZINC000165545808 226128735 /nfs/dbraw/zinc/12/87/35/226128735.db2.gz CCAOKCQRLYJBHS-LBPRGKRZSA-N 0 0 331.825 1.076 10 0 EDAERN Nc1cc(Cl)cc(C(=O)Nc2ccccc2S(N)(=O)=O)c1 ZINC000165740788 226135435 /nfs/dbraw/zinc/13/54/35/226135435.db2.gz LKEYANKBSOQSHI-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N2CCC[C@@H]2CO)c1Cl ZINC000165918117 226140083 /nfs/dbraw/zinc/14/00/83/226140083.db2.gz XMAWKHXPXNABOZ-SSDOTTSWSA-N 0 0 325.217 1.721 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cc(N)ccc2Br)CC[C@@H]1O ZINC000165971684 226141866 /nfs/dbraw/zinc/14/18/66/226141866.db2.gz BQVFNELWNAPRAK-KWQFWETISA-N 0 0 349.250 1.423 10 0 EDAERN O=c1c(I)c(Cl)ncn1C[C@@H]1CCCO1 ZINC000166338156 226154886 /nfs/dbraw/zinc/15/48/86/226154886.db2.gz MBZTZUNEZDVUJS-LURJTMIESA-N 0 0 340.548 1.680 10 0 EDAERN O=S(=O)(c1cc(Cl)sc1Cl)N1CCOC[C@H]1CO ZINC000168663523 226221110 /nfs/dbraw/zinc/22/11/10/226221110.db2.gz AQHIHNIQTBMJRT-ZCFIWIBFSA-N 0 0 332.230 1.437 10 0 EDAERN NC(=S)c1c(Br)cccc1N[C@H]1CCCNC1=O ZINC000168726951 226221144 /nfs/dbraw/zinc/22/11/44/226221144.db2.gz ZVJXTJSATSZKGK-VIFPVBQESA-N 0 0 328.235 1.774 10 0 EDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 ZINC000171433025 227077466 /nfs/dbraw/zinc/07/74/66/227077466.db2.gz AOOCGRFZZDOQNH-CQSZACIVSA-N 0 0 347.400 1.116 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ncn(C)n1 ZINC000120768969 221670590 /nfs/dbraw/zinc/67/05/90/221670590.db2.gz IPKXAZOKRJQVPQ-SWLSCSKDSA-N 0 0 329.404 1.276 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000121285033 221805952 /nfs/dbraw/zinc/80/59/52/221805952.db2.gz XPUFDMCISGXEEV-NSHDSACASA-N 0 0 341.770 1.545 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(F)c1C ZINC000121691523 221906799 /nfs/dbraw/zinc/90/67/99/221906799.db2.gz PHILSKCSNXTMEC-CYBMUJFWSA-N 0 0 345.378 1.878 10 0 EDAERN O=C(NCc1ccco1)Nc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000122020293 221996882 /nfs/dbraw/zinc/99/68/82/221996882.db2.gz URUHJELGPDOTQE-LLVKDONJSA-N 0 0 342.355 1.676 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000122684406 222137972 /nfs/dbraw/zinc/13/79/72/222137972.db2.gz BWTPRLLAUDWWJZ-CQSZACIVSA-N 0 0 330.388 1.704 10 0 EDAERN COCCC1(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCC1 ZINC000123813972 222335898 /nfs/dbraw/zinc/33/58/98/222335898.db2.gz LKEAWJVTXLNVFS-OAHLLOKOSA-N 0 0 333.432 1.589 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000123633809 222308098 /nfs/dbraw/zinc/30/80/98/222308098.db2.gz RQXMWMASNXMONC-HNNXBMFYSA-N 0 0 335.452 1.836 10 0 EDAERN Cc1ccccc1-n1nccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000124209638 222391939 /nfs/dbraw/zinc/39/19/39/222391939.db2.gz NVELSBBIHBEVBN-DZGCQCFKSA-N 0 0 342.399 1.803 10 0 EDAERN C[C@]1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCS(=O)(=O)C1 ZINC000171738016 227257331 /nfs/dbraw/zinc/25/73/31/227257331.db2.gz GBBUNFFCUGFVDQ-ZETOZRRWSA-N 0 0 329.368 1.762 10 0 EDAERN O=S(=O)(CCc1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171778600 227277762 /nfs/dbraw/zinc/27/77/62/227277762.db2.gz WPVXAGLZPFRLPF-INIZCTEOSA-N 0 0 335.429 1.156 10 0 EDAERN COCCN(CCOC)S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000172073167 227452014 /nfs/dbraw/zinc/45/20/14/227452014.db2.gz ZKAHXKWYHTWPCS-ZDUSSCGKSA-N 0 0 332.422 1.256 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132691203 287529278 /nfs/dbraw/zinc/52/92/78/287529278.db2.gz OGXAGJLUAKGFOI-QEJZJMRPSA-N 0 0 344.415 1.466 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cccnc2Nc2ccccc2F)C1 ZINC000191489984 272979852 /nfs/dbraw/zinc/97/98/52/272979852.db2.gz QGPTXDSDNLFFFL-UHFFFAOYSA-N 0 0 328.347 1.925 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCCOc1ccc(F)cc1)C(C)C ZINC000192662933 272985268 /nfs/dbraw/zinc/98/52/68/272985268.db2.gz AQJWXJWKZAEHIH-CQSZACIVSA-N 0 0 325.384 1.664 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000193576590 272996113 /nfs/dbraw/zinc/99/61/13/272996113.db2.gz RYPOJCHYNHWNOQ-DNVCBOLYSA-N 0 0 346.427 1.925 10 0 EDAERN C[C@H](CCn1c(=O)[nH]c2ccccc2c1=O)NC(=O)OC(C)(C)C ZINC000179196183 267613278 /nfs/dbraw/zinc/61/32/78/267613278.db2.gz XKJHOIJLFMNTIO-LLVKDONJSA-N 0 0 333.388 1.993 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC[C@H]1O ZINC000186640840 267720380 /nfs/dbraw/zinc/72/03/80/267720380.db2.gz VBNLDIWCEAQXAF-YIYPIFLZSA-N 0 0 326.437 1.909 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H](O)C2(C)C)C1 ZINC000250117613 267939197 /nfs/dbraw/zinc/93/91/97/267939197.db2.gz URLDWACDIOYSDI-LOWDOPEQSA-N 0 0 326.437 1.955 10 0 EDAERN Cc1cnn(Cc2cc(C(=O)N3CCC[C@@H](n4cncn4)C3)no2)c1 ZINC000131172054 272926213 /nfs/dbraw/zinc/92/62/13/272926213.db2.gz UFOQHYDHGLKDGZ-CYBMUJFWSA-N 0 0 341.375 1.297 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177609545 272941452 /nfs/dbraw/zinc/94/14/52/272941452.db2.gz XEWOKKKZOHDVKN-YVEFUNNKSA-N 0 0 349.435 1.876 10 0 EDAERN O=C(CCNC(=O)c1ccsc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177736328 272941816 /nfs/dbraw/zinc/94/18/16/272941816.db2.gz HJNDNLSUWCUASG-CQSZACIVSA-N 0 0 332.429 1.756 10 0 EDAERN COc1ccc(O)cc1C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000186676906 272946298 /nfs/dbraw/zinc/94/62/98/272946298.db2.gz GQOQRZNJZYNRCE-UHFFFAOYSA-N 0 0 342.399 1.932 10 0 EDAERN C[C@H]1CN(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000245505497 287712351 /nfs/dbraw/zinc/71/23/51/287712351.db2.gz MFQBUQWJNIGUNX-QMHWVQJVSA-N 0 0 325.453 1.305 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CO)C2)C1 ZINC000246667011 287747652 /nfs/dbraw/zinc/74/76/52/287747652.db2.gz LXWQKXZETTUJGT-HZSPNIEDSA-N 0 0 326.437 1.911 10 0 EDAERN COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246602991 277115942 /nfs/dbraw/zinc/11/59/42/277115942.db2.gz QSZLBINCKIIDFN-UNEWFSDZSA-N 0 0 346.427 1.864 10 0 EDAERN COc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000176018288 277380436 /nfs/dbraw/zinc/38/04/36/277380436.db2.gz NDQSQDWBOBZRHH-GFCCVEGCSA-N 0 0 347.350 1.324 10 0 EDAERN CCN(C)C(=O)CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000186205806 279019247 /nfs/dbraw/zinc/01/92/47/279019247.db2.gz LLWPFZAPYBYHQL-CVEARBPZSA-N 0 0 333.432 1.762 10 0 EDAERN Cc1nc2c(cnn2C)c(N2CC(C)(C)O[C@]3(CCCOC3)C2)n1 ZINC000330065695 279113762 /nfs/dbraw/zinc/11/37/62/279113762.db2.gz DFAZWIHHGHVADW-QGZVFWFLSA-N 0 0 331.420 1.836 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000162223808 279920249 /nfs/dbraw/zinc/92/02/49/279920249.db2.gz MKUVZHAUSWZRFR-STQMWFEESA-N 0 0 325.430 1.955 10 0 EDAERN CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176104039 279977878 /nfs/dbraw/zinc/97/78/78/279977878.db2.gz KYXIRXORWHXRHV-GFCCVEGCSA-N 0 0 329.360 1.267 10 0 EDAERN O=C(c1ccccn1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096110888 280214679 /nfs/dbraw/zinc/21/46/79/280214679.db2.gz FISTUZXVOLWYNB-KSSFIOAISA-N 0 0 325.368 1.929 10 0 EDAERN CN(C(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2)C1CC1 ZINC000105134180 281894405 /nfs/dbraw/zinc/89/44/05/281894405.db2.gz NCPRIGXRNXOBCY-UHFFFAOYSA-N 0 0 346.412 1.241 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)CCS(C)(=O)=O)o1 ZINC000173717761 288551834 /nfs/dbraw/zinc/55/18/34/288551834.db2.gz OZKNRRIEXDOTOR-ZDUSSCGKSA-N 0 0 349.474 1.743 10 0 EDAERN C[C@@H]1C[C@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC(C)(C)C1 ZINC000184061441 288612603 /nfs/dbraw/zinc/61/26/03/288612603.db2.gz FIYLUOYUQJVUDJ-OLZOCXBDSA-N 0 0 335.448 1.992 10 0 EDAERN Cc1nc2c(nccc2C(=O)NC[C@H](CC(C)C)N2CCOCC2)[nH]1 ZINC000333215514 293418077 /nfs/dbraw/zinc/41/80/77/293418077.db2.gz CLBFDUFROTXEOY-AWEZNQCLSA-N 0 0 345.447 1.743 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000081579158 293506243 /nfs/dbraw/zinc/50/62/43/293506243.db2.gz LIVXOAMKNGZCDX-ZFWWWQNUSA-N 0 0 325.372 1.731 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(C)cc2C)n1 ZINC000183743612 293981717 /nfs/dbraw/zinc/98/17/17/293981717.db2.gz JJYPIWMORIPONH-CYBMUJFWSA-N 0 0 337.401 1.757 10 0 EDAERN C[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)N1CCCCC1=O ZINC000328717149 298291208 /nfs/dbraw/zinc/29/12/08/298291208.db2.gz FDZISLVTAWDJRA-CVEARBPZSA-N 0 0 337.464 1.101 10 0 EDAERN C[C@H](CS(=O)(=O)N1CCOC[C@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000329036087 298823060 /nfs/dbraw/zinc/82/30/60/298823060.db2.gz CHIWIGPFTGXTQX-PVAVHDDUSA-N 0 0 339.457 2.000 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1 ZINC000117987311 302402246 /nfs/dbraw/zinc/40/22/46/302402246.db2.gz ZIEYPERDIMUJNG-OAHLLOKOSA-N 0 0 342.399 1.318 10 0 EDAERN Cn1nncc1S(=O)(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000330156478 303110710 /nfs/dbraw/zinc/11/07/10/303110710.db2.gz PFQAQAFHVFJHEL-AAEUAGOBSA-N 0 0 342.808 1.277 10 0 EDAERN O=C(CSCC(=O)N1CCOCC1)N1CCC[C@H]1c1ccco1 ZINC000116211028 303637248 /nfs/dbraw/zinc/63/72/48/303637248.db2.gz LWDKJFJMPYADPG-ZDUSSCGKSA-N 0 0 338.429 1.535 10 0 EDAERN CCSc1nnc(N)n1CC(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000001922621 440853584 /nfs/dbraw/zinc/85/35/84/440853584.db2.gz VKZZGFIPGPBMOA-UHFFFAOYSA-N 0 0 340.434 1.579 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3CCOc4ccccc43)cc2[nH]1 ZINC000007687040 441063991 /nfs/dbraw/zinc/06/39/91/441063991.db2.gz JENXJDNAFNBELA-GFCCVEGCSA-N 0 0 345.380 1.658 10 0 EDAERN CC(=O)Nc1ccc(C(=O)N2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC000071405852 441145654 /nfs/dbraw/zinc/14/56/54/441145654.db2.gz HZBVKKOYEZXDJL-LBPRGKRZSA-N 0 0 332.278 1.754 10 0 EDAERN COCCc1noc(CO[C@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000097942605 441146669 /nfs/dbraw/zinc/14/66/69/441146669.db2.gz PVOHEJMIVNRLCS-LBPRGKRZSA-N 0 0 335.360 1.673 10 0 EDAERN O=S(=O)(NCC(F)(F)F)c1ccc2c(c1)CN[C@H](CF)C2 ZINC000013581890 441161283 /nfs/dbraw/zinc/16/12/83/441161283.db2.gz GFLULHGGFBMVRA-JTQLQIEISA-N 0 0 326.315 1.511 10 0 EDAERN Cc1cccc2[nH]cc(CCNC(=O)NC[C@H]3CN(C)CCO3)c21 ZINC000104797329 441210539 /nfs/dbraw/zinc/21/05/39/441210539.db2.gz KPBGLNNREXOGFG-HNNXBMFYSA-N 0 0 330.432 1.649 10 0 EDAERN CCCCOc1ncccc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104797141 441211242 /nfs/dbraw/zinc/21/12/42/441211242.db2.gz DVUSYVZAEGKYGH-HNNXBMFYSA-N 0 0 336.436 1.390 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)C1 ZINC000105281216 441246809 /nfs/dbraw/zinc/24/68/09/441246809.db2.gz PGRSZQGEHNEVFU-HNNXBMFYSA-N 0 0 348.447 1.667 10 0 EDAERN O=C1CCCCCN1CCCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000105786263 441268510 /nfs/dbraw/zinc/26/85/10/441268510.db2.gz YVFNTEJIYVKGMM-OAHLLOKOSA-N 0 0 347.463 1.642 10 0 EDAERN CCC[C@H](C)NC(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801374 441273265 /nfs/dbraw/zinc/27/32/65/441273265.db2.gz DFSQLHLZTGTDNP-HOCLYGCPSA-N 0 0 333.480 1.990 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801371 441273305 /nfs/dbraw/zinc/27/33/05/441273305.db2.gz DFSQLHLZTGTDNP-ZBFHGGJFSA-N 0 0 333.480 1.990 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1ccccc1F ZINC000105798605 441273422 /nfs/dbraw/zinc/27/34/22/441273422.db2.gz PUZFVQLCGBNDCU-UHFFFAOYSA-N 0 0 329.379 1.767 10 0 EDAERN CN(c1cccnn1)C1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000105806759 441275783 /nfs/dbraw/zinc/27/57/83/441275783.db2.gz LEYGSOPGXPJDDI-KRWDZBQOSA-N 0 0 343.406 1.743 10 0 EDAERN COCCN1CCN(CC(=O)Nc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000105831928 441285577 /nfs/dbraw/zinc/28/55/77/441285577.db2.gz VYFNSFHYZQPFJW-CQSZACIVSA-N 0 0 348.447 1.236 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1C ZINC000105835463 441288954 /nfs/dbraw/zinc/28/89/54/441288954.db2.gz ZMXBTKMVYRMVAA-IRXDYDNUSA-N 0 0 327.513 1.922 10 0 EDAERN COc1ccccc1CNC(=O)CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081567349 441290804 /nfs/dbraw/zinc/29/08/04/441290804.db2.gz HOJITKBHUICQDH-ZDUSSCGKSA-N 0 0 336.432 1.973 10 0 EDAERN COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@H](n3cncn3)C2)c1C ZINC000106219453 441329150 /nfs/dbraw/zinc/32/91/50/441329150.db2.gz OKVNUABTVQAUJM-CYBMUJFWSA-N 0 0 345.403 1.529 10 0 EDAERN COC(=O)c1cc(CN2CCCN(Cc3noc(C)n3)CC2)oc1C ZINC000105866584 441297093 /nfs/dbraw/zinc/29/70/93/441297093.db2.gz GLABKJDIDHCSAE-UHFFFAOYSA-N 0 0 348.403 1.774 10 0 EDAERN C[C@@H](C(=O)NC1CCCCC1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868960 441299204 /nfs/dbraw/zinc/29/92/04/441299204.db2.gz GGTOSXNICYWBEU-INIZCTEOSA-N 0 0 347.507 1.765 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc2nc(C)ccc2c1O ZINC000081811968 441316942 /nfs/dbraw/zinc/31/69/42/441316942.db2.gz RQCJXMIUBCGZNL-CYBMUJFWSA-N 0 0 338.371 1.809 10 0 EDAERN Cc1ccccc1CCNC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925973 441317363 /nfs/dbraw/zinc/31/73/63/441317363.db2.gz IFZRZIGDDCPTNA-SJLPKXTDSA-N 0 0 333.476 1.305 10 0 EDAERN C[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 ZINC000064502328 441381828 /nfs/dbraw/zinc/38/18/28/441381828.db2.gz WNVXQKKSIHKYCX-SECBINFHSA-N 0 0 325.376 1.409 10 0 in-vitro EDAERN CCc1ccc([C@H](C)NC(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000083694084 441367419 /nfs/dbraw/zinc/36/74/19/441367419.db2.gz VTBLMMUBCMPQBX-YJBOKZPZSA-N 0 0 349.475 1.645 10 0 EDAERN CCn1ccc(C(=O)Nc2ccc(N3CCN(CC)C3=O)nc2)n1 ZINC000065272297 441413547 /nfs/dbraw/zinc/41/35/47/441413547.db2.gz FTSBJTUYBWGMPZ-UHFFFAOYSA-N 0 0 328.376 1.812 10 0 EDAERN O=C(NCc1cccc(Cl)c1)C1CCN(c2cn[nH]c(=O)c2)CC1 ZINC000065311259 441416240 /nfs/dbraw/zinc/41/62/40/441416240.db2.gz IUBWJWQFFKFVPY-UHFFFAOYSA-N 0 0 346.818 1.956 10 0 EDAERN C[C@H](NC(=O)CCc1cccnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000027326033 441399350 /nfs/dbraw/zinc/39/93/50/441399350.db2.gz MNVSGHJOQBYCMC-LBPRGKRZSA-N 0 0 333.413 1.539 10 0 EDAERN CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)o1 ZINC000107140891 441400975 /nfs/dbraw/zinc/40/09/75/441400975.db2.gz CLGRUYXYSGFBMF-JKSUJKDBSA-N 0 0 347.463 1.562 10 0 EDAERN CCN1CCN(Cc2ccc(C(=O)NCCC(C)C)cc2)C(=O)C1=O ZINC000065130537 441404564 /nfs/dbraw/zinc/40/45/64/441404564.db2.gz UHQWKECQWSZELX-UHFFFAOYSA-N 0 0 345.443 1.653 10 0 EDAERN Cc1cnn(C[C@H]2CN(c3ncc(C(N)=O)cc3Cl)CCO2)c1 ZINC000108950422 441482787 /nfs/dbraw/zinc/48/27/87/441482787.db2.gz LPINAJXDMWADOU-GFCCVEGCSA-N 0 0 335.795 1.244 10 0 EDAERN CN(C)C[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CCO1 ZINC000108951770 441483200 /nfs/dbraw/zinc/48/32/00/441483200.db2.gz HZUCERGVHYVENS-LBPRGKRZSA-N 0 0 334.388 1.450 10 0 EDAERN CNC(=O)c1ccc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000109005542 441484754 /nfs/dbraw/zinc/48/47/54/441484754.db2.gz VTPFIFQUMNVKNJ-ZDUSSCGKSA-N 0 0 343.431 1.616 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCn1nc(C)cc1C ZINC000087249521 441485298 /nfs/dbraw/zinc/48/52/98/441485298.db2.gz BBBHPRHHKPJRRU-AWEZNQCLSA-N 0 0 345.451 1.878 10 0 EDAERN O=C(NCCCN1C(=O)CNC1=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109125425 441489440 /nfs/dbraw/zinc/48/94/40/441489440.db2.gz ULMZPCIBTLYRGV-QWRGUYRKSA-N 0 0 337.326 1.126 10 0 EDAERN CN1C(=S)N=NC1CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124572 441489565 /nfs/dbraw/zinc/48/95/65/441489565.db2.gz TYQNKBQNPRRRCK-ZJUUUORDSA-N 0 0 338.383 1.844 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(=O)OC(C)(C)C ZINC000087563468 441493623 /nfs/dbraw/zinc/49/36/23/441493623.db2.gz WEYSFSDMGXEEFO-NSHDSACASA-N 0 0 337.424 1.706 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000087563464 441493852 /nfs/dbraw/zinc/49/38/52/441493852.db2.gz SICHWFXTYAHGAC-UONOGXRCSA-N 0 0 340.383 1.573 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000108442546 441453580 /nfs/dbraw/zinc/45/35/80/441453580.db2.gz POEGRCDCYIVRJB-GFCCVEGCSA-N 0 0 332.404 1.551 10 0 EDAERN COC(=O)N[C@@H](C(=O)NC[C@@H](O)c1ccc(Cl)cc1)C(C)C ZINC000108447532 441453735 /nfs/dbraw/zinc/45/37/35/441453735.db2.gz SHQRVTRLVOCTDU-CHWSQXEVSA-N 0 0 328.796 1.870 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000074773767 441465291 /nfs/dbraw/zinc/46/52/91/441465291.db2.gz RGXWYMIJQJSWAK-AWEZNQCLSA-N 0 0 328.434 1.083 10 0 EDAERN C[C@H](C(=O)N1CCCC1)N1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000088596007 441514128 /nfs/dbraw/zinc/51/41/28/441514128.db2.gz BMPHZQKQDWCXPY-XLIONFOSSA-N 0 0 345.487 1.523 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1I ZINC000110343932 441516920 /nfs/dbraw/zinc/51/69/20/441516920.db2.gz LEUSAQBKKVNVCC-MRVPVSSYSA-N 0 0 344.152 1.674 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000088816927 441524319 /nfs/dbraw/zinc/52/43/19/441524319.db2.gz BWLFAKGFAGHFDN-GFCCVEGCSA-N 0 0 349.341 1.709 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)[C@@H](C)CO1 ZINC000089420862 441549237 /nfs/dbraw/zinc/54/92/37/441549237.db2.gz OKDRRCZJCUNMGJ-SAUZDDAKSA-N 0 0 334.391 1.981 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccccc1 ZINC000088280819 441502492 /nfs/dbraw/zinc/50/24/92/441502492.db2.gz QMTCTGOAVOUUDC-CYBMUJFWSA-N 0 0 327.388 1.222 10 0 EDAERN CNC(=O)c1ccc(Nc2ncc(C(N)=O)c(NC3CCC3)n2)cc1 ZINC000088369318 441506030 /nfs/dbraw/zinc/50/60/30/441506030.db2.gz SFFPIQKRDVRQPY-UHFFFAOYSA-N 0 0 340.387 1.643 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000076098394 441597280 /nfs/dbraw/zinc/59/72/80/441597280.db2.gz CNMQXJMAZYTCAR-DOMZBBRYSA-N 0 0 329.400 1.776 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCCNC(=O)c1ccccc1 ZINC000054814337 441600170 /nfs/dbraw/zinc/60/01/70/441600170.db2.gz QYAMUTXMXXTNIN-OAHLLOKOSA-N 0 0 331.416 1.276 10 0 EDAERN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1CNC(=O)C1 ZINC000113843654 441625770 /nfs/dbraw/zinc/62/57/70/441625770.db2.gz JKMRGXKNCGKUQU-SECBINFHSA-N 0 0 338.289 1.966 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000090988917 441647104 /nfs/dbraw/zinc/64/71/04/441647104.db2.gz OGHBGYSDCIRIPE-UHFFFAOYSA-N 0 0 334.323 1.994 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(C)cc1F)CC2 ZINC000114874171 441694433 /nfs/dbraw/zinc/69/44/33/441694433.db2.gz JKBHXZRJRVZSAN-NSHDSACASA-N 0 0 338.408 1.581 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C)CC2 ZINC000114905077 441695803 /nfs/dbraw/zinc/69/58/03/441695803.db2.gz PKCQRFDBJRRHBC-GFCCVEGCSA-N 0 0 342.403 1.384 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCNC(=O)C(C)C ZINC000114583605 441667764 /nfs/dbraw/zinc/66/77/64/441667764.db2.gz MVCMIZSXAQCCSB-AWEZNQCLSA-N 0 0 335.452 1.656 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)cn2C)ncn1 ZINC000173409365 441740101 /nfs/dbraw/zinc/74/01/01/441740101.db2.gz ZHDLCJPIWSYFOR-LBPRGKRZSA-N 0 0 348.838 1.909 10 0 EDAERN O=C(CCc1nc(C2CCCC2)no1)N[C@@H]1CCc2ncnn2C1 ZINC000137248020 441758411 /nfs/dbraw/zinc/75/84/11/441758411.db2.gz PWDGYDKVCSFJJO-GFCCVEGCSA-N 0 0 330.392 1.383 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000173475761 441763277 /nfs/dbraw/zinc/76/32/77/441763277.db2.gz FUMAPUIYTAYMSC-NWDGAFQWSA-N 0 0 343.474 1.528 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000137313752 441763875 /nfs/dbraw/zinc/76/38/75/441763875.db2.gz OJMLPGIVRRURRS-ZIAGYGMSSA-N 0 0 326.437 1.145 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000042648318 441765472 /nfs/dbraw/zinc/76/54/72/441765472.db2.gz HJIAERZHOFEHPZ-OCCSQVGLSA-N 0 0 334.372 1.182 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H]3c3ccco3)cc2[nH]1 ZINC000116355706 441815970 /nfs/dbraw/zinc/81/59/70/441815970.db2.gz JWORBKSBDHRVBL-ZDUSSCGKSA-N 0 0 333.369 1.975 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2ccccc2O)CC1 ZINC000115713834 441771836 /nfs/dbraw/zinc/77/18/36/441771836.db2.gz NPVKILCEYZKAAI-UHFFFAOYSA-N 0 0 342.443 1.629 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(COC)on2)C[C@@H]1CC ZINC000173519545 441776407 /nfs/dbraw/zinc/77/64/07/441776407.db2.gz BJSFXAXKQPVDJC-ZDUSSCGKSA-N 0 0 325.409 1.394 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(-n4cccn4)cc3)CCO2)[nH]1 ZINC000173536360 441782945 /nfs/dbraw/zinc/78/29/45/441782945.db2.gz BDVHHMIRRNOCPH-OAHLLOKOSA-N 0 0 338.371 1.513 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CCc3cccc(OC)c3)CCO2)[nH]1 ZINC000173558409 441791061 /nfs/dbraw/zinc/79/10/61/441791061.db2.gz NNORDQCNXXKVGR-OAHLLOKOSA-N 0 0 344.415 1.908 10 0 EDAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H]1c1ccco1 ZINC000116046038 441791086 /nfs/dbraw/zinc/79/10/86/441791086.db2.gz IRYIDSBKVKALKX-AWEZNQCLSA-N 0 0 339.351 1.647 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3C)CCO2)[nH]1 ZINC000173569364 441795808 /nfs/dbraw/zinc/79/58/08/441795808.db2.gz KWUOZACQUKIQOV-ZDUSSCGKSA-N 0 0 346.435 1.841 10 0 EDAERN CCOc1cccc(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)c1 ZINC000173581140 441798329 /nfs/dbraw/zinc/79/83/29/441798329.db2.gz JWBCQLBBERKFTR-CQSZACIVSA-N 0 0 330.388 1.980 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)n1 ZINC000121873592 441801217 /nfs/dbraw/zinc/80/12/17/441801217.db2.gz RTFNTJLEBKNBDM-INIZCTEOSA-N 0 0 343.431 1.286 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)OCC(F)(F)F)C2)cn1 ZINC000116230090 441803611 /nfs/dbraw/zinc/80/36/11/441803611.db2.gz DHUBAYSJHWTADS-VIFPVBQESA-N 0 0 334.298 1.025 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)CNc3c(C)cccc3C)CCO2)[nH]1 ZINC000173611066 441804055 /nfs/dbraw/zinc/80/40/55/441804055.db2.gz UPPGUHGSRBWTFZ-AWEZNQCLSA-N 0 0 343.431 1.996 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173949804 441867164 /nfs/dbraw/zinc/86/71/64/441867164.db2.gz MVZDDVOQSNBVSB-DZGCQCFKSA-N 0 0 341.415 1.840 10 0 EDAERN O=C(NCCNC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000173690139 441824338 /nfs/dbraw/zinc/82/43/38/441824338.db2.gz PYJMBEPMUQCMHG-OAHLLOKOSA-N 0 0 342.403 1.055 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 ZINC000116754453 441839672 /nfs/dbraw/zinc/83/96/72/441839672.db2.gz ZUJQLIIXZWOWGM-KRWDZBQOSA-N 0 0 328.416 1.401 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NC[C@@H]3CC=CCC3)CC2)no1 ZINC000174372194 441919358 /nfs/dbraw/zinc/91/93/58/441919358.db2.gz PRNXSPXZWFAHLO-OAHLLOKOSA-N 0 0 333.436 1.952 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124386675 441922588 /nfs/dbraw/zinc/92/25/88/441922588.db2.gz OVGFFHVOMIOFDB-UHFFFAOYSA-N 0 0 341.477 1.731 10 0 EDAERN CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Oc3cccnc3)C2)C1 ZINC000123339501 441884264 /nfs/dbraw/zinc/88/42/64/441884264.db2.gz HYPSZIJMCZKYSB-HOCLYGCPSA-N 0 0 331.416 1.710 10 0 EDAERN Cn1ncc(NCC2(O)CCSCC2)c(Br)c1=O ZINC000077984825 441891490 /nfs/dbraw/zinc/89/14/90/441891490.db2.gz RDFIYMXSUNZKGD-UHFFFAOYSA-N 0 0 334.239 1.213 10 0 EDAERN O=C(CSCc1cccnc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118669635 441900018 /nfs/dbraw/zinc/90/00/18/441900018.db2.gz HRSHQEZNYUXQMO-OAHLLOKOSA-N 0 0 343.456 1.890 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCc2cccc(OCCN3CCOCC3)c2)O1 ZINC000150914352 441973729 /nfs/dbraw/zinc/97/37/29/441973729.db2.gz AOXURMMFNYDNFY-QAPCUYQASA-N 0 0 348.443 1.581 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000150933434 441977599 /nfs/dbraw/zinc/97/75/99/441977599.db2.gz QPKCSGUMECYFBW-KGLIPLIRSA-N 0 0 349.410 1.110 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1nc[nH]n1)C(C)C ZINC000174555054 441937230 /nfs/dbraw/zinc/93/72/30/441937230.db2.gz XWERYJMPOJOLBP-BXUZGUMPSA-N 0 0 345.403 1.445 10 0 EDAERN O=C(c1cnc(NC[C@H]2CCC[C@H]2O)c(Cl)c1)N1CCOCC1 ZINC000078498594 441937546 /nfs/dbraw/zinc/93/75/46/441937546.db2.gz YVSOTVPIFHOVFT-BXUZGUMPSA-N 0 0 339.823 1.780 10 0 EDAERN Cc1nc(SCC(=O)N2CCCN(c3ccc(C)nn3)CC2)n[nH]1 ZINC000174649149 441949229 /nfs/dbraw/zinc/94/92/29/441949229.db2.gz CUDGCDGTIMZXLF-UHFFFAOYSA-N 0 0 347.448 1.043 10 0 EDAERN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](C)COC)c1 ZINC000125212237 441998432 /nfs/dbraw/zinc/99/84/32/441998432.db2.gz CLZVMEJWCQGWGS-NWDGAFQWSA-N 0 0 328.434 1.984 10 0 EDAERN CCCN(CC(=O)Nc1ccccc1C)C[C@@H](O)CN1CCCC1=O ZINC000175078053 442001548 /nfs/dbraw/zinc/00/15/48/442001548.db2.gz YUWGDCOWDZGPCO-MRXNPFEDSA-N 0 0 347.459 1.629 10 0 EDAERN Cc1cccc(O[C@H](C)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000175113494 442005608 /nfs/dbraw/zinc/00/56/08/442005608.db2.gz RHLKCPOYSDXJDF-ZIAGYGMSSA-N 0 0 329.404 1.668 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cn(C)c(=O)cc2C)C[C@H]1C ZINC000161836739 442036359 /nfs/dbraw/zinc/03/63/59/442036359.db2.gz OBKXDJQWYVPSCS-CQSZACIVSA-N 0 0 336.436 1.268 10 0 EDAERN C[C@H]1CN(C(=O)NCCCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000175613219 442094022 /nfs/dbraw/zinc/09/40/22/442094022.db2.gz VDIOQVKAFNHMMO-FUHWJXTLSA-N 0 0 331.460 1.981 10 0 EDAERN CO[C@@H](CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000175351774 442047148 /nfs/dbraw/zinc/04/71/48/442047148.db2.gz RULFFNKVLGTZHM-GJZGRUSLSA-N 0 0 345.403 1.584 10 0 EDAERN C[C@@H](CS(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000151379927 442052142 /nfs/dbraw/zinc/05/21/42/442052142.db2.gz DXBNEWGABIBZSX-WMLDXEAASA-N 0 0 338.473 1.573 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000162224062 442075778 /nfs/dbraw/zinc/07/57/78/442075778.db2.gz MKUVZHAUSWZRFR-OLZOCXBDSA-N 0 0 325.430 1.955 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC(C)(C)c2ccc(F)c(F)c2)C1 ZINC000175506245 442076699 /nfs/dbraw/zinc/07/66/99/442076699.db2.gz IFGAOCGAOYKBPT-GFCCVEGCSA-N 0 0 327.375 1.830 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2)C1 ZINC000162282325 442079719 /nfs/dbraw/zinc/07/97/19/442079719.db2.gz SGGNKNVKIWBBKV-CQSZACIVSA-N 0 0 332.404 1.236 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCc3nccn3CC(C)C)CCO2)[nH]1 ZINC000175578854 442088927 /nfs/dbraw/zinc/08/89/27/442088927.db2.gz PZSXNIYWTPQPBP-CYBMUJFWSA-N 0 0 347.423 1.249 10 0 EDAERN COCC(=O)NC[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 ZINC000096269326 442109880 /nfs/dbraw/zinc/10/98/80/442109880.db2.gz LTPVJEGZFRNACA-ZDUSSCGKSA-N 0 0 335.791 1.865 10 0 EDAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCC[C@@H]3O)C2)cn1 ZINC000175717012 442111054 /nfs/dbraw/zinc/11/10/54/442111054.db2.gz PWTDDRNTXGYHGD-DZKIICNBSA-N 0 0 335.452 1.239 10 0 EDAERN C[C@H](Sc1nncn1C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126448275 442112385 /nfs/dbraw/zinc/11/23/85/442112385.db2.gz FWOPIAQWGCGHPX-LBPRGKRZSA-N 0 0 334.449 1.431 10 0 EDAERN COc1cc(C(=O)N[C@@H](C)c2cccs2)sc1S(N)(=O)=O ZINC000175773608 442119498 /nfs/dbraw/zinc/11/94/98/442119498.db2.gz IVWOEHBEILWWQE-ZETCQYMHSA-N 0 0 346.455 1.957 10 0 EDAERN CCO[C@@H](C)c1noc(CN2CCO[C@H](Cn3cc(C)cn3)C2)n1 ZINC000120729595 442123480 /nfs/dbraw/zinc/12/34/80/442123480.db2.gz JJLKBNNBDCADHQ-KBPBESRZSA-N 0 0 335.408 1.573 10 0 EDAERN CCOc1ccc(C(=O)NCC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175823744 442130046 /nfs/dbraw/zinc/13/00/46/442130046.db2.gz IDVNELFZNDDNAW-AWEZNQCLSA-N 0 0 343.387 1.058 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000175878059 442139247 /nfs/dbraw/zinc/13/92/47/442139247.db2.gz VNXNJESNYQVVGB-ZIAGYGMSSA-N 0 0 333.367 1.593 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)O1 ZINC000151981244 442150037 /nfs/dbraw/zinc/15/00/37/442150037.db2.gz IGJIQMOGRBIXPP-FZMZJTMJSA-N 0 0 338.354 1.817 10 0 EDAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@H]1CO ZINC000120902805 442150315 /nfs/dbraw/zinc/15/03/15/442150315.db2.gz IHMZLDQHXCRMHG-VIFPVBQESA-N 0 0 345.168 1.510 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@H]1CSCCS1)CC2 ZINC000151667350 442103482 /nfs/dbraw/zinc/10/34/82/442103482.db2.gz BXLQUGANHMQJMO-MNOVXSKESA-N 0 0 326.491 1.510 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000176064997 442169796 /nfs/dbraw/zinc/16/97/96/442169796.db2.gz GNIBBVTZSNHFMA-LBPRGKRZSA-N 0 0 346.362 1.520 10 0 EDAERN CC(C)Oc1cccnc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000176072226 442171020 /nfs/dbraw/zinc/17/10/20/442171020.db2.gz KYLBYFQTBZMAEK-GJZGRUSLSA-N 0 0 333.432 1.662 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1c(F)cc(F)cc1F ZINC000163583589 442174866 /nfs/dbraw/zinc/17/48/66/442174866.db2.gz AIOCRRLUWNNLJE-NSHDSACASA-N 0 0 344.289 1.597 10 0 EDAERN CCCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176096481 442175493 /nfs/dbraw/zinc/17/54/93/442175493.db2.gz NKFKTMCBTGFNBR-ZDUSSCGKSA-N 0 0 343.387 1.657 10 0 EDAERN C[C@@H](NC(=O)N1CCC(Cn2cccn2)CC1)[C@@H](C)N1CCOCC1 ZINC000127185241 442179501 /nfs/dbraw/zinc/17/95/01/442179501.db2.gz WQBVOPWROWBPAC-HZPDHXFCSA-N 0 0 349.479 1.414 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000121148321 442183744 /nfs/dbraw/zinc/18/37/44/442183744.db2.gz CFJQNHYCAKLWQW-KXBFYZLASA-N 0 0 346.427 1.708 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)N[C@H](C)CCO)N2CCOCC2)s1 ZINC000121158101 442184446 /nfs/dbraw/zinc/18/44/46/442184446.db2.gz QQBXXJUWULNTFP-TZMCWYRMSA-N 0 0 341.477 1.500 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000127256628 442186485 /nfs/dbraw/zinc/18/64/85/442186485.db2.gz MBFFBESKJXNMFV-INIZCTEOSA-N 0 0 338.371 1.005 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)CC2 ZINC000127473550 442205519 /nfs/dbraw/zinc/20/55/19/442205519.db2.gz OWHBLZUXNWRPLG-AWEZNQCLSA-N 0 0 342.447 1.827 10 0 EDAERN O=C(NCCNC(=O)c1cccs1)N[C@H]1CCCC[C@@H]1CO ZINC000175954233 442152803 /nfs/dbraw/zinc/15/28/03/442152803.db2.gz HTRQXTNHLGBLFT-NEPJUHHUSA-N 0 0 325.434 1.328 10 0 EDAERN O=S(=O)(CC1CCOCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097015767 442155241 /nfs/dbraw/zinc/15/52/41/442155241.db2.gz BMSMCVOBYULSSN-OAHLLOKOSA-N 0 0 326.418 1.291 10 0 EDAERN C[C@@H](CNC(=O)c1ccnc(OCC(F)F)c1)N1CCOCC1 ZINC000152075729 442161814 /nfs/dbraw/zinc/16/18/14/442161814.db2.gz QRNKGROIMYRSQM-NSHDSACASA-N 0 0 329.347 1.176 10 0 EDAERN O=C(Nc1cccc(Cl)c1-n1cccn1)C(=O)N1CCC[C@H]1CO ZINC000121009395 442165069 /nfs/dbraw/zinc/16/50/69/442165069.db2.gz HZNGMCKKWZNMKB-NSHDSACASA-N 0 0 348.790 1.448 10 0 EDAERN C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@@H]1N1CCOCC1 ZINC000128162858 442249463 /nfs/dbraw/zinc/24/94/63/442249463.db2.gz CSVFVYSIXMLJLZ-PWSUYJOCSA-N 0 0 344.337 1.288 10 0 EDAERN C[C@@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)CC1(C)OCCO1 ZINC000152933242 442251973 /nfs/dbraw/zinc/25/19/73/442251973.db2.gz IQJVDDUTKYVWIL-KGLIPLIRSA-N 0 0 337.424 1.414 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1F ZINC000176744509 442252460 /nfs/dbraw/zinc/25/24/60/442252460.db2.gz XITZMTIMEBAECN-LLVKDONJSA-N 0 0 326.353 1.239 10 0 EDAERN COc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1OC ZINC000121373902 442209630 /nfs/dbraw/zinc/20/96/30/442209630.db2.gz MKLUDNXJVNMSSF-ZBFHGGJFSA-N 0 0 348.443 1.805 10 0 EDAERN CC(=O)NC1(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCCCC1 ZINC000127605013 442215191 /nfs/dbraw/zinc/21/51/91/442215191.db2.gz PSNJNLCKEQFGGZ-HNNXBMFYSA-N 0 0 333.436 1.356 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCOCc1ccccc1)CC2 ZINC000176368169 442215290 /nfs/dbraw/zinc/21/52/90/442215290.db2.gz FTOYWYUTEKKAGH-HNNXBMFYSA-N 0 0 343.431 1.671 10 0 EDAERN CC(C)C[C@@H](C)N(C)C(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000176392275 442217964 /nfs/dbraw/zinc/21/79/64/442217964.db2.gz PDSFGSQMGXKAKC-GFCCVEGCSA-N 0 0 345.469 1.062 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)O1 ZINC000152492221 442219238 /nfs/dbraw/zinc/21/92/38/442219238.db2.gz GHLUKKKAPGDILR-KYOSRNDESA-N 0 0 328.372 1.773 10 0 EDAERN O=C(CN1CSCC1=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176458564 442224462 /nfs/dbraw/zinc/22/44/62/442224462.db2.gz VOLVHEINHSOJFZ-LBPRGKRZSA-N 0 0 349.460 1.201 10 0 EDAERN C[S@@](=O)c1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000127806499 442226559 /nfs/dbraw/zinc/22/65/59/442226559.db2.gz PSLWEKBOQPHRPK-ZLOXQWCVSA-N 0 0 332.429 1.568 10 0 EDAERN CN(C(=O)Cc1cccc(O)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000127817698 442227390 /nfs/dbraw/zinc/22/73/90/442227390.db2.gz QOYXGHPMJXYEFV-HNNXBMFYSA-N 0 0 326.400 1.852 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCOc1ccc(C=O)cc1 ZINC000176540377 442231902 /nfs/dbraw/zinc/23/19/02/442231902.db2.gz ISBBFLCSQSVNPD-OAHLLOKOSA-N 0 0 328.372 1.819 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)[C@H]2CCCOC2)N2CCOCC2)s1 ZINC000176568025 442235726 /nfs/dbraw/zinc/23/57/26/442235726.db2.gz BSTHAPHCWKYNSD-LSDHHAIUSA-N 0 0 338.473 1.973 10 0 EDAERN Cc1cccc(OC[C@@H](O)CNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176604377 442239381 /nfs/dbraw/zinc/23/93/81/442239381.db2.gz SUAAWOXKNOYYSU-ZFWWWQNUSA-N 0 0 345.403 1.161 10 0 EDAERN CCCc1cc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n2ncnc2n1 ZINC000176703193 442247980 /nfs/dbraw/zinc/24/79/80/442247980.db2.gz OYBXIYXCFPTTFX-DZGCQCFKSA-N 0 0 330.436 1.234 10 0 EDAERN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000176823960 442261271 /nfs/dbraw/zinc/26/12/71/442261271.db2.gz LJIOUEXAWGQVDR-NEPJUHHUSA-N 0 0 337.424 1.212 10 0 EDAERN CC(C)c1nnc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)n1C ZINC000170778117 442262081 /nfs/dbraw/zinc/26/20/81/442262081.db2.gz INHMQHJUMYPRKU-CQSZACIVSA-N 0 0 335.452 1.152 10 0 EDAERN COc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ncnn4C3)[nH]n2)cc1 ZINC000128434403 442266458 /nfs/dbraw/zinc/26/64/58/442266458.db2.gz AGUIMEYANYZEEH-GFCCVEGCSA-N 0 0 338.371 1.422 10 0 EDAERN CC[C@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)[C@@H]1CCCO1 ZINC000128448401 442266756 /nfs/dbraw/zinc/26/67/56/442266756.db2.gz XXNMOKYDAWVQBL-IRXDYDNUSA-N 0 0 349.479 1.595 10 0 EDAERN COCCCNC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176926190 442274141 /nfs/dbraw/zinc/27/41/41/442274141.db2.gz YMFAXNONOCQSSI-AWEZNQCLSA-N 0 0 341.477 1.766 10 0 EDAERN CCS(=O)(=O)CCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000128630719 442278767 /nfs/dbraw/zinc/27/87/67/442278767.db2.gz CFFQVKIURKOOFJ-UONOGXRCSA-N 0 0 326.462 1.619 10 0 EDAERN O=C(NC[C@@H]1CCCS1(=O)=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000153411905 442281446 /nfs/dbraw/zinc/28/14/46/442281446.db2.gz NSEQYAGTXXEJIP-TUAOUCFPSA-N 0 0 329.368 1.762 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176993709 442281597 /nfs/dbraw/zinc/28/15/97/442281597.db2.gz KDKLLNOQMOLPHE-WFASDCNBSA-N 0 0 344.864 1.681 10 0 EDAERN CCNc1ncc(C(=O)N2CCCN(c3cccnn3)CC2)s1 ZINC000128704007 442282929 /nfs/dbraw/zinc/28/29/29/442282929.db2.gz MWJKOZLTHONCOJ-UHFFFAOYSA-N 0 0 332.433 1.717 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000177001610 442283455 /nfs/dbraw/zinc/28/34/55/442283455.db2.gz DLEZHIVRCJECKL-CQSZACIVSA-N 0 0 349.416 1.358 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@H](n3cncn3)C1)C2 ZINC000170898323 442285574 /nfs/dbraw/zinc/28/55/74/442285574.db2.gz CGOWREGDMMOPLU-CABCVRRESA-N 0 0 342.399 1.702 10 0 EDAERN CC(C)COc1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000129078816 442300957 /nfs/dbraw/zinc/30/09/57/442300957.db2.gz OLIFLVZIRLAJBU-MRXNPFEDSA-N 0 0 336.432 1.144 10 0 EDAERN COc1c(CNC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c(C)nn1C ZINC000153782815 442302571 /nfs/dbraw/zinc/30/25/71/442302571.db2.gz USEXPZPDBBSVAF-CQSZACIVSA-N 0 0 346.435 1.789 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCOc1ccc(Cl)cn1 ZINC000128304592 442258634 /nfs/dbraw/zinc/25/86/34/442258634.db2.gz AJDUXCZRBAYLCE-SNVBAGLBSA-N 0 0 337.763 1.642 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Cl)cc1Cl ZINC000154147387 442323949 /nfs/dbraw/zinc/32/39/49/442323949.db2.gz HMLFQSJERRHEMK-LLVKDONJSA-N 0 0 333.215 1.416 10 0 EDAERN Cc1ccc(C(=O)NCCNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177320443 442328576 /nfs/dbraw/zinc/32/85/76/442328576.db2.gz QKBXGDSRYCDHJH-AWEZNQCLSA-N 0 0 342.403 1.151 10 0 EDAERN COCCCOc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000177330004 442328821 /nfs/dbraw/zinc/32/88/21/442328821.db2.gz RFVYYXWVQFHFNU-QGZVFWFLSA-N 0 0 348.443 1.649 10 0 EDAERN CC(C)(C)N1C[C@H](NC(=O)N2CC[C@H](Oc3ccncc3)C2)CC1=O ZINC000154334468 442333400 /nfs/dbraw/zinc/33/34/00/442333400.db2.gz FCBNFIVKCZIDGS-HIFRSBDPSA-N 0 0 346.431 1.644 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)C(=O)Nc1ccccc1 ZINC000177370716 442333398 /nfs/dbraw/zinc/33/33/98/442333398.db2.gz OIRKSXBEEWLBEN-WCQYABFASA-N 0 0 328.376 1.439 10 0 EDAERN NC(=O)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177406546 442337452 /nfs/dbraw/zinc/33/74/52/442337452.db2.gz SNUVPKPZETXOCD-OAHLLOKOSA-N 0 0 327.388 1.356 10 0 EDAERN O=C(CSC[C@H](O)CO)N[C@@H](c1nccs1)c1ccccc1 ZINC000177437024 442341014 /nfs/dbraw/zinc/34/10/14/442341014.db2.gz OHTZNBGLIUZHQH-TZMCWYRMSA-N 0 0 338.454 1.435 10 0 EDAERN O=C1[C@@H](SC[C@H](O)CO)CCN1c1ccc(C(F)(F)F)cc1 ZINC000177449388 442342860 /nfs/dbraw/zinc/34/28/60/442342860.db2.gz USFGVACTEQYQPL-NEPJUHHUSA-N 0 0 335.347 1.897 10 0 EDAERN O=C1[C@@H](SC[C@@H](O)CO)CCN1c1ccc(C(F)(F)F)cc1 ZINC000177449416 442343290 /nfs/dbraw/zinc/34/32/90/442343290.db2.gz USFGVACTEQYQPL-RYUDHWBXSA-N 0 0 335.347 1.897 10 0 EDAERN COC[C@@H](C)C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000177517136 442352034 /nfs/dbraw/zinc/35/20/34/442352034.db2.gz FJTADUBGNIUKJP-TZMCWYRMSA-N 0 0 343.420 1.624 10 0 EDAERN C[C@@H]1CN(C(=O)NCCc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000177229561 442316254 /nfs/dbraw/zinc/31/62/54/442316254.db2.gz MFYQGBOTDVCDBN-PBHICJAKSA-N 0 0 335.423 1.730 10 0 EDAERN Cc1cc(C)cc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177235975 442317996 /nfs/dbraw/zinc/31/79/96/442317996.db2.gz JAPBWVWDFHGASS-SJLPKXTDSA-N 0 0 331.460 1.894 10 0 EDAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[C@H](CNc2ccccn2)C1 ZINC000171644129 442366541 /nfs/dbraw/zinc/36/65/41/442366541.db2.gz UFONXYPEVLIJRI-CHWSQXEVSA-N 0 0 342.451 1.410 10 0 EDAERN COc1ncccc1NC(=O)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000177669104 442368130 /nfs/dbraw/zinc/36/81/30/442368130.db2.gz MNGSELLWESDEQG-ZDUSSCGKSA-N 0 0 343.387 1.397 10 0 EDAERN CC(=O)N[C@@H](CC(=O)N[C@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000177705578 442373190 /nfs/dbraw/zinc/37/31/90/442373190.db2.gz XFPOSPPREPJVPY-HOTGVXAUSA-N 0 0 341.415 1.805 10 0 EDAERN COCCN1CCN(C(=O)CSCc2cscn2)C[C@@H]1C ZINC000131649808 442377070 /nfs/dbraw/zinc/37/70/70/442377070.db2.gz MJGFLXYFTNZIID-LBPRGKRZSA-N 0 0 329.491 1.555 10 0 EDAERN CCc1noc(CC)c1CNC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000132982241 442404261 /nfs/dbraw/zinc/40/42/61/442404261.db2.gz IUOQLBYLZGBLOG-ZDUSSCGKSA-N 0 0 338.452 1.662 10 0 EDAERN O=C(CC1CCCCC1)NCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177773848 442382816 /nfs/dbraw/zinc/38/28/16/442382816.db2.gz IJMMFEUXLODCDU-MRXNPFEDSA-N 0 0 332.448 1.961 10 0 EDAERN C[C@@H](NC(=O)NCCCNC(=O)c1cccs1)[C@H]1CCCO1 ZINC000132000422 442385214 /nfs/dbraw/zinc/38/52/14/442385214.db2.gz FAZHEJXHANMCFW-VXGBXAGGSA-N 0 0 325.434 1.735 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1cc2c(cc1F)NC(=O)CC2 ZINC000132069045 442386354 /nfs/dbraw/zinc/38/63/54/442386354.db2.gz JTLMPKDOMHFKRI-LBPRGKRZSA-N 0 0 329.335 1.567 10 0 EDAERN CSC[C@H](CCO)NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155360261 442390669 /nfs/dbraw/zinc/39/06/69/442390669.db2.gz NAZHSKCGWGUXDW-NEPJUHHUSA-N 0 0 341.481 1.130 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000155440578 442398693 /nfs/dbraw/zinc/39/86/93/442398693.db2.gz JBMKNNAVDWLHQN-GFCCVEGCSA-N 0 0 346.435 1.949 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn(C(C)(C)C)c1C ZINC000155440145 442398861 /nfs/dbraw/zinc/39/88/61/442398861.db2.gz LGLJCVFWBFQTIM-CYBMUJFWSA-N 0 0 346.435 1.949 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cc3ccccc3oc2=O)n1 ZINC000155451822 442399120 /nfs/dbraw/zinc/39/91/20/442399120.db2.gz GAQIWAXAGOMBBO-CYBMUJFWSA-N 0 0 341.323 1.698 10 0 EDAERN O=C(CNC(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCCC[C@@H]1O ZINC000177550835 442356535 /nfs/dbraw/zinc/35/65/35/442356535.db2.gz DCSVFSANYNVADC-FZMZJTMJSA-N 0 0 326.343 1.362 10 0 EDAERN O=C(CSc1nnnn1C1CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000177581082 442359660 /nfs/dbraw/zinc/35/96/60/442359660.db2.gz WVUDLDTTZQRCTR-LLVKDONJSA-N 0 0 348.436 1.123 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)C[C@H]3CCCCO3)CCCC2)no1 ZINC000177607936 442362628 /nfs/dbraw/zinc/36/26/28/442362628.db2.gz BWTJLFDYQDRQNF-GFCCVEGCSA-N 0 0 343.449 1.890 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)c2)CCN1C[C@@H](C)O ZINC000177614503 442363197 /nfs/dbraw/zinc/36/31/97/442363197.db2.gz ZWDLQQYXSBDSQM-WBVHZDCISA-N 0 0 347.459 1.546 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000172128939 442412221 /nfs/dbraw/zinc/41/22/21/442412221.db2.gz BVXUQXSRRSYVNG-MRXNPFEDSA-N 0 0 340.427 1.978 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000155640996 442415356 /nfs/dbraw/zinc/41/53/56/442415356.db2.gz IHOMOWYDAMPUQQ-ZDUSSCGKSA-N 0 0 337.387 1.891 10 0 EDAERN CCc1ccccc1OCC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000155530872 442405610 /nfs/dbraw/zinc/40/56/10/442405610.db2.gz NJMFTZBSAUTEKA-AWEZNQCLSA-N 0 0 331.372 1.919 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-n3ccnc3)cc1)CC2 ZINC000172255084 442431091 /nfs/dbraw/zinc/43/10/91/442431091.db2.gz GFAHDOBBPKRRCH-AWEZNQCLSA-N 0 0 336.399 1.771 10 0 EDAERN COc1ccnc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000172280108 442434417 /nfs/dbraw/zinc/43/44/17/442434417.db2.gz JJZBYAODCFRHSH-ZDUSSCGKSA-N 0 0 332.381 1.739 10 0 EDAERN CNC(=O)[C@H](NC(=O)N(C)Cc1cnn(-c2ccccc2)c1)C(C)C ZINC000178446190 442434757 /nfs/dbraw/zinc/43/47/57/442434757.db2.gz QBVNDGABXZZOKT-MRXNPFEDSA-N 0 0 343.431 1.784 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@H](C)CN1CCOCC1)C(C)C ZINC000133948505 442441989 /nfs/dbraw/zinc/44/19/89/442441989.db2.gz MKNWISBEKISTOE-RDJZCZTQSA-N 0 0 341.496 1.258 10 0 EDAERN O=C(NCC1CCC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000172327288 442444387 /nfs/dbraw/zinc/44/43/87/442444387.db2.gz RRSIWVOOFDVEOB-QGZVFWFLSA-N 0 0 347.459 1.554 10 0 EDAERN COC[C@H](O)CCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000134000072 442445241 /nfs/dbraw/zinc/44/52/41/442445241.db2.gz PFDWNFLBJWQMGY-XJKSGUPXSA-N 0 0 332.404 1.630 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1c[nH]nc1-c1c(F)cccc1F)C(C)C ZINC000178584109 442445884 /nfs/dbraw/zinc/44/58/84/442445884.db2.gz SLTLZLKWXXFFKW-CYBMUJFWSA-N 0 0 336.342 1.855 10 0 EDAERN CN1CCCc2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3CO)cc21 ZINC000134063810 442448893 /nfs/dbraw/zinc/44/88/93/442448893.db2.gz JXUIKXLOKZZPAK-ZBFHGGJFSA-N 0 0 338.473 1.898 10 0 EDAERN OC[C@H]1CCCN1c1cc(N2CCC(Cn3cccn3)CC2)ncn1 ZINC000172371405 442451122 /nfs/dbraw/zinc/45/11/22/442451122.db2.gz KGKWOAORLJIHBE-MRXNPFEDSA-N 0 0 342.447 1.551 10 0 EDAERN O=C(CN1CCCCCCC1=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000172400404 442455054 /nfs/dbraw/zinc/45/50/54/442455054.db2.gz XDNGXFUJCXYZAS-HNNXBMFYSA-N 0 0 333.436 1.309 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000186246579 442494958 /nfs/dbraw/zinc/49/49/58/442494958.db2.gz GFEFMJKIPWKECW-LLVKDONJSA-N 0 0 325.409 1.759 10 0 EDAERN Cc1c(Cl)cccc1OCC(=O)NC[C@H](C)N1CCOCC1 ZINC000134584007 442497591 /nfs/dbraw/zinc/49/75/91/442497591.db2.gz TUPCPPNMTHYVJJ-LBPRGKRZSA-N 0 0 326.824 1.864 10 0 EDAERN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178837911 442499219 /nfs/dbraw/zinc/49/92/19/442499219.db2.gz TVWDGXRHOGXSBU-NVXWUHKLSA-N 0 0 347.459 1.401 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)cn1 ZINC000172604758 442501480 /nfs/dbraw/zinc/50/14/80/442501480.db2.gz WMGQOMXNWKLNCI-HNNXBMFYSA-N 0 0 327.450 1.591 10 0 EDAERN CCOC(=O)c1ccc(CN2CCCN(Cc3noc(C)n3)CC2)o1 ZINC000156633364 442504278 /nfs/dbraw/zinc/50/42/78/442504278.db2.gz DQIUYLBDRQVYAR-UHFFFAOYSA-N 0 0 348.403 1.856 10 0 EDAERN Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000179809022 442505698 /nfs/dbraw/zinc/50/56/98/442505698.db2.gz AGYMEVORBQTFGQ-HNNXBMFYSA-N 0 0 344.463 1.288 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(OC)ccc1Br)C(C)C ZINC000178861165 442506096 /nfs/dbraw/zinc/50/60/96/442506096.db2.gz HOOYIXNICDNZJI-GFCCVEGCSA-N 0 0 343.221 1.958 10 0 EDAERN O=C(Cc1nc2ncccn2n1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179454855 442460029 /nfs/dbraw/zinc/46/00/29/442460029.db2.gz MSWSFFAUNORBMX-CQSZACIVSA-N 0 0 325.347 2.000 10 0 EDAERN Cc1cc(C)n([C@H](C)C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000172434128 442460207 /nfs/dbraw/zinc/46/02/07/442460207.db2.gz WPINENNQPDBPDN-HZPDHXFCSA-N 0 0 342.447 1.978 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC000191580400 442469545 /nfs/dbraw/zinc/46/95/45/442469545.db2.gz OQJNGXKFIGSEPK-GFCCVEGCSA-N 0 0 337.424 1.073 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000172627675 442509363 /nfs/dbraw/zinc/50/93/63/442509363.db2.gz ZXPGHTHLSUHXSX-UHFFFAOYSA-N 0 0 329.408 1.268 10 0 EDAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000179634124 442482621 /nfs/dbraw/zinc/48/26/21/442482621.db2.gz LLQQJDTXDSHOAU-NVXWUHKLSA-N 0 0 349.406 1.750 10 0 EDAERN COc1ccc(SCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172754482 442534623 /nfs/dbraw/zinc/53/46/23/442534623.db2.gz OUVCVYVFHNDPEW-CQSZACIVSA-N 0 0 336.457 1.720 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CC[C@H](N3CCOCC3)C2)cc1OC ZINC000172755038 442535201 /nfs/dbraw/zinc/53/52/01/442535201.db2.gz JOQPDWPPFFAQCU-NBUZRDOWSA-N 0 0 346.427 1.650 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)C3=C(C)OCCC3)C2=O)n(C)n1 ZINC000178973879 442542366 /nfs/dbraw/zinc/54/23/66/442542366.db2.gz TZTIGAXBNMDJIF-CQSZACIVSA-N 0 0 332.404 1.425 10 0 EDAERN COC(=O)C1CCC(C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000180141194 442547109 /nfs/dbraw/zinc/54/71/09/442547109.db2.gz SFNMPIUJOYNTSF-UHFFFAOYSA-N 0 0 332.400 1.424 10 0 EDAERN Cc1cccc(C)c1OC[C@@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186521887 442551663 /nfs/dbraw/zinc/55/16/63/442551663.db2.gz YBDSWYISFROQMV-CQSZACIVSA-N 0 0 345.443 1.991 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2cccc(F)c2)n1 ZINC000186348857 442516834 /nfs/dbraw/zinc/51/68/34/442516834.db2.gz CZXHXNZWLXNDNZ-CYBMUJFWSA-N 0 0 341.364 1.420 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc3c(c2)N(C)CC3)C[C@@H]1C ZINC000180201805 442558013 /nfs/dbraw/zinc/55/80/13/442558013.db2.gz VLCSQCKNESJWBX-AWEZNQCLSA-N 0 0 332.448 1.863 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)C(C)C)[C@H](C)O)cc1 ZINC000191887667 442532529 /nfs/dbraw/zinc/53/25/29/442532529.db2.gz LADFUEVIUUVWHB-YDHLFZDLSA-N 0 0 342.461 1.183 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000172959880 442573717 /nfs/dbraw/zinc/57/37/17/442573717.db2.gz YXJRTVCZRRKYHN-UKRRQHHQSA-N 0 0 325.430 1.533 10 0 EDAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C1 ZINC000186615278 442573811 /nfs/dbraw/zinc/57/38/11/442573811.db2.gz VIEVTAYHUUCECV-LLVKDONJSA-N 0 0 339.392 1.596 10 0 EDAERN Cc1ccn2ncc(C(=O)N[C@H]3CCCN(c4cccnn4)C3)c2n1 ZINC000135303214 442578303 /nfs/dbraw/zinc/57/83/03/442578303.db2.gz RMYIBALZYUOYPY-ZDUSSCGKSA-N 0 0 337.387 1.227 10 0 EDAERN CO[C@](C)(C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1F ZINC000192098469 442591156 /nfs/dbraw/zinc/59/11/56/442591156.db2.gz CHWZQPSIJIZLRI-KDOFPFPSSA-N 0 0 347.390 1.811 10 0 EDAERN CO[C@](C)(C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1F ZINC000192136962 442600697 /nfs/dbraw/zinc/60/06/97/442600697.db2.gz PGKJEQCEGZZJHL-KDOFPFPSSA-N 0 0 336.407 1.620 10 0 EDAERN Cc1ccc(F)cc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180249647 442566232 /nfs/dbraw/zinc/56/62/32/442566232.db2.gz MYFNDJVWVFPTGN-BBRMVZONSA-N 0 0 349.406 1.252 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C)C(C)C ZINC000179078923 442567322 /nfs/dbraw/zinc/56/73/22/442567322.db2.gz CTONJJYXEPCZJH-GFCCVEGCSA-N 0 0 325.796 1.474 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCCOC(C)C)CCO2)[nH]1 ZINC000136262676 442658059 /nfs/dbraw/zinc/65/80/59/442658059.db2.gz GUWGODVHNKMVJH-LBPRGKRZSA-N 0 0 325.413 1.265 10 0 EDAERN O=C(Nc1cnns1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000192368237 442640793 /nfs/dbraw/zinc/64/07/93/442640793.db2.gz DJNONKIQGJNBBF-ZDUSSCGKSA-N 0 0 333.417 1.421 10 0 EDAERN C[C@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1nnc2n1CCCC2 ZINC000136304571 442658519 /nfs/dbraw/zinc/65/85/19/442658519.db2.gz XHLGLXLOEODWGY-QWHCGFSZSA-N 0 0 346.435 1.871 10 0 EDAERN Cc1c([C@H](C)NC[C@H]2CN(C)CCO2)nnn1-c1ccc(F)cc1 ZINC000180491981 442610899 /nfs/dbraw/zinc/61/08/99/442610899.db2.gz KTSFUNIYGBIABX-LRDDRELGSA-N 0 0 333.411 1.696 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCCN(c3nc(C)ns3)CC2)c1 ZINC000173202520 442622965 /nfs/dbraw/zinc/62/29/65/442622965.db2.gz MACOFBUGGLZLQN-UHFFFAOYSA-N 0 0 349.464 1.273 10 0 EDAERN COC(=O)Cn1cc(CCN2CCCC[C@@H]2c2nccs2)nn1 ZINC000157955567 442631521 /nfs/dbraw/zinc/63/15/21/442631521.db2.gz FCILHJZLLQSYMA-CYBMUJFWSA-N 0 0 335.433 1.677 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1C ZINC000180610578 442633145 /nfs/dbraw/zinc/63/31/45/442633145.db2.gz SQXQXHIXGMWELY-MRXNPFEDSA-N 0 0 341.415 1.951 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1ccc2ncsc2c1)N1CCOCC1 ZINC000193038569 442707608 /nfs/dbraw/zinc/70/76/08/442707608.db2.gz QBVRNGZSERZMGA-NSHDSACASA-N 0 0 348.428 1.072 10 0 EDAERN CN(Cc1cnccn1)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188057546 442706016 /nfs/dbraw/zinc/70/60/16/442706016.db2.gz CXPFXPMFJVHQPO-WCQYABFASA-N 0 0 338.383 1.783 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@]13CCOC3=O)CC2 ZINC000187192859 442659721 /nfs/dbraw/zinc/65/97/21/442659721.db2.gz ZEQXVKZPHPESHT-SJKOYZFVSA-N 0 0 347.419 1.207 10 0 EDAERN OC[C@@H]1CCCN1c1cc(NCCCOCC(F)(F)F)ncn1 ZINC000180973198 442672253 /nfs/dbraw/zinc/67/22/53/442672253.db2.gz WNIGILVMFGLZFT-NSHDSACASA-N 0 0 334.342 1.819 10 0 EDAERN COC1(CNC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)CCC1 ZINC000181811908 442717657 /nfs/dbraw/zinc/71/76/57/442717657.db2.gz KVIPNPOYPYBTSD-OAHLLOKOSA-N 0 0 335.452 1.886 10 0 EDAERN CCOCCC1(CNC(=O)N2CCN(C[C@H](O)CC)CC2)CC1 ZINC000182033142 442730203 /nfs/dbraw/zinc/73/02/03/442730203.db2.gz YZOSHMGOCUMQDR-OAHLLOKOSA-N 0 0 327.469 1.291 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000193321414 442732791 /nfs/dbraw/zinc/73/27/91/442732791.db2.gz OBWUXHYEZMNSBK-UHFFFAOYSA-N 0 0 327.388 1.766 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccncc3C)CCO2)[nH]1 ZINC000188315070 442737862 /nfs/dbraw/zinc/73/78/62/442737862.db2.gz VNYJTZNZHFUQIR-CYBMUJFWSA-N 0 0 330.392 1.354 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1nc3ccccn3c1=O)[C@@H](C)C2 ZINC000182186565 442743729 /nfs/dbraw/zinc/74/37/29/442743729.db2.gz OSUKFBLLAAHFEE-UGSOOPFHSA-N 0 0 336.395 1.854 10 0 EDAERN CC(C)NC(=O)Nc1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188080073 442708969 /nfs/dbraw/zinc/70/89/69/442708969.db2.gz MPLZFARWVOWWOS-LBPRGKRZSA-N 0 0 332.404 1.567 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CCCc1nc(-c2cccs2)no1 ZINC000188095622 442710977 /nfs/dbraw/zinc/71/09/77/442710977.db2.gz QRNPRJYCYKIQQY-NSHDSACASA-N 0 0 348.428 1.858 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H]1CCC[C@H](O)C1)CC2 ZINC000181712401 442711756 /nfs/dbraw/zinc/71/17/56/442711756.db2.gz LBIZSNXJBZBXJK-MJBXVCDLSA-N 0 0 335.452 1.567 10 0 EDAERN O=C(NC1CN(C(=O)c2ccncc2Br)C1)C1CCC1 ZINC000188492049 442755889 /nfs/dbraw/zinc/75/58/89/442755889.db2.gz JSVMDQCNKDCWBF-UHFFFAOYSA-N 0 0 338.205 1.585 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)CC1CCOCC1)CC2 ZINC000181753555 442714310 /nfs/dbraw/zinc/71/43/10/442714310.db2.gz RSZXJLGMSMDQRL-CQSZACIVSA-N 0 0 335.452 1.784 10 0 EDAERN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000193115025 442714737 /nfs/dbraw/zinc/71/47/37/442714737.db2.gz SYHCJTUOFQQBFH-IHRRRGAJSA-N 0 0 342.461 1.663 10 0 EDAERN NC(=O)c1cccc(CCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000182645956 442800578 /nfs/dbraw/zinc/80/05/78/442800578.db2.gz CJWASLFIHDPZTF-INIZCTEOSA-N 0 0 341.415 1.988 10 0 EDAERN Cc1noc(C)c1CSCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188510473 442758296 /nfs/dbraw/zinc/75/82/96/442758296.db2.gz UEMPDJKSFIRCRH-UHFFFAOYSA-N 0 0 337.445 1.652 10 0 EDAERN CC(C)CNC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182396209 442763340 /nfs/dbraw/zinc/76/33/40/442763340.db2.gz AZQIRNNYWQPIAJ-LLVKDONJSA-N 0 0 330.454 1.014 10 0 EDAERN O=C(NCc1nnc2n1CCCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182401052 442764060 /nfs/dbraw/zinc/76/40/60/442764060.db2.gz WBALWEOCIULAIJ-ZDUSSCGKSA-N 0 0 329.408 1.774 10 0 EDAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C[C@@H](O)CN1CCCC1=O ZINC000246390000 442778236 /nfs/dbraw/zinc/77/82/36/442778236.db2.gz OBSVVZBHYBVULQ-IAGOWNOFSA-N 0 0 348.443 1.076 10 0 EDAERN Cc1nc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1C ZINC000188875337 442832256 /nfs/dbraw/zinc/83/22/56/442832256.db2.gz IRAPGTBGBSCLMG-STQMWFEESA-N 0 0 341.458 1.187 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCOCC(F)F)[C@H]1c1ccc(F)cc1 ZINC000188771188 442809455 /nfs/dbraw/zinc/80/94/55/442809455.db2.gz AQOZJWRJIOAWFL-IUODEOHRSA-N 0 0 344.333 1.743 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCCOc1ccc(F)cc1 ZINC000188779942 442811271 /nfs/dbraw/zinc/81/12/71/442811271.db2.gz XSUCGDMSOZICES-GDBMZVCRSA-N 0 0 338.379 1.035 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)C1)C1CCC1 ZINC000188830342 442822724 /nfs/dbraw/zinc/82/27/24/442822724.db2.gz ATBWZZOFISSUFS-JKSUJKDBSA-N 0 0 331.391 1.992 10 0 EDAERN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188904594 442839763 /nfs/dbraw/zinc/83/97/63/442839763.db2.gz CYOMWXZKDDROQA-SNVBAGLBSA-N 0 0 333.413 1.991 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000188948934 442847897 /nfs/dbraw/zinc/84/78/97/442847897.db2.gz IOKPMUZGTTVMBD-ZDUSSCGKSA-N 0 0 345.443 1.700 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000188948910 442847914 /nfs/dbraw/zinc/84/79/14/442847914.db2.gz IOKPMUZGTTVMBD-CYBMUJFWSA-N 0 0 345.443 1.700 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000189216090 442899618 /nfs/dbraw/zinc/89/96/18/442899618.db2.gz CDNDCHMOVDBECJ-JSGCOSHPSA-N 0 0 340.387 1.380 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Nc3ccncn3)CC2)cs1 ZINC000194190450 442859403 /nfs/dbraw/zinc/85/94/03/442859403.db2.gz ZZHKYVBDBIJMOA-UHFFFAOYSA-N 0 0 332.433 1.981 10 0 EDAERN CN(CC1(CO)CC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000189162396 442889606 /nfs/dbraw/zinc/88/96/06/442889606.db2.gz LWWHIUZLAQTHLL-HOCLYGCPSA-N 0 0 334.391 1.576 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000183243590 442910238 /nfs/dbraw/zinc/91/02/38/442910238.db2.gz MEDCAUUUVWBPHY-KBPBESRZSA-N 0 0 335.452 1.383 10 0 EDAERN Cc1cccc(OCCCNC(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189287732 442913516 /nfs/dbraw/zinc/91/35/16/442913516.db2.gz CMCXBPLIGPFOAF-OAHLLOKOSA-N 0 0 333.432 1.091 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000194599614 442919741 /nfs/dbraw/zinc/91/97/41/442919741.db2.gz VHFBNDRQPREWTD-QGZVFWFLSA-N 0 0 334.416 1.034 10 0 EDAERN Cc1ccc(C(=O)N[C@H](C(=O)NC[C@H]2CN(C)CCO2)C(C)C)cc1 ZINC000194616508 442924422 /nfs/dbraw/zinc/92/44/22/442924422.db2.gz COJYWYNTXKNDKL-IRXDYDNUSA-N 0 0 347.459 1.196 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCC2(CO)CCCC2)C12CCOCC2 ZINC000185668493 318546081 /nfs/dbraw/zinc/54/60/81/318546081.db2.gz CQOHMJRUUYOKAN-GJZGRUSLSA-N 0 0 340.464 1.813 10 0 EDAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCCN(c2cccnn2)CC1 ZINC000189401881 442941267 /nfs/dbraw/zinc/94/12/67/442941267.db2.gz UOISPNZFRHVWLH-UHFFFAOYSA-N 0 0 349.398 1.614 10 0 EDAERN COCCCOc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189443856 442954665 /nfs/dbraw/zinc/95/46/65/442954665.db2.gz ZTVPRAYSTYGMEJ-UHFFFAOYSA-N 0 0 332.400 1.453 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000189453983 442957783 /nfs/dbraw/zinc/95/77/83/442957783.db2.gz RNGNSLLSMHSLJG-HNNXBMFYSA-N 0 0 333.432 1.157 10 0 EDAERN CCc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cnn1-c1ccccc1 ZINC000189395864 318564719 /nfs/dbraw/zinc/56/47/19/318564719.db2.gz QTFZYRQHHJCTAJ-UHFFFAOYSA-N 0 0 338.411 1.785 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000191287631 318572958 /nfs/dbraw/zinc/57/29/58/318572958.db2.gz GHMYXAPRVRVXGN-ZDUSSCGKSA-N 0 0 329.400 1.057 10 0 EDAERN O=C(NC1CN(C(=O)c2cccnc2OCC(F)F)C1)C1CC1 ZINC000189491170 442966813 /nfs/dbraw/zinc/96/68/13/442966813.db2.gz OEMJPLIBTVADLD-UHFFFAOYSA-N 0 0 325.315 1.076 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccc(F)c(F)c1)CC2 ZINC000189648957 442988967 /nfs/dbraw/zinc/98/89/67/442988967.db2.gz YIAOPMNYLHMYCY-LBPRGKRZSA-N 0 0 349.385 1.975 10 0 EDAERN O=C(NC1CN(C(=O)c2cnc(-c3ccccn3)s2)C1)C1CC1 ZINC000189427234 442950565 /nfs/dbraw/zinc/95/05/65/442950565.db2.gz SZZKEHIHQKGGBQ-UHFFFAOYSA-N 0 0 328.397 1.556 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCC[C@H]3CCCCO3)CCO2)[nH]1 ZINC000184417771 443019431 /nfs/dbraw/zinc/01/94/31/443019431.db2.gz IMIBGGCHNZKZGI-KGLIPLIRSA-N 0 0 337.424 1.545 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000189883311 443023868 /nfs/dbraw/zinc/02/38/68/443023868.db2.gz VATMRNTXFILGPE-CZUORRHYSA-N 0 0 335.379 1.346 10 0 EDAERN CC[C@H]1CN(C(=O)Cc2cccc(COC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000189915403 443028264 /nfs/dbraw/zinc/02/82/64/443028264.db2.gz FHDNYEPZQBHFMO-QAPCUYQASA-N 0 0 334.460 1.679 10 0 EDAERN Cc1ccc(CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)o1 ZINC000223242250 443087674 /nfs/dbraw/zinc/08/76/74/443087674.db2.gz UDXWFJOPPRMZIF-ZWKOTPCHSA-N 0 0 342.395 1.845 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000190361630 443092420 /nfs/dbraw/zinc/09/24/20/443092420.db2.gz GUJPAXYBAGAUJM-NSHDSACASA-N 0 0 338.433 1.332 10 0 EDAERN Cc1cc(Nc2cc(NC3(C(N)=O)CC3)cnc2C(N)=O)sn1 ZINC000223971872 443095923 /nfs/dbraw/zinc/09/59/23/443095923.db2.gz UDRJNGSEWSPSKU-UHFFFAOYSA-N 0 0 332.389 1.119 10 0 EDAERN COc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1F ZINC000184908538 443096363 /nfs/dbraw/zinc/09/63/63/443096363.db2.gz DZHUYZCZDYDSPR-DGCLKSJQSA-N 0 0 338.379 1.749 10 0 EDAERN O=C(CCCc1ccccc1)NCc1nccc(N2CCOCC2)n1 ZINC000224169589 443097042 /nfs/dbraw/zinc/09/70/42/443097042.db2.gz YVTCOOTYIWXFKC-UHFFFAOYSA-N 0 0 340.427 1.952 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NOCc3ccc(F)cc3)CCO2)c1 ZINC000184667277 443056792 /nfs/dbraw/zinc/05/67/92/443056792.db2.gz HPLGUFIMYFCWBA-INIZCTEOSA-N 0 0 348.378 1.873 10 0 EDAERN Cc1cc(C)n(Cc2cccc(C(=O)NCc3nc(N)n[nH]3)c2)n1 ZINC000220517690 443066937 /nfs/dbraw/zinc/06/69/37/443066937.db2.gz HEZUZEUTSZISBA-UHFFFAOYSA-N 0 0 325.376 1.179 10 0 EDAERN CCCN1CCCN(C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000190217456 443073105 /nfs/dbraw/zinc/07/31/05/443073105.db2.gz OALDZYHWSUTWNW-CYBMUJFWSA-N 0 0 348.451 1.329 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@H](O)COCc2cccs2)n1 ZINC000185082590 443132944 /nfs/dbraw/zinc/13/29/44/443132944.db2.gz CNOZTWGOGPRUCT-JSGCOSHPSA-N 0 0 339.417 1.391 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccnn3C(C)(C)C)CCO2)[nH]1 ZINC000190548995 443134087 /nfs/dbraw/zinc/13/40/87/443134087.db2.gz DVJFLFQZYYUKHT-NSHDSACASA-N 0 0 347.423 1.924 10 0 EDAERN CCc1nc(CCNC(=O)N2CCN(C[C@H](O)CC)CC2)cs1 ZINC000185041684 443123793 /nfs/dbraw/zinc/12/37/93/443123793.db2.gz IOMTXOYVHQYAGK-CQSZACIVSA-N 0 0 340.493 1.346 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(=O)[O-] ZINC000185056628 443127917 /nfs/dbraw/zinc/12/79/17/443127917.db2.gz JBHDIPZBFZGEFS-HOCLYGCPSA-N 0 0 333.432 1.472 10 0 EDAERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000185224136 443165314 /nfs/dbraw/zinc/16/53/14/443165314.db2.gz FROITWOTMYBBOB-ZWNOBZJWSA-N 0 0 338.791 1.262 10 0 EDAERN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190754237 443176925 /nfs/dbraw/zinc/17/69/25/443176925.db2.gz DIBBNNPDGDLUEY-GFCCVEGCSA-N 0 0 334.326 1.791 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)NC(=O)NC3CCCC3)CCO2)cn1 ZINC000190783142 443183239 /nfs/dbraw/zinc/18/32/39/443183239.db2.gz RFTWHWWYZGLLMY-OAHLLOKOSA-N 0 0 349.435 1.045 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000185160014 443151046 /nfs/dbraw/zinc/15/10/46/443151046.db2.gz WCPKOKVNAKCNJW-RKDXNWHRSA-N 0 0 329.278 1.081 10 0 EDAERN C[C@H](CO)N(C[C@H](C)O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000190635849 443153858 /nfs/dbraw/zinc/15/38/58/443153858.db2.gz QIJQEDMXHCEKAM-ILXRZTDVSA-N 0 0 346.431 1.707 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(OC(F)F)n(C)n2)C[C@H]1C ZINC000185600517 443225456 /nfs/dbraw/zinc/22/54/56/443225456.db2.gz DZKVLFZNHIZXRK-LLVKDONJSA-N 0 0 346.378 1.204 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccnnc2)CC1 ZINC000191020908 443226359 /nfs/dbraw/zinc/22/63/59/443226359.db2.gz YISCTOANRWBVMD-UHFFFAOYSA-N 0 0 348.447 1.745 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](CO)Cc1cccc(C)c1 ZINC000191122524 443244508 /nfs/dbraw/zinc/24/45/08/443244508.db2.gz FDTRRZMMFAYNHO-ZWKOTPCHSA-N 0 0 334.460 1.516 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccnc2ccncc21 ZINC000185678064 443237164 /nfs/dbraw/zinc/23/71/64/443237164.db2.gz UQZORGSDIOVHLW-ZDUSSCGKSA-N 0 0 334.383 1.819 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000190981832 443219090 /nfs/dbraw/zinc/21/90/90/443219090.db2.gz YULUDZDLAWTPTH-CYBMUJFWSA-N 0 0 333.413 1.376 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(-c2nc[nH]n2)cc1 ZINC000185750912 443251064 /nfs/dbraw/zinc/25/10/64/443251064.db2.gz IFYHWGVUHIGEHE-HNNXBMFYSA-N 0 0 349.398 1.661 10 0 EDAERN CCOCCONC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000185760887 443252679 /nfs/dbraw/zinc/25/26/79/443252679.db2.gz AUKFVUWDDLHOKK-UHFFFAOYSA-N 0 0 339.440 1.088 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)C[C@@H](C)O1 ZINC000246166545 443274584 /nfs/dbraw/zinc/27/45/84/443274584.db2.gz BUMUXUQAJQIWDG-JHJVBQTASA-N 0 0 328.478 1.960 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)CCOCC(F)F)CC2)cn1 ZINC000191325674 443278837 /nfs/dbraw/zinc/27/88/37/443278837.db2.gz JSHJYTAFKHRPKI-UHFFFAOYSA-N 0 0 330.379 1.126 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000185956723 443290718 /nfs/dbraw/zinc/29/07/18/443290718.db2.gz FYDLJAWHOVSURL-QGZVFWFLSA-N 0 0 349.475 1.512 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(N)cc3)C2)no1 ZINC000185957975 443291065 /nfs/dbraw/zinc/29/10/65/443291065.db2.gz FWTZKIDQCPUYDX-LBPRGKRZSA-N 0 0 336.417 1.604 10 0 EDAERN Cc1[nH]ccc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328637721 444407365 /nfs/dbraw/zinc/40/73/65/444407365.db2.gz OSXBHYJLIGFYAW-GJZGRUSLSA-N 0 0 331.395 1.798 10 0 EDAERN CN(C)c1ccc(N[C@@H]2CCCN(C(=O)Cc3cc[nH]n3)CC2)cn1 ZINC000328642928 444411060 /nfs/dbraw/zinc/41/10/60/444411060.db2.gz RFBMUKZDDIZKQM-CQSZACIVSA-N 0 0 342.447 1.906 10 0 EDAERN CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(N2CCn3cnnc3C2)n1 ZINC000328625375 444399425 /nfs/dbraw/zinc/39/94/25/444399425.db2.gz DBWXDNVCXDZRAA-XJKSGUPXSA-N 0 0 343.435 1.704 10 0 EDAERN CNC(=O)c1ccn([C@@H]2CCCN(Cc3cnc4ncccn34)C2)n1 ZINC000328625386 444399624 /nfs/dbraw/zinc/39/96/24/444399624.db2.gz DCTSQIYAIJCSNV-CYBMUJFWSA-N 0 0 339.403 1.123 10 0 EDAERN O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCC(Oc2cnccn2)CC1 ZINC000375743225 447015867 /nfs/dbraw/zinc/01/58/67/447015867.db2.gz NUROPVFCPRVEDK-LBPRGKRZSA-N 0 0 343.387 1.387 10 0 EDAERN Cc1oc(Br)cc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000396657554 447545593 /nfs/dbraw/zinc/54/55/93/447545593.db2.gz MYLHIRVAYIMHHE-NSHDSACASA-N 0 0 343.221 1.897 10 0 EDAERN Cc1ncsc1/C=C\C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000492717922 448263838 /nfs/dbraw/zinc/26/38/38/448263838.db2.gz RXMXYYWWGIGJKC-PLNGDYQASA-N 0 0 329.429 2.358 10 0 EDAERN O=S(=O)(c1cncc(Cl)c1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583616416 448443248 /nfs/dbraw/zinc/44/32/48/448443248.db2.gz OREHPRFEZBHLTD-MCIONIFRSA-N 0 0 346.836 1.286 10 0 EDAERN Cn1nnc2ccc(C(=O)N[C@H]3CC[C@@H](C(F)(F)F)N(C)C3)cc21 ZINC000583618072 448447132 /nfs/dbraw/zinc/44/71/32/448447132.db2.gz ABDKWWIRHAPBPU-GWCFXTLKSA-N 0 0 341.337 1.723 10 0 EDAERN CCn1c(CN2CCC[C@](O)(c3cn[nH]n3)C2)nc2c1cccc2F ZINC000583618006 448447640 /nfs/dbraw/zinc/44/76/40/448447640.db2.gz TZIZZIWMPQZPBS-QGZVFWFLSA-N 0 0 344.394 1.797 10 0 EDAERN CC(=O)N1C[C@H](NC(=O)c2cn(C)nc2C)CC[C@@H]1C(F)(F)F ZINC000583618815 448448189 /nfs/dbraw/zinc/44/81/89/448448189.db2.gz OMTVORDNCWUXKH-ZYHUDNBSSA-N 0 0 332.326 1.400 10 0 EDAERN CN1C(=O)C[C@@H](NCc2nc(C(C)(C)C)no2)[C@@H]1c1cccnc1 ZINC000583620193 448450253 /nfs/dbraw/zinc/45/02/53/448450253.db2.gz UABPYWDRJBKXEU-DOMZBBRYSA-N 0 0 329.404 1.824 10 0 EDAERN CCOc1ccc2c(c1)CN(C(=O)[C@]1(O)CCCN(C(C)=O)C1)CC2 ZINC000583620134 448450988 /nfs/dbraw/zinc/45/09/88/448450988.db2.gz BZJMTNBKIFWZMB-IBGZPJMESA-N 0 0 346.427 1.343 10 0 EDAERN CN1C(=O)C[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1cccnc1 ZINC000583621031 448452237 /nfs/dbraw/zinc/45/22/37/448452237.db2.gz NEMWTUXUJRGNFX-DYVFJYSZSA-N 0 0 339.399 1.316 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)CCO1 ZINC000583622873 448453316 /nfs/dbraw/zinc/45/33/16/448453316.db2.gz WHCRJSUMCWAWBK-GDBMZVCRSA-N 0 0 341.415 1.721 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1ccc(Br)c(F)c1F ZINC000528428349 448524553 /nfs/dbraw/zinc/52/45/53/448524553.db2.gz DOYLIPAZVJTXSG-VIFPVBQESA-N 0 0 335.148 1.413 10 0 EDAERN Cc1cn2nc(N[C@H]3CCN(C(=O)c4cc(C)oc4C)C3)ccc2n1 ZINC000575010405 449013076 /nfs/dbraw/zinc/01/30/76/449013076.db2.gz PBQMBBSQALLJHA-AWEZNQCLSA-N 0 0 339.399 2.574 10 0 EDAERN CC(C)n1nnnc1Cn1cccc(I)c1=O ZINC000603343495 450253700 /nfs/dbraw/zinc/25/37/00/450253700.db2.gz IXLZSXUKXVDAAG-UHFFFAOYSA-N 0 0 345.144 1.069 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)Nc2ccnnc2C)[C@H]1c1nccn1C ZINC000622840111 450314681 /nfs/dbraw/zinc/31/46/81/450314681.db2.gz BFJLAEPOXAMRGM-WFASDCNBSA-N 0 0 342.403 1.457 10 0 EDAERN CN1C[C@@H](CNC(=O)c2cccc(Br)c2F)CC1=O ZINC000618996887 450368944 /nfs/dbraw/zinc/36/89/44/450368944.db2.gz HGPNSEKIJDNHAI-MRVPVSSYSA-N 0 0 329.169 1.796 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@H](c2ccccc2CO)C1 ZINC000616644179 450456647 /nfs/dbraw/zinc/45/66/47/450456647.db2.gz SRZKJLMXOGSUBK-KRWDZBQOSA-N 0 0 333.409 1.941 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCCOC[C@H]1OC(F)(F)F ZINC000616649728 450457653 /nfs/dbraw/zinc/45/76/53/450457653.db2.gz WYOSFUGFXGBPTO-LLVKDONJSA-N 0 0 325.308 1.960 10 0 EDAERN CS(=O)(=O)N1C[C@@H](c2ccc(C(N)=O)cc2)Nc2ccccc21 ZINC000616678986 450459405 /nfs/dbraw/zinc/45/94/05/450459405.db2.gz AFLJVRKRPZXCTG-AWEZNQCLSA-N 0 0 331.397 1.718 10 0 EDAERN CS(=O)(=O)N1C[C@@H](c2cccc(C(N)=O)c2)Nc2ccccc21 ZINC000616681128 450459893 /nfs/dbraw/zinc/45/98/93/450459893.db2.gz SGYJMBJFYWYEON-AWEZNQCLSA-N 0 0 331.397 1.718 10 0 EDAERN COC(=O)[C@@H]1CN(CCNC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000616693501 450461159 /nfs/dbraw/zinc/46/11/59/450461159.db2.gz VYNBTYVVLBWQCS-ZDUSSCGKSA-N 0 0 335.404 1.985 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2ccc3ccnnc3c2)Nc2ccccc21 ZINC000616692984 450461321 /nfs/dbraw/zinc/46/13/21/450461321.db2.gz ZIYBEGKFBAFDGZ-OAHLLOKOSA-N 0 0 341.396 1.807 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cnn4ncccc34)C[C@@H](C)O2)n1 ZINC000628856790 451441032 /nfs/dbraw/zinc/44/10/32/451441032.db2.gz GQNMSUBTNDTFBP-NOZJJQNGSA-N 0 0 328.332 1.023 10 0 EDAERN Cc1cc(NC(=O)CN2CCCC[C@@H](O)C2=O)nn1C1CCCCC1 ZINC000644485980 451803546 /nfs/dbraw/zinc/80/35/46/451803546.db2.gz YDTKTJWVUBEPEW-OAHLLOKOSA-N 0 0 348.447 2.009 10 0 EDAERN COCCN(C)c1ccc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)cn1 ZINC000643772620 452620707 /nfs/dbraw/zinc/62/07/07/452620707.db2.gz KOVCEZXRUKDNGU-CVEARBPZSA-N 0 0 345.447 1.849 10 0 EDAERN Cc1nnc(COC2CN(C(=O)[C@](C)(O)CCc3ccccc3)C2)o1 ZINC000644223992 453161307 /nfs/dbraw/zinc/16/13/07/453161307.db2.gz UEIRRVXLSQPGQZ-GOSISDBHSA-N 0 0 345.399 1.489 10 0 EDAERN Cc1[nH]c2c(cccc2C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c1C ZINC000671604753 486663435 /nfs/dbraw/zinc/66/34/35/486663435.db2.gz IALMLJVCYTZIQI-SFHVURJKSA-N 0 0 339.399 1.653 10 0 EDAERN C[C@@H]1CCC[N@@H+]([C@H](c2ccc(F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)C1 ZINC000105838929 487223736 /nfs/dbraw/zinc/22/37/36/487223736.db2.gz VHXHWZXCYQCQHS-QMTHXVAHSA-N 0 0 333.363 1.729 10 0 EDAERN COC(=O)[C@H](C)n1cc(I)c2cncnc21 ZINC000205587822 485731666 /nfs/dbraw/zinc/73/16/66/485731666.db2.gz YBGIAKXCSHGZOY-LURJTMIESA-N 0 0 331.113 1.770 10 0 EDAERN CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000090651476 485869085 /nfs/dbraw/zinc/86/90/85/485869085.db2.gz AHCBSJBGDXHNAS-UFRUDQCGSA-N 0 0 344.455 1.697 10 0 EDAERN COc1nccnc1N1CC[C@@H](N(C)C(=O)NCc2ccco2)C1 ZINC000065269031 490997222 /nfs/dbraw/zinc/99/72/22/490997222.db2.gz HWYGLTGGUBSLHQ-GFCCVEGCSA-N 0 0 331.376 1.499 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000170807492 533738523 /nfs/dbraw/zinc/73/85/23/533738523.db2.gz UBCMVHBTGSBNTR-SKDRFNHKSA-N 0 0 340.221 1.887 10 0 EDAERN COc1cc(CNC(=O)N2CCC(Nc3cccnn3)CC2)ccn1 ZINC000153238654 533838651 /nfs/dbraw/zinc/83/86/51/533838651.db2.gz SMDCPSNMZOQVRK-UHFFFAOYSA-N 0 0 342.403 1.666 10 0 EDAERN Cc1cc(NC(=O)CSC[C@@H](O)CO)n(-c2ccc(C)cc2)n1 ZINC000177409191 533949413 /nfs/dbraw/zinc/94/94/13/533949413.db2.gz ZSOHMYGKAMWAFU-AWEZNQCLSA-N 0 0 335.429 1.514 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)c1cnn(C)c1)C(C)C ZINC000173011871 533975149 /nfs/dbraw/zinc/97/51/49/533975149.db2.gz LWQHRVQUQQAOTF-INIZCTEOSA-N 0 0 344.415 1.846 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)[nH]n2)o1 ZINC000173830583 534175046 /nfs/dbraw/zinc/17/50/46/534175046.db2.gz OXQOJOPZTGWUBR-BLLLJJGKSA-N 0 0 344.415 1.771 10 0 EDAERN Cc1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)nc1 ZINC000184203402 534180550 /nfs/dbraw/zinc/18/05/50/534180550.db2.gz ZTAKMRLMGHKYAG-UHFFFAOYSA-N 0 0 338.375 1.182 10 0 EDAERN CSc1ccc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)o1 ZINC000174986360 534186931 /nfs/dbraw/zinc/18/69/31/534186931.db2.gz GYUVFDOIRSVDOF-LLVKDONJSA-N 0 0 348.428 1.969 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2ccc(Cl)cn2)C[C@H]1N1CCOCC1 ZINC000180827266 534317435 /nfs/dbraw/zinc/31/74/35/534317435.db2.gz CMHKSMWSFSFSJG-IUODEOHRSA-N 0 0 338.839 1.597 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCc3cccnc3)C2)no1 ZINC000170889137 534406284 /nfs/dbraw/zinc/40/62/84/534406284.db2.gz UEUTVOHTDZTEDL-HNNXBMFYSA-N 0 0 329.404 1.980 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CNC(=O)c3cccs3)C2)no1 ZINC000171485937 534406569 /nfs/dbraw/zinc/40/65/69/534406569.db2.gz CYTFQYHJTYCJAP-LBPRGKRZSA-N 0 0 348.428 1.651 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)Nc3ccc(C(N)=O)cc3)C2)no1 ZINC000171445637 534412167 /nfs/dbraw/zinc/41/21/67/534412167.db2.gz CFGISAOOWFJMEI-GFCCVEGCSA-N 0 0 343.387 1.964 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1N1CCOCC1 ZINC000173827214 534414034 /nfs/dbraw/zinc/41/40/34/534414034.db2.gz GOBSRBDZFQUZRJ-YPMHNXCESA-N 0 0 343.349 1.893 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000181599246 534461890 /nfs/dbraw/zinc/46/18/90/534461890.db2.gz BXDAIRJYKPESGQ-QGZVFWFLSA-N 0 0 326.396 1.875 10 0 EDAERN NC(=O)c1cccc(CCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000182645937 534491348 /nfs/dbraw/zinc/49/13/48/534491348.db2.gz CJWASLFIHDPZTF-MRXNPFEDSA-N 0 0 341.415 1.988 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)s1 ZINC000135293385 534500560 /nfs/dbraw/zinc/50/05/60/534500560.db2.gz NXHBHZFMTCBELB-SNVBAGLBSA-N 0 0 347.444 1.803 10 0 EDAERN O=C(CN1CSCC1=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176458578 534552183 /nfs/dbraw/zinc/55/21/83/534552183.db2.gz VOLVHEINHSOJFZ-GFCCVEGCSA-N 0 0 349.460 1.201 10 0 EDAERN [NH3+]C1CCC(Nc2nc[n-]c(=O)c2I)CC1 ZINC000165690308 534561643 /nfs/dbraw/zinc/56/16/43/534561643.db2.gz MVRGDWYHQLVARN-UHFFFAOYSA-N 0 0 334.161 1.056 10 0 EDAERN O=C(c1cc(-n2cccn2)ccn1)N1CCCN(c2cccnn2)CC1 ZINC000134857205 534657323 /nfs/dbraw/zinc/65/73/23/534657323.db2.gz QAXFQCLWNCRSNA-UHFFFAOYSA-N 0 0 349.398 1.410 10 0 EDAERN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3C[C@@H](C)[NH2+][C@H](C)C3)nc21 ZINC000032051915 523350445 /nfs/dbraw/zinc/35/04/45/523350445.db2.gz KRKFQVXYIGNOAM-NXEZZACHSA-N 0 0 348.378 1.440 10 0 EDAERN C[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC[NH2+]1 ZINC000032051881 524676086 /nfs/dbraw/zinc/67/60/86/524676086.db2.gz JWVOMVNDMVBEDU-VIFPVBQESA-N 0 0 346.362 1.367 10 0 EDAERN Cc1csc(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000181419357 534811967 /nfs/dbraw/zinc/81/19/67/534811967.db2.gz VKNIPHUPIKJLTF-LLVKDONJSA-N 0 0 334.449 1.981 10 0 EDAERN O=C1OCc2ccc(S(=O)(=O)N3CCC[C@@H]3Cn3ccnc3)cc21 ZINC000173731548 534819048 /nfs/dbraw/zinc/81/90/48/534819048.db2.gz PJERTJWCISMNQX-CYBMUJFWSA-N 0 0 347.396 1.407 10 0 EDAERN CC(=O)Nc1sc(NC(=O)[C@@H]2CNC(=O)C2)nc1-c1ccccc1 ZINC000187012261 527106335 /nfs/dbraw/zinc/10/63/35/527106335.db2.gz QXBSLRJRXUNIEB-NSHDSACASA-N 0 0 344.396 1.843 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCCCNC(=O)C(C)C)C(C)C ZINC000159163042 527667242 /nfs/dbraw/zinc/66/72/42/527667242.db2.gz ZZVFCUKORARUFR-HNNXBMFYSA-N 0 0 327.469 1.452 10 0 EDAERN CC(C)[C@H](O)CC(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000159010164 527720370 /nfs/dbraw/zinc/72/03/70/527720370.db2.gz GVLNYLNDTSTFMY-CZUORRHYSA-N 0 0 330.388 1.613 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2cc(N)cc(Br)c2)C1 ZINC000165730435 527738559 /nfs/dbraw/zinc/73/85/59/527738559.db2.gz VYOLYNVHKROISQ-CYBMUJFWSA-N 0 0 342.237 1.482 10 0 EDAERN CCCC(=O)Nc1ccc(CNC(=O)N2CC(NC(C)=O)C2)cc1 ZINC000189827505 527957902 /nfs/dbraw/zinc/95/79/02/527957902.db2.gz YSUZFOBAVGTCQK-UHFFFAOYSA-N 0 0 332.404 1.455 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000153841860 527991298 /nfs/dbraw/zinc/99/12/98/527991298.db2.gz OLSURSMJPQVPFL-GFCCVEGCSA-N 0 0 325.434 1.692 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000155010228 528051377 /nfs/dbraw/zinc/05/13/77/528051377.db2.gz ZQXWAKWNZQVDEH-NFAWXSAZSA-N 0 0 325.453 1.985 10 0 EDAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000131774561 528136659 /nfs/dbraw/zinc/13/66/59/528136659.db2.gz HHSWOZSNTKTANC-JKSUJKDBSA-N 0 0 343.427 1.972 10 0 EDAERN CCCN1CCN(Cc2c(N)cccc2Br)C(=O)C1=O ZINC000158146840 528246279 /nfs/dbraw/zinc/24/62/79/528246279.db2.gz ONQDJVBNAUZNNP-UHFFFAOYSA-N 0 0 340.221 1.612 10 0 EDAERN CCOC(=O)c1cn(C)nc1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000184022365 528281455 /nfs/dbraw/zinc/28/14/55/528281455.db2.gz VGVDUHUQQCSNMW-GFCCVEGCSA-N 0 0 346.391 1.490 10 0 EDAERN CC(C)Oc1ncccc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173809331 528282702 /nfs/dbraw/zinc/28/27/02/528282702.db2.gz HKVIAPFGYWFBBE-CQSZACIVSA-N 0 0 334.420 1.807 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)CNC(=O)c2cccnc2)no1 ZINC000163809497 528317859 /nfs/dbraw/zinc/31/78/59/528317859.db2.gz GNXQIQPJRCEXFI-CYBMUJFWSA-N 0 0 343.387 1.682 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C(N)=O)nc1)CC2 ZINC000164412144 528334600 /nfs/dbraw/zinc/33/46/00/528334600.db2.gz SQACLDCJKSZEHW-NSHDSACASA-N 0 0 343.391 1.032 10 0 EDAERN CC(C)C[C@@H]1C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168902519 528362697 /nfs/dbraw/zinc/36/26/97/528362697.db2.gz BDSVOZVIGYBLSM-GFCCVEGCSA-N 0 0 340.221 1.717 10 0 EDAERN CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164738286 528422206 /nfs/dbraw/zinc/42/22/06/528422206.db2.gz VYPXPFZQJGMPEG-SECBINFHSA-N 0 0 333.841 1.424 10 0 EDAERN CCNc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2CCOC2)cc1Cl ZINC000166822148 528448829 /nfs/dbraw/zinc/44/88/29/528448829.db2.gz KERWLVWRAUWNMS-UWVGGRQHSA-N 0 0 333.841 1.870 10 0 EDAERN CCCc1cc(NC(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)n(C)n1 ZINC000179670049 528607128 /nfs/dbraw/zinc/60/71/28/528607128.db2.gz CHGACAXOWHTPDC-LBPRGKRZSA-N 0 0 347.423 1.659 10 0 EDAERN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1S(N)(=O)=O ZINC000158457645 528693793 /nfs/dbraw/zinc/69/37/93/528693793.db2.gz YCUNUXNVQTUQKI-UHFFFAOYSA-N 0 0 328.825 1.826 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000177714738 529171033 /nfs/dbraw/zinc/17/10/33/529171033.db2.gz RYSGFHHSVYFQJB-ZDUSSCGKSA-N 0 0 348.428 1.645 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000181853405 529226882 /nfs/dbraw/zinc/22/68/82/529226882.db2.gz OCYWZQHREULDIV-IAGOWNOFSA-N 0 0 349.475 1.860 10 0 EDAERN CC[C@H]1NC(=O)[C@@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168888023 529331275 /nfs/dbraw/zinc/33/12/75/529331275.db2.gz ZSCWQVSFEVADDR-LDYMZIIASA-N 0 0 326.194 1.470 10 0 EDAERN CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@@H]1CNC(=O)C1 ZINC000132971614 529365479 /nfs/dbraw/zinc/36/54/79/529365479.db2.gz UNPGDMQQRPVTNP-ZUZCIYMTSA-N 0 0 325.796 1.535 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000193362094 535316712 /nfs/dbraw/zinc/31/67/12/535316712.db2.gz LLEFPMDIRNXMRS-QAPCUYQASA-N 0 0 334.416 1.940 10 0 EDAERN CCCCS(=O)(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000062577642 535335210 /nfs/dbraw/zinc/33/52/10/535335210.db2.gz ONTPACURFZKMPZ-UHFFFAOYSA-N 0 0 338.433 1.108 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C)n1CC ZINC000091049832 535646363 /nfs/dbraw/zinc/64/63/63/535646363.db2.gz WNOHSFNLTSELRO-WDEREUQCSA-N 0 0 330.454 1.215 10 0 EDAERN CCN(CCNC(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1C ZINC000049130228 535730693 /nfs/dbraw/zinc/73/06/93/535730693.db2.gz TUIQYYJPBZAJAW-QGZVFWFLSA-N 0 0 348.491 1.841 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000132173581 535938937 /nfs/dbraw/zinc/93/89/37/535938937.db2.gz ICSBIMFVUJSXOO-CYBMUJFWSA-N 0 0 345.403 1.853 10 0 EDAERN CN(C)c1nc2ccc(NC(=O)N3CCN4C(=O)N=NC4C3)cc2o1 ZINC000333705400 536157597 /nfs/dbraw/zinc/15/75/97/536157597.db2.gz LHQIYCOTSZCIDN-UHFFFAOYSA-N 0 0 343.347 1.239 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cnc(C)s1)CC2 ZINC000172040344 536162364 /nfs/dbraw/zinc/16/23/64/536162364.db2.gz VDKQHNQBTVMZFE-LLVKDONJSA-N 0 0 334.449 1.762 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NOC[C@H]2CCOC2)[C@@H]1c1ccccc1 ZINC000248882221 536308750 /nfs/dbraw/zinc/30/87/50/536308750.db2.gz GNYFQOISEFRHFI-QRTARXTBSA-N 0 0 332.400 1.680 10 0 EDAERN COc1ccc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000247380174 536800681 /nfs/dbraw/zinc/80/06/81/536800681.db2.gz VVAYNRLJNGMJEI-RHSMWYFYSA-N 0 0 344.415 1.620 10 0 EDAERN CO[C@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl ZINC000224655101 536863905 /nfs/dbraw/zinc/86/39/05/536863905.db2.gz WJEWLHYQUIPNHI-ZCFIWIBFSA-N 0 0 341.216 1.406 10 0 EDAERN COc1cccc(CO[C@@H](C)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188560465 537109999 /nfs/dbraw/zinc/10/99/99/537109999.db2.gz LLRGIVQLKMQPEY-ZDUSSCGKSA-N 0 0 346.427 1.727 10 0 EDAERN O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135713800 590930598 /nfs/dbraw/zinc/93/05/98/590930598.db2.gz NQEPQBHYQHWOHJ-MRXNPFEDSA-N 0 0 335.367 1.956 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC000888077555 590933115 /nfs/dbraw/zinc/93/31/15/590933115.db2.gz IKJQHIZCSQYEMD-HUUCEWRRSA-N 0 0 338.371 1.593 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nnnn2-c2ccccc2)C1 ZINC000888077818 590933234 /nfs/dbraw/zinc/93/32/34/590933234.db2.gz XASVTBFGLZULTK-ZIAGYGMSSA-N 0 0 325.376 1.347 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(c3nccn4ccnc34)CC2)n1 ZINC000892363764 590990138 /nfs/dbraw/zinc/99/01/38/590990138.db2.gz FHCJTRSGJVIJJY-GFCCVEGCSA-N 0 0 327.392 1.558 10 0 EDAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)C1(Oc2ccccc2F)CC1 ZINC000888095391 591026233 /nfs/dbraw/zinc/02/62/33/591026233.db2.gz YEELTNZMFHABEX-HUUCEWRRSA-N 0 0 335.375 1.783 10 0 EDAERN Cn1c(CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc2ccccc21 ZINC000888098217 591028379 /nfs/dbraw/zinc/02/83/79/591028379.db2.gz BRQSTDLGQFUFLK-BEFAXECRSA-N 0 0 325.412 1.894 10 0 EDAERN CNC(=O)[C@H]1CC(=O)N(C2CN(Cc3cc4ccc(C)cc4[nH]3)C2)C1 ZINC000888098994 591028755 /nfs/dbraw/zinc/02/87/55/591028755.db2.gz OKOWKMLUSHWFCF-AWEZNQCLSA-N 0 0 340.427 1.255 10 0 EDAERN CCN1C(=O)CC[C@H](CNC(=O)c2c[nH]nc2C)[C@H]1c1cnn(C)c1 ZINC000888102720 591030914 /nfs/dbraw/zinc/03/09/14/591030914.db2.gz IKZRRMUSBONQTQ-WBMJQRKESA-N 0 0 344.419 1.181 10 0 EDAERN Cn1ccc(C2CCN(c3cc(N4CCC[C@H]4CO)ncn3)CC2)n1 ZINC000895643828 591239850 /nfs/dbraw/zinc/23/98/50/591239850.db2.gz AHTBHEUMCMLTDY-HNNXBMFYSA-N 0 0 342.447 1.555 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc(=O)[nH][nH]1 ZINC000898865841 591569199 /nfs/dbraw/zinc/56/91/99/591569199.db2.gz AHOVISWVZKICBZ-NXEZZACHSA-N 0 0 348.790 1.999 10 0 EDAERN CO[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)C[C@H]1c1cn[nH]n1 ZINC000898019821 591758516 /nfs/dbraw/zinc/75/85/16/591758516.db2.gz OKXNFSKBNVAVDF-JOYOIKCWSA-N 0 0 330.323 1.075 10 0 EDAERN Cc1noc(C(F)(F)F)c1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000855079429 595593321 /nfs/dbraw/zinc/59/33/21/595593321.db2.gz CRBQSPQUCDABHL-WEDXCCLWSA-N 0 0 330.266 1.303 10 0 EDAERN Cc1cnn(CCNC(=O)c2sccc2S(=O)(=O)C(F)F)c1 ZINC000117810188 595831493 /nfs/dbraw/zinc/83/14/93/595831493.db2.gz XAUGHCWPLCRTJE-UHFFFAOYSA-N 0 0 349.384 1.679 10 0 EDAERN CN(Cc1ccc(Cl)cc1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126576266 597532981 /nfs/dbraw/zinc/53/29/81/597532981.db2.gz STNJJUYQESSIFP-ZDUSSCGKSA-N 0 0 330.837 1.075 10 0 EDAERN C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1cccc(Cl)c1 ZINC000126620391 597542063 /nfs/dbraw/zinc/54/20/63/597542063.db2.gz YAZFBXNLYZBSDW-GXFFZTMASA-N 0 0 330.837 1.294 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(C3N=NC(=S)O3)cc2)c1 ZINC000127189319 597628115 /nfs/dbraw/zinc/62/81/15/597628115.db2.gz QGAGZGRXNYEISR-UHFFFAOYSA-N 0 0 329.385 1.960 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)C3=C(C)OCCC3)CC2)n1 ZINC000131838164 597747427 /nfs/dbraw/zinc/74/74/27/597747427.db2.gz IXLRTKYHVDVVKR-UHFFFAOYSA-N 0 0 332.404 1.608 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)Cn2nnc3c(cnn3C)c2=O)C12CCCC2 ZINC000132686224 597880612 /nfs/dbraw/zinc/88/06/12/597880612.db2.gz VOBMFBIZGYIAKT-KGLIPLIRSA-N 0 0 346.435 1.152 10 0 EDAERN Cc1nn(C)c(C)c1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000154645825 697133145 /nfs/dbraw/zinc/13/31/45/697133145.db2.gz FKGXDNIFZFVLSH-NSHDSACASA-N 0 0 327.340 1.627 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)OC2CCN(C=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000181947521 700212759 /nfs/dbraw/zinc/21/27/59/700212759.db2.gz YZELAJRZFWIMHV-NVXWUHKLSA-N 0 0 348.374 1.509 10 0 EDAERN Nc1cc(Cl)ccc1-c1nnnn1C[C@H]1CCS(=O)(=O)C1 ZINC000050604483 214060247 /nfs/dbraw/zinc/06/02/47/214060247.db2.gz JTXJSVSQWQMJSQ-MRVPVSSYSA-N 0 0 327.797 1.010 10 0 EDAERN NS(=O)(=O)c1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000050891617 214072560 /nfs/dbraw/zinc/07/25/60/214072560.db2.gz KHWNYINWBRABCB-UHFFFAOYSA-N 0 0 347.183 1.683 10 0 EDAERN NC(=S)c1ccccc1CS(=O)(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052010438 214112562 /nfs/dbraw/zinc/11/25/62/214112562.db2.gz FCHGXFBALSVRMQ-OLZOCXBDSA-N 0 0 328.459 1.044 10 0 EDAERN CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCC1 ZINC000052215079 214123181 /nfs/dbraw/zinc/12/31/81/214123181.db2.gz WLLJXGFURIZTLL-UHFFFAOYSA-N 0 0 332.447 1.353 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1nc2nccc(C)n2n1)c1ccccc1 ZINC000053660809 214192431 /nfs/dbraw/zinc/19/24/31/214192431.db2.gz WOPNTJVSMNOBPZ-CYBMUJFWSA-N 0 0 339.355 1.467 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=S ZINC000054154482 214220750 /nfs/dbraw/zinc/22/07/50/214220750.db2.gz AYZYFLVWSVYYJK-ZETCQYMHSA-N 0 0 326.365 1.906 10 0 EDAERN C[C@H](CNS(=O)(=O)c1sccc1Br)C(N)=S ZINC000054154304 214220912 /nfs/dbraw/zinc/22/09/12/214220912.db2.gz KFDYDHSPXZRXAZ-RXMQYKEDSA-N 0 0 343.293 1.711 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)Nc1nncs1)C(C)C ZINC000054194765 214223044 /nfs/dbraw/zinc/22/30/44/214223044.db2.gz GRIQULLNDQYWDY-GFCCVEGCSA-N 0 0 334.401 1.940 10 0 EDAERN CCc1noc2ncc(C(=O)N3CCO[C@@H](c4nnc(C)[nH]4)C3)cc12 ZINC000173520585 230960771 /nfs/dbraw/zinc/96/07/71/230960771.db2.gz OZBNBMLGMOYOHI-CYBMUJFWSA-N 0 0 342.359 1.425 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1C ZINC000173689512 231006745 /nfs/dbraw/zinc/00/67/45/231006745.db2.gz GXTUHZWWPVXCOI-OAHLLOKOSA-N 0 0 327.388 1.697 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C)C(=O)C1 ZINC000152840164 529400202 /nfs/dbraw/zinc/40/02/02/529400202.db2.gz BDSWMWXROOYXOZ-CZUORRHYSA-N 0 0 331.416 1.132 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O ZINC000174023952 231101379 /nfs/dbraw/zinc/10/13/79/231101379.db2.gz LIJIEJDYMUAUDU-CYBMUJFWSA-N 0 0 330.363 1.863 10 0 EDAERN O=C(NCc1ccc(CO)c(F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000174519383 231229251 /nfs/dbraw/zinc/22/92/51/231229251.db2.gz HTDHZKVARSSAKC-CQSZACIVSA-N 0 0 333.367 1.456 10 0 EDAERN Cc1cc([C@](C)(O)CNC(=O)[C@@H](C)NC(=O)c2ccco2)c(C)o1 ZINC000174673356 231275437 /nfs/dbraw/zinc/27/54/37/231275437.db2.gz PDYLZNXGXWWZOO-PIGZYNQJSA-N 0 0 334.372 1.632 10 0 EDAERN Cc1ccccc1NC(=O)CCN1CCO[C@H](Cn2cccn2)C1 ZINC000174785068 231309979 /nfs/dbraw/zinc/30/99/79/231309979.db2.gz LNRSGQZOUMCDRM-INIZCTEOSA-N 0 0 328.416 1.921 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)n1 ZINC000174805147 231315170 /nfs/dbraw/zinc/31/51/70/231315170.db2.gz AXQYFLNODJQKLC-CJNGLKHVSA-N 0 0 344.415 1.571 10 0 EDAERN Cc1nnnn1-c1cccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000174939063 231349666 /nfs/dbraw/zinc/34/96/66/231349666.db2.gz BNBOXGHNLQCGSV-CQSZACIVSA-N 0 0 343.391 1.055 10 0 EDAERN CCc1ccc(-c2nc(CS(=O)(=O)C[C@H](O)CO)cs2)cc1 ZINC000177671613 529578017 /nfs/dbraw/zinc/57/80/17/529578017.db2.gz BMOMQPHYJMSWEY-CQSZACIVSA-N 0 0 341.454 1.641 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)s1 ZINC000190449872 529656863 /nfs/dbraw/zinc/65/68/63/529656863.db2.gz RCLYHHOCPZNQFD-LBPRGKRZSA-N 0 0 333.417 1.741 10 0 EDAERN COc1ccc(NC(=O)[C@H]2CCC(=O)N2S(C)(=O)=O)cc1Cl ZINC000049676815 214026887 /nfs/dbraw/zinc/02/68/87/214026887.db2.gz IKRKHDNQGWUBAB-SNVBAGLBSA-N 0 0 346.792 1.238 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccc(NC(C)=O)cc3)CCO2)[nH]1 ZINC000129155624 529700239 /nfs/dbraw/zinc/70/02/39/529700239.db2.gz YYGAHIRFDYBDLH-HNNXBMFYSA-N 0 0 329.404 1.899 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccccc2-c2nnc(C)o2)CC1 ZINC000164511436 529700829 /nfs/dbraw/zinc/70/08/29/529700829.db2.gz LAIXBAGVZJUCIN-AWEZNQCLSA-N 0 0 344.415 1.574 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccc(C)cc3)CCO2)[nH]1 ZINC000130041008 529701256 /nfs/dbraw/zinc/70/12/56/529701256.db2.gz BCHNMFRVJPRZAP-CQSZACIVSA-N 0 0 329.404 1.959 10 0 EDAERN COc1cc(CNS(=O)(=O)c2cc(N)ccc2Cl)ccn1 ZINC000062058288 214694836 /nfs/dbraw/zinc/69/48/36/214694836.db2.gz SZIWLHUMRJVAEI-UHFFFAOYSA-N 0 0 327.793 1.804 10 0 EDAERN CCc1nc(C2(NC(=O)Nc3ccc(C(N)=O)nc3)CCCC2)no1 ZINC000163749990 529730842 /nfs/dbraw/zinc/73/08/42/529730842.db2.gz IRZVMXACYASZJY-UHFFFAOYSA-N 0 0 344.375 1.717 10 0 EDAERN CCc1nc(S(N)(=O)=O)cn1[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000156719187 529744410 /nfs/dbraw/zinc/74/44/10/529744410.db2.gz QVLYFSUUTKWIDS-GWCFXTLKSA-N 0 0 331.463 1.320 10 0 EDAERN COc1ccc(NC(=O)c2ccc(OC)c(S(C)(=O)=O)c2)cn1 ZINC000062350786 214712339 /nfs/dbraw/zinc/71/23/39/214712339.db2.gz CWQHXXKBBZANSS-UHFFFAOYSA-N 0 0 336.369 1.755 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000163930964 529788695 /nfs/dbraw/zinc/78/86/95/529788695.db2.gz HOFNIRYQKLHFKD-CYBMUJFWSA-N 0 0 332.322 1.575 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(O)cc3)C2=O)n(C)n1 ZINC000177353080 231868271 /nfs/dbraw/zinc/86/82/71/231868271.db2.gz HJVWDKSIKTZHIW-OAHLLOKOSA-N 0 0 342.399 1.288 10 0 EDAERN COC[C@H](C)C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177402068 231882662 /nfs/dbraw/zinc/88/26/62/231882662.db2.gz FYFBLWWNBXLBNR-LKFCYVNXSA-N 0 0 332.322 1.805 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CC(=O)NCc2ccc(OC)cc2)C1 ZINC000101565324 219139760 /nfs/dbraw/zinc/13/97/60/219139760.db2.gz SIQUCNJKDCYFEE-INIZCTEOSA-N 0 0 347.459 1.692 10 0 EDAERN Cc1nc(Br)c(Br)n1C[C@H]([NH3+])C(=O)[O-] ZINC000725256100 539392630 /nfs/dbraw/zinc/39/26/30/539392630.db2.gz SXTUYWXHYQMJSL-BYPYZUCNSA-N 0 0 326.976 1.128 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000246020884 539414818 /nfs/dbraw/zinc/41/48/18/539414818.db2.gz NOBXSXNOFQRXNF-HUUCEWRRSA-N 0 0 327.450 1.555 10 0 EDAERN CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)cn1 ZINC000066383236 215037671 /nfs/dbraw/zinc/03/76/71/215037671.db2.gz LFJNOBSJRUSRJO-LSDHHAIUSA-N 0 0 330.363 1.853 10 0 EDAERN CCCCN(Cc1nnc(C2CC2)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066544067 215052784 /nfs/dbraw/zinc/05/27/84/215052784.db2.gz HFAYGKGFOAEELH-CYBMUJFWSA-N 0 0 326.466 1.482 10 0 EDAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000685940308 539578029 /nfs/dbraw/zinc/57/80/29/539578029.db2.gz CWONKXYEMZGHSE-KBPBESRZSA-N 0 0 336.436 1.392 10 0 EDAERN CC(=O)NC[C@H]1CCCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000067362489 215137400 /nfs/dbraw/zinc/13/74/00/215137400.db2.gz ZCFVTTRSGYVFEI-NVXWUHKLSA-N 0 0 339.480 1.548 10 0 EDAERN CCN(C[C@H](C)C(N)=S)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000042442395 213505395 /nfs/dbraw/zinc/50/53/95/213505395.db2.gz ICHKNECRKORKKS-JTQLQIEISA-N 0 0 328.459 1.474 10 0 EDAERN CC(C)Cc1ncc2c(n1)CN(c1cncc(C(=O)N(C)C)n1)C2 ZINC000067851887 215232232 /nfs/dbraw/zinc/23/22/32/215232232.db2.gz KEJYMNVQPYBLOX-UHFFFAOYSA-N 0 0 326.404 1.687 10 0 EDAERN COCCS(=O)(=O)N1CCC[C@@H]1Cc1ccc(OC)c(C)c1 ZINC000041337582 213440646 /nfs/dbraw/zinc/44/06/46/213440646.db2.gz VYICNSIPQROCLH-OAHLLOKOSA-N 0 0 327.446 1.987 10 0 EDAERN Cn1nc(C(=O)NC[C@H]2CCCO2)cc1-c1ccc2c(c1)OCO2 ZINC000041212552 213432989 /nfs/dbraw/zinc/43/29/89/213432989.db2.gz BMSSAGDRKSAKOO-GFCCVEGCSA-N 0 0 329.356 1.725 10 0 EDAERN COC(=O)[C@](C)(N)C[C@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000068643008 215323911 /nfs/dbraw/zinc/32/39/11/215323911.db2.gz UCNZZFYKOBWWPQ-IINYFYTJSA-N 0 0 331.459 1.851 10 0 EDAERN O=Cc1ccc(OCC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000127089501 222791955 /nfs/dbraw/zinc/79/19/55/222791955.db2.gz QSOAUFNRYOUDSS-OAHLLOKOSA-N 0 0 328.372 1.408 10 0 EDAERN Nc1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)ccc1Br ZINC000069140330 215363804 /nfs/dbraw/zinc/36/38/04/215363804.db2.gz NWVNVEYBAQLHJS-VIFPVBQESA-N 0 0 347.234 1.338 10 0 EDAERN O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000040624934 213361070 /nfs/dbraw/zinc/36/10/70/213361070.db2.gz XRKIZYUFZVEKTD-VXGBXAGGSA-N 0 0 349.330 1.343 10 0 EDAERN c1cnnc(N2CCCN(Cc3nnc(C4CC4)n3C3CC3)CC2)c1 ZINC000181270961 234137152 /nfs/dbraw/zinc/13/71/52/234137152.db2.gz UBSDLAACIYGEIA-UHFFFAOYSA-N 0 0 339.447 1.993 10 0 EDAERN Cn1nccc1C1CCN(CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000181653161 234270108 /nfs/dbraw/zinc/27/01/08/234270108.db2.gz SHEMKRYKZLSIKZ-UHFFFAOYSA-N 0 0 336.436 1.057 10 0 EDAERN Cc1c(C(=O)NCCC(=O)N2CCCC2)sc2ncn(C)c(=O)c12 ZINC000040466593 213308724 /nfs/dbraw/zinc/30/87/24/213308724.db2.gz YRVKEQFKSHCBCF-UHFFFAOYSA-N 0 0 348.428 1.046 10 0 EDAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000182407572 540132362 /nfs/dbraw/zinc/13/23/62/540132362.db2.gz KVPYTXPSTGVGEC-ZDUSSCGKSA-N 0 0 344.502 1.486 10 0 EDAERN O=C(CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)NCC1CC1 ZINC000183778292 235223121 /nfs/dbraw/zinc/22/31/21/235223121.db2.gz GFDAQEKKEGKZSR-IAGOWNOFSA-N 0 0 345.443 1.810 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000190132397 540168765 /nfs/dbraw/zinc/16/87/65/540168765.db2.gz RKOYMIMFHMKHQR-KGLIPLIRSA-N 0 0 346.391 1.978 10 0 EDAERN CN(C)S(=O)(=O)c1ccc(-n2cc(Br)cn2)c(N)c1 ZINC000038053955 213198294 /nfs/dbraw/zinc/19/82/94/213198294.db2.gz MYTDKHUOESXVOC-UHFFFAOYSA-N 0 0 345.222 1.467 10 0 EDAERN C[C@@H](CNC(=O)c1ccc(N2CCCCCC2)nc1)N1CCOCC1 ZINC000029964220 138097549 /nfs/dbraw/zinc/09/75/49/138097549.db2.gz JREFUCAOZSKWIR-INIZCTEOSA-N 0 0 346.475 1.913 10 0 EDAERN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000069099420 138197668 /nfs/dbraw/zinc/19/76/68/138197668.db2.gz DNHKQMCJNDKSBC-CHWSQXEVSA-N 0 0 348.424 1.979 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)N(C)C ZINC000072781121 138209799 /nfs/dbraw/zinc/20/97/99/138209799.db2.gz KBMXBVXTPYCVGT-CZUORRHYSA-N 0 0 333.432 1.378 10 0 EDAERN Cc1ccccc1[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000185462852 235672898 /nfs/dbraw/zinc/67/28/98/235672898.db2.gz QXEIEEVFJIDZQC-ZDUSSCGKSA-N 0 0 348.490 1.257 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1F ZINC000088233574 138272153 /nfs/dbraw/zinc/27/21/53/138272153.db2.gz ASSGKDSTILZSCN-GFCCVEGCSA-N 0 0 328.347 1.821 10 0 EDAERN O=C(NC1CCN(c2ccccn2)CC1)N[C@H]1CCCC[C@@H]1CO ZINC000081482021 138266667 /nfs/dbraw/zinc/26/66/67/138266667.db2.gz JJCXNCFCGNQXCW-ZBFHGGJFSA-N 0 0 332.448 1.901 10 0 EDAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081580730 138267015 /nfs/dbraw/zinc/26/70/15/138267015.db2.gz UMWHZTWHPGPIAZ-UONOGXRCSA-N 0 0 333.436 1.719 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000104899311 138300851 /nfs/dbraw/zinc/30/08/51/138300851.db2.gz UNMKJBKAIRVBFK-AWEZNQCLSA-N 0 0 336.436 1.856 10 0 EDAERN CC(C)CCNC(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806855 138301758 /nfs/dbraw/zinc/30/17/58/138301758.db2.gz JIUKAGHGDQPRQQ-OAHLLOKOSA-N 0 0 333.480 1.928 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)c1 ZINC000117987024 138312707 /nfs/dbraw/zinc/31/27/07/138312707.db2.gz FKYPDFVELNVAQQ-SFHVURJKSA-N 0 0 342.443 1.506 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nc(N)nc(N(C)C)n1 ZINC000106208571 138302882 /nfs/dbraw/zinc/30/28/82/138302882.db2.gz BAQXIVSBVOIVLP-LBPRGKRZSA-N 0 0 330.440 1.207 10 0 EDAERN O=C([C@H]1CNC(=O)C1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000109693072 138306209 /nfs/dbraw/zinc/30/62/09/138306209.db2.gz GEJGSVUYOCJVBR-CJNGLKHVSA-N 0 0 336.819 1.748 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3n[nH]c4ccccc43)CC2)no1 ZINC000109923868 138306678 /nfs/dbraw/zinc/30/66/78/138306678.db2.gz IGMFMUIUSAORIS-UHFFFAOYSA-N 0 0 340.387 1.602 10 0 EDAERN CO[C@@H](C(=O)N1CCCN(Cc2noc(C)n2)CC1)c1ccccc1 ZINC000110945924 138307569 /nfs/dbraw/zinc/30/75/69/138307569.db2.gz YIPOIVLLMOXQFA-QGZVFWFLSA-N 0 0 344.415 1.800 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOc1ccccc1OC)CC2 ZINC000114870621 138310783 /nfs/dbraw/zinc/31/07/83/138310783.db2.gz PNFVVOZKSHIVAU-CYBMUJFWSA-N 0 0 344.415 1.749 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CNC(=O)C(C)(C)C)C2)n1 ZINC000116782604 138312031 /nfs/dbraw/zinc/31/20/31/138312031.db2.gz INLANICEZIXDRE-CQSZACIVSA-N 0 0 335.452 1.296 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(OC)nc1C)CC2 ZINC000124167354 138324446 /nfs/dbraw/zinc/32/44/46/138324446.db2.gz GAEIWTLWRWCXAJ-LLVKDONJSA-N 0 0 330.392 1.689 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1)[C@H]1CCCO1 ZINC000125505102 138334614 /nfs/dbraw/zinc/33/46/14/138334614.db2.gz XFPHNYFGPGFIEJ-IUODEOHRSA-N 0 0 328.372 1.495 10 0 EDAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125568612 138334911 /nfs/dbraw/zinc/33/49/11/138334911.db2.gz HUQUITFQIMKHTB-UHFFFAOYSA-N 0 0 337.387 1.334 10 0 EDAERN CCCNC(=O)[C@@H](C)NC(=O)c1cc(Br)cn1CC ZINC000037844498 213169240 /nfs/dbraw/zinc/16/92/40/213169240.db2.gz RPZIRIGMQQYOIP-SECBINFHSA-N 0 0 330.226 1.915 10 0 EDAERN O=S1(=O)CC[C@@H](NCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000037389888 213143647 /nfs/dbraw/zinc/14/36/47/213143647.db2.gz UKNYLJNOPDZYRJ-LLVKDONJSA-N 0 0 327.793 1.667 10 0 EDAERN CCOc1ccc2[nH]c(S[C@H]3CS(=O)(=O)C[C@H]3O)nc2c1 ZINC000037487783 213149143 /nfs/dbraw/zinc/14/91/43/213149143.db2.gz WASBZBKWMIMXRX-NEPJUHHUSA-N 0 0 328.415 1.212 10 0 EDAERN Cc1[nH]nc2ncc(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)cc12 ZINC000133650436 138396596 /nfs/dbraw/zinc/39/65/96/138396596.db2.gz RLOGUVNORLYISZ-LBPRGKRZSA-N 0 0 339.403 1.726 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)CC2 ZINC000133872899 138399522 /nfs/dbraw/zinc/39/95/22/138399522.db2.gz PSWWDGMEBPHSAP-LLVKDONJSA-N 0 0 337.424 1.357 10 0 EDAERN C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1nnc2n1CCCC2 ZINC000135361102 138423447 /nfs/dbraw/zinc/42/34/47/138423447.db2.gz PWQHDCAXPFQTLU-NSHDSACASA-N 0 0 341.415 1.673 10 0 EDAERN CC(=O)Nc1nc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cs1 ZINC000135398420 138424013 /nfs/dbraw/zinc/42/40/13/138424013.db2.gz CJJUKDDJXPQALV-QMMMGPOBSA-N 0 0 334.405 1.520 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000106193282 219618952 /nfs/dbraw/zinc/61/89/52/219618952.db2.gz RPVKJXSOBGOIBY-HNNXBMFYSA-N 0 0 342.399 1.425 10 0 EDAERN COc1cc(Br)c([C@H](O)CS(C)(=O)=O)cc1OC ZINC000070131420 215676355 /nfs/dbraw/zinc/67/63/55/215676355.db2.gz FRUHOMRILIUISF-SECBINFHSA-N 0 0 339.207 1.544 10 0 EDAERN CC1(C)CN(S(=O)(=O)CCSc2ccc(N)cc2)CCO1 ZINC000070214423 215682943 /nfs/dbraw/zinc/68/29/43/215682943.db2.gz HEFIABQKUYOBPP-UHFFFAOYSA-N 0 0 330.475 1.802 10 0 EDAERN CCOC(=O)Cc1nc2ccc(N)cn2c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000036277663 213081024 /nfs/dbraw/zinc/08/10/24/213081024.db2.gz LQPQEOLZHQZKBD-BETUJISGSA-N 0 0 346.431 1.631 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3CCO[C@@H](C)C3)[nH]c(=O)n2)cc1 ZINC000036236793 213078523 /nfs/dbraw/zinc/07/85/23/213078523.db2.gz ASUVKLHTVKKDQZ-NSHDSACASA-N 0 0 329.356 1.306 10 0 EDAERN COc1ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)cc1 ZINC000036135589 213073328 /nfs/dbraw/zinc/07/33/28/213073328.db2.gz BPQGNDHDCXQZIE-UHFFFAOYSA-N 0 0 346.408 1.541 10 0 EDAERN CN1CCN(C(=O)[C@@H](NC(=O)c2cccnc2)c2ccccc2)CC1 ZINC000036109873 213070452 /nfs/dbraw/zinc/07/04/52/213070452.db2.gz KAAAIROAIAPXEK-KRWDZBQOSA-N 0 0 338.411 1.327 10 0 EDAERN O=C(N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccnc1 ZINC000036109778 213070643 /nfs/dbraw/zinc/07/06/43/213070643.db2.gz ZCLZYIRXCOWEEE-INIZCTEOSA-N 0 0 325.368 1.412 10 0 EDAERN CCOc1ccc(CC(=O)N2CCOC[C@@H]2c2nc(C)no2)cc1 ZINC000155409459 138537168 /nfs/dbraw/zinc/53/71/68/138537168.db2.gz ANFITMRFBVQGNH-OAHLLOKOSA-N 0 0 331.372 1.919 10 0 EDAERN CCS(=O)(=O)N1CC(CNC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000187498658 236227073 /nfs/dbraw/zinc/22/70/73/236227073.db2.gz SOVAQAMIYLYXOU-LBPRGKRZSA-N 0 0 337.445 1.429 10 0 EDAERN CCOC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000036091881 213062219 /nfs/dbraw/zinc/06/22/19/213062219.db2.gz CAALCPJXJVHIHL-AWEZNQCLSA-N 0 0 340.807 1.393 10 0 EDAERN O=S(=O)(C1=Cc2ccccc2OC1)N1CCC[C@H](n2cncn2)C1 ZINC000187917248 236341058 /nfs/dbraw/zinc/34/10/58/236341058.db2.gz RHIPHYFDLAPWMT-AWEZNQCLSA-N 0 0 346.412 1.678 10 0 EDAERN O=C(NC1CN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1)C1CC1 ZINC000187979355 236368907 /nfs/dbraw/zinc/36/89/07/236368907.db2.gz ZLTSVCUKFASKTJ-PKOBYXMFSA-N 0 0 344.455 1.652 10 0 EDAERN COc1ccc(S(=O)(=O)NC(C)(C)CO)cc1Br ZINC000035610533 213042973 /nfs/dbraw/zinc/04/29/73/213042973.db2.gz BGHKNXZMUPMCCO-UHFFFAOYSA-N 0 0 338.223 1.507 10 0 EDAERN Cn1nccc1C(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2)C1 ZINC000035526787 213035826 /nfs/dbraw/zinc/03/58/26/213035826.db2.gz IFJYYVCUFABJRW-IBGZPJMESA-N 0 0 340.427 1.979 10 0 EDAERN Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000127865611 138618038 /nfs/dbraw/zinc/61/80/38/138618038.db2.gz SYCCTHBWOKXWGG-ZDUSSCGKSA-N 0 0 344.864 1.744 10 0 EDAERN CCOC(=O)CCN(CCCNC(C)=O)C(=O)Cc1cccs1 ZINC000071619872 215789011 /nfs/dbraw/zinc/78/90/11/215789011.db2.gz NWABSUCRVSCOPE-UHFFFAOYSA-N 0 0 340.445 1.599 10 0 EDAERN COc1ccc(CN(C)C(=O)N[C@H]2CCCn3ncnc32)cc1O ZINC000176607494 138711210 /nfs/dbraw/zinc/71/12/10/138711210.db2.gz GFRKNFRQGYENPY-LBPRGKRZSA-N 0 0 331.376 1.669 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H](NC(=O)c1cccs1)C(C)C)C(C)C ZINC000178862679 138746752 /nfs/dbraw/zinc/74/67/52/138746752.db2.gz DONSIWUIIRFEQL-CHWSQXEVSA-N 0 0 339.461 1.389 10 0 EDAERN COC(=O)c1cccc(NC(=O)CN2CC(=O)Oc3ccccc32)c1 ZINC000031834822 212751850 /nfs/dbraw/zinc/75/18/50/212751850.db2.gz LURQTANVEWVQKI-UHFFFAOYSA-N 0 0 340.335 1.837 10 0 EDAERN NC(=O)c1cccc(C[C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)c1 ZINC000072156210 216045744 /nfs/dbraw/zinc/04/57/44/216045744.db2.gz UCLJBFVHDLWPSN-AWEZNQCLSA-N 0 0 349.394 1.533 10 0 EDAERN O=C(NC1CN(C(=O)NCCCn2ccc3ccccc32)C1)C1CC1 ZINC000189900384 237375441 /nfs/dbraw/zinc/37/54/41/237375441.db2.gz VQODVYKPPNHPSW-UHFFFAOYSA-N 0 0 340.427 1.951 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NCCc1nnc2n1CCCC2 ZINC000184121787 138791604 /nfs/dbraw/zinc/79/16/04/138791604.db2.gz OIFKOYNNYKMGCP-GFCCVEGCSA-N 0 0 337.424 1.044 10 0 EDAERN [NH3+][C@H](CCSCC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000037735541 213163836 /nfs/dbraw/zinc/16/38/36/213163836.db2.gz IDGWGDGRHQVIOU-SNVBAGLBSA-N 0 0 347.234 1.923 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N(C)CC(=O)NCC ZINC000037845902 213170088 /nfs/dbraw/zinc/17/00/88/213170088.db2.gz JOBPYDAWOIAMLD-UHFFFAOYSA-N 0 0 330.226 1.869 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)CCCC(=O)NC(C)C)C12CCOCC2 ZINC000186470379 138816908 /nfs/dbraw/zinc/81/69/08/138816908.db2.gz BRPUEJPHLVAVKC-GJZGRUSLSA-N 0 0 340.464 1.772 10 0 EDAERN CCSCc1cc(C(=O)N2CCOC[C@H]2c2nc(C)no2)no1 ZINC000186602667 138818197 /nfs/dbraw/zinc/81/81/97/138818197.db2.gz GLQINMYDGQAZAD-LBPRGKRZSA-N 0 0 338.389 1.833 10 0 EDAERN O=C(Nc1cc(F)ccc1F)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190768890 238722944 /nfs/dbraw/zinc/72/29/44/238722944.db2.gz VKRRXJHLPRYCHE-GFCCVEGCSA-N 0 0 334.326 1.791 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000190850124 238765754 /nfs/dbraw/zinc/76/57/54/238765754.db2.gz OFHPNSNCKSFXCJ-GDBMZVCRSA-N 0 0 334.416 1.481 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000073022675 216341102 /nfs/dbraw/zinc/34/11/02/216341102.db2.gz IHHYDEOJAMDVSA-INIZCTEOSA-N 0 0 334.416 1.681 10 0 EDAERN COc1cc(F)cc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188913668 138855726 /nfs/dbraw/zinc/85/57/26/138855726.db2.gz MBZPSMYBNRXNFL-UHFFFAOYSA-N 0 0 335.379 1.644 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cn1 ZINC000189098351 138861146 /nfs/dbraw/zinc/86/11/46/138861146.db2.gz UVZSXYMPEXCYTP-CQSZACIVSA-N 0 0 344.419 1.556 10 0 EDAERN C[C@H](CC(=O)N[C@@H]1CCCN(c2cccnn2)C1)N1CCCCC1=O ZINC000189040903 138859050 /nfs/dbraw/zinc/85/90/50/138859050.db2.gz DJPKCCIQZYMHLM-HUUCEWRRSA-N 0 0 345.447 1.353 10 0 EDAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N[C@H]1CCc2ncnn2C1 ZINC000132503207 223337353 /nfs/dbraw/zinc/33/73/53/223337353.db2.gz OZLBGRIOABYSBG-LBPRGKRZSA-N 0 0 326.360 1.299 10 0 EDAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189417304 138872172 /nfs/dbraw/zinc/87/21/72/138872172.db2.gz OVRFTPZNLXLHAL-UHFFFAOYSA-N 0 0 332.448 1.435 10 0 EDAERN COC(=O)/C(=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O ZINC000022062475 212274559 /nfs/dbraw/zinc/27/45/59/212274559.db2.gz VBOWSRTYMGLZOV-QPEQYQDCSA-N 0 0 335.312 1.187 10 0 in-vitro EDAERN O=C(NCCc1noc([C@@H]2CCCO2)n1)c1noc2c1CCCC2 ZINC000216159630 241170134 /nfs/dbraw/zinc/17/01/34/241170134.db2.gz PKIGLEGOMKYSIV-LBPRGKRZSA-N 0 0 332.360 1.760 10 0 EDAERN CC(C)NC(=O)CN1CCCN(Cc2ccccc2F)S1(=O)=O ZINC000021628955 212234763 /nfs/dbraw/zinc/23/47/63/212234763.db2.gz APFDYURVYJCZGW-UHFFFAOYSA-N 0 0 343.424 1.103 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075980819 216678798 /nfs/dbraw/zinc/67/87/98/216678798.db2.gz LDAOJYJRAVEOJB-DOMZBBRYSA-N 0 0 339.461 1.925 10 0 EDAERN CCCN1CCN(S(=O)(=O)c2ccc(C(N)=S)cc2)CC1 ZINC000021501075 212228343 /nfs/dbraw/zinc/22/83/43/212228343.db2.gz FSWPLBJYNUHCPO-UHFFFAOYSA-N 0 0 327.475 1.037 10 0 EDAERN COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)N1CCOCC1 ZINC000021033350 212202061 /nfs/dbraw/zinc/20/20/61/212202061.db2.gz LCTXCGGFRZXHOP-UHFFFAOYSA-N 0 0 338.385 1.680 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000191200923 138907560 /nfs/dbraw/zinc/90/75/60/138907560.db2.gz INGIVGGZKMPACT-CYBMUJFWSA-N 0 0 344.415 1.233 10 0 EDAERN CC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1 ZINC000020467591 212134171 /nfs/dbraw/zinc/13/41/71/212134171.db2.gz ATQNBPSHYLXBCS-UHFFFAOYSA-N 0 0 334.239 1.847 10 0 EDAERN CC(C)(C)NC(=O)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000019966825 212091683 /nfs/dbraw/zinc/09/16/83/212091683.db2.gz QIXCXVWEGKGULS-UHFFFAOYSA-N 0 0 339.189 1.893 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(OCC(C)C)cc1 ZINC000193182644 138963165 /nfs/dbraw/zinc/96/31/65/138963165.db2.gz AGOPZQZGAFHWDW-SJLPKXTDSA-N 0 0 348.443 1.362 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000195220964 139010548 /nfs/dbraw/zinc/01/05/48/139010548.db2.gz CPPFEVAPAQMZKR-CABCVRRESA-N 0 0 338.429 1.259 10 0 EDAERN O=C(NCc1cscn1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000195338130 139014840 /nfs/dbraw/zinc/01/48/40/139014840.db2.gz DUQJBDGIMYNKHN-LBPRGKRZSA-N 0 0 337.426 1.861 10 0 EDAERN Cc1nc2ccccc2nc1CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195426082 139016247 /nfs/dbraw/zinc/01/62/47/139016247.db2.gz IEMKVNRZEMFWKS-UHFFFAOYSA-N 0 0 346.416 1.621 10 0 EDAERN Cc1ccc(C2(C(=O)NC[C@H]3CN(C)CCO3)CCOCC2)cc1 ZINC000110673413 220053761 /nfs/dbraw/zinc/05/37/61/220053761.db2.gz BIFPWXBELYPCHW-KRWDZBQOSA-N 0 0 332.444 1.490 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110874354 220073411 /nfs/dbraw/zinc/07/34/11/220073411.db2.gz DQZXXEIWKOKJHJ-LLVKDONJSA-N 0 0 334.401 1.276 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)CCCNC(=O)C3CC3)CCO2)n1 ZINC000110898801 220076427 /nfs/dbraw/zinc/07/64/27/220076427.db2.gz CUBFQBBWSKSTRY-MRXNPFEDSA-N 0 0 348.447 1.034 10 0 EDAERN O=C(c1cc(-c2ccco2)on1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111081717 220097932 /nfs/dbraw/zinc/09/79/32/220097932.db2.gz HMUUAZFZZRAJRB-GFCCVEGCSA-N 0 0 328.328 1.672 10 0 EDAERN Cc1ccc(OCC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1C ZINC000111087931 220098656 /nfs/dbraw/zinc/09/86/56/220098656.db2.gz WCQLUCRYBJPVHU-KRWDZBQOSA-N 0 0 329.400 1.806 10 0 EDAERN COc1cccc(OCC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111086320 220099058 /nfs/dbraw/zinc/09/90/58/220099058.db2.gz ILVKOPUGJJOGSY-MRXNPFEDSA-N 0 0 331.372 1.198 10 0 EDAERN CN(Cc1nnc(C2CC2)n1C)C[C@@H](O)COCc1ccccc1 ZINC000080646088 217321831 /nfs/dbraw/zinc/32/18/31/217321831.db2.gz DFNBCJHSFNFOBG-MRXNPFEDSA-N 0 0 330.432 1.702 10 0 EDAERN COc1ccc([C@H](C)C(=O)NCc2cccc(OCC(N)=O)c2)cc1 ZINC000080963715 217344885 /nfs/dbraw/zinc/34/48/85/217344885.db2.gz DKNVCZZZOKQGTK-ZDUSSCGKSA-N 0 0 342.395 1.979 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)CCSc2n[nH]c(C)n2)C1 ZINC000081027234 217354039 /nfs/dbraw/zinc/35/40/39/217354039.db2.gz NHZNLMSJBQXEAO-LBPRGKRZSA-N 0 0 339.465 1.503 10 0 EDAERN COCCSc1nnc(CCNC(=O)c2sccc2C)n1C ZINC000014981570 211783154 /nfs/dbraw/zinc/78/31/54/211783154.db2.gz ZIGKOUOSQAKASW-UHFFFAOYSA-N 0 0 340.474 1.896 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000245452766 139075445 /nfs/dbraw/zinc/07/54/45/139075445.db2.gz DWHHPQLMDXMQRD-MGPQQGTHSA-N 0 0 348.447 1.812 10 0 EDAERN COCc1ccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000112064469 220237373 /nfs/dbraw/zinc/23/73/73/220237373.db2.gz JVLYWUJZVBHDAO-KRWDZBQOSA-N 0 0 329.400 1.879 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc4c(s3)CCOC4)CCO2)c1 ZINC000112069058 220239687 /nfs/dbraw/zinc/23/96/87/220239687.db2.gz AJSWBOWRUBCWOZ-AWEZNQCLSA-N 0 0 347.440 1.867 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Cc3cccc(O)c3)CC2)n1 ZINC000112117317 220245614 /nfs/dbraw/zinc/24/56/14/220245614.db2.gz CNQCUFQVRWADRB-CYBMUJFWSA-N 0 0 344.415 1.786 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCO[C@@H]2C)cc(S(N)(=O)=O)c1Cl ZINC000138543698 223705762 /nfs/dbraw/zinc/70/57/62/223705762.db2.gz ATDGVWLURFZLGH-SCZZXKLOSA-N 0 0 332.809 1.203 10 0 EDAERN C[C@H](CCc1cccn1C)NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246159832 139097223 /nfs/dbraw/zinc/09/72/23/139097223.db2.gz QIGLYWNNSUQCSB-JFIYKMOQSA-N 0 0 348.491 1.708 10 0 EDAERN CCOc1ccccc1NC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246590946 139114213 /nfs/dbraw/zinc/11/42/13/139114213.db2.gz WSRZSZBBFHIUMG-WBVHZDCISA-N 0 0 347.459 1.676 10 0 EDAERN C[C@@H](c1nc(-c2cccnc2)no1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246767845 139120859 /nfs/dbraw/zinc/12/08/59/139120859.db2.gz OHTQZTRHFSUWMP-DZGCQCFKSA-N 0 0 340.387 1.790 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000246781886 139121349 /nfs/dbraw/zinc/12/13/49/139121349.db2.gz PYLWBSGIRXMSLM-KGLIPLIRSA-N 0 0 330.428 1.272 10 0 EDAERN COCCOCC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246842848 139123925 /nfs/dbraw/zinc/12/39/25/139123925.db2.gz LINGWDCJFPRTNH-ZIAGYGMSSA-N 0 0 342.461 1.289 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](COC)c1ccco1 ZINC000087250764 217721038 /nfs/dbraw/zinc/72/10/38/217721038.db2.gz QIQYJOOKJKUOQE-RYUDHWBXSA-N 0 0 333.392 1.955 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000246943450 139127967 /nfs/dbraw/zinc/12/79/67/139127967.db2.gz CHRFKLVCEBZDSZ-HNNXBMFYSA-N 0 0 335.514 1.396 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)NCc3ccccc3C)CCO2)[nH]1 ZINC000246969751 139128985 /nfs/dbraw/zinc/12/89/85/139128985.db2.gz LSUNXVZVETYPQO-CZUORRHYSA-N 0 0 343.431 1.500 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1c(F)cccc1F ZINC000088817141 217770606 /nfs/dbraw/zinc/77/06/06/217770606.db2.gz VRZCAVPSHTWRHG-LLVKDONJSA-N 0 0 349.341 1.709 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)c2cnccn2)c2cccs2)CCO1 ZINC000247110454 139136042 /nfs/dbraw/zinc/13/60/42/139136042.db2.gz WSWYNAVSGDKQIY-TZMCWYRMSA-N 0 0 332.429 1.730 10 0 EDAERN C[C@H](C(=O)NCc1ccccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000247194998 139139926 /nfs/dbraw/zinc/13/99/26/139139926.db2.gz TWSAHXYPSHBMMJ-GDBMZVCRSA-N 0 0 335.423 1.237 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000247206904 139140552 /nfs/dbraw/zinc/14/05/52/139140552.db2.gz LUOHHGRFUPTMSM-OWCLPIDISA-N 0 0 335.492 1.966 10 0 EDAERN Cc1cnn(C[C@@H]2CN([C@@H](C(=O)N(C)C)c3ccccc3)CCO2)c1 ZINC000247245152 139142089 /nfs/dbraw/zinc/14/20/89/139142089.db2.gz SQVGRKQWJQEOJV-ZWKOTPCHSA-N 0 0 342.443 1.722 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)C(C)C ZINC000247520062 139151174 /nfs/dbraw/zinc/15/11/74/139151174.db2.gz ZBHAMTLHYVQJRN-INMHGKMJSA-N 0 0 340.464 1.580 10 0 EDAERN C[C@H](O)C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000247675552 139153768 /nfs/dbraw/zinc/15/37/68/139153768.db2.gz RGIOBOFFEREJFP-IMJJTQAJSA-N 0 0 343.431 1.447 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000091784304 218066095 /nfs/dbraw/zinc/06/60/95/218066095.db2.gz XWUBNPFBTNQPAY-GFCCVEGCSA-N 0 0 338.816 1.810 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCCc1csc2ccccc12 ZINC000091785210 218066168 /nfs/dbraw/zinc/06/61/68/218066168.db2.gz HBURBKWZHBQNBF-AWEZNQCLSA-N 0 0 332.425 1.937 10 0 EDAERN COc1c(CN2CCN(C(=O)c3ccccc3O)CC2)c(C)nn1C ZINC000091924265 218089413 /nfs/dbraw/zinc/08/94/13/218089413.db2.gz ALULQNHSDHSACX-UHFFFAOYSA-N 0 0 344.415 1.401 10 0 EDAERN CCOC(=O)N1CCc2nc(NC(=O)C3=COCCO3)sc2C1 ZINC000010694307 211186559 /nfs/dbraw/zinc/18/65/59/211186559.db2.gz JDHBONNLSKDFME-UHFFFAOYSA-N 0 0 339.373 1.484 10 0 EDAERN Cc1ccc(S(=O)(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000095090158 218280274 /nfs/dbraw/zinc/28/02/74/218280274.db2.gz QWZVZZOQPRHIFD-LBPRGKRZSA-N 0 0 341.433 1.958 10 0 EDAERN CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000253352623 139206026 /nfs/dbraw/zinc/20/60/26/139206026.db2.gz PRLOGHWCNDWBKV-YSVLISHTSA-N 0 0 348.443 1.870 10 0 EDAERN COCC[C@](C)(O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000253548391 139206853 /nfs/dbraw/zinc/20/68/53/139206853.db2.gz HIWSSFQQMDOYDP-AYBZRNKSSA-N 0 0 348.443 1.500 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CCNC[C@H]3c3cccnc3)c2)n[nH]1 ZINC000261892083 139234508 /nfs/dbraw/zinc/23/45/08/139234508.db2.gz ZVQIRFQPPYGBML-KRWDZBQOSA-N 0 0 348.410 1.962 10 0 EDAERN O=C(c1occc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000176186604 296310304 /nfs/dbraw/zinc/31/03/04/296310304.db2.gz AOBINQJNEXTNML-JTQLQIEISA-N 0 0 329.194 1.589 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCN(C(=S)NC(C)C)CC2)cc1 ZINC000007637766 210823839 /nfs/dbraw/zinc/82/38/39/210823839.db2.gz CGXVHRXSEIUVNX-UHFFFAOYSA-N 0 0 341.502 1.584 10 0 EDAERN CC(C)CN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]2C1=O ZINC000096080729 218580127 /nfs/dbraw/zinc/58/01/27/218580127.db2.gz ORFNZDPITBCTFD-CVEARBPZSA-N 0 0 336.457 1.563 10 0 EDAERN CN[C@@H](C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 ZINC000262195221 139259073 /nfs/dbraw/zinc/25/90/73/139259073.db2.gz MMGWVBCCXWCFKA-IAGOWNOFSA-N 0 0 344.459 1.828 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c2c(n1)onc2C(C)C ZINC000172002795 291777539 /nfs/dbraw/zinc/77/75/39/291777539.db2.gz VAFMKGRLPIRDSW-NSHDSACASA-N 0 0 340.387 1.991 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)co1 ZINC000153281895 224083379 /nfs/dbraw/zinc/08/33/79/224083379.db2.gz QZFAJTJFQSDPSY-CYBMUJFWSA-N 0 0 338.360 1.874 10 0 EDAERN COC(=O)CCCN1CCC([NH2+]C[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000263077770 139321113 /nfs/dbraw/zinc/32/11/13/139321113.db2.gz QZISIMDIBGQVSO-AWEZNQCLSA-N 0 0 328.453 1.741 10 0 EDAERN COC1(c2nsc(I)n2)CCOCC1 ZINC000166097249 533030250 /nfs/dbraw/zinc/03/02/50/533030250.db2.gz IDWNLAKHHLDDDD-UHFFFAOYSA-N 0 0 326.159 1.795 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc2c(s1)CCSC2 ZINC000168929876 533040371 /nfs/dbraw/zinc/04/03/71/533040371.db2.gz JTHPUYMJOZJZGO-ZJUUUORDSA-N 0 0 327.427 1.286 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C)c(O)c2)ncn1 ZINC000181136791 533047989 /nfs/dbraw/zinc/04/79/89/533047989.db2.gz WOQMDWUCYQICHX-CQSZACIVSA-N 0 0 341.415 1.931 10 0 EDAERN COCCS(=O)(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000112366241 220314899 /nfs/dbraw/zinc/31/48/99/220314899.db2.gz TXWYUMOIPARXDH-UHFFFAOYSA-N 0 0 339.417 1.234 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)NC[C@H]1C[C@H]1C ZINC000160045313 533087417 /nfs/dbraw/zinc/08/74/17/533087417.db2.gz XEBLBHOZBPGBFA-HTQZYQBOSA-N 0 0 334.239 1.820 10 0 EDAERN CSc1nc(C(=O)N[C@H]2CCc3ncnn3C2)c2ccccn21 ZINC000112646796 220362016 /nfs/dbraw/zinc/36/20/16/220362016.db2.gz BSJZXSMKKDHSIN-JTQLQIEISA-N 0 0 328.401 1.393 10 0 EDAERN O=C(NCC1(c2ccc(F)cc2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000112744251 220393937 /nfs/dbraw/zinc/39/39/37/220393937.db2.gz QMPUTEWNHKLZBQ-AWEZNQCLSA-N 0 0 329.379 1.763 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCn1c2ccccc2n(C)c1=O ZINC000187633503 533123107 /nfs/dbraw/zinc/12/31/07/533123107.db2.gz WBHJVOASBNRMDW-GOSISDBHSA-N 0 0 345.399 1.284 10 0 EDAERN CC[C@@H](C)CS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000113291809 220515041 /nfs/dbraw/zinc/51/50/41/220515041.db2.gz XGZFJUNVRIFWJS-DOMZBBRYSA-N 0 0 329.466 1.577 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)N3CCN4CCCC[C@@H]4C3)ccc2o1 ZINC000045816015 285222435 /nfs/dbraw/zinc/22/24/35/285222435.db2.gz MMFHWOHFBJSMEY-CQSZACIVSA-N 0 0 348.424 1.652 10 0 EDAERN O=C(N1CCO[C@@H](Cn2cccn2)C1)C1(c2cccc(F)c2)CC1 ZINC000115380473 220840046 /nfs/dbraw/zinc/84/00/46/220840046.db2.gz HTOLJNOHGYXQIF-MRXNPFEDSA-N 0 0 329.375 1.981 10 0 EDAERN COC(=O)C1(CNC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000187914701 533209659 /nfs/dbraw/zinc/20/96/59/533209659.db2.gz FLRMKGUVFQABDU-OAHLLOKOSA-N 0 0 346.427 1.819 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(C)cc1 ZINC000116207543 220941661 /nfs/dbraw/zinc/94/16/61/220941661.db2.gz SXJMZSTZIRXTKW-MRXNPFEDSA-N 0 0 338.473 1.858 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1C ZINC000117370124 221058244 /nfs/dbraw/zinc/05/82/44/221058244.db2.gz XDKHKZWBFNKARM-NSHDSACASA-N 0 0 333.841 1.076 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)CC2CCCCC2)CCN1CCOC ZINC000117372051 221058963 /nfs/dbraw/zinc/05/89/63/221058963.db2.gz PBXWGXIDVVAFGS-INIZCTEOSA-N 0 0 332.510 1.939 10 0 EDAERN COCCN1CCN(C(=O)c2c(Cl)nc3ccccn32)C[C@@H]1C ZINC000117287157 221044288 /nfs/dbraw/zinc/04/42/88/221044288.db2.gz CQOVVLOLAKTEHV-LBPRGKRZSA-N 0 0 336.823 1.780 10 0 EDAERN COCCN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@@H]1C ZINC000117286058 221044305 /nfs/dbraw/zinc/04/43/05/221044305.db2.gz IKNQWPLPOMZLJZ-HNNXBMFYSA-N 0 0 343.431 1.119 10 0 EDAERN CCNC(=O)COc1ccc(NC(=O)NCCn2cc(C)cn2)cc1 ZINC000118010978 221105364 /nfs/dbraw/zinc/10/53/64/221105364.db2.gz KKHCWMLTHHNNEJ-UHFFFAOYSA-N 0 0 345.403 1.528 10 0 EDAERN Cc1cnn(CCNC(=O)CSCC(=O)Nc2ccc(C)cc2)c1 ZINC000117815774 221093113 /nfs/dbraw/zinc/09/31/13/221093113.db2.gz ZKVURFNWCHZXFI-UHFFFAOYSA-N 0 0 346.456 1.988 10 0 EDAERN COC[C@H](C)S(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000117924781 221100068 /nfs/dbraw/zinc/10/00/68/221100068.db2.gz DKTZUOIYBVQPBO-LBPRGKRZSA-N 0 0 347.506 1.324 10 0 EDAERN Cc1cnn(CCNC(=O)NCCN2c3ccccc3C[C@H]2C)c1 ZINC000118067109 221111868 /nfs/dbraw/zinc/11/18/68/221111868.db2.gz KGIOLCCCDIWCCK-OAHLLOKOSA-N 0 0 327.432 1.942 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(Cc3ccncc3)CC2)c1 ZINC000118080895 221113048 /nfs/dbraw/zinc/11/30/48/221113048.db2.gz BUBNDUKKWWVCFL-UHFFFAOYSA-N 0 0 328.420 1.114 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000118115173 221119411 /nfs/dbraw/zinc/11/94/11/221119411.db2.gz KNKQGHPLKCYZPF-SNVBAGLBSA-N 0 0 346.214 1.379 10 0 EDAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000118115913 221121936 /nfs/dbraw/zinc/12/19/36/221121936.db2.gz QBRSNTPBLFWNSQ-LLVKDONJSA-N 0 0 325.796 1.034 10 0 EDAERN O=C(Nc1cccnc1-n1cncn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119155237 221254516 /nfs/dbraw/zinc/25/45/16/221254516.db2.gz ZZNAELCJYYITJS-GUYCJALGSA-N 0 0 342.403 1.821 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000119481339 221331228 /nfs/dbraw/zinc/33/12/28/221331228.db2.gz SJMKVWXWSSYVEC-UHFFFAOYSA-N 0 0 327.388 1.464 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(Cl)c1F ZINC000119606656 221359192 /nfs/dbraw/zinc/35/91/92/221359192.db2.gz PKJWVPIESDZHHX-JTQLQIEISA-N 0 0 331.775 1.294 10 0 EDAERN Cn1cccc1C(=O)N1CC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000248162461 257662063 /nfs/dbraw/zinc/66/20/63/257662063.db2.gz YHBMHASWBLXBEY-RDTXWAMCSA-N 0 0 327.384 1.873 10 0 EDAERN O=C(c1cccnc1)N1CCO[C@H]2[C@H]1CC[C@@H]2Oc1ccccn1 ZINC000247892322 257674940 /nfs/dbraw/zinc/67/49/40/257674940.db2.gz YTZWDNHLHWNBHF-VYDXJSESSA-N 0 0 325.368 1.928 10 0 EDAERN O=C(NC[C@@]12COC[C@@H]1CN(c1ncccn1)C2)c1ccsc1 ZINC000247472733 257682598 /nfs/dbraw/zinc/68/25/98/257682598.db2.gz FZGHUBJTRHDCRA-XJKSGUPXSA-N 0 0 330.413 1.421 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1cccc(F)c1 ZINC000154735887 533283363 /nfs/dbraw/zinc/28/33/63/533283363.db2.gz PKRJNSDJJHXLDU-AWEZNQCLSA-N 0 0 347.394 1.940 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(OC)c(F)c1 ZINC000154970482 533283829 /nfs/dbraw/zinc/28/38/29/533283829.db2.gz PBQPOLUOOMUYBH-ZDUSSCGKSA-N 0 0 348.378 1.766 10 0 EDAERN C[C@@H](C(=O)N[C@@H]1CCCn2ncnc21)n1nnc(-c2ccccc2)n1 ZINC000177543665 533298617 /nfs/dbraw/zinc/29/86/17/533298617.db2.gz MMUCZULETJXMQM-WCQYABFASA-N 0 0 338.375 1.144 10 0 EDAERN COc1ccc(CCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000173803205 533456605 /nfs/dbraw/zinc/45/66/05/533456605.db2.gz MSORDJUOJCYFMH-YJBOKZPZSA-N 0 0 332.444 1.807 10 0 EDAERN CS(=O)(=O)[C@H]1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2N)C1 ZINC000165509621 533435093 /nfs/dbraw/zinc/43/50/93/533435093.db2.gz KDXZSPUOTZQFKA-WDEREUQCSA-N 0 0 335.422 1.537 10 0 EDAERN COc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc(OC)c1C ZINC000173854866 533528248 /nfs/dbraw/zinc/52/82/48/533528248.db2.gz TYTYIRYJGKIVDD-BBRMVZONSA-N 0 0 348.443 1.805 10 0 EDAERN C[C@@H](CC1CC1)NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000183638362 533504873 /nfs/dbraw/zinc/50/48/73/533504873.db2.gz ISMONMUGEQJWJF-NSHDSACASA-N 0 0 334.441 1.989 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000171393942 533546212 /nfs/dbraw/zinc/54/62/12/533546212.db2.gz SOUQIMGGFQDYAS-GJZGRUSLSA-N 0 0 329.356 1.306 10 0 EDAERN CC(=O)N1CCN(c2ccc(NS(=O)(=O)NC(C)C)cc2)CC1 ZINC000062211797 132435463 /nfs/dbraw/zinc/43/54/63/132435463.db2.gz GAJRRAKQTRWZCG-UHFFFAOYSA-N 0 0 340.449 1.010 10 0 EDAERN O=C(c1cnc2n(c1=O)CCS2)N1CCC[C@@H](n2cccn2)C1 ZINC000328691168 140670668 /nfs/dbraw/zinc/67/06/68/140670668.db2.gz IQOPQTBVNWXURR-LLVKDONJSA-N 0 0 331.401 1.023 10 0 EDAERN C[C@H](CC(=O)N1CCC[C@H](Cn2ccnn2)C1)N1CCCCC1=O ZINC000328774466 140674522 /nfs/dbraw/zinc/67/45/22/140674522.db2.gz SAZLNFAXEUHPMZ-CABCVRRESA-N 0 0 333.436 1.308 10 0 EDAERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCC[C@](F)(CO)C1 ZINC000329245457 140702815 /nfs/dbraw/zinc/70/28/15/140702815.db2.gz QNOUJLRZFBYNON-SWLSCSKDSA-N 0 0 326.372 1.600 10 0 EDAERN O=C(c1cn([C@H]2CCOC2)nn1)N1CCc2c(F)cc(F)cc2C1 ZINC000330075058 140800089 /nfs/dbraw/zinc/80/00/89/140800089.db2.gz GCKYRZCFMPVIKW-LBPRGKRZSA-N 0 0 334.326 1.716 10 0 EDAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCC(Cc2nccn2C)CC1 ZINC000333163428 141274316 /nfs/dbraw/zinc/27/43/16/141274316.db2.gz ISHYKMHISZHVOF-CQSZACIVSA-N 0 0 340.493 1.794 10 0 EDAERN Cn1ccnc(N2CCC[C@H](Nc3cnc4c(n3)CCCC4)C2)c1=O ZINC000333466931 141321885 /nfs/dbraw/zinc/32/18/85/141321885.db2.gz CXZGSKBYVAXAEB-ZDUSSCGKSA-N 0 0 340.431 1.530 10 0 EDAERN O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(O)cc2)CC1 ZINC000333524629 141331612 /nfs/dbraw/zinc/33/16/12/141331612.db2.gz WVHSZWCYAQNFDU-CYBMUJFWSA-N 0 0 338.429 1.558 10 0 EDAERN CCNC(=O)C1(CNC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)CCC1 ZINC000333604011 141343785 /nfs/dbraw/zinc/34/37/85/141343785.db2.gz MXYMCMGVLIFOHO-RDTXWAMCSA-N 0 0 337.464 1.892 10 0 EDAERN O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000371812360 156116627 /nfs/dbraw/zinc/11/66/27/156116627.db2.gz FLGCRMKZFSMWEO-GOSISDBHSA-N 0 0 340.427 1.478 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(N(C)C)nc2)C12CCOCC2 ZINC000187028620 286535892 /nfs/dbraw/zinc/53/58/92/286535892.db2.gz SMVHHGZAJNYVPW-GJZGRUSLSA-N 0 0 333.432 1.852 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)NC(=O)C2CCCCC2)C1 ZINC000066317641 287242819 /nfs/dbraw/zinc/24/28/19/287242819.db2.gz SOVSMDNMTACRMK-CZUORRHYSA-N 0 0 337.464 1.589 10 0 EDAERN O=S1(=O)CCCC[C@@H]1c1nnc(I)o1 ZINC000157931827 224917239 /nfs/dbraw/zinc/91/72/39/224917239.db2.gz INQRBDWXCDCWOU-RXMQYKEDSA-N 0 0 328.131 1.314 10 0 EDAERN Cc1cc(CO)cc(S(=O)(=O)N[C@@H]2C[C@H]2C)c1Br ZINC000158611026 225052814 /nfs/dbraw/zinc/05/28/14/225052814.db2.gz FNVVDORCISVOCB-GMSGAONNSA-N 0 0 334.235 1.937 10 0 EDAERN Cc1nn(C)c(C[C@H](NN)c2snnc2C)c1Br ZINC000158394568 225006459 /nfs/dbraw/zinc/00/64/59/225006459.db2.gz IIKCLPNECUEGIC-ZETCQYMHSA-N 0 0 331.243 1.398 10 0 EDAERN CCn1ncc(Br)c1[C@@H](O)C(C)(C)S(C)(=O)=O ZINC000158776539 225083181 /nfs/dbraw/zinc/08/31/81/225083181.db2.gz ULRZFWRFTADCGY-SECBINFHSA-N 0 0 325.228 1.522 10 0 EDAERN C[C@H]1CN(C(=O)c2sc(N3CCOCC3)nc2N)CCS1 ZINC000163771999 226015474 /nfs/dbraw/zinc/01/54/74/226015474.db2.gz FSCLGMDKIIAXMQ-VIFPVBQESA-N 0 0 328.463 1.139 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000163988702 226036121 /nfs/dbraw/zinc/03/61/21/226036121.db2.gz ALVPANSJSLFNOQ-NWDGAFQWSA-N 0 0 329.422 1.230 10 0 EDAERN COCCn1ncc(Br)c1C(=O)[C@H]1CSCCN1 ZINC000164670915 226092231 /nfs/dbraw/zinc/09/22/31/226092231.db2.gz GIPKJRCASHAMPS-SECBINFHSA-N 0 0 334.239 1.180 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cc(N)c1Cl ZINC000164768291 226096802 /nfs/dbraw/zinc/09/68/02/226096802.db2.gz GEXPZPCPYQKTDZ-SECBINFHSA-N 0 0 331.825 1.130 10 0 EDAERN Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]2CO)cc(N)c1Cl ZINC000164776816 226097932 /nfs/dbraw/zinc/09/79/32/226097932.db2.gz BBGKAGQTDDNORZ-QWRGUYRKSA-N 0 0 332.853 1.918 10 0 EDAERN C[C@H]1CN(S(=O)(=O)N2CCOc3ccc(F)cc32)C[C@H](C)O1 ZINC000123945471 287392346 /nfs/dbraw/zinc/39/23/46/287392346.db2.gz RKXWVRGDRWQZJQ-QWRGUYRKSA-N 0 0 330.381 1.379 10 0 EDAERN Cc1c(N)cnc(N2CCC(CC(N)=O)CC2)c1Br ZINC000165508491 226126020 /nfs/dbraw/zinc/12/60/20/226126020.db2.gz YCGLUDVOWIYCML-UHFFFAOYSA-N 0 0 327.226 1.827 10 0 EDAERN O=S1(=O)C[C@@H](O)[C@H](Oc2cc(Br)ccc2F)C1 ZINC000165530846 226127972 /nfs/dbraw/zinc/12/79/72/226127972.db2.gz SJUJABNOWZHEKJ-PSASIEDQSA-N 0 0 325.155 1.125 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)CCN1C ZINC000165951890 226141446 /nfs/dbraw/zinc/14/14/46/226141446.db2.gz QSYPONIWUJTNMS-MRVPVSSYSA-N 0 0 338.260 1.900 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N2CCS(=O)CC2)c1Cl ZINC000165927602 226142920 /nfs/dbraw/zinc/14/29/20/226142920.db2.gz MLAVTBJEBFEYCK-UHFFFAOYSA-N 0 0 343.257 1.329 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000166236282 226153697 /nfs/dbraw/zinc/15/36/97/226153697.db2.gz UTQYGUJAAWBARB-CMPLNLGQSA-N 0 0 328.459 1.333 10 0 EDAERN O=C(c1cccc(Br)c1Cl)N1CCO[C@H](CO)C1 ZINC000166852388 226171969 /nfs/dbraw/zinc/17/19/69/226171969.db2.gz FSAHSOBKVNFMKD-QMMMGPOBSA-N 0 0 334.597 1.936 10 0 EDAERN Cc1nn(C)c(Cn2cnc(CNC(C)C)n2)c1Br ZINC000167569684 226193796 /nfs/dbraw/zinc/19/37/96/226193796.db2.gz RMDSGMDIXRULRD-UHFFFAOYSA-N 0 0 327.230 1.629 10 0 EDAERN Cc1cc(Br)cc(N)c1NC(=O)[C@@H](C)S(C)(=O)=O ZINC000167833650 226200571 /nfs/dbraw/zinc/20/05/71/226200571.db2.gz NDIWUEKEWAPUAT-SSDOTTSWSA-N 0 0 335.223 1.711 10 0 EDAERN O=S1(=O)CCCC[C@@H]1c1nc(I)no1 ZINC000167890638 226202266 /nfs/dbraw/zinc/20/22/66/226202266.db2.gz QPDZLHJCDQXAMH-RXMQYKEDSA-N 0 0 328.131 1.314 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000167870767 226202581 /nfs/dbraw/zinc/20/25/81/226202581.db2.gz NPUIRVVLGCSLEZ-SWHYSGLUSA-N 0 0 342.233 1.834 10 0 EDAERN O=C(CCOc1ccc(Br)cc1)N1CCOC[C@@H]1CO ZINC000168626396 226219126 /nfs/dbraw/zinc/21/91/26/226219126.db2.gz BMMIXVBXPIOOCQ-LBPRGKRZSA-N 0 0 344.205 1.438 10 0 EDAERN Cc1ccc(/C=C/C(=O)N2CCOC[C@@H]2CO)c(Br)c1 ZINC000168574037 226219159 /nfs/dbraw/zinc/21/91/59/226219159.db2.gz FODRMEBKDZOCRP-IHVVCDCBSA-N 0 0 340.217 1.990 10 0 EDAERN C[C@H]1C(=O)N[C@@H](C2CC2)C(=O)N1Cc1cncc(Br)c1 ZINC000168898550 226226423 /nfs/dbraw/zinc/22/64/23/226226423.db2.gz JPVDDLHOJMFBGW-UFBFGSQYSA-N 0 0 338.205 1.470 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C)nc3)C2)c1 ZINC000120615611 221628255 /nfs/dbraw/zinc/62/82/55/221628255.db2.gz GFYZFRBJUBZMDF-OAHLLOKOSA-N 0 0 327.388 1.697 10 0 EDAERN O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000122461435 222092392 /nfs/dbraw/zinc/09/23/92/222092392.db2.gz CEXCGIOXLUTNGC-UHFFFAOYSA-N 0 0 333.413 1.913 10 0 EDAERN COc1ccc(CNS(=O)(=O)c2ccc(N)c(Cl)c2)cn1 ZINC000148407486 533682527 /nfs/dbraw/zinc/68/25/27/533682527.db2.gz BVNOIVNTQDKLNO-UHFFFAOYSA-N 0 0 327.793 1.804 10 0 EDAERN C[C@@H](C(=O)NCc1ccccc1F)N1CCC[C@H](n2cncn2)C1 ZINC000171618658 227178118 /nfs/dbraw/zinc/17/81/18/227178118.db2.gz VDRSLKXZVAMDFO-ZFWWWQNUSA-N 0 0 331.395 1.759 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1nc2ccccc2[nH]1 ZINC000171866211 227325015 /nfs/dbraw/zinc/32/50/15/227325015.db2.gz QRLNIQWEBDGGIZ-QWRGUYRKSA-N 0 0 325.376 1.530 10 0 EDAERN O=C(Nc1cccc(OC(F)F)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130663360 287496763 /nfs/dbraw/zinc/49/67/63/287496763.db2.gz QQDOOXSSLKOUOR-MFKMUULPSA-N 0 0 342.342 1.894 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@@H](CO)Cc2ccccc2C)CC1 ZINC000190554955 272974520 /nfs/dbraw/zinc/97/45/20/272974520.db2.gz BOPBXDUHMHKHJU-VMBOVVBDSA-N 0 0 333.428 1.994 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000191485016 272979912 /nfs/dbraw/zinc/97/99/12/272979912.db2.gz PUZULBGJRVBPID-UHFFFAOYSA-N 0 0 344.390 1.518 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccccc1-n1ccc(C)n1)C(C)C ZINC000178431502 267562186 /nfs/dbraw/zinc/56/21/86/267562186.db2.gz QCFVKCNJGWSBAB-MRXNPFEDSA-N 0 0 343.431 1.751 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(C)C ZINC000178926637 267599170 /nfs/dbraw/zinc/59/91/70/267599170.db2.gz NRYMJYHRLZTPDQ-SECBINFHSA-N 0 0 334.298 1.286 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCCO1 ZINC000119927230 272925233 /nfs/dbraw/zinc/92/52/33/272925233.db2.gz YKHPIDJAYSMJPH-CZUORRHYSA-N 0 0 335.429 1.777 10 0 EDAERN O=C(Cc1nc2ncccn2n1)N1CCCC[C@@H]1c1nccs1 ZINC000171654189 272932095 /nfs/dbraw/zinc/93/20/95/272932095.db2.gz WJDAXGXBIAMNRI-LLVKDONJSA-N 0 0 328.401 1.877 10 0 EDAERN Cc1nc(COc2ccc(NC(=O)C(=O)N[C@H](C)C3CC3)cc2)no1 ZINC000171772834 272932346 /nfs/dbraw/zinc/93/23/46/272932346.db2.gz VPOMEMORCXRWEO-SNVBAGLBSA-N 0 0 344.371 1.810 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2snnc2CC)C12CCOCC2 ZINC000187136415 272948728 /nfs/dbraw/zinc/94/87/28/272948728.db2.gz XFGFLDGCTVJTEG-NWDGAFQWSA-N 0 0 325.434 1.805 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000248456212 287771597 /nfs/dbraw/zinc/77/15/97/287771597.db2.gz NEKYSIPAPLJQLY-YKQBOZHPSA-N 0 0 346.493 1.953 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000067569448 278143519 /nfs/dbraw/zinc/14/35/19/278143519.db2.gz YYRUIPSJZMWBBP-MRXNPFEDSA-N 0 0 341.415 1.682 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1cccc(-n2ccnc2)c1 ZINC000173265040 533691471 /nfs/dbraw/zinc/69/14/71/533691471.db2.gz VFLSEDLJHRPHTI-WFASDCNBSA-N 0 0 327.388 1.463 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@]12CCOC2=O ZINC000187512097 288634738 /nfs/dbraw/zinc/63/47/38/288634738.db2.gz UHQCSQLEJVRPKH-BZNIZROVSA-N 0 0 333.392 1.167 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000246826807 290108237 /nfs/dbraw/zinc/10/82/37/290108237.db2.gz ZEJPDKUURYQLJE-RRFJBIMHSA-N 0 0 337.420 1.208 10 0 EDAERN O=C(N1CC[C@H](N2CCOCC2)C1)C1(c2ccccc2)CCOCC1 ZINC000172767229 295581514 /nfs/dbraw/zinc/58/15/14/295581514.db2.gz QEQSVMUNVQVXDA-SFHVURJKSA-N 0 0 344.455 1.668 10 0 EDAERN O=C1CCC(=O)OCCCCOC(=O)CCC(=O)OCCCCO1 ZINC000035906424 304622562 /nfs/dbraw/zinc/62/25/62/304622562.db2.gz FQFYNHBRDVTSLE-UHFFFAOYSA-N 0 0 344.360 1.294 10 0 EDAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000177233535 301020017 /nfs/dbraw/zinc/02/00/17/301020017.db2.gz GWSBWBLWSGQDQT-AWEZNQCLSA-N 0 0 342.395 1.648 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccccc2Cl)n1 ZINC000183745634 302852800 /nfs/dbraw/zinc/85/28/00/302852800.db2.gz XVUZVQDPVAQEHJ-NSHDSACASA-N 0 0 343.792 1.794 10 0 EDAERN Cn1ncc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1C1CC1 ZINC000299741055 303656544 /nfs/dbraw/zinc/65/65/44/303656544.db2.gz CMAWNAOLLHVJCZ-NXEZZACHSA-N 0 0 330.310 1.033 10 0 EDAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc(C)no2)C12CCOCC2 ZINC000546731781 306095563 /nfs/dbraw/zinc/09/55/63/306095563.db2.gz LOOQZOONXIFGRS-ZIAGYGMSSA-N 0 0 344.433 1.377 10 0 EDAERN CNC(=O)c1cc(NC(=O)C(=O)N[C@H](C)C(C)C)ccc1Cl ZINC000070689884 441115032 /nfs/dbraw/zinc/11/50/32/441115032.db2.gz ILFOYDQAFGZOJQ-SECBINFHSA-N 0 0 325.796 1.799 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1)C1CC1 ZINC000080146865 441145321 /nfs/dbraw/zinc/14/53/21/441145321.db2.gz DGISSBVFSHAMSI-GFCCVEGCSA-N 0 0 329.400 1.662 10 0 EDAERN NC(=[NH2+])c1ccc(COc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC000013802308 441167435 /nfs/dbraw/zinc/16/74/35/441167435.db2.gz UGLSHEYAISHSIG-UHFFFAOYSA-N 0 0 327.340 1.364 10 0 EDAERN Cc1[nH]c2ccccc2c1CCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104795735 441211421 /nfs/dbraw/zinc/21/14/21/441211421.db2.gz QMVSAUMIEGWPHC-CQSZACIVSA-N 0 0 330.432 1.649 10 0 EDAERN CC(C)[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000016033911 441214140 /nfs/dbraw/zinc/21/41/40/441214140.db2.gz NJSOWTUKQDZKML-OAHLLOKOSA-N 0 0 334.420 1.669 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1cccs1 ZINC000081451116 441271744 /nfs/dbraw/zinc/27/17/44/441271744.db2.gz QTSHBMIGRRVJOL-SNVBAGLBSA-N 0 0 326.418 1.667 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801363 441273376 /nfs/dbraw/zinc/27/33/76/441273376.db2.gz JAAHVANSHREHIH-INIZCTEOSA-N 0 0 349.479 1.228 10 0 EDAERN Cc1ccc(C(=O)NCCNC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000081494523 441277832 /nfs/dbraw/zinc/27/78/32/441277832.db2.gz XNACTWPSWVIZMS-CVEARBPZSA-N 0 0 333.432 1.575 10 0 EDAERN CC(C)c1noc([C@@H](C)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000105817136 441278030 /nfs/dbraw/zinc/27/80/30/441278030.db2.gz ZQDAHNQGFVTOOW-GFCCVEGCSA-N 0 0 342.407 1.514 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2ccc(C)cc2)C[C@@H]1C ZINC000105834549 441287749 /nfs/dbraw/zinc/28/77/49/441287749.db2.gz IZBRFVVYZJKGSM-KRWDZBQOSA-N 0 0 333.476 1.654 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000106370253 441335699 /nfs/dbraw/zinc/33/56/99/441335699.db2.gz MIBIBUKHJSJUNN-AWEZNQCLSA-N 0 0 336.480 1.833 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000106395068 441338685 /nfs/dbraw/zinc/33/86/85/441338685.db2.gz QVEQZLLCYJUWGE-WBVHZDCISA-N 0 0 347.459 1.110 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1)C1CC1 ZINC000049087465 441346220 /nfs/dbraw/zinc/34/62/20/441346220.db2.gz ZOCMQJDKMDGEQY-GFCCVEGCSA-N 0 0 329.400 1.776 10 0 EDAERN COc1ccc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)c(O)c1 ZINC000105868042 441297568 /nfs/dbraw/zinc/29/75/68/441297568.db2.gz SJLYGCQXFXCPKY-UHFFFAOYSA-N 0 0 342.399 1.852 10 0 EDAERN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000048363097 441298729 /nfs/dbraw/zinc/29/87/29/441298729.db2.gz WVOSXUBDUVGSHL-HOCLYGCPSA-N 0 0 340.464 1.975 10 0 EDAERN CC(=O)Nc1nc(CN2CCCN(Cc3cnn(C)c3)CC2)cs1 ZINC000105868947 441299136 /nfs/dbraw/zinc/29/91/36/441299136.db2.gz VYYJXUKTTVPJTM-UHFFFAOYSA-N 0 0 348.476 1.543 10 0 EDAERN CCN(C(=O)CN1CCO[C@H](Cn2cc(C)cn2)C1)c1ccccc1 ZINC000105891973 441310235 /nfs/dbraw/zinc/31/02/35/441310235.db2.gz CQZGEHSPNJOADP-SFHVURJKSA-N 0 0 342.443 1.945 10 0 EDAERN Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000105898666 441312184 /nfs/dbraw/zinc/31/21/84/441312184.db2.gz BFJQZBLRQNTDNM-RDJZCZTQSA-N 0 0 327.432 1.928 10 0 EDAERN Cc1cccc(OC[C@H](O)CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000105903991 441315162 /nfs/dbraw/zinc/31/51/62/441315162.db2.gz QETWCRCKDRRDNV-AEFFLSMTSA-N 0 0 331.416 1.332 10 0 EDAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081812700 441317534 /nfs/dbraw/zinc/31/75/34/441317534.db2.gz AVKLODJFGGGLTA-NWDGAFQWSA-N 0 0 337.424 1.841 10 0 EDAERN CC(C)(c1nnc(NC(=O)[C@H]2CNC(=O)C2)s1)c1ccccc1 ZINC000106686008 441364078 /nfs/dbraw/zinc/36/40/78/441364078.db2.gz RZFCPLIYGZANMW-SNVBAGLBSA-N 0 0 330.413 1.939 10 0 EDAERN C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000083704622 441368962 /nfs/dbraw/zinc/36/89/62/441368962.db2.gz OLHLXKPPGSLXCC-GHMZBOCLSA-N 0 0 332.857 1.321 10 0 EDAERN CC(C)(C)c1csc([C@@H]2CN(CCNS(C)(=O)=O)CCO2)n1 ZINC000107300278 441407754 /nfs/dbraw/zinc/40/77/54/441407754.db2.gz RMBCDKDUHGSVIR-NSHDSACASA-N 0 0 347.506 1.363 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000027926640 441418517 /nfs/dbraw/zinc/41/85/17/441418517.db2.gz JAOXGZACBPMNBU-SJLPKXTDSA-N 0 0 329.444 1.807 10 0 EDAERN COc1ccc(OCCNC(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000084865383 441423270 /nfs/dbraw/zinc/42/32/70/441423270.db2.gz CKTHRMSBAGAJSO-HNNXBMFYSA-N 0 0 345.403 1.808 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(OC)cc1 ZINC000028273354 441429721 /nfs/dbraw/zinc/42/97/21/441429721.db2.gz NUPUDTMGOBWWFF-OAHLLOKOSA-N 0 0 340.445 1.516 10 0 EDAERN C[C@H](NC(=O)COc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000027323724 441399413 /nfs/dbraw/zinc/39/94/13/441399413.db2.gz NWFYXOPZHOKSDS-LBPRGKRZSA-N 0 0 334.397 1.590 10 0 EDAERN C[C@@H](CNC(=O)NC[C@H]1CCOc2ccccc21)N1CCOCC1 ZINC000108883210 441479360 /nfs/dbraw/zinc/47/93/60/441479360.db2.gz YVSQOLAWCMXBQU-LSDHHAIUSA-N 0 0 333.432 1.573 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)Nc2cccnc2-n2cncn2)cn1 ZINC000108923370 441481351 /nfs/dbraw/zinc/48/13/51/441481351.db2.gz ASIKZMUOMIYFQH-CQSZACIVSA-N 0 0 338.375 1.765 10 0 EDAERN CS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109084706 441487155 /nfs/dbraw/zinc/48/71/55/441487155.db2.gz SSXCOMXYLCVEMN-GHMZBOCLSA-N 0 0 332.372 1.124 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000109305048 441494521 /nfs/dbraw/zinc/49/45/21/441494521.db2.gz BBDUPSPQOXORPO-TZMCWYRMSA-N 0 0 341.367 1.320 10 0 EDAERN O=C(Nc1cnc(C2CC2)nc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111757485 441541157 /nfs/dbraw/zinc/54/11/57/441541157.db2.gz KEVFQXYXMVQFKZ-CQSZACIVSA-N 0 0 328.376 1.483 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000089769127 441577102 /nfs/dbraw/zinc/57/71/02/441577102.db2.gz ZOIMDFREUKYTAH-UHFFFAOYSA-N 0 0 349.398 1.774 10 0 EDAERN COCCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)C(C)C ZINC000033127571 441589437 /nfs/dbraw/zinc/58/94/37/441589437.db2.gz QDDCTNPBSQWERN-MRXNPFEDSA-N 0 0 333.432 1.936 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C)CCO2)c1 ZINC000113292608 441598556 /nfs/dbraw/zinc/59/85/56/441598556.db2.gz VGOXRDOJAJOFKE-CQSZACIVSA-N 0 0 329.466 1.658 10 0 EDAERN CN(C)c1cc(C(F)(F)F)nc(SCCN2CCOCC2)n1 ZINC000090069529 441618714 /nfs/dbraw/zinc/61/87/14/441618714.db2.gz FWEUEUSUKLZMQS-UHFFFAOYSA-N 0 0 336.383 1.986 10 0 EDAERN O=C(C(=O)N1CCN2CCCC[C@@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000113806329 441624696 /nfs/dbraw/zinc/62/46/96/441624696.db2.gz DWCGVVZKHXDZKO-QGZVFWFLSA-N 0 0 338.411 1.752 10 0 EDAERN Cc1ocnc1C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113859333 441625468 /nfs/dbraw/zinc/62/54/68/441625468.db2.gz AOSUSVUBCQXOAZ-UHFFFAOYSA-N 0 0 331.420 1.893 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000076360790 441635580 /nfs/dbraw/zinc/63/55/80/441635580.db2.gz WDRDEQCXYQXJHC-GHMZBOCLSA-N 0 0 329.393 1.869 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1Cl)N1CCOCC1 ZINC000076599263 441663289 /nfs/dbraw/zinc/66/32/89/441663289.db2.gz GOMNPCKDGCONBF-JTQLQIEISA-N 0 0 343.786 1.255 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000114838415 441689121 /nfs/dbraw/zinc/68/91/21/441689121.db2.gz ZKYGAPKIXUJRDI-KGLIPLIRSA-N 0 0 338.452 1.086 10 0 EDAERN CCOc1ccccc1OCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114866337 441693311 /nfs/dbraw/zinc/69/33/11/441693311.db2.gz ZOLANRGFBZIPFP-ZDUSSCGKSA-N 0 0 344.415 1.749 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1csc(NC(C)=O)n1)CC2 ZINC000114867214 441693753 /nfs/dbraw/zinc/69/37/53/441693753.db2.gz RDYVWUXSDNZLEK-VIFPVBQESA-N 0 0 334.405 1.000 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(OC)c1OC)CC2 ZINC000114869267 441693792 /nfs/dbraw/zinc/69/37/92/441693792.db2.gz HQICGPDFDRGLIU-LLVKDONJSA-N 0 0 330.388 1.603 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(F)c1F)CC2 ZINC000114874544 441694460 /nfs/dbraw/zinc/69/44/60/441694460.db2.gz XYSDDNLCRJJVPR-VIFPVBQESA-N 0 0 342.371 1.412 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc3c1OCCO3)CC2 ZINC000114872895 441694625 /nfs/dbraw/zinc/69/46/25/441694625.db2.gz FBPBPRPWEVDXLF-NSHDSACASA-N 0 0 328.372 1.357 10 0 EDAERN COc1cccc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000158210977 441706602 /nfs/dbraw/zinc/70/66/02/441706602.db2.gz RPHBZAQBHZCHPL-CYBMUJFWSA-N 0 0 344.419 1.619 10 0 EDAERN CC(=O)N1CCCN(C(=O)N[C@H](C)COCc2ccccc2)CC1 ZINC000173334267 441715918 /nfs/dbraw/zinc/71/59/18/441715918.db2.gz KOZXTTUFADZMKO-OAHLLOKOSA-N 0 0 333.432 1.856 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1CCN(C(C)C)C1=O)C(C)C ZINC000114654141 441672545 /nfs/dbraw/zinc/67/25/45/441672545.db2.gz ZCTNHZAOJJJJFN-HIFRSBDPSA-N 0 0 325.453 1.299 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000137123040 441748502 /nfs/dbraw/zinc/74/85/02/441748502.db2.gz DUBAPGTWXGNNLC-ZDUSSCGKSA-N 0 0 334.420 1.541 10 0 EDAERN CNC(=O)CCN(C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173452584 441755596 /nfs/dbraw/zinc/75/55/96/441755596.db2.gz NJUQSQSORZOUBE-ZDUSSCGKSA-N 0 0 329.404 1.711 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)NCCN3CCOCC3)C2)n1 ZINC000173476904 441764800 /nfs/dbraw/zinc/76/48/00/441764800.db2.gz YYXGTDMURPZAGB-AWEZNQCLSA-N 0 0 338.477 1.673 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(N(C)C)n1 ZINC000121515824 441722527 /nfs/dbraw/zinc/72/25/27/441722527.db2.gz NNQWJDVKQFESPJ-CYBMUJFWSA-N 0 0 343.435 1.636 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccccc3Cn3cncn3)C2)cn1 ZINC000173378301 441728333 /nfs/dbraw/zinc/72/83/33/441728333.db2.gz WMCJDEDVSFYGAK-CQSZACIVSA-N 0 0 336.399 1.690 10 0 EDAERN C[C@@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccn1 ZINC000115784457 441776884 /nfs/dbraw/zinc/77/68/84/441776884.db2.gz CNWKAJMRTFTFOD-OAHLLOKOSA-N 0 0 342.447 1.794 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Cl)c(Cl)[nH]3)CCO2)[nH]1 ZINC000173526992 441779034 /nfs/dbraw/zinc/77/90/34/441779034.db2.gz NNLAHCYIQXJANF-SECBINFHSA-N 0 0 330.175 1.962 10 0 EDAERN CCc1nc(-c2ccc(C(=O)NC[C@@H](C)N3CCOCC3)cc2)n[nH]1 ZINC000121828852 441790347 /nfs/dbraw/zinc/79/03/47/441790347.db2.gz XFDYIYZERCQEOO-CYBMUJFWSA-N 0 0 343.431 1.485 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)[nH]1 ZINC000173569047 441793958 /nfs/dbraw/zinc/79/39/58/441793958.db2.gz VKFXBFIILVQNDH-LLVKDONJSA-N 0 0 332.408 1.601 10 0 EDAERN CCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116120585 441795404 /nfs/dbraw/zinc/79/54/04/441795404.db2.gz VMGPTWYFKOUARB-CQSZACIVSA-N 0 0 347.440 1.843 10 0 EDAERN CN(C(=O)c1ccc(C(N)=O)s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121929698 441812687 /nfs/dbraw/zinc/81/26/87/441812687.db2.gz FUKCSVUDHZNIGB-LLVKDONJSA-N 0 0 345.428 1.378 10 0 EDAERN O=C(CCNC(=O)N1CC[C@H](N2CCOCC2)C1)Nc1ccccc1 ZINC000173909773 441860740 /nfs/dbraw/zinc/86/07/40/441860740.db2.gz ZZJCDPWUJDGKAI-INIZCTEOSA-N 0 0 346.431 1.131 10 0 EDAERN C[C@@H](NC(=O)CCCCNC(N)=O)c1cccc(-n2ccnc2)c1 ZINC000173949562 441866161 /nfs/dbraw/zinc/86/61/61/441866161.db2.gz TZEUZKDKGMNUHX-CYBMUJFWSA-N 0 0 329.404 1.888 10 0 EDAERN CCOC(=O)N1CCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000043165629 441823451 /nfs/dbraw/zinc/82/34/51/441823451.db2.gz DTULQVOMUWUCCF-AWEZNQCLSA-N 0 0 333.388 1.994 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000173772219 441837391 /nfs/dbraw/zinc/83/73/91/441837391.db2.gz RKBCSGSYTFKXPH-HNNXBMFYSA-N 0 0 343.383 1.452 10 0 EDAERN CCNS(=O)(=O)Nc1ccc(I)cc1 ZINC000160619773 441902546 /nfs/dbraw/zinc/90/25/46/441902546.db2.gz NNSFVOIJYJZDMC-UHFFFAOYSA-N 0 0 326.159 1.557 10 0 EDAERN Cc1ncc([C@@H]2OCCc3sccc32)n1S(=O)(=O)N(C)C ZINC000117847891 441879661 /nfs/dbraw/zinc/87/96/61/441879661.db2.gz WXVOJUGDSMHYNX-CYBMUJFWSA-N 0 0 327.431 1.570 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccco3)C2=O)n(C)n1 ZINC000174034780 441880958 /nfs/dbraw/zinc/88/09/58/441880958.db2.gz POLJURYGISZFRM-CYBMUJFWSA-N 0 0 331.376 1.316 10 0 EDAERN COc1ccsc1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000123446430 441887036 /nfs/dbraw/zinc/88/70/36/441887036.db2.gz WRNFPWFNXGMRMQ-NEPJUHHUSA-N 0 0 346.474 1.098 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CCc3cscn3)C2=O)n(C)n1 ZINC000175004819 441994647 /nfs/dbraw/zinc/99/46/47/441994647.db2.gz NNUSFYIHXBCSJR-ZDUSSCGKSA-N 0 0 347.444 1.429 10 0 EDAERN CSCCCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000175079956 442001184 /nfs/dbraw/zinc/00/11/84/442001184.db2.gz LTSYNLKTXUITMH-UHFFFAOYSA-N 0 0 341.481 1.739 10 0 EDAERN CCC(CC)c1cc(CNC(=O)N[C@H]2CCc3ncnn3C2)on1 ZINC000175122965 442007648 /nfs/dbraw/zinc/00/76/48/442007648.db2.gz STUHEWNXPKCVLD-LBPRGKRZSA-N 0 0 332.408 1.984 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3cccnc3)C2=O)n(C)n1 ZINC000175199161 442015020 /nfs/dbraw/zinc/01/50/20/442015020.db2.gz FPNOKTXLHXYJCN-CYBMUJFWSA-N 0 0 328.376 1.441 10 0 EDAERN COCCN(Cc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000161639708 442019506 /nfs/dbraw/zinc/01/95/06/442019506.db2.gz NEEJOOAWYVUSBU-MRXNPFEDSA-N 0 0 334.441 1.870 10 0 EDAERN COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1ccc(C)o1)CC2 ZINC000120201376 442028651 /nfs/dbraw/zinc/02/86/51/442028651.db2.gz FZPXXDYMOCPTGV-NEPJUHHUSA-N 0 0 333.392 1.701 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000151259284 442032800 /nfs/dbraw/zinc/03/28/00/442032800.db2.gz QPVQMKYQDRWCFM-CZUORRHYSA-N 0 0 329.462 1.355 10 0 EDAERN CN(C(=O)C(F)(F)C1(O)CCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000161805394 442033828 /nfs/dbraw/zinc/03/38/28/442033828.db2.gz DIWSPDRSHBNPSV-LBPRGKRZSA-N 0 0 340.374 1.454 10 0 EDAERN CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120248986 442035634 /nfs/dbraw/zinc/03/56/34/442035634.db2.gz PNOIIRRBPOVOHX-LLVKDONJSA-N 0 0 337.424 1.260 10 0 EDAERN CCCCOCCCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175614451 442093423 /nfs/dbraw/zinc/09/34/23/442093423.db2.gz AZIXJKUKHNIIIE-HZPDHXFCSA-N 0 0 327.469 1.555 10 0 EDAERN COc1ncnc(N(C)C)c1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000151332359 442044559 /nfs/dbraw/zinc/04/45/59/442044559.db2.gz OWFHLLAFWFTKTQ-LLVKDONJSA-N 0 0 345.407 1.306 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CCO2)[nH]1 ZINC000175458699 442066307 /nfs/dbraw/zinc/06/63/07/442066307.db2.gz JQWXDRGUFOEOIC-ILXRZTDVSA-N 0 0 345.378 1.891 10 0 EDAERN Cc1cc(C)n2nc(C(=O)N3CCC(Cn4cccn4)CC3)nc2n1 ZINC000126013748 442069139 /nfs/dbraw/zinc/06/91/39/442069139.db2.gz FVJPGQAIDKFHSH-UHFFFAOYSA-N 0 0 339.403 1.490 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCc2ccccn2)no1 ZINC000096210175 442086148 /nfs/dbraw/zinc/08/61/48/442086148.db2.gz JXNZCQCHFGGDFY-HNNXBMFYSA-N 0 0 328.372 1.342 10 0 EDAERN Cc1nc(CN2CCCN(S(=O)(=O)CCCF)CC2)cs1 ZINC000175577004 442088685 /nfs/dbraw/zinc/08/86/85/442088685.db2.gz DZXHDXCOQUUBJB-UHFFFAOYSA-N 0 0 335.470 1.649 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175716923 442110984 /nfs/dbraw/zinc/11/09/84/442110984.db2.gz QZHJVORPEOSEFG-AWEZNQCLSA-N 0 0 328.372 1.901 10 0 EDAERN Cc1nc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)sc1C ZINC000120661040 442113533 /nfs/dbraw/zinc/11/35/33/442113533.db2.gz XCPASRYPVUUWIY-CYBMUJFWSA-N 0 0 334.449 1.941 10 0 EDAERN CC(C)c1nc(C2(NC(=O)CCNS(C)(=O)=O)CCCC2)no1 ZINC000175807904 442127263 /nfs/dbraw/zinc/12/72/63/442127263.db2.gz NINZYJHMNHKBBP-UHFFFAOYSA-N 0 0 344.437 1.018 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCCc1nc(-c2ccccc2)n[nH]1)C(C)C ZINC000162869044 442127333 /nfs/dbraw/zinc/12/73/33/442127333.db2.gz XMOQBHIRLHSLMK-CQSZACIVSA-N 0 0 345.403 1.511 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NC[C@@H](CCO)CC(C)C)CCO2)[nH]1 ZINC000120859297 442142140 /nfs/dbraw/zinc/14/21/40/442142140.db2.gz UPDKWBPAJQLRBC-KBPBESRZSA-N 0 0 339.440 1.241 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)NCCOc1cccc(Cl)c1 ZINC000120857544 442142544 /nfs/dbraw/zinc/14/25/44/442142544.db2.gz NATAYQCXRZURJF-CHWSQXEVSA-N 0 0 326.824 1.944 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)Nc1cc(C(=O)N(C)C)ccn1)C(C)C ZINC000163491910 442169898 /nfs/dbraw/zinc/16/98/98/442169898.db2.gz YJIDESFBNKLBLQ-INIZCTEOSA-N 0 0 348.447 1.909 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Sc1ccccn1 ZINC000127107893 442171010 /nfs/dbraw/zinc/17/10/10/442171010.db2.gz IXMBOMQCYMLBLG-RYUDHWBXSA-N 0 0 347.444 1.951 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@@H](O)c2cccc(OC)c2)CC1 ZINC000163525146 442172361 /nfs/dbraw/zinc/17/23/61/442172361.db2.gz ZUYBHEKHCUKLIO-INIZCTEOSA-N 0 0 344.415 1.746 10 0 EDAERN O=C(Nc1ccc(OCC(F)(F)F)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121149631 442183647 /nfs/dbraw/zinc/18/36/47/442183647.db2.gz SHAVPXBLXDROIN-LLVKDONJSA-N 0 0 346.305 1.550 10 0 EDAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)NCC1CCCCC1 ZINC000126902384 442152258 /nfs/dbraw/zinc/15/22/58/442152258.db2.gz QQRARDPFXJREQQ-KGLIPLIRSA-N 0 0 330.494 1.580 10 0 EDAERN O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC[C@H]1CO ZINC000120946996 442155396 /nfs/dbraw/zinc/15/53/96/442155396.db2.gz WJULFFWQXGXAQD-VIFPVBQESA-N 0 0 345.168 1.510 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)C[C@H](C)C(=O)OC)CC2)cn1 ZINC000152042423 442157813 /nfs/dbraw/zinc/15/78/13/442157813.db2.gz OMMYKTOAGYDWLZ-LBPRGKRZSA-N 0 0 343.449 1.221 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C)c1C ZINC000176018308 442162041 /nfs/dbraw/zinc/16/20/41/442162041.db2.gz ZNUKCBYYYTUBHX-CQSZACIVSA-N 0 0 327.388 1.793 10 0 EDAERN C[C@H](NC(=O)CCNC(=O)c1[nH]nc2ccccc21)[C@@H]1CCCO1 ZINC000170694716 442249762 /nfs/dbraw/zinc/24/97/62/442249762.db2.gz XSTHCMXCUWELBY-FZMZJTMJSA-N 0 0 330.388 1.367 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cnc(Cl)c(Cl)c1 ZINC000176747511 442253319 /nfs/dbraw/zinc/25/33/19/442253319.db2.gz RBYDUNLRWBZNME-SECBINFHSA-N 0 0 348.215 1.793 10 0 EDAERN O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127584361 442213564 /nfs/dbraw/zinc/21/35/64/442213564.db2.gz OBPJGLVXINSSIR-AWEZNQCLSA-N 0 0 337.387 1.411 10 0 EDAERN COc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)c2ccccc12 ZINC000176443120 442223540 /nfs/dbraw/zinc/22/35/40/442223540.db2.gz NKOOIGZIHWIGDH-CQSZACIVSA-N 0 0 344.411 1.271 10 0 EDAERN CS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2ccco2)o1 ZINC000176647031 442243516 /nfs/dbraw/zinc/24/35/16/442243516.db2.gz FLBHEQVBIQXJNO-LBPRGKRZSA-N 0 0 338.385 1.899 10 0 EDAERN COc1c(C)ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)c1C ZINC000176658473 442244347 /nfs/dbraw/zinc/24/43/47/442244347.db2.gz DPVFSEHPRYMFDW-ZFWWWQNUSA-N 0 0 334.416 1.918 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)c1nc(-c2cnn(C)c2)oc1C ZINC000176907749 442270988 /nfs/dbraw/zinc/27/09/88/442270988.db2.gz GXIKECNEQOPMPF-LBPRGKRZSA-N 0 0 332.360 1.551 10 0 EDAERN CCc1cccc(S(=O)(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000176915899 442272639 /nfs/dbraw/zinc/27/26/39/442272639.db2.gz FYDOSZFCTKILIE-MRXNPFEDSA-N 0 0 349.456 1.844 10 0 EDAERN CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@H](C)C(C)C)c1 ZINC000176926886 442275221 /nfs/dbraw/zinc/27/52/21/442275221.db2.gz QQVGAKBOAWXOKW-LLVKDONJSA-N 0 0 330.392 1.459 10 0 EDAERN COCCn1c(C)c(C)nc1S(=O)(=O)Cc1nccn1C(C)C ZINC000176946975 442276603 /nfs/dbraw/zinc/27/66/03/442276603.db2.gz NBWICDADNSPVHH-UHFFFAOYSA-N 0 0 340.449 1.898 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCNC(=O)c2cccnc2)cn1 ZINC000170892181 442284360 /nfs/dbraw/zinc/28/43/60/442284360.db2.gz ACWICTZUMSATFN-HNNXBMFYSA-N 0 0 342.403 1.092 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)c1 ZINC000177026862 442287760 /nfs/dbraw/zinc/28/77/60/442287760.db2.gz SISBEFVOOFIXEB-UHFFFAOYSA-N 0 0 349.822 1.666 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCSc2ccc(F)cc2)C1 ZINC000170919997 442288754 /nfs/dbraw/zinc/28/87/54/442288754.db2.gz RGRLOVLLPQXKBX-CQSZACIVSA-N 0 0 341.452 1.938 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000170758485 442258822 /nfs/dbraw/zinc/25/88/22/442258822.db2.gz DEQDSAYHYFKKKP-AEFFLSMTSA-N 0 0 347.459 1.337 10 0 EDAERN O=C(CNC(=O)N[C@H]1CCOc2ccccc21)Nc1cccnc1 ZINC000171187670 442324056 /nfs/dbraw/zinc/32/40/56/442324056.db2.gz IXWMLGTTWGPWEG-AWEZNQCLSA-N 0 0 326.356 1.843 10 0 EDAERN C[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)N1CCc2ccccc21 ZINC000177323002 442328374 /nfs/dbraw/zinc/32/83/74/442328374.db2.gz KHZULRLNKDVXLG-ZFWWWQNUSA-N 0 0 340.431 1.863 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)C2)no1 ZINC000171235658 442331779 /nfs/dbraw/zinc/33/17/79/442331779.db2.gz ZYZKCVYIEPZJIH-RHSMWYFYSA-N 0 0 348.447 1.806 10 0 EDAERN CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)C1CCCC1 ZINC000171240545 442332802 /nfs/dbraw/zinc/33/28/02/442332802.db2.gz JERGEGZAVDSMCY-WMLDXEAASA-N 0 0 348.447 1.854 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177388362 442335805 /nfs/dbraw/zinc/33/58/05/442335805.db2.gz UPIANMBSFCXAAE-CYBMUJFWSA-N 0 0 332.404 1.034 10 0 EDAERN CSc1nccn1-c1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000171287328 442338730 /nfs/dbraw/zinc/33/87/30/442338730.db2.gz SITPLTNJYZHLQW-HNNXBMFYSA-N 0 0 346.456 1.655 10 0 EDAERN Cc1noc(CCNC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)n1 ZINC000177479697 442347399 /nfs/dbraw/zinc/34/73/99/442347399.db2.gz FCKDTSIKCUPSJJ-LLVKDONJSA-N 0 0 334.380 1.974 10 0 EDAERN CSc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000177633524 442364853 /nfs/dbraw/zinc/36/48/53/442364853.db2.gz NRZSEHMFSWRMBK-NSHDSACASA-N 0 0 331.401 1.070 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000177638988 442365329 /nfs/dbraw/zinc/36/53/29/442365329.db2.gz CQPBDGWYTYIPMU-AWEZNQCLSA-N 0 0 341.415 1.527 10 0 EDAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC(c2ccnn2C)CC1 ZINC000171639593 442365759 /nfs/dbraw/zinc/36/57/59/442365759.db2.gz IHLZBGQWIYKJQI-LLVKDONJSA-N 0 0 330.440 1.194 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000177708877 442373534 /nfs/dbraw/zinc/37/35/34/442373534.db2.gz JKVWWORQNOYAMI-CQSZACIVSA-N 0 0 337.387 1.491 10 0 EDAERN O=C(CCc1nnc(-c2ccccc2)o1)N[C@@H]1CCc2ncnn2C1 ZINC000172002993 442397741 /nfs/dbraw/zinc/39/77/41/442397741.db2.gz RTWYPGKGZLLANF-CYBMUJFWSA-N 0 0 338.371 1.392 10 0 EDAERN CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177555616 442357214 /nfs/dbraw/zinc/35/72/14/442357214.db2.gz MLVUGUVWULBKOX-CYBMUJFWSA-N 0 0 334.401 1.337 10 0 EDAERN CC(C)c1nc(C2(NS(=O)(=O)C[C@H]3CCOC3)CCCC2)no1 ZINC000177611197 442362421 /nfs/dbraw/zinc/36/24/21/442362421.db2.gz CAIAITDERZWFIV-LBPRGKRZSA-N 0 0 343.449 1.918 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2)C[C@H]1CC ZINC000177618136 442363501 /nfs/dbraw/zinc/36/35/01/442363501.db2.gz BWYMCUQIHMXTKW-QGZVFWFLSA-N 0 0 347.459 1.893 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2COc3ccccc3C2)C[C@@H]1C ZINC000172219793 442425214 /nfs/dbraw/zinc/42/52/14/442425214.db2.gz TZSFHAPSVVRGFT-DOTOQJQBSA-N 0 0 332.444 1.807 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)CC1CCCC1)CC2 ZINC000178345932 442426389 /nfs/dbraw/zinc/42/63/89/442426389.db2.gz BYFSRHUASUXABO-CYBMUJFWSA-N 0 0 326.466 1.826 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)C(C)C ZINC000178430969 442433314 /nfs/dbraw/zinc/43/33/14/442433314.db2.gz HEOJMXJBAZBWAQ-QWHCGFSZSA-N 0 0 325.434 1.602 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCn1cccn1)CC2 ZINC000156001017 442441595 /nfs/dbraw/zinc/44/15/95/442441595.db2.gz PMZZYVAYACLCHI-CYBMUJFWSA-N 0 0 331.424 1.302 10 0 EDAERN COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000134131011 442452311 /nfs/dbraw/zinc/45/23/11/442452311.db2.gz IDTPHGBCEVQYIY-RYUDHWBXSA-N 0 0 337.424 1.562 10 0 EDAERN CCCNC(=O)CCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172389350 442453315 /nfs/dbraw/zinc/45/33/15/442453315.db2.gz RRHQCDLUDNKPJC-UHFFFAOYSA-N 0 0 344.415 1.783 10 0 EDAERN CCn1cc([C@@H]2CN(Cc3ccc(C(=O)N(C)C)[nH]3)CCO2)cn1 ZINC000191703895 442493457 /nfs/dbraw/zinc/49/34/57/442493457.db2.gz YOTMGGCSAFCCGC-INIZCTEOSA-N 0 0 331.420 1.506 10 0 EDAERN CC(=O)NC1CN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000191730948 442500880 /nfs/dbraw/zinc/50/08/80/442500880.db2.gz AHHKURLYKXSAJE-ZDUSSCGKSA-N 0 0 343.221 1.009 10 0 EDAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000172600538 442501259 /nfs/dbraw/zinc/50/12/59/442501259.db2.gz FMBOVYYMJWAMAM-YPMHNXCESA-N 0 0 345.451 1.819 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCc1ccccc1O)CC2 ZINC000172607297 442502600 /nfs/dbraw/zinc/50/26/00/442502600.db2.gz XRRBCBUWYCPYJQ-CQSZACIVSA-N 0 0 343.431 1.964 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)NCCC1CCCCC1 ZINC000156264232 442460528 /nfs/dbraw/zinc/46/05/28/442460528.db2.gz KAFCHKABYUZFOA-UHFFFAOYSA-N 0 0 341.477 1.904 10 0 EDAERN Cc1cc(C)n([C@@H](C)C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000172434125 442460626 /nfs/dbraw/zinc/46/06/26/442460626.db2.gz WPINENNQPDBPDN-JKSUJKDBSA-N 0 0 342.447 1.978 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1)C(C)C ZINC000178716518 442461847 /nfs/dbraw/zinc/46/18/47/442461847.db2.gz QBCLIQJBBCZFFH-WMLDXEAASA-N 0 0 345.443 1.543 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)Cn1cccn1 ZINC000156322619 442467965 /nfs/dbraw/zinc/46/79/65/442467965.db2.gz BLOZFWXLLNSZFA-STQMWFEESA-N 0 0 347.423 1.091 10 0 EDAERN CN(C(=O)Nc1ccc(=O)n(C)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000172475744 442471158 /nfs/dbraw/zinc/47/11/58/442471158.db2.gz GFPUMDZLJLLFFV-AWEZNQCLSA-N 0 0 342.403 1.308 10 0 EDAERN CCNc1ncc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)s1 ZINC000191593867 442471899 /nfs/dbraw/zinc/47/18/99/442471899.db2.gz VBKGEQJDVGZWMM-VHSXEESVSA-N 0 0 337.405 1.869 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)n1 ZINC000134365246 442474280 /nfs/dbraw/zinc/47/42/80/442474280.db2.gz PLWVOKAWFVVKBK-LSDHHAIUSA-N 0 0 342.447 1.977 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCCCCSC)CCO2)[nH]1 ZINC000186178238 442478384 /nfs/dbraw/zinc/47/83/84/442478384.db2.gz BBIXCLSOQLQBLD-LBPRGKRZSA-N 0 0 341.481 1.983 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)cn1 ZINC000191783153 442509907 /nfs/dbraw/zinc/50/99/07/442509907.db2.gz UJGVJLDYPAZSSE-DLBZAZTESA-N 0 0 327.384 1.807 10 0 EDAERN C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@@H]1N1CCOCC1 ZINC000191916871 442539945 /nfs/dbraw/zinc/53/99/45/442539945.db2.gz DRYIRZGGUSXRCV-CJNGLKHVSA-N 0 0 332.448 1.471 10 0 EDAERN COCCN1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1C ZINC000156995769 442540365 /nfs/dbraw/zinc/54/03/65/442540365.db2.gz ABROYDOSTPCAMF-CRAIPNDOSA-N 0 0 349.450 1.974 10 0 EDAERN CCc1ccc([C@H]2CCCCN2Cc2cc(=O)n(C)c(=O)n2C)o1 ZINC000172871817 442558860 /nfs/dbraw/zinc/55/88/60/442558860.db2.gz SRHKXNJGJDTKDN-OAHLLOKOSA-N 0 0 331.416 1.967 10 0 EDAERN COCCCOc1cccc(C(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000172826450 442550732 /nfs/dbraw/zinc/55/07/32/442550732.db2.gz RKVZMRXLNBAGIC-INIZCTEOSA-N 0 0 334.416 1.843 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)C1 ZINC000191791128 442511213 /nfs/dbraw/zinc/51/12/13/442511213.db2.gz NJWUPUAHWYVYGU-DZGCQCFKSA-N 0 0 334.420 1.061 10 0 EDAERN Cc1cc(C(=O)NC[C@@H](C)N2CCOCC2)nn1-c1ccc(F)cc1 ZINC000179849800 442511718 /nfs/dbraw/zinc/51/17/18/442511718.db2.gz GDDVBVDXYZLWIL-CQSZACIVSA-N 0 0 346.406 1.770 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCOC3CCOCC3)CCO2)cn1 ZINC000191803698 442514095 /nfs/dbraw/zinc/51/40/95/442514095.db2.gz OGYCESQLDWAXCK-MRXNPFEDSA-N 0 0 337.420 1.389 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc3c(c2)N(C)CC3)C[C@H]1C ZINC000180201788 442557495 /nfs/dbraw/zinc/55/74/95/442557495.db2.gz VLCSQCKNESJWBX-CQSZACIVSA-N 0 0 332.448 1.863 10 0 EDAERN Cc1nccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000156810596 442523436 /nfs/dbraw/zinc/52/34/36/442523436.db2.gz GGLUIPOAJHMCEV-RDJZCZTQSA-N 0 0 342.374 1.760 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000180047200 442532442 /nfs/dbraw/zinc/53/24/42/442532442.db2.gz AYSHGEVKJOYWJB-SECBINFHSA-N 0 0 347.749 1.004 10 0 EDAERN O=C(Cc1ccccc1OC(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748998 442533094 /nfs/dbraw/zinc/53/30/94/442533094.db2.gz MWNPWEGXJNJAJQ-CQSZACIVSA-N 0 0 340.370 1.764 10 0 EDAERN CN(c1ccccc1)c1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cn1 ZINC000180269115 442570370 /nfs/dbraw/zinc/57/03/70/442570370.db2.gz VCYGUDLFMYJQAA-OAHLLOKOSA-N 0 0 340.383 1.176 10 0 EDAERN C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1nnc2n1CCCC2 ZINC000135256062 442573357 /nfs/dbraw/zinc/57/33/57/442573357.db2.gz FWIHYPFJLMMZQR-LLVKDONJSA-N 0 0 349.435 1.849 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000172970235 442575021 /nfs/dbraw/zinc/57/50/21/442575021.db2.gz QYVYYBGXXIGBHP-CQSZACIVSA-N 0 0 342.395 1.886 10 0 EDAERN O=C(Nc1cnns1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000192036927 442575480 /nfs/dbraw/zinc/57/54/80/442575480.db2.gz NHOZLANHRYVXHX-QWHCGFSZSA-N 0 0 346.412 1.591 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)OCCO2 ZINC000135306970 442577792 /nfs/dbraw/zinc/57/77/92/442577792.db2.gz GFGNGJLOCMMYHX-CQSZACIVSA-N 0 0 340.383 1.647 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)OCC3CC3)C2=O)n(C)n1 ZINC000173067798 442598355 /nfs/dbraw/zinc/59/83/55/442598355.db2.gz OSCOYBYJSGBKDD-JSGCOSHPSA-N 0 0 334.420 1.155 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C(C)(Cl)Cl)CC1 ZINC000180415309 442599583 /nfs/dbraw/zinc/59/95/83/442599583.db2.gz QMHWNVXLTHCNHZ-UHFFFAOYSA-N 0 0 333.263 1.875 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)CC1CCOCC1 ZINC000173123885 442606984 /nfs/dbraw/zinc/60/69/84/442606984.db2.gz PMUNHSNRCAXXFN-HNNXBMFYSA-N 0 0 341.477 1.930 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000180223298 442561776 /nfs/dbraw/zinc/56/17/76/442561776.db2.gz QBADTRGYNFLCIV-CQSZACIVSA-N 0 0 343.387 1.214 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cccc(F)c3)CCO2)[nH]1 ZINC000180229913 442563076 /nfs/dbraw/zinc/56/30/76/442563076.db2.gz MDRDMOFSCUJODL-LBPRGKRZSA-N 0 0 347.350 1.045 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)C(C)C ZINC000179082099 442568197 /nfs/dbraw/zinc/56/81/97/442568197.db2.gz FICZCECDKRXPGU-CQSZACIVSA-N 0 0 328.372 1.060 10 0 EDAERN C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000180620106 442635693 /nfs/dbraw/zinc/63/56/93/442635693.db2.gz HLETVGNYVLQCJX-GOEBONIOSA-N 0 0 342.447 1.413 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@@H]1CCO)CC2 ZINC000180620965 442635954 /nfs/dbraw/zinc/63/59/54/442635954.db2.gz SPUIPNUWQHNELC-ZIAGYGMSSA-N 0 0 335.452 1.663 10 0 EDAERN CC(F)(F)c1cccc(NC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000186959810 442636490 /nfs/dbraw/zinc/63/64/90/442636490.db2.gz RSUYRUAYXKLKKG-CQSZACIVSA-N 0 0 343.374 1.613 10 0 EDAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1=NN(CCO)C(=O)CC1 ZINC000136263433 442658066 /nfs/dbraw/zinc/65/80/66/442658066.db2.gz JLIHZBKRXDCXED-VHSXEESVSA-N 0 0 335.326 1.194 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC[C@@H]1CCO ZINC000180744630 442654460 /nfs/dbraw/zinc/65/44/60/442654460.db2.gz RPMRZQBQOVKAFN-CHWSQXEVSA-N 0 0 337.424 1.206 10 0 EDAERN O=C(CCc1nc(C2CCCC2)no1)N[C@H]1CCCn2ncnc21 ZINC000135573956 442613398 /nfs/dbraw/zinc/61/33/98/442613398.db2.gz HMHRRNMKTXEULH-LBPRGKRZSA-N 0 0 330.392 1.903 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)[C@H]3CCO[C@@H]3C)CC2)cn1 ZINC000135725065 442628214 /nfs/dbraw/zinc/62/82/14/442628214.db2.gz NKJUDIXIDBHSGV-DOMZBBRYSA-N 0 0 327.450 1.590 10 0 EDAERN CC(C)OCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCCOC(C)C ZINC000186903073 442628366 /nfs/dbraw/zinc/62/83/66/442628366.db2.gz GDGKCEQEBMAGJP-GASCZTMLSA-N 0 0 328.453 1.485 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135745219 442630630 /nfs/dbraw/zinc/63/06/30/442630630.db2.gz RGSPWXBZLLISHF-INIZCTEOSA-N 0 0 339.395 1.800 10 0 EDAERN O=C(CCNC(=O)c1ccsc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181178869 442683117 /nfs/dbraw/zinc/68/31/17/442683117.db2.gz QRAFRUBYMMVDFP-GFCCVEGCSA-N 0 0 333.417 1.740 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)s1 ZINC000181195768 442683755 /nfs/dbraw/zinc/68/37/55/442683755.db2.gz JZZIKFOPZOKVER-LBPRGKRZSA-N 0 0 333.417 1.870 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CCC[C@]2(C)C(=O)OC)c1 ZINC000187690014 442686653 /nfs/dbraw/zinc/68/66/53/442686653.db2.gz JTWMFYALXHEDNO-GOSISDBHSA-N 0 0 332.400 1.994 10 0 EDAERN O=C(NCCCn1ccnn1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187797328 442692446 /nfs/dbraw/zinc/69/24/46/442692446.db2.gz VYVZGWRDZYDFSI-KGLIPLIRSA-N 0 0 335.433 1.147 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000188068776 442707548 /nfs/dbraw/zinc/70/75/48/442707548.db2.gz BZIVELKPNAFHJY-GFCCVEGCSA-N 0 0 325.368 1.393 10 0 EDAERN CC(C)(O)CN(C1CC1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000188027148 442704174 /nfs/dbraw/zinc/70/41/74/442704174.db2.gz JUMBCGQVSIVTIW-SJCJKPOMSA-N 0 0 343.489 1.947 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136359649 442661003 /nfs/dbraw/zinc/66/10/03/442661003.db2.gz KKBOQZUJIMHLOB-OAHLLOKOSA-N 0 0 347.463 1.599 10 0 EDAERN CCC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000136410797 442662817 /nfs/dbraw/zinc/66/28/17/442662817.db2.gz AUPKCZNMZVHXPM-BBRMVZONSA-N 0 0 332.400 1.885 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCC2)O1)N[C@@H]1CCCC[C@@H]1CO ZINC000180862727 442665870 /nfs/dbraw/zinc/66/58/70/442665870.db2.gz LMQARTRQVBCFNQ-RBSFLKMASA-N 0 0 326.437 1.913 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2ncc(C)s2)CC1 ZINC000181927186 442721981 /nfs/dbraw/zinc/72/19/81/442721981.db2.gz VOKUFHKFKUYXGA-STQMWFEESA-N 0 0 326.466 1.611 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccccc1C(C)C ZINC000193232433 442724735 /nfs/dbraw/zinc/72/47/35/442724735.db2.gz AJOMNRQFAQXMIE-GDBMZVCRSA-N 0 0 334.416 1.287 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3ccnc(N)c3)CC2)n1 ZINC000193337715 442734030 /nfs/dbraw/zinc/73/40/30/442734030.db2.gz XKIDQZMXTFEZGM-UHFFFAOYSA-N 0 0 328.420 1.483 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000193362066 442736090 /nfs/dbraw/zinc/73/60/90/442736090.db2.gz LLEFPMDIRNXMRS-CRAIPNDOSA-N 0 0 334.416 1.940 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000193361927 442736141 /nfs/dbraw/zinc/73/61/41/442736141.db2.gz KEUSKPXVEAMCJO-HOTGVXAUSA-N 0 0 334.416 1.717 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCCS(=O)(=O)NC)o1 ZINC000188306840 442736500 /nfs/dbraw/zinc/73/65/00/442736500.db2.gz YXVWYQVIKCEFSW-ZDUSSCGKSA-N 0 0 343.449 1.628 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3sccc3COC)CCO2)[nH]1 ZINC000182220240 442746646 /nfs/dbraw/zinc/74/66/46/442746646.db2.gz ZIPMVQKWNNXNGB-LLVKDONJSA-N 0 0 336.417 1.789 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000188443704 442750682 /nfs/dbraw/zinc/75/06/82/442750682.db2.gz DENHBOPARDISJW-NXOUGTEYSA-N 0 0 326.396 1.999 10 0 EDAERN CCc1nc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)sc1C ZINC000193096083 442712614 /nfs/dbraw/zinc/71/26/14/442712614.db2.gz MFZZEFWQFXONSG-LBPRGKRZSA-N 0 0 336.461 1.649 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000181725090 442712770 /nfs/dbraw/zinc/71/27/70/442712770.db2.gz HCDQJZSJWNZHSJ-OLZOCXBDSA-N 0 0 336.388 1.590 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCCC[C@H]1CCO)CC2 ZINC000181734789 442713188 /nfs/dbraw/zinc/71/31/88/442713188.db2.gz OERUXMNILKXLQK-KBPBESRZSA-N 0 0 335.452 1.663 10 0 EDAERN C[C@@H](O)C[C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188118345 442713581 /nfs/dbraw/zinc/71/35/81/442713581.db2.gz RNEAADAFPZCOID-FVCCEPFGSA-N 0 0 332.416 1.857 10 0 EDAERN C[C@@H](CN1CCC[C@H]1CNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000246664044 442799910 /nfs/dbraw/zinc/79/99/10/442799910.db2.gz WODJFMZQPGBGNW-STQMWFEESA-N 0 0 334.482 1.656 10 0 EDAERN CCOC(=O)[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Cl)cc1 ZINC000193864415 442801291 /nfs/dbraw/zinc/80/12/91/442801291.db2.gz YJVQHOUGMMIDPY-CQSZACIVSA-N 0 0 349.774 1.468 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)c2c(C)noc2C)C[C@@H]1C ZINC000246692324 442804576 /nfs/dbraw/zinc/80/45/76/442804576.db2.gz WQTXYOSPOBFHGO-STQMWFEESA-N 0 0 338.452 1.757 10 0 EDAERN CC(=O)NCCCNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182359447 442760049 /nfs/dbraw/zinc/76/00/49/442760049.db2.gz CWXLJICJFDADBO-AWEZNQCLSA-N 0 0 348.451 1.377 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C2CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000182390001 442762796 /nfs/dbraw/zinc/76/27/96/442762796.db2.gz RKWXYSJOSGYJRB-AWEZNQCLSA-N 0 0 334.420 1.951 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)C1(C(N)=O)CCCC1 ZINC000182408146 442764929 /nfs/dbraw/zinc/76/49/29/442764929.db2.gz KMEUAQSAYRURKL-GFCCVEGCSA-N 0 0 332.404 1.453 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCc3cccc(C)c32)C1 ZINC000193666437 442765768 /nfs/dbraw/zinc/76/57/68/442765768.db2.gz JHNOANYQDWFQAP-OAHLLOKOSA-N 0 0 329.400 1.011 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000188869852 442831592 /nfs/dbraw/zinc/83/15/92/442831592.db2.gz YYVRFHRNEBGKQN-GFCCVEGCSA-N 0 0 326.356 1.620 10 0 EDAERN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H](C)NC(N)=O ZINC000188880588 442834269 /nfs/dbraw/zinc/83/42/69/442834269.db2.gz MGSYODXEPJRSRJ-JGVFFNPUSA-N 0 0 344.209 1.692 10 0 EDAERN O=C1[C@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccccc1F ZINC000246802173 442814680 /nfs/dbraw/zinc/81/46/80/442814680.db2.gz BEMOZEYSNPMDBV-RHSMWYFYSA-N 0 0 333.407 1.338 10 0 EDAERN CCNc1ncc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)s1 ZINC000182737496 442816907 /nfs/dbraw/zinc/81/69/07/442816907.db2.gz XHWYTOCVLYRCFB-NEPJUHHUSA-N 0 0 326.466 1.492 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3ccc(CO)cc3)CC2)n1 ZINC000182754064 442818922 /nfs/dbraw/zinc/81/89/22/442818922.db2.gz PPABMJJBNZYHDK-UHFFFAOYSA-N 0 0 328.416 1.690 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000246979602 442825853 /nfs/dbraw/zinc/82/58/53/442825853.db2.gz JQJXUPMAEWIZMW-NEPJUHHUSA-N 0 0 339.823 1.192 10 0 EDAERN O=C(c1nc2cccnc2s1)N1CCC[C@H](Cn2cncn2)C1 ZINC000194014206 442828607 /nfs/dbraw/zinc/82/86/07/442828607.db2.gz QTWYCYNHDCXFFF-NSHDSACASA-N 0 0 328.401 1.835 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)C12CCOCC2 ZINC000188861177 442829555 /nfs/dbraw/zinc/82/95/55/442829555.db2.gz UFDHICKBAMCNIL-KGLIPLIRSA-N 0 0 330.388 1.662 10 0 EDAERN C[S@@](=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188888119 442835880 /nfs/dbraw/zinc/83/58/80/442835880.db2.gz ZFLAOGYVQDBWIQ-XMMPIXPASA-N 0 0 349.456 1.234 10 0 EDAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188914378 442841233 /nfs/dbraw/zinc/84/12/33/442841233.db2.gz GQKKSSRYCYTZTQ-LLVKDONJSA-N 0 0 346.353 1.342 10 0 EDAERN CC[C@H](NC(=O)N1CCN(CCOC)[C@@H](C)C1)c1nccs1 ZINC000247406008 442851752 /nfs/dbraw/zinc/85/17/52/442851752.db2.gz SCCRYENFUPZEGQ-STQMWFEESA-N 0 0 326.466 1.956 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CCCOC(C)C)C2=O)n(C)n1 ZINC000182945058 442852623 /nfs/dbraw/zinc/85/26/23/442852623.db2.gz LSPSMPKEQVVDDM-AWEZNQCLSA-N 0 0 336.436 1.545 10 0 EDAERN CCOCCN1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1C ZINC000194192339 442859721 /nfs/dbraw/zinc/85/97/21/442859721.db2.gz ABIWLLTXZDSFEB-CQSZACIVSA-N 0 0 343.431 1.655 10 0 EDAERN CNc1cc(N2CCC[C@H]2CN[C@H](C)c2nc(COC)no2)ncn1 ZINC000183090244 442877987 /nfs/dbraw/zinc/87/79/87/442877987.db2.gz DRQUHBSACVYTJQ-NEPJUHHUSA-N 0 0 347.423 1.367 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(c2ncc(C(N)=O)cc2Cl)C1 ZINC000189141355 442884557 /nfs/dbraw/zinc/88/45/57/442884557.db2.gz UJAACNMCZGVCDD-GXSJLCMTSA-N 0 0 337.767 1.492 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(C(C)C)nc3ccccc32)C1 ZINC000189188426 442894179 /nfs/dbraw/zinc/89/41/79/442894179.db2.gz AEQRBIAFIWLAHG-UHFFFAOYSA-N 0 0 341.411 1.945 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N(C)C[C@@H](O)C(F)(F)F)C(C)C ZINC000180822319 318474329 /nfs/dbraw/zinc/47/43/29/318474329.db2.gz JZWDVNPSTRJAFA-PWSUYJOCSA-N 0 0 326.359 1.555 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCCCC(C)(C)CO)CCO2)cn1 ZINC000189253951 442906382 /nfs/dbraw/zinc/90/63/82/442906382.db2.gz QNIGDNDAIFAXJG-HNNXBMFYSA-N 0 0 338.452 1.785 10 0 EDAERN CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248620490 442909432 /nfs/dbraw/zinc/90/94/32/442909432.db2.gz CHZDAYGSUFUDKK-SRVKXCTJSA-N 0 0 335.370 1.385 10 0 EDAERN COC(=O)CC1(CC(=O)N2CCO[C@@H](Cn3cccn3)C2)CCCC1 ZINC000189273401 442909996 /nfs/dbraw/zinc/90/99/96/442909996.db2.gz CXXWHOSQDOUXTM-OAHLLOKOSA-N 0 0 349.431 1.624 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(F)(F)c1ncccc1C)CC2 ZINC000194612762 442923426 /nfs/dbraw/zinc/92/34/26/442923426.db2.gz VXRIDZSHPNBGSB-LLVKDONJSA-N 0 0 335.358 1.767 10 0 EDAERN COc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)ccc1OC(C)C ZINC000189419411 442947155 /nfs/dbraw/zinc/94/71/55/442947155.db2.gz UQKFEHPXRVAEHP-UHFFFAOYSA-N 0 0 332.400 1.833 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cccc3cnccc32)C1)C1CC1 ZINC000187922833 318557628 /nfs/dbraw/zinc/55/76/28/318557628.db2.gz UWMZNKKXDHTOJP-UHFFFAOYSA-N 0 0 331.397 1.134 10 0 EDAERN CCn1cc(Br)cc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189464495 442960492 /nfs/dbraw/zinc/96/04/92/442960492.db2.gz RIANWTQOUFEKLF-UHFFFAOYSA-N 0 0 340.221 1.621 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)N(CC)CC2CC2)C[C@H]1CC ZINC000183901732 442974573 /nfs/dbraw/zinc/97/45/73/442974573.db2.gz LGCZPNBVOKGQLR-MRXNPFEDSA-N 0 0 347.525 1.396 10 0 EDAERN C[C@H]1C(=O)NCCC[N@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195231561 442999508 /nfs/dbraw/zinc/99/95/08/442999508.db2.gz NKOLVAJFUDOPHU-GUYCJALGSA-N 0 0 325.453 1.844 10 0 EDAERN CC(C)COCCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000195176485 442993561 /nfs/dbraw/zinc/99/35/61/442993561.db2.gz RXQOMDSPKTVJRR-ZDUSSCGKSA-N 0 0 332.400 1.850 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCC[C@H](n2cncn2)C1 ZINC000184271758 443008073 /nfs/dbraw/zinc/00/80/73/443008073.db2.gz UTBYRLQWNLDVML-AWEZNQCLSA-N 0 0 325.372 1.179 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](O)C2(C)C)C1 ZINC000250117620 443010329 /nfs/dbraw/zinc/01/03/29/443010329.db2.gz URLDWACDIOYSDI-QNWHQSFQSA-N 0 0 326.437 1.955 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CCO2)cn1 ZINC000250741852 443013572 /nfs/dbraw/zinc/01/35/72/443013572.db2.gz QBERYAYXDUCJKZ-OCVGTWLNSA-N 0 0 336.436 1.942 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OC[C@@H]2CCCCO2)C1 ZINC000195405418 443015997 /nfs/dbraw/zinc/01/59/97/443015997.db2.gz ARFGKKCGTCKSPZ-XHSDSOJGSA-N 0 0 340.464 1.868 10 0 EDAERN COC(=O)C[C@H](NC(=O)CCCCc1c[nH]nn1)c1ccccc1 ZINC000184612357 443049317 /nfs/dbraw/zinc/04/93/17/443049317.db2.gz KLZRMAGCAGDUKP-HNNXBMFYSA-N 0 0 330.388 1.938 10 0 EDAERN COCc1cccc(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000189935203 443032906 /nfs/dbraw/zinc/03/29/06/443032906.db2.gz WESZZKHREFFRHU-MAUKXSAKSA-N 0 0 332.444 1.555 10 0 EDAERN Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)[C@@H]2CCOC2)c(C)[nH]1 ZINC000252527522 443041278 /nfs/dbraw/zinc/04/12/78/443041278.db2.gz CTVZTAVBLZASPI-NVXWUHKLSA-N 0 0 335.448 1.327 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000184870660 443089599 /nfs/dbraw/zinc/08/95/99/443089599.db2.gz RQPPPATVPHSICL-KRWDZBQOSA-N 0 0 349.450 1.955 10 0 EDAERN COc1ccc(CCCNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000190388098 443098391 /nfs/dbraw/zinc/09/83/91/443098391.db2.gz YKLJCUMDIFTMIL-UHFFFAOYSA-N 0 0 331.416 1.548 10 0 EDAERN O=C(OCc1ccccc1Br)O[C@@H]1CC(=O)NC1=O ZINC000231457255 443135588 /nfs/dbraw/zinc/13/55/88/443135588.db2.gz ITJZGFNTDCMKMW-SECBINFHSA-N 0 0 328.118 1.517 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 ZINC000184940178 443103166 /nfs/dbraw/zinc/10/31/66/443103166.db2.gz GNNCUCAMUJKKFU-IRXDYDNUSA-N 0 0 349.475 1.860 10 0 EDAERN Cn1nccc1CC(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000225477285 443105996 /nfs/dbraw/zinc/10/59/96/443105996.db2.gz QNQVGZFLXQPEFH-WMZOPIPTSA-N 0 0 328.416 1.151 10 0 EDAERN COCC(=O)N[C@H]1CCC12CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000257182787 443118510 /nfs/dbraw/zinc/11/85/10/443118510.db2.gz QDIFGKYBBAVPRK-INIZCTEOSA-N 0 0 348.418 1.902 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc(COc3ccccc3F)on2)C1 ZINC000190513886 443123470 /nfs/dbraw/zinc/12/34/70/443123470.db2.gz GOFCDAQKANXCGT-UHFFFAOYSA-N 0 0 333.319 1.353 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CCO2)[nH]1 ZINC000185927669 443284972 /nfs/dbraw/zinc/28/49/72/443284972.db2.gz ZJGXKLVWDFCMMV-ZDUSSCGKSA-N 0 0 339.359 1.112 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)Nc3cccnc3OC)CCO2)cn1 ZINC000191400887 443290913 /nfs/dbraw/zinc/29/09/13/443290913.db2.gz UKFYGZJZPRGHMB-AWEZNQCLSA-N 0 0 331.376 1.912 10 0 EDAERN CC(=O)NC1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000191484584 443301548 /nfs/dbraw/zinc/30/15/48/443301548.db2.gz QTTNJCSVBCQGKD-CYBMUJFWSA-N 0 0 331.199 1.764 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000191495665 443303229 /nfs/dbraw/zinc/30/32/29/443303229.db2.gz UFEUGDPOLWOBJS-UHFFFAOYSA-N 0 0 337.379 1.899 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCN1CCOC ZINC000186016936 443298112 /nfs/dbraw/zinc/29/81/12/443298112.db2.gz JWONUKIERMUQRS-CQSZACIVSA-N 0 0 327.450 1.000 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)nc(=O)[nH]2)cn1 ZINC000275469237 443627774 /nfs/dbraw/zinc/62/77/74/443627774.db2.gz SLHMCINJQNKOMH-SMDDNHRTSA-N 0 0 330.344 1.154 10 0 EDAERN Cc1cc[nH]c(=O)c1C(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000328609071 444392446 /nfs/dbraw/zinc/39/24/46/444392446.db2.gz CEJHCZDYEYNFAX-NSHDSACASA-N 0 0 332.360 1.816 10 0 EDAERN C[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173450 450433819 /nfs/dbraw/zinc/43/38/19/450433819.db2.gz GAWFSLKIZXZQIF-DGCLKSJQSA-N 0 0 344.419 1.837 10 0 EDAERN O[C@]1(Cn2ccnn2)CCCN(c2nc(C3CCCC3)ns2)C1 ZINC000575603575 447865753 /nfs/dbraw/zinc/86/57/53/447865753.db2.gz GJLCXCNJRGBFBU-OAHLLOKOSA-N 0 0 334.449 1.819 10 0 EDAERN CSc1ccc(S(N)(=O)=O)c(I)c1C ZINC000575710619 447882448 /nfs/dbraw/zinc/88/24/48/447882448.db2.gz ZHWGBUQILCXQGC-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN CCOc1cc(N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)ncn1 ZINC000583616792 448443213 /nfs/dbraw/zinc/44/32/13/448443213.db2.gz DETLWWSSESTMRE-MRXNPFEDSA-N 0 0 332.408 1.536 10 0 EDAERN Cc1ccccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583616509 448443919 /nfs/dbraw/zinc/44/39/19/448443919.db2.gz CQIIFOIRPCMEHK-PBHICJAKSA-N 0 0 345.424 1.640 10 0 EDAERN O[C@@]1(c2cn[nH]n2)CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000583617957 448446200 /nfs/dbraw/zinc/44/62/00/448446200.db2.gz NKEYYVRHQZMAOM-KRWDZBQOSA-N 0 0 325.372 1.943 10 0 EDAERN CCc1ncc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)[nH]1 ZINC000583622198 448452799 /nfs/dbraw/zinc/45/27/99/448452799.db2.gz WWDJXAHQGBSNQN-WCQYABFASA-N 0 0 346.435 1.705 10 0 EDAERN F[C@H]1C[C@@H](CNc2ccnc(C3CC3)n2)N(Cc2cncnc2)C1 ZINC000583622101 448453490 /nfs/dbraw/zinc/45/34/90/448453490.db2.gz NJKZNADHCMUKHO-GJZGRUSLSA-N 0 0 328.395 2.169 10 0 EDAERN CNc1cc(C(=O)N2CCC[C@H](c3ccccc3OC)C2)cnn1 ZINC000584606230 448583688 /nfs/dbraw/zinc/58/36/88/448583688.db2.gz ORVJIHUFJITNOL-ZDUSSCGKSA-N 0 0 326.400 2.547 10 0 EDAERN CCOC[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1c1cnn(C)c1 ZINC000585655691 448737230 /nfs/dbraw/zinc/73/72/30/448737230.db2.gz GUPWHHQBMFUEGF-HOCLYGCPSA-N 0 0 330.388 1.413 10 0 EDAERN CCOc1cc(N2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)ncn1 ZINC000547680774 448914122 /nfs/dbraw/zinc/91/41/22/448914122.db2.gz BCGZCRUBHSPVAW-INIZCTEOSA-N 0 0 347.444 1.882 10 0 EDAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1c(Cl)cccc1Cl ZINC000625594505 450442310 /nfs/dbraw/zinc/44/23/10/450442310.db2.gz FIXGIDOWIMCOEC-VHSXEESVSA-N 0 0 326.201 1.422 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cnn4ccc(C)cc34)C[C@@H](C)O2)o1 ZINC000619284699 450445753 /nfs/dbraw/zinc/44/57/53/450445753.db2.gz SRCITJBGPDKVDN-IAQYHMDHSA-N 0 0 341.371 1.936 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@H]1c1cc2ccccc2nn1 ZINC000616583958 450453747 /nfs/dbraw/zinc/45/37/47/450453747.db2.gz LVZHLCQJTYWGGK-KRWDZBQOSA-N 0 0 340.408 1.781 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@H](c2ccccc2CCO)C1 ZINC000616643849 450456769 /nfs/dbraw/zinc/45/67/69/450456769.db2.gz CWGIAPVAEJTPQI-SFHVURJKSA-N 0 0 347.436 1.984 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2cccc3ccnnc32)Cc2ccccc21 ZINC000616674407 450458388 /nfs/dbraw/zinc/45/83/88/450458388.db2.gz GTYCWHZJPXBTLR-AWEZNQCLSA-N 0 0 340.408 1.980 10 0 EDAERN Nc1cccc([C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000616664248 450458723 /nfs/dbraw/zinc/45/87/23/450458723.db2.gz YIUPIVRKIUNOSI-ZDUSSCGKSA-N 0 0 333.413 1.469 10 0 EDAERN CCOC(=O)c1ccc([C@@H]2COCCN(S(C)(=O)=O)C2)cc1 ZINC000616664450 450458906 /nfs/dbraw/zinc/45/89/06/450458906.db2.gz SVPKPNGCUBYUIR-AWEZNQCLSA-N 0 0 327.402 1.239 10 0 EDAERN COc1ccccc1[C@H](C)CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616771486 450480393 /nfs/dbraw/zinc/48/03/93/450480393.db2.gz WEWDXMTUADTBDU-TXPWEPMLSA-N 0 0 329.400 1.876 10 0 EDAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2ccn[nH]2)CCC(=O)N1C1CC1 ZINC000621001517 450571196 /nfs/dbraw/zinc/57/11/96/450571196.db2.gz QGUGDGZIGQBZJS-ABAIWWIYSA-N 0 0 342.403 1.015 10 0 EDAERN CCn1cc(O[C@@H]2CN(c3nc(C)nc4c3CCCC4)C[C@H]2O)cn1 ZINC000624420722 450843170 /nfs/dbraw/zinc/84/31/70/450843170.db2.gz VROORZMKLLGINV-IAGOWNOFSA-N 0 0 343.431 1.509 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1cccc(F)c1Br ZINC000633919100 451094607 /nfs/dbraw/zinc/09/46/07/451094607.db2.gz YZIBGTZDUYBXHJ-JTQLQIEISA-N 0 0 345.212 1.991 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1cc(F)ccc1Br ZINC000633930597 451114471 /nfs/dbraw/zinc/11/44/71/451114471.db2.gz WJQHHRJQRXXATR-LLVKDONJSA-N 0 0 345.212 1.991 10 0 EDAERN CCn1cc(O[C@@H]2CN(C(=O)c3nc(C(C)C)oc3C)C[C@H]2O)cn1 ZINC000628249879 451195034 /nfs/dbraw/zinc/19/50/34/451195034.db2.gz VEGLNVBHFMGGIP-ZIAGYGMSSA-N 0 0 348.403 1.587 10 0 EDAERN CC(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 ZINC000628260676 451199828 /nfs/dbraw/zinc/19/98/28/451199828.db2.gz QNJVZTCMCGBSNL-HZPDHXFCSA-N 0 0 330.388 1.203 10 0 EDAERN O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccn1 ZINC000075067308 486820281 /nfs/dbraw/zinc/82/02/81/486820281.db2.gz DXKOBTRMUZSFAB-UHFFFAOYSA-N 0 0 345.424 1.665 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NC(C)C ZINC000212355473 485666720 /nfs/dbraw/zinc/66/67/20/485666720.db2.gz UMOQPVLPDIPTHL-CJNGLKHVSA-N 0 0 333.432 1.472 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3ccc4c(c3)NC(=O)CO4)C[C@@H](C)O2)o1 ZINC000668649992 485994186 /nfs/dbraw/zinc/99/41/86/485994186.db2.gz QSKSEMSFXNXRHF-MEBBXXQBSA-N 0 0 344.371 1.671 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccccc1Br ZINC000074774590 486019877 /nfs/dbraw/zinc/01/98/77/486019877.db2.gz BYCLNLIBUZMGCI-NSHDSACASA-N 0 0 327.222 1.852 10 0 EDAERN C[C@@H](C(=O)N[C@H]1CCc2c[nH]nc2C1)N1C(=O)c2ccccc2C1=O ZINC000170191800 486466987 /nfs/dbraw/zinc/46/69/87/486466987.db2.gz AEIVUPVKBQCFID-JQWIXIFHSA-N 0 0 338.367 1.068 10 0 EDAERN O=C(c1cccc(-c2ccoc2)c1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671500795 486628903 /nfs/dbraw/zinc/62/89/03/486628903.db2.gz VXQLRPYSXWIQGO-SFHVURJKSA-N 0 0 338.367 1.815 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000088198489 491193574 /nfs/dbraw/zinc/19/35/74/491193574.db2.gz SKCUPJIPQWXVFX-TZMCWYRMSA-N 0 0 330.363 1.934 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000121053190 490998771 /nfs/dbraw/zinc/99/87/71/490998771.db2.gz MFPLEYIBYGVRIS-CABCVRRESA-N 0 0 341.477 1.981 10 0 EDAERN COc1cc(CN2CCOC[C@H]2CO)c(OC)cc1Br ZINC000168819664 533814138 /nfs/dbraw/zinc/81/41/38/533814138.db2.gz QSOPIMCTJCGONN-LLVKDONJSA-N 0 0 346.221 1.659 10 0 EDAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)N1CCc2ccccc21 ZINC000190296701 533915397 /nfs/dbraw/zinc/91/53/97/533915397.db2.gz VSTXDDZPOOETJP-ZDUSSCGKSA-N 0 0 342.443 1.358 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(N)cc1Br)[C@H]1CCOC1 ZINC000165931019 533966660 /nfs/dbraw/zinc/96/66/60/533966660.db2.gz WBCZFYFLLFBKTR-IUCAKERBSA-N 0 0 349.250 1.735 10 0 EDAERN COc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171399805 534019274 /nfs/dbraw/zinc/01/92/74/534019274.db2.gz GLRDPOGPKWSHRH-CQSZACIVSA-N 0 0 346.362 1.870 10 0 EDAERN C[C@H](O)C[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000154394601 534092265 /nfs/dbraw/zinc/09/22/65/534092265.db2.gz NCGKFHVXWIKKSJ-CWRNSKLLSA-N 0 0 343.431 1.967 10 0 EDAERN Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000153229514 534140925 /nfs/dbraw/zinc/14/09/25/534140925.db2.gz KUSBDXBKBAHWNS-GFCCVEGCSA-N 0 0 339.823 1.424 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)CCSc1cccc(N)c1 ZINC000168715315 534228897 /nfs/dbraw/zinc/22/88/97/534228897.db2.gz CMQRHGOCGVWBPR-APBUJDDRSA-N 0 0 336.504 1.047 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2noc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000173840792 534308446 /nfs/dbraw/zinc/30/84/46/534308446.db2.gz CFCICUSTGXCSPB-CJNGLKHVSA-N 0 0 329.400 1.549 10 0 EDAERN COC(=O)c1coc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000183547718 534313210 /nfs/dbraw/zinc/31/32/10/534313210.db2.gz XTWIJWROALBKOV-UHFFFAOYSA-N 0 0 346.387 1.148 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc4c(c3)nnn4C)C2)no1 ZINC000171561572 534408910 /nfs/dbraw/zinc/40/89/10/534408910.db2.gz CYNQQXJJVVTQLF-LBPRGKRZSA-N 0 0 340.387 1.755 10 0 EDAERN NC(=S)c1cccc(S(=O)(=O)CCn2cc(Cl)cn2)c1 ZINC000163182195 534530482 /nfs/dbraw/zinc/53/04/82/534530482.db2.gz YYEWRUBMCMNCHG-UHFFFAOYSA-N 0 0 329.834 1.645 10 0 EDAERN NC(=S)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000168485749 534529048 /nfs/dbraw/zinc/52/90/48/534529048.db2.gz KFMDEHXYPMAHOY-NSHDSACASA-N 0 0 346.861 1.880 10 0 EDAERN Cc1ccc2oc(N3CCN(C(=O)[C@@H]4CSC(=O)N4)CC3)nc2c1 ZINC000174813567 534537534 /nfs/dbraw/zinc/53/75/34/534537534.db2.gz OEADIPUOEBUREL-LBPRGKRZSA-N 0 0 346.412 1.610 10 0 EDAERN Cc1cccc(C)c1CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000164594246 534658153 /nfs/dbraw/zinc/65/81/53/534658153.db2.gz VAYDIUZVHAGWOD-KRWDZBQOSA-N 0 0 331.460 1.962 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)NC[C@@H]3CCCOC3)CC2)s1 ZINC000171903521 534736125 /nfs/dbraw/zinc/73/61/25/534736125.db2.gz ADWLOGUOTIQASE-AWEZNQCLSA-N 0 0 338.477 1.705 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000154160942 534747700 /nfs/dbraw/zinc/74/77/00/534747700.db2.gz HZVCPEHZFMQMMF-UHFFFAOYSA-N 0 0 341.824 1.609 10 0 EDAERN O=C(Cc1nc2ncccn2n1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178240554 534751819 /nfs/dbraw/zinc/75/18/19/534751819.db2.gz VCNPGKVTQOPGMR-GFCCVEGCSA-N 0 0 349.316 1.957 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cncn1-c1ccc(F)cc1 ZINC000172002158 534778627 /nfs/dbraw/zinc/77/86/27/534778627.db2.gz BZVGHOXEOQSVKG-GFCCVEGCSA-N 0 0 326.335 1.348 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000177618677 534807647 /nfs/dbraw/zinc/80/76/47/534807647.db2.gz WIGHWXIHLUCREI-WCQYABFASA-N 0 0 347.325 1.701 10 0 EDAERN CC(=O)N1CCc2cc(C(=O)N3CCN4CCCC[C@H]4C3)ccc21 ZINC000195079191 534821843 /nfs/dbraw/zinc/82/18/43/534821843.db2.gz OBFOXKOUZJKLTP-KRWDZBQOSA-N 0 0 327.428 1.906 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000119521450 534851693 /nfs/dbraw/zinc/85/16/93/534851693.db2.gz LITYGLSRQXVSQA-UHFFFAOYSA-N 0 0 340.383 1.957 10 0 EDAERN O=c1[n-]cnc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000164236725 534889749 /nfs/dbraw/zinc/88/97/49/534889749.db2.gz UGLQZXKMEOPQRF-ZJUUUORDSA-N 0 0 327.226 1.501 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000189826502 526709501 /nfs/dbraw/zinc/70/95/01/526709501.db2.gz ZROSECDFGGKLJB-NSHDSACASA-N 0 0 344.415 1.626 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173656212 526975747 /nfs/dbraw/zinc/97/57/47/526975747.db2.gz VPNQBYFUNPMGCQ-INIZCTEOSA-N 0 0 342.403 1.783 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000174285189 527371783 /nfs/dbraw/zinc/37/17/83/527371783.db2.gz DFKGNMJAYQIDSI-UONOGXRCSA-N 0 0 334.416 1.182 10 0 EDAERN C/C(=C/c1cccc(Cl)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132569210 527500608 /nfs/dbraw/zinc/50/06/08/527500608.db2.gz XVERUVUQODGMIS-OVHOFWQVSA-N 0 0 338.835 1.553 10 0 EDAERN CC(C)CCn1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)nn1 ZINC000173880463 527877261 /nfs/dbraw/zinc/87/72/61/527877261.db2.gz QMBWMJVZXJWUKE-HOCLYGCPSA-N 0 0 335.452 1.117 10 0 EDAERN CC(C)[C@H]1NC(=O)[C@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168873291 527898063 /nfs/dbraw/zinc/89/80/63/527898063.db2.gz PCNFNBSJWTUEJR-JOYOIKCWSA-N 0 0 340.221 1.716 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000131301645 528011725 /nfs/dbraw/zinc/01/17/25/528011725.db2.gz VPJFCALJPUMORL-UHFFFAOYSA-N 0 0 335.452 1.467 10 0 EDAERN CCOC(=O)[C@H](N)[C@H](O)c1ccc(Br)c2cccnc21 ZINC000166531083 528028366 /nfs/dbraw/zinc/02/83/66/528028366.db2.gz XFAMFUGVBVDXHY-DGCLKSJQSA-N 0 0 339.189 1.921 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@H](C)C(=O)N[C@@H](C)CC)CC2)n1 ZINC000170943534 528255423 /nfs/dbraw/zinc/25/54/23/528255423.db2.gz XARIEACLESLXRT-DZGCQCFKSA-N 0 0 349.479 1.609 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000184397341 528479746 /nfs/dbraw/zinc/47/97/46/528479746.db2.gz JZUPEECNSUFLCC-OAHLLOKOSA-N 0 0 329.404 1.911 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)CC2 ZINC000172577875 528481561 /nfs/dbraw/zinc/48/15/61/528481561.db2.gz YPSGDMOZWLYBHD-UKRRQHHQSA-N 0 0 344.390 1.975 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c(C)c1 ZINC000130731827 528497152 /nfs/dbraw/zinc/49/71/52/528497152.db2.gz KKZVPUZVNKKWPF-CJNGLKHVSA-N 0 0 334.416 2.000 10 0 EDAERN CC(C)[C@@H](O)CC(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000155964458 528616843 /nfs/dbraw/zinc/61/68/43/528616843.db2.gz BKEWWKTUWMHCEU-AWEZNQCLSA-N 0 0 326.418 1.572 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N1CCc2ccccc2C1 ZINC000176562999 528703334 /nfs/dbraw/zinc/70/33/34/528703334.db2.gz VQDNYGWGAQMBBU-DEOSSOPVSA-N 0 0 347.444 1.088 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)NCc1cccs1 ZINC000176566137 528704695 /nfs/dbraw/zinc/70/46/95/528704695.db2.gz LGEWDVVDLPTFSI-STFLBKPXSA-N 0 0 341.462 1.269 10 0 EDAERN CCCOc1cccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000154295666 528749527 /nfs/dbraw/zinc/74/95/27/528749527.db2.gz ZFMGGRIPUBHFRO-HNNXBMFYSA-N 0 0 343.431 1.924 10 0 EDAERN CCCn1ncc(N[C@H](C)C[S@@](C)=O)c(Br)c1=O ZINC000158724876 528885460 /nfs/dbraw/zinc/88/54/60/528885460.db2.gz RFZISFRMELKFML-CVJBHZAOSA-N 0 0 336.255 1.595 10 0 EDAERN CC(C)[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000186851702 528972545 /nfs/dbraw/zinc/97/25/45/528972545.db2.gz IYPIXZJFLQESOE-NSHDSACASA-N 0 0 334.463 1.260 10 0 EDAERN CC(C)NC(=O)[C@@H]1COCCN1Cc1cncc(Br)c1 ZINC000168426925 529146963 /nfs/dbraw/zinc/14/69/63/529146963.db2.gz CWYZIZMZEJBMON-ZDUSSCGKSA-N 0 0 342.237 1.570 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cc(F)ccc2F)CC1 ZINC000181713969 529227558 /nfs/dbraw/zinc/22/75/58/529227558.db2.gz HSISAAYMRBUQBN-CQSZACIVSA-N 0 0 327.375 1.563 10 0 EDAERN CC[C@@H]1C(=O)N[C@@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168875614 529266516 /nfs/dbraw/zinc/26/65/16/529266516.db2.gz NUBOHSZNRMQKKM-GZMMTYOYSA-N 0 0 326.194 1.470 10 0 EDAERN CC[C@H]1CN(C(=O)c2sc(NCCOC)nc2N)CCS1 ZINC000163664509 529285496 /nfs/dbraw/zinc/28/54/96/529285496.db2.gz GWWDMXPEKZPDTI-VIFPVBQESA-N 0 0 330.479 1.751 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191761809 535025520 /nfs/dbraw/zinc/02/55/20/535025520.db2.gz SBTOZIBPFWVSLT-HNNXBMFYSA-N 0 0 336.436 1.499 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(N(C)C)ccn1)CC2 ZINC000195405098 535029474 /nfs/dbraw/zinc/02/94/74/535029474.db2.gz JJLAEESZCYQJSJ-GFCCVEGCSA-N 0 0 328.420 1.607 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N2CCC(CO)CC2)C12CCOCC2 ZINC000185679218 535468746 /nfs/dbraw/zinc/46/87/46/535468746.db2.gz CPKATCWGUKTHSC-LSDHHAIUSA-N 0 0 326.437 1.375 10 0 EDAERN CCS(=O)(=O)NC[C@H]1CN(c2ccc(C(C)C)cc2)C(=O)CO1 ZINC000041418902 535674065 /nfs/dbraw/zinc/67/40/65/535674065.db2.gz PRTDDPDAGQPBCA-HNNXBMFYSA-N 0 0 340.445 1.481 10 0 EDAERN CCCc1c(C(=O)N2CC(NC(=O)C3CC3)C2)[nH]c(C)c1C(C)=O ZINC000189449469 535771707 /nfs/dbraw/zinc/77/17/07/535771707.db2.gz SJMLTFKRLGZAFK-UHFFFAOYSA-N 0 0 331.416 1.829 10 0 EDAERN CCOC(=O)N1CCN(c2ncnc(Oc3cccnc3)c2N)CC1 ZINC000040798324 535779468 /nfs/dbraw/zinc/77/94/68/535779468.db2.gz HOIROMCSOXONJC-UHFFFAOYSA-N 0 0 344.375 1.525 10 0 EDAERN CCN(Cc1c(F)cccc1F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104798181 535779485 /nfs/dbraw/zinc/77/94/85/535779485.db2.gz LHZLLARIFRYGKW-LBPRGKRZSA-N 0 0 327.375 1.827 10 0 EDAERN CCc1nnsc1C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116773397 535865582 /nfs/dbraw/zinc/86/55/82/535865582.db2.gz CQARJMADLMFBIT-GFCCVEGCSA-N 0 0 334.449 1.861 10 0 EDAERN CCn1ncnc1C[S@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000195279256 535908422 /nfs/dbraw/zinc/90/84/22/535908422.db2.gz UZOXUCCNTWJFLG-XCMOZONUSA-N 0 0 334.445 1.813 10 0 EDAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H]2c2ccco2)O1 ZINC000246028282 536090036 /nfs/dbraw/zinc/09/00/36/536090036.db2.gz MGAHACFJLIYGPA-IPYPFGDCSA-N 0 0 335.404 1.762 10 0 EDAERN CN1CCO[C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000074773299 536435022 /nfs/dbraw/zinc/43/50/22/536435022.db2.gz IXCMBEOFZUZVTJ-NSHDSACASA-N 0 0 333.215 1.819 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000188188772 536770201 /nfs/dbraw/zinc/77/02/01/536770201.db2.gz CNPGDNXKXLKYSU-JTQLQIEISA-N 0 0 325.796 1.557 10 0 EDAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc(-n2cccn2)cc1 ZINC000888094724 591024331 /nfs/dbraw/zinc/02/43/31/591024331.db2.gz IGVQFQLEFWVFNF-HZPDHXFCSA-N 0 0 327.384 1.532 10 0 EDAERN O=C(c1coc(CN2CC[C@@H](O)C2)n1)N1CC(Cc2ccco2)C1 ZINC000888095189 591025347 /nfs/dbraw/zinc/02/53/47/591025347.db2.gz MFIZFQJMDNLTHE-CYBMUJFWSA-N 0 0 331.372 1.149 10 0 EDAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ccncc2F)n(C)c1=O ZINC000888098279 591028050 /nfs/dbraw/zinc/02/80/50/591028050.db2.gz DDHZFDDFWPSQQB-BXUZGUMPSA-N 0 0 347.394 1.184 10 0 EDAERN CN(C)C(=O)c1cc(N[C@@H]2CCO[C@H](c3cccnc3)C2)ccn1 ZINC000894080670 591188948 /nfs/dbraw/zinc/18/89/48/591188948.db2.gz NDKVQBCCQUMZGS-WBVHZDCISA-N 0 0 326.400 1.933 10 0 EDAERN Cc1cnc(C)c(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)n1 ZINC000818146607 593674607 /nfs/dbraw/zinc/67/46/07/593674607.db2.gz QXCMNRFWSGCHQV-KRWDZBQOSA-N 0 0 329.404 1.928 10 0 EDAERN CNC(=O)C[C@@]1(O)CCCN(C(=O)c2coc(Br)c2)C1 ZINC000818486312 593700609 /nfs/dbraw/zinc/70/06/09/593700609.db2.gz CNYMLFRWZZMRHL-ZDUSSCGKSA-N 0 0 345.193 1.145 10 0 EDAERN Cc1ccc([C@H](O)CNC(=O)c2cn(C)nc2C2CCOCC2)o1 ZINC000818813487 593721533 /nfs/dbraw/zinc/72/15/33/593721533.db2.gz UFDVSQABMAOZQR-CQSZACIVSA-N 0 0 333.388 1.679 10 0 EDAERN Cn1cc([C@@H]2CCN(C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC000116322912 595889565 /nfs/dbraw/zinc/88/95/65/595889565.db2.gz DUCPFIQHCOUJOF-PBHICJAKSA-N 0 0 349.456 1.347 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCC[S@](=O)C(C)(C)C)C(C)C ZINC000112299321 596103499 /nfs/dbraw/zinc/10/34/99/596103499.db2.gz IZRYVYFREFKHGT-RCDICMHDSA-N 0 0 332.510 1.837 10 0 EDAERN CCn1cc(O[C@@H]2CN(Cc3cnn4ccccc34)C[C@H]2O)cn1 ZINC000862432370 596328340 /nfs/dbraw/zinc/32/83/40/596328340.db2.gz AMVCLCRUDYVYOQ-IAGOWNOFSA-N 0 0 327.388 1.175 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NCc2ccn(-c3ccccc3)n2)cn1 ZINC000862493975 596336353 /nfs/dbraw/zinc/33/63/53/596336353.db2.gz GFPHQQKGFMDDSX-ZWKOTPCHSA-N 0 0 339.399 1.542 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2Cn2nc3cnccn3c2=O)no1 ZINC000132059450 597787537 /nfs/dbraw/zinc/78/75/37/597787537.db2.gz ILAZYWNTDAAKEV-LLVKDONJSA-N 0 0 329.364 1.192 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1ccccc1 ZINC000129437895 597862393 /nfs/dbraw/zinc/86/23/93/597862393.db2.gz BKLZJMRNNCXYJK-CFRMROPGSA-N 0 0 348.428 1.850 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cn1nc(CO)n(C2CC2)c1=S ZINC000133418214 597965726 /nfs/dbraw/zinc/96/57/26/597965726.db2.gz REMMENBLKFWSFD-JTQLQIEISA-N 0 0 342.465 1.861 10 0 EDAERN Cc1occc1-c1nnc(SCc2nnc(C3CC3)n2C)n1N ZINC000130510792 598106073 /nfs/dbraw/zinc/10/60/73/598106073.db2.gz HODGSFKPJNIHKN-UHFFFAOYSA-N 0 0 331.405 1.859 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000193354306 695735930 /nfs/dbraw/zinc/73/59/30/695735930.db2.gz UATVKAJGUIVYGY-OAHLLOKOSA-N 0 0 342.403 1.077 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C#N)C(C)(C)C ZINC000154163027 696775765 /nfs/dbraw/zinc/77/57/65/696775765.db2.gz UTJWCYAWTPCQCE-MFKMUULPSA-N 0 0 342.392 1.974 10 0 EDAERN O=C(NNc1ccccn1)[C@H]1CCC[C@@H]1C(=O)NNc1ccccn1 ZINC000181911056 700149024 /nfs/dbraw/zinc/14/90/24/700149024.db2.gz ZLOOXEQELQUUAW-STQMWFEESA-N 0 0 340.387 1.479 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)OC1CCN(C=O)CC1)C(C)C ZINC000181914249 700174190 /nfs/dbraw/zinc/17/41/90/700174190.db2.gz GEXDDUCJDHUJOU-KRWDZBQOSA-N 0 0 346.427 1.913 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000175398514 697749196 /nfs/dbraw/zinc/74/91/96/697749196.db2.gz WESTXGISHZODEB-NSHDSACASA-N 0 0 334.873 1.487 10 0 EDAERN Cn1cnnc1SCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175702860 697817402 /nfs/dbraw/zinc/81/74/02/697817402.db2.gz JVRMASGLTIRHJX-UHFFFAOYSA-N 0 0 348.432 1.753 10 0 EDAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCn2ccnc2C1 ZINC000081673967 698559662 /nfs/dbraw/zinc/55/96/62/698559662.db2.gz YWLIKRYEFNUDRF-UHFFFAOYSA-N 0 0 333.200 1.789 10 0 EDAERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000185043324 698851243 /nfs/dbraw/zinc/85/12/43/698851243.db2.gz PBYUOQPQGAINGI-CMPYXILNSA-N 0 0 333.388 1.835 10 0 EDAERN COC(=O)[C@@H]1CCCN(CN2C[C@H](c3ccccc3F)CC2=O)C1 ZINC000182686185 700977738 /nfs/dbraw/zinc/97/77/38/700977738.db2.gz LGRUJYVFYRQENW-ZIAGYGMSSA-N 0 0 334.391 1.984 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCCc1nn(C)c2ccccc12)C(C)C ZINC000186202125 704578567 /nfs/dbraw/zinc/57/85/67/704578567.db2.gz HYCDEUCARSPZRN-OAHLLOKOSA-N 0 0 332.404 1.613 10 0 EDAERN COC[C@H](O)CN(C)CC(=O)Nc1ccc(C)cc1Br ZINC000050118234 214045018 /nfs/dbraw/zinc/04/50/18/214045018.db2.gz ABTAUWIOWKOBSL-LLVKDONJSA-N 0 0 345.237 1.635 10 0 EDAERN C[C@@H]1CCCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050636969 214062688 /nfs/dbraw/zinc/06/26/88/214062688.db2.gz MSFCAGPCFZAPLP-SNVBAGLBSA-N 0 0 332.447 1.235 10 0 EDAERN CNc1ncc(S(=O)(=O)N(C)Cc2ccccc2Cl)cn1 ZINC000050692379 214067488 /nfs/dbraw/zinc/06/74/88/214067488.db2.gz DIGBPSWJKQARLN-UHFFFAOYSA-N 0 0 326.809 1.992 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N[C@H]1CCCC[C@H]1O ZINC000052016340 214112991 /nfs/dbraw/zinc/11/29/91/214112991.db2.gz RGEWAQGXBNTQGG-WDEREUQCSA-N 0 0 328.210 1.919 10 0 EDAERN Nc1ncc(Br)cc1C(=O)N1CCC[C@@H]1CCCO ZINC000052783231 214144966 /nfs/dbraw/zinc/14/49/66/214144966.db2.gz HGTUGAJTRWWKMM-SNVBAGLBSA-N 0 0 328.210 1.803 10 0 EDAERN Cc1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000062632617 214725349 /nfs/dbraw/zinc/72/53/49/214725349.db2.gz YDBYJXRXVMJZPU-UHFFFAOYSA-N 0 0 325.415 1.071 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCN1C[C@@H](C)O ZINC000174607730 529381898 /nfs/dbraw/zinc/38/18/98/529381898.db2.gz ZBMXJDOGCHDVLE-HZPDHXFCSA-N 0 0 342.443 1.790 10 0 EDAERN CN(CCOc1ccc(Br)cc1)C(=O)c1nc(N)n[nH]1 ZINC000055167018 214282210 /nfs/dbraw/zinc/28/22/10/214282210.db2.gz BYQAEIDRFBSMSE-UHFFFAOYSA-N 0 0 340.181 1.300 10 0 EDAERN O=C(c1c[nH]nc1-c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173956963 231081181 /nfs/dbraw/zinc/08/11/81/231081181.db2.gz AHVROXPAMPRTBH-OAHLLOKOSA-N 0 0 326.400 1.623 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174036606 231106080 /nfs/dbraw/zinc/10/60/80/231106080.db2.gz IOIDJVSRYALWEC-CQSZACIVSA-N 0 0 331.424 1.218 10 0 EDAERN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000173999126 231095748 /nfs/dbraw/zinc/09/57/48/231095748.db2.gz QQHOIFVJDISVKZ-INIZCTEOSA-N 0 0 336.457 1.271 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000174002412 231095778 /nfs/dbraw/zinc/09/57/78/231095778.db2.gz UJBNNVWRJGOZRF-CQSZACIVSA-N 0 0 340.445 1.099 10 0 EDAERN CCOC(=O)C[C@@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000063130869 214745408 /nfs/dbraw/zinc/74/54/08/214745408.db2.gz KREMHSRMQDJKOH-SNVBAGLBSA-N 0 0 334.415 1.206 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174350834 529459331 /nfs/dbraw/zinc/45/93/31/529459331.db2.gz KTVQDLSFTDZWMZ-CSTKLKAISA-N 0 0 338.473 1.341 10 0 EDAERN CN(C)C(=O)C1(CNC(=O)N2CCC[C@H](n3cncn3)C2)CCCC1 ZINC000174898588 231337900 /nfs/dbraw/zinc/33/79/00/231337900.db2.gz BZDGZNLPRQFEJG-AWEZNQCLSA-N 0 0 348.451 1.273 10 0 EDAERN CCc1cccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000180968484 529545785 /nfs/dbraw/zinc/54/57/85/529545785.db2.gz MLMYGYNYXZOYPZ-HNNXBMFYSA-N 0 0 334.445 1.941 10 0 EDAERN Cn1nccc1CNC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174933531 231348188 /nfs/dbraw/zinc/34/81/88/231348188.db2.gz ZOJBVSBKIRLUGQ-ZDUSSCGKSA-N 0 0 337.424 1.619 10 0 EDAERN CC[C@@H](CSC)Nc1cnn(CCO)c(=O)c1Br ZINC000158818106 529532153 /nfs/dbraw/zinc/53/21/53/529532153.db2.gz QZAXAOTXSJJVOF-QMMMGPOBSA-N 0 0 336.255 1.552 10 0 EDAERN O=C(Nc1ccc(-n2cccn2)nc1)N1CCC[C@H](n2cncn2)C1 ZINC000175044457 231373809 /nfs/dbraw/zinc/37/38/09/231373809.db2.gz JGCRITIKNAZYFM-AWEZNQCLSA-N 0 0 338.375 1.728 10 0 EDAERN Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000049737201 214030658 /nfs/dbraw/zinc/03/06/58/214030658.db2.gz PYBXNKYAOQDNCT-CQSZACIVSA-N 0 0 344.481 1.052 10 0 EDAERN COc1cc(OC)cc(C(=O)NC[C@@H]2Oc3ccccc3NC2=O)c1 ZINC000049738964 214030269 /nfs/dbraw/zinc/03/02/69/214030269.db2.gz GIGPKRNVNHEBOG-INIZCTEOSA-N 0 0 342.351 1.833 10 0 EDAERN Cc1cc(C(=O)N2CCCCCC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000049683020 214026133 /nfs/dbraw/zinc/02/61/33/214026133.db2.gz YJLPUOBPUWLGLC-ZDUSSCGKSA-N 0 0 325.434 1.567 10 0 EDAERN COc1ccccc1-c1nnc(C(=O)N2CCN(C(C)=O)CC2)o1 ZINC000049684374 214025887 /nfs/dbraw/zinc/02/58/87/214025887.db2.gz SHZYHIINSVVOEY-UHFFFAOYSA-N 0 0 330.344 1.050 10 0 EDAERN O=C(c1nn2c(nnc2C2CC2)s1)N1CCC2(CC1)OCCO2 ZINC000049661585 214025044 /nfs/dbraw/zinc/02/50/44/214025044.db2.gz PFNFZLYKMBFGFX-UHFFFAOYSA-N 0 0 335.389 1.042 10 0 EDAERN COCCNC(=O)[C@H](C)Oc1ccc(C=O)cc1Br ZINC000058615331 214598845 /nfs/dbraw/zinc/59/88/45/214598845.db2.gz KWSUZNPNRUYUMC-VIFPVBQESA-N 0 0 330.178 1.792 10 0 EDAERN Cc1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1C(=O)N(C)C ZINC000176030434 231557600 /nfs/dbraw/zinc/55/76/00/231557600.db2.gz QDQVIVLKWJICBS-CQSZACIVSA-N 0 0 342.403 1.945 10 0 EDAERN CCOC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1ccccc1OC ZINC000058949474 214611284 /nfs/dbraw/zinc/61/12/84/214611284.db2.gz UJMSWZVJDGWYQK-ZDUSSCGKSA-N 0 0 332.356 1.302 10 0 EDAERN CC[C@H](C)NC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000155179363 529703081 /nfs/dbraw/zinc/70/30/81/529703081.db2.gz KGPIKWLDWBDUOG-LBPRGKRZSA-N 0 0 346.431 1.242 10 0 EDAERN CCOC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000049452718 214007990 /nfs/dbraw/zinc/00/79/90/214007990.db2.gz DSCCMTFQIFXPJN-UHFFFAOYSA-N 0 0 328.372 1.887 10 0 EDAERN CN(C)c1nc2ccc(NC(=O)N[C@@H]3CCc4ncnn4C3)cc2o1 ZINC000133048433 529805607 /nfs/dbraw/zinc/80/56/07/529805607.db2.gz JVJJCMBYXFCGHX-LLVKDONJSA-N 0 0 341.375 1.622 10 0 EDAERN C[C@H]1CN(C(=O)CN2CCN(c3ccc(F)cc3)C2=O)C[C@H](C)O1 ZINC000049380086 214003405 /nfs/dbraw/zinc/00/34/05/214003405.db2.gz XOZGOMBZKXLBJE-STQMWFEESA-N 0 0 335.379 1.704 10 0 EDAERN COc1ccc(N2CCN(CC(=O)Nc3ccncc3)C2=O)cc1 ZINC000049384352 214003573 /nfs/dbraw/zinc/00/35/73/214003573.db2.gz KRGHTXUHSHQVPD-UHFFFAOYSA-N 0 0 326.356 1.971 10 0 EDAERN O=C(NCCCc1nc2ccccc2[nH]1)N[C@H]1CCCn2ncnc21 ZINC000177320039 231858462 /nfs/dbraw/zinc/85/84/62/231858462.db2.gz GVLTUYWFNDCLLH-AWEZNQCLSA-N 0 0 339.403 1.921 10 0 EDAERN CNC(=O)NC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1CO ZINC000166983220 529880540 /nfs/dbraw/zinc/88/05/40/529880540.db2.gz KPPJPDCJONUYFE-MRVPVSSYSA-N 0 0 345.193 1.473 10 0 EDAERN CNC(=O)[C@@H]1CCCCN1c1ncc(I)cn1 ZINC000159208845 529899737 /nfs/dbraw/zinc/89/97/37/529899737.db2.gz IXTZFZUWMMOPHU-VIFPVBQESA-N 0 0 346.172 1.186 10 0 EDAERN CNC(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000173795242 529945262 /nfs/dbraw/zinc/94/52/62/529945262.db2.gz CHOMTFWOQFGIRO-OAHLLOKOSA-N 0 0 339.399 1.235 10 0 EDAERN CS(=O)(=O)c1cnn(Cc2ccc(Br)cc2N)c1 ZINC000725252271 539388876 /nfs/dbraw/zinc/38/88/76/539388876.db2.gz LJSNZXPTYWQLTR-UHFFFAOYSA-N 0 0 330.207 1.680 10 0 EDAERN Cc1cc(N(C)[C@H]2CCS(=O)(=O)C2)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226526 210146902 /nfs/dbraw/zinc/14/69/02/210146902.db2.gz ICMVGLCJKMXLNO-LBPRGKRZSA-N 0 0 334.397 1.865 10 0 EDAERN C[C@@H]1CN(C(=O)NCCCc2ccccn2)C[C@H]1N1CCOCC1 ZINC000178433055 232164549 /nfs/dbraw/zinc/16/45/49/232164549.db2.gz MJTGVOKQEFFQCK-NVXWUHKLSA-N 0 0 332.448 1.376 10 0 EDAERN O=S(=O)(CCc1ccc2c(c1)CCO2)NC[C@@H]1CCCC[C@@H]1O ZINC000189657367 539518354 /nfs/dbraw/zinc/51/83/54/539518354.db2.gz SZPPZGOLDWGJCZ-HOTGVXAUSA-N 0 0 339.457 1.635 10 0 EDAERN COC(=O)N1CCC[C@@H]1C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000066270834 215030758 /nfs/dbraw/zinc/03/07/58/215030758.db2.gz XSEPFBAEWCUKFE-CQSZACIVSA-N 0 0 348.399 1.819 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000102941110 219242356 /nfs/dbraw/zinc/24/23/56/219242356.db2.gz SWOOFNGEBBEPGO-PWSUYJOCSA-N 0 0 343.474 1.609 10 0 EDAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000248985337 539695519 /nfs/dbraw/zinc/69/55/19/539695519.db2.gz UYGUZRNTMJVDME-UMVBOHGHSA-N 0 0 347.346 1.809 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000103385825 219295683 /nfs/dbraw/zinc/29/56/83/219295683.db2.gz PGXUYUVJHXEREB-LLVKDONJSA-N 0 0 328.434 1.984 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000103435286 219299266 /nfs/dbraw/zinc/29/92/66/219299266.db2.gz WACSCAKNWUEWCE-CPCISQLKSA-N 0 0 332.219 1.991 10 0 EDAERN CCCN[C@@](C)(C[C@@H](C)SCCS(C)(=O)=O)C(=O)OC ZINC000068643601 215324372 /nfs/dbraw/zinc/32/43/72/215324372.db2.gz WRDIALICVYIEBQ-YPMHNXCESA-N 0 0 325.496 1.474 10 0 EDAERN O=C(CNC(=O)c1cccs1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127208657 222809636 /nfs/dbraw/zinc/80/96/36/222809636.db2.gz SDZKQNCIYDVYCQ-GFCCVEGCSA-N 0 0 333.417 1.008 10 0 EDAERN O=C1COc2cc(NS(=O)(=O)c3cn[nH]c3)c(Cl)cc2N1 ZINC000040826697 213391626 /nfs/dbraw/zinc/39/16/26/213391626.db2.gz YILHDFBNLOFZSY-UHFFFAOYSA-N 0 0 328.737 1.195 10 0 EDAERN CCNc1ccc(Cl)c(C(=O)N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000069146297 215364154 /nfs/dbraw/zinc/36/41/54/215364154.db2.gz CXALSNFRSNEXMQ-VIFPVBQESA-N 0 0 331.825 1.474 10 0 EDAERN O=S1(=O)CCC[C@H](Nc2nc(Cl)nc(N3CCCC3)n2)C1 ZINC000069145743 215364686 /nfs/dbraw/zinc/36/46/86/215364686.db2.gz MPJFGEAZTKFEEX-VIFPVBQESA-N 0 0 331.829 1.114 10 0 EDAERN O=C(c1cccc(-n2cccc2)c1)N1CCO[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000040666192 213366207 /nfs/dbraw/zinc/36/62/07/213366207.db2.gz JCYAQHKUAYFNAI-JKSUJKDBSA-N 0 0 346.408 1.115 10 0 EDAERN O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180974503 234049928 /nfs/dbraw/zinc/04/99/28/234049928.db2.gz VVSNTAOPPGDDPB-CQSZACIVSA-N 0 0 338.408 1.659 10 0 EDAERN COc1cc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)on1 ZINC000153264201 539861086 /nfs/dbraw/zinc/86/10/86/539861086.db2.gz HEYCPNPIOZADAE-UHFFFAOYSA-N 0 0 347.419 1.593 10 0 EDAERN CCn1cc(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)ccc1=O ZINC000181523938 234217401 /nfs/dbraw/zinc/21/74/01/234217401.db2.gz UZVJTBBJMOUDTO-CYBMUJFWSA-N 0 0 344.419 1.720 10 0 EDAERN CC[C@@H](NS(=O)(=O)c1ccccc1Br)C(N)=S ZINC000040362848 213293158 /nfs/dbraw/zinc/29/31/58/213293158.db2.gz TYJUEKYPWDQFJS-MRVPVSSYSA-N 0 0 337.264 1.792 10 0 EDAERN C[C@@H]1N=c2sc(C3CC3)cc2=C(SCC(=O)NC2CC2)N1C ZINC000038805672 213227017 /nfs/dbraw/zinc/22/70/17/213227017.db2.gz SHSOCCQMNWSYMW-SECBINFHSA-N 0 0 335.498 1.614 10 0 EDAERN C[C@@H](N[C@H](CO)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000183626065 235171620 /nfs/dbraw/zinc/17/16/20/235171620.db2.gz XURCXVVLLNJUTE-CZUORRHYSA-N 0 0 339.395 1.683 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)C(C)C ZINC000178923447 540114211 /nfs/dbraw/zinc/11/42/11/540114211.db2.gz KOAREZMOVLMEPQ-OAHLLOKOSA-N 0 0 329.404 1.824 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)/C=C/c3ncccc3C)CCO2)c1 ZINC000183608739 235162775 /nfs/dbraw/zinc/16/27/75/235162775.db2.gz YTZJFEMNXOKMQX-JFDDCEBESA-N 0 0 326.400 1.836 10 0 EDAERN C[C@@H](C(=O)NCC[C@H]1CCCCO1)N1C(=O)c2ccccc2C1=O ZINC000182823493 540133818 /nfs/dbraw/zinc/13/38/18/540133818.db2.gz NAVYNSCBRXBAPY-QWHCGFSZSA-N 0 0 330.384 1.747 10 0 EDAERN O=S(=O)(c1ccc2c(c1)OCO2)N1CCC[C@H]1Cn1ccnc1 ZINC000182977976 540134720 /nfs/dbraw/zinc/13/47/20/540134720.db2.gz GBNBLPUYVVFFMK-LBPRGKRZSA-N 0 0 335.385 1.465 10 0 EDAERN O=C(CNC(=O)N(Cc1ccco1)C[C@H]1CCCO1)NCC1CC1 ZINC000183791700 235227236 /nfs/dbraw/zinc/22/72/36/235227236.db2.gz FERUSEKHJIGKCJ-OAHLLOKOSA-N 0 0 335.404 1.496 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000191045803 540173486 /nfs/dbraw/zinc/17/34/86/540173486.db2.gz OCJSUCKDWSEMAS-KBPBESRZSA-N 0 0 349.435 1.434 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3coc(C4CCC4)n3)CCO2)c1 ZINC000192561043 540179666 /nfs/dbraw/zinc/17/96/66/540179666.db2.gz DFAIMEFZMNELIH-CQSZACIVSA-N 0 0 330.388 1.988 10 0 EDAERN C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000046264937 138116111 /nfs/dbraw/zinc/11/61/11/138116111.db2.gz RTRUJVOGIKQQDW-KRWDZBQOSA-N 0 0 346.475 1.235 10 0 EDAERN CC(=O)N[C@H]1CCCN(CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000071952943 138206885 /nfs/dbraw/zinc/20/68/85/138206885.db2.gz IYYMPQRPJCJCKE-KRWDZBQOSA-N 0 0 346.475 1.230 10 0 EDAERN Cc1nnc2n1CCN(C(=O)Cc1ccc(Br)cc1)C2 ZINC000074815915 138239616 /nfs/dbraw/zinc/23/96/16/138239616.db2.gz NBOKMRDQDMYMQQ-UHFFFAOYSA-N 0 0 335.205 1.934 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000077365416 138252354 /nfs/dbraw/zinc/25/23/54/138252354.db2.gz DEFBRQAVFCLXLJ-HUUCEWRRSA-N 0 0 335.423 1.584 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000083741009 138269378 /nfs/dbraw/zinc/26/93/78/138269378.db2.gz FYKMBFXIGAYIST-LLVKDONJSA-N 0 0 346.357 1.311 10 0 EDAERN CS(=O)(=O)c1ccc(OCCc2nc(-c3cnccn3)no2)cc1 ZINC000084510586 138269975 /nfs/dbraw/zinc/26/99/75/138269975.db2.gz UPLIZYIJWVLOOR-UHFFFAOYSA-N 0 0 346.368 1.552 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCOC)CC(F)F ZINC000087250257 138271601 /nfs/dbraw/zinc/27/16/01/138271601.db2.gz AOVKXUGNCMARPN-JTQLQIEISA-N 0 0 331.367 1.599 10 0 EDAERN C[C@@H](CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)N1CCOCC1 ZINC000079506044 138261848 /nfs/dbraw/zinc/26/18/48/138261848.db2.gz DJFKUINNMBWINM-AWEZNQCLSA-N 0 0 345.443 1.415 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cnn(CCOC)c2)cc1 ZINC000080142832 138263753 /nfs/dbraw/zinc/26/37/53/138263753.db2.gz KEMNCVJEXCBTEZ-ZDUSSCGKSA-N 0 0 344.415 1.908 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000081581247 138267059 /nfs/dbraw/zinc/26/70/59/138267059.db2.gz SHEKJGMZMHAGKZ-OLZOCXBDSA-N 0 0 349.435 1.795 10 0 EDAERN Cc1cnn(C[C@H]2CN([C@@H](C)C(=O)NCc3cccs3)CCO2)c1 ZINC000105892079 219582776 /nfs/dbraw/zinc/58/27/76/219582776.db2.gz JVWDEIBHUHMRSO-LSDHHAIUSA-N 0 0 348.472 1.659 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1=O ZINC000093155754 138292312 /nfs/dbraw/zinc/29/23/12/138292312.db2.gz YWVNOOPQUWFXMR-JTQLQIEISA-N 0 0 345.852 1.963 10 0 EDAERN Cc1cc(Br)ccc1NC(=O)CSC[C@H](O)CO ZINC000093958886 138295185 /nfs/dbraw/zinc/29/51/85/138295185.db2.gz UFJBAWWLOHUQRB-SNVBAGLBSA-N 0 0 334.235 1.782 10 0 EDAERN Cc1cnn(CCNC(=O)CCN2C(=O)COc3ccccc32)c1 ZINC000117818005 138312516 /nfs/dbraw/zinc/31/25/16/138312516.db2.gz FAUACHWGZAYJNP-UHFFFAOYSA-N 0 0 328.372 1.123 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(Br)c(F)c2)C1 ZINC000110483786 138307079 /nfs/dbraw/zinc/30/70/79/138307079.db2.gz LVJHNLGYXSVSKH-SNVBAGLBSA-N 0 0 331.185 1.649 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3ccccc3)CCO2)n1 ZINC000105893212 219583408 /nfs/dbraw/zinc/58/34/08/219583408.db2.gz KKFPPIICKMITSR-KRWDZBQOSA-N 0 0 328.416 1.839 10 0 EDAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000125141848 138332420 /nfs/dbraw/zinc/33/24/20/138332420.db2.gz TWEZFFYFJXKXRS-AWEZNQCLSA-N 0 0 330.432 1.907 10 0 EDAERN CC(C)[C@H](C)NC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000125698463 138335695 /nfs/dbraw/zinc/33/56/95/138335695.db2.gz VNJRZVCACWPNIN-ZDUSSCGKSA-N 0 0 327.450 1.450 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000127549934 138338701 /nfs/dbraw/zinc/33/87/01/138338701.db2.gz XGYIXHZHBFGPOL-IAGOWNOFSA-N 0 0 343.427 1.162 10 0 EDAERN Cn1ccc(N2CCC[C@H](N3CC[C@H](Oc4ccncc4)C3)C2=O)n1 ZINC000131884856 138367342 /nfs/dbraw/zinc/36/73/42/138367342.db2.gz DAIAIJKNPZDDQB-HOTGVXAUSA-N 0 0 341.415 1.464 10 0 EDAERN Nc1cc(=O)[nH]c(SCCS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000037022553 213130060 /nfs/dbraw/zinc/13/00/60/213130060.db2.gz XAFDDDARTPYMJZ-UHFFFAOYSA-N 0 0 345.833 1.572 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)c1nnc2n1CCCC2 ZINC000153111811 138489604 /nfs/dbraw/zinc/48/96/04/138489604.db2.gz BQUBNAJNAHETFH-SMDDNHRTSA-N 0 0 347.394 1.847 10 0 EDAERN O=C(NC1CN(C(=O)N[C@H](Cc2ccccc2)C2CC2)C1)C1CC1 ZINC000187180510 236139284 /nfs/dbraw/zinc/13/92/84/236139284.db2.gz NTDBASNGEQFPRP-QGZVFWFLSA-N 0 0 327.428 1.928 10 0 EDAERN O=CN1CCN(C(=O)[C@@H](Cc2cccnc2)c2ccc(F)cc2)CC1 ZINC000036152050 213072840 /nfs/dbraw/zinc/07/28/40/213072840.db2.gz HUEXPIXKCXYNPJ-SFHVURJKSA-N 0 0 341.386 1.848 10 0 EDAERN NS(=O)(=O)c1ccc2c(c1)CN(C(=O)COc1ccccc1)CC2 ZINC000036135621 213073420 /nfs/dbraw/zinc/07/34/20/213073420.db2.gz MFFYDHURJLUZQE-UHFFFAOYSA-N 0 0 346.408 1.298 10 0 EDAERN CCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000036139320 213072938 /nfs/dbraw/zinc/07/29/38/213072938.db2.gz OUIQZJNFFDEGOV-UHFFFAOYSA-N 0 0 341.458 1.057 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)c2ccc(F)c(C)c2)C[C@@H]1C ZINC000036124108 213070020 /nfs/dbraw/zinc/07/00/20/213070020.db2.gz RSMOXQDMMCJCHS-KBPBESRZSA-N 0 0 344.452 1.864 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)c2ccc(F)cc2C)C[C@H]1C ZINC000036124115 213069828 /nfs/dbraw/zinc/06/98/28/213069828.db2.gz FFQBEAAOTDHIAO-ZIAGYGMSSA-N 0 0 344.452 1.864 10 0 EDAERN COc1cc2c(cc1OC)[C@@](O)(CNC(=O)c1ccncc1)CC2 ZINC000036137369 213072705 /nfs/dbraw/zinc/07/27/05/213072705.db2.gz QYCCQUJFVSQDBD-SFHVURJKSA-N 0 0 328.368 1.663 10 0 EDAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187450086 236213897 /nfs/dbraw/zinc/21/38/97/236213897.db2.gz DKNYIZCZYQPZIM-GUTXKFCHSA-N 0 0 349.456 1.229 10 0 EDAERN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cccnc1 ZINC000036101560 213067697 /nfs/dbraw/zinc/06/76/97/213067697.db2.gz ZGIYWDVBVVADNY-UHFFFAOYSA-N 0 0 347.396 1.882 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C(C)(C)CO1 ZINC000036102803 213067401 /nfs/dbraw/zinc/06/74/01/213067401.db2.gz HCXOENYYVCMESX-VIFPVBQESA-N 0 0 326.374 1.721 10 0 EDAERN CCS(=O)(=O)NC[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C)C ZINC000036100450 213066598 /nfs/dbraw/zinc/06/65/98/213066598.db2.gz FURUNBGNYNKRHM-LBPRGKRZSA-N 0 0 346.449 1.254 10 0 EDAERN O=C(c1nc(Br)cs1)N1CCC[C@H](n2cncn2)C1 ZINC000187491700 236225220 /nfs/dbraw/zinc/22/52/20/236225220.db2.gz SKVSXVUGBNCDEE-QMMMGPOBSA-N 0 0 342.222 1.974 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c(C)c1 ZINC000188014690 236384797 /nfs/dbraw/zinc/38/47/97/236384797.db2.gz IAIHXJSRDQQICH-UHFFFAOYSA-N 0 0 329.400 1.369 10 0 EDAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188017503 236386052 /nfs/dbraw/zinc/38/60/52/236386052.db2.gz ZZOJEVWMFIXOOQ-UHFFFAOYSA-N 0 0 333.363 1.200 10 0 EDAERN C[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)[C@H](C)N1CCOCC1 ZINC000159211779 138635658 /nfs/dbraw/zinc/63/56/58/138635658.db2.gz LSENYQIPXLFSEK-GJZGRUSLSA-N 0 0 349.479 1.418 10 0 EDAERN O=S(=O)(c1ccccc1N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000035233242 213015713 /nfs/dbraw/zinc/01/57/13/213015713.db2.gz RTMWEVLSFXIKRK-MRVPVSSYSA-N 0 0 343.348 1.579 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000171578636 138657984 /nfs/dbraw/zinc/65/79/84/138657984.db2.gz ZTOHHFMNPVJIFW-HNNXBMFYSA-N 0 0 328.372 1.723 10 0 EDAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(N)c(Br)c1 ZINC000071395349 215769363 /nfs/dbraw/zinc/76/93/63/215769363.db2.gz QDWGZTPCUMYUGH-LBPRGKRZSA-N 0 0 340.221 1.724 10 0 EDAERN CCN1CCN(C(=O)COc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000034934949 213001470 /nfs/dbraw/zinc/00/14/70/213001470.db2.gz IPMVYWQMMHXRLG-UHFFFAOYSA-N 0 0 338.276 1.925 10 0 EDAERN O=C(CNC(=O)OCc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000175711593 138698967 /nfs/dbraw/zinc/69/89/67/138698967.db2.gz PFMGXRAYVAQBEH-ZDUSSCGKSA-N 0 0 329.360 1.156 10 0 EDAERN COCCCS(=O)(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000177611162 138731792 /nfs/dbraw/zinc/73/17/92/138731792.db2.gz BTVJELZZTSLVFX-UHFFFAOYSA-N 0 0 331.438 1.918 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCCNC(=O)c1ccc(F)cc1)C(C)C ZINC000178720117 138744967 /nfs/dbraw/zinc/74/49/67/138744967.db2.gz XQLRKFZOKBCQOD-OAHLLOKOSA-N 0 0 337.395 1.223 10 0 EDAERN COCc1noc(CN2CCN(C[C@](C)(O)c3ccccc3)CC2)n1 ZINC000189616884 237077357 /nfs/dbraw/zinc/07/73/57/237077357.db2.gz FDNYSWBTLBCDPN-SFHVURJKSA-N 0 0 346.431 1.241 10 0 EDAERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCCn2ncnc21 ZINC000177531553 237391174 /nfs/dbraw/zinc/39/11/74/237391174.db2.gz LXBDRBRQFHMVBT-HNNXBMFYSA-N 0 0 339.399 1.820 10 0 EDAERN CC(C)N(C(=O)N1CCc2c(ncnc2N2CCOCC2)C1)C(C)C ZINC000072173979 216064610 /nfs/dbraw/zinc/06/46/10/216064610.db2.gz SVVLCTMLDQZRAD-UHFFFAOYSA-N 0 0 347.463 1.910 10 0 EDAERN Cc1nn(C)c(C)c1CNS(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072238918 216077981 /nfs/dbraw/zinc/07/79/81/216077981.db2.gz KGZOLJQVLODXOM-UHFFFAOYSA-N 0 0 346.416 1.096 10 0 EDAERN Cn1nccc1C1CCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CC1 ZINC000182458104 138776423 /nfs/dbraw/zinc/77/64/23/138776423.db2.gz GEKZBYXMSAPVDO-UHFFFAOYSA-N 0 0 338.411 1.863 10 0 EDAERN NC(=O)[C@H](NC1CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000037870384 213171644 /nfs/dbraw/zinc/17/16/44/213171644.db2.gz KJXHMHGRNGCUJL-LLVKDONJSA-N 0 0 327.178 1.499 10 0 EDAERN COc1cc(Br)c([C@H](NC2CC2)C(N)=O)cc1OC ZINC000037895139 213172419 /nfs/dbraw/zinc/17/24/19/213172419.db2.gz AKYUPKMAHFBSFT-LBPRGKRZSA-N 0 0 329.194 1.745 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190148137 238249242 /nfs/dbraw/zinc/24/92/42/238249242.db2.gz RYEKWHONKJLJCW-AWEZNQCLSA-N 0 0 343.387 1.109 10 0 EDAERN COCCCCS(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000185718601 138807986 /nfs/dbraw/zinc/80/79/86/138807986.db2.gz YIOIXOFVMHXCFM-GFCCVEGCSA-N 0 0 330.454 1.062 10 0 EDAERN O=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1CCCn2ncnc21 ZINC000130274118 223138890 /nfs/dbraw/zinc/13/88/90/223138890.db2.gz CUIOTNZOVOTBCZ-WMLDXEAASA-N 0 0 327.388 1.246 10 0 EDAERN O=C(NCC1([C@H](O)c2ccccc2)CC1)N[C@H]1CCCn2ncnc21 ZINC000130270066 223139162 /nfs/dbraw/zinc/13/91/62/223139162.db2.gz OZGBOJSCCSFGJW-LSDHHAIUSA-N 0 0 341.415 1.926 10 0 EDAERN O=C(Nc1ccccc1N1CCCC1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130691996 223170245 /nfs/dbraw/zinc/17/02/45/223170245.db2.gz XJGJOWDGFAMRGT-CABCVRRESA-N 0 0 345.443 1.893 10 0 EDAERN C[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)Oc1ccccc1 ZINC000072822343 216310860 /nfs/dbraw/zinc/31/08/60/216310860.db2.gz ORWRROXBHFGUGX-YOEHRIQHSA-N 0 0 341.411 1.850 10 0 EDAERN Cc1cnccc1CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000187782913 138829025 /nfs/dbraw/zinc/82/90/25/138829025.db2.gz UWXFAWUIRDKQGA-AWEZNQCLSA-N 0 0 328.420 1.919 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ccccc2Cl)C1 ZINC000188186880 138833792 /nfs/dbraw/zinc/83/37/92/138833792.db2.gz IXWYSSOPESJGEA-JTQLQIEISA-N 0 0 325.796 1.557 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000188777006 138851730 /nfs/dbraw/zinc/85/17/30/138851730.db2.gz IPKQFMGGGIVBEC-DGCLKSJQSA-N 0 0 346.305 1.548 10 0 EDAERN CN(C)S(=O)(=O)N1CCC(Cn2cc(C3CCCC3)nn2)CC1 ZINC000023379863 212372137 /nfs/dbraw/zinc/37/21/37/212372137.db2.gz WORWVJXHHLSPQU-UHFFFAOYSA-N 0 0 341.481 1.454 10 0 EDAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)Oc1ccccc1F ZINC000188876598 138854581 /nfs/dbraw/zinc/85/45/81/138854581.db2.gz AQJDSIGOFJVAHK-GFCCVEGCSA-N 0 0 349.406 1.903 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@@H](OCCO)C1 ZINC000189019113 138858484 /nfs/dbraw/zinc/85/84/84/138858484.db2.gz OBWRUHYRPSGERA-NVXWUHKLSA-N 0 0 336.432 1.775 10 0 EDAERN Cc1ccc(CN2CCCN(CC(=O)NC(C)C)S2(=O)=O)cc1 ZINC000021629065 212234248 /nfs/dbraw/zinc/23/42/48/212234248.db2.gz NTNFGRINTWIBEG-UHFFFAOYSA-N 0 0 339.461 1.272 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCOCC(F)F)C2)n1 ZINC000190281911 138888281 /nfs/dbraw/zinc/88/82/81/138888281.db2.gz FGXRRDHRWUEXFD-ZDUSSCGKSA-N 0 0 345.394 1.598 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NOC[C@@H]3CCOC3)C2)n1 ZINC000190434734 138891120 /nfs/dbraw/zinc/89/11/20/138891120.db2.gz OPZYZBQPMITSME-LSDHHAIUSA-N 0 0 337.424 1.285 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3ccnc(C)n3)CCO2)cn1 ZINC000191442155 138914162 /nfs/dbraw/zinc/91/41/62/138914162.db2.gz XWYUGJNLYDFUJP-OAHLLOKOSA-N 0 0 330.392 1.285 10 0 EDAERN CC(=O)NC1CN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000191484209 138915362 /nfs/dbraw/zinc/91/53/62/138915362.db2.gz AMRRKRRDMDYUSC-UHFFFAOYSA-N 0 0 331.416 1.061 10 0 EDAERN C[C@@H](O)Cc1cn(CC2CCN(C(=O)Cc3ccn(C)c3)CC2)nn1 ZINC000020119437 212103086 /nfs/dbraw/zinc/10/30/86/212103086.db2.gz PXEOFUJTMKLMME-CQSZACIVSA-N 0 0 345.447 1.021 10 0 EDAERN CCCNC(=O)CN1c2cc(Br)ccc2C(=O)C1=O ZINC000019967179 212091452 /nfs/dbraw/zinc/09/14/52/212091452.db2.gz CITBIAPKKAGNFX-UHFFFAOYSA-N 0 0 325.162 1.505 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)NC1CC1 ZINC000040666429 213366951 /nfs/dbraw/zinc/36/69/51/213366951.db2.gz DQDKLJZKNYBRJP-UHFFFAOYSA-N 0 0 339.417 1.764 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccccc1OC(F)F)[C@H]1CCCO1 ZINC000077868961 216987902 /nfs/dbraw/zinc/98/79/02/216987902.db2.gz XWABFMISBZQZJL-GXSJLCMTSA-N 0 0 328.315 1.910 10 0 EDAERN CCc1nnc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)n1C ZINC000194679539 138998421 /nfs/dbraw/zinc/99/84/21/138998421.db2.gz TVIWHQTVYILKLR-UHFFFAOYSA-N 0 0 345.403 1.559 10 0 EDAERN CCOc1ccc(CN2CCN(Cc3nnnn3C(C)C)CC2)cc1 ZINC000195044498 139005585 /nfs/dbraw/zinc/00/55/85/139005585.db2.gz OUVHKFASLINXJY-UHFFFAOYSA-N 0 0 344.463 1.971 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000195049452 139005645 /nfs/dbraw/zinc/00/56/45/139005645.db2.gz QOXPCRNJAXLWTO-QGZVFWFLSA-N 0 0 327.428 1.799 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195080830 139006575 /nfs/dbraw/zinc/00/65/75/139006575.db2.gz ORQNTHOZSAUFHD-GFCCVEGCSA-N 0 0 330.388 1.145 10 0 EDAERN CS(=O)(=O)N1CCC(Nc2ccc(N)cc2Br)CC1 ZINC000043597055 213589725 /nfs/dbraw/zinc/58/97/25/213589725.db2.gz PIXCNSHEJIIYEW-UHFFFAOYSA-N 0 0 348.266 1.867 10 0 EDAERN CCN(CC(=O)N(C)C)C(=O)c1cc(N)ccc1Br ZINC000045623613 213746062 /nfs/dbraw/zinc/74/60/62/213746062.db2.gz MXYXSTXNZGLZPZ-UHFFFAOYSA-N 0 0 328.210 1.582 10 0 EDAERN CC(C)n1nnnc1CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000195516586 139018762 /nfs/dbraw/zinc/01/87/62/139018762.db2.gz YWIZBWFWAGEVKN-OAHLLOKOSA-N 0 0 346.416 1.599 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)NCc1ccccc1 ZINC000195519851 139019501 /nfs/dbraw/zinc/01/95/01/139019501.db2.gz YOTBPFKMOQQVOJ-CYBMUJFWSA-N 0 0 335.429 1.523 10 0 EDAERN O=C(c1cc(Cl)cc(Br)c1)N1CCO[C@H](CO)C1 ZINC000227770673 139022518 /nfs/dbraw/zinc/02/25/18/139022518.db2.gz QLALQCCITRJLGA-NSHDSACASA-N 0 0 334.597 1.936 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N(C)CC(F)(F)F ZINC000249707376 291548560 /nfs/dbraw/zinc/54/85/60/291548560.db2.gz BLPWOQSBYFWQSB-SRVKXCTJSA-N 0 0 336.354 1.813 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccnc(Cl)c3)CC2)n1 ZINC000110892977 220076832 /nfs/dbraw/zinc/07/68/32/220076832.db2.gz HRMTVPLLSHVNGC-JTQLQIEISA-N 0 0 335.795 1.945 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N(C)c1nccs1 ZINC000247597627 291552838 /nfs/dbraw/zinc/55/28/38/291552838.db2.gz ONNPAQNHHIBOAV-XQQFMLRXSA-N 0 0 337.445 1.912 10 0 EDAERN Cn1cc(N2CC[C@H](N3CCC(c4ccnn4C)CC3)C2=O)cn1 ZINC000111212462 220109761 /nfs/dbraw/zinc/10/97/61/220109761.db2.gz FMVCVRUXOKQQIC-INIZCTEOSA-N 0 0 328.420 1.139 10 0 EDAERN CCn1cnnc1C1CCN(CC(=O)N(C)c2nccs2)CC1 ZINC000111229637 220118319 /nfs/dbraw/zinc/11/83/19/220118319.db2.gz OSPMHZYGMCUZBG-UHFFFAOYSA-N 0 0 334.449 1.597 10 0 EDAERN O=C1[C@@H](N2CCC(Cn3cccn3)CC2)CCN1CC(F)(F)F ZINC000111229241 220117006 /nfs/dbraw/zinc/11/70/06/220117006.db2.gz JJXXSCWKSULKDO-ZDUSSCGKSA-N 0 0 330.354 1.758 10 0 EDAERN CCn1cnnc1C1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000111690720 220180804 /nfs/dbraw/zinc/18/08/04/220180804.db2.gz UYWBOSSYIGJFFB-UHFFFAOYSA-N 0 0 327.432 1.794 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111713368 220184027 /nfs/dbraw/zinc/18/40/27/220184027.db2.gz NAQUOCAGRHXRIX-MRXNPFEDSA-N 0 0 343.387 1.774 10 0 EDAERN O=C(NCCCOc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111808262 220194844 /nfs/dbraw/zinc/19/48/44/220194844.db2.gz VEMHEKXRFMSTJC-KRWDZBQOSA-N 0 0 344.415 1.763 10 0 EDAERN COC[C@@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111852409 220209075 /nfs/dbraw/zinc/20/90/75/220209075.db2.gz SDIJUCOHEHKECN-DLBZAZTESA-N 0 0 344.415 1.681 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3c(C)noc3Cl)CCO2)c1 ZINC000112065012 220238043 /nfs/dbraw/zinc/23/80/43/220238043.db2.gz IVVOHNHDDHSXIO-GFCCVEGCSA-N 0 0 338.795 1.611 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1ccc(F)cc1 ZINC000245627439 139081368 /nfs/dbraw/zinc/08/13/68/139081368.db2.gz GUMJIBVXWPBYBK-RYRKJORJSA-N 0 0 347.434 1.898 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)N[C@H](C)CCOC)CC2)n1 ZINC000112136783 220251571 /nfs/dbraw/zinc/25/15/71/220251571.db2.gz XWMICSBPHCCLOX-CHWSQXEVSA-N 0 0 339.440 1.445 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1S(C)(=O)=O ZINC000083543951 217544539 /nfs/dbraw/zinc/54/45/39/217544539.db2.gz HYAAPBCPAUCYPU-LBPRGKRZSA-N 0 0 349.416 1.647 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083558215 217545236 /nfs/dbraw/zinc/54/52/36/217545236.db2.gz PNIHHWSZRDVXLE-CQSZACIVSA-N 0 0 342.403 1.993 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@](C)(O)c1ccsc1 ZINC000083750197 217555198 /nfs/dbraw/zinc/55/51/98/217555198.db2.gz MLZTUSDCJGJASY-SWLSCSKDSA-N 0 0 335.433 1.690 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(CC)Cc1ccccn1 ZINC000084205259 217585871 /nfs/dbraw/zinc/58/58/71/217585871.db2.gz JMAFIVUNYKRPFA-OAHLLOKOSA-N 0 0 339.461 1.634 10 0 EDAERN O=C([C@@H]1CCOc2ccc(Cl)cc21)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329595922 284495682 /nfs/dbraw/zinc/49/56/82/284495682.db2.gz VQIQRTGYNOFKQT-PWSUYJOCSA-N 0 0 349.774 1.809 10 0 EDAERN COCCNC(=S)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000013798375 211641155 /nfs/dbraw/zinc/64/11/55/211641155.db2.gz LEVSMRFZEFUIQN-UHFFFAOYSA-N 0 0 326.374 1.193 10 0 EDAERN C[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)C[C@H]1N1CCOCC1 ZINC000246440474 139108661 /nfs/dbraw/zinc/10/86/61/139108661.db2.gz LXOBYEFPXJARKC-CRAIPNDOSA-N 0 0 327.432 1.420 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000246477765 139109940 /nfs/dbraw/zinc/10/99/40/139109940.db2.gz LCIOWRDEPULBPB-CVEARBPZSA-N 0 0 338.473 1.645 10 0 EDAERN C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246875569 139125167 /nfs/dbraw/zinc/12/51/67/139125167.db2.gz GIVUCNDDJOILFB-GOEBONIOSA-N 0 0 346.431 1.130 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CCO2)c1 ZINC000246991740 139129897 /nfs/dbraw/zinc/12/98/97/139129897.db2.gz PNXTZCALOWABHP-CAOSSQGBSA-N 0 0 348.447 1.415 10 0 EDAERN CCOC(=O)[C@H](c1ccccc1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247008185 139131209 /nfs/dbraw/zinc/13/12/09/139131209.db2.gz OJCUVBCARYJWHV-CABCVRRESA-N 0 0 330.388 1.791 10 0 EDAERN CN1CCO[C@H](CN[C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000247015270 139131480 /nfs/dbraw/zinc/13/14/80/139131480.db2.gz CJWODJHBKTXDGS-QZTJIDSGSA-N 0 0 331.460 1.660 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(CC)cc1 ZINC000088817144 217770650 /nfs/dbraw/zinc/77/06/50/217770650.db2.gz AEWHECBIPXDBST-CQSZACIVSA-N 0 0 341.415 1.993 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000247062455 139133737 /nfs/dbraw/zinc/13/37/37/139133737.db2.gz VJPIUTBZXBRSFF-LOWVWBTDSA-N 0 0 343.210 1.810 10 0 EDAERN C[C@H](CCO)NC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000247119849 139136504 /nfs/dbraw/zinc/13/65/04/139136504.db2.gz XGLVHPOKKBIRHF-MGPQQGTHSA-N 0 0 341.477 1.580 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000247145698 139137753 /nfs/dbraw/zinc/13/77/53/139137753.db2.gz YFQUSHJMELVJER-LOWVWBTDSA-N 0 0 338.354 1.954 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)Cc2ccc(O)cc2)C[C@@H]1C ZINC000247221253 139141160 /nfs/dbraw/zinc/14/11/60/139141160.db2.gz VMWKYOFEQNIQEN-CABCVRRESA-N 0 0 335.448 1.685 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247654453 139153459 /nfs/dbraw/zinc/15/34/59/139153459.db2.gz XOKBDOVQOCMODK-OAHLLOKOSA-N 0 0 344.481 1.177 10 0 EDAERN CC(C)CCNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000012021299 211279882 /nfs/dbraw/zinc/27/98/82/211279882.db2.gz SGJLJFDRMVSNEV-LBPRGKRZSA-N 0 0 338.429 1.775 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)COc2ccccc2C)n1 ZINC000248485412 139165999 /nfs/dbraw/zinc/16/59/99/139165999.db2.gz KQZYUTIBWBOSJD-CABCVRRESA-N 0 0 333.388 1.500 10 0 EDAERN O=C(Cc1ccccn1)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000011821222 211253032 /nfs/dbraw/zinc/25/30/32/211253032.db2.gz JKIKUWMURQVYRR-SFHVURJKSA-N 0 0 337.423 1.974 10 0 EDAERN CS(=O)(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000011695346 211239199 /nfs/dbraw/zinc/23/91/99/211239199.db2.gz HPQVWWGAQJDNPR-UHFFFAOYSA-N 0 0 336.392 1.364 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](COCC)C(C)C ZINC000248914538 139180638 /nfs/dbraw/zinc/18/06/38/139180638.db2.gz SKWKAIYCOXZUBY-ZIAGYGMSSA-N 0 0 334.482 1.368 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)c3nnnn3C3CCCCC3)CCO2)[nH]1 ZINC000248939511 139181083 /nfs/dbraw/zinc/18/10/83/139181083.db2.gz CJOTYBXFNYYHIL-RISCZKNCSA-N 0 0 346.439 1.739 10 0 EDAERN Cc1ccc2c(c1)C(=O)N(CCS(=O)(=O)NC1CCCC1)C2=O ZINC000009704526 211117253 /nfs/dbraw/zinc/11/72/53/211117253.db2.gz KZQAVXVCAVIDNC-UHFFFAOYSA-N 0 0 336.413 1.453 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000249110673 139185955 /nfs/dbraw/zinc/18/59/55/139185955.db2.gz XTYVLDBDLCWTAL-MIMYLULJSA-N 0 0 326.318 1.944 10 0 EDAERN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1)C2=O ZINC000249069217 139184567 /nfs/dbraw/zinc/18/45/67/139184567.db2.gz XEECQNFYXCHJFJ-LALPHHSUSA-N 0 0 330.384 1.663 10 0 EDAERN CCC(C)(C)NC(=O)CCNS(=O)(=O)c1ccc(OC)cc1 ZINC000009343156 211072068 /nfs/dbraw/zinc/07/20/68/211072068.db2.gz OZGPGGRIMKSKBN-UHFFFAOYSA-N 0 0 328.434 1.668 10 0 EDAERN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCCC1 ZINC000009066566 211038040 /nfs/dbraw/zinc/03/80/40/211038040.db2.gz VZWGYUAIXBNWPX-CQSZACIVSA-N 0 0 326.393 1.601 10 0 EDAERN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC000262291436 296314052 /nfs/dbraw/zinc/31/40/52/296314052.db2.gz HIEOTQFCGRHOEN-CABCVRRESA-N 0 0 346.493 1.072 10 0 EDAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262901677 139311611 /nfs/dbraw/zinc/31/16/11/139311611.db2.gz IGWIUSXABWTNDL-XIRDDKMYSA-N 0 0 346.427 1.342 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)C[C@@H]1C ZINC000173723104 532951993 /nfs/dbraw/zinc/95/19/93/532951993.db2.gz IGMPGQQYAMESPQ-JJRVBVJISA-N 0 0 327.469 1.552 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)ccc2O)ncn1 ZINC000174745517 533053035 /nfs/dbraw/zinc/05/30/35/533053035.db2.gz HMYFAAZYWOGYAP-ZDUSSCGKSA-N 0 0 341.415 1.931 10 0 EDAERN Cc1ccc(-n2[n-]c(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc2=O)cc1 ZINC000263306804 139334819 /nfs/dbraw/zinc/33/48/19/139334819.db2.gz XZJMKNRQSVZSAA-CQSZACIVSA-N 0 0 340.387 1.100 10 0 EDAERN COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@]1(C)CCCS1 ZINC000164926742 533077582 /nfs/dbraw/zinc/07/75/82/533077582.db2.gz XZRHBICMUSZVPC-ZDUSSCGKSA-N 0 0 330.431 1.567 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000167309205 533086827 /nfs/dbraw/zinc/08/68/27/533086827.db2.gz NOLMHHCWLAXFHD-KCJUWKMLSA-N 0 0 328.210 1.729 10 0 EDAERN Cc1[nH]c(C(=O)N[C@H]2CCc3ncnn3C2)c(C)c1C(=O)OC(C)C ZINC000112649611 220364086 /nfs/dbraw/zinc/36/40/86/220364086.db2.gz LDWUEIYJADLCNH-LBPRGKRZSA-N 0 0 345.403 1.533 10 0 EDAERN Cc1csc(N2CCC(C(=O)N[C@H]3CCc4ncnn4C3)CC2)n1 ZINC000112656571 220365609 /nfs/dbraw/zinc/36/56/09/220365609.db2.gz MKSUCMSDSMVNDH-ZDUSSCGKSA-N 0 0 346.460 1.391 10 0 EDAERN O=C(Cc1coc(-c2cccs2)n1)N[C@H]1CCc2ncnn2C1 ZINC000112657036 220366663 /nfs/dbraw/zinc/36/66/63/220366663.db2.gz FUUVYJSPWVSXFJ-JTQLQIEISA-N 0 0 329.385 1.668 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000112662396 220367893 /nfs/dbraw/zinc/36/78/93/220367893.db2.gz ATBGCNDNNABYOJ-ZDUSSCGKSA-N 0 0 342.790 1.862 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)CCC(=O)N1CCOCC1)C2 ZINC000112671245 220369211 /nfs/dbraw/zinc/36/92/11/220369211.db2.gz DMOZFIZUWUKEQF-UHFFFAOYSA-N 0 0 348.447 1.067 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000112725298 220387571 /nfs/dbraw/zinc/38/75/71/220387571.db2.gz RVDJVLHOTIERQX-VIFPVBQESA-N 0 0 337.177 1.491 10 0 EDAERN COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112741050 220392302 /nfs/dbraw/zinc/39/23/02/220392302.db2.gz SSTHBMASEPIMAV-NWDGAFQWSA-N 0 0 345.403 1.671 10 0 EDAERN Cc1cc(C)cc(OCCNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112745835 220395325 /nfs/dbraw/zinc/39/53/25/220395325.db2.gz AZLBDANGCXUCDF-CQSZACIVSA-N 0 0 329.404 1.588 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000188207301 533129827 /nfs/dbraw/zinc/12/98/27/533129827.db2.gz LLCFECDFVGZTSP-CYBMUJFWSA-N 0 0 337.319 1.820 10 0 EDAERN CCC(CC)CS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000113291774 220515509 /nfs/dbraw/zinc/51/55/09/220515509.db2.gz QSJNYKMYKQTECZ-LBPRGKRZSA-N 0 0 344.481 1.823 10 0 EDAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000113892275 220606477 /nfs/dbraw/zinc/60/64/77/220606477.db2.gz PDYDRDSOBIYFQB-SQRWCISFSA-N 0 0 339.399 1.931 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000114838412 220763567 /nfs/dbraw/zinc/76/35/67/220763567.db2.gz ZKYGAPKIXUJRDI-ZIAGYGMSSA-N 0 0 338.452 1.086 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1CCc2ncnn2C1 ZINC000154176868 224214630 /nfs/dbraw/zinc/21/46/30/224214630.db2.gz VNOZVEQPEAQVEM-CVEARBPZSA-N 0 0 325.416 1.913 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCc3ccccc3C1)CC2 ZINC000114977557 220797523 /nfs/dbraw/zinc/79/75/23/220797523.db2.gz CFVBYJIIQOAMKZ-HNNXBMFYSA-N 0 0 325.416 1.923 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@@H]1CC ZINC000116899084 221008271 /nfs/dbraw/zinc/00/82/71/221008271.db2.gz GRKODTINTYSNIJ-HOTGVXAUSA-N 0 0 347.525 1.396 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000116899998 221009503 /nfs/dbraw/zinc/00/95/03/221009503.db2.gz BMOYPXKYHVWUJH-HNNXBMFYSA-N 0 0 334.445 1.996 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccc(C(=O)NC)cc2)C[C@@H]1C ZINC000117438732 221064177 /nfs/dbraw/zinc/06/41/77/221064177.db2.gz DMKNZVQZJNKSAE-AWEZNQCLSA-N 0 0 348.447 1.621 10 0 EDAERN CCOCCN1CCN(C(=O)CNC(=O)c2cccs2)C[C@H]1C ZINC000117279285 221041228 /nfs/dbraw/zinc/04/12/28/221041228.db2.gz NQRKCIPKNJYTKQ-CYBMUJFWSA-N 0 0 339.461 1.047 10 0 EDAERN CCOCCN1CCN(C(=O)CSCc2ccccn2)C[C@H]1C ZINC000117276044 221042107 /nfs/dbraw/zinc/04/21/07/221042107.db2.gz PLXSHTKPLLMCPF-OAHLLOKOSA-N 0 0 337.489 1.884 10 0 EDAERN COCCN1CCN(C(=O)CCc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000117288429 221045441 /nfs/dbraw/zinc/04/54/41/221045441.db2.gz WGMXPBPZKXAZJH-OAHLLOKOSA-N 0 0 348.443 1.585 10 0 EDAERN CCOc1ccc(C(=O)N2CCN(CCOC)[C@@H](C)C2)cc1OC ZINC000117294043 221047855 /nfs/dbraw/zinc/04/78/55/221047855.db2.gz MBRVRKPRRFCTBV-AWEZNQCLSA-N 0 0 336.432 1.887 10 0 EDAERN CC[C@@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCN1CCOC ZINC000117308277 221050638 /nfs/dbraw/zinc/05/06/38/221050638.db2.gz PSMSKTKUVJBMQN-CVEARBPZSA-N 0 0 344.521 1.858 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)C[C@H]1C ZINC000117484471 221070673 /nfs/dbraw/zinc/07/06/73/221070673.db2.gz VMWKYOFEQNIQEN-LSDHHAIUSA-N 0 0 335.448 1.685 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000117522900 221073921 /nfs/dbraw/zinc/07/39/21/221073921.db2.gz MHVFYQVVMGMCFB-INIZCTEOSA-N 0 0 347.459 1.729 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2c(C)cccc2C)CCN1CCOC ZINC000117526404 221074364 /nfs/dbraw/zinc/07/43/64/221074364.db2.gz KWKAFLOVDFFRAJ-INIZCTEOSA-N 0 0 347.459 1.811 10 0 EDAERN CNC(=O)COc1ccc(NC(=O)NCCn2cc(C)cn2)cc1 ZINC000118026829 221107251 /nfs/dbraw/zinc/10/72/51/221107251.db2.gz HNPDQVNHQLJXTI-UHFFFAOYSA-N 0 0 331.376 1.138 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1 ZINC000117810091 221092308 /nfs/dbraw/zinc/09/23/08/221092308.db2.gz YRSGPBYDSLSWIV-CQSZACIVSA-N 0 0 330.388 1.596 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(CN3CCCC3=O)cc2)c1 ZINC000117819108 221092829 /nfs/dbraw/zinc/09/28/29/221092829.db2.gz YJQYELIPMRGHAY-UHFFFAOYSA-N 0 0 326.400 1.744 10 0 EDAERN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCn2cc(C)cn2)C1 ZINC000118077763 221112645 /nfs/dbraw/zinc/11/26/45/221112645.db2.gz WYDWUPGHWJUXQO-JKSUJKDBSA-N 0 0 349.479 1.918 10 0 EDAERN CCCCCc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000118115664 221120808 /nfs/dbraw/zinc/12/08/08/221120808.db2.gz HINDAMKOWWWJSX-QGZVFWFLSA-N 0 0 347.459 1.805 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NOCc1ccccc1 ZINC000154805550 224308835 /nfs/dbraw/zinc/30/88/35/224308835.db2.gz FWYSNDSTVQMHMG-CYBMUJFWSA-N 0 0 331.376 1.690 10 0 EDAERN O=C(NC[C@]1(CCO)CCOC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000119125508 221249856 /nfs/dbraw/zinc/24/98/56/221249856.db2.gz GYLKLONWUUUHEY-IGCXYCKISA-N 0 0 325.355 1.974 10 0 EDAERN O=C(NCCc1ccc(Cl)nc1)N1CCC[C@H](n2cncn2)C1 ZINC000119267609 221280841 /nfs/dbraw/zinc/28/08/41/221280841.db2.gz YGXALKJEQFDJGZ-ZDUSSCGKSA-N 0 0 334.811 1.916 10 0 EDAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000119269803 221281233 /nfs/dbraw/zinc/28/12/33/221281233.db2.gz YOLFGMVCDFRLAG-SRVKXCTJSA-N 0 0 336.440 1.278 10 0 EDAERN COc1cccc(C(C)(C)CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000119366943 221304192 /nfs/dbraw/zinc/30/41/92/221304192.db2.gz WDJYUBFXTDVQSQ-INIZCTEOSA-N 0 0 335.448 1.603 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Cc2c(OC)cccc2OC)CC1 ZINC000119387457 221309171 /nfs/dbraw/zinc/30/91/71/221309171.db2.gz NLCPRWVEJVJHAM-CQSZACIVSA-N 0 0 336.432 1.161 10 0 EDAERN Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000119765607 221396594 /nfs/dbraw/zinc/39/65/94/221396594.db2.gz JPOKGVHRBRJKFD-QWHCGFSZSA-N 0 0 349.435 1.275 10 0 EDAERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000155180603 224372046 /nfs/dbraw/zinc/37/20/46/224372046.db2.gz HVIBVSFXUNHYPS-SWLSCSKDSA-N 0 0 331.420 1.644 10 0 EDAERN Cc1ccnc(O[C@H]2CCOC3(CN(C(=O)c4cnoc4)C3)C2)n1 ZINC000253478423 257658805 /nfs/dbraw/zinc/65/88/05/257658805.db2.gz KWKZZZJFAJWMRG-ZDUSSCGKSA-N 0 0 330.344 1.226 10 0 EDAERN O=C(c1ccncn1)N1CC[C@@]2(C1)C[C@H](Nc1ncccn1)CCO2 ZINC000247852298 257676530 /nfs/dbraw/zinc/67/65/30/257676530.db2.gz JDXKZOBRQRXKBY-DYVFJYSZSA-N 0 0 340.387 1.142 10 0 EDAERN COc1cc(N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)ncn1 ZINC000503717116 257832535 /nfs/dbraw/zinc/83/25/35/257832535.db2.gz PZMCSSIDNAJPOE-SJKOYZFVSA-N 0 0 346.362 1.551 10 0 EDAERN COc1ncccc1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177978260 533265922 /nfs/dbraw/zinc/26/59/22/533265922.db2.gz QJUIKKUOKOECMS-ZDUSSCGKSA-N 0 0 343.387 1.225 10 0 EDAERN CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000153121354 533381678 /nfs/dbraw/zinc/38/16/78/533381678.db2.gz IWIKAPLHKYSXLP-HOTGVXAUSA-N 0 0 342.505 1.991 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165928958 533410676 /nfs/dbraw/zinc/41/06/76/533410676.db2.gz QOSHTIHHTPJBRT-UHFFFAOYSA-N 0 0 341.216 1.759 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(C(N)=S)c(Cl)c1)[C@H]1CCOC1 ZINC000166233760 533482513 /nfs/dbraw/zinc/48/25/13/533482513.db2.gz DGWIRGBCHHHEIB-BDAKNGLRSA-N 0 0 348.877 1.678 10 0 EDAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187453500 296474973 /nfs/dbraw/zinc/47/49/73/296474973.db2.gz XJWDOYPLGGPDEG-BXUZGUMPSA-N 0 0 349.403 1.464 10 0 EDAERN Cc1ccc(=O)n(CC(=O)c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c1 ZINC000071515613 132814405 /nfs/dbraw/zinc/81/44/05/132814405.db2.gz WMAZVMGWSASCAJ-LBPRGKRZSA-N 0 0 326.352 1.783 10 0 EDAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCN(C2CC2)C(=O)C1 ZINC000328656132 140667954 /nfs/dbraw/zinc/66/79/54/140667954.db2.gz NMNBFDZLUCXECT-CQSZACIVSA-N 0 0 345.424 1.972 10 0 EDAERN C[C@H](CC(=O)N1CCO[C@H](c2nccs2)C1)N1CCCCC1=O ZINC000328786837 140675288 /nfs/dbraw/zinc/67/52/88/140675288.db2.gz WVKRYTYYMSPPKM-OLZOCXBDSA-N 0 0 337.445 1.834 10 0 EDAERN CN1C(=O)Cc2cc(NC(=O)N3CCC[C@H](c4nnc[nH]4)C3)ccc21 ZINC000333012161 141249929 /nfs/dbraw/zinc/24/99/29/141249929.db2.gz GAURSRTVHNEBIB-NSHDSACASA-N 0 0 340.387 1.735 10 0 EDAERN O=C(CN1CCC[C@@H](c2nnc[nH]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000333033908 141253026 /nfs/dbraw/zinc/25/30/26/141253026.db2.gz BCJQZSKWYWQZSF-HUUCEWRRSA-N 0 0 341.415 1.104 10 0 EDAERN O=C(NC[C@H]1CCOC2(CCC2)C1)[C@@H]1COCCN1CC1CCC1 ZINC000333131109 141269108 /nfs/dbraw/zinc/26/91/08/141269108.db2.gz WYLZJIPDDGVIKC-IRXDYDNUSA-N 0 0 336.476 1.953 10 0 EDAERN O=C([C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)N1CC(O)(C2CC2)C1 ZINC000333183846 141277416 /nfs/dbraw/zinc/27/74/16/141277416.db2.gz SXKNUGVWKJBDAN-IMJJTQAJSA-N 0 0 342.443 1.597 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CCS(=O)(=O)C[C@H](C)C3)c2)n[nH]1 ZINC000333400687 141312040 /nfs/dbraw/zinc/31/20/40/141312040.db2.gz FHVUKKRBFRUFME-LLVKDONJSA-N 0 0 348.428 1.287 10 0 EDAERN O=C([C@@H]1CCc2cccnc21)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000333476649 141323568 /nfs/dbraw/zinc/32/35/68/141323568.db2.gz ORFDLSHMCOXKLM-HUUCEWRRSA-N 0 0 345.468 1.678 10 0 EDAERN CN(C1CCCCC1)S(=O)(=O)N1CCN(CCC2(O)CC2)CC1 ZINC000333552648 141335873 /nfs/dbraw/zinc/33/58/73/141335873.db2.gz QEJMPERGSNNFQK-UHFFFAOYSA-N 0 0 345.509 1.028 10 0 EDAERN CS(=O)(=O)[C@H]1CCCCN(C(=O)NCCC2CCOCC2)C1 ZINC000333574488 141339293 /nfs/dbraw/zinc/33/92/93/141339293.db2.gz USFFLRADIGUDLT-AWEZNQCLSA-N 0 0 332.466 1.412 10 0 EDAERN O=C([C@@H]1CCCCC(=O)N1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000194404588 304315272 /nfs/dbraw/zinc/31/52/72/304315272.db2.gz LOUGVZCNGDFOMW-LPHOPBHVSA-N 0 0 328.412 1.746 10 0 EDAERN O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCC[C@H]1Cn1ccnc1 ZINC000333712974 141363798 /nfs/dbraw/zinc/36/37/98/141363798.db2.gz TZKWWCDGIKQHIB-KRWDZBQOSA-N 0 0 344.459 1.913 10 0 EDAERN O=C(Nc1ccccc1O[C@H]1CC(=O)N1)N1CCOCC2(CCC2)C1 ZINC000333850252 141394149 /nfs/dbraw/zinc/39/41/49/141394149.db2.gz NHBDNTRRZQYVDR-INIZCTEOSA-N 0 0 345.399 1.946 10 0 EDAERN Cc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC[C@H]3O)C2=O)cc1 ZINC000246524480 148967523 /nfs/dbraw/zinc/96/75/23/148967523.db2.gz XNWVSYKAJZOMLX-HRCADAONSA-N 0 0 331.416 1.703 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)C[S@](C)=O)C12CCOCC2 ZINC000248745087 286367441 /nfs/dbraw/zinc/36/74/41/286367441.db2.gz SBRBFXBTQRVAOX-UNHDLIQDSA-N 0 0 332.466 1.027 10 0 EDAERN Cc1ccc2c(c1)N(S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@H](C)O2 ZINC000177594510 292334899 /nfs/dbraw/zinc/33/48/99/292334899.db2.gz SDAQQJBRJZPPEA-MJBXVCDLSA-N 0 0 340.445 1.936 10 0 EDAERN O=C([C@H]1CC(=O)C[C@@H]1C(=O)N1CCCCCO1)N1CCCCCO1 ZINC000329914049 304411481 /nfs/dbraw/zinc/41/14/81/304411481.db2.gz CGUWOXMKCBRKPT-GJZGRUSLSA-N 0 0 338.404 1.470 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1nc2ccccc2[nH]1 ZINC000171866206 533677252 /nfs/dbraw/zinc/67/72/52/533677252.db2.gz QRLNIQWEBDGGIZ-WDEREUQCSA-N 0 0 325.376 1.530 10 0 EDAERN CC(C)c1ccc([C@@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC000056967699 287231833 /nfs/dbraw/zinc/23/18/33/287231833.db2.gz KDIGBQZQPNJDKF-CYBMUJFWSA-N 0 0 343.431 1.981 10 0 EDAERN COCCCN(C)C(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000066339721 287242658 /nfs/dbraw/zinc/24/26/58/287242658.db2.gz DGJGYJDTIDBRIM-INIZCTEOSA-N 0 0 336.432 1.945 10 0 EDAERN CCc1nnc2ccc(N[C@H]3CCc4nnc(C(C)C)n4C3)nn21 ZINC000171945518 227377808 /nfs/dbraw/zinc/37/78/08/227377808.db2.gz ZSMWYRGZLDZULQ-NSHDSACASA-N 0 0 326.408 1.829 10 0 EDAERN Cc1c(NC(=O)[C@@H]2CC[C@H](C)O2)cccc1S(=O)(=O)NC1CC1 ZINC000157780097 224886646 /nfs/dbraw/zinc/88/66/46/224886646.db2.gz AHGVLCMQBYRQEC-HZMBPMFUSA-N 0 0 338.429 1.942 10 0 EDAERN C[C@H]1OCC[C@@H]1N(C)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000159100021 225147853 /nfs/dbraw/zinc/14/78/53/225147853.db2.gz IVZPKQXQZFMWTJ-SFYZADRCSA-N 0 0 335.838 1.847 10 0 EDAERN COCCc1cc(NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)n(C)n1 ZINC000123083931 287385751 /nfs/dbraw/zinc/38/57/51/287385751.db2.gz SCGSLJHRWLVXSI-GFCCVEGCSA-N 0 0 345.403 1.758 10 0 EDAERN Cc1ccc(C(=O)N2CCO[C@H](C(N)=S)C2)c(Br)c1 ZINC000163681471 226006700 /nfs/dbraw/zinc/00/67/00/226006700.db2.gz QXVXYDKZWBIDSW-NSHDSACASA-N 0 0 343.246 1.885 10 0 EDAERN COCCN(CCO)C(=O)c1cc(N)c(F)cc1Br ZINC000164143788 226048814 /nfs/dbraw/zinc/04/88/14/226048814.db2.gz KMDFNCMHDPDUDN-UHFFFAOYSA-N 0 0 335.173 1.251 10 0 EDAERN Cc1cc(S(=O)(=O)NCCOCC(F)(F)F)cc(N)c1F ZINC000164525558 226080035 /nfs/dbraw/zinc/08/00/35/226080035.db2.gz HTQFGZSVTUJXOF-UHFFFAOYSA-N 0 0 330.303 1.574 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)OC[C@@H]2CCCO2)c1 ZINC000165108524 226109997 /nfs/dbraw/zinc/10/99/97/226109997.db2.gz GHERNDQWZWNDMS-ZETCQYMHSA-N 0 0 337.756 1.462 10 0 EDAERN Cn1ccnc1CCNc1ncc(I)cn1 ZINC000165186951 226113884 /nfs/dbraw/zinc/11/38/84/226113884.db2.gz ZJMHGVJPERLGJR-UHFFFAOYSA-N 0 0 329.145 1.469 10 0 EDAERN Cn1ccnc1CCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165915624 226140817 /nfs/dbraw/zinc/14/08/17/226140817.db2.gz QSIOIKKMBDGBNF-UHFFFAOYSA-N 0 0 349.243 1.830 10 0 EDAERN CCS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc(N)cc(F)c1 ZINC000166097770 226147047 /nfs/dbraw/zinc/14/70/47/226147047.db2.gz WUEVHJBIUKFJPH-GFCCVEGCSA-N 0 0 332.422 1.358 10 0 EDAERN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(N)=S)cc1F ZINC000168429865 226215187 /nfs/dbraw/zinc/21/51/87/226215187.db2.gz AZHAPTVOLMMKBI-UHFFFAOYSA-N 0 0 328.394 1.601 10 0 EDAERN NC(=S)c1c(Br)cccc1NC[C@@H]1CCC(=O)N1 ZINC000168754814 226222462 /nfs/dbraw/zinc/22/24/62/226222462.db2.gz VUYMKWPCOZKEAB-ZETCQYMHSA-N 0 0 328.235 1.774 10 0 EDAERN COc1cc(NC(=O)Cn2ccc(N)n2)ccc1Br ZINC000168807056 226223659 /nfs/dbraw/zinc/22/36/59/226223659.db2.gz HGKKBOMJOHHHDG-UHFFFAOYSA-N 0 0 325.166 1.875 10 0 EDAERN Cc1ccc(NC(=O)CN2CCOC[C@@H]2CO)c(Br)c1 ZINC000168867758 226225185 /nfs/dbraw/zinc/22/51/85/226225185.db2.gz CQEVIQXPDBBCDI-NSHDSACASA-N 0 0 343.221 1.389 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccs1 ZINC000171345010 227029462 /nfs/dbraw/zinc/02/94/62/227029462.db2.gz ZFWPVQHQNXFMAV-QMMMGPOBSA-N 0 0 335.360 1.802 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3ncccc3c2)C1 ZINC000121279132 221804731 /nfs/dbraw/zinc/80/47/31/221804731.db2.gz LFBNLHQZLWUAPI-HNNXBMFYSA-N 0 0 340.383 1.300 10 0 EDAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122206165 222037116 /nfs/dbraw/zinc/03/71/16/222037116.db2.gz SRJGKJLXDAOBKV-JYJNAYRXSA-N 0 0 348.447 1.488 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)CCCNC(=O)c2cccnc2)cn1 ZINC000122427037 222085738 /nfs/dbraw/zinc/08/57/38/222085738.db2.gz WQRVVENTCZKUAJ-MRXNPFEDSA-N 0 0 341.415 1.689 10 0 EDAERN CCC[C@](C)(CO)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000122637266 222128681 /nfs/dbraw/zinc/12/86/81/222128681.db2.gz IDVYKHGOVPOENC-XHDPSFHLSA-N 0 0 325.413 1.110 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000123137050 222221993 /nfs/dbraw/zinc/22/19/93/222221993.db2.gz KQLQRGQUPBZOEG-IFXJQAMLSA-N 0 0 345.443 1.845 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123226385 222239035 /nfs/dbraw/zinc/23/90/35/222239035.db2.gz NYJCVASJSATPPT-OAHLLOKOSA-N 0 0 340.445 1.522 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C1CCCCC1 ZINC000123597846 222303518 /nfs/dbraw/zinc/30/35/18/222303518.db2.gz ZZDMYBQNDFMVEJ-GFCCVEGCSA-N 0 0 349.456 1.905 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)c3cc(N)nc(Cl)c3)CC2)nn1 ZINC000171556088 227139578 /nfs/dbraw/zinc/13/95/78/227139578.db2.gz QZVJWUNNGICUOP-UHFFFAOYSA-N 0 0 346.822 1.768 10 0 EDAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000171628920 227184823 /nfs/dbraw/zinc/18/48/23/227184823.db2.gz OVOWIOFVBAOVHG-NSHDSACASA-N 0 0 332.809 1.592 10 0 EDAERN CN(Cc1nc(-c2ccccc2)c[nH]1)c1cncc(OCCO)n1 ZINC000133358731 287538015 /nfs/dbraw/zinc/53/80/15/287538015.db2.gz CCAJXUPAVPXTAF-UHFFFAOYSA-N 0 0 325.372 1.874 10 0 EDAERN CCCC[C@@H](COC)NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000133331401 287538065 /nfs/dbraw/zinc/53/80/65/287538065.db2.gz RQZXBISQCCXJEK-HOTGVXAUSA-N 0 0 338.452 1.807 10 0 EDAERN C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000136304892 287578279 /nfs/dbraw/zinc/57/82/79/287578279.db2.gz DSQZCDHIRFJDJZ-MLGOLLRUSA-N 0 0 327.384 1.560 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCc1cscn1)CC2 ZINC000152758592 287616139 /nfs/dbraw/zinc/61/61/39/287616139.db2.gz MXXWHYMNNPVISM-NSHDSACASA-N 0 0 334.449 1.715 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCCC(=O)N(C)C)C(C)C ZINC000193506455 272994969 /nfs/dbraw/zinc/99/49/69/272994969.db2.gz QMLSAAZWGZRBGX-KRWDZBQOSA-N 0 0 347.459 1.734 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)Cc3cc(C)on3)CC2)n1 ZINC000174652819 267545193 /nfs/dbraw/zinc/54/51/93/267545193.db2.gz SDVBNHHLMFOGOF-UHFFFAOYSA-N 0 0 331.376 1.063 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1C)C(C)C ZINC000178917835 267597175 /nfs/dbraw/zinc/59/71/75/267597175.db2.gz AYKSNOHGLQJOLK-CQSZACIVSA-N 0 0 334.420 1.589 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1)C(C)C ZINC000179080505 267606440 /nfs/dbraw/zinc/60/64/40/267606440.db2.gz ZRUIDSXINLGVPR-LLVKDONJSA-N 0 0 327.331 1.450 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000191474895 267816745 /nfs/dbraw/zinc/81/67/45/267816745.db2.gz JLYVRJOJTBTDAL-UHFFFAOYSA-N 0 0 329.425 1.623 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000163583357 272931527 /nfs/dbraw/zinc/93/15/27/272931527.db2.gz QRCJHXZBBVBVAB-NSHDSACASA-N 0 0 344.289 1.597 10 0 EDAERN CSCCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173143304 272933244 /nfs/dbraw/zinc/93/32/44/272933244.db2.gz FWCXNIUWLMJORM-GFCCVEGCSA-N 0 0 339.465 1.276 10 0 EDAERN O=C(CCNC(=O)c1cccs1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177780224 272941954 /nfs/dbraw/zinc/94/19/54/272941954.db2.gz DEXIFDIZFPZPQA-CYBMUJFWSA-N 0 0 332.429 1.756 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000245507460 287712185 /nfs/dbraw/zinc/71/21/85/287712185.db2.gz QCPOYHKYAKFODJ-UPJWGTAASA-N 0 0 335.452 1.972 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000248498344 287773054 /nfs/dbraw/zinc/77/30/54/287773054.db2.gz RRLLQAZAQCMQJB-VBQJREDUSA-N 0 0 327.469 1.288 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2CCO)C1 ZINC000249953143 287817373 /nfs/dbraw/zinc/81/73/73/287817373.db2.gz IWWRILBRDUQTCH-MELADBBJSA-N 0 0 326.437 1.911 10 0 EDAERN CC[S@@](=O)c1ccccc1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000176284493 276681505 /nfs/dbraw/zinc/68/15/05/276681505.db2.gz VDQUHRSCFXKRGR-ZAMGYDSWSA-N 0 0 332.429 1.979 10 0 EDAERN COC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Br ZINC000181569124 277063093 /nfs/dbraw/zinc/06/30/93/277063093.db2.gz HILULDOULGOFNR-NXEZZACHSA-N 0 0 343.221 1.777 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc[nH]c(=O)c3)C[C@H]12 ZINC000183252859 277202876 /nfs/dbraw/zinc/20/28/76/277202876.db2.gz INMVQICAYKVAAN-HZSPNIEDSA-N 0 0 347.415 1.750 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)ncn1 ZINC000156737927 277383208 /nfs/dbraw/zinc/38/32/08/277383208.db2.gz WOKLYDYGGUFTCO-CYBMUJFWSA-N 0 0 326.356 1.618 10 0 EDAERN COC[C@H](O)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000152194572 277601060 /nfs/dbraw/zinc/60/10/60/277601060.db2.gz UICIWTHYSUCZGI-CHWSQXEVSA-N 0 0 334.338 1.857 10 0 EDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@@H]1C(N)=O ZINC000330195924 277992542 /nfs/dbraw/zinc/99/25/42/277992542.db2.gz PKTNBWITPBAYGT-CHWSQXEVSA-N 0 0 331.438 1.107 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@@H](C)N2CCOCC2)C[C@]12CCCO2 ZINC000333953918 280045905 /nfs/dbraw/zinc/04/59/05/280045905.db2.gz DTZCORKCVROZSV-HLLBOEOZSA-N 0 0 325.453 1.306 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@]12CCCO2 ZINC000334093944 280047920 /nfs/dbraw/zinc/04/79/20/280047920.db2.gz PYRKQQBELGDKMM-QIIPPGSGSA-N 0 0 335.448 1.787 10 0 EDAERN CC(C)[C@@H]1N(C(=O)c2cn(C)c3c(cnn3C)c2=O)C[C@]12CCCO2 ZINC000329488966 280062145 /nfs/dbraw/zinc/06/21/45/280062145.db2.gz YFCRTMLPYCIUKK-MAUKXSAKSA-N 0 0 344.415 1.302 10 0 EDAERN CC(C)[C@@H]1N(C(=O)c2cn(C3CCOCC3)nn2)C[C@]12CCCO2 ZINC000329461312 280062325 /nfs/dbraw/zinc/06/23/25/280062325.db2.gz PTGGPGUTTIMIGV-DOTOQJQBSA-N 0 0 334.420 1.659 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c2ccc(F)cc2O1 ZINC000246861306 288235236 /nfs/dbraw/zinc/23/52/36/288235236.db2.gz VNHPOYZWRQGKKX-GRYCIOLGSA-N 0 0 344.408 1.767 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)[C@@H](C)C2 ZINC000183179394 281103834 /nfs/dbraw/zinc/10/38/34/281103834.db2.gz OKDHQLIUSYEBJF-YVEFUNNKSA-N 0 0 339.395 1.682 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000174285766 533691966 /nfs/dbraw/zinc/69/19/66/533691966.db2.gz BNERUYHBILXKQM-NWDGAFQWSA-N 0 0 341.249 1.976 10 0 EDAERN CNC(=O)C1CCC(NC(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)CC1 ZINC000333739343 290355420 /nfs/dbraw/zinc/35/54/20/290355420.db2.gz LFBAGVUUWYWZNN-ZUBZBLCWSA-N 0 0 337.464 1.890 10 0 EDAERN Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2cncc(F)c2)[nH]1 ZINC000328729082 293367332 /nfs/dbraw/zinc/36/73/32/293367332.db2.gz HDUQVWTYCJXROF-LBPRGKRZSA-N 0 0 325.369 1.563 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000328725247 302748078 /nfs/dbraw/zinc/74/80/78/302748078.db2.gz BHWJROKJWNFHOF-GJZGRUSLSA-N 0 0 327.450 1.615 10 0 EDAERN Cn1nc(-c2ccccc2)c([C@@H]2NC(=O)[C@H]3COCCN32)c1Cl ZINC000093884702 303040255 /nfs/dbraw/zinc/04/02/55/303040255.db2.gz NWROWXSIFTZXMI-IAQYHMDHSA-N 0 0 332.791 1.570 10 0 EDAERN NC(=O)c1cccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000044697873 440873195 /nfs/dbraw/zinc/87/31/95/440873195.db2.gz UHOUQUAZMZDIDA-AWEZNQCLSA-N 0 0 344.392 1.434 10 0 EDAERN Cc1csc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)n1 ZINC000045352462 440976200 /nfs/dbraw/zinc/97/62/00/440976200.db2.gz ZLJVKUREXANFJJ-UHFFFAOYSA-N 0 0 326.385 1.816 10 0 EDAERN Cc1cccc(OCCN(C)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000046263894 441096719 /nfs/dbraw/zinc/09/67/19/441096719.db2.gz SOPYDROCUPVEFW-INIZCTEOSA-N 0 0 335.448 1.736 10 0 EDAERN COCCc1noc(COC2CCN(C(=O)c3cc(C)n[nH]3)CC2)n1 ZINC000097942495 441146384 /nfs/dbraw/zinc/14/63/84/441146384.db2.gz FVJBWROKSUJWRK-UHFFFAOYSA-N 0 0 349.391 1.111 10 0 EDAERN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC=C[C@@H]1CO ZINC000071759340 441152092 /nfs/dbraw/zinc/15/20/92/441152092.db2.gz VDTGIMJEWBYNIJ-OAHLLOKOSA-N 0 0 342.443 1.939 10 0 EDAERN CCN1CCC[C@H](NC(=O)Nc2ccccc2CS(C)(=O)=O)C1 ZINC000058672476 441207491 /nfs/dbraw/zinc/20/74/91/441207491.db2.gz XFKOQLPQLAKIGB-AWEZNQCLSA-N 0 0 339.461 1.837 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000104780474 441208118 /nfs/dbraw/zinc/20/81/18/441208118.db2.gz GSRTWQGWGMDBRP-KRWDZBQOSA-N 0 0 343.431 1.045 10 0 EDAERN O=C(NCCCc1ccccc1)c1cnc(N2CCOCC2)nc1 ZINC000015777856 441209978 /nfs/dbraw/zinc/20/99/78/441209978.db2.gz NYXBQGUIPNXIRF-UHFFFAOYSA-N 0 0 326.400 1.676 10 0 EDAERN Cc1cc(=O)[nH]c(NNS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000015912490 441212769 /nfs/dbraw/zinc/21/27/69/441212769.db2.gz ROUMKEKOFLNFDH-UHFFFAOYSA-N 0 0 330.369 1.537 10 0 EDAERN O=C(CN1CCC(Nc2cccnn2)CC1)NCc1ccccc1 ZINC000105804705 441274887 /nfs/dbraw/zinc/27/48/87/441274887.db2.gz QDIILKXIKOHWNP-UHFFFAOYSA-N 0 0 325.416 1.669 10 0 EDAERN COCCN1CCN(CC(=O)NCc2cccc(COC)c2)C[C@@H]1C ZINC000105833988 441286679 /nfs/dbraw/zinc/28/66/79/441286679.db2.gz SASBNFCZCLFYTP-INIZCTEOSA-N 0 0 349.475 1.102 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@H](C)C(=O)N(CC)CC)CC2)n1 ZINC000106153650 441327682 /nfs/dbraw/zinc/32/76/82/441327682.db2.gz WPTGFLVISXNWLS-OAHLLOKOSA-N 0 0 349.479 1.563 10 0 EDAERN CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000048985825 441340442 /nfs/dbraw/zinc/34/04/42/441340442.db2.gz VOGXFZRSMUYFJN-LLVKDONJSA-N 0 0 329.356 1.764 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)NCc2ccco2)CC1 ZINC000105865674 441296547 /nfs/dbraw/zinc/29/65/47/441296547.db2.gz ROYLAFXJOBVGJF-UHFFFAOYSA-N 0 0 345.447 1.064 10 0 EDAERN O=C([C@@H]1COc2ccccc2O1)N1CCC(Cn2cccn2)CC1 ZINC000062131108 441297029 /nfs/dbraw/zinc/29/70/29/441297029.db2.gz VCKKKZGJTSOMIB-KRWDZBQOSA-N 0 0 327.384 1.962 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3nccn3C(C)C)CC2)n1 ZINC000105868655 441299121 /nfs/dbraw/zinc/29/91/21/441299121.db2.gz FGIARUOSRIRBFA-UHFFFAOYSA-N 0 0 330.436 1.975 10 0 EDAERN CC(C)CN(C(=O)CN1CCCN(Cc2cnn(C)c2)CC1)C1CC1 ZINC000105869880 441300011 /nfs/dbraw/zinc/30/00/11/441300011.db2.gz LQKJFCHYBSQYER-UHFFFAOYSA-N 0 0 347.507 1.575 10 0 EDAERN CCOC(=O)[C@@H](C)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000105874842 441302588 /nfs/dbraw/zinc/30/25/88/441302588.db2.gz CHIVMOYYXHLADO-ZIAGYGMSSA-N 0 0 326.462 1.971 10 0 EDAERN CCc1nc2n(n1)C[C@H](N[C@H](C)c1nnnn1-c1ccccc1)CC2 ZINC000105873464 441302983 /nfs/dbraw/zinc/30/29/83/441302983.db2.gz DUKAOCLHVLQOFX-CHWSQXEVSA-N 0 0 338.419 1.482 10 0 EDAERN COCCN1CCN(CC(=O)N(C)Cc2ccc(OC)cc2)C[C@@H]1C ZINC000105913839 441315287 /nfs/dbraw/zinc/31/52/87/441315287.db2.gz FFJCPEHJHZTVLH-INIZCTEOSA-N 0 0 349.475 1.306 10 0 EDAERN CCn1cnnc1C1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000107305823 441408268 /nfs/dbraw/zinc/40/82/68/441408268.db2.gz OLDLCBKLEVRPMC-HNNXBMFYSA-N 0 0 331.395 1.843 10 0 EDAERN O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313590 441417024 /nfs/dbraw/zinc/41/70/24/441417024.db2.gz YUEDNMZPKQBBLS-ZDUSSCGKSA-N 0 0 346.818 1.956 10 0 EDAERN Cn1ncc(N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1=O ZINC000065313737 441417438 /nfs/dbraw/zinc/41/74/38/441417438.db2.gz IKNLRYOBYBUJBC-AWEZNQCLSA-N 0 0 344.390 1.452 10 0 EDAERN COCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109088199 441487321 /nfs/dbraw/zinc/48/73/21/441487321.db2.gz SAUUJWCBRYWSPR-OLZOCXBDSA-N 0 0 338.354 1.386 10 0 EDAERN CN1C(=S)N=NC1CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109124574 441488822 /nfs/dbraw/zinc/48/88/22/441488822.db2.gz TYQNKBQNPRRRCK-VHSXEESVSA-N 0 0 338.383 1.844 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C(=O)NC)c1 ZINC000087563502 441493678 /nfs/dbraw/zinc/49/36/78/441493678.db2.gz GWPFMUMKDKXPES-ZDUSSCGKSA-N 0 0 327.388 1.465 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(=O)OC)cc1 ZINC000088197128 441495773 /nfs/dbraw/zinc/49/57/73/441495773.db2.gz VWXFVQWWWNFDDG-ZDUSSCGKSA-N 0 0 328.372 1.892 10 0 EDAERN COC(C)(C)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000075312339 441517030 /nfs/dbraw/zinc/51/70/30/441517030.db2.gz ZENHFKBLHQUEPD-LLVKDONJSA-N 0 0 328.434 1.875 10 0 EDAERN C[C@H](CNS(=O)(=O)Cc1cccc2cccnc21)N1CCOCC1 ZINC000109843430 441510733 /nfs/dbraw/zinc/51/07/33/441510733.db2.gz GYJLFFTZKUJVDL-CQSZACIVSA-N 0 0 349.456 1.375 10 0 EDAERN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000075981599 441574393 /nfs/dbraw/zinc/57/43/93/441574393.db2.gz LEDJMDMYMXWQOA-WWGRRREGSA-N 0 0 348.422 1.888 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000113159807 441584328 /nfs/dbraw/zinc/58/43/28/441584328.db2.gz AUSPDQGXQYVLTH-HNNXBMFYSA-N 0 0 333.363 1.470 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccccc1C(F)(F)F ZINC000113299139 441599995 /nfs/dbraw/zinc/59/99/95/441599995.db2.gz ZFQWNZJCXZDETE-SECBINFHSA-N 0 0 346.334 1.590 10 0 EDAERN CN(C)C(=O)C1(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)CCCC1 ZINC000113412175 441606729 /nfs/dbraw/zinc/60/67/29/441606729.db2.gz IJRVSAUCONETJX-HNNXBMFYSA-N 0 0 347.463 1.915 10 0 EDAERN Cc1nnc(-c2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)o1 ZINC000076241808 441616203 /nfs/dbraw/zinc/61/62/03/441616203.db2.gz XLKQOZINMFMVFR-GHMZBOCLSA-N 0 0 344.371 1.619 10 0 EDAERN COc1cccc(C(=O)N2CCCN(c3cccnn3)CC2)c1F ZINC000090401849 441628087 /nfs/dbraw/zinc/62/80/87/441628087.db2.gz ZHMYXSJLLHPBLW-UHFFFAOYSA-N 0 0 330.363 1.977 10 0 EDAERN Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1 ZINC000115207151 441717963 /nfs/dbraw/zinc/71/79/63/441717963.db2.gz CRHNPGKPHONAHT-SJLPKXTDSA-N 0 0 340.427 1.954 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000091260002 441689682 /nfs/dbraw/zinc/68/96/82/441689682.db2.gz FUOUNCKIWMUBBU-KBPBESRZSA-N 0 0 341.358 1.572 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC)CC2 ZINC000114865493 441693270 /nfs/dbraw/zinc/69/32/70/441693270.db2.gz LWRIUVDCQPJHFK-NWDGAFQWSA-N 0 0 337.424 1.042 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1)CC2 ZINC000114901959 441694704 /nfs/dbraw/zinc/69/47/04/441694704.db2.gz SWIKIZVACJFNHB-ZDUSSCGKSA-N 0 0 343.387 1.764 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(COC)cc1)CC2 ZINC000114926119 441699349 /nfs/dbraw/zinc/69/93/49/441699349.db2.gz HWXMFWHQQMIIFN-HNNXBMFYSA-N 0 0 343.431 1.801 10 0 EDAERN C[C@@H](C(=O)Nc1ccnc2ccnn21)N1C(=O)c2ccccc2C1=O ZINC000076641335 441668573 /nfs/dbraw/zinc/66/85/73/441668573.db2.gz AMTWINMXMPCBCD-JTQLQIEISA-N 0 0 335.323 1.353 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)C2)n1 ZINC000173415184 441741489 /nfs/dbraw/zinc/74/14/89/441741489.db2.gz MQCINFBFSHHPAX-NSHDSACASA-N 0 0 336.417 1.052 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc(F)cc2)ncn1 ZINC000173429201 441747116 /nfs/dbraw/zinc/74/71/16/441747116.db2.gz LMPDPOQSRTZUNF-OAHLLOKOSA-N 0 0 343.406 1.985 10 0 EDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3c(F)cccc3F)C2)cn1 ZINC000116370331 441815340 /nfs/dbraw/zinc/81/53/40/441815340.db2.gz FBPKSKTYLLFVEN-JTQLQIEISA-N 0 0 327.356 1.877 10 0 EDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cn1 ZINC000116371316 441817304 /nfs/dbraw/zinc/81/73/04/441817304.db2.gz JMVBKVBPMGECRM-ZDUSSCGKSA-N 0 0 333.413 1.533 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000173511299 441772963 /nfs/dbraw/zinc/77/29/63/441772963.db2.gz LYFAPHRMDHCXGN-CYBMUJFWSA-N 0 0 331.482 1.079 10 0 EDAERN COc1ccc([C@H](CCO)NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000121786153 441780332 /nfs/dbraw/zinc/78/03/32/441780332.db2.gz VCNILXOUJVHNNB-HIFRSBDPSA-N 0 0 345.403 1.024 10 0 EDAERN CCCCOCCNC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000137891132 441781012 /nfs/dbraw/zinc/78/10/12/441781012.db2.gz JSXBDCIHZLCIBT-GFCCVEGCSA-N 0 0 325.413 1.267 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CCNC(=O)c3cccs3)C2)cn1 ZINC000116123266 441795012 /nfs/dbraw/zinc/79/50/12/441795012.db2.gz AHYUCKBSGPYOJS-LBPRGKRZSA-N 0 0 332.429 1.618 10 0 EDAERN COc1ccccc1CNC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116318442 441811521 /nfs/dbraw/zinc/81/15/21/441811521.db2.gz ITDKEGUIBRHSNP-OAHLLOKOSA-N 0 0 328.416 1.534 10 0 EDAERN CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000142045967 441859340 /nfs/dbraw/zinc/85/93/40/441859340.db2.gz QOAZZKLGKZIHIQ-IHRRRGAJSA-N 0 0 342.823 1.186 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116479806 441825869 /nfs/dbraw/zinc/82/58/69/441825869.db2.gz FEOJQJHHHZPAQM-ZDUSSCGKSA-N 0 0 327.388 1.801 10 0 EDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)CC3CCCCC3)CCO2)[nH]1 ZINC000173738876 441831978 /nfs/dbraw/zinc/83/19/78/441831978.db2.gz WRPVHDCZAKLZSI-ZDUSSCGKSA-N 0 0 342.465 1.651 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(F)c3)C2)cn1 ZINC000116587645 441833124 /nfs/dbraw/zinc/83/31/24/441833124.db2.gz MJKGGZJDZNPQCG-SNVBAGLBSA-N 0 0 334.326 1.653 10 0 EDAERN COCc1ccccc1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173812334 441844821 /nfs/dbraw/zinc/84/48/21/441844821.db2.gz XVPXCWSTZABHID-INIZCTEOSA-N 0 0 329.404 1.971 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCCCSC)CCO2)[nH]1 ZINC000141346670 441850160 /nfs/dbraw/zinc/85/01/60/441850160.db2.gz DHCCCCCJNFFLTN-LLVKDONJSA-N 0 0 327.454 1.593 10 0 EDAERN CCOc1ccc(OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000173860158 441851569 /nfs/dbraw/zinc/85/15/69/441851569.db2.gz IMLMDPIRWSSQRB-QAPCUYQASA-N 0 0 348.443 1.643 10 0 EDAERN CC[C@@H](O)CN1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000118856845 441908794 /nfs/dbraw/zinc/90/87/94/441908794.db2.gz GIAMFZMNMCZCHA-GOEBONIOSA-N 0 0 349.475 1.794 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000124439800 441926555 /nfs/dbraw/zinc/92/65/55/441926555.db2.gz ZLNIMMOVIAPFCV-CZUORRHYSA-N 0 0 346.431 1.654 10 0 EDAERN CCOC(=O)[C@H]1Cc2cccc(OC)c2C[C@H](C(=O)OCC)C1=O ZINC000117921165 441882506 /nfs/dbraw/zinc/88/25/06/441882506.db2.gz NLFFCEGOQWZIQT-KBPBESRZSA-N 0 0 334.368 1.722 10 0 EDAERN Clc1nc2cc(-c3cncnc3)cnc2c(N2CCOCC2)n1 ZINC000144939683 441886030 /nfs/dbraw/zinc/88/60/30/441886030.db2.gz IJRISUZCXJKZLN-UHFFFAOYSA-N 0 0 328.763 1.972 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1cccc(-n2cccn2)c1 ZINC000174748378 441964018 /nfs/dbraw/zinc/96/40/18/441964018.db2.gz ISXKCGVZQOBTLG-RHSMWYFYSA-N 0 0 343.431 1.563 10 0 EDAERN C[C@@H](CS(C)(=O)=O)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174994156 441993193 /nfs/dbraw/zinc/99/31/93/441993193.db2.gz JCLHDHBFKMJGSG-JTQLQIEISA-N 0 0 341.433 1.513 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000175004684 441993804 /nfs/dbraw/zinc/99/38/04/441993804.db2.gz FJBVZFXWCYHXSX-HZPDHXFCSA-N 0 0 335.448 1.612 10 0 EDAERN CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)COCc1ccccc1 ZINC000174906645 441981424 /nfs/dbraw/zinc/98/14/24/441981424.db2.gz LPNDIDMFXWENNH-KGLIPLIRSA-N 0 0 342.461 1.714 10 0 EDAERN C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000174900343 441981592 /nfs/dbraw/zinc/98/15/92/441981592.db2.gz QVRMVOLDOZDBPG-QWHCGFSZSA-N 0 0 328.434 1.324 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(C)s3)C2=O)n(C)n1 ZINC000174977266 441990351 /nfs/dbraw/zinc/99/03/51/441990351.db2.gz SRWHDUDRHGWOOL-CQSZACIVSA-N 0 0 346.456 1.953 10 0 EDAERN O=C(Nc1cnn(CC(F)(F)F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000120148132 442016151 /nfs/dbraw/zinc/01/61/51/442016151.db2.gz RYXWZPUQKNFCCJ-MRVPVSSYSA-N 0 0 329.286 1.173 10 0 EDAERN COCCC1(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000161733058 442027869 /nfs/dbraw/zinc/02/78/69/442027869.db2.gz JEJVDTZLZDNVIN-QGZVFWFLSA-N 0 0 332.444 1.681 10 0 EDAERN O=S(=O)(NCC1CC(O)C1)c1ccc(Br)cc1F ZINC000161878681 442038743 /nfs/dbraw/zinc/03/87/43/442038743.db2.gz BTWBFXQWXLIKBC-UHFFFAOYSA-N 0 0 338.198 1.637 10 0 EDAERN O=C(Nc1ccsc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000125877515 442057504 /nfs/dbraw/zinc/05/75/04/442057504.db2.gz JJEVBBPKGUNJKD-UHFFFAOYSA-N 0 0 331.401 1.580 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCSC(F)(F)F)CCO2)[nH]1 ZINC000175414999 442058788 /nfs/dbraw/zinc/05/87/88/442058788.db2.gz DUIAYMQNDAFZAB-QMMMGPOBSA-N 0 0 339.343 1.449 10 0 EDAERN CCc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1CC ZINC000162364650 442086745 /nfs/dbraw/zinc/08/67/45/442086745.db2.gz FAIHLPPICARNMC-HNNXBMFYSA-N 0 0 326.462 1.420 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)c1ccccc1F ZINC000175581251 442088901 /nfs/dbraw/zinc/08/89/01/442088901.db2.gz HYIHMJMGFOPIIG-KGLIPLIRSA-N 0 0 326.368 1.746 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cn(C)c(=O)cc1C ZINC000162785835 442122817 /nfs/dbraw/zinc/12/28/17/442122817.db2.gz JLKGRXLXERMCCO-AWEZNQCLSA-N 0 0 329.404 1.895 10 0 EDAERN C[C@@H]1CN(C(=O)NCCCNc2ccccn2)C[C@@H]1N1CCOCC1 ZINC000175679355 442103993 /nfs/dbraw/zinc/10/39/93/442103993.db2.gz PUIYHLRJJOYLTG-CVEARBPZSA-N 0 0 347.463 1.246 10 0 EDAERN CC(C)CCn1cc(C(=O)N2CCCN(c3cccnn3)CC2)nn1 ZINC000151690948 442106971 /nfs/dbraw/zinc/10/69/71/442106971.db2.gz RZTJSNOZJCRXTO-UHFFFAOYSA-N 0 0 343.435 1.467 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3ncc(C)s3)CCO2)n1 ZINC000176059176 442168749 /nfs/dbraw/zinc/16/87/49/442168749.db2.gz CWZKQOVWFICMIA-AWEZNQCLSA-N 0 0 349.460 1.875 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000163578572 442175125 /nfs/dbraw/zinc/17/51/25/442175125.db2.gz AICSBJSMFVCPLH-GFCCVEGCSA-N 0 0 342.754 1.972 10 0 EDAERN COC(=O)CCCc1nc(CN2CC[C@H](Oc3cccnc3)C2)no1 ZINC000152224102 442184443 /nfs/dbraw/zinc/18/44/43/442184443.db2.gz WRBWOHIWDBLJBJ-AWEZNQCLSA-N 0 0 346.387 1.614 10 0 EDAERN O=C1[C@H](N2CC[C@H](Oc3cccnc3)C2)CCN1CC(F)(F)F ZINC000152233614 442186151 /nfs/dbraw/zinc/18/61/51/442186151.db2.gz JAKFYIKVOSBHFU-QWHCGFSZSA-N 0 0 329.322 1.698 10 0 EDAERN COc1ccccc1OCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126889270 442151599 /nfs/dbraw/zinc/15/15/99/442151599.db2.gz NJEABJVCCLUBPI-CQSZACIVSA-N 0 0 330.388 1.604 10 0 EDAERN CC[C@@H](NC(=O)N[C@H](C)c1cccs1)C(=O)N1CCOCC1 ZINC000176352677 442213322 /nfs/dbraw/zinc/21/33/22/442213322.db2.gz XWZSNMVSMVCVKU-VXGBXAGGSA-N 0 0 325.434 1.746 10 0 EDAERN Cn1c(CNC(=O)N[C@H]2CCCn3ncnc32)nc2ccccc21 ZINC000176361428 442214701 /nfs/dbraw/zinc/21/47/01/442214701.db2.gz PPFQPYPQLNCDLN-LBPRGKRZSA-N 0 0 325.376 1.499 10 0 EDAERN CCCC(=O)NCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176404324 442218219 /nfs/dbraw/zinc/21/82/19/442218219.db2.gz YUQZKDZNUAZZFL-ZDUSSCGKSA-N 0 0 333.436 1.584 10 0 EDAERN Cc1ccc([C@H]2CCCCN2C(=O)Cn2ccc(=O)n(C)c2=O)o1 ZINC000127662239 442218649 /nfs/dbraw/zinc/21/86/49/442218649.db2.gz HWZIDRFHIIASHI-CYBMUJFWSA-N 0 0 331.372 1.202 10 0 EDAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000127683743 442219874 /nfs/dbraw/zinc/21/98/74/442219874.db2.gz IPHWFKGTHWKPGW-IJLUTSLNSA-N 0 0 335.433 1.466 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)C1=COCCO1 ZINC000176521192 442230641 /nfs/dbraw/zinc/23/06/41/442230641.db2.gz GFWWIUITFOLNSM-ZDUSSCGKSA-N 0 0 338.429 1.468 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)Cc1cnn(C)c1 ZINC000176541125 442232422 /nfs/dbraw/zinc/23/24/22/442232422.db2.gz SATNHELWHXKIPF-OAHLLOKOSA-N 0 0 348.472 1.556 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)c2ccnn2C)N2CCOCC2)s1 ZINC000176548820 442233237 /nfs/dbraw/zinc/23/32/37/442233237.db2.gz HOWQROGBKJXNHR-CQSZACIVSA-N 0 0 334.445 1.593 10 0 EDAERN Cc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000176572046 442235388 /nfs/dbraw/zinc/23/53/88/442235388.db2.gz YLCCKSDALNKLKM-MYODQAERSA-N 0 0 335.433 1.838 10 0 EDAERN O=C(NC1CC1)[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(F)cc1 ZINC000176684363 442246673 /nfs/dbraw/zinc/24/66/73/442246673.db2.gz JTKQBKBYZSSPQB-HUUCEWRRSA-N 0 0 329.379 1.862 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCC(=O)NC ZINC000170797951 442265952 /nfs/dbraw/zinc/26/59/52/442265952.db2.gz ULDBOQSIASAJGN-BBRMVZONSA-N 0 0 333.432 1.426 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)n1 ZINC000176923121 442273663 /nfs/dbraw/zinc/27/36/63/442273663.db2.gz KNCJBPICUZBZIJ-JQWIXIFHSA-N 0 0 330.475 1.838 10 0 EDAERN COc1cccc(OCCCNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000128575135 442275751 /nfs/dbraw/zinc/27/57/51/442275751.db2.gz YODCRBASEQEJIO-CYBMUJFWSA-N 0 0 346.383 1.992 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1sc(C)nc1C ZINC000177006374 442284145 /nfs/dbraw/zinc/28/41/45/442284145.db2.gz JGTQGNZCCXUDPY-SNVBAGLBSA-N 0 0 327.435 1.473 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177146633 442305248 /nfs/dbraw/zinc/30/52/48/442305248.db2.gz CIGUSSDCJHKJSF-OAHLLOKOSA-N 0 0 341.477 1.788 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000177035312 442288410 /nfs/dbraw/zinc/28/84/10/442288410.db2.gz JCQWEMVJGGANLQ-INIZCTEOSA-N 0 0 338.473 1.788 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCNc2ccccn2)C1 ZINC000171011708 442298797 /nfs/dbraw/zinc/29/87/97/442298797.db2.gz DLAHXSBXPZLNCG-HNNXBMFYSA-N 0 0 347.463 1.974 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000177134940 442302585 /nfs/dbraw/zinc/30/25/85/442302585.db2.gz FFSCHQAQZWEMME-CQSZACIVSA-N 0 0 332.400 1.962 10 0 EDAERN O=C(CCNC(=O)N[C@@H]1CCCn2ncnc21)NC1CCCCC1 ZINC000177335095 442329488 /nfs/dbraw/zinc/32/94/88/442329488.db2.gz HOUMSUOPLDYNAQ-CYBMUJFWSA-N 0 0 334.424 1.251 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)CN[C@H](C)c2ccc(C)o2)CC1 ZINC000171235188 442331568 /nfs/dbraw/zinc/33/15/68/442331568.db2.gz YAYHQVKCZGOVBQ-CYBMUJFWSA-N 0 0 337.420 1.976 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000171287395 442338818 /nfs/dbraw/zinc/33/88/18/442338818.db2.gz KSZINXQLBRSOSV-AWEZNQCLSA-N 0 0 327.384 1.102 10 0 EDAERN C[C@@H](SC[C@@H](O)CO)C(=O)Nc1ccccc1Br ZINC000177441584 442341673 /nfs/dbraw/zinc/34/16/73/442341673.db2.gz PQAMFYNEDMZRHI-BDAKNGLRSA-N 0 0 334.235 1.863 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCCNC(=O)C3CC3)C2)no1 ZINC000171335593 442341768 /nfs/dbraw/zinc/34/17/68/442341768.db2.gz VRQMVULUFDEMTK-ZDUSSCGKSA-N 0 0 334.420 1.466 10 0 EDAERN COCCc1noc(CN(C)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000177450207 442343034 /nfs/dbraw/zinc/34/30/34/442343034.db2.gz GDUHYRSCMBYHNO-ZDUSSCGKSA-N 0 0 346.387 1.924 10 0 EDAERN CCCNC(=O)CCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171475909 442351862 /nfs/dbraw/zinc/35/18/62/442351862.db2.gz NLOPTNQIGUYHEK-CYBMUJFWSA-N 0 0 335.452 1.529 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(CCCCO)C1CC1)CC2 ZINC000129386574 442314638 /nfs/dbraw/zinc/31/46/38/442314638.db2.gz NMCXFMXTMGAVTE-ZDUSSCGKSA-N 0 0 335.452 1.663 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000129434252 442316712 /nfs/dbraw/zinc/31/67/12/442316712.db2.gz XOBZAHUEPFMSGE-LLVKDONJSA-N 0 0 336.440 1.137 10 0 EDAERN Cc1ccc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1F ZINC000177233301 442317465 /nfs/dbraw/zinc/31/74/65/442317465.db2.gz VMPOGFTWNFIVSZ-WMLDXEAASA-N 0 0 335.423 1.996 10 0 EDAERN O=C(Nc1ccc2ccccc2c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633374 442364781 /nfs/dbraw/zinc/36/47/81/442364781.db2.gz YGBBAVDPZXUIQF-HNNXBMFYSA-N 0 0 335.367 1.501 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000177702380 442372366 /nfs/dbraw/zinc/37/23/66/442372366.db2.gz VFHDNRBUSVNYPH-CQSZACIVSA-N 0 0 330.432 1.388 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000177715243 442374873 /nfs/dbraw/zinc/37/48/73/442374873.db2.gz YVLJZOHTZNYDSB-CQSZACIVSA-N 0 0 342.399 1.942 10 0 EDAERN CCC(CC)N1C[C@H](C(=O)N[C@H]2CCCn3nc(C)nc32)CC1=O ZINC000177716196 442374967 /nfs/dbraw/zinc/37/49/67/442374967.db2.gz DXLOXSUOFDNUKT-OCCSQVGLSA-N 0 0 333.436 1.575 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(Cl)ccc1Cl ZINC000131666374 442377278 /nfs/dbraw/zinc/37/72/78/442377278.db2.gz GYVVXKRMPYTZGX-LLVKDONJSA-N 0 0 348.230 1.808 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3cccc(C)c3)CC2)no1 ZINC000171864242 442386247 /nfs/dbraw/zinc/38/62/47/442386247.db2.gz ROAYBACQRAJKTP-UHFFFAOYSA-N 0 0 328.416 1.963 10 0 EDAERN Cc1cccc2nc(CNC(=O)[C@@H](C)NC(=O)c3ccco3)cn21 ZINC000171939815 442392085 /nfs/dbraw/zinc/39/20/85/442392085.db2.gz DMCVZCUWGIKVCV-GFCCVEGCSA-N 0 0 326.356 1.670 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1-n1cnnn1 ZINC000155450151 442399405 /nfs/dbraw/zinc/39/94/05/442399405.db2.gz BWQOHAJQFQGHJK-QMTHXVAHSA-N 0 0 335.795 1.597 10 0 EDAERN CCc1noc(CC)c1CC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000155478654 442401208 /nfs/dbraw/zinc/40/12/08/442401208.db2.gz AJDDRNILZKOKGJ-ZDUSSCGKSA-N 0 0 334.376 1.633 10 0 EDAERN CCn1c2ccccc2n(CC(=O)N[C@@H]2CCCn3ncnc32)c1=O ZINC000177552332 442356615 /nfs/dbraw/zinc/35/66/15/442356615.db2.gz HCUYACPSZLFRKD-GFCCVEGCSA-N 0 0 340.387 1.066 10 0 EDAERN Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177566743 442358157 /nfs/dbraw/zinc/35/81/57/442358157.db2.gz CCGFTSCPFZUJGU-SNVBAGLBSA-N 0 0 341.400 1.765 10 0 EDAERN CNC(=O)Cc1nc(CN2CCC(Cn3cccn3)CC2)cs1 ZINC000177599764 442361289 /nfs/dbraw/zinc/36/12/89/442361289.db2.gz PSLUTBPNWFJWGS-UHFFFAOYSA-N 0 0 333.461 1.540 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)COCC(C)C)CC2)n1 ZINC000171624618 442363497 /nfs/dbraw/zinc/36/34/97/442363497.db2.gz MCAHPBUVNJCPHK-ZFWWWQNUSA-N 0 0 326.441 1.090 10 0 EDAERN CC(C)(C)Oc1cccc(CCC(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000133100019 442406718 /nfs/dbraw/zinc/40/67/18/442406718.db2.gz RTVZCPICRNTFHD-AWEZNQCLSA-N 0 0 343.431 1.914 10 0 EDAERN COC(=O)CCCNC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000172114962 442410505 /nfs/dbraw/zinc/41/05/05/442410505.db2.gz ZSXPYBHDBVYBRF-AWEZNQCLSA-N 0 0 337.424 1.270 10 0 EDAERN Cc1cnn(CCNC(=O)C2CCN(c3ccc(C)cn3)CC2)c1 ZINC000172127371 442411889 /nfs/dbraw/zinc/41/18/89/442411889.db2.gz OLARGQPDILXMKT-UHFFFAOYSA-N 0 0 327.432 1.928 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cc(Cl)ccc1OC)C(C)C ZINC000178398831 442430362 /nfs/dbraw/zinc/43/03/62/442430362.db2.gz GZGRJIVLDLJLCM-CYBMUJFWSA-N 0 0 327.812 1.918 10 0 EDAERN Cc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)c(Br)n1 ZINC000133944126 442441814 /nfs/dbraw/zinc/44/18/14/442441814.db2.gz OHWDOKJFTVMCNF-SECBINFHSA-N 0 0 336.193 1.489 10 0 EDAERN CC(C)c1nnc2n1C[C@H](Nc1ncnc(-n3cccn3)c1N)CC2 ZINC000178617379 442448276 /nfs/dbraw/zinc/44/82/76/442448276.db2.gz NLCJJICFEVNHHP-LLVKDONJSA-N 0 0 339.407 1.386 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CCN1c2ccccc2CCC1=O ZINC000172389415 442453340 /nfs/dbraw/zinc/45/33/40/442453340.db2.gz GSULHHOZTJUVIQ-INIZCTEOSA-N 0 0 344.411 1.910 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000156203929 442455244 /nfs/dbraw/zinc/45/52/44/442455244.db2.gz FEEXYJGRHUGZOU-CQSZACIVSA-N 0 0 343.387 1.362 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)cn1 ZINC000191705929 442494718 /nfs/dbraw/zinc/49/47/18/442494718.db2.gz BBLKORRSDJTDDF-KRWDZBQOSA-N 0 0 343.383 1.774 10 0 EDAERN C[C@H](CCCc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000179757946 442498747 /nfs/dbraw/zinc/49/87/47/442498747.db2.gz JZBSQRGGELUITO-AEFFLSMTSA-N 0 0 334.460 1.455 10 0 EDAERN CCOC1CC(CCNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C1 ZINC000191726552 442500029 /nfs/dbraw/zinc/50/00/29/442500029.db2.gz YVKVCDLZOONJJZ-OTBWCIGPSA-N 0 0 339.480 1.554 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)C(C)C ZINC000178844921 442500415 /nfs/dbraw/zinc/50/04/15/442500415.db2.gz ILIKSJHDXWLXDS-DJIMGWMZSA-N 0 0 345.443 1.483 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)CC(C)(C)C)CC2 ZINC000172606524 442502169 /nfs/dbraw/zinc/50/21/69/442502169.db2.gz SRXUCYKKFWVAQL-STQMWFEESA-N 0 0 337.468 1.813 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000179778812 442502736 /nfs/dbraw/zinc/50/27/36/442502736.db2.gz HHHZFFZOXFUMOU-XJKSGUPXSA-N 0 0 344.415 1.575 10 0 EDAERN CCc1c(C(=O)N2CC(NC(=O)COC)C2)cnn1-c1ccccc1 ZINC000186313850 442510652 /nfs/dbraw/zinc/51/06/52/442510652.db2.gz RNASFEWRUVYMOC-UHFFFAOYSA-N 0 0 342.399 1.022 10 0 EDAERN COC[C@H](NC(=O)N1CCCNC(=O)[C@H]1C)c1ccc(F)c(F)c1 ZINC000191546278 442461125 /nfs/dbraw/zinc/46/11/25/442461125.db2.gz FOSRCGOWMODYNN-YGRLFVJLSA-N 0 0 341.358 1.572 10 0 EDAERN CCOC(=O)[C@H](Cc1ccccc1)N(C)C[C@H](O)CN1CCCC1=O ZINC000172451184 442464416 /nfs/dbraw/zinc/46/44/16/442464416.db2.gz OBSVVZBHYBVULQ-IRXDYDNUSA-N 0 0 348.443 1.076 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)Cn1cccn1 ZINC000156322492 442467439 /nfs/dbraw/zinc/46/74/39/442467439.db2.gz BLOZFWXLLNSZFA-CHWSQXEVSA-N 0 0 347.423 1.091 10 0 EDAERN CN1CCO[C@H](CNC(=O)CSc2nccc3ccccc32)C1 ZINC000156330015 442468681 /nfs/dbraw/zinc/46/86/81/442468681.db2.gz ZHJROPQNMBZLAB-CQSZACIVSA-N 0 0 331.441 1.774 10 0 EDAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172759873 442536263 /nfs/dbraw/zinc/53/62/63/442536263.db2.gz HGHPEHTYVFRXJG-ZDUSSCGKSA-N 0 0 342.390 1.371 10 0 EDAERN Cc1c(C(=O)N2CC[C@@H](N3CCOCC3)C2)oc2c1C(=O)CCC2 ZINC000172767220 442539000 /nfs/dbraw/zinc/53/90/00/442539000.db2.gz WKARIJZQKVQTBJ-CYBMUJFWSA-N 0 0 332.400 1.654 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC000186318858 442511286 /nfs/dbraw/zinc/51/12/86/442511286.db2.gz YYXDCURXMBOGRU-UHFFFAOYSA-N 0 0 344.411 1.112 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000191814038 442516212 /nfs/dbraw/zinc/51/62/12/442516212.db2.gz BYEPGJBZFWQDNS-QWRGUYRKSA-N 0 0 326.334 1.846 10 0 EDAERN CC(=O)CC(C)(C)CC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000191830874 442519269 /nfs/dbraw/zinc/51/92/69/442519269.db2.gz HGROTISMNHQYIM-UHFFFAOYSA-N 0 0 334.464 1.850 10 0 EDAERN CCNC(=O)NC(=O)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134845247 442527600 /nfs/dbraw/zinc/52/76/00/442527600.db2.gz RRXODKRGUDVTHQ-CQSZACIVSA-N 0 0 335.379 1.709 10 0 EDAERN O=C(COc1ccc(F)c(Cl)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172747749 442533047 /nfs/dbraw/zinc/53/30/47/442533047.db2.gz SFDPYAPZEOPVNF-LBPRGKRZSA-N 0 0 342.798 1.791 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135278710 442575626 /nfs/dbraw/zinc/57/56/26/442575626.db2.gz AOHKFSKWEOXYGP-LLVKDONJSA-N 0 0 332.408 1.221 10 0 EDAERN CC(C)c1ccc([C@H](C)NS(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000172978378 442576232 /nfs/dbraw/zinc/57/62/32/442576232.db2.gz MXPWEQRWAKXEJC-LBPRGKRZSA-N 0 0 333.475 1.835 10 0 EDAERN CC(C)[C@@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)C(N)=O ZINC000135339277 442582133 /nfs/dbraw/zinc/58/21/33/442582133.db2.gz NIKBKPPEVDOLHM-IUODEOHRSA-N 0 0 329.404 1.742 10 0 EDAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157464195 442586182 /nfs/dbraw/zinc/58/61/82/442586182.db2.gz VLSVQCQIJMQWBW-YGRLFVJLSA-N 0 0 345.403 1.035 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1noc(-c2ccccc2)n1 ZINC000135401915 442590804 /nfs/dbraw/zinc/59/08/04/442590804.db2.gz QESVVYCWJAEIDR-JSGCOSHPSA-N 0 0 345.403 1.427 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000186684008 442590877 /nfs/dbraw/zinc/59/08/77/442590877.db2.gz BWURYLLYBIFFJF-GJZGRUSLSA-N 0 0 339.480 1.362 10 0 EDAERN Cc1cnc(CN2CCN(c3nc(C)nc4c3cnn4C)CC2)s1 ZINC000180480130 442609341 /nfs/dbraw/zinc/60/93/41/442609341.db2.gz KMUNVPMPUGSHMY-UHFFFAOYSA-N 0 0 343.460 1.759 10 0 EDAERN CCOc1c(F)cccc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173092995 442602054 /nfs/dbraw/zinc/60/20/54/442602054.db2.gz RCPUFXHBUHNZTE-ZDUSSCGKSA-N 0 0 334.351 1.865 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3C)CCO2)[nH]1 ZINC000180224694 442561568 /nfs/dbraw/zinc/56/15/68/442561568.db2.gz HYXAAIUVSITZTI-CYBMUJFWSA-N 0 0 347.350 1.099 10 0 EDAERN CCOCCN1CCN(C(=O)C2CCC(C(=O)OC)CC2)C[C@H]1C ZINC000180233656 442562960 /nfs/dbraw/zinc/56/29/60/442562960.db2.gz LTHXJZJKPRXFSU-QQFBHYJXSA-N 0 0 340.464 1.535 10 0 EDAERN CC(C)Oc1cccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000179072711 442565794 /nfs/dbraw/zinc/56/57/94/442565794.db2.gz PKUVLSNHSHIIMB-AWEZNQCLSA-N 0 0 330.388 1.607 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000180249564 442566291 /nfs/dbraw/zinc/56/62/91/442566291.db2.gz IFEBYJGZQVTEAA-RDJZCZTQSA-N 0 0 345.443 1.421 10 0 EDAERN CCOc1cc(C(=O)NC[C@H](C)N2CCOCC2)cc(Cl)c1O ZINC000186590141 442567310 /nfs/dbraw/zinc/56/73/10/442567310.db2.gz PKXPTOKFBRCNOY-NSHDSACASA-N 0 0 342.823 1.895 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3cnns3)CC2)n1 ZINC000192332026 442635005 /nfs/dbraw/zinc/63/50/05/442635005.db2.gz HERKRFWAOUUEAP-SECBINFHSA-N 0 0 337.409 1.394 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cncc(Cl)n3)C2=O)n(C)n1 ZINC000192359253 442639299 /nfs/dbraw/zinc/63/92/99/442639299.db2.gz SJKAFKJEKSAZBJ-JTQLQIEISA-N 0 0 348.794 1.097 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCS(=O)CC2)C1 ZINC000173136518 442609862 /nfs/dbraw/zinc/60/98/62/442609862.db2.gz FNWGZRRYQVCQDR-NWDGAFQWSA-N 0 0 330.450 1.271 10 0 EDAERN Cn1nccc1C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000192219636 442616585 /nfs/dbraw/zinc/61/65/85/442616585.db2.gz YRHSNWCOPLQUIZ-SFHVURJKSA-N 0 0 346.475 1.770 10 0 EDAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCCN(CC)C1 ZINC000179338776 442624418 /nfs/dbraw/zinc/62/44/18/442624418.db2.gz MRIXDTAGACLCJC-AWEZNQCLSA-N 0 0 338.473 1.867 10 0 EDAERN C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135691142 442626039 /nfs/dbraw/zinc/62/60/39/442626039.db2.gz DLYVLFCLTZKDFK-DGCLKSJQSA-N 0 0 333.417 1.371 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000180577799 442626708 /nfs/dbraw/zinc/62/67/08/442626708.db2.gz PGVYXPUHVCUPPC-NWDGAFQWSA-N 0 0 337.424 1.562 10 0 EDAERN CCNC(=O)NC1(C(=O)N[C@@H]2CCCn3nc(CC)nc32)CCCC1 ZINC000180584031 442627715 /nfs/dbraw/zinc/62/77/15/442627715.db2.gz TWQSVIQYXAFSHX-GFCCVEGCSA-N 0 0 348.451 1.424 10 0 EDAERN COc1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)ccc1F ZINC000187438994 442676797 /nfs/dbraw/zinc/67/67/97/442676797.db2.gz BRKBISFQQIGSDV-LBPRGKRZSA-N 0 0 347.350 1.228 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187591376 442681649 /nfs/dbraw/zinc/68/16/49/442681649.db2.gz IGRQSMZQAMZSNY-GJZGRUSLSA-N 0 0 338.473 1.977 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCN1c2ccccc2CCC1=O ZINC000187702709 442687412 /nfs/dbraw/zinc/68/74/12/442687412.db2.gz WDILKCCLDUWCAJ-LJQANCHMSA-N 0 0 344.411 1.910 10 0 EDAERN COc1ccc(CCCN(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000192835043 442691330 /nfs/dbraw/zinc/69/13/30/442691330.db2.gz PVCPGKBSPOJDGH-NVXWUHKLSA-N 0 0 334.416 1.068 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2c(F)cccc2Cl)C1)C1CC1 ZINC000187914961 442697880 /nfs/dbraw/zinc/69/78/80/442697880.db2.gz YORHYPIXURKWQQ-UHFFFAOYSA-N 0 0 332.784 1.378 10 0 EDAERN CCc1n[nH]c(=O)c(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c1CC ZINC000136326649 442659617 /nfs/dbraw/zinc/65/96/17/442659617.db2.gz OIYRFRAPMNBJHG-SNVBAGLBSA-N 0 0 337.420 1.697 10 0 EDAERN CN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000180832991 442663747 /nfs/dbraw/zinc/66/37/47/442663747.db2.gz NFEWTRCKWZVXQD-NXEZZACHSA-N 0 0 340.342 1.625 10 0 EDAERN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@@H](CO)[C@H](O)C1 ZINC000192620242 442668878 /nfs/dbraw/zinc/66/88/78/442668878.db2.gz AKWZWFOXFYFHLN-WCBMZHEXSA-N 0 0 342.804 1.872 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)sc1C ZINC000193172959 442719976 /nfs/dbraw/zinc/71/99/76/442719976.db2.gz FCGAGLADOUWSIJ-BLLLJJGKSA-N 0 0 337.445 1.852 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000188213947 442725299 /nfs/dbraw/zinc/72/52/99/442725299.db2.gz LUXXWSNIRPIHGZ-INIZCTEOSA-N 0 0 333.432 1.930 10 0 EDAERN C[C@H](C[S@@](C)=O)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000182054831 442732023 /nfs/dbraw/zinc/73/20/23/442732023.db2.gz DHPGXETZCASBDN-NFULHVNHSA-N 0 0 326.418 1.585 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCOCC(F)F)ncn1 ZINC000188424272 442748809 /nfs/dbraw/zinc/74/88/09/442748809.db2.gz SPGWEWMGBBWIGA-NSHDSACASA-N 0 0 343.378 1.275 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000188484917 442755571 /nfs/dbraw/zinc/75/55/71/442755571.db2.gz MYSAJHVPKPOMQQ-SJLPKXTDSA-N 0 0 345.443 1.227 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(OC2COC2)cc1 ZINC000188109484 442713024 /nfs/dbraw/zinc/71/30/24/442713024.db2.gz BTHIERYITPWALT-QGZVFWFLSA-N 0 0 334.416 1.904 10 0 EDAERN CCOC(=O)[C@H](NC(=O)[C@H](C)NC(C)=O)c1ccc(Cl)cc1 ZINC000193855654 442799439 /nfs/dbraw/zinc/79/94/39/442799439.db2.gz JTKJTLGPSXXQEJ-TVQRCGJNSA-N 0 0 326.780 1.585 10 0 EDAERN COC(=O)c1[nH]c(C)c(C(=O)N2CC(NC(=O)C3CCC3)C2)c1C ZINC000188539092 442761340 /nfs/dbraw/zinc/76/13/40/442761340.db2.gz NQALWAYLFPTDEO-UHFFFAOYSA-N 0 0 333.388 1.159 10 0 EDAERN CC(C)COc1ccc([C@@H](C)NC(=O)Cn2ncn(C)c2=O)cc1 ZINC000182387806 442762776 /nfs/dbraw/zinc/76/27/76/442762776.db2.gz GQFHEWUIVGGOHT-CYBMUJFWSA-N 0 0 332.404 1.494 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(CC(C)C)C(=O)C1)C(C)C ZINC000188648126 442778868 /nfs/dbraw/zinc/77/88/68/442778868.db2.gz QJNARIYXJXFZIX-QGZVFWFLSA-N 0 0 339.480 1.500 10 0 EDAERN C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188800891 442816341 /nfs/dbraw/zinc/81/63/41/442816341.db2.gz ZAUUBLVXMCMYJO-BBRMVZONSA-N 0 0 337.464 1.892 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246983796 442825778 /nfs/dbraw/zinc/82/57/78/442825778.db2.gz JWKGRJGYWIKXSD-KGLIPLIRSA-N 0 0 333.432 1.101 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)CCc2ccccc2)C[C@H]1C ZINC000247022754 442829216 /nfs/dbraw/zinc/82/92/16/442829216.db2.gz HVHKNHMMHXJFEP-MRXNPFEDSA-N 0 0 340.489 1.602 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)C12CCOCC2 ZINC000188861157 442829628 /nfs/dbraw/zinc/82/96/28/442829628.db2.gz UFDHICKBAMCNIL-ZIAGYGMSSA-N 0 0 330.388 1.662 10 0 EDAERN CCOCCN1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000247144833 442837974 /nfs/dbraw/zinc/83/79/74/442837974.db2.gz LGNXJOAZIXFIBR-IXDOHACOSA-N 0 0 325.497 1.534 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)c1ccccc1OC(F)F)[C@H]1CCCO1 ZINC000194061046 442839135 /nfs/dbraw/zinc/83/91/35/442839135.db2.gz PIVFGMOFAIYQAM-ZYHUDNBSSA-N 0 0 342.342 1.702 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000194152981 442852667 /nfs/dbraw/zinc/85/26/67/442852667.db2.gz NIGKGXMBMCTTSO-QGZVFWFLSA-N 0 0 340.427 1.981 10 0 EDAERN CCCn1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)cn1 ZINC000183034105 442867274 /nfs/dbraw/zinc/86/72/74/442867274.db2.gz NQTKWPXEPIDCAF-UHFFFAOYSA-N 0 0 328.420 1.824 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)n(C)n1 ZINC000189098092 442877253 /nfs/dbraw/zinc/87/72/53/442877253.db2.gz TWYXMPXFMVMUTP-CYBMUJFWSA-N 0 0 344.419 1.381 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)O1 ZINC000178169425 318447799 /nfs/dbraw/zinc/44/77/99/318447799.db2.gz ZZKRFVMTPTXKQY-ABAIWWIYSA-N 0 0 338.429 1.510 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)c2ncc(C)s2)CC1 ZINC000183197799 442901064 /nfs/dbraw/zinc/90/10/64/442901064.db2.gz DPSURWFSMIQONT-JSGCOSHPSA-N 0 0 340.493 1.653 10 0 EDAERN O=C(NCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccn[nH]1 ZINC000180925471 318476095 /nfs/dbraw/zinc/47/60/95/318476095.db2.gz LCKBFSIBSZOEML-QWRGUYRKSA-N 0 0 334.326 1.338 10 0 EDAERN CS(=O)(=O)CC1(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000183205846 442902816 /nfs/dbraw/zinc/90/28/16/442902816.db2.gz VTBLJMULEHAKNG-CYBMUJFWSA-N 0 0 340.449 1.471 10 0 EDAERN COCc1c(C(=O)N2CCCNC(=O)[C@@H]2C)cnn1-c1ccccc1 ZINC000189248653 442904946 /nfs/dbraw/zinc/90/49/46/442904946.db2.gz MKMSBOIAHWJCCE-ZDUSSCGKSA-N 0 0 342.399 1.369 10 0 EDAERN C[C@H](O)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000248899635 442936737 /nfs/dbraw/zinc/93/67/37/442936737.db2.gz YSJUTMJAZRLVJD-YNEHKIRRSA-N 0 0 327.450 1.190 10 0 EDAERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189425775 442949963 /nfs/dbraw/zinc/94/99/63/442949963.db2.gz NBGCDGXDDDIPGZ-VIFPVBQESA-N 0 0 340.782 1.983 10 0 EDAERN CCn1cc(C2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)cn1 ZINC000194737847 442945583 /nfs/dbraw/zinc/94/55/83/442945583.db2.gz ZETQBQUKIZBTHL-UHFFFAOYSA-N 0 0 328.416 1.779 10 0 EDAERN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[C@@H]1CNC(=O)C1 ZINC000194823386 442958899 /nfs/dbraw/zinc/95/88/99/442958899.db2.gz VVSYJRQGMXEZQO-JQWIXIFHSA-N 0 0 338.791 1.972 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N2CC(NC(=O)C3CC3)C2)cc1F ZINC000189459472 442959474 /nfs/dbraw/zinc/95/94/74/442959474.db2.gz TVTGBDROGGZOII-UHFFFAOYSA-N 0 0 348.374 1.534 10 0 EDAERN O=C(c1c[nH]c(=O)c2ccccc12)N1CCO[C@@H](Cn2cccn2)C1 ZINC000191555160 318573838 /nfs/dbraw/zinc/57/38/38/318573838.db2.gz CCUQIEHPFOIVDU-CYBMUJFWSA-N 0 0 338.367 1.266 10 0 EDAERN O=C(c1c[nH]c(=O)c2ccccc12)N1CCC[C@H](Cn2cncn2)C1 ZINC000191726708 318574449 /nfs/dbraw/zinc/57/44/49/318574449.db2.gz MTEFWNFVEODRSH-ZDUSSCGKSA-N 0 0 337.383 1.672 10 0 EDAERN C[C@H](CNC(=O)N1CCN(C)C[C@H]1c1ccccc1)N1CCOCC1 ZINC000249515933 442980884 /nfs/dbraw/zinc/98/08/84/442980884.db2.gz DHKZACXTIWQHPC-AEFFLSMTSA-N 0 0 346.475 1.405 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)C[C@@H]1C ZINC000249552141 442985913 /nfs/dbraw/zinc/98/59/13/442985913.db2.gz IJJKBUCEVNOVNQ-GJZGRUSLSA-N 0 0 341.496 1.497 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184060732 442986635 /nfs/dbraw/zinc/98/66/35/442986635.db2.gz RZKCFUGKPRFRAG-HUUCEWRRSA-N 0 0 335.375 1.531 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(Cl)n1 ZINC000189626462 442987146 /nfs/dbraw/zinc/98/71/46/442987146.db2.gz IVBRPFXBGTWJCI-LLVKDONJSA-N 0 0 340.836 1.955 10 0 EDAERN COC(=O)C[C@H](NC(=O)c1ccc(C(N)=O)s1)c1ccccc1 ZINC000195207893 442997176 /nfs/dbraw/zinc/99/71/76/442997176.db2.gz LTDKFARXLFXMLT-NSHDSACASA-N 0 0 332.381 1.881 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@@H](C)COCc2ccccc2)cn1 ZINC000195314037 443008442 /nfs/dbraw/zinc/00/84/42/443008442.db2.gz GUSLHEQEQDJRTB-ZDUSSCGKSA-N 0 0 336.413 1.974 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCCn1cccn1)C(C)C ZINC000195241756 443000766 /nfs/dbraw/zinc/00/07/66/443000766.db2.gz DRYKIULKBCRFSJ-INIZCTEOSA-N 0 0 344.415 1.463 10 0 EDAERN CC1(Cn2cc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)nn2)COC1 ZINC000184862973 443088844 /nfs/dbraw/zinc/08/88/44/443088844.db2.gz YNKSHXYDBKAOPP-AWEZNQCLSA-N 0 0 330.392 1.405 10 0 EDAERN COc1ccccc1C(=O)NCc1ccnc(N2CCOCC2)n1 ZINC000224215490 443097048 /nfs/dbraw/zinc/09/70/48/443097048.db2.gz PEJYLNBKUIVXFD-UHFFFAOYSA-N 0 0 328.372 1.252 10 0 EDAERN CC(C)(C)OC(=O)NC(CO)(CO)[C@@H]1CCc2cc(O)ccc2C1 ZINC000217881137 443057060 /nfs/dbraw/zinc/05/70/60/443057060.db2.gz HIIAEBSYOGVQFC-CQSZACIVSA-N 0 0 337.416 1.745 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)C1=Cc2ccccc2OCC1 ZINC000184686363 443060045 /nfs/dbraw/zinc/06/00/45/443060045.db2.gz RFJUYOORCQUZEK-ZDUSSCGKSA-N 0 0 346.412 1.336 10 0 EDAERN CCCn1cc(NC(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)cn1 ZINC000190131874 443061605 /nfs/dbraw/zinc/06/16/05/443061605.db2.gz ATJLOKDBJJNAKV-CHWSQXEVSA-N 0 0 334.380 1.978 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cn1 ZINC000184731905 443068877 /nfs/dbraw/zinc/06/88/77/443068877.db2.gz KSBOGNXKKNDRDL-OAHLLOKOSA-N 0 0 345.424 1.797 10 0 EDAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)CCCCOC)C1 ZINC000184762660 443073430 /nfs/dbraw/zinc/07/34/30/443073430.db2.gz GFEVDCXRFJWCHK-AWEZNQCLSA-N 0 0 329.466 1.839 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)CC2 ZINC000190554536 443136071 /nfs/dbraw/zinc/13/60/71/443136071.db2.gz XTFOKIRVZFSNBR-GFCCVEGCSA-N 0 0 335.452 1.754 10 0 EDAERN CCc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1-c1ccccc1C ZINC000185099875 443136500 /nfs/dbraw/zinc/13/65/00/443136500.db2.gz GSITVGDQQNCIFB-HNNXBMFYSA-N 0 0 342.443 1.804 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)s1 ZINC000190590370 443143844 /nfs/dbraw/zinc/14/38/44/443143844.db2.gz RCTSCJMPMPFYKE-CMPLNLGQSA-N 0 0 325.434 1.701 10 0 EDAERN O=C(CCc1cccc2c1OCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000184936471 443102015 /nfs/dbraw/zinc/10/20/15/443102015.db2.gz BBCUJQJCFAAGDB-HNNXBMFYSA-N 0 0 332.400 1.281 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C1CC1 ZINC000190455661 443112476 /nfs/dbraw/zinc/11/24/76/443112476.db2.gz GTDCSNYNDFOBJX-MRVPVSSYSA-N 0 0 344.820 1.597 10 0 EDAERN CC(=O)N[C@H](CC(=O)N1CC(NC(C)=O)C1)c1ccc(Cl)cc1 ZINC000190487321 443118331 /nfs/dbraw/zinc/11/83/31/443118331.db2.gz BHYNKYSGTUYMQA-OAHLLOKOSA-N 0 0 337.807 1.254 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccc(C)nc3)CCO2)cn1 ZINC000190503243 443121700 /nfs/dbraw/zinc/12/17/00/443121700.db2.gz BOKRCTTVMYRRNB-OAHLLOKOSA-N 0 0 343.387 1.145 10 0 EDAERN COCCOc1ccc(Cl)cc1C(=O)N1CC(NC(C)=O)C1 ZINC000190505579 443121866 /nfs/dbraw/zinc/12/18/66/443121866.db2.gz LREJLGBBGSGYBT-UHFFFAOYSA-N 0 0 326.780 1.326 10 0 EDAERN CC(=O)NC1CN(C(=O)CSc2cccc(Br)c2)C1 ZINC000190503453 443122190 /nfs/dbraw/zinc/12/21/90/443122190.db2.gz XISRXBWGOQQECX-UHFFFAOYSA-N 0 0 343.246 1.888 10 0 EDAERN CC(=O)NC1CN(C(=O)CSCc2cn3cc(C)ccc3n2)C1 ZINC000190510204 443124024 /nfs/dbraw/zinc/12/40/24/443124024.db2.gz QIWMEFHOOIMJGO-UHFFFAOYSA-N 0 0 332.429 1.223 10 0 EDAERN CCOc1cc2c(cc1/C=C/C(=O)N1CC(NC(C)=O)C1)O[C@@H](C)C2 ZINC000190522883 443126998 /nfs/dbraw/zinc/12/69/98/443126998.db2.gz VHEFFYGNKKILSE-FYJFLYSWSA-N 0 0 344.411 1.769 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCSc2ccccc2Cl)C1 ZINC000185236992 443166957 /nfs/dbraw/zinc/16/69/57/443166957.db2.gz DYYCEMKCRHHCKB-UHFFFAOYSA-N 0 0 342.848 1.796 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000185240111 443168038 /nfs/dbraw/zinc/16/80/38/443168038.db2.gz WSGAESCQNBFTNZ-QWHCGFSZSA-N 0 0 327.454 1.207 10 0 EDAERN CN(C)c1noc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000185267925 443173359 /nfs/dbraw/zinc/17/33/59/443173359.db2.gz WCFTXAZOZINJEC-NSHDSACASA-N 0 0 325.413 1.625 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)NCc3ccccc3F)CCO2)cn1 ZINC000190759584 443177934 /nfs/dbraw/zinc/17/79/34/443177934.db2.gz LWNYEAVKYXXVHT-KRWDZBQOSA-N 0 0 346.406 1.732 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCCn1cnc2ccccc21 ZINC000191122474 443244378 /nfs/dbraw/zinc/24/43/78/443244378.db2.gz RTHHIXYKIGWVHE-ZDUSSCGKSA-N 0 0 329.404 1.346 10 0 EDAERN COC[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@H](C)COC ZINC000245694815 443244790 /nfs/dbraw/zinc/24/47/90/443244790.db2.gz PKPBRXLTIVVCET-NMWPEEMBSA-N 0 0 328.453 1.200 10 0 EDAERN C/C=C/C[C@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000185481915 443206822 /nfs/dbraw/zinc/20/68/22/443206822.db2.gz KOLISNDHSREYLY-LSMGEYOZSA-N 0 0 348.451 1.113 10 0 EDAERN C[C@@H]1OCC[C@]1(O)CNC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000241588084 443208011 /nfs/dbraw/zinc/20/80/11/443208011.db2.gz OZLRPOJYQDXXTG-IYOUNJFTSA-N 0 0 338.448 1.214 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccc(N(C)CC)nc3)CCO2)[nH]1 ZINC000191155542 443249280 /nfs/dbraw/zinc/24/92/80/443249280.db2.gz QGHGBKKMTBTYNE-AWEZNQCLSA-N 0 0 330.436 1.792 10 0 EDAERN CC[C@H](CNC(=O)N1CCCNC(=O)[C@H]1C)Oc1ccccc1F ZINC000191439324 443294373 /nfs/dbraw/zinc/29/43/73/443294373.db2.gz DZGCFESZCPWLPJ-CHWSQXEVSA-N 0 0 337.395 1.903 10 0 EDAERN C[C@H](OCc1ccccc1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000185966044 443291830 /nfs/dbraw/zinc/29/18/30/443291830.db2.gz SBJSYJOOEMTPRV-SOLBZPMBSA-N 0 0 332.444 1.771 10 0 EDAERN C[C@H](NC(=O)CCOCC(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000191448291 443295945 /nfs/dbraw/zinc/29/59/45/443295945.db2.gz YIMASAHHMSXWQI-JTQLQIEISA-N 0 0 335.372 1.939 10 0 EDAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(O)cc(Br)c1 ZINC000529275515 320571741 /nfs/dbraw/zinc/57/17/41/320571741.db2.gz LZNPJSFCWFHAIL-HQJQHLMTSA-N 0 0 327.178 1.552 10 0 EDAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(F)c2)C12CCOCC2 ZINC000547439288 320827621 /nfs/dbraw/zinc/82/76/21/320827621.db2.gz ZLPAPFYJEUKXPB-ZIAGYGMSSA-N 0 0 344.408 1.473 10 0 EDAERN CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)[C@H](C)C(F)(F)F)n1 ZINC000328642881 444410578 /nfs/dbraw/zinc/41/05/78/444410578.db2.gz YPFWRFKWDRLLHX-GJMOJQLCSA-N 0 0 343.327 1.020 10 0 EDAERN CCc1ccsc1C(=O)N1CC(N2CCn3c(C)nnc3C2)C1 ZINC000328648015 444413055 /nfs/dbraw/zinc/41/30/55/444413055.db2.gz UGHSRSRJOMHCQH-UHFFFAOYSA-N 0 0 331.445 1.551 10 0 EDAERN Cc1conc1NC(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000328628503 444401563 /nfs/dbraw/zinc/40/15/63/444401563.db2.gz NTFXKQULQFIDKF-GFCCVEGCSA-N 0 0 331.376 2.129 10 0 EDAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)/C=C/c1ccc(Br)o1 ZINC000393500241 447530855 /nfs/dbraw/zinc/53/08/55/447530855.db2.gz JKKNGFCYWHWSEH-DCRJLCJXSA-N 0 0 327.178 1.839 10 0 EDAERN O=c1c(I)c[nH]c2cc3c(cc21)OCCO3 ZINC000575434001 447861073 /nfs/dbraw/zinc/86/10/73/447861073.db2.gz BNBPFIKRXLEQSF-UHFFFAOYSA-N 0 0 329.093 1.904 10 0 EDAERN Cc1cccc(C2(C(=O)NC[C@@H]3C[C@@H](c4nnc[nH]4)C[C@@H]3O)CC2)c1 ZINC000527561001 448290362 /nfs/dbraw/zinc/29/03/62/448290362.db2.gz QTWBMVIILVFURN-YCPHGPKFSA-N 0 0 340.427 1.816 10 0 EDAERN CCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)cn1 ZINC000583615500 448441217 /nfs/dbraw/zinc/44/12/17/448441217.db2.gz LPMRNTDPONYUGS-ZFWWWQNUSA-N 0 0 330.388 1.864 10 0 EDAERN CC(C)n1cc([C@]2(O)CCN(CC(=O)N3CCCCCC3)C2)nn1 ZINC000583618481 448448733 /nfs/dbraw/zinc/44/87/33/448448733.db2.gz ZZBWLSZVBFJFBV-KRWDZBQOSA-N 0 0 335.452 1.155 10 0 EDAERN Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000583620963 448451481 /nfs/dbraw/zinc/45/14/81/448451481.db2.gz SPDLYDCENIHGEG-WMZOPIPTSA-N 0 0 341.411 1.897 10 0 EDAERN Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000583621032 448451548 /nfs/dbraw/zinc/45/15/48/448451548.db2.gz NHUNPSHUUGEIQE-QAPCUYQASA-N 0 0 349.394 1.968 10 0 EDAERN Cc1nc(F)ccc1-c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1 ZINC000584597038 448583932 /nfs/dbraw/zinc/58/39/32/448583932.db2.gz UKJMDQYUAPXVLW-UHFFFAOYSA-N 0 0 334.336 1.024 10 0 EDAERN O=C(Nc1ccsc1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000548678486 449078767 /nfs/dbraw/zinc/07/87/67/449078767.db2.gz ZWIGHIOYBWIMHE-LLVKDONJSA-N 0 0 328.401 2.509 10 0 EDAERN Ic1ccc(N2CC(n3cccn3)C2)nc1 ZINC000590689649 449247263 /nfs/dbraw/zinc/24/72/63/449247263.db2.gz DGNHRUWQCCNDPX-UHFFFAOYSA-N 0 0 326.141 1.944 10 0 EDAERN COC(=O)c1nc(N2CCOCC2)sc1C(=O)c1ccccc1 ZINC000616580909 450453729 /nfs/dbraw/zinc/45/37/29/450453729.db2.gz XXDQOGHOWJDFNK-UHFFFAOYSA-N 0 0 332.381 1.997 10 0 EDAERN Nc1cccc([C@H]2CCOCCN2S(=O)(=O)c2ccccc2)n1 ZINC000616596861 450454635 /nfs/dbraw/zinc/45/46/35/450454635.db2.gz DAPNIRXYTNKNAY-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCCO[C@H](OC(F)(F)F)C1 ZINC000616652110 450457917 /nfs/dbraw/zinc/45/79/17/450457917.db2.gz YODJVQHSCINFDO-LLVKDONJSA-N 0 0 325.308 1.960 10 0 EDAERN CCOc1c(Cl)cccc1CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616775800 450482245 /nfs/dbraw/zinc/48/22/45/450482245.db2.gz ZTBPOIDEVIETEH-YCPHGPKFSA-N 0 0 349.818 1.968 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1nscc1Br ZINC000633916867 451092820 /nfs/dbraw/zinc/09/28/20/451092820.db2.gz FYYJESMDMSARAN-QMMMGPOBSA-N 0 0 334.239 1.308 10 0 EDAERN Cc1nc(C)n([C@H]2CCCN(c3ccccc3S(N)(=O)=O)C2)n1 ZINC000631106527 451587375 /nfs/dbraw/zinc/58/73/75/451587375.db2.gz BSOYSGSDVJOFSY-ZDUSSCGKSA-N 0 0 335.433 1.384 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)NCc2ccccc2C)C1 ZINC000643859421 452754183 /nfs/dbraw/zinc/75/41/83/452754183.db2.gz DYDFGSJEAHLYEC-CVEARBPZSA-N 0 0 328.416 1.796 10 0 EDAERN CO[C@]1(c2nnc(CN3CC(C)(C)OC(C)(C)C3)o2)CCOC1 ZINC000644270627 453223001 /nfs/dbraw/zinc/22/30/01/453223001.db2.gz YBKQXLRDYIRLPX-MRXNPFEDSA-N 0 0 325.409 1.721 10 0 EDAERN CN1CCCN(C(=O)CN2CCCC[C@H](O)C2=O)c2cc(F)ccc21 ZINC000644367033 453358824 /nfs/dbraw/zinc/35/88/24/453358824.db2.gz SNXSSWDSNZWPKF-INIZCTEOSA-N 0 0 349.406 1.372 10 0 EDAERN Cc1nn(C)c(CN(C)C[C@@H]2CN(C)CCO2)c1Br ZINC000684143524 486954244 /nfs/dbraw/zinc/95/42/44/486954244.db2.gz YJNAHAPTHCVMCC-NSHDSACASA-N 0 0 331.258 1.253 10 0 EDAERN Cc1nnc(COC2CN(C(=O)c3ccc4c(c3)N(C)CCO4)C2)o1 ZINC000606444889 486118529 /nfs/dbraw/zinc/11/85/29/486118529.db2.gz AIHUUCYBNOEFIW-UHFFFAOYSA-N 0 0 344.371 1.248 10 0 EDAERN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671500251 486628390 /nfs/dbraw/zinc/62/83/90/486628390.db2.gz ZWSJBUDTFAOAMM-GOSISDBHSA-N 0 0 337.383 1.346 10 0 EDAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000122940661 491001635 /nfs/dbraw/zinc/00/16/35/491001635.db2.gz JHLDKGZRSFBCER-ACJLOTCBSA-N 0 0 344.415 1.446 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@H]3CCCCO3)CC2)cn1 ZINC000123391156 491002535 /nfs/dbraw/zinc/00/25/35/491002535.db2.gz AASDTGKKQOXXJQ-MRXNPFEDSA-N 0 0 334.464 1.851 10 0 EDAERN COc1cc(C)c(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)cc1C ZINC000074863320 491015379 /nfs/dbraw/zinc/01/53/79/491015379.db2.gz IQJJCSJCAZZKOG-GFCCVEGCSA-N 0 0 326.418 1.069 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083702781 500592510 /nfs/dbraw/zinc/59/25/10/500592510.db2.gz UQIYJYKAKAAOSR-ZDUSSCGKSA-N 0 0 336.440 1.369 10 0 EDAERN C[C@@H](C[NH+](C)C)n1c(SCC(=O)[O-])nc2sccc2c1=O ZINC000169082389 533735643 /nfs/dbraw/zinc/73/56/43/533735643.db2.gz NYFHKJQZVOCXAN-QMMMGPOBSA-N 0 0 327.431 1.757 10 0 EDAERN Cc1ccc(CC(=O)NC[C@@H]2CN(C)CCO2)cc1Br ZINC000187615821 533751651 /nfs/dbraw/zinc/75/16/51/533751651.db2.gz FIMMLAHJDJFYAI-CYBMUJFWSA-N 0 0 341.249 1.747 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173671172 533843554 /nfs/dbraw/zinc/84/35/54/533843554.db2.gz VUDQSQWLHDEOMV-CQSZACIVSA-N 0 0 334.351 1.612 10 0 EDAERN COc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000155237840 533909745 /nfs/dbraw/zinc/90/97/45/533909745.db2.gz IVVYVZKSRZCISB-OAHLLOKOSA-N 0 0 346.362 1.870 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1CCCC[C@@H]1O)C(C)C ZINC000134140579 533976465 /nfs/dbraw/zinc/97/64/65/533976465.db2.gz JGWXSKQBDLBFDQ-ZOBUZTSGSA-N 0 0 348.443 1.869 10 0 EDAERN C[C@@H](CNC(=O)Nc1cccc(Br)n1)N1CCOCC1 ZINC000183618058 533998670 /nfs/dbraw/zinc/99/86/70/533998670.db2.gz DFNWDEKCGUYSMF-JTQLQIEISA-N 0 0 343.225 1.686 10 0 EDAERN COC(=O)c1ccc(CN2CCCN(c3ccc(C)nn3)CC2)o1 ZINC000171549276 534105883 /nfs/dbraw/zinc/10/58/83/534105883.db2.gz QDGGWCZRJJUGMY-UHFFFAOYSA-N 0 0 330.388 1.877 10 0 EDAERN Cc1ccc(-n2cc(NC(=O)NC[C@@H]3CN(C)CCO3)cn2)c(C)c1 ZINC000189652362 534239214 /nfs/dbraw/zinc/23/92/14/534239214.db2.gz BIXOTBJOSFEOPG-MRXNPFEDSA-N 0 0 343.431 1.941 10 0 EDAERN COC(=O)c1nc(N2CCSC[C@@H]2S(C)(=O)=O)sc1C ZINC000164685421 534350447 /nfs/dbraw/zinc/35/04/47/534350447.db2.gz JRNQVFUDIVGERM-QMMMGPOBSA-N 0 0 336.460 1.162 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@H](C)C2 ZINC000182221293 534449028 /nfs/dbraw/zinc/44/90/28/534449028.db2.gz CMSVRXXLDOPUNH-SJKOYZFVSA-N 0 0 341.415 1.338 10 0 EDAERN O=C(CCc1nc(-c2ccccn2)no1)NC[C@H]1CCCC[C@@H]1O ZINC000155793344 534489023 /nfs/dbraw/zinc/48/90/23/534489023.db2.gz BWXBSDVUIAISBZ-OCCSQVGLSA-N 0 0 330.388 1.732 10 0 EDAERN O=C(NC[C@H](CCO)c1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177349663 534616065 /nfs/dbraw/zinc/61/60/65/534616065.db2.gz HKKRSKBLHLBEDQ-LSDHHAIUSA-N 0 0 329.404 1.578 10 0 EDAERN O=C([C@H]1CNC(=O)C1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000129724511 534635094 /nfs/dbraw/zinc/63/50/94/534635094.db2.gz RZWQVJAYDRITEI-HUUCEWRRSA-N 0 0 344.436 1.946 10 0 EDAERN C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)C[C@@H](C)O1 ZINC000188688716 524808399 /nfs/dbraw/zinc/80/83/99/524808399.db2.gz KYGBDLMTEYVHCW-ZIAGYGMSSA-N 0 0 331.416 1.504 10 0 EDAERN O=c1[nH]cnc(Sc2cnccn2)c1I ZINC000166127437 534890039 /nfs/dbraw/zinc/89/00/39/534890039.db2.gz GZBIIPNJRCLBPB-UHFFFAOYSA-N 0 0 332.126 1.316 10 0 EDAERN CC(=O)c1cccc([S@](=O)c2ccc(S(N)(=O)=O)s2)c1 ZINC000211825463 534908485 /nfs/dbraw/zinc/90/84/85/534908485.db2.gz WBSAGRWRLMRQKD-IBGZPJMESA-N 0 0 329.424 1.765 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)CCn1cncn1 ZINC000174214563 526474650 /nfs/dbraw/zinc/47/46/50/526474650.db2.gz KBQRIOIXPNWTAH-OLZOCXBDSA-N 0 0 337.424 1.478 10 0 EDAERN Brc1cc(Br)n(CCN2CCOCC2)n1 ZINC000169209186 526635156 /nfs/dbraw/zinc/63/51/56/526635156.db2.gz BTLDDEKHPZSQKZ-UHFFFAOYSA-N 0 0 339.031 1.740 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccccc2-n2nc(C)cc2C)C1 ZINC000190251635 526709881 /nfs/dbraw/zinc/70/98/81/526709881.db2.gz UIDAMFSZMYMVJN-UHFFFAOYSA-N 0 0 341.415 1.519 10 0 EDAERN CC(C)(C)c1nc(-c2cn[nH]n2)nc(N)c1I ZINC000159013810 526852705 /nfs/dbraw/zinc/85/27/05/526852705.db2.gz DTTXAQNNESBUCO-UHFFFAOYSA-N 0 0 344.160 1.746 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1C ZINC000173973213 526912265 /nfs/dbraw/zinc/91/22/65/526912265.db2.gz VFYHINWDRGSQQZ-RDTXWAMCSA-N 0 0 345.443 1.746 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1C ZINC000173973229 526913207 /nfs/dbraw/zinc/91/32/07/526913207.db2.gz VFYHINWDRGSQQZ-KSSFIOAISA-N 0 0 345.443 1.746 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCC[C@]2(C)C(=O)OC)cc1 ZINC000187687067 526931899 /nfs/dbraw/zinc/93/18/99/526931899.db2.gz ICVVDEGXIDPMGI-GOSISDBHSA-N 0 0 330.384 1.657 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135266313 528003430 /nfs/dbraw/zinc/00/34/30/528003430.db2.gz DPZKWCMFWFQKQW-HNNXBMFYSA-N 0 0 347.463 1.600 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000249839790 536535533 /nfs/dbraw/zinc/53/55/33/536535533.db2.gz FUUCLEZQQGWTCE-YRGRVCCFSA-N 0 0 325.311 1.674 10 0 EDAERN CCC[C@H](N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OCC ZINC000174344372 528240282 /nfs/dbraw/zinc/24/02/82/528240282.db2.gz POQQPEYBLTUNRZ-KBPBESRZSA-N 0 0 336.436 1.545 10 0 EDAERN CCNS(=O)(=O)c1ccc(N)c(N2CCS[C@H](CC)C2)c1 ZINC000157266686 528385432 /nfs/dbraw/zinc/38/54/32/528385432.db2.gz VPLSZRBTXCGKML-LLVKDONJSA-N 0 0 329.491 1.899 10 0 EDAERN CCC(=O)Nc1ccc(NC(=O)N2CCN(C[C@H](O)CC)CC2)cc1 ZINC000181170282 528432421 /nfs/dbraw/zinc/43/24/21/528432421.db2.gz WPSDQKCDYYRVAG-MRXNPFEDSA-N 0 0 348.447 1.956 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000130992600 528456088 /nfs/dbraw/zinc/45/60/88/528456088.db2.gz NHJHBONYRDMQMC-OAHLLOKOSA-N 0 0 331.416 1.519 10 0 EDAERN CCCNc1nc(-c2cn[nH]n2)nc(C)c1I ZINC000159011938 528574614 /nfs/dbraw/zinc/57/46/14/528574614.db2.gz QNFSAQGWEMZBCC-UHFFFAOYSA-N 0 0 344.160 1.997 10 0 EDAERN CC(C)n1ncc(N[C@H](C)C[S@](C)=O)c(Br)c1=O ZINC000158730058 528653402 /nfs/dbraw/zinc/65/34/02/528653402.db2.gz FPTQVYBYYNUSKW-NTCNTBNZSA-N 0 0 336.255 1.766 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)C(=O)NCC1CCCCC1 ZINC000176575543 528704045 /nfs/dbraw/zinc/70/40/45/528704045.db2.gz XACLZKDDPUDWEW-SFDCACGMSA-N 0 0 341.481 1.588 10 0 EDAERN CCOCCN(C)S(=O)(=O)c1ccc(N)cc1Br ZINC000157704849 528715012 /nfs/dbraw/zinc/71/50/12/528715012.db2.gz QBJOSBZCJQFLDL-UHFFFAOYSA-N 0 0 337.239 1.688 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1C ZINC000154806346 528745022 /nfs/dbraw/zinc/74/50/22/528745022.db2.gz BTJAIHPOMFFTEM-CYBMUJFWSA-N 0 0 336.440 1.117 10 0 EDAERN CCCC[C@@H](C(=O)OC)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000173335801 528748277 /nfs/dbraw/zinc/74/82/77/528748277.db2.gz BUKXYPDXVRASFR-KRWDZBQOSA-N 0 0 336.480 1.886 10 0 EDAERN CCCn1ncc(NC[C@@H](C)[S@@](C)=O)c(Br)c1=O ZINC000158688241 528883479 /nfs/dbraw/zinc/88/34/79/528883479.db2.gz HGYXVOSTGWGAHN-CVJBHZAOSA-N 0 0 336.255 1.595 10 0 EDAERN CC(C)NC(=O)[C@@H]1COCCN1Cc1ccc(Br)cn1 ZINC000168427135 529146947 /nfs/dbraw/zinc/14/69/47/529146947.db2.gz VEVDEZVZVSMIHL-ZDUSSCGKSA-N 0 0 342.237 1.570 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000181128636 529227643 /nfs/dbraw/zinc/22/76/43/529227643.db2.gz GFVPVHMTWLHRNW-MRXNPFEDSA-N 0 0 348.447 1.309 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000195279082 535027115 /nfs/dbraw/zinc/02/71/15/535027115.db2.gz OEWDWTIRKKPJCZ-KGLIPLIRSA-N 0 0 336.436 1.418 10 0 EDAERN CCCS(=O)(=O)CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246805231 535294859 /nfs/dbraw/zinc/29/48/59/535294859.db2.gz SXMYEICGDGHXGI-DOMZBBRYSA-N 0 0 333.400 1.897 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1nc2ccc(F)cn2n1)C(C)C ZINC000085743901 535379682 /nfs/dbraw/zinc/37/96/82/535379682.db2.gz VTIYTSHNEYNPFH-CQSZACIVSA-N 0 0 335.383 1.994 10 0 EDAERN CCN(CC)S(=O)(=O)CC(=O)N1CCCc2c(N)cccc21 ZINC000236948134 535615739 /nfs/dbraw/zinc/61/57/39/535615739.db2.gz QHLPRHZECUJDGW-UHFFFAOYSA-N 0 0 325.434 1.220 10 0 EDAERN CCN1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000248170533 535762767 /nfs/dbraw/zinc/76/27/67/535762767.db2.gz UQYXZWXWUXHSGG-UONOGXRCSA-N 0 0 330.350 1.997 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)[C@H]2COc3ccccc32)CC1 ZINC000248481825 535988964 /nfs/dbraw/zinc/98/89/64/535988964.db2.gz ILUBWISBNGPQRA-HLLBOEOZSA-N 0 0 347.459 1.649 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1nc(C3CC3)cs1)CC2 ZINC000140813481 536164344 /nfs/dbraw/zinc/16/43/44/536164344.db2.gz HQQUQTNHZAOVOS-LLVKDONJSA-N 0 0 346.460 1.989 10 0 EDAERN CN[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)c1cnn(C)c1 ZINC000262556457 536337606 /nfs/dbraw/zinc/33/76/06/536337606.db2.gz PPOKZLPDJRUFOT-MRXNPFEDSA-N 0 0 345.378 1.585 10 0 EDAERN COC(=O)c1ccc(CCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000068430160 536648385 /nfs/dbraw/zinc/64/83/85/536648385.db2.gz QERNEJSOKFYCNC-MRXNPFEDSA-N 0 0 342.399 1.861 10 0 EDAERN COc1ccccc1C(C)=CC(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794078237 580871900 /nfs/dbraw/zinc/87/19/00/580871900.db2.gz RSLAOPZAISDYLG-GFBZKKKVSA-N 0 0 342.399 1.727 10 0 EDAERN O=C(c1ccccc1OCC1CC1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794114227 580875197 /nfs/dbraw/zinc/87/51/97/580875197.db2.gz CEAHAZJXGVXYFB-SFHVURJKSA-N 0 0 342.399 1.717 10 0 EDAERN CN(CCOCC1CC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C ZINC000888075942 590929563 /nfs/dbraw/zinc/92/95/63/590929563.db2.gz CGUMQQLPYQVGSL-YOEHRIQHSA-N 0 0 348.447 1.215 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)N2CCOc3ccc(F)cc32)C1=O ZINC000888075985 590929597 /nfs/dbraw/zinc/92/95/97/590929597.db2.gz LVZZVIIFTPNIST-OAHLLOKOSA-N 0 0 336.363 1.579 10 0 EDAERN CNC(=O)c1cncc(/C=C\c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)c1 ZINC000888078958 590935376 /nfs/dbraw/zinc/93/53/76/590935376.db2.gz NDRHLWIOZHQNGI-UTWMECEDSA-N 0 0 343.387 1.386 10 0 EDAERN CN(Cc1ncc(Cl)n1C)C(=O)[C@@H]1CCCO[C@H]1c1cc[nH]n1 ZINC000888078999 590935466 /nfs/dbraw/zinc/93/54/66/590935466.db2.gz UCKMXINUCAJPKG-QMTHXVAHSA-N 0 0 337.811 1.923 10 0 EDAERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093795 591023252 /nfs/dbraw/zinc/02/32/52/591023252.db2.gz SSEQGCIUBCGIJU-UONOGXRCSA-N 0 0 346.387 1.245 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3cccnn3)CC2)n1 ZINC000152098424 591541449 /nfs/dbraw/zinc/54/14/49/591541449.db2.gz MZYIURCQSATOFA-LLVKDONJSA-N 0 0 331.380 1.333 10 0 EDAERN O=C(c1cc2c(cc1O)OCO2)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899076384 591674106 /nfs/dbraw/zinc/67/41/06/591674106.db2.gz NNEMRIVWLPBPMP-NSHDSACASA-N 0 0 342.355 1.677 10 0 EDAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)C/C=C\c1ccc(F)cc1)C2 ZINC000818350603 593694151 /nfs/dbraw/zinc/69/41/51/593694151.db2.gz LRRRNEWJYQKVPR-SFAKSCPVSA-N 0 0 343.362 1.025 10 0 EDAERN CN(CCS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000102804724 595116181 /nfs/dbraw/zinc/11/61/81/595116181.db2.gz FZYPCEVKCYUUES-ZJUUUORDSA-N 0 0 330.372 1.794 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(Cn2nnn(C(C)(C)C)c2=S)C1 ZINC000101538797 595166383 /nfs/dbraw/zinc/16/63/83/595166383.db2.gz NARYCZTUXVZFER-LBPRGKRZSA-N 0 0 340.497 1.902 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1cccnc1Cl ZINC000105889118 595494604 /nfs/dbraw/zinc/49/46/04/595494604.db2.gz PCXRRSVMNXNXDN-GFCCVEGCSA-N 0 0 335.795 1.271 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C[C@@H]1C ZINC000117291026 595615353 /nfs/dbraw/zinc/61/53/53/595615353.db2.gz GVTBRSVLCOHCRY-GUYCJALGSA-N 0 0 349.406 1.498 10 0 EDAERN Cc1[nH]c(=S)sc1CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111081736 595667932 /nfs/dbraw/zinc/66/79/32/595667932.db2.gz HNRBDAFIICTXST-LLVKDONJSA-N 0 0 338.458 1.781 10 0 EDAERN Cc1cc(-n2c(C)cn(CN3CC[C@@H](c4cnn(C)c4)C3)c2=O)no1 ZINC000116259587 595863077 /nfs/dbraw/zinc/86/30/77/595863077.db2.gz UXZAHOSMZLHXJU-CQSZACIVSA-N 0 0 342.403 1.424 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NCc2cn3cc(Cl)ccc3n2)cn1 ZINC000862494047 596335930 /nfs/dbraw/zinc/33/59/30/596335930.db2.gz IUMHELWEKLPWKN-LSDHHAIUSA-N 0 0 347.806 1.657 10 0 EDAERN CCCn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000122930797 596749571 /nfs/dbraw/zinc/74/95/71/596749571.db2.gz LJWHZLGDLHXTCQ-DYVFJYSZSA-N 0 0 334.420 1.385 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cccnc2Br)C1 ZINC000120019323 596874796 /nfs/dbraw/zinc/87/47/96/596874796.db2.gz PNAJLZBWMLKJPI-JTQLQIEISA-N 0 0 341.209 1.977 10 0 EDAERN CCCCOC(=O)CCN1CCN(c2nccc(OCC)n2)CC1 ZINC000155149866 697378485 /nfs/dbraw/zinc/37/84/85/697378485.db2.gz GHYIFWYTQCLHTQ-UHFFFAOYSA-N 0 0 336.436 1.731 10 0 EDAERN CCn1cc(C2CCN(CN3C[C@H](C(=O)OC)CC3=O)CC2)cn1 ZINC000181375718 699526458 /nfs/dbraw/zinc/52/64/58/699526458.db2.gz KTFIWJSBECTEEI-CQSZACIVSA-N 0 0 334.420 1.061 10 0 EDAERN CC(C)c1nn(C)c(N2CCOCC2)c1CNCC(F)(F)CO ZINC000183865773 702731097 /nfs/dbraw/zinc/73/10/97/702731097.db2.gz PLXRKGAZNKLGOJ-UHFFFAOYSA-N 0 0 332.395 1.097 10 0 EDAERN CC(=O)[C@H](NC(=O)Cn1nc(C)c(Br)c1C)C(C)C ZINC000050593722 214060631 /nfs/dbraw/zinc/06/06/31/214060631.db2.gz WKKRQGBMSMAXLR-CYBMUJFWSA-N 0 0 330.226 1.992 10 0 EDAERN CCCNc1ccc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000050712140 214068642 /nfs/dbraw/zinc/06/86/42/214068642.db2.gz DLHTUBKZGCVWEM-SECBINFHSA-N 0 0 331.825 1.474 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N[C@@H](C)Cn1cccn1 ZINC000050791374 214070211 /nfs/dbraw/zinc/07/02/11/214070211.db2.gz RWVLYFCYDHTEMT-VIFPVBQESA-N 0 0 338.209 1.901 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CCC(c4cc[nH]n4)CC3)nc2n1 ZINC000125680790 222593094 /nfs/dbraw/zinc/59/30/94/222593094.db2.gz CVCDGLXFWYFUIK-UHFFFAOYSA-N 0 0 339.403 1.413 10 0 EDAERN NC(=S)c1ccccc1S(=O)(=O)N1CCC[C@@H]1CCCO ZINC000052763781 214143455 /nfs/dbraw/zinc/14/34/55/214143455.db2.gz WUTGXCADGQQCIO-LLVKDONJSA-N 0 0 328.459 1.246 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)N2CCC[C@@H]2CCCO)cc1 ZINC000052763785 214143719 /nfs/dbraw/zinc/14/37/19/214143719.db2.gz RQYSHZGJRBFQAN-GFCCVEGCSA-N 0 0 328.459 1.246 10 0 EDAERN Cc1nc2n(n1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC000330213961 282111616 /nfs/dbraw/zinc/11/16/16/282111616.db2.gz FTGYZCQKPJNRKT-UHFFFAOYSA-N 0 0 333.399 1.947 10 0 EDAERN COC(=O)C[C@H](NC(=O)c1cc(C(N)=O)cs1)c1ccccc1 ZINC000053152810 214166550 /nfs/dbraw/zinc/16/65/50/214166550.db2.gz ZPLRRJSPZPIVJA-LBPRGKRZSA-N 0 0 332.381 1.881 10 0 EDAERN COCc1c(Br)cccc1NC(=O)c1n[nH]c(N)n1 ZINC000055168965 214282880 /nfs/dbraw/zinc/28/28/80/214282880.db2.gz AFYGVSUSCHWILH-UHFFFAOYSA-N 0 0 326.154 1.548 10 0 EDAERN Cc1nc(N)sc1C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000055175279 214283214 /nfs/dbraw/zinc/28/32/14/214283214.db2.gz SHMIHIJRYXSHKF-UHFFFAOYSA-N 0 0 326.403 1.658 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)NCc3ccc(F)cc3)C2)c1 ZINC000173573754 230975241 /nfs/dbraw/zinc/97/52/41/230975241.db2.gz UWOQQYXFXQOBPW-MRXNPFEDSA-N 0 0 344.390 1.811 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000174008197 231098004 /nfs/dbraw/zinc/09/80/04/231098004.db2.gz GCDHVOSUHOZAQG-CQSZACIVSA-N 0 0 335.379 1.006 10 0 EDAERN Cc1ccc([C@H](CNC(=O)NCCCO)N2CCOCC2)s1 ZINC000175009137 231365516 /nfs/dbraw/zinc/36/55/16/231365516.db2.gz OYPDJBXPLGLVKS-ZDUSSCGKSA-N 0 0 327.450 1.111 10 0 EDAERN Cc1cc([C@](C)(O)CNC(=O)N[C@H]2CCc3ncnn3C2)c(C)o1 ZINC000175110124 231386151 /nfs/dbraw/zinc/38/61/51/231386151.db2.gz ACMAZSVWZYOTQA-BLLLJJGKSA-N 0 0 333.392 1.010 10 0 EDAERN CCn1nc(C)c(Br)c1CN1C[C@H](O)C[C@@H]1C(=O)OC ZINC000169034366 529599613 /nfs/dbraw/zinc/59/96/13/529599613.db2.gz UDEVIHMRCZAIMW-NXEZZACHSA-N 0 0 346.225 1.082 10 0 EDAERN Cc1ccc(S(=O)(=O)NC[C@@H]2Oc3ccccc3NC2=O)cc1C ZINC000049739122 214029811 /nfs/dbraw/zinc/02/98/11/214029811.db2.gz OOVQHKNYMOYTGO-INIZCTEOSA-N 0 0 346.408 1.981 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)O)cc1 ZINC000098076082 219079446 /nfs/dbraw/zinc/07/94/46/219079446.db2.gz VJUPAZARGXGAOJ-DZGCQCFKSA-N 0 0 342.461 1.185 10 0 EDAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)[nH]1 ZINC000173738163 529701880 /nfs/dbraw/zinc/70/18/80/529701880.db2.gz HIRRHYNAARUIOK-GFCCVEGCSA-N 0 0 340.380 1.268 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1c(C)nn(C)c1C)CC2 ZINC000174969043 529751355 /nfs/dbraw/zinc/75/13/55/529751355.db2.gz LCFXXIUGTRNJOE-GFCCVEGCSA-N 0 0 331.424 1.005 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(C)cnc1OC)CC2 ZINC000174960516 529751368 /nfs/dbraw/zinc/75/13/68/529751368.db2.gz RQIBBHOESRQJNH-LLVKDONJSA-N 0 0 330.392 1.689 10 0 EDAERN CCc1nn(C)c(CN2C[C@H](CO)OC(C)(C)C2)c1Br ZINC000163740731 529766785 /nfs/dbraw/zinc/76/67/85/529766785.db2.gz ZHYFLKCQLZAYKL-SNVBAGLBSA-N 0 0 346.269 1.717 10 0 EDAERN CCc1nn(C)c(CN2CCOC[C@@H]2C(=O)OC)c1Br ZINC000163575874 529766821 /nfs/dbraw/zinc/76/68/21/529766821.db2.gz QKFFJINXLJUIHT-LLVKDONJSA-N 0 0 346.225 1.119 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000154364896 529766912 /nfs/dbraw/zinc/76/69/12/529766912.db2.gz AVMARUWLSYYICG-GHMZBOCLSA-N 0 0 328.844 1.163 10 0 EDAERN Cc1cc(NC(=O)CNC(=O)Cc2ccc3c(c2)OCCO3)no1 ZINC000062279387 214709457 /nfs/dbraw/zinc/70/94/57/214709457.db2.gz ZIIYNJDMRHLSKT-UHFFFAOYSA-N 0 0 331.328 1.052 10 0 EDAERN CNC(=O)CCCN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179541742 529850924 /nfs/dbraw/zinc/85/09/24/529850924.db2.gz RXUHZBXTPAQLAF-YOEHRIQHSA-N 0 0 349.406 1.330 10 0 EDAERN CC(=O)Nc1nc(C(=O)N2CCC(Cn3cccn3)CC2)cs1 ZINC000126166124 222663212 /nfs/dbraw/zinc/66/32/12/222663212.db2.gz FTFCOMJRXQUTKD-UHFFFAOYSA-N 0 0 333.417 1.850 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000101564385 219137831 /nfs/dbraw/zinc/13/78/31/219137831.db2.gz MNWWRLNHCJNLDS-HNNXBMFYSA-N 0 0 346.431 1.715 10 0 EDAERN CN1CCN(C(=O)NCC(=O)NCC2CC2)[C@H](c2ccccc2)C1 ZINC000183792072 530068688 /nfs/dbraw/zinc/06/86/88/530068688.db2.gz MGKOAUCJDBLEPZ-INIZCTEOSA-N 0 0 330.432 1.211 10 0 EDAERN CSCC[C@@H](NC(=O)CN(C)C(C)=O)c1nc2ccccc2[nH]1 ZINC000046131274 213785245 /nfs/dbraw/zinc/78/52/45/213785245.db2.gz RXIHXMLLHBNQCJ-CQSZACIVSA-N 0 0 334.445 1.952 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C)C1 ZINC000102102188 219186712 /nfs/dbraw/zinc/18/67/12/219186712.db2.gz IWCDQZNXNUCZKP-CQSZACIVSA-N 0 0 349.406 1.980 10 0 EDAERN CCN(CC)C(=O)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2CO1 ZINC000003643470 210070725 /nfs/dbraw/zinc/07/07/25/210070725.db2.gz LCOQCSWRNWGOIT-CRAIPNDOSA-N 0 0 348.443 1.870 10 0 EDAERN CC1(C)CO[C@@H](c2ccccc2)CN1CCCN1C(=O)CNC1=O ZINC000066896603 215093053 /nfs/dbraw/zinc/09/30/53/215093053.db2.gz GRIFLVIYJRMGJM-OAHLLOKOSA-N 0 0 331.416 1.780 10 0 EDAERN C[C@@H](NC(=O)C1CCC(C(=O)N[C@@H](C)[C@H](C)CO)CC1)[C@H](C)CO ZINC000245654158 539595395 /nfs/dbraw/zinc/59/53/95/539595395.db2.gz KTGZPZWLTGMFNE-MSIGHWPWSA-N 0 0 342.480 1.059 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccccc1-n1ncc2c1nc[nH]c2=O ZINC000103378689 219295367 /nfs/dbraw/zinc/29/53/67/219295367.db2.gz CYDNDOFMHWMEFZ-JTQLQIEISA-N 0 0 327.344 1.330 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000103432627 219298066 /nfs/dbraw/zinc/29/80/66/219298066.db2.gz QSMYLWRTYMSSQH-HNNXBMFYSA-N 0 0 336.432 1.296 10 0 EDAERN COC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000103435487 219299391 /nfs/dbraw/zinc/29/93/91/219299391.db2.gz KLCBNNIHAKAOHA-GXFFZTMASA-N 0 0 326.393 1.948 10 0 EDAERN CC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OCc1ccccc1 ZINC000669380995 539742421 /nfs/dbraw/zinc/74/24/21/539742421.db2.gz VHVYEHSFGPPDLO-OAHLLOKOSA-N 0 0 348.399 1.921 10 0 EDAERN CC(C)OC1CCC(NC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000151994116 539787846 /nfs/dbraw/zinc/78/78/46/539787846.db2.gz DXUQGPAHXOHJGD-AQFXKWCLSA-N 0 0 339.480 1.839 10 0 EDAERN CC(=O)Nc1ccc(CNS(=O)(=O)c2cc(N)cs2)cc1 ZINC000041068302 213412190 /nfs/dbraw/zinc/41/21/90/213412190.db2.gz UBROGZUUMBNMEX-UHFFFAOYSA-N 0 0 325.415 1.767 10 0 EDAERN Nc1csc(S(=O)(=O)N2CCC(NC(=O)C3CC3)CC2)c1 ZINC000041068133 213412816 /nfs/dbraw/zinc/41/28/16/213412816.db2.gz ZUUHJTCXYZXELI-UHFFFAOYSA-N 0 0 329.447 1.010 10 0 EDAERN C[C@@H]1COC[C@H](C)N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000040635193 213362282 /nfs/dbraw/zinc/36/22/82/213362282.db2.gz OKCJVFMPRQWTNX-BETUJISGSA-N 0 0 338.429 1.611 10 0 EDAERN O=C([O-])C[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000040550560 213347407 /nfs/dbraw/zinc/34/74/07/213347407.db2.gz SCQVCVVAGVJPRN-UHFFFAOYSA-N 0 0 342.193 1.683 10 0 EDAERN CC(C)(C)OC(=O)N1CC(N)(c2ncc(Br)cn2)C1 ZINC000675074268 539853295 /nfs/dbraw/zinc/85/32/95/539853295.db2.gz SGNLUQDKRLJNIY-UHFFFAOYSA-N 0 0 329.198 1.644 10 0 EDAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(N)cc(Cl)c2F)C1 ZINC000040501904 213324591 /nfs/dbraw/zinc/32/45/91/213324591.db2.gz HAFJGMKUHBOLTH-SNVBAGLBSA-N 0 0 335.832 1.824 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1F ZINC000181680122 234283293 /nfs/dbraw/zinc/28/32/93/234283293.db2.gz KZNWKDCTRMZVGX-SNVBAGLBSA-N 0 0 340.380 1.028 10 0 EDAERN C[C@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)N1CCOCC1 ZINC000181816867 234335863 /nfs/dbraw/zinc/33/58/63/234335863.db2.gz SMYBDNWGBHXYKU-CYBMUJFWSA-N 0 0 344.419 1.324 10 0 EDAERN Cn1nncc1S(=O)(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000330131253 282903442 /nfs/dbraw/zinc/90/34/42/282903442.db2.gz FNTKLWGZKNNDPH-UHFFFAOYSA-N 0 0 342.371 1.662 10 0 EDAERN O=C(NC[C@H]1CCCC[C@@H]1O)Nc1ccccc1CN1CCNC1=O ZINC000182754755 234748720 /nfs/dbraw/zinc/74/87/20/234748720.db2.gz REPKQORQVSKKDA-CJNGLKHVSA-N 0 0 346.431 1.884 10 0 EDAERN CN(C)C(=S)O[C@H]1[C@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000105141120 219464032 /nfs/dbraw/zinc/46/40/32/219464032.db2.gz YRVWTRBCQUSOPF-HGCLJGPKSA-N 0 0 347.433 1.246 10 0 EDAERN C[C@H]1C[C@@H](C(=O)Nc2cnn(CC(=O)NCCO)c2)CC(C)(C)C1 ZINC000182989939 234847476 /nfs/dbraw/zinc/84/74/76/234847476.db2.gz ZJTDKBWERVGVDJ-QWHCGFSZSA-N 0 0 336.436 1.393 10 0 EDAERN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000069657054 215520980 /nfs/dbraw/zinc/52/09/80/215520980.db2.gz VSAITGGJLYYQLZ-GFCCVEGCSA-N 0 0 340.383 1.423 10 0 EDAERN Cc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1N1CCCC1=O ZINC000038696809 213221973 /nfs/dbraw/zinc/22/19/73/213221973.db2.gz RGCQYTXAQLRANL-UHFFFAOYSA-N 0 0 329.356 1.209 10 0 EDAERN C[C@@H]1CCC[N@@H+]([C@@H](c2ccc(F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)C1 ZINC000020156035 540057253 /nfs/dbraw/zinc/05/72/53/540057253.db2.gz VHXHWZXCYQCQHS-YGRLFVJLSA-N 0 0 333.363 1.729 10 0 EDAERN O=S(=O)(c1ccc(N[C@@H]2CCc3ncnn3C2)cc1)C(F)(F)F ZINC000105793065 219526787 /nfs/dbraw/zinc/52/67/87/219526787.db2.gz ILMIPKDISWKWRT-SNVBAGLBSA-N 0 0 346.334 1.999 10 0 EDAERN CC(C)[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCCC1=O ZINC000105815381 219538873 /nfs/dbraw/zinc/53/88/73/219538873.db2.gz ALTZSXGTXCKBRG-KRWDZBQOSA-N 0 0 345.447 1.527 10 0 EDAERN Cc1nn2c3c(c(=O)[nH]c2c1I)CSC3 ZINC000229930699 540095897 /nfs/dbraw/zinc/09/58/97/540095897.db2.gz BYLWWMLBEUJTBI-UHFFFAOYSA-N 0 0 333.154 1.682 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)CCc3nnc[nH]3)CC2)cn1 ZINC000177213697 540103762 /nfs/dbraw/zinc/10/37/62/540103762.db2.gz MZOHVTDWVKCTEI-UHFFFAOYSA-N 0 0 345.451 1.033 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cccc(-c2nnc(COC)o2)c1)C(C)C ZINC000179775413 540119928 /nfs/dbraw/zinc/11/99/28/540119928.db2.gz ZHIXISXRMPSFAN-CQSZACIVSA-N 0 0 346.387 1.383 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3cn(C)nc3CC)CC2)n1 ZINC000180110747 540120407 /nfs/dbraw/zinc/12/04/07/540120407.db2.gz RVDSJCVEXYLETD-UHFFFAOYSA-N 0 0 344.463 1.802 10 0 EDAERN COCCC(C)(C)CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000185843797 540149185 /nfs/dbraw/zinc/14/91/85/540149185.db2.gz OHTPMAOGNGZILW-LBPRGKRZSA-N 0 0 332.400 1.850 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2=O)n(C)n1 ZINC000190538220 540170644 /nfs/dbraw/zinc/17/06/44/540170644.db2.gz PZDMFPVGUBDFMF-ZDUSSCGKSA-N 0 0 342.403 1.254 10 0 EDAERN O=C(Nc1cc(C(F)(F)F)ccn1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000193449081 540183311 /nfs/dbraw/zinc/18/33/11/540183311.db2.gz BKZWOPOIXXDENO-ONGXEEELSA-N 0 0 345.321 1.706 10 0 EDAERN COCCN1CCN(CC(=O)Nc2ccc(F)cc2F)C[C@H]1C ZINC000105832105 219552055 /nfs/dbraw/zinc/55/20/55/219552055.db2.gz DVQKEPGMPHFDFO-GFCCVEGCSA-N 0 0 327.375 1.556 10 0 EDAERN CCOCc1ccc(CNC(=O)CN2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000077170164 138251710 /nfs/dbraw/zinc/25/17/10/138251710.db2.gz DVXZIDSYPULRNX-GOSISDBHSA-N 0 0 347.459 1.440 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCCOc1ccc(Cl)cc1 ZINC000091784790 138285037 /nfs/dbraw/zinc/28/50/37/138285037.db2.gz BQSDBCQMBGNVCR-CYBMUJFWSA-N 0 0 326.780 1.212 10 0 EDAERN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000038008753 213189037 /nfs/dbraw/zinc/18/90/37/213189037.db2.gz HEDWXWDMZBNYQX-NSHDSACASA-N 0 0 332.809 1.841 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088511125 138272492 /nfs/dbraw/zinc/27/24/92/138272492.db2.gz AVXNRUHXWREXTP-NSHDSACASA-N 0 0 332.397 1.524 10 0 EDAERN CC[N@H+](CC(=O)[O-])Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000038017600 213190482 /nfs/dbraw/zinc/19/04/82/213190482.db2.gz BPSIIVNAWGAGCB-UHFFFAOYSA-N 0 0 340.177 1.364 10 0 EDAERN Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000098099231 138297691 /nfs/dbraw/zinc/29/76/91/138297691.db2.gz FZYOPJYZFPOZHX-LLVKDONJSA-N 0 0 339.355 1.926 10 0 EDAERN CC(C)CCN(CCC(C)C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000092228830 138287038 /nfs/dbraw/zinc/28/70/38/138287038.db2.gz BMOMUDDSKNIIJN-HNNXBMFYSA-N 0 0 327.469 1.093 10 0 EDAERN COc1ccc(Br)cc1S(=O)(=O)NCc1cn[nH]c1 ZINC000038007239 213188634 /nfs/dbraw/zinc/18/86/34/213188634.db2.gz DBLIDENQRGFGCK-UHFFFAOYSA-N 0 0 346.206 1.659 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105848167 138302202 /nfs/dbraw/zinc/30/22/02/138302202.db2.gz ORHMPWQPPIOCPR-AWEZNQCLSA-N 0 0 343.431 1.934 10 0 EDAERN Cc1n[nH]c(C)c1NC(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105909462 138302506 /nfs/dbraw/zinc/30/25/06/138302506.db2.gz OWQQIBFKBTTYRM-UHFFFAOYSA-N 0 0 343.435 1.276 10 0 EDAERN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(Nc2cccnn2)CC1 ZINC000105910031 138302579 /nfs/dbraw/zinc/30/25/79/138302579.db2.gz OESVCXUDDBGNAT-ZFWWWQNUSA-N 0 0 333.436 1.037 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)/C=C/c3ccc(O)cc3)CC2)no1 ZINC000125128885 138332369 /nfs/dbraw/zinc/33/23/69/138332369.db2.gz FTOWSVQKYDLIJC-VMPITWQZSA-N 0 0 342.399 1.831 10 0 EDAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125667878 138335588 /nfs/dbraw/zinc/33/55/88/138335588.db2.gz CQRNEKXQZABELF-JTQLQIEISA-N 0 0 347.448 1.618 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CO ZINC000037929739 213173265 /nfs/dbraw/zinc/17/32/65/213173265.db2.gz LGGVKOHXKVRARJ-JTQLQIEISA-N 0 0 349.250 1.567 10 0 EDAERN C[C@H]1CN(C(=O)NCC(C)(C)c2ccncc2)C[C@@H]1N1CCOCC1 ZINC000130329112 138340797 /nfs/dbraw/zinc/34/07/97/138340797.db2.gz LWDMHDWJNAJYIW-RDJZCZTQSA-N 0 0 346.475 1.721 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000130532658 138342094 /nfs/dbraw/zinc/34/20/94/138342094.db2.gz VCNPVDWGPFKCJJ-IJLUTSLNSA-N 0 0 338.354 1.954 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)O1 ZINC000130714193 138345252 /nfs/dbraw/zinc/34/52/52/138345252.db2.gz FUNJWXFFVWPKNQ-PBHICJAKSA-N 0 0 335.423 1.631 10 0 EDAERN CCCN(CC(F)F)C(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000130896088 138349286 /nfs/dbraw/zinc/34/92/86/138349286.db2.gz JSAIWGGXBFKVEX-NSHDSACASA-N 0 0 326.409 1.694 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CSCc1cscn1)CC2 ZINC000131286426 138356530 /nfs/dbraw/zinc/35/65/30/138356530.db2.gz HXUWFGOHQVHGOJ-SNVBAGLBSA-N 0 0 337.474 1.661 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1nnc2n1CCCC2 ZINC000131559896 138361566 /nfs/dbraw/zinc/36/15/66/138361566.db2.gz DSKRNTRXMWMJNN-MNOVXSKESA-N 0 0 337.424 1.705 10 0 EDAERN CCOc1cccc2[nH]cc(CC(=O)NC[C@@H](C)N3CCOCC3)c21 ZINC000187084674 236113797 /nfs/dbraw/zinc/11/37/97/236113797.db2.gz WTCLAITUOZVBJD-CQSZACIVSA-N 0 0 345.443 1.946 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cccc(F)c1C(N)=S)[C@H]1CCCO1 ZINC000070395176 215688888 /nfs/dbraw/zinc/68/88/88/215688888.db2.gz LGDJLASXWXQANW-PSASIEDQSA-N 0 0 332.422 1.306 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C(N)=S)C[C@@H](C)O1 ZINC000070395040 215689225 /nfs/dbraw/zinc/68/92/25/215689225.db2.gz FNRKMTXIEZOJIX-RKDXNWHRSA-N 0 0 332.422 1.258 10 0 EDAERN CC(C)C(=O)N1CCN([C@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255769 213079242 /nfs/dbraw/zinc/07/92/42/213079242.db2.gz XKBLALAOARSFGY-KRWDZBQOSA-N 0 0 335.492 1.968 10 0 EDAERN C[C@H]1CCCCCN1S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000070412107 215689847 /nfs/dbraw/zinc/68/98/47/215689847.db2.gz RGPPKODNJIMWOA-NSHDSACASA-N 0 0 332.447 1.287 10 0 EDAERN Cc1nc(S(=O)(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c[nH]1 ZINC000070421368 215690093 /nfs/dbraw/zinc/69/00/93/215690093.db2.gz HJQQCMFLCRQMRZ-VXGBXAGGSA-N 0 0 331.463 1.393 10 0 EDAERN O=C([C@@H]1CCCO1)N1CC(=O)N2CCc3ccc(Cl)cc3[C@@H]2C1 ZINC000036138127 213073144 /nfs/dbraw/zinc/07/31/44/213073144.db2.gz SKLNMGITSQNTTO-GJZGRUSLSA-N 0 0 334.803 1.787 10 0 EDAERN CCOC(=O)C(=O)N1CC(=O)N2CCc3ccc(Cl)cc3[C@@H]2C1 ZINC000036138263 213072763 /nfs/dbraw/zinc/07/27/63/213072763.db2.gz BWFMTZOTNOGUSH-ZDUSSCGKSA-N 0 0 336.775 1.171 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1CCN2CCc3ccccc3[C@@H]2C1 ZINC000036125887 213071093 /nfs/dbraw/zinc/07/10/93/213071093.db2.gz SHTHNZIMGWTKAK-INIZCTEOSA-N 0 0 347.440 1.895 10 0 EDAERN NC(=O)c1ccc(N)cc1-n1cc(I)cn1 ZINC000070677010 215704785 /nfs/dbraw/zinc/70/47/85/215704785.db2.gz UTTQAZXOWCJCOY-UHFFFAOYSA-N 0 0 328.113 1.158 10 0 EDAERN CCCS(=O)(=O)NC[C@@H](c1ccccc1OC)N1CCOCC1 ZINC000036092049 213062101 /nfs/dbraw/zinc/06/21/01/213062101.db2.gz YJNIIZRVGQQVDI-HNNXBMFYSA-N 0 0 342.461 1.398 10 0 EDAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187565383 236247507 /nfs/dbraw/zinc/24/75/07/236247507.db2.gz XRPARCVUZRYWOW-CQDKDKBSSA-N 0 0 348.424 1.694 10 0 EDAERN CCC(=O)N1[C@H](C(=O)NC[C@H]2CCCO2)COC12CCC(C)CC2 ZINC000036018080 213056102 /nfs/dbraw/zinc/05/61/02/213056102.db2.gz FTNQVKAMSGSEJV-DGSCNEQVSA-N 0 0 338.448 1.825 10 0 EDAERN COc1cccc(-c2cc(C(=O)N(C)CC(=O)NC3CC3)no2)c1 ZINC000036002605 213054014 /nfs/dbraw/zinc/05/40/14/213054014.db2.gz JTDIEIWDBFEMJA-UHFFFAOYSA-N 0 0 329.356 1.701 10 0 EDAERN Cn1nccc1C1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CC1 ZINC000187862774 236320403 /nfs/dbraw/zinc/32/04/03/236320403.db2.gz FVPPLSRUWAJABK-KRWDZBQOSA-N 0 0 339.399 1.714 10 0 EDAERN O=C(Nc1cc(F)ccc1Cl)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979761 236368384 /nfs/dbraw/zinc/36/83/84/236368384.db2.gz ATZUOJSZMRERTP-UHFFFAOYSA-N 0 0 339.754 1.155 10 0 EDAERN CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(N)c(Br)c1 ZINC000071385023 215766350 /nfs/dbraw/zinc/76/63/50/215766350.db2.gz GAIFPKKXDRIWRE-VXGBXAGGSA-N 0 0 349.250 1.877 10 0 EDAERN COC(=O)[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000035160696 213011189 /nfs/dbraw/zinc/01/11/89/213011189.db2.gz NIWGVJBGFLFSTR-XCBNKYQSSA-N 0 0 336.171 1.411 10 0 EDAERN CC[C@@H](CO)N(C[C@@H](C)C(=O)OC)C(=O)COc1ccc(C)cc1 ZINC000071626481 215790131 /nfs/dbraw/zinc/79/01/31/215790131.db2.gz SOSIJQYMPZALIK-CABCVRRESA-N 0 0 337.416 1.782 10 0 EDAERN [NH3+]CCCCCc1nc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000071695044 215795232 /nfs/dbraw/zinc/79/52/32/215795232.db2.gz ZMNAVUWIVJKXBE-LBPRGKRZSA-N 0 0 339.461 1.680 10 0 EDAERN Cn1cnc(-c2ccc(C(=O)N3CC[C@H](c4cnn(C)c4)C3)cc2)n1 ZINC000180197090 138757592 /nfs/dbraw/zinc/75/75/92/138757592.db2.gz BMOQTSPKCSKXJB-HNNXBMFYSA-N 0 0 336.399 1.845 10 0 EDAERN Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)[nH]c(=O)n1 ZINC000181911533 138772500 /nfs/dbraw/zinc/77/25/00/138772500.db2.gz KQNMWTDDNHREKD-WFASDCNBSA-N 0 0 344.346 1.376 10 0 EDAERN COCc1nc(CN2CCCC[C@H]2c2nnc3n2CCCC3)no1 ZINC000182423629 138776379 /nfs/dbraw/zinc/77/63/79/138776379.db2.gz HQTFANZHJGUPPC-LBPRGKRZSA-N 0 0 332.408 1.871 10 0 EDAERN CC[C@@H]1C[C@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)CCO1 ZINC000183756095 138787887 /nfs/dbraw/zinc/78/78/87/138787887.db2.gz IYEJQCVMTQIWPV-HUUCEWRRSA-N 0 0 336.436 1.618 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2c(Cl)nc3ccccn32)n1 ZINC000183761483 138788066 /nfs/dbraw/zinc/78/80/66/138788066.db2.gz ZLLMMLCCVYYXJI-JTQLQIEISA-N 0 0 347.762 1.893 10 0 EDAERN O=C(Cn1cn[nH]c1=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000129610032 223074763 /nfs/dbraw/zinc/07/47/63/223074763.db2.gz XEYSLINIPZGCEC-LLVKDONJSA-N 0 0 337.177 1.138 10 0 EDAERN CCOC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccco3)c2nc1C ZINC000072417085 216205828 /nfs/dbraw/zinc/20/58/28/216205828.db2.gz OXBBGAHTYCMTEC-UHFFFAOYSA-N 0 0 329.312 1.211 10 0 EDAERN CN(C)C(=O)CCN1c2cccc(Br)c2C(=O)C1=O ZINC000037898114 213172835 /nfs/dbraw/zinc/17/28/35/213172835.db2.gz AXUQYWICNCBIPJ-UHFFFAOYSA-N 0 0 325.162 1.457 10 0 EDAERN C[C@H](CCc1ccc(O)cc1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190105207 238218024 /nfs/dbraw/zinc/21/80/24/238218024.db2.gz WZAZVDPYCZEYBT-GFCCVEGCSA-N 0 0 331.416 1.633 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCCc2nc(C)no2)C12CCOCC2 ZINC000185651472 138807348 /nfs/dbraw/zinc/80/73/48/138807348.db2.gz GXEKUXPXIVQAQK-CHWSQXEVSA-N 0 0 338.408 1.194 10 0 EDAERN CSCC[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1nc2ccccc2[nH]1 ZINC000072498219 216263616 /nfs/dbraw/zinc/26/36/16/216263616.db2.gz HQFMVEHSULCXCM-QMTHXVAHSA-N 0 0 334.445 1.998 10 0 EDAERN Cn1cc(N2CC[C@@H](N3CC[C@H](Oc4ccncc4)C3)C2=O)cn1 ZINC000131772059 223271187 /nfs/dbraw/zinc/27/11/87/223271187.db2.gz FLRBLVPGFBJUBM-JKSUJKDBSA-N 0 0 327.388 1.074 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000131998142 223290817 /nfs/dbraw/zinc/29/08/17/223290817.db2.gz OBAPPFRJXTWUPL-CABZTGNLSA-N 0 0 329.360 1.266 10 0 EDAERN Cc1cnn(CCNc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 ZINC000108949118 219935098 /nfs/dbraw/zinc/93/50/98/219935098.db2.gz QVVHVFDILZVGBL-UHFFFAOYSA-N 0 0 335.433 1.483 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000189173100 138863311 /nfs/dbraw/zinc/86/33/11/138863311.db2.gz NTAXHSZNWOSAGJ-ZDUSSCGKSA-N 0 0 347.198 1.000 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)C1 ZINC000189250959 138865331 /nfs/dbraw/zinc/86/53/31/138865331.db2.gz USFWFSWTGXTOEV-UHFFFAOYSA-N 0 0 332.404 1.311 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000022229000 212283141 /nfs/dbraw/zinc/28/31/41/212283141.db2.gz KKJKQZLVDHMEHR-LLVKDONJSA-N 0 0 341.367 1.929 10 0 EDAERN CCOc1ccc2cc(C(=O)N3CC(NC(=O)C4CC4)C3)[nH]c2c1 ZINC000189482222 138875276 /nfs/dbraw/zinc/87/52/76/138875276.db2.gz XYRKTKPORLAVTQ-UHFFFAOYSA-N 0 0 327.384 1.917 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)C3=C(C)OCCC3)CC2)n1 ZINC000133704887 223439102 /nfs/dbraw/zinc/43/91/02/223439102.db2.gz RPZUXOFMZIOUET-LBPRGKRZSA-N 0 0 334.420 1.922 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1sccc1Br ZINC000191321205 138910656 /nfs/dbraw/zinc/91/06/56/138910656.db2.gz KLEKXSAJPAXEIG-QMMMGPOBSA-N 0 0 346.250 1.931 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000191593844 138918522 /nfs/dbraw/zinc/91/85/22/138918522.db2.gz OPCYWGALFSFWJV-SMDDNHRTSA-N 0 0 327.344 1.857 10 0 EDAERN CNc1ccc(Br)cc1C(=O)N1CCN(CCO)CC1 ZINC000255190542 244048093 /nfs/dbraw/zinc/04/80/93/244048093.db2.gz XWJNDFINIUIJBN-UHFFFAOYSA-N 0 0 342.237 1.241 10 0 EDAERN COCCNC(=O)[C@H](C)Nc1ccc(I)cc1 ZINC000020313974 212117698 /nfs/dbraw/zinc/11/76/98/212117698.db2.gz YEWDIGPBNQCFEZ-VIFPVBQESA-N 0 0 348.184 1.854 10 0 EDAERN Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nn1C ZINC000020223639 212113094 /nfs/dbraw/zinc/11/30/94/212113094.db2.gz GKMRASJQEQKAIV-UHFFFAOYSA-N 0 0 342.399 1.415 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000077138174 216844626 /nfs/dbraw/zinc/84/46/26/216844626.db2.gz XZUNGMHMPOIIKL-VXGBXAGGSA-N 0 0 330.388 1.319 10 0 EDAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000193464418 138970078 /nfs/dbraw/zinc/97/00/78/138970078.db2.gz LCPIGYVJVPYAHB-JTQLQIEISA-N 0 0 336.348 1.216 10 0 EDAERN CCOC(=O)[C@H](NC(=O)CCCC(=O)NC)c1ccc(Cl)cc1 ZINC000194762483 139000057 /nfs/dbraw/zinc/00/00/57/139000057.db2.gz CBXLBIPJUKIVNI-OAHLLOKOSA-N 0 0 340.807 1.977 10 0 EDAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN3CCCC[C@@H]3C2)[nH]n1 ZINC000195056097 139005917 /nfs/dbraw/zinc/00/59/17/139005917.db2.gz SFCCQOQRPLNQRR-CQSZACIVSA-N 0 0 342.447 1.737 10 0 EDAERN CCCNC(=O)NC(=O)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195393406 139015683 /nfs/dbraw/zinc/01/56/83/139015683.db2.gz MHUSKKFKVKPEQP-LLVKDONJSA-N 0 0 326.422 1.061 10 0 EDAERN Cc1ccn2ncc(C(=O)N3CCO[C@H](c4nccs4)C3)c2n1 ZINC000110878238 220073754 /nfs/dbraw/zinc/07/37/54/220073754.db2.gz ODFBEVJQRXECBZ-LBPRGKRZSA-N 0 0 329.385 1.708 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000110920267 220080193 /nfs/dbraw/zinc/08/01/93/220080193.db2.gz JBDACGWKZPYTBE-HNNXBMFYSA-N 0 0 348.447 1.377 10 0 EDAERN CN(C)[C@@H](C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000111080992 220097641 /nfs/dbraw/zinc/09/76/41/220097641.db2.gz AOQLQSCNFNVVGY-IAGOWNOFSA-N 0 0 328.416 1.413 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111344266 220142659 /nfs/dbraw/zinc/14/26/59/220142659.db2.gz SPSZAMXDBPCLRI-NSHDSACASA-N 0 0 342.446 1.256 10 0 EDAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000081073706 217358008 /nfs/dbraw/zinc/35/80/08/217358008.db2.gz KCHSRUWINZXVST-AWEZNQCLSA-N 0 0 336.417 1.799 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(F)cccc1F ZINC000081073326 217358153 /nfs/dbraw/zinc/35/81/53/217358153.db2.gz NBHBCMYMOWLPPX-LLVKDONJSA-N 0 0 328.344 1.678 10 0 EDAERN COc1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1F ZINC000111726351 220185408 /nfs/dbraw/zinc/18/54/08/220185408.db2.gz WDMBHWIFSXMUQR-CYBMUJFWSA-N 0 0 334.351 1.964 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)c3ccc(Cl)cc3)CCO2)c1 ZINC000112064265 220237718 /nfs/dbraw/zinc/23/77/18/220237718.db2.gz PVXBFDZIPXDRFG-OAHLLOKOSA-N 0 0 347.802 1.955 10 0 EDAERN COc1cc2c(c(CN3CC[N@H+](C[C@H](C)O)[C@H](C)C3)c1)O[C@H](C)C2 ZINC000245710692 139083952 /nfs/dbraw/zinc/08/39/52/139083952.db2.gz FVXCMFZZVMUCDQ-QLFBSQMISA-N 0 0 334.460 1.906 10 0 EDAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000084524636 217610846 /nfs/dbraw/zinc/61/08/46/217610846.db2.gz BNXOEVBHXGFFIL-JOYOIKCWSA-N 0 0 330.406 1.136 10 0 EDAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000246445192 139108852 /nfs/dbraw/zinc/10/88/52/139108852.db2.gz IEWPHJRBHWBQQD-FGTMMUONSA-N 0 0 335.492 1.286 10 0 EDAERN COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246569378 139113263 /nfs/dbraw/zinc/11/32/63/139113263.db2.gz SKYUYIRRYASVEA-CZUORRHYSA-N 0 0 340.445 1.036 10 0 EDAERN CC[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246860864 139124424 /nfs/dbraw/zinc/12/44/24/139124424.db2.gz INGBRTFBHBGXSD-KBPBESRZSA-N 0 0 326.466 1.753 10 0 EDAERN Cc1cccc(O[C@H](C)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000246981974 139129667 /nfs/dbraw/zinc/12/96/67/139129667.db2.gz MOTJVIPJULZCSI-NUJGCVRESA-N 0 0 332.444 1.941 10 0 EDAERN O=C(c1cccnc1C(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000179924714 296265106 /nfs/dbraw/zinc/26/51/06/296265106.db2.gz TZIZXTMUEVUIPB-LLVKDONJSA-N 0 0 329.322 1.647 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)NCc2cccs2)C[C@@H]1C ZINC000247232650 139141448 /nfs/dbraw/zinc/14/14/48/139141448.db2.gz RJKSAPYWDXDTKO-UONOGXRCSA-N 0 0 325.478 1.405 10 0 EDAERN C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000247402680 139147650 /nfs/dbraw/zinc/14/76/50/139147650.db2.gz YRLQSMYGXYSFHR-ZQIUZPCESA-N 0 0 337.439 1.654 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000248273357 139160023 /nfs/dbraw/zinc/16/00/23/139160023.db2.gz XDCMETHTHXVXJN-CJNGLKHVSA-N 0 0 328.368 1.998 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)N2CCOC(=O)C2(C)C)cc1 ZINC000012193458 211314900 /nfs/dbraw/zinc/31/49/00/211314900.db2.gz OXVTYEDZGWDSQY-UHFFFAOYSA-N 0 0 327.402 1.800 10 0 EDAERN COC(=O)CCCNC(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 ZINC000011873046 211261597 /nfs/dbraw/zinc/26/15/97/211261597.db2.gz LUBIESDWDPVCAU-INIZCTEOSA-N 0 0 346.427 1.537 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000248644964 139169905 /nfs/dbraw/zinc/16/99/05/139169905.db2.gz QSBUKKPBDAZQDB-HZPDHXFCSA-N 0 0 340.851 1.991 10 0 EDAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCN2CCC[C@H]2C1 ZINC000248660325 139170712 /nfs/dbraw/zinc/17/07/12/139170712.db2.gz VWEUNEYBOGKPOB-QMMMGPOBSA-N 0 0 338.326 1.712 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1ccccc1Br ZINC000091780782 218064861 /nfs/dbraw/zinc/06/48/61/218064861.db2.gz SISNWNPJNRIOMP-GFCCVEGCSA-N 0 0 341.205 1.094 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000091782556 218065778 /nfs/dbraw/zinc/06/57/78/218065778.db2.gz SWLJEKTZQSBZEG-JTQLQIEISA-N 0 0 333.171 1.085 10 0 EDAERN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091785189 218065912 /nfs/dbraw/zinc/06/59/12/218065912.db2.gz ATGQVNOMGBRTPB-WFASDCNBSA-N 0 0 334.416 1.464 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1[C@H]1CCN(c2ccccc2OC)C1=O ZINC000248727970 139173424 /nfs/dbraw/zinc/17/34/24/139173424.db2.gz IOVYNBSKXRNTGH-KBXCAEBGSA-N 0 0 332.400 1.828 10 0 EDAERN CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1 ZINC000009781501 211124561 /nfs/dbraw/zinc/12/45/61/211124561.db2.gz NUTNPBSGVPVNBY-JSGCOSHPSA-N 0 0 333.388 1.751 10 0 EDAERN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](O)C[C@@H]1CO ZINC000249297903 139190790 /nfs/dbraw/zinc/19/07/90/139190790.db2.gz NFJZWRRQKMSUTQ-BBBLOLIVSA-N 0 0 333.215 1.748 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CNC(=O)c1ccccc1 ZINC000249333997 139191360 /nfs/dbraw/zinc/19/13/60/139191360.db2.gz QELVDOUSHWSFGK-OAGGEKHMSA-N 0 0 344.411 1.749 10 0 EDAERN COc1cccc(-c2nc([C@@H]3NC(=O)[C@@H]4COCCN34)cs2)c1 ZINC000093885206 218255318 /nfs/dbraw/zinc/25/53/18/218255318.db2.gz JBZMCFDKIBIMSO-UONOGXRCSA-N 0 0 331.397 1.648 10 0 EDAERN C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249543348 139195305 /nfs/dbraw/zinc/19/53/05/139195305.db2.gz FNSJBACLJDRVNO-ADEWGFFLSA-N 0 0 336.379 1.823 10 0 EDAERN COc1ccc(Nc2nc(C(=O)NCC(N)=O)cs2)cc1OC ZINC000009240418 211058487 /nfs/dbraw/zinc/05/84/87/211058487.db2.gz LHPJAOGLCTVQII-UHFFFAOYSA-N 0 0 336.373 1.119 10 0 EDAERN CCN(C(=O)[C@H](C)N[C@H](C)c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000249616887 139196615 /nfs/dbraw/zinc/19/66/15/139196615.db2.gz SYHCJTUOFQQBFH-RDBSUJKOSA-N 0 0 342.461 1.663 10 0 EDAERN O=C1NC(=O)C(CSc2ccncc2)(CSc2ccncc2)N1 ZINC000005940953 210563942 /nfs/dbraw/zinc/56/39/42/210563942.db2.gz GUMLFELGTUQTMW-UHFFFAOYSA-N 0 0 346.437 1.939 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncco2)c1)[C@H]1CCCO1 ZINC000152750127 224006737 /nfs/dbraw/zinc/00/67/37/224006737.db2.gz VECYOWIZNIHREN-BXUZGUMPSA-N 0 0 329.356 1.964 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C)C(=O)C1)C(C)C ZINC000152744065 224007017 /nfs/dbraw/zinc/00/70/17/224007017.db2.gz APTGGSMXCQPRDA-INIZCTEOSA-N 0 0 331.416 1.050 10 0 EDAERN O=C(NCCCOCC1CC1)N1CCC(Nc2cccnn2)CC1 ZINC000153078516 224055172 /nfs/dbraw/zinc/05/51/72/224055172.db2.gz NKAJLOWJNLUFAI-UHFFFAOYSA-N 0 0 333.436 1.879 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1cccc(O)c1 ZINC000153245099 224079064 /nfs/dbraw/zinc/07/90/64/224079064.db2.gz IOEBWHVPLWYUOE-CQSZACIVSA-N 0 0 345.403 1.507 10 0 EDAERN COCCN1CCN(C(=O)CSc2nnc3ccccn32)C[C@@H]1C ZINC000183625835 532950534 /nfs/dbraw/zinc/95/05/34/532950534.db2.gz CHERZWRYPKSNGK-ZDUSSCGKSA-N 0 0 349.460 1.001 10 0 EDAERN COc1cc(N)cc2sc(NC(=O)[C@H](C)S(C)(=O)=O)nc21 ZINC000167828594 532952362 /nfs/dbraw/zinc/95/23/62/532952362.db2.gz QMGPCFHWABGHFW-LURJTMIESA-N 0 0 329.403 1.259 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCCC[C@H]2OC)C1 ZINC000263247805 139330709 /nfs/dbraw/zinc/33/07/09/139330709.db2.gz OPFNYXDGIYAQTO-CLRIEMFWSA-N 0 0 327.425 1.181 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(Br)ccc1C ZINC000168927778 533039849 /nfs/dbraw/zinc/03/98/49/533039849.db2.gz QXAZNBHSBYHMSL-PWSUYJOCSA-N 0 0 342.189 1.506 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCCOCC2)ncn1 ZINC000181685913 533049508 /nfs/dbraw/zinc/04/95/08/533049508.db2.gz WACCOVTVBBJRCW-ZIAGYGMSSA-N 0 0 348.451 1.355 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC2(C3CC3)CC2)ncn1 ZINC000129120858 533051100 /nfs/dbraw/zinc/05/11/00/533051100.db2.gz MWUOOLQBWDWFHA-AWEZNQCLSA-N 0 0 344.463 1.977 10 0 EDAERN COCCOCCS(=O)(=O)c1cc(Br)ccc1N ZINC000167153964 533093171 /nfs/dbraw/zinc/09/31/71/533093171.db2.gz NBGCSRLMTRDYNI-UHFFFAOYSA-N 0 0 338.223 1.468 10 0 EDAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654238 220365640 /nfs/dbraw/zinc/36/56/40/220365640.db2.gz ZPYYQFKIXBKOLE-VXGBXAGGSA-N 0 0 337.424 1.403 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)cn1 ZINC000112715219 220383946 /nfs/dbraw/zinc/38/39/46/220383946.db2.gz YAGIBBHRWDOOOU-WBVHZDCISA-N 0 0 349.479 1.688 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)Nc3nnc(C)s3)CC2)cn1 ZINC000112713106 220383960 /nfs/dbraw/zinc/38/39/60/220383960.db2.gz JTJSGXKGXCOMTN-UHFFFAOYSA-N 0 0 349.464 1.803 10 0 EDAERN C[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)[C@@H](C)N1CCOCC1 ZINC000159211650 533118362 /nfs/dbraw/zinc/11/83/62/533118362.db2.gz LSENYQIPXLFSEK-HUUCEWRRSA-N 0 0 349.479 1.418 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000187628202 533125528 /nfs/dbraw/zinc/12/55/28/533125528.db2.gz QTCVKYJYFUVUEI-GOSISDBHSA-N 0 0 330.384 1.747 10 0 EDAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)C2CCCCC2)C1 ZINC000263510851 139345850 /nfs/dbraw/zinc/34/58/50/139345850.db2.gz XQORXPSZKSGNKV-UHFFFAOYSA-N 0 0 344.477 1.566 10 0 EDAERN CCC[C@@H](NC[C@@H]1CCCN1c1cc(NC)ncn1)C(=O)OCC ZINC000114802785 220753991 /nfs/dbraw/zinc/75/39/91/220753991.db2.gz AYNVWMZKBLEBJX-UONOGXRCSA-N 0 0 335.452 1.809 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(Br)o1)CC2 ZINC000114865096 220768827 /nfs/dbraw/zinc/76/88/27/220768827.db2.gz MGXYUTUFYDSRRE-QMMMGPOBSA-N 0 0 339.193 1.941 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)/C=C/c1ccc3c(c1)OCO3)CC2 ZINC000114866307 220770855 /nfs/dbraw/zinc/77/08/55/220770855.db2.gz JRQVSQCTOPKVSX-FLUIGGAXSA-N 0 0 340.383 1.714 10 0 EDAERN COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165925898 533206453 /nfs/dbraw/zinc/20/64/53/533206453.db2.gz PXVZIQQJKPAPKS-YFKPBYRVSA-N 0 0 327.189 1.415 10 0 EDAERN Cc1ccc([C@@H]2COCCN2C(=O)NC[C@@H](C)N2CCOCC2)o1 ZINC000116940507 221013098 /nfs/dbraw/zinc/01/30/98/221013098.db2.gz MYEWBHNOZUIDDY-HIFRSBDPSA-N 0 0 337.420 1.392 10 0 EDAERN C[NH+](C)C[C@H]1CN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CCO1 ZINC000116977985 221017953 /nfs/dbraw/zinc/01/79/53/221017953.db2.gz GCICOPCEAWQTPW-LBPRGKRZSA-N 0 0 348.378 1.120 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3ccccc3c2O)C[C@H]1C ZINC000117282194 221042551 /nfs/dbraw/zinc/04/25/51/221042551.db2.gz OBDYPHOASJBLLT-CQSZACIVSA-N 0 0 343.427 1.711 10 0 EDAERN COCCN1CCN(C(=O)c2cc(-c3cccnc3)on2)C[C@@H]1C ZINC000117296208 221047592 /nfs/dbraw/zinc/04/75/92/221047592.db2.gz GDMUMKZVLYMRCE-ZDUSSCGKSA-N 0 0 330.388 1.529 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCN1CCOC ZINC000117308846 221051445 /nfs/dbraw/zinc/05/14/45/221051445.db2.gz VOCPDHRHWGDEKP-OAHLLOKOSA-N 0 0 343.431 1.450 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000117522584 221074579 /nfs/dbraw/zinc/07/45/79/221074579.db2.gz CJHMVOCFUINPPX-HNNXBMFYSA-N 0 0 333.432 1.421 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC000117773960 221087376 /nfs/dbraw/zinc/08/73/76/221087376.db2.gz BEFMTUUOTYCQSL-ZDUSSCGKSA-N 0 0 349.431 1.933 10 0 EDAERN NC(=O)CCn1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000117701162 221082621 /nfs/dbraw/zinc/08/26/21/221082621.db2.gz UMNKBEQIXDRIQU-QWRGUYRKSA-N 0 0 334.326 1.779 10 0 EDAERN CCOc1cccc(CNC(=O)N2CCN(CCOC)[C@@H](C)C2)c1 ZINC000117476441 221068652 /nfs/dbraw/zinc/06/86/52/221068652.db2.gz MKAQFZZAEVIKRN-HNNXBMFYSA-N 0 0 335.448 1.947 10 0 EDAERN COc1cc(CCC(=O)NCCn2cc(C)cn2)cc(OC)c1OC ZINC000117817952 221093030 /nfs/dbraw/zinc/09/30/30/221093030.db2.gz WUZYSBKJDYJVSU-UHFFFAOYSA-N 0 0 347.415 1.966 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)c1 ZINC000118134061 221128576 /nfs/dbraw/zinc/12/85/76/221128576.db2.gz FMXASVGTPRQVMM-UHFFFAOYSA-N 0 0 343.431 1.791 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000118074175 221111681 /nfs/dbraw/zinc/11/16/81/221111681.db2.gz UAFRHPMXHXSLPL-OAHLLOKOSA-N 0 0 327.388 1.296 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000118080684 221112626 /nfs/dbraw/zinc/11/26/26/221112626.db2.gz FVFGZMSRKKFDRJ-HNNXBMFYSA-N 0 0 341.415 1.576 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000118797685 221185143 /nfs/dbraw/zinc/18/51/43/221185143.db2.gz FFESRFUKRLNJAN-OAHLLOKOSA-N 0 0 344.415 1.663 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCc1noc(C)n1)C(C)C ZINC000118648637 221164388 /nfs/dbraw/zinc/16/43/88/221164388.db2.gz VFNVYCGKZALIAA-HNNXBMFYSA-N 0 0 346.387 1.457 10 0 EDAERN Cc1noc(CCCC(=O)N[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000118669882 221166677 /nfs/dbraw/zinc/16/66/77/221166677.db2.gz UWRFUHROMFPBQF-ZDUSSCGKSA-N 0 0 330.392 1.276 10 0 EDAERN COc1ccc(C[C@@H](C)CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000118983450 221217054 /nfs/dbraw/zinc/21/70/54/221217054.db2.gz JWKHDFCBQZPTSF-PBHICJAKSA-N 0 0 335.448 1.504 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000119118112 221248895 /nfs/dbraw/zinc/24/88/95/221248895.db2.gz MGZVVPCIPFJNMH-QGZVFWFLSA-N 0 0 345.443 1.108 10 0 EDAERN O=C(c1cc(F)cc2cccnc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000119198413 221264109 /nfs/dbraw/zinc/26/41/09/221264109.db2.gz MTQGWIXBLAPODD-OAHLLOKOSA-N 0 0 329.375 1.921 10 0 EDAERN CO[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H]1Cc1ccccc1 ZINC000248134863 257663887 /nfs/dbraw/zinc/66/38/87/257663887.db2.gz ODHJFJKSNNKUKM-HUUCEWRRSA-N 0 0 335.429 1.441 10 0 EDAERN COCCn1ccc2ccc(NC(=O)NC[C@H]3CN(C)CCO3)cc21 ZINC000179432846 533340472 /nfs/dbraw/zinc/34/04/72/533340472.db2.gz XWHYEXFLZBKTTN-INIZCTEOSA-N 0 0 346.431 1.740 10 0 EDAERN COc1c(CO)cc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000161939527 533422432 /nfs/dbraw/zinc/42/24/32/533422432.db2.gz ARXNRUVKKYFRFJ-LLVKDONJSA-N 0 0 335.809 1.250 10 0 EDAERN COc1c(CO)cc(Cl)cc1S(=O)(=O)N(C)[C@H]1CCOC1 ZINC000161939662 533422658 /nfs/dbraw/zinc/42/26/58/533422658.db2.gz ARXNRUVKKYFRFJ-NSHDSACASA-N 0 0 335.809 1.250 10 0 EDAERN CS(=O)(=O)[C@H]1CCC[C@@H](S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165451140 533434894 /nfs/dbraw/zinc/43/48/94/533434894.db2.gz MEIURILREIHTKO-WDEREUQCSA-N 0 0 335.422 1.537 10 0 EDAERN COC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)c(N)c1 ZINC000163390081 533497913 /nfs/dbraw/zinc/49/79/13/533497913.db2.gz YDLIIYRPJWDFSH-LLVKDONJSA-N 0 0 343.177 1.045 10 0 EDAERN C[C@@H](CCO)Sc1nc[nH]c(=O)c1I ZINC000165990325 533639176 /nfs/dbraw/zinc/63/91/76/533639176.db2.gz PQJWCNAQIGHFKI-YFKPBYRVSA-N 0 0 326.159 1.238 10 0 EDAERN Cc1ccc(Br)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780467 292042926 /nfs/dbraw/zinc/04/29/26/292042926.db2.gz ISGVRLBIPNWRIW-LLVKDONJSA-N 0 0 327.178 1.084 10 0 EDAERN O=C(c1cnn2ccncc12)N1CCCN(c2nccs2)CC1 ZINC000329243440 140702878 /nfs/dbraw/zinc/70/28/78/140702878.db2.gz PCBUIDMCDRDFFW-UHFFFAOYSA-N 0 0 328.401 1.538 10 0 EDAERN O=C1CC[C@H](c2nc([C@@H]3CN(C4CC4)CCO3)no2)n2cccc21 ZINC000329565417 140740909 /nfs/dbraw/zinc/74/09/09/140740909.db2.gz HGFVISXCGRJXPB-HIFRSBDPSA-N 0 0 328.372 1.973 10 0 EDAERN COc1ccc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)cc1-c1ccn(C)n1 ZINC000329973725 140789598 /nfs/dbraw/zinc/78/95/98/140789598.db2.gz YTVNFPTZPNAGMU-GXTWGEPZSA-N 0 0 345.399 1.318 10 0 EDAERN Cn1nncc1S(=O)(=O)NCC1(O)CCC(C(C)(C)C)CC1 ZINC000330063773 140799368 /nfs/dbraw/zinc/79/93/68/140799368.db2.gz BSQHLNWWUXOUCX-UHFFFAOYSA-N 0 0 330.454 1.061 10 0 EDAERN Cc1c(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)nnn1-c1cnn(C)c1 ZINC000333092983 141262506 /nfs/dbraw/zinc/26/25/06/141262506.db2.gz OPJRNORSBQAMLN-RDJZCZTQSA-N 0 0 344.419 1.339 10 0 EDAERN C[C@H]1CCCCN1S(=O)(=O)N1CCC(Cc2nccn2C)CC1 ZINC000333163427 141274451 /nfs/dbraw/zinc/27/44/51/141274451.db2.gz ISHYKMHISZHVOF-AWEZNQCLSA-N 0 0 340.493 1.794 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCNC[C@](C)(F)C2)cn1 ZINC000333534405 141332753 /nfs/dbraw/zinc/33/27/53/141332753.db2.gz IJKZUYDXSCQCKJ-LZWOXQAQSA-N 0 0 339.415 1.076 10 0 EDAERN Cc1cc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)[nH]c(=O)n1 ZINC000333717923 141364846 /nfs/dbraw/zinc/36/48/46/141364846.db2.gz JIGCSKZLUOYGCE-AWEZNQCLSA-N 0 0 332.404 1.402 10 0 EDAERN O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1c[nH]nc1-c1nccs1 ZINC000333731244 141368255 /nfs/dbraw/zinc/36/82/55/141368255.db2.gz PSKYLMCOEBEHPA-MRVPVSSYSA-N 0 0 341.418 1.089 10 0 EDAERN CCOC(=O)CCC(CCC(=O)OCC)(C(C)=O)C(=O)OCC ZINC000004277199 285694808 /nfs/dbraw/zinc/69/48/08/285694808.db2.gz KSKJPRIWCBZHFF-UHFFFAOYSA-N 0 0 330.377 1.812 10 0 EDAERN O=C(NCCOc1ccc(F)c(F)c1)N[C@@H]1CCCn2ncnc21 ZINC000177331188 148945041 /nfs/dbraw/zinc/94/50/41/148945041.db2.gz VKGDDGDCZDIIFQ-CYBMUJFWSA-N 0 0 337.330 1.769 10 0 EDAERN COCCCCS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000184808994 148948963 /nfs/dbraw/zinc/94/89/63/148948963.db2.gz ODHGUGUNLOBSNT-LBPRGKRZSA-N 0 0 330.454 1.062 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N(CC)CC(C)(C)O)C12CCOCC2 ZINC000185697274 286347868 /nfs/dbraw/zinc/34/78/68/286347868.db2.gz RXZIPUIDOCLDEL-UONOGXRCSA-N 0 0 328.453 1.763 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](CC)CCO)C12CCOCC2 ZINC000248589340 286362037 /nfs/dbraw/zinc/36/20/37/286362037.db2.gz XPJCZWDGYKZEMC-QLFBSQMISA-N 0 0 328.453 1.668 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C12CCOCC2 ZINC000187097278 286376373 /nfs/dbraw/zinc/37/63/73/286376373.db2.gz HAXAZSAAWUNYCW-HRCADAONSA-N 0 0 340.464 1.628 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C12CCOCC2 ZINC000187045626 286379933 /nfs/dbraw/zinc/37/99/33/286379933.db2.gz ATULQSOFUCKNFW-UONOGXRCSA-N 0 0 349.431 1.101 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CCC(=O)N(CC)CC)C12CCOCC2 ZINC000187057257 286476052 /nfs/dbraw/zinc/47/60/52/286476052.db2.gz RFAAWTHNGWYQRO-CABCVRRESA-N 0 0 340.464 1.725 10 0 EDAERN CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nnc(C)n1CC ZINC000091049778 287332087 /nfs/dbraw/zinc/33/20/87/287332087.db2.gz VUZBPSSCPBRBKI-ZDUSSCGKSA-N 0 0 342.465 1.312 10 0 EDAERN CC(=O)N[C@H]1CCCN(CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000091540127 287332575 /nfs/dbraw/zinc/33/25/75/287332575.db2.gz MZEGFCXBJWYYFL-INIZCTEOSA-N 0 0 338.473 1.759 10 0 EDAERN COc1cc(CNCc2ncn(C)n2)cc(Br)c1O ZINC000092852410 287334913 /nfs/dbraw/zinc/33/49/13/287334913.db2.gz YLVLZNVUNAXTKJ-UHFFFAOYSA-N 0 0 327.182 1.582 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)CSCc3cccnc3)CCO2)c1 ZINC000112068954 287339639 /nfs/dbraw/zinc/33/96/39/287339639.db2.gz SYEZPNDIFKNNTN-MRXNPFEDSA-N 0 0 346.456 1.747 10 0 EDAERN NC(=S)c1cc(Br)ccc1OCCN1CCNC1=O ZINC000157491474 224836292 /nfs/dbraw/zinc/83/62/92/224836292.db2.gz LDJAQAGAIGVHCF-UHFFFAOYSA-N 0 0 344.234 1.487 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1-n1cccn1 ZINC000120469435 287361505 /nfs/dbraw/zinc/36/15/05/287361505.db2.gz HCVLYEPWXRHEGT-CABCVRRESA-N 0 0 343.431 1.563 10 0 EDAERN COCCn1ncc(Br)c1C(=O)c1ncccc1N ZINC000164704706 226093812 /nfs/dbraw/zinc/09/38/12/226093812.db2.gz SBEBOMPXCPZDLX-UHFFFAOYSA-N 0 0 325.166 1.500 10 0 EDAERN CS(=O)(=O)CC[C@H](N)C(=O)Cc1ccc(Br)cc1 ZINC000167114085 226180223 /nfs/dbraw/zinc/18/02/23/226180223.db2.gz QFAZJNCYQKLNAV-NSHDSACASA-N 0 0 334.235 1.323 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)CCC(=O)NC1CC1 ZINC000165559387 226127830 /nfs/dbraw/zinc/12/78/30/226127830.db2.gz OKBQUAHVIMPKLD-UHFFFAOYSA-N 0 0 347.234 1.474 10 0 EDAERN Cc1c(N)cnc(N2CCC(OCCO)CC2)c1Br ZINC000165604099 226129503 /nfs/dbraw/zinc/12/95/03/226129503.db2.gz PARHVPFVJRYURB-UHFFFAOYSA-N 0 0 330.226 1.712 10 0 EDAERN O=S1(=O)CC[C@H](c2nsc(I)n2)C1 ZINC000166101605 226147598 /nfs/dbraw/zinc/14/75/98/226147598.db2.gz OUOVHGUAXOSQIT-BYPYZUCNSA-N 0 0 330.172 1.045 10 0 EDAERN Cc1cccc(S(=O)(=O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1N ZINC000166152315 226150228 /nfs/dbraw/zinc/15/02/28/226150228.db2.gz IUVQPTAUKXRTSB-RYUDHWBXSA-N 0 0 331.459 1.707 10 0 EDAERN C[C@@H](NS(=O)(=O)Cc1ccccc1C(N)=S)[C@H]1CCOC1 ZINC000166237634 226153374 /nfs/dbraw/zinc/15/33/74/226153374.db2.gz RKIHYCXUSQAFBW-MNOVXSKESA-N 0 0 328.459 1.165 10 0 EDAERN C[C@@H]1CCCCN1S(=O)(=O)Nc1ccc(C(N)=S)cc1F ZINC000168426614 226213688 /nfs/dbraw/zinc/21/36/88/226213688.db2.gz XRBYGTBKMDFGFL-SECBINFHSA-N 0 0 331.438 1.991 10 0 EDAERN NC(=S)Cc1ccc(NC(=O)[C@H]2CCCCS2(=O)=O)cc1 ZINC000168474015 226214983 /nfs/dbraw/zinc/21/49/83/226214983.db2.gz CYDWWIVKQVHAHJ-GFCCVEGCSA-N 0 0 326.443 1.421 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H](C)C[S@](C)=O)c2c1NCCC2 ZINC000168994697 226230630 /nfs/dbraw/zinc/23/06/30/226230630.db2.gz HVOFGEBQKIWCFP-BIBXISHDSA-N 0 0 330.475 1.398 10 0 EDAERN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cccc2cc(N)ccc21 ZINC000169083818 226231047 /nfs/dbraw/zinc/23/10/47/226231047.db2.gz GPJGHIDYBZEDTO-SBKAZYGRSA-N 0 0 326.443 1.467 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000171400507 227063895 /nfs/dbraw/zinc/06/38/95/227063895.db2.gz RUUKCDHVPYCVOS-DOTOQJQBSA-N 0 0 346.427 1.991 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000121269718 221802219 /nfs/dbraw/zinc/80/22/19/221802219.db2.gz UOXRYTIBKPKKFE-NSHDSACASA-N 0 0 341.770 1.545 10 0 EDAERN Cn1cc(CN2CCO[C@H](Cn3cccn3)C2)c(-c2cccnc2)n1 ZINC000122205256 222036461 /nfs/dbraw/zinc/03/64/61/222036461.db2.gz NTHXOZRJLQKVTR-KRWDZBQOSA-N 0 0 338.415 1.580 10 0 EDAERN CCS(=O)(=O)c1ccc(CCC(=O)NCCn2cc(C)cn2)cc1 ZINC000122151867 222025228 /nfs/dbraw/zinc/02/52/28/222025228.db2.gz PWVXZWTXZNRIKW-UHFFFAOYSA-N 0 0 349.456 1.734 10 0 EDAERN COc1cc(OC)c(CN2CCO[C@H](Cn3cccn3)C2)c(OC)c1 ZINC000122276953 222050426 /nfs/dbraw/zinc/05/04/26/222050426.db2.gz NOYSMNRMXJJKAS-HNNXBMFYSA-N 0 0 347.415 1.810 10 0 EDAERN CCC[C@](C)(CO)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122636845 222129226 /nfs/dbraw/zinc/12/92/26/222129226.db2.gz IDVYKHGOVPOENC-IAQYHMDHSA-N 0 0 325.413 1.110 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123122721 222219478 /nfs/dbraw/zinc/21/94/78/222219478.db2.gz ZOIKIRRWLXGJGP-BEFAXECRSA-N 0 0 346.427 1.925 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)CCc3ccccc3)CCO2)c1 ZINC000171834741 227307672 /nfs/dbraw/zinc/30/76/72/227307672.db2.gz GBOCYNONVRZSJH-QGZVFWFLSA-N 0 0 349.456 1.465 10 0 EDAERN Cc1nccn1C[C@@H](C)CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171905689 227353978 /nfs/dbraw/zinc/35/39/78/227353978.db2.gz LBOBZGKRMRZPOM-HOCLYGCPSA-N 0 0 346.435 1.135 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H](C)CN1CCOCC1)C(C)C ZINC000133948126 287547071 /nfs/dbraw/zinc/54/70/71/287547071.db2.gz MKNWISBEKISTOE-WBVHZDCISA-N 0 0 341.496 1.258 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@](C)(c2cccs2)C1=O ZINC000193365056 272991757 /nfs/dbraw/zinc/99/17/57/272991757.db2.gz UCNUEJCHEBCHJJ-IAQYHMDHSA-N 0 0 326.418 1.693 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCN2CCOCC2)C1 ZINC000052893633 267390704 /nfs/dbraw/zinc/39/07/04/267390704.db2.gz TVHIWTLETSMVPR-AWEZNQCLSA-N 0 0 341.452 1.082 10 0 EDAERN CNC(=O)Cn1cnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000153311803 267470114 /nfs/dbraw/zinc/47/01/14/267470114.db2.gz VXCTYAXHLZWFNT-CYBMUJFWSA-N 0 0 343.431 1.965 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)C(C)C ZINC000178445133 267563514 /nfs/dbraw/zinc/56/35/14/267563514.db2.gz HILBUJWSOXMUJZ-NXEZZACHSA-N 0 0 325.413 1.498 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C(C)C ZINC000178452101 267565334 /nfs/dbraw/zinc/56/53/34/267565334.db2.gz ODEATQIMEHCQMK-XJKSGUPXSA-N 0 0 348.447 1.344 10 0 EDAERN CNC(=O)[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(C)C ZINC000178848130 267593393 /nfs/dbraw/zinc/59/33/93/267593393.db2.gz WRBSMMCAYWZKCG-MRXNPFEDSA-N 0 0 345.443 1.426 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnn(C)c2C)C12CCCC2 ZINC000190823206 267806677 /nfs/dbraw/zinc/80/66/77/267806677.db2.gz RCZHIPPYNSWJHR-HUUCEWRRSA-N 0 0 348.447 1.863 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000154821742 533688477 /nfs/dbraw/zinc/68/84/77/533688477.db2.gz MNWCHQYHQABRJS-UHFFFAOYSA-N 0 0 330.436 1.973 10 0 EDAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000172383021 272932599 /nfs/dbraw/zinc/93/25/99/272932599.db2.gz WEXARLUJMQLXML-AWEZNQCLSA-N 0 0 333.436 1.316 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)CC2 ZINC000177636516 273775993 /nfs/dbraw/zinc/77/59/93/273775993.db2.gz FHIAVKJDDOAZJZ-LLVKDONJSA-N 0 0 349.341 1.188 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCc2ccnc(N(C)C)n2)C[C@]12CCCO2 ZINC000333999675 276004321 /nfs/dbraw/zinc/00/43/21/276004321.db2.gz QNUDPEKFRXINPW-WMLDXEAASA-N 0 0 333.436 1.642 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)C1 ZINC000188399984 277195930 /nfs/dbraw/zinc/19/59/30/277195930.db2.gz NBXDQMMJHDUHNX-CQSZACIVSA-N 0 0 349.431 1.758 10 0 EDAERN CC(C)NC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171987118 277650778 /nfs/dbraw/zinc/65/07/78/277650778.db2.gz UXXIAVXTZOKSBL-MAUKXSAKSA-N 0 0 345.443 1.579 10 0 EDAERN CC(C)(C)OC(=O)[C@H]1CCCN([C@H](C(=O)[O-])c2ccncc2)[C@@H]1[NH3+] ZINC000090624455 278454856 /nfs/dbraw/zinc/45/48/56/278454856.db2.gz ZTHPVXGQWCENKO-IHRRRGAJSA-N 0 0 335.404 1.546 10 0 EDAERN CC(C)[C@@H]1N(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)C[C@]12CCCO2 ZINC000329356028 280057860 /nfs/dbraw/zinc/05/78/60/280057860.db2.gz ZDQLCSHQDDAHJS-JKIFEVAISA-N 0 0 341.473 1.617 10 0 EDAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000248853400 288317695 /nfs/dbraw/zinc/31/76/95/288317695.db2.gz BXIYZLOHZDXVEB-RYUDHWBXSA-N 0 0 342.417 1.534 10 0 EDAERN Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCc2ccccc21 ZINC000016249197 293563579 /nfs/dbraw/zinc/56/35/79/293563579.db2.gz CSDOCEYAOUFCEV-UHFFFAOYSA-N 0 0 347.421 1.816 10 0 EDAERN COc1cccc(OC)c1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000186283124 295310501 /nfs/dbraw/zinc/31/05/01/295310501.db2.gz MKDQPZDMMPNBNM-CYBMUJFWSA-N 0 0 340.445 1.563 10 0 EDAERN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329591505 302146112 /nfs/dbraw/zinc/14/61/12/302146112.db2.gz UDXDOHYREGTJGL-RKTXRCNFSA-N 0 0 344.411 1.886 10 0 EDAERN Cc1[nH]c2c(cccc2C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1C ZINC000377762249 447342101 /nfs/dbraw/zinc/34/21/01/447342101.db2.gz PGNQWEBCTURPOW-KRWDZBQOSA-N 0 0 326.356 1.209 10 0 EDAERN COC(C)(C)CS(=O)(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000657200635 453732299 /nfs/dbraw/zinc/73/22/99/453732299.db2.gz MLWRGAQQEPOPIV-GXTWGEPZSA-N 0 0 345.465 1.232 10 0 EDAERN COC(=O)C[C@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000046186903 441090152 /nfs/dbraw/zinc/09/01/52/441090152.db2.gz OOENOHLDJUQUMP-AWEZNQCLSA-N 0 0 339.351 1.890 10 0 EDAERN O=C(NC[C@@H]1CCCOC1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000057161995 441094398 /nfs/dbraw/zinc/09/43/98/441094398.db2.gz JFSUJLZCYLMCQF-GXTWGEPZSA-N 0 0 338.429 1.631 10 0 EDAERN Cc1cc(C)n(CCC(=O)N2CCC(OCc3nc(C)no3)CC2)n1 ZINC000097942429 441146533 /nfs/dbraw/zinc/14/65/33/441146533.db2.gz QUYQZVNIXUBBFQ-UHFFFAOYSA-N 0 0 347.419 1.789 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(C(N)=O)c1 ZINC000047231115 441167138 /nfs/dbraw/zinc/16/71/38/441167138.db2.gz NQEUPBBGGLHBGM-CQDKDKBSSA-N 0 0 330.384 1.732 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2nc(C(C)(C)C)cs2)C1 ZINC000104797911 441211270 /nfs/dbraw/zinc/21/12/70/441211270.db2.gz VSROWIKTZIXTIL-NSHDSACASA-N 0 0 326.466 1.570 10 0 EDAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105281715 441247615 /nfs/dbraw/zinc/24/76/15/441247615.db2.gz NYIPNJPRWNEIEF-CQSZACIVSA-N 0 0 334.420 1.149 10 0 EDAERN C[C@@H](C(=O)NCc1cccs1)N1CCCN(c2cccnn2)CC1 ZINC000105799188 441273242 /nfs/dbraw/zinc/27/32/42/441273242.db2.gz MQYPLUNLEVENDR-AWEZNQCLSA-N 0 0 345.472 1.755 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3CCC(C)CC3)CC2)nn1 ZINC000105800908 441273798 /nfs/dbraw/zinc/27/37/98/441273798.db2.gz GUCSOOMBTISIHW-UHFFFAOYSA-N 0 0 331.464 1.556 10 0 EDAERN C[S@](=O)c1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1 ZINC000105810559 441275937 /nfs/dbraw/zinc/27/59/37/441275937.db2.gz YEHRFPXYBGACES-XMMPIXPASA-N 0 0 344.440 1.567 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1cccc(F)c1 ZINC000061554626 441277469 /nfs/dbraw/zinc/27/74/69/441277469.db2.gz SIDKFCRQCJXYRK-MRXNPFEDSA-N 0 0 329.375 1.764 10 0 EDAERN Cc1ccc(C(=O)NCCNC(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000081494525 441277733 /nfs/dbraw/zinc/27/77/33/441277733.db2.gz XNACTWPSWVIZMS-HOTGVXAUSA-N 0 0 333.432 1.575 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cnc(C)cn3)CC2)cn1 ZINC000105831382 441283868 /nfs/dbraw/zinc/28/38/68/441283868.db2.gz DEOYCZZIHQFCNA-UHFFFAOYSA-N 0 0 342.447 1.740 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3ccc(C)[nH]c3=O)CC2)cn1 ZINC000105830682 441284324 /nfs/dbraw/zinc/28/43/24/441284324.db2.gz WTOGXIIVAGXPSK-UHFFFAOYSA-N 0 0 343.431 1.248 10 0 EDAERN COCCN1C[C@@H](C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)CC1=O ZINC000105848979 441292179 /nfs/dbraw/zinc/29/21/79/441292179.db2.gz NGZCXYJUFMTJDD-LSDHHAIUSA-N 0 0 348.447 1.195 10 0 EDAERN CCOc1ccc(OCC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000105853376 441292427 /nfs/dbraw/zinc/29/24/27/441292427.db2.gz LZIACZMBUTXBAU-AWEZNQCLSA-N 0 0 330.388 1.919 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000106152401 441327673 /nfs/dbraw/zinc/32/76/73/441327673.db2.gz LPTZVIDUUVNYDN-CABCVRRESA-N 0 0 349.479 1.691 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000106392622 441337303 /nfs/dbraw/zinc/33/73/03/441337303.db2.gz ZLPQGACQAWSXML-HOCLYGCPSA-N 0 0 348.447 1.112 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000106458716 441345468 /nfs/dbraw/zinc/34/54/68/441345468.db2.gz LYKPKYXHMKPDBT-OAHLLOKOSA-N 0 0 336.399 1.978 10 0 EDAERN Cn1cc(CN2CCCN(CC(=O)NCC3CCCCC3)CC2)cn1 ZINC000105869213 441300389 /nfs/dbraw/zinc/30/03/89/441300389.db2.gz JLMHVWARAMBVLY-UHFFFAOYSA-N 0 0 347.507 1.624 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869668 441300958 /nfs/dbraw/zinc/30/09/58/441300958.db2.gz ZQSIDXSJQINPCR-CVEARBPZSA-N 0 0 335.496 1.621 10 0 EDAERN COC(=O)c1cccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000105891036 441308669 /nfs/dbraw/zinc/30/86/69/441308669.db2.gz OXXSFKIRSVQVOU-KRWDZBQOSA-N 0 0 329.400 1.879 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000105894297 441310619 /nfs/dbraw/zinc/31/06/19/441310619.db2.gz AGKFBYOEHCGWJK-INIZCTEOSA-N 0 0 338.496 1.331 10 0 EDAERN C[C@H](C(=O)N(C)C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105916623 441316572 /nfs/dbraw/zinc/31/65/72/441316572.db2.gz QXLWAERHMDJOMD-MRXNPFEDSA-N 0 0 341.459 1.467 10 0 EDAERN CC[C@@H]1CN2C=NC(N3CCN(C(=O)c4cccnc4)CC3)=CC2=N1 ZINC000065265537 441411323 /nfs/dbraw/zinc/41/13/23/441411323.db2.gz DCVBLIVEZRAMNL-OAHLLOKOSA-N 0 0 338.415 1.215 10 0 EDAERN CCn1c2ccccc2n2nc(C(=O)NCc3ccncc3)cc2c1=O ZINC000065292278 441415793 /nfs/dbraw/zinc/41/57/93/441415793.db2.gz XERAPDRLELLHIC-UHFFFAOYSA-N 0 0 347.378 1.994 10 0 EDAERN COc1ccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 ZINC000085436208 441440238 /nfs/dbraw/zinc/44/02/38/441440238.db2.gz IRKJVOAMJSOYKJ-QGZVFWFLSA-N 0 0 345.443 1.796 10 0 EDAERN CSC[C@H](C)C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000108995101 441483755 /nfs/dbraw/zinc/48/37/55/441483755.db2.gz QTHZJAVKLSQTBF-JKSUJKDBSA-N 0 0 343.537 1.239 10 0 EDAERN COc1cccc2c1OCCCN(c1cc(NCCO)nc(N)n1)C2 ZINC000065527415 441452059 /nfs/dbraw/zinc/45/20/59/441452059.db2.gz MHRSHRPNRWNTGL-UHFFFAOYSA-N 0 0 345.403 1.261 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)c3c(C)noc3C)CCO2)c1 ZINC000112061977 441544435 /nfs/dbraw/zinc/54/44/35/441544435.db2.gz VXAFMEUDYHLICC-WFASDCNBSA-N 0 0 332.404 1.827 10 0 EDAERN COc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]2C)ccc1OC(F)F ZINC000076001606 441576421 /nfs/dbraw/zinc/57/64/21/441576421.db2.gz AWSLDGABXKDSBK-WCBMZHEXSA-N 0 0 328.315 1.551 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000076098333 441597445 /nfs/dbraw/zinc/59/74/45/441597445.db2.gz BLQSFDJJOGEADP-SWLSCSKDSA-N 0 0 329.400 1.662 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000076098963 441598488 /nfs/dbraw/zinc/59/84/88/441598488.db2.gz JQNPVCVPFBQFAD-CBAPKCEASA-N 0 0 332.328 1.146 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000033905791 441598794 /nfs/dbraw/zinc/59/87/94/441598794.db2.gz QCDSCFYAXGRPJT-MRXNPFEDSA-N 0 0 337.851 1.445 10 0 EDAERN C[C@@H](CNC(=O)NCCC(=O)Nc1ccccc1)N1CCOCC1 ZINC000113374596 441604240 /nfs/dbraw/zinc/60/42/40/441604240.db2.gz UOKLMKSOHZXXDD-AWEZNQCLSA-N 0 0 334.420 1.035 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cnn(CC)c3)CC2)n1 ZINC000114276183 441644668 /nfs/dbraw/zinc/64/46/68/441644668.db2.gz PXVLFDJSGWWKHX-LBPRGKRZSA-N 0 0 332.408 1.367 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000173339332 441718052 /nfs/dbraw/zinc/71/80/52/441718052.db2.gz ZLSDDCOXSWDBMC-WMZOPIPTSA-N 0 0 349.475 1.738 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C1(NC(C)=O)CCCCC1)CC2 ZINC000114871315 441694305 /nfs/dbraw/zinc/69/43/05/441694305.db2.gz VCZNAEPLEUYWEK-CYBMUJFWSA-N 0 0 333.436 1.111 10 0 EDAERN COC[C@@H](C)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1 ZINC000158250343 441711129 /nfs/dbraw/zinc/71/11/29/441711129.db2.gz BRNZRBFORKERNU-OAHLLOKOSA-N 0 0 336.432 1.501 10 0 EDAERN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173313789 441711929 /nfs/dbraw/zinc/71/19/29/441711929.db2.gz YXEBMVVRKKJOLQ-MLGOLLRUSA-N 0 0 341.415 1.683 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000114577082 441667768 /nfs/dbraw/zinc/66/77/68/441667768.db2.gz YPCIWODAZLMXDZ-CYBMUJFWSA-N 0 0 342.465 1.318 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N(C)CCS(C)(=O)=O ZINC000173337444 441717181 /nfs/dbraw/zinc/71/71/81/441717181.db2.gz NPTGHMJXVYFCPA-CYBMUJFWSA-N 0 0 328.434 1.278 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121563805 441733297 /nfs/dbraw/zinc/73/32/97/441733297.db2.gz QUXQSSXVAOJWEY-HOCLYGCPSA-N 0 0 331.478 1.601 10 0 EDAERN Cc1ccc(C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)n1C ZINC000115389205 441735429 /nfs/dbraw/zinc/73/54/29/441735429.db2.gz ALEGDOLWPNFQBY-UHFFFAOYSA-N 0 0 329.448 1.642 10 0 EDAERN CCc1ccccc1NC(=O)CNC(=O)CN1[C@H](C)COC[C@@H]1C ZINC000077369528 441764737 /nfs/dbraw/zinc/76/47/37/441764737.db2.gz FCWKGNXRFBUUDR-OKILXGFUSA-N 0 0 333.432 1.413 10 0 EDAERN C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1Cl ZINC000136798052 441723809 /nfs/dbraw/zinc/72/38/09/441723809.db2.gz RDXZDWQIXXYNAJ-MRVPVSSYSA-N 0 0 325.727 1.207 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)N[C@@H](C)c3ccccn3)CC2)no1 ZINC000173384058 441730253 /nfs/dbraw/zinc/73/02/53/441730253.db2.gz NPSGSGFSLOJNMZ-ZDUSSCGKSA-N 0 0 344.419 1.752 10 0 EDAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000173653778 441815977 /nfs/dbraw/zinc/81/59/77/441815977.db2.gz QMXGBDAOVVCFTP-ZDUSSCGKSA-N 0 0 349.387 1.499 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@H]3COc4ccccc43)CCO2)[nH]1 ZINC000137985198 441782162 /nfs/dbraw/zinc/78/21/62/441782162.db2.gz UPUBIIPYKUSIFY-GXTWGEPZSA-N 0 0 343.387 1.584 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cnn(C(C)(C)C)c3C)CCO2)[nH]1 ZINC000173569377 441795852 /nfs/dbraw/zinc/79/58/52/441795852.db2.gz KWUOZACQUKIQOV-CYBMUJFWSA-N 0 0 346.435 1.841 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173574312 441797410 /nfs/dbraw/zinc/79/74/10/441797410.db2.gz HZMPQIDJYXULOR-AWEZNQCLSA-N 0 0 346.435 1.250 10 0 EDAERN CCOc1ncccc1C(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173579995 441798397 /nfs/dbraw/zinc/79/83/97/441798397.db2.gz CSWFAFFBPMTUQU-LBPRGKRZSA-N 0 0 331.376 1.375 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCC(N)=O ZINC000042928330 441800209 /nfs/dbraw/zinc/80/02/09/441800209.db2.gz ILGCEZHXHKZQEU-CQSZACIVSA-N 0 0 339.823 1.476 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)NCCOc3cccc(F)c3)C2)cn1 ZINC000116317328 441811295 /nfs/dbraw/zinc/81/12/95/441811295.db2.gz KUPWECGZBSPCKR-CQSZACIVSA-N 0 0 346.406 1.544 10 0 EDAERN C[C@H](CNC(=O)NC[C@H](C)N(C)c1ccccc1)N1CCOCC1 ZINC000077793230 441861954 /nfs/dbraw/zinc/86/19/54/441861954.db2.gz QONHWQPKCIZODB-JKSUJKDBSA-N 0 0 334.464 1.531 10 0 EDAERN CCCS(=O)(=O)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173919819 441862648 /nfs/dbraw/zinc/86/26/48/441862648.db2.gz OCOOPUIQYWVGJC-CYBMUJFWSA-N 0 0 335.429 1.874 10 0 EDAERN CCOC(=O)N1CCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000043165628 441823220 /nfs/dbraw/zinc/82/32/20/441823220.db2.gz DTULQVOMUWUCCF-CQSZACIVSA-N 0 0 333.388 1.994 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCc1c[nH]nc1C ZINC000173688784 441823818 /nfs/dbraw/zinc/82/38/18/441823818.db2.gz XCMBEFLULLAJPX-HNNXBMFYSA-N 0 0 335.452 1.693 10 0 EDAERN Cc1cc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1C(N)=O ZINC000116498897 441826491 /nfs/dbraw/zinc/82/64/91/441826491.db2.gz XGMSLOHAMASVTE-LBPRGKRZSA-N 0 0 327.388 1.849 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NC3CCC4(CC3)OCCO4)C2)cn1 ZINC000116528713 441827868 /nfs/dbraw/zinc/82/78/68/441827868.db2.gz JRRDMKDHERCQIM-CYBMUJFWSA-N 0 0 334.420 1.605 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000116519459 441828128 /nfs/dbraw/zinc/82/81/28/441828128.db2.gz BESPACMMQJUFDF-ZDUSSCGKSA-N 0 0 349.435 1.540 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3cccc(C)c3)CCO2)[nH]1 ZINC000173759707 441834750 /nfs/dbraw/zinc/83/47/50/441834750.db2.gz QMLASHQEECGSMJ-HOCLYGCPSA-N 0 0 332.404 1.235 10 0 EDAERN O=C(NCCCOCC(F)(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000173784874 441840626 /nfs/dbraw/zinc/84/06/26/441840626.db2.gz FQHQKOVJCCHNNT-LBPRGKRZSA-N 0 0 339.358 1.072 10 0 EDAERN Cc1cc(C)n(CC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000116776067 441843150 /nfs/dbraw/zinc/84/31/50/441843150.db2.gz YXZHKMAPROHOAE-INIZCTEOSA-N 0 0 330.436 1.647 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccccc1C ZINC000173817515 441845984 /nfs/dbraw/zinc/84/59/84/441845984.db2.gz DPPLYDNQPNJLDO-UKRRQHHQSA-N 0 0 330.388 1.958 10 0 EDAERN C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000147491684 441907813 /nfs/dbraw/zinc/90/78/13/441907813.db2.gz WPDIQZUFIUDHJB-HIFRSBDPSA-N 0 0 335.404 1.441 10 0 EDAERN O=C(Nc1cnn(CC2CC2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000174458143 441926917 /nfs/dbraw/zinc/92/69/17/441926917.db2.gz WKTBRTZIXUPNAX-OAHLLOKOSA-N 0 0 330.392 1.423 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCC(CC(N)=O)CC1 ZINC000174139230 441892922 /nfs/dbraw/zinc/89/29/22/441892922.db2.gz HMUFGGHSIAXYIU-AWEZNQCLSA-N 0 0 333.432 1.889 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000118480774 441896370 /nfs/dbraw/zinc/89/63/70/441896370.db2.gz YYEPPKRGJPKQLH-ZNMIVQPWSA-N 0 0 327.469 1.458 10 0 EDAERN CN(Cc1nc[nH]n1)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000174169076 441896996 /nfs/dbraw/zinc/89/69/96/441896996.db2.gz ZNQXFDMWVVJJFP-NWDGAFQWSA-N 0 0 337.424 1.847 10 0 EDAERN COC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1cc(C)oc1C)C(C)C ZINC000174628269 441947103 /nfs/dbraw/zinc/94/71/03/441947103.db2.gz QRZIEBUDIZDSEL-CJNGLKHVSA-N 0 0 326.393 1.601 10 0 EDAERN Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CN(C)CCO3)C2)cc1 ZINC000174749048 441963641 /nfs/dbraw/zinc/96/36/41/441963641.db2.gz DVRIERIJOLEINF-SJLPKXTDSA-N 0 0 346.475 1.594 10 0 EDAERN CC(C)CC(=O)NCCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000174989014 441991731 /nfs/dbraw/zinc/99/17/31/441991731.db2.gz UHGKBEOCDSEYCL-ZDUSSCGKSA-N 0 0 335.452 1.385 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(F)(F)F ZINC000125163521 441991921 /nfs/dbraw/zinc/99/19/21/441991921.db2.gz IHRBFFSUVOTPCY-QMMMGPOBSA-N 0 0 349.334 1.134 10 0 EDAERN CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCC[C@@H](NC(C)=O)C2)c1C ZINC000125212467 441998094 /nfs/dbraw/zinc/99/80/94/441998094.db2.gz JUPCERVKMBRVAL-CQSZACIVSA-N 0 0 349.431 1.591 10 0 EDAERN COCCn1c(C)cc(C(=O)CN2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000119947763 441981300 /nfs/dbraw/zinc/98/13/00/441981300.db2.gz OQFFSBDUYSIKSF-MRXNPFEDSA-N 0 0 335.448 1.487 10 0 EDAERN CO[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)c1cccc(Cl)c1 ZINC000175121142 442007712 /nfs/dbraw/zinc/00/77/12/442007712.db2.gz SCONGCORUZHPIM-KBPBESRZSA-N 0 0 349.822 1.933 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000151174898 442018649 /nfs/dbraw/zinc/01/86/49/442018649.db2.gz LRCMJKKQKZHXQR-LLVKDONJSA-N 0 0 340.391 1.160 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)C1CC1 ZINC000175213092 442019046 /nfs/dbraw/zinc/01/90/46/442019046.db2.gz BYNNWSHXPFJBKA-ZDUSSCGKSA-N 0 0 330.475 1.545 10 0 EDAERN C[C@H](C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1)C1CC1 ZINC000175343375 442046188 /nfs/dbraw/zinc/04/61/88/442046188.db2.gz UKMCOSJILYRTPR-DOTOQJQBSA-N 0 0 332.444 1.617 10 0 EDAERN CCC1CCC(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000175369304 442050987 /nfs/dbraw/zinc/05/09/87/442050987.db2.gz SDRPPSMYPGFCRG-QOZQQMKHSA-N 0 0 337.445 1.802 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(N(C)C)n1 ZINC000162076884 442061454 /nfs/dbraw/zinc/06/14/54/442061454.db2.gz HPEHROKQBMRKJF-CYBMUJFWSA-N 0 0 329.408 1.382 10 0 EDAERN Cc1ncc(CN2CCN(Cc3cc(C(N)=O)cs3)CC2)s1 ZINC000120456776 442075690 /nfs/dbraw/zinc/07/56/90/442075690.db2.gz QRMAOUISERSKPY-UHFFFAOYSA-N 0 0 336.486 1.930 10 0 EDAERN Fc1cc(CN2CCN(c3ccc4nncn4n3)CC2)cc(F)c1F ZINC000120491030 442081571 /nfs/dbraw/zinc/08/15/71/442081571.db2.gz KNRSFQHINFQPIH-UHFFFAOYSA-N 0 0 348.332 1.864 10 0 EDAERN O=C(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1cnccn1 ZINC000096269322 442109886 /nfs/dbraw/zinc/10/98/86/442109886.db2.gz CVWWJYHJISZMTA-AWEZNQCLSA-N 0 0 335.367 1.669 10 0 EDAERN CC[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccccc1F ZINC000175734503 442113708 /nfs/dbraw/zinc/11/37/08/442113708.db2.gz KRBFDBWRFRXRBP-UONOGXRCSA-N 0 0 339.411 1.613 10 0 EDAERN COc1ccc(-c2nnc(CNC(=O)N[C@@H]3CCCC[C@@H]3O)[nH]2)cc1 ZINC000120590771 442100322 /nfs/dbraw/zinc/10/03/22/442100322.db2.gz NISKYDAOUDXIEK-KGLIPLIRSA-N 0 0 345.403 1.583 10 0 EDAERN Cc1ccccc1OCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175704319 442108373 /nfs/dbraw/zinc/10/83/73/442108373.db2.gz WKOWJHZYIDVJJD-DLBZAZTESA-N 0 0 347.459 1.736 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@@]3(C)CCCO3)C2=O)n(C)n1 ZINC000176049459 442166831 /nfs/dbraw/zinc/16/68/31/442166831.db2.gz QNVHBAKRUZMGNV-SUMWQHHRSA-N 0 0 349.435 1.092 10 0 EDAERN O=Cc1ccc(OCC(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000127089266 442169272 /nfs/dbraw/zinc/16/92/72/442169272.db2.gz QSOAUFNRYOUDSS-HNNXBMFYSA-N 0 0 328.372 1.408 10 0 EDAERN Cc1cccc2c1N(C(=O)C(=O)N[C@@H]1CCCn3ncnc31)CC2 ZINC000176097611 442175330 /nfs/dbraw/zinc/17/53/30/442175330.db2.gz WWLBGRONINGJKO-CYBMUJFWSA-N 0 0 325.372 1.127 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCC3(C4CC4)CC3)CC2)no1 ZINC000152315409 442196904 /nfs/dbraw/zinc/19/69/04/442196904.db2.gz NQNLHHPLTPTBCA-UHFFFAOYSA-N 0 0 333.436 1.786 10 0 EDAERN CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000152323334 442197606 /nfs/dbraw/zinc/19/76/06/442197606.db2.gz OOAQLPXBZCICLA-NVXWUHKLSA-N 0 0 344.390 1.737 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)CC2 ZINC000127427564 442201800 /nfs/dbraw/zinc/20/18/00/442201800.db2.gz AJXYBGYUZGTHKD-NSHDSACASA-N 0 0 330.436 1.616 10 0 EDAERN O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N1CCC[C@H]1CO ZINC000120906343 442150516 /nfs/dbraw/zinc/15/05/16/442150516.db2.gz DQYQSMQAASAKOX-VIFPVBQESA-N 0 0 332.278 1.349 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1Cc3cc(F)ccc3O1)CC2 ZINC000151997109 442151997 /nfs/dbraw/zinc/15/19/97/442151997.db2.gz XHQVHVVBMQQBLT-TZMCWYRMSA-N 0 0 330.363 1.414 10 0 EDAERN O=C(Nc1cccc(OC(F)(F)F)c1)C(=O)N1CCC[C@H]1CO ZINC000120941741 442154650 /nfs/dbraw/zinc/15/46/50/442154650.db2.gz RLDHGGSIRFYYLF-JTQLQIEISA-N 0 0 332.278 1.507 10 0 EDAERN CN1CCCc2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc21 ZINC000097014355 442155480 /nfs/dbraw/zinc/15/54/80/442155480.db2.gz NPSIXBDQMTUVHY-AWEZNQCLSA-N 0 0 347.444 1.474 10 0 EDAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000163337247 442159244 /nfs/dbraw/zinc/15/92/44/442159244.db2.gz KEYFLAKSGWOGSI-MNOVXSKESA-N 0 0 325.796 1.649 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cnn2c1CCCC2 ZINC000128181373 442250344 /nfs/dbraw/zinc/25/03/44/442250344.db2.gz PVSCXIMJTXFFGQ-CYBMUJFWSA-N 0 0 326.404 1.408 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)COC4)C2)cn1 ZINC000128192245 442250965 /nfs/dbraw/zinc/25/09/65/442250965.db2.gz RQBVFAJFMLUDFX-GFCCVEGCSA-N 0 0 340.383 1.405 10 0 EDAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CC2)CC1 ZINC000170726715 442252903 /nfs/dbraw/zinc/25/29/03/442252903.db2.gz IORIAERRYQARFX-AWEZNQCLSA-N 0 0 325.453 1.986 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(F)ccc1Cl ZINC000176747333 442253000 /nfs/dbraw/zinc/25/30/00/442253000.db2.gz MTCUCHGBQJYJJA-JTQLQIEISA-N 0 0 330.772 1.884 10 0 EDAERN COCCCN(CCOC)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121411515 442213315 /nfs/dbraw/zinc/21/33/15/442213315.db2.gz ITODBPXIUFJLTE-CYBMUJFWSA-N 0 0 339.440 1.370 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000176440967 442222767 /nfs/dbraw/zinc/22/27/67/442222767.db2.gz YWZUBAADEVNVIC-UHFFFAOYSA-N 0 0 342.399 1.684 10 0 EDAERN CCCCC1CCC(C(=O)NC[C@@H](O)CN2CCOCC2)CC1 ZINC000176439383 442222851 /nfs/dbraw/zinc/22/28/51/442222851.db2.gz OBKFTVZXEBYAHZ-OFLPRAFFSA-N 0 0 326.481 1.792 10 0 EDAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176468592 442226154 /nfs/dbraw/zinc/22/61/54/442226154.db2.gz CEDBSHVDXYEQDN-KCQAQPDRSA-N 0 0 335.452 1.669 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CC)Cc1ccccn1)CC2 ZINC000176520959 442230956 /nfs/dbraw/zinc/23/09/56/442230956.db2.gz NETMXHVTLRHPMV-AWEZNQCLSA-N 0 0 328.420 1.782 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1nccnc1N ZINC000176529036 442231435 /nfs/dbraw/zinc/23/14/35/442231435.db2.gz KNAACYKWESYSAN-LBPRGKRZSA-N 0 0 347.444 1.266 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000176566645 442234955 /nfs/dbraw/zinc/23/49/55/442234955.db2.gz VEGCPIYRCDAXSX-YYUOZPCZSA-N 0 0 347.444 1.481 10 0 EDAERN Cc1ccc([C@H](CNC(=O)[C@H]2CCCOC2)N2CCOCC2)s1 ZINC000176568041 442235754 /nfs/dbraw/zinc/23/57/54/442235754.db2.gz BSTHAPHCWKYNSD-GJZGRUSLSA-N 0 0 338.473 1.973 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@@H]1C ZINC000128003855 442239619 /nfs/dbraw/zinc/23/96/19/442239619.db2.gz MKPNLHZAIOGIDS-AWEZNQCLSA-N 0 0 329.404 1.060 10 0 EDAERN Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000176998276 442282820 /nfs/dbraw/zinc/28/28/20/442282820.db2.gz YCYJECLHQIXYAK-UKRRQHHQSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nccn3C)c2)CCS1 ZINC000177004460 442284109 /nfs/dbraw/zinc/28/41/09/442284109.db2.gz RFPMVULRJSKXAO-LBPRGKRZSA-N 0 0 344.440 1.990 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@@H](C)C(=O)N[C@H](C)CC)CC2)n1 ZINC000170943535 442292603 /nfs/dbraw/zinc/29/26/03/442292603.db2.gz XARIEACLESLXRT-HIFRSBDPSA-N 0 0 349.479 1.609 10 0 EDAERN COc1ccc(NCc2nnc(C3CC3)n2C)cc1-n1nnnc1C ZINC000171028537 442300865 /nfs/dbraw/zinc/30/08/65/442300865.db2.gz CPYTTWJKMOZRIL-UHFFFAOYSA-N 0 0 340.391 1.597 10 0 EDAERN COc1c(CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(C)nn1C ZINC000153763325 442301593 /nfs/dbraw/zinc/30/15/93/442301593.db2.gz DCLHWZDKCCBDLR-CYBMUJFWSA-N 0 0 332.408 1.897 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CC3(CS(C)(=O)=O)CC3)C2)c1 ZINC000176778881 442256795 /nfs/dbraw/zinc/25/67/95/442256795.db2.gz GSOQLGUEBWQYCG-AWEZNQCLSA-N 0 0 339.461 1.570 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000177257390 442321024 /nfs/dbraw/zinc/32/10/24/442321024.db2.gz SHTJJDGYBXJKMY-MLGOLLRUSA-N 0 0 347.459 1.669 10 0 EDAERN C[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)N1CCc2ccccc21 ZINC000177323023 442328556 /nfs/dbraw/zinc/32/85/56/442328556.db2.gz KHZULRLNKDVXLG-HIFRSBDPSA-N 0 0 340.431 1.863 10 0 EDAERN CCOCCO[C@@H](C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171234191 442331573 /nfs/dbraw/zinc/33/15/73/442331573.db2.gz NNGLCTVVTWIBEV-GXTWGEPZSA-N 0 0 325.409 1.601 10 0 EDAERN CS(=O)(=O)CCCC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000154322049 442332969 /nfs/dbraw/zinc/33/29/69/442332969.db2.gz FOWMLFSDYBXWNC-STQMWFEESA-N 0 0 329.418 1.519 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 ZINC000171288022 442338772 /nfs/dbraw/zinc/33/87/72/442338772.db2.gz NMAMBQXFXJERNH-MRXNPFEDSA-N 0 0 340.427 1.810 10 0 EDAERN C[C@@H](SC[C@@H](O)CO)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000177435731 442340960 /nfs/dbraw/zinc/34/09/60/442340960.db2.gz MIIUMBDLGLMLNM-APPZFPTMSA-N 0 0 330.406 1.849 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCN2CCOC(C)(C)C2)cn1 ZINC000171365486 442343732 /nfs/dbraw/zinc/34/37/32/442343732.db2.gz SJMFDNRJWYISDV-OAHLLOKOSA-N 0 0 335.452 1.377 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1N1CCOCC1 ZINC000177228909 442316444 /nfs/dbraw/zinc/31/64/44/442316444.db2.gz QOTYAVHAYCQIQP-JSGCOSHPSA-N 0 0 338.839 1.326 10 0 EDAERN CCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626746 442364296 /nfs/dbraw/zinc/36/42/96/442364296.db2.gz QRZZBWIGPWMRCU-GFCCVEGCSA-N 0 0 343.387 1.137 10 0 EDAERN CCn1cc(C2CCN([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)cn1 ZINC000171639389 442365380 /nfs/dbraw/zinc/36/53/80/442365380.db2.gz DXJBDJSUSXPZRO-LBPRGKRZSA-N 0 0 344.467 1.677 10 0 EDAERN C[C@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCS1 ZINC000171697820 442371405 /nfs/dbraw/zinc/37/14/05/442371405.db2.gz ADBRWDLKHHGJNU-JTQLQIEISA-N 0 0 343.399 1.457 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000177713700 442374382 /nfs/dbraw/zinc/37/43/82/442374382.db2.gz ZZXSAYBEWNIZFL-GUYCJALGSA-N 0 0 346.431 1.829 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc(C4CC4)on3)CC2)no1 ZINC000171864043 442385491 /nfs/dbraw/zinc/38/54/91/442385491.db2.gz RJEAMEREXBGYRC-UHFFFAOYSA-N 0 0 331.376 1.592 10 0 EDAERN COCCC1(C(=O)N[C@@H]2CCCn3nc(COC)nc32)CCCC1 ZINC000155348134 442389605 /nfs/dbraw/zinc/38/96/05/442389605.db2.gz ACTMUBXFVYDVGA-CYBMUJFWSA-N 0 0 336.436 1.973 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CN2CCCCCCC2=O)C1 ZINC000171956561 442392971 /nfs/dbraw/zinc/39/29/71/442392971.db2.gz UOXFAMOZZBFNLO-OAHLLOKOSA-N 0 0 347.463 1.797 10 0 EDAERN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000177568617 442358132 /nfs/dbraw/zinc/35/81/32/442358132.db2.gz KUSKHMIQWAQRFN-BFHNITGGSA-N 0 0 349.460 1.487 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1C ZINC000177606301 442361653 /nfs/dbraw/zinc/36/16/53/442361653.db2.gz QIHFKUZVABGTAZ-LSDHHAIUSA-N 0 0 333.432 1.155 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)C[C@@H]3CCCCO3)CCCC2)no1 ZINC000177607921 442362137 /nfs/dbraw/zinc/36/21/37/442362137.db2.gz BWTJLFDYQDRQNF-LBPRGKRZSA-N 0 0 343.449 1.890 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)c3cn(C)c(C)n3)CCCC2)no1 ZINC000177608816 442362228 /nfs/dbraw/zinc/36/22/28/442362228.db2.gz XFDHSWIKCJDTLJ-UHFFFAOYSA-N 0 0 339.421 1.422 10 0 EDAERN COCCCOc1cccc(C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177619392 442363586 /nfs/dbraw/zinc/36/35/86/442363586.db2.gz WSDYEKFYIFLBAO-OAHLLOKOSA-N 0 0 330.388 1.958 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCCN1CCOC1=O ZINC000172074805 442406652 /nfs/dbraw/zinc/40/66/52/442406652.db2.gz QPQCVHPWAMLQNC-AWEZNQCLSA-N 0 0 349.435 1.726 10 0 EDAERN O=C(NC[C@@H]1CCCOC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172126126 442411518 /nfs/dbraw/zinc/41/15/18/442411518.db2.gz PWRRTSYOALVJHF-WMZOPIPTSA-N 0 0 347.459 1.474 10 0 EDAERN C[C@@H](NC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1nnc2n1CCCC2 ZINC000178197764 442414828 /nfs/dbraw/zinc/41/48/28/442414828.db2.gz DJRFOXCEWJTCGD-OLZOCXBDSA-N 0 0 343.435 1.988 10 0 EDAERN COCCN1CCN(C(=O)c2ccccc2N2CCOCC2)C[C@H]1C ZINC000172223931 442426043 /nfs/dbraw/zinc/42/60/43/442426043.db2.gz GQSORNPMYWMAQR-MRXNPFEDSA-N 0 0 347.459 1.316 10 0 EDAERN Cn1cc(CN2CCCN(S(=O)(=O)CC3CCCC3)CC2)cn1 ZINC000178341193 442425345 /nfs/dbraw/zinc/42/53/45/442425345.db2.gz WILIRYMCTPWMRN-UHFFFAOYSA-N 0 0 340.493 1.448 10 0 EDAERN CC(C)C(=O)CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000133684654 442429306 /nfs/dbraw/zinc/42/93/06/442429306.db2.gz GJSNNKCCXIYLDU-UHFFFAOYSA-N 0 0 325.365 1.515 10 0 EDAERN C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000172241210 442428546 /nfs/dbraw/zinc/42/85/46/442428546.db2.gz YZBZNXVKHFZTRI-GXTWGEPZSA-N 0 0 327.450 1.022 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCCc3ccccn3)CCO2)[nH]1 ZINC000178428834 442433368 /nfs/dbraw/zinc/43/33/68/442433368.db2.gz YIIVUPGSLLMSMU-CQSZACIVSA-N 0 0 330.392 1.224 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 ZINC000172304147 442440005 /nfs/dbraw/zinc/44/00/05/442440005.db2.gz GPUMYDRXOVVCSS-MRXNPFEDSA-N 0 0 347.463 1.536 10 0 EDAERN CC(C)NC(=O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179449411 442458795 /nfs/dbraw/zinc/45/87/95/442458795.db2.gz WWQIIZUYISVKOQ-RHSMWYFYSA-N 0 0 349.406 1.376 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c[nH]c(=O)c3ccccc13)CC2 ZINC000191664842 442486526 /nfs/dbraw/zinc/48/65/26/442486526.db2.gz BGLBWPFGKRKEBX-NSHDSACASA-N 0 0 337.383 1.427 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cnn4ccc(C)nc34)CCO2)cn1 ZINC000191733373 442502238 /nfs/dbraw/zinc/50/22/38/442502238.db2.gz DHHCOTVXZYEXAI-OAHLLOKOSA-N 0 0 340.387 1.468 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CNc3ccccc3OC)CCO2)cn1 ZINC000191787573 442510575 /nfs/dbraw/zinc/51/05/75/442510575.db2.gz GHDWYRKBANHNCI-KRWDZBQOSA-N 0 0 344.415 1.924 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)cn1 ZINC000191748502 442504633 /nfs/dbraw/zinc/50/46/33/442504633.db2.gz IHEDMKUMJXELNU-NVXWUHKLSA-N 0 0 327.384 1.979 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000179818554 442507169 /nfs/dbraw/zinc/50/71/69/442507169.db2.gz MCTBRENTHRTYLS-INIZCTEOSA-N 0 0 342.443 1.616 10 0 EDAERN Cn1nccc1C1CCN(C(=O)NCCC(=O)N2CCCCC2)CC1 ZINC000156251618 442459850 /nfs/dbraw/zinc/45/98/50/442459850.db2.gz ZVQOSKOXWPJICJ-UHFFFAOYSA-N 0 0 347.463 1.712 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc1C ZINC000186186126 442480609 /nfs/dbraw/zinc/48/06/09/442480609.db2.gz QJSOQRKTXFBTPH-UHFFFAOYSA-N 0 0 338.429 1.293 10 0 EDAERN Cc1nccc(C(=O)N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191912354 442539027 /nfs/dbraw/zinc/53/90/27/442539027.db2.gz TYWVZRFMQKZOGT-UHFFFAOYSA-N 0 0 348.447 1.663 10 0 EDAERN CNS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)nc1 ZINC000186488856 442544883 /nfs/dbraw/zinc/54/48/83/442544883.db2.gz RNBZGCFJHVGOLJ-JTQLQIEISA-N 0 0 338.389 1.774 10 0 EDAERN CC(C)CC(=O)NCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000172819085 442549687 /nfs/dbraw/zinc/54/96/87/442549687.db2.gz XBAFTTPMOFAGGE-ZDUSSCGKSA-N 0 0 335.452 1.385 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)CCO2)cn1 ZINC000191802209 442512974 /nfs/dbraw/zinc/51/29/74/442512974.db2.gz ZPLURAJWNOSVDR-DZKIICNBSA-N 0 0 349.431 1.782 10 0 EDAERN CSc1nsc(NC(=O)N[C@H]2CCCn3nc(C)nc32)n1 ZINC000156755333 442516629 /nfs/dbraw/zinc/51/66/29/442516629.db2.gz FSOIPYSWGRSENC-ZETCQYMHSA-N 0 0 325.423 1.817 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2OCC2CC2)c1 ZINC000156781869 442520430 /nfs/dbraw/zinc/52/04/30/442520430.db2.gz PVPNUZSTEHVMEK-UHFFFAOYSA-N 0 0 342.399 1.735 10 0 EDAERN Cc1cnc([C@H](C)CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)s1 ZINC000186366287 442520427 /nfs/dbraw/zinc/52/04/27/442520427.db2.gz FEQNHRBTKOHFFS-BXUZGUMPSA-N 0 0 346.456 1.951 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N[C@@H]2CCCCNC2=O)[C@@H]1c1ccc(F)cc1 ZINC000178913298 442524407 /nfs/dbraw/zinc/52/44/07/442524407.db2.gz QMALMGZRYHVFAN-LZWOXQAQSA-N 0 0 347.390 1.130 10 0 EDAERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC(C)(CO)CC1)C(=O)C2 ZINC000186395558 442525585 /nfs/dbraw/zinc/52/55/85/442525585.db2.gz WFMORVKYZBPOEH-GUYCJALGSA-N 0 0 343.489 1.806 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ncc(C)s1 ZINC000172725724 442527233 /nfs/dbraw/zinc/52/72/33/442527233.db2.gz IVOXMYDLHUOECA-LLVKDONJSA-N 0 0 331.463 1.272 10 0 EDAERN COCCN1CCN(C(=O)c2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000180014207 442528785 /nfs/dbraw/zinc/52/87/85/442528785.db2.gz HNWCDRGWWOPVSY-HNNXBMFYSA-N 0 0 342.443 1.880 10 0 EDAERN C/C(=C\C(=O)N1CCOC[C@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000180211264 442559296 /nfs/dbraw/zinc/55/92/96/442559296.db2.gz BVIFCPABKHXGRB-RSPDNQDQSA-N 0 0 342.317 1.821 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)Nn3cnc4ccccc43)CCO2)cn1 ZINC000191890221 442533353 /nfs/dbraw/zinc/53/33/53/442533353.db2.gz SFLRMCYWXWRTES-INIZCTEOSA-N 0 0 340.387 1.990 10 0 EDAERN NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000135267040 442573797 /nfs/dbraw/zinc/57/37/97/442573797.db2.gz UOLZDIADGNMXOU-SNVBAGLBSA-N 0 0 331.401 1.036 10 0 EDAERN CCOC(=O)N[C@H](C(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000135269161 442574139 /nfs/dbraw/zinc/57/41/39/442574139.db2.gz HDAAFJZKPNYOHD-YPMHNXCESA-N 0 0 337.424 1.562 10 0 EDAERN Cn1cnc(-c2ccc(C(=O)N3CC[C@@H](N4CCOCC4)C3)cc2)n1 ZINC000180291962 442575682 /nfs/dbraw/zinc/57/56/82/442575682.db2.gz DKNRKWATGJBWHK-MRXNPFEDSA-N 0 0 341.415 1.029 10 0 EDAERN CC[C@@H](C)Oc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)ccn1 ZINC000180377918 442589446 /nfs/dbraw/zinc/58/94/46/442589446.db2.gz LEHPTLLZCATHJI-GDBMZVCRSA-N 0 0 344.415 1.997 10 0 EDAERN Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000179176178 442589913 /nfs/dbraw/zinc/58/99/13/442589913.db2.gz PBZXXFQXPURAOG-NEPJUHHUSA-N 0 0 343.221 1.124 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCCOc1ccc(F)cc1 ZINC000179227690 442601241 /nfs/dbraw/zinc/60/12/41/442601241.db2.gz UHYNDDZJOCYMGX-HNNXBMFYSA-N 0 0 337.395 1.905 10 0 EDAERN O=C(NC[C@H]1COC2(CCCCCC2)O1)N[C@@H]1CCc2ncnn2C1 ZINC000180466161 442606626 /nfs/dbraw/zinc/60/66/26/442606626.db2.gz BBUXVWNJMNYNNJ-KGLIPLIRSA-N 0 0 349.435 1.358 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cc(C)ccc3F)CCO2)[nH]1 ZINC000180225018 442562024 /nfs/dbraw/zinc/56/20/24/442562024.db2.gz AKZJBFCODDNDIX-ZDUSSCGKSA-N 0 0 347.350 1.099 10 0 EDAERN Cc1nccc(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000157229177 442562967 /nfs/dbraw/zinc/56/29/67/442562967.db2.gz NSVSCICEMQDCBE-ZDUSSCGKSA-N 0 0 329.408 1.314 10 0 EDAERN Cc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180249627 442566435 /nfs/dbraw/zinc/56/64/35/442566435.db2.gz MYFNDJVWVFPTGN-CZUORRHYSA-N 0 0 349.406 1.252 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1C)C(C)C ZINC000179080163 442567304 /nfs/dbraw/zinc/56/73/04/442567304.db2.gz CWYDRITUUHHUBN-GFCCVEGCSA-N 0 0 325.796 1.474 10 0 EDAERN CNC(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccccc2)c1 ZINC000172922270 442568601 /nfs/dbraw/zinc/56/86/01/442568601.db2.gz FTTUMGNWOGVRJO-HNNXBMFYSA-N 0 0 326.352 1.690 10 0 EDAERN CN(C(=O)c1ncc(F)cc1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000192329948 442635013 /nfs/dbraw/zinc/63/50/13/442635013.db2.gz WXWIWPKULGLLRY-GFCCVEGCSA-N 0 0 333.342 1.891 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCCOC(C)C)C1 ZINC000192364363 442640674 /nfs/dbraw/zinc/64/06/74/442640674.db2.gz ZMYVXNAVFQWKHI-QWHCGFSZSA-N 0 0 326.397 1.665 10 0 EDAERN COc1ncncc1NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000135996301 442645721 /nfs/dbraw/zinc/64/57/21/442645721.db2.gz CJXOGGRBJHKSAL-LLVKDONJSA-N 0 0 332.364 1.663 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCCC(=O)NCC[C@H](C)O)cc1C ZINC000136038658 442647994 /nfs/dbraw/zinc/64/79/94/442647994.db2.gz MPGKFFRRIYMCPJ-AWEZNQCLSA-N 0 0 342.461 1.249 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C12CCOCC2 ZINC000187063680 442650481 /nfs/dbraw/zinc/65/04/81/442650481.db2.gz YIZWQMIBMCSEDC-KGLIPLIRSA-N 0 0 340.464 1.629 10 0 EDAERN COC(=O)c1ccccc1CCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000187089917 442652292 /nfs/dbraw/zinc/65/22/92/442652292.db2.gz WLYXYRDFZNSBDH-HNNXBMFYSA-N 0 0 330.388 1.516 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CC)C[C@H](O)C(F)(F)F)CC2 ZINC000187113814 442653851 /nfs/dbraw/zinc/65/38/51/442653851.db2.gz BXISXSXHWLOAAC-UWVGGRQHSA-N 0 0 349.357 1.110 10 0 EDAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN(CC(F)(F)F)C1CC1 ZINC000179305907 442617600 /nfs/dbraw/zinc/61/76/00/442617600.db2.gz DRACXAIXFUWQAW-NSHDSACASA-N 0 0 342.317 1.670 10 0 EDAERN Cc1nc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c(=O)[nH]c1C ZINC000179336402 442624491 /nfs/dbraw/zinc/62/44/91/442624491.db2.gz ZVSIIAJXYIWDOB-LBPRGKRZSA-N 0 0 347.396 1.035 10 0 EDAERN COCCOCCS(=O)(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180590188 442630145 /nfs/dbraw/zinc/63/01/45/442630145.db2.gz KRJARFWWHOGPBA-CJNGLKHVSA-N 0 0 327.446 1.811 10 0 EDAERN CCc1onc(C)c1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192690197 442677579 /nfs/dbraw/zinc/67/75/79/442677579.db2.gz DLPFYCSUKFDLGU-VIFPVBQESA-N 0 0 337.401 1.684 10 0 EDAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)nn1-c1ccccc1Cl ZINC000181352136 442691861 /nfs/dbraw/zinc/69/18/61/442691861.db2.gz ZCFGYLGFNTYSJG-AWEZNQCLSA-N 0 0 348.790 1.160 10 0 EDAERN Cc1ccc(CS(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c(F)c1 ZINC000192884905 442695169 /nfs/dbraw/zinc/69/51/69/442695169.db2.gz UJVDLBPJFRYACM-UHFFFAOYSA-N 0 0 340.420 1.564 10 0 EDAERN CNC(=O)[C@H]1CN(C(=O)N[C@H](C)c2ccc(Cl)s2)CCO1 ZINC000181562436 442704023 /nfs/dbraw/zinc/70/40/23/442704023.db2.gz FJPCXKSSHDDACP-RKDXNWHRSA-N 0 0 331.825 1.619 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000192990965 442704188 /nfs/dbraw/zinc/70/41/88/442704188.db2.gz YUPXAGZPNRXVNE-ZDUSSCGKSA-N 0 0 326.780 1.986 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3CCCc4cccnc43)CCO2)c1 ZINC000192560934 442662338 /nfs/dbraw/zinc/66/23/38/442662338.db2.gz FRLUXVPLKPHCAN-IAGOWNOFSA-N 0 0 340.427 1.934 10 0 EDAERN CC[C@]1(C)NC(=O)N(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000193165657 442719148 /nfs/dbraw/zinc/71/91/48/442719148.db2.gz XPOOJMGHAQOJME-LSYCYVAJSA-N 0 0 337.326 1.820 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000188201821 442724141 /nfs/dbraw/zinc/72/41/41/442724141.db2.gz GUBJNEJBGFWOIR-MRXNPFEDSA-N 0 0 334.397 1.951 10 0 EDAERN CCCCOC[C@H](O)CN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000193376759 442737404 /nfs/dbraw/zinc/73/74/04/442737404.db2.gz UFHZKVDJSBEUBZ-LJQANCHMSA-N 0 0 348.487 1.859 10 0 EDAERN COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c(OCC2CC2)c1 ZINC000188341803 442741699 /nfs/dbraw/zinc/74/16/99/442741699.db2.gz FHPSNFIDGUWFAT-HNNXBMFYSA-N 0 0 334.416 1.544 10 0 EDAERN COc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000193518232 442750421 /nfs/dbraw/zinc/75/04/21/442750421.db2.gz SCCCTASFVLSNML-LLVKDONJSA-N 0 0 329.360 1.185 10 0 EDAERN Cc1noc([C@@H]2COCCN2Cc2ccc(-n3cncn3)c(C)c2)n1 ZINC000188481075 442755092 /nfs/dbraw/zinc/75/50/92/442755092.db2.gz TZXLZLJEUKZYRP-INIZCTEOSA-N 0 0 340.387 1.841 10 0 EDAERN COc1ccc(Cl)cc1NCCC(=O)N1CCCNC(=O)[C@@H]1C ZINC000188074535 442708474 /nfs/dbraw/zinc/70/84/74/442708474.db2.gz FTBJWKDLMFTMCZ-NSHDSACASA-N 0 0 339.823 1.888 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000188093466 442710625 /nfs/dbraw/zinc/71/06/25/442710625.db2.gz MRXYTAIILSDRKR-JTQLQIEISA-N 0 0 334.326 1.501 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(Br)c1C ZINC000193085126 442711232 /nfs/dbraw/zinc/71/12/32/442711232.db2.gz IQJMUKPZHKZRIT-ZWNOBZJWSA-N 0 0 341.205 1.678 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCCCSC ZINC000188116122 442713533 /nfs/dbraw/zinc/71/35/33/442713533.db2.gz GEAOFBWUPJICPQ-ZDUSSCGKSA-N 0 0 336.523 1.840 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000181746183 442714248 /nfs/dbraw/zinc/71/42/48/442714248.db2.gz BRPDDGVGLLCASR-FGTMMUONSA-N 0 0 331.460 1.888 10 0 EDAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188521792 442760025 /nfs/dbraw/zinc/76/00/25/442760025.db2.gz OZEUTSOATYWWML-CQSZACIVSA-N 0 0 349.475 1.398 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)NCCC(C)(C)C)n1C ZINC000182385784 442762351 /nfs/dbraw/zinc/76/23/51/442762351.db2.gz MBHNMDQVCFWBFL-UHFFFAOYSA-N 0 0 344.481 1.406 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]nc2C(C)C)ncn1 ZINC000193647035 442763415 /nfs/dbraw/zinc/76/34/15/442763415.db2.gz DWNGKJMFDLPUJC-LBPRGKRZSA-N 0 0 343.435 1.764 10 0 EDAERN CCc1noc([C@H](C)N2CCN(Cc3noc(COC)n3)CC2)n1 ZINC000182443113 442767663 /nfs/dbraw/zinc/76/76/63/442767663.db2.gz GGQKMZHAXWYWFL-NSHDSACASA-N 0 0 336.396 1.040 10 0 EDAERN CC(C)CN1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1=O ZINC000188626047 442773210 /nfs/dbraw/zinc/77/32/10/442773210.db2.gz SOGMYSHNDYZMSK-QGZVFWFLSA-N 0 0 331.460 1.486 10 0 EDAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000246344496 442774591 /nfs/dbraw/zinc/77/45/91/442774591.db2.gz VYMLKNGMTDFIEU-GJZGRUSLSA-N 0 0 342.484 1.043 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000193917036 442812539 /nfs/dbraw/zinc/81/25/39/442812539.db2.gz YGKDBPNSMZDTGI-KBPBESRZSA-N 0 0 345.424 1.625 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)c(C)c2)CCN1C[C@H](C)O ZINC000246916881 442821863 /nfs/dbraw/zinc/82/18/63/442821863.db2.gz GIRYYPOZKFWEPI-RDJZCZTQSA-N 0 0 347.459 1.546 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CCN1C[C@H](C)O ZINC000246950068 442824049 /nfs/dbraw/zinc/82/40/49/442824049.db2.gz SFPAKSAETXOWNX-WXQIDZRNSA-N 0 0 338.473 1.341 10 0 EDAERN CCCNC(=O)CNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194011453 442827602 /nfs/dbraw/zinc/82/76/02/442827602.db2.gz OWXCXXUQAJPZOS-NSHDSACASA-N 0 0 326.422 1.061 10 0 EDAERN CCc1cc(=O)[nH]c(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182859076 442837325 /nfs/dbraw/zinc/83/73/25/442837325.db2.gz WYTHRZNZUABYOE-JTQLQIEISA-N 0 0 336.417 1.243 10 0 EDAERN O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247158113 442837928 /nfs/dbraw/zinc/83/79/28/442837928.db2.gz QJXKNIPJKWMGDU-MSOLQXFVSA-N 0 0 347.434 1.552 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000247235275 442843451 /nfs/dbraw/zinc/84/34/51/442843451.db2.gz OGKHRURCTQRMOK-MJBXVCDLSA-N 0 0 338.398 1.983 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1cccc(Br)c1 ZINC000188935944 442845575 /nfs/dbraw/zinc/84/55/75/442845575.db2.gz SHJAVEKHVACZJP-SNVBAGLBSA-N 0 0 325.206 1.729 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000194115157 442847600 /nfs/dbraw/zinc/84/76/00/442847600.db2.gz NNLJSGVJKVRUEJ-ZDUSSCGKSA-N 0 0 345.378 1.873 10 0 EDAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)cn1 ZINC000189220764 442900100 /nfs/dbraw/zinc/90/01/00/442900100.db2.gz IDBGBMOCHOUYHT-HNNXBMFYSA-N 0 0 339.392 1.804 10 0 EDAERN CSc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1Cl ZINC000189205006 442897152 /nfs/dbraw/zinc/89/71/52/442897152.db2.gz BXHSYCZYBZGRLK-ZYHUDNBSSA-N 0 0 328.821 1.982 10 0 EDAERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000248533409 442898815 /nfs/dbraw/zinc/89/88/15/442898815.db2.gz INUCBXOAPSQGBQ-ZACQAIPSSA-N 0 0 339.480 1.696 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000194156994 442853393 /nfs/dbraw/zinc/85/33/93/442853393.db2.gz PCKYZMYJMRNEFN-ZDUSSCGKSA-N 0 0 334.420 1.408 10 0 EDAERN Cc1cnc(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000181611651 318486738 /nfs/dbraw/zinc/48/67/38/318486738.db2.gz IZJVAGSRCQXXJC-LLVKDONJSA-N 0 0 334.449 1.981 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000182036030 318495855 /nfs/dbraw/zinc/49/58/55/318495855.db2.gz GPPKGXIJAZCUCF-WFASDCNBSA-N 0 0 338.452 1.493 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(N)cc1 ZINC000248654850 442913602 /nfs/dbraw/zinc/91/36/02/442913602.db2.gz VZJDCIQHIGETPY-DFBGVHRSSA-N 0 0 338.429 1.764 10 0 EDAERN COCC(=O)N1CCc2cc(NCc3c(C)nn(C)c3OC)ccc21 ZINC000189306940 442917566 /nfs/dbraw/zinc/91/75/66/442917566.db2.gz DWMFGKVGDQLIQL-UHFFFAOYSA-N 0 0 344.415 1.885 10 0 EDAERN COc1ccccc1S(=O)(=O)CCCN1CCCNC(=O)[C@H]1C ZINC000189314369 442919592 /nfs/dbraw/zinc/91/95/92/442919592.db2.gz ZSDROJJCBASTND-CYBMUJFWSA-N 0 0 340.445 1.069 10 0 EDAERN CC(C)n1nnnc1-c1ccc(N[C@H](C)CS(C)(=O)=O)cc1F ZINC000183754133 318528499 /nfs/dbraw/zinc/52/84/99/318528499.db2.gz LMTAQNKZGANUPL-SNVBAGLBSA-N 0 0 341.412 1.905 10 0 EDAERN O=C(NCCNC(=O)c1ccc(F)cc1)N[C@H]1COc2ccccc21 ZINC000194686358 442937514 /nfs/dbraw/zinc/93/75/14/442937514.db2.gz CWVPEJYGOKEFJM-HNNXBMFYSA-N 0 0 343.358 1.988 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000189413728 442944981 /nfs/dbraw/zinc/94/49/81/442944981.db2.gz KLRGWMUQKRGEQV-GVXVVHGQSA-N 0 0 329.343 1.636 10 0 EDAERN C[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nnc2n1CCCC2 ZINC000188407693 318560082 /nfs/dbraw/zinc/56/00/82/318560082.db2.gz BEVBHRKBFPWURB-NSHDSACASA-N 0 0 337.383 1.947 10 0 EDAERN O=C(Nc1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1)c1ccncc1 ZINC000194819152 442958527 /nfs/dbraw/zinc/95/85/27/442958527.db2.gz LEPVQMYLLXJVDP-CQSZACIVSA-N 0 0 338.367 1.086 10 0 EDAERN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[C@H]1CNC(=O)C1 ZINC000194823371 442959058 /nfs/dbraw/zinc/95/90/58/442959058.db2.gz VVSYJRQGMXEZQO-PWSUYJOCSA-N 0 0 338.791 1.972 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc(-n3ccnc3)cc2)n1 ZINC000183758898 442961263 /nfs/dbraw/zinc/96/12/63/442961263.db2.gz UXFUWHLEGXSCHI-OAHLLOKOSA-N 0 0 339.355 1.777 10 0 EDAERN O=C(CCc1nc(-c2cccs2)no1)N1CC(NC(=O)C2CC2)C1 ZINC000189475785 442963452 /nfs/dbraw/zinc/96/34/52/442963452.db2.gz NCLXAJYNFRXAEE-UHFFFAOYSA-N 0 0 346.412 1.468 10 0 EDAERN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000192620255 318578867 /nfs/dbraw/zinc/57/88/67/318578867.db2.gz AKWZWFOXFYFHLN-SCZZXKLOSA-N 0 0 342.804 1.872 10 0 EDAERN COCCO[C@@H]1CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000189515407 442970594 /nfs/dbraw/zinc/97/05/94/442970594.db2.gz GZDUQHTYOIVDDL-GDBMZVCRSA-N 0 0 328.453 1.437 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000249494520 442977531 /nfs/dbraw/zinc/97/75/31/442977531.db2.gz ZIGHUSXKTMOUEV-OLZOCXBDSA-N 0 0 332.466 1.264 10 0 EDAERN CC[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCN1C[C@H](C)O ZINC000249547702 442985269 /nfs/dbraw/zinc/98/52/69/442985269.db2.gz GTBHLFCIRMWBBR-JQWIXIFHSA-N 0 0 346.353 1.413 10 0 EDAERN C[C@@H](NC(=O)NCC(F)(F)CO)c1ccc(S(C)(=O)=O)cc1 ZINC000184163427 442997944 /nfs/dbraw/zinc/99/79/44/442997944.db2.gz KNERPVXJUWREDN-SECBINFHSA-N 0 0 336.360 1.078 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@H](C)c3cnccn3)CC2)n1 ZINC000184525822 443034682 /nfs/dbraw/zinc/03/46/82/443034682.db2.gz PCTKMJZWXCCRCJ-CQSZACIVSA-N 0 0 328.420 1.857 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)N(C)CC ZINC000184573294 443042061 /nfs/dbraw/zinc/04/20/61/443042061.db2.gz WTCVIKCFHYCEPN-BBRMVZONSA-N 0 0 333.432 1.426 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000249719008 443000721 /nfs/dbraw/zinc/00/07/21/443000721.db2.gz LAZOLCRBAQFDFX-HRCADAONSA-N 0 0 340.464 1.725 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC000190339593 443087779 /nfs/dbraw/zinc/08/77/79/443087779.db2.gz HLZAATDBLYYRBY-JSGCOSHPSA-N 0 0 330.388 1.815 10 0 EDAERN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCC[C@H](n2cncn2)C1 ZINC000255170958 443089079 /nfs/dbraw/zinc/08/90/79/443089079.db2.gz PNGGODVESKAEIP-SDQPKGBYSA-N 0 0 326.356 1.884 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCOc2c(C)cccc2C)CC1 ZINC000184878472 443090463 /nfs/dbraw/zinc/09/04/63/443090463.db2.gz FSXDQXVTSUXYCE-QGZVFWFLSA-N 0 0 349.475 1.780 10 0 EDAERN CCS(=O)(=O)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000223557597 443091318 /nfs/dbraw/zinc/09/13/18/443091318.db2.gz PLZULJSBTMTOGC-INIZCTEOSA-N 0 0 335.429 1.520 10 0 EDAERN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2C)n1 ZINC000224175856 443096743 /nfs/dbraw/zinc/09/67/43/443096743.db2.gz QEOOYXGVIKZARB-UHFFFAOYSA-N 0 0 326.400 1.860 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCCN(C)c2ccccc2)CC1 ZINC000184717731 443065568 /nfs/dbraw/zinc/06/55/68/443065568.db2.gz JQALHDMQQBLYRW-SFHVURJKSA-N 0 0 348.491 1.611 10 0 EDAERN NS(=O)(=O)c1ccc(N2C(=O)N[C@@H](c3ccccc3)C2=O)cc1 ZINC000221638521 443072151 /nfs/dbraw/zinc/07/21/51/443072151.db2.gz YFTZHJYKNOAYKJ-ZDUSSCGKSA-N 0 0 331.353 1.132 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000184770473 443074137 /nfs/dbraw/zinc/07/41/37/443074137.db2.gz HOWPHWFDPRLKAB-QGZVFWFLSA-N 0 0 331.460 1.816 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000190251560 443076459 /nfs/dbraw/zinc/07/64/59/443076459.db2.gz BRVMNVMCRIFSLH-UHFFFAOYSA-N 0 0 346.309 1.009 10 0 EDAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(N2CCCCC2)cc1 ZINC000185146191 443147994 /nfs/dbraw/zinc/14/79/94/443147994.db2.gz VEMGYOXYQYMAKP-SJORKVTESA-N 0 0 333.432 1.043 10 0 EDAERN Cc1cnn(CCNc2ncc(I)cn2)c1 ZINC000231716911 443136657 /nfs/dbraw/zinc/13/66/57/443136657.db2.gz OBZPGDMQFZFWTA-UHFFFAOYSA-N 0 0 329.145 1.698 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCC(C)(C)CCOC)CCO2)[nH]1 ZINC000185134644 443144698 /nfs/dbraw/zinc/14/46/98/443144698.db2.gz UATWFHKAYKDKGU-GFCCVEGCSA-N 0 0 339.440 1.513 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000190450238 443110879 /nfs/dbraw/zinc/11/08/79/443110879.db2.gz BYIYAQBCLXHUJP-SECBINFHSA-N 0 0 346.836 1.843 10 0 EDAERN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2CCCC[C@H]2CO)n1 ZINC000190446654 443111298 /nfs/dbraw/zinc/11/12/98/443111298.db2.gz VCQISEWFXCEPDX-KBPBESRZSA-N 0 0 344.419 1.952 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cccc(I)c2)C1 ZINC000190535328 443130674 /nfs/dbraw/zinc/13/06/74/443130674.db2.gz RPCRRDIMPYLOLN-UHFFFAOYSA-N 0 0 344.152 1.252 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCc3ccc(OC)nc3)CCO2)cn1 ZINC000190695168 443166207 /nfs/dbraw/zinc/16/62/07/443166207.db2.gz HGLCDTUXHWSCQC-HNNXBMFYSA-N 0 0 345.403 1.590 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)C1 ZINC000185249392 443169303 /nfs/dbraw/zinc/16/93/03/443169303.db2.gz FNWYTOBBEIBKJO-ZDUSSCGKSA-N 0 0 348.443 1.725 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)NCc3ccc(F)cc3)CCO2)cn1 ZINC000190737053 443173574 /nfs/dbraw/zinc/17/35/74/443173574.db2.gz RCGVFVHJNHPREE-KRWDZBQOSA-N 0 0 346.406 1.732 10 0 EDAERN CCOc1c(Cl)cccc1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000190747362 443175554 /nfs/dbraw/zinc/17/55/54/443175554.db2.gz JTQKJRWLXHNZAS-CYBMUJFWSA-N 0 0 326.824 1.728 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2ccccc2F)C1 ZINC000185320676 443182945 /nfs/dbraw/zinc/18/29/45/443182945.db2.gz VRLBKZOSZOWUMI-UHFFFAOYSA-N 0 0 337.395 1.260 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CCCNC(=O)C1CCCC1 ZINC000190819714 443189785 /nfs/dbraw/zinc/18/97/85/443189785.db2.gz SIWLUTQLYCSDEQ-QFIPXVFZSA-N 0 0 327.454 1.199 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2nc(C(C)(C)C)cs2)C1 ZINC000185380265 443192242 /nfs/dbraw/zinc/19/22/42/443192242.db2.gz NGDNMZGPOHECNN-UHFFFAOYSA-N 0 0 340.449 1.097 10 0 EDAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2cccnc2)C12CCOCC2 ZINC000185154897 443149954 /nfs/dbraw/zinc/14/99/54/443149954.db2.gz CIGJBDKIJZGVOL-KBPBESRZSA-N 0 0 326.418 1.334 10 0 EDAERN OC[C@H]1C[C@H](O)CN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000185160036 443150964 /nfs/dbraw/zinc/15/09/64/443150964.db2.gz WCPKOKVNAKCNJW-BDAKNGLRSA-N 0 0 329.278 1.081 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000191020188 443226193 /nfs/dbraw/zinc/22/61/93/443226193.db2.gz XWHXBUWFICMLHY-UHFFFAOYSA-N 0 0 338.448 1.620 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)CC[N@@H+]1CCOC ZINC000245456490 443229751 /nfs/dbraw/zinc/22/97/51/443229751.db2.gz IXXJGMWWVVAXNC-ARFHVFGLSA-N 0 0 340.464 1.535 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C[C@@H](C)O1 ZINC000245599364 443239778 /nfs/dbraw/zinc/23/97/78/443239778.db2.gz IJWDGEUVRGFTIA-RYPCIWMOSA-N 0 0 334.391 1.981 10 0 EDAERN O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCCN1c1ccccc1F ZINC000245744327 443246699 /nfs/dbraw/zinc/24/66/99/443246699.db2.gz FOXICEVPTMVYRZ-QAPCUYQASA-N 0 0 347.434 1.728 10 0 EDAERN COCC1=CCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000185783404 443256703 /nfs/dbraw/zinc/25/67/03/443256703.db2.gz XNGKQXWGFYWAAF-AWEZNQCLSA-N 0 0 333.436 1.704 10 0 EDAERN CN(CC(=O)N[C@H]1CCCn2ncnc21)C(=O)OCc1ccccc1 ZINC000191279549 443271409 /nfs/dbraw/zinc/27/14/09/443271409.db2.gz FQEZNJFAXIAPDP-AWEZNQCLSA-N 0 0 343.387 1.498 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)C(C)C ZINC000246145244 443272736 /nfs/dbraw/zinc/27/27/36/443272736.db2.gz DCEJLHGBHLGGMQ-VNQPRFMTSA-N 0 0 333.432 1.929 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000191482177 443300650 /nfs/dbraw/zinc/30/06/50/443300650.db2.gz WHBWRESYBMRSEH-KRWDZBQOSA-N 0 0 333.407 1.527 10 0 EDAERN CCOC(=O)N1CC[C@@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000186039601 443301953 /nfs/dbraw/zinc/30/19/53/443301953.db2.gz SRXFZDIQXDFYLG-OAHLLOKOSA-N 0 0 349.435 1.536 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000191475869 443299689 /nfs/dbraw/zinc/29/96/89/443299689.db2.gz VVNKTMZPIFIEFR-UHFFFAOYSA-N 0 0 337.379 1.899 10 0 EDAERN NC(=O)[C@@H]1CN(Cc2nccn2CC(F)(F)F)C[C@H]1C(F)(F)F ZINC000299744611 444132308 /nfs/dbraw/zinc/13/23/08/444132308.db2.gz PKBGEDHHBBOUSN-HTQZYQBOSA-N 0 0 344.259 1.541 10 0 EDAERN CSCCC(=O)N1CCC[C@@H](N(C)Cc2nccc(N)n2)CC1 ZINC000328652677 444416219 /nfs/dbraw/zinc/41/62/19/444416219.db2.gz WPFPNBDPUCDHQS-CYBMUJFWSA-N 0 0 337.493 1.625 10 0 EDAERN CN1CCO[C@@H](CN(CC(N)=O)C(=O)COC2CCCCC2)C1 ZINC000328627815 444401472 /nfs/dbraw/zinc/40/14/72/444401472.db2.gz GOKLLRSFWMRVNJ-CQSZACIVSA-N 0 0 327.425 1.030 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c(=O)[nH]1 ZINC000377058502 446893200 /nfs/dbraw/zinc/89/32/00/446893200.db2.gz WQCWIJHNFPHLHM-HOTGVXAUSA-N 0 0 341.367 1.633 10 0 EDAERN CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)C2=CCOCC2)n1C ZINC000377608645 447242180 /nfs/dbraw/zinc/24/21/80/447242180.db2.gz TUSSSMBLISCVRJ-HNNXBMFYSA-N 0 0 331.416 1.785 10 0 EDAERN CSc1c(F)c(I)ccc1S(N)(=O)=O ZINC000575705855 447882129 /nfs/dbraw/zinc/88/21/29/447882129.db2.gz QZKNRNGIVHVRAN-UHFFFAOYSA-N 0 0 347.174 1.800 10 0 EDAERN O[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1CNc1cnc2cc(F)c(F)cc2n1 ZINC000527563976 448295157 /nfs/dbraw/zinc/29/51/57/448295157.db2.gz IBTKVXZMASUQHO-ATEUNZGCSA-N 0 0 346.341 1.993 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(O)cc(Br)c2)C1 ZINC000528318820 448485968 /nfs/dbraw/zinc/48/59/68/448485968.db2.gz ZHGFBSFTTNCOAY-LBPRGKRZSA-N 0 0 329.194 1.215 10 0 EDAERN O=C([O-])[C@@H]1C[C@H](N2CC[NH2+]CC2)CN(C(=O)OCc2ccccc2)C1 ZINC000536960533 448548880 /nfs/dbraw/zinc/54/88/80/448548880.db2.gz WFCUHUXEDPAYRD-CVEARBPZSA-N 0 0 347.415 1.004 10 0 EDAERN O=S1(=O)CCN2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 ZINC000521398535 448980092 /nfs/dbraw/zinc/98/00/92/448980092.db2.gz MRVPXYJXGXUJDA-LLVKDONJSA-N 0 0 335.351 1.019 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccc(N)nc2)CC1 ZINC000616596247 450454483 /nfs/dbraw/zinc/45/44/83/450454483.db2.gz UDDZTDKXMQEQSW-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOCC[C@@H]1OC(F)(F)F ZINC000616598218 450454604 /nfs/dbraw/zinc/45/46/04/450454604.db2.gz IMQSKHSMDFVTOU-NSHDSACASA-N 0 0 325.308 1.960 10 0 EDAERN NC(=O)c1ccc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000616637981 450456983 /nfs/dbraw/zinc/45/69/83/450456983.db2.gz FAAFCWJWGVABDQ-MRXNPFEDSA-N 0 0 345.424 1.121 10 0 EDAERN CCOC(=O)c1cccc([C@@H]2CN(S(C)(=O)=O)CCCO2)c1 ZINC000616651363 450457905 /nfs/dbraw/zinc/45/79/05/450457905.db2.gz RFVIKQNFPNXOEG-AWEZNQCLSA-N 0 0 327.402 1.586 10 0 EDAERN CCOC(=O)c1ccccc1[C@@H]1CCN(S(C)(=O)=O)CCO1 ZINC000616666005 450458457 /nfs/dbraw/zinc/45/84/57/450458457.db2.gz FKJSFPGCJFBVBQ-AWEZNQCLSA-N 0 0 327.402 1.586 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2cccc3nnccc32)Nc2ccccc21 ZINC000616681124 450460150 /nfs/dbraw/zinc/46/01/50/450460150.db2.gz SFNHJIBGWNEQFX-HNNXBMFYSA-N 0 0 341.396 1.807 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccccc1Cn1cccn1 ZINC000616772453 450480964 /nfs/dbraw/zinc/48/09/64/450480964.db2.gz VEUBWFUNPOETKG-GVDBMIGSSA-N 0 0 337.383 1.232 10 0 EDAERN Cn1cc(O[C@@H]2CN(c3cncc(Br)c3)C[C@H]2O)cn1 ZINC000624423150 450844824 /nfs/dbraw/zinc/84/48/24/450844824.db2.gz YEDUFNPBHSVPAG-CHWSQXEVSA-N 0 0 339.193 1.206 10 0 EDAERN Cc1ccccc1C1(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N)n3)C2)CC1 ZINC000630721255 451359520 /nfs/dbraw/zinc/35/95/20/451359520.db2.gz DPOWHOIHBZZDFB-ZDUSSCGKSA-N 0 0 338.411 2.121 10 0 EDAERN Cc1ccccc1C1(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N)n3)C2)CC1 ZINC000630721253 451359530 /nfs/dbraw/zinc/35/95/30/451359530.db2.gz DPOWHOIHBZZDFB-CYBMUJFWSA-N 0 0 338.411 2.121 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCc2cccc(Cl)c2C1 ZINC000644498974 451814607 /nfs/dbraw/zinc/81/46/07/451814607.db2.gz PPQLGJFNIOMEES-OAHLLOKOSA-N 0 0 336.819 1.598 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)N(CCc1cccc(F)c1)C1CC1 ZINC000644362789 453350957 /nfs/dbraw/zinc/35/09/57/453350957.db2.gz QKIAZTMOUUQAKP-KRWDZBQOSA-N 0 0 348.418 1.733 10 0 EDAERN CCCCOCCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000075241244 486843147 /nfs/dbraw/zinc/84/31/47/486843147.db2.gz TYHDVRCWJNKOLN-ZDUSSCGKSA-N 0 0 332.400 1.994 10 0 EDAERN O=C(Cc1cccc2ccccc21)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671500668 486628839 /nfs/dbraw/zinc/62/88/39/486628839.db2.gz VDCOWOOKTPNVQN-IBGZPJMESA-N 0 0 336.395 1.637 10 0 EDAERN Cc1ccc2cccc(C(=O)N3CC[C@](O)(Cn4ccnn4)C3)c2n1 ZINC000671501313 486629426 /nfs/dbraw/zinc/62/94/26/486629426.db2.gz FSUHLEVZNPYCGD-GOSISDBHSA-N 0 0 337.383 1.412 10 0 EDAERN CC(C)[C@H](NC(=O)NCc1ccc(OCC(F)(F)F)nc1)C(N)=O ZINC000134680154 491225807 /nfs/dbraw/zinc/22/58/07/491225807.db2.gz VQCBGKXRQVVBNO-NSHDSACASA-N 0 0 348.325 1.332 10 0 EDAERN C[C@@H](NC(=O)C[C@@H]1c2ccccc2NC1=O)c1nnc2n1CCCC2 ZINC000135266643 491228724 /nfs/dbraw/zinc/22/87/24/491228724.db2.gz WIZMZAOSUKLVKH-DGCLKSJQSA-N 0 0 339.399 1.918 10 0 EDAERN C[C@@H](O)[C@H]1CCN(S(=O)(=O)CCSc2ccccc2N)C1 ZINC000167588305 533846555 /nfs/dbraw/zinc/84/65/55/533846555.db2.gz XSXRTJVGMUSOCP-NEPJUHHUSA-N 0 0 330.475 1.393 10 0 EDAERN COC(=O)N(C)CCCC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171510419 533877183 /nfs/dbraw/zinc/87/71/83/533877183.db2.gz QDORJRSJLBCPRT-ZDUSSCGKSA-N 0 0 338.408 1.638 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC=CCC3)C2=O)n(C)n1 ZINC000175091426 533895319 /nfs/dbraw/zinc/89/53/19/533895319.db2.gz XHJCMPWFZJAORP-KBPBESRZSA-N 0 0 331.420 1.632 10 0 EDAERN C[C@@H](CNC(=O)NCC[C@](C)(O)c1ccccc1)N1CCOCC1 ZINC000186164735 533959677 /nfs/dbraw/zinc/95/96/77/533959677.db2.gz NEMLOJHWYDGYOR-YJBOKZPZSA-N 0 0 335.448 1.304 10 0 EDAERN COc1ccc(N)c([S@](=O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000166260742 533987191 /nfs/dbraw/zinc/98/71/91/533987191.db2.gz QKIFQZZMGONQPM-PVUDRZGPSA-N 0 0 331.459 1.741 10 0 EDAERN COC(=O)c1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000173960650 533999750 /nfs/dbraw/zinc/99/97/50/533999750.db2.gz QYYQHGQNGILVGZ-BBRMVZONSA-N 0 0 332.400 1.266 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc(C)c1F ZINC000173997520 534035128 /nfs/dbraw/zinc/03/51/28/534035128.db2.gz NXUGIMJAZMHXNC-AWEZNQCLSA-N 0 0 342.436 1.538 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCc3ccccn3)CCO2)n1 ZINC000171896312 534112429 /nfs/dbraw/zinc/11/24/29/534112429.db2.gz PNFAEGFFWKUQIC-KRWDZBQOSA-N 0 0 343.431 1.548 10 0 EDAERN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cccc2cc(N)ccc21 ZINC000169083741 534219526 /nfs/dbraw/zinc/21/95/26/534219526.db2.gz GPJGHIDYBZEDTO-FVINQWEUSA-N 0 0 326.443 1.467 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000173732786 534237702 /nfs/dbraw/zinc/23/77/02/534237702.db2.gz UXKRZMUTMBYJAI-AWEZNQCLSA-N 0 0 349.412 1.523 10 0 EDAERN COC(=O)c1ccccc1CCN1CCO[C@H](Cn2cccn2)C1 ZINC000186986534 534289700 /nfs/dbraw/zinc/28/97/00/534289700.db2.gz RZRONKZYNOQZLE-INIZCTEOSA-N 0 0 329.400 1.613 10 0 EDAERN C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000173848886 534305973 /nfs/dbraw/zinc/30/59/73/534305973.db2.gz GRTPZJQIGGGPRQ-CJNGLKHVSA-N 0 0 338.835 1.898 10 0 EDAERN COC(=O)c1coc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000171561675 534315176 /nfs/dbraw/zinc/31/51/76/534315176.db2.gz NWLIEBZPQSHJDP-GOSISDBHSA-N 0 0 344.411 1.917 10 0 EDAERN Cc1ccnc(-n2nccc2NC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000189852388 534378935 /nfs/dbraw/zinc/37/89/35/534378935.db2.gz FEKGOGGPGHNZFP-LBPRGKRZSA-N 0 0 338.375 1.824 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@@H]1N1CCOCC1 ZINC000173857523 534396604 /nfs/dbraw/zinc/39/66/04/534396604.db2.gz WDCMAKNXBMEWOC-PBHICJAKSA-N 0 0 341.415 1.060 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)C[C@H]1N1CCOCC1 ZINC000173828284 534424516 /nfs/dbraw/zinc/42/45/16/534424516.db2.gz ZKVMOTQIMWESFT-SVLHDBBDSA-N 0 0 336.457 1.217 10 0 EDAERN Cc1cccc(-c2c(Cl)[nH]c(=O)n(CC[S@](C)=O)c2=O)c1 ZINC000159679145 534549627 /nfs/dbraw/zinc/54/96/27/534549627.db2.gz PSTCLEOCJXMXLO-OAQYLSRUSA-N 0 0 326.805 1.544 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H](CCCO)c2ccccc2)C1 ZINC000077879901 534659939 /nfs/dbraw/zinc/65/99/39/534659939.db2.gz YIVRMNHNTPWFAB-DLBZAZTESA-N 0 0 333.432 1.810 10 0 EDAERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000333443941 534676568 /nfs/dbraw/zinc/67/65/68/534676568.db2.gz QFTVKNRGHGUYLC-CHWSQXEVSA-N 0 0 347.419 1.133 10 0 EDAERN [NH3+][C@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC000147469555 534729861 /nfs/dbraw/zinc/72/98/61/534729861.db2.gz IMQSRJVUZOXTEZ-VIFPVBQESA-N 0 0 328.166 1.712 10 0 EDAERN Nc1ncc(Br)cc1S(=O)(=O)NCc1cncs1 ZINC000169030987 534747754 /nfs/dbraw/zinc/74/77/54/534747754.db2.gz TUAZVFVWYOJRGJ-UHFFFAOYSA-N 0 0 349.235 1.361 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000182979132 534779335 /nfs/dbraw/zinc/77/93/35/534779335.db2.gz QCRVQKAGGUXMGY-ZDUSSCGKSA-N 0 0 349.412 1.774 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1 ZINC000190294421 526711097 /nfs/dbraw/zinc/71/10/97/526711097.db2.gz RJRSIQCTANRLEZ-CYBMUJFWSA-N 0 0 334.395 1.324 10 0 EDAERN CC(C)(C)[C@H]1NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168908206 526738490 /nfs/dbraw/zinc/73/84/90/526738490.db2.gz HFVAKDZFFPOISL-LBPRGKRZSA-N 0 0 340.221 1.717 10 0 EDAERN CC1(C)NC(=O)C(C)(C)N(Cc2ccc(Br)cn2)C1=O ZINC000168887571 527780410 /nfs/dbraw/zinc/78/04/10/527780410.db2.gz KHHXUXVLCQXWEU-UHFFFAOYSA-N 0 0 340.221 1.860 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 ZINC000174679671 527983320 /nfs/dbraw/zinc/98/33/20/527983320.db2.gz NTVAMYHJQWUPBG-UHFFFAOYSA-N 0 0 330.388 1.194 10 0 EDAERN CCCC1(CNC(=O)N2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000154187874 528048337 /nfs/dbraw/zinc/04/83/37/528048337.db2.gz RDMKCJZMLWITTP-UHFFFAOYSA-N 0 0 343.435 1.536 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](n3cncn3)C2)c1C ZINC000171665333 528119979 /nfs/dbraw/zinc/11/99/79/528119979.db2.gz TZYFVOIZGNGTGR-ZDUSSCGKSA-N 0 0 345.403 1.877 10 0 EDAERN CC(C)c1ccccc1OC[C@@H](O)CN1CC(NC(=O)C2CC2)C1 ZINC000187981826 528205286 /nfs/dbraw/zinc/20/52/86/528205286.db2.gz DUEJDGSBKXQINJ-INIZCTEOSA-N 0 0 332.444 1.760 10 0 EDAERN CCNC(=O)[C@H](C)NCc1cc(Br)cc2c1OCC2 ZINC000167823306 528221423 /nfs/dbraw/zinc/22/14/23/528221423.db2.gz SEVHWFDOBLTVQG-VIFPVBQESA-N 0 0 327.222 1.998 10 0 EDAERN CCOC(=O)c1cn(C)nc1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000184028959 528281537 /nfs/dbraw/zinc/28/15/37/528281537.db2.gz MDXRCWARLKCRFU-NSHDSACASA-N 0 0 346.391 1.352 10 0 EDAERN CC(C)c1nn(C)c(Cl)c1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174286815 528387917 /nfs/dbraw/zinc/38/79/17/528387917.db2.gz XGTSHQNSRVJANP-NWDGAFQWSA-N 0 0 342.871 1.724 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](Nc1ncc(C(N)=O)cc1Cl)CC2 ZINC000171363761 528477338 /nfs/dbraw/zinc/47/73/38/528477338.db2.gz DJNWKOAXKFXQHX-JTQLQIEISA-N 0 0 334.811 1.976 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000184217511 528482613 /nfs/dbraw/zinc/48/26/13/528482613.db2.gz QDMGXOGJBDQASR-KRWDZBQOSA-N 0 0 346.475 1.799 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000181293512 528577995 /nfs/dbraw/zinc/57/79/95/528577995.db2.gz HHUCWNMGBZIPKJ-GFCCVEGCSA-N 0 0 336.417 1.392 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N1CCCc2ccccc21 ZINC000176573051 528702863 /nfs/dbraw/zinc/70/28/63/528702863.db2.gz NETLMRCCYDWWIU-XMMPIXPASA-N 0 0 347.444 1.482 10 0 EDAERN CC(C)Cn1ncnc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181560215 528763566 /nfs/dbraw/zinc/76/35/66/528763566.db2.gz IBYXBRIGUHVVCU-GFCCVEGCSA-N 0 0 337.449 1.432 10 0 EDAERN CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000190039183 529155928 /nfs/dbraw/zinc/15/59/28/529155928.db2.gz KBRVTSXIYKLMOE-DOMZBBRYSA-N 0 0 325.430 1.912 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000181733644 529226664 /nfs/dbraw/zinc/22/66/64/529226664.db2.gz OYNSZASZZVVEJC-JKSUJKDBSA-N 0 0 347.459 1.651 10 0 EDAERN CC(C)c1nnc2n1CCN(C(=O)c1cnc3n[nH]nc3c1)[C@H]2C ZINC000333007295 535018604 /nfs/dbraw/zinc/01/86/04/535018604.db2.gz AJRPGCFSLRAAIA-VIFPVBQESA-N 0 0 326.364 1.285 10 0 EDAERN CCCOc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000052311638 535260195 /nfs/dbraw/zinc/26/01/95/535260195.db2.gz ROLKSPGVOZGJDH-QGZVFWFLSA-N 0 0 347.459 1.644 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2F)C[C@H]1C ZINC000247093394 535606829 /nfs/dbraw/zinc/60/68/29/535606829.db2.gz MCSYNEFQPKOMCB-CYBMUJFWSA-N 0 0 330.425 1.557 10 0 EDAERN CCO[C@H](CNC(=O)N1CCN(C[C@H](O)CC)CC1)c1ccccc1 ZINC000195175993 535614498 /nfs/dbraw/zinc/61/44/98/535614498.db2.gz XIZSIANYLKCUTB-QZTJIDSGSA-N 0 0 349.475 1.862 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(OC)nc1)CC2 ZINC000114919264 536164392 /nfs/dbraw/zinc/16/43/92/536164392.db2.gz UJAFYXNSUFBJHQ-GFCCVEGCSA-N 0 0 330.392 1.058 10 0 EDAERN CN[C@H](C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1)c1cnn(C)c1 ZINC000262225937 536386360 /nfs/dbraw/zinc/38/63/60/536386360.db2.gz PQTKSLDRAPRLPZ-ZBFHGGJFSA-N 0 0 330.436 1.132 10 0 EDAERN COCCN1CCN(CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC000247031137 536873251 /nfs/dbraw/zinc/87/32/51/536873251.db2.gz DEHQFYYGOTZYBC-ZIAGYGMSSA-N 0 0 325.478 1.578 10 0 EDAERN COc1cccc2c1OC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)C2 ZINC000081492265 536964374 /nfs/dbraw/zinc/96/43/74/536964374.db2.gz TXIUFAOIVZIXQC-RBSFLKMASA-N 0 0 334.416 1.849 10 0 EDAERN COc1ccc(-c2c(N)[nH]c(N3CCOCC3)nc2=O)cc1OC ZINC000757180109 579965387 /nfs/dbraw/zinc/96/53/87/579965387.db2.gz UPTCYFDDTSQDHE-UHFFFAOYSA-N 0 0 332.360 1.285 10 0 EDAERN Cn1ccnc1[C@@H]1CCN(C(=O)c2c[nH]nc2C2CCOCC2)C1 ZINC000888076102 590929784 /nfs/dbraw/zinc/92/97/84/590929784.db2.gz ZGLZHQJQAQVJPX-CYBMUJFWSA-N 0 0 329.404 1.667 10 0 EDAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)NC(C2CC2)C2CC2)CCC(=O)N1C ZINC000888076312 590930288 /nfs/dbraw/zinc/93/02/88/590930288.db2.gz YEVSXPAKWLGWMF-BBRMVZONSA-N 0 0 330.432 1.634 10 0 EDAERN COc1nc(C)ccc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888095118 591025388 /nfs/dbraw/zinc/02/53/88/591025388.db2.gz QDGYBCDVIORUEG-LSDHHAIUSA-N 0 0 330.388 1.862 10 0 EDAERN CN(Cc1ccc[nH]1)C(=O)[C@H]1CC[C@@H](C(N)=O)N1Cc1ccccc1 ZINC000888095621 591026019 /nfs/dbraw/zinc/02/60/19/591026019.db2.gz VGEJMUYTHRNKOO-DLBZAZTESA-N 0 0 340.427 1.492 10 0 EDAERN C[C@H](O)c1cccc(N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1 ZINC000893804066 591105476 /nfs/dbraw/zinc/10/54/76/591105476.db2.gz OVRXPBSKHKLTQV-UCMVZMLTSA-N 0 0 341.415 1.785 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@H](O)c2cc3ccccc3s2)C1 ZINC000150729878 593097304 /nfs/dbraw/zinc/09/73/04/593097304.db2.gz DXNGSUYKQUXJLM-KGLIPLIRSA-N 0 0 349.456 1.565 10 0 EDAERN Cc1cnc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)nc1C ZINC000818147100 593675049 /nfs/dbraw/zinc/67/50/49/593675049.db2.gz VMAMFXCZOPWULH-QGZVFWFLSA-N 0 0 329.404 1.928 10 0 EDAERN COc1nccnc1CN1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818190922 593680149 /nfs/dbraw/zinc/68/01/49/593680149.db2.gz LDRXXVZIWOFHRD-QGZVFWFLSA-N 0 0 345.403 1.315 10 0 EDAERN Cn1c(Cl)cnc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820398 595466971 /nfs/dbraw/zinc/46/69/71/595466971.db2.gz GBZVUTUWLJOZCM-OAHLLOKOSA-N 0 0 334.851 1.925 10 0 EDAERN COC(=O)N[C@@H](C(=O)Nc1ccc(Cn2cncn2)cc1)C(C)C ZINC000108156792 595475386 /nfs/dbraw/zinc/47/53/86/595475386.db2.gz PUPDHDQMDHMZJC-CQSZACIVSA-N 0 0 331.376 1.646 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@@H]1C ZINC000117277320 595605429 /nfs/dbraw/zinc/60/54/29/595605429.db2.gz RLGBEKARTVECBH-HNNXBMFYSA-N 0 0 343.431 1.450 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc2nncn2c1 ZINC000858008031 595684919 /nfs/dbraw/zinc/68/49/19/595684919.db2.gz HIFBJRRGDOCNFA-SWLSCSKDSA-N 0 0 340.387 1.361 10 0 EDAERN COCC[C@H](C)NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117042477 596228752 /nfs/dbraw/zinc/22/87/52/596228752.db2.gz REVFKJAAKBDOBE-DOTOQJQBSA-N 0 0 335.448 1.472 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)CCN1C[C@@H](C)O ZINC000122769829 596640579 /nfs/dbraw/zinc/64/05/79/596640579.db2.gz CWOJKDUYOKVJRE-NEPJUHHUSA-N 0 0 347.868 1.201 10 0 EDAERN C[C@@H](NC(=O)Nc1ccc(F)nc1)c1ccc(S(N)(=O)=O)cc1 ZINC000126222225 597372132 /nfs/dbraw/zinc/37/21/32/597372132.db2.gz GWJPNGPVJDOCLI-SECBINFHSA-N 0 0 338.364 1.751 10 0 EDAERN CCN(CCS(C)(=O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000126896007 597577712 /nfs/dbraw/zinc/57/77/12/597577712.db2.gz PTRRSDNRSOFTJW-UHFFFAOYSA-N 0 0 328.478 1.887 10 0 EDAERN CC(C)n1nnnc1CN1C(=O)N[C@](C)(c2cccnc2Cl)C1=O ZINC000127357890 597717778 /nfs/dbraw/zinc/71/77/78/597717778.db2.gz HQUJGQAGDIRNEH-CQSZACIVSA-N 0 0 349.782 1.270 10 0 EDAERN Cc1cc(C)n(-c2nnc(SCc3nnc(C4CC4)n3C)n2N)n1 ZINC000130590545 598117714 /nfs/dbraw/zinc/11/77/14/598117714.db2.gz AISGLOPIBZGFIR-UHFFFAOYSA-N 0 0 345.436 1.093 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCc3ccnn3C)C2)no1 ZINC000185024060 698813990 /nfs/dbraw/zinc/81/39/90/698813990.db2.gz NERYHCFOMICQKC-CYBMUJFWSA-N 0 0 332.408 1.318 10 0 EDAERN C[C@H](N[C@H](CO)c1ccccc1)C(=O)Nc1sccc1C(N)=O ZINC000183650451 702244840 /nfs/dbraw/zinc/24/48/40/702244840.db2.gz AKHWWGAUCVIKSY-GXFFZTMASA-N 0 0 333.413 1.497 10 0 EDAERN Cc1nc(S(=O)(=O)N[C@@H](C(N)=S)C2CCCCC2)cn1C ZINC000050253968 214052307 /nfs/dbraw/zinc/05/23/07/214052307.db2.gz WETKLKUOFRNEBG-GFCCVEGCSA-N 0 0 330.479 1.242 10 0 EDAERN Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(Cl)n1 ZINC000051073545 214077167 /nfs/dbraw/zinc/07/71/67/214077167.db2.gz AEPPOFLEVLLGQC-UHFFFAOYSA-N 0 0 325.777 1.943 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000188481240 282104986 /nfs/dbraw/zinc/10/49/86/282104986.db2.gz QVDGXSROKJYPRX-SECBINFHSA-N 0 0 340.309 1.969 10 0 EDAERN Cc1cc(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)[nH]1 ZINC000062576693 214723407 /nfs/dbraw/zinc/72/34/07/214723407.db2.gz SPPDBZRSFVHHKU-UHFFFAOYSA-N 0 0 333.413 1.647 10 0 EDAERN Cc1nc(-c2cc(Br)c3c(c2)OCCO3)c(N)n1N ZINC000052838561 214150576 /nfs/dbraw/zinc/15/05/76/214150576.db2.gz BRFOXGGASFPMIX-UHFFFAOYSA-N 0 0 325.166 1.688 10 0 EDAERN C[C@@H](CN1C(=O)c2ccc(Br)cc2C1=O)C(N)=S ZINC000054154617 214220249 /nfs/dbraw/zinc/22/02/49/214220249.db2.gz KRNSQSHPGOECMK-LURJTMIESA-N 0 0 327.203 1.967 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000173268456 230907722 /nfs/dbraw/zinc/90/77/22/230907722.db2.gz KPRQWUQSIOSQOX-SNVBAGLBSA-N 0 0 333.314 1.530 10 0 EDAERN Nc1nc(C(=O)Nc2c3nsnc3c(Cl)cc2Cl)n[nH]1 ZINC000055166135 214281503 /nfs/dbraw/zinc/28/15/03/214281503.db2.gz MVWDBLBKVMKVRI-UHFFFAOYSA-N 0 0 330.160 1.951 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)[nH]1 ZINC000173684656 231004923 /nfs/dbraw/zinc/00/49/23/231004923.db2.gz OHIYUTFSFFMULP-LLVKDONJSA-N 0 0 332.389 1.798 10 0 EDAERN O[C@H](c1cc2c(cc1Br)OCCO2)[C@@H]1COCCO1 ZINC000055303419 214303623 /nfs/dbraw/zinc/30/36/23/214303623.db2.gz PLOVNZPVTZYUHQ-QWHCGFSZSA-N 0 0 331.162 1.669 10 0 EDAERN Cc1ccc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000173994044 231093674 /nfs/dbraw/zinc/09/36/74/231093674.db2.gz NCCKWOFQHBXTAQ-CQSZACIVSA-N 0 0 337.851 1.993 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)s1 ZINC000173999348 231095641 /nfs/dbraw/zinc/09/56/41/231095641.db2.gz FAGBGYPPFWMZFU-CYBMUJFWSA-N 0 0 330.475 1.460 10 0 EDAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174009179 231097686 /nfs/dbraw/zinc/09/76/86/231097686.db2.gz HTFVATGZZOBKHC-HNNXBMFYSA-N 0 0 342.399 1.040 10 0 EDAERN Cc1c(O)ccc2c(C[N@@H+]3CC[C@H](N4CCOCC4)C3)cc(=O)oc12 ZINC000173983025 231089036 /nfs/dbraw/zinc/08/90/36/231089036.db2.gz LQACJODGNCOFNZ-HNNXBMFYSA-N 0 0 344.411 1.714 10 0 EDAERN CS(=O)(=O)c1cc(N)cc(C(=O)NCCc2nccs2)c1 ZINC000063132341 214744962 /nfs/dbraw/zinc/74/49/62/214744962.db2.gz LQCJYSSHCKHTGS-UHFFFAOYSA-N 0 0 325.415 1.101 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccccc1Br ZINC000174421594 231204166 /nfs/dbraw/zinc/20/41/66/231204166.db2.gz VIIVQEWJKWPIAG-MFKMUULPSA-N 0 0 327.222 1.957 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173696209 529589258 /nfs/dbraw/zinc/58/92/58/529589258.db2.gz RZNQBISDJJUFGK-CQSZACIVSA-N 0 0 327.388 1.643 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193491792 282211059 /nfs/dbraw/zinc/21/10/59/282211059.db2.gz PNLDZNAVSBDSMT-ZDUSSCGKSA-N 0 0 347.806 1.870 10 0 EDAERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2S(C)(=O)=O)cc1 ZINC000049676777 214026449 /nfs/dbraw/zinc/02/64/49/214026449.db2.gz YXJUDEMFSRRWEJ-ZDUSSCGKSA-N 0 0 338.429 1.873 10 0 EDAERN Cc1nc(-c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cs1 ZINC000049658674 214025267 /nfs/dbraw/zinc/02/52/67/214025267.db2.gz WOLJNPQLBUQBDI-VIFPVBQESA-N 0 0 326.399 1.628 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3c[nH]nc3-c3cccnc3)CCO2)[nH]1 ZINC000129128938 529699857 /nfs/dbraw/zinc/69/98/57/529699857.db2.gz PXJNFSWJEXDMIZ-AWEZNQCLSA-N 0 0 339.403 1.726 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CCO4)CCO2)[nH]1 ZINC000178066117 529699927 /nfs/dbraw/zinc/69/99/27/529699927.db2.gz SPSIWRFMCPXPHO-AWEZNQCLSA-N 0 0 343.387 1.907 10 0 EDAERN COc1ccc(-c2noc(CC(=O)N3CCOCC3(C)C)n2)cc1 ZINC000062126363 214701237 /nfs/dbraw/zinc/70/12/37/214701237.db2.gz JNCLGSUZIZIQRB-UHFFFAOYSA-N 0 0 331.372 1.925 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc2c1oc(=O)n2C ZINC000132488151 529750692 /nfs/dbraw/zinc/75/06/92/529750692.db2.gz FHAUELCUBNFJIS-LLVKDONJSA-N 0 0 341.371 1.550 10 0 EDAERN CN(C(=O)/C=C/c1cc2ccccc2[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000062089245 214698168 /nfs/dbraw/zinc/69/81/68/214698168.db2.gz XXBVVPHICBGIFJ-UZYOAWRESA-N 0 0 346.408 1.187 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC000178112653 529760786 /nfs/dbraw/zinc/76/07/86/529760786.db2.gz KVDBTGCVMZQDOD-HNNXBMFYSA-N 0 0 341.415 1.434 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173695977 529795347 /nfs/dbraw/zinc/79/53/47/529795347.db2.gz JELNUZJQEAQKBR-ZDUSSCGKSA-N 0 0 342.403 1.146 10 0 EDAERN CC(C)(CO)NC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000049382393 214003873 /nfs/dbraw/zinc/00/38/73/214003873.db2.gz YXMCVXGCYJPLIL-UHFFFAOYSA-N 0 0 325.796 1.469 10 0 EDAERN CN1CCc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3CO)cc21 ZINC000180671124 529813041 /nfs/dbraw/zinc/81/30/41/529813041.db2.gz ZDTDDBKCXZALSS-HIFRSBDPSA-N 0 0 331.416 1.285 10 0 EDAERN CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000174720004 529877918 /nfs/dbraw/zinc/87/79/18/529877918.db2.gz FGOHLYOVGCELSX-HIFRSBDPSA-N 0 0 343.387 1.131 10 0 EDAERN CS(=O)(=O)c1ccc(N2CCOCC2=O)c(Br)c1 ZINC000725244221 539382937 /nfs/dbraw/zinc/38/29/37/539382937.db2.gz KSVNWJQAIHOBDT-UHFFFAOYSA-N 0 0 334.191 1.216 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000101528182 219132161 /nfs/dbraw/zinc/13/21/61/219132161.db2.gz LEUAOIGJOVQJHA-ZDUSSCGKSA-N 0 0 344.415 1.237 10 0 EDAERN CN1CCCN(C)[C@H](c2nsc(I)n2)C1 ZINC000166071581 530053736 /nfs/dbraw/zinc/05/37/36/530053736.db2.gz TXXQGOVPQMSFFS-ZETCQYMHSA-N 0 0 338.218 1.451 10 0 EDAERN COc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C)on2)cc1OC ZINC000048004310 213880948 /nfs/dbraw/zinc/88/09/48/213880948.db2.gz WOZZQTYZRLHJBB-JTQLQIEISA-N 0 0 333.344 1.816 10 0 EDAERN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N1CCN2CCC[C@@H]2C1 ZINC000178375547 232149712 /nfs/dbraw/zinc/14/97/12/232149712.db2.gz QWAZASDWMQBRED-CQSZACIVSA-N 0 0 335.429 1.328 10 0 EDAERN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N[C@@H]1CCCn2ncnc21 ZINC000178386648 232152292 /nfs/dbraw/zinc/15/22/92/232152292.db2.gz NHBIEDARQVUACG-GFCCVEGCSA-N 0 0 347.400 1.265 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000179970447 539478260 /nfs/dbraw/zinc/47/82/60/539478260.db2.gz XVXDZAOZUTTWPW-JSGCOSHPSA-N 0 0 328.372 1.495 10 0 EDAERN CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000685940310 539578159 /nfs/dbraw/zinc/57/81/59/539578159.db2.gz CWONKXYEMZGHSE-UONOGXRCSA-N 0 0 336.436 1.392 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)N(C)C ZINC000043727791 213595558 /nfs/dbraw/zinc/59/55/58/213595558.db2.gz HHWSGJZLCBCDKV-CQSZACIVSA-N 0 0 339.823 1.299 10 0 EDAERN CC(C)N(CCC(N)=S)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000042528637 213510574 /nfs/dbraw/zinc/51/05/74/213510574.db2.gz WFFHBNVGVUEZSO-UHFFFAOYSA-N 0 0 328.459 1.617 10 0 EDAERN COc1cccc(-c2ncc(CN3CC[C@@]([NH3+])(C(=O)[O-])C3)s2)c1 ZINC000067886300 215242478 /nfs/dbraw/zinc/24/24/78/215242478.db2.gz HKGZYJZUJRPIDF-INIZCTEOSA-N 0 0 333.413 1.807 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000103389277 219296185 /nfs/dbraw/zinc/29/61/85/219296185.db2.gz KRWYBODYQITUTF-INIZCTEOSA-N 0 0 332.444 1.963 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(F)ccc3O)C2=O)n(C)n1 ZINC000179658398 233287922 /nfs/dbraw/zinc/28/79/22/233287922.db2.gz XGMSSQTTXGTGIU-ZDUSSCGKSA-N 0 0 346.362 1.499 10 0 EDAERN CCCN[C@](C)(C[C@@H](C)SCCS(C)(=O)=O)C(=O)OCC ZINC000068643636 215324985 /nfs/dbraw/zinc/32/49/85/215324985.db2.gz UNCUFKQHNFZLDW-TZMCWYRMSA-N 0 0 339.523 1.864 10 0 EDAERN O=S(=O)(N1CCNCC1)N1CCc2sccc2[C@@H]1C1CC1 ZINC000040860151 213393079 /nfs/dbraw/zinc/39/30/79/213393079.db2.gz FJZDPROBGCYRAT-AWEZNQCLSA-N 0 0 327.475 1.207 10 0 EDAERN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(=O)[nH]c1 ZINC000040829633 213391832 /nfs/dbraw/zinc/39/18/32/213391832.db2.gz XKLFUQKMVQGZRP-UHFFFAOYSA-N 0 0 327.793 1.895 10 0 EDAERN O=S1(=O)CCC[C@@H](Nc2cccc(Cl)c2-n2cncn2)C1 ZINC000069136454 215363610 /nfs/dbraw/zinc/36/36/10/215363610.db2.gz JNYAQEUWIICUQY-SNVBAGLBSA-N 0 0 326.809 1.910 10 0 EDAERN COCCNC(=O)Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1 ZINC000040655002 213365520 /nfs/dbraw/zinc/36/55/20/213365520.db2.gz PWLJTMTZSHFGOJ-UHFFFAOYSA-N 0 0 347.824 1.648 10 0 EDAERN CCS(=O)(=O)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 ZINC000040562714 213351376 /nfs/dbraw/zinc/35/13/76/213351376.db2.gz RXOGICGYVBMJQU-UHFFFAOYSA-N 0 0 342.730 1.841 10 0 EDAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000182508817 234646997 /nfs/dbraw/zinc/64/69/97/234646997.db2.gz VJGJQMHBFXDYGI-NSHDSACASA-N 0 0 348.428 1.975 10 0 EDAERN COCCN(C(C)=O)c1nc(CN[C@@H](C)[C@@H]2CCCO2)cs1 ZINC000183155022 234926315 /nfs/dbraw/zinc/92/63/15/234926315.db2.gz AVUQYPOFWNYNQX-FZMZJTMJSA-N 0 0 327.450 1.800 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)o1 ZINC000183287684 234990625 /nfs/dbraw/zinc/99/06/25/234990625.db2.gz YDLKBOFUGRMAQA-BXUZGUMPSA-N 0 0 328.434 1.238 10 0 EDAERN CCCC(=O)Nc1cccc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178423249 540110006 /nfs/dbraw/zinc/11/00/06/540110006.db2.gz VVXVKCMXTFMDBD-MRXNPFEDSA-N 0 0 348.447 1.995 10 0 EDAERN Cc1cc(C)c(NC(=O)CCCN2CCOC[C@H]2C(N)=O)c(C)c1 ZINC000179739090 540119125 /nfs/dbraw/zinc/11/91/25/540119125.db2.gz TULVUOCDBDFOIZ-HNNXBMFYSA-N 0 0 333.432 1.517 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000186082125 540150324 /nfs/dbraw/zinc/15/03/24/540150324.db2.gz GMXLWQVIMOWOKJ-ROUUACIJSA-N 0 0 332.444 1.303 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000189027897 540162848 /nfs/dbraw/zinc/16/28/48/540162848.db2.gz DPEWHFCBKBZHTE-CMPLNLGQSA-N 0 0 338.433 1.530 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)CCc3c[nH]cn3)CC2)n1 ZINC000189347900 540164475 /nfs/dbraw/zinc/16/44/75/540164475.db2.gz BZFBCZTWKUBZMM-UHFFFAOYSA-N 0 0 344.419 1.188 10 0 EDAERN CCOc1cnc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000189643390 540166012 /nfs/dbraw/zinc/16/60/12/540166012.db2.gz IOAMJXLXYCNCPW-GFCCVEGCSA-N 0 0 328.376 1.064 10 0 EDAERN COCCN1CCN(C(=O)c2ncc(Br)s2)C[C@H]1C ZINC000192425349 540178483 /nfs/dbraw/zinc/17/84/83/540178483.db2.gz MNPQHYJSOGARLB-SECBINFHSA-N 0 0 348.266 1.698 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000191929350 540176578 /nfs/dbraw/zinc/17/65/78/540176578.db2.gz UYBQLBHHSGHMRL-ZIAGYGMSSA-N 0 0 342.399 1.755 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ncc(Br)s1 ZINC000192433300 540178405 /nfs/dbraw/zinc/17/84/05/540178405.db2.gz IKKDTUHRYFRPHO-ZCFIWIBFSA-N 0 0 328.195 1.762 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)c3c(C)nn(C)c3C)C2)c1 ZINC000105858414 219562912 /nfs/dbraw/zinc/56/29/12/219562912.db2.gz LUQNOFLWMDOMTO-AWEZNQCLSA-N 0 0 329.404 1.588 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[S@@](=O)C(C)(C)C ZINC000087106824 138271494 /nfs/dbraw/zinc/27/14/94/138271494.db2.gz HWWQCOSOBQELPF-RULNZOCKSA-N 0 0 341.481 1.522 10 0 EDAERN Cc1cc(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c2c(=O)[nH]n(C)c2n1 ZINC000081450994 138266738 /nfs/dbraw/zinc/26/67/38/138266738.db2.gz HGXOTWCBQYYIHP-SNVBAGLBSA-N 0 0 348.403 1.372 10 0 EDAERN Cc1nnnn1-c1cc(NC(=O)N[C@H]2CCCC[C@H]2CO)ccc1F ZINC000081624164 138267315 /nfs/dbraw/zinc/26/73/15/138267315.db2.gz OPZCVPIULNILMV-FZMZJTMJSA-N 0 0 348.382 1.782 10 0 EDAERN COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038008839 213188903 /nfs/dbraw/zinc/18/89/03/213188903.db2.gz AGWLDOIHABCFPH-UHFFFAOYSA-N 0 0 328.781 1.830 10 0 EDAERN CC(=O)c1c[nH]c(C(=O)N2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000105812326 138301891 /nfs/dbraw/zinc/30/18/91/138301891.db2.gz VUVPFKLCCNKASO-UHFFFAOYSA-N 0 0 327.388 1.668 10 0 EDAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCC(CC)CC2)C1 ZINC000092466424 138288891 /nfs/dbraw/zinc/28/88/91/138288891.db2.gz HANJKUMLTSWMIX-JXQTWKCFSA-N 0 0 331.482 1.678 10 0 EDAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3cccn3C)CC2)n1 ZINC000093273396 138292972 /nfs/dbraw/zinc/29/29/72/138292972.db2.gz XIXIEJJYGLUFKD-UHFFFAOYSA-N 0 0 325.420 1.332 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000118080178 138312574 /nfs/dbraw/zinc/31/25/74/138312574.db2.gz WRSLBEYUCANDGC-IXDOHACOSA-N 0 0 349.479 1.475 10 0 EDAERN C[C@@H]1CCCCN1C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917571 138302885 /nfs/dbraw/zinc/30/28/85/138302885.db2.gz MLIYPLVOTVLIFR-MRXNPFEDSA-N 0 0 333.480 1.329 10 0 EDAERN COc1cc(Br)ccc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000111160260 138307852 /nfs/dbraw/zinc/30/78/52/138307852.db2.gz JFEZUELVEBQWMI-LLVKDONJSA-N 0 0 343.221 1.518 10 0 EDAERN O=C(CN1CCC(Nc2cccnn2)CC1)NCc1cccnc1 ZINC000111227401 138307983 /nfs/dbraw/zinc/30/79/83/138307983.db2.gz GFFUPRGMZGXABF-UHFFFAOYSA-N 0 0 326.404 1.064 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCC(=O)c1cccs1)CC2 ZINC000114867793 138310646 /nfs/dbraw/zinc/31/06/46/138310646.db2.gz RURSZNLPNSVTDB-LLVKDONJSA-N 0 0 332.429 1.996 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1ccccc1F)CC2 ZINC000114978009 138311116 /nfs/dbraw/zinc/31/11/16/138311116.db2.gz MMMNDKWAVIPSEL-FZMZJTMJSA-N 0 0 347.394 1.327 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N1CCC(CO)CC1 ZINC000037929333 213174006 /nfs/dbraw/zinc/17/40/06/213174006.db2.gz VCDIQSTYXGWJHC-UHFFFAOYSA-N 0 0 349.250 1.424 10 0 EDAERN Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133598087 138395718 /nfs/dbraw/zinc/39/57/18/138395718.db2.gz VGRSFUDUUQSACO-JTQLQIEISA-N 0 0 336.827 1.842 10 0 EDAERN CS(=O)(=O)CCNc1ccc(I)cc1 ZINC000037491513 213149280 /nfs/dbraw/zinc/14/92/80/213149280.db2.gz XHJNMHASOWQLCJ-UHFFFAOYSA-N 0 0 325.171 1.748 10 0 EDAERN O=C(Nc1ccc(F)cc1Br)c1c[nH]c(=O)[nH]c1=O ZINC000037011355 213129682 /nfs/dbraw/zinc/12/96/82/213129682.db2.gz RDMYMINICONJOL-UHFFFAOYSA-N 0 0 328.097 1.217 10 0 EDAERN CCOc1ccnc(N2CCN([C@H](C)C(=O)NC(CC)CC)CC2)n1 ZINC000106152391 219616948 /nfs/dbraw/zinc/61/69/48/219616948.db2.gz BCGDRMKKXKAZIB-CQSZACIVSA-N 0 0 349.479 1.691 10 0 EDAERN Cc1cccnc1CNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152917861 138485588 /nfs/dbraw/zinc/48/55/88/138485588.db2.gz FEPKTQJKZNNHSH-OAHLLOKOSA-N 0 0 340.431 1.990 10 0 EDAERN C[C@H](NC(=O)NC[C@](C)(O)c1ccsc1)c1nnc2n1CCCC2 ZINC000153161660 138490857 /nfs/dbraw/zinc/49/08/57/138490857.db2.gz NDBOFIDZMHTWGA-ZBEGNZNMSA-N 0 0 349.460 1.944 10 0 EDAERN O=C(N1CCOCC1)N1CC(=O)N2CCc3ccc(Cl)cc3[C@H]2C1 ZINC000036138289 213073110 /nfs/dbraw/zinc/07/31/10/213073110.db2.gz BALZTFFKUNZROM-OAHLLOKOSA-N 0 0 349.818 1.534 10 0 EDAERN C[C@H](NC(=O)N1CCC([C@@H]2CCCO2)CC1)C(=O)N1CCCCC1 ZINC000187458692 236216197 /nfs/dbraw/zinc/21/61/97/236216197.db2.gz NPVRURSRRVERCX-HOCLYGCPSA-N 0 0 337.464 1.988 10 0 EDAERN Cc1ccc(C(=O)N2CCOCC2(C)C)cc1S(=O)(=O)N(C)C ZINC000036102032 213067445 /nfs/dbraw/zinc/06/74/45/213067445.db2.gz OLOJJIQQJPMYKO-UHFFFAOYSA-N 0 0 340.445 1.496 10 0 EDAERN CCc1noc(CC)c1CC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000155409609 138537086 /nfs/dbraw/zinc/53/70/86/138537086.db2.gz WEMJWPQCNJREDI-CYBMUJFWSA-N 0 0 347.419 1.731 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)c(F)c2)ncn1 ZINC000156776677 138563876 /nfs/dbraw/zinc/56/38/76/138563876.db2.gz UWNOCWVCHYCWQH-QMMMGPOBSA-N 0 0 336.298 1.579 10 0 EDAERN NC(=S)c1cc(S(=O)(=O)NCc2nccs2)ccc1F ZINC000071247395 215746280 /nfs/dbraw/zinc/74/62/80/215746280.db2.gz GTEQBAGCZHYLCO-UHFFFAOYSA-N 0 0 331.419 1.395 10 0 EDAERN C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cnc1N ZINC000071211327 215745339 /nfs/dbraw/zinc/74/53/39/215745339.db2.gz XEZPRPACBPYSQU-VXNVDRBHSA-N 0 0 334.239 1.893 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccc(N4CCCC4)nc3)CCO2)[nH]1 ZINC000129146348 138624079 /nfs/dbraw/zinc/62/40/79/138624079.db2.gz ISPOGSXLABJBFX-HNNXBMFYSA-N 0 0 342.447 1.936 10 0 EDAERN O=C(c1ccccc1N1CCOCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000171580999 138657970 /nfs/dbraw/zinc/65/79/70/138657970.db2.gz LQLLWYOJWVVFMM-OAHLLOKOSA-N 0 0 341.415 1.592 10 0 EDAERN CS(=O)(=O)CCOCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000173372915 138670186 /nfs/dbraw/zinc/67/01/86/138670186.db2.gz DGXBGQZHCXMRHT-GFCCVEGCSA-N 0 0 330.406 1.187 10 0 EDAERN CCOc1ncnc2sc(C(=O)N3CCN(C(C)=O)CC3)c(C)c21 ZINC000071565819 215786321 /nfs/dbraw/zinc/78/63/21/215786321.db2.gz RTZSIZQVZBBTPX-UHFFFAOYSA-N 0 0 348.428 1.703 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)[nH]1 ZINC000173527214 138671234 /nfs/dbraw/zinc/67/12/34/138671234.db2.gz GIBQAOVGZWBTLE-LLVKDONJSA-N 0 0 334.380 1.152 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000174508364 138683855 /nfs/dbraw/zinc/68/38/55/138683855.db2.gz IHHRCPPPJCZGCJ-GXTWGEPZSA-N 0 0 346.431 1.712 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@@H](C)N1CCSCC1)c1ccccc1 ZINC000151267731 291153030 /nfs/dbraw/zinc/15/30/30/291153030.db2.gz XSKUCALNNWLJIN-HIFRSBDPSA-N 0 0 336.457 1.844 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000175802009 138700453 /nfs/dbraw/zinc/70/04/53/138700453.db2.gz KVJNXTVHNZUAON-NSHDSACASA-N 0 0 337.424 1.745 10 0 EDAERN CCOc1cccnc1C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000176353007 138707702 /nfs/dbraw/zinc/70/77/02/138707702.db2.gz RCHGKMMEJDGVHK-HNNXBMFYSA-N 0 0 344.415 1.835 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000177587335 138731511 /nfs/dbraw/zinc/73/15/11/138731511.db2.gz RWROEBKBOZFSLH-NSHDSACASA-N 0 0 331.438 1.388 10 0 EDAERN CCn1c(CCNC(=O)N2CC(NC(C)=O)C2)nc2ccccc21 ZINC000189958614 237439467 /nfs/dbraw/zinc/43/94/67/237439467.db2.gz JJWDPVNPIHVFOW-UHFFFAOYSA-N 0 0 329.404 1.129 10 0 EDAERN C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000193902366 237487068 /nfs/dbraw/zinc/48/70/68/237487068.db2.gz LWTGCFKVPXBSKW-XUJVJEKNSA-N 0 0 325.430 1.940 10 0 EDAERN COCCOC(=O)CCC(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000030831585 212710925 /nfs/dbraw/zinc/71/09/25/212710925.db2.gz WGQFWFIRGHFHJQ-UHFFFAOYSA-N 0 0 336.388 1.226 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000106809236 219698973 /nfs/dbraw/zinc/69/89/73/219698973.db2.gz FUITZJLHQXIUAV-SECBINFHSA-N 0 0 333.417 1.859 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000185083167 138800898 /nfs/dbraw/zinc/80/08/98/138800898.db2.gz VKEYGAQICRMYGF-CQSZACIVSA-N 0 0 346.387 1.707 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000185240352 138803187 /nfs/dbraw/zinc/80/31/87/138803187.db2.gz BAYUQHPTGVQRSF-UHFFFAOYSA-N 0 0 333.775 1.475 10 0 EDAERN CSc1nc2nnc(-c3ccnc(N4CCCC4)n3)c(C)n2n1 ZINC000072452499 216239314 /nfs/dbraw/zinc/23/93/14/216239314.db2.gz XPXILQPDXFFZEN-UHFFFAOYSA-N 0 0 328.405 1.607 10 0 EDAERN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CC(NC(C)=O)C1 ZINC000190152610 238253667 /nfs/dbraw/zinc/25/36/67/238253667.db2.gz XVDPIIMXCPRANN-BONVTDFDSA-N 0 0 339.823 1.946 10 0 EDAERN COc1cccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(C)c3nc2C)c1 ZINC000072451971 216239364 /nfs/dbraw/zinc/23/93/64/216239364.db2.gz PNJYHORPJMMQHO-UHFFFAOYSA-N 0 0 340.339 1.191 10 0 EDAERN O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1-c1ccccn1 ZINC000072452329 216239882 /nfs/dbraw/zinc/23/98/82/216239882.db2.gz KJGQUXADPRZSRW-UHFFFAOYSA-N 0 0 341.334 1.885 10 0 EDAERN CCc1ccccc1-n1ccc2c(nnc3c(C(=O)OC)cnn32)c1=O ZINC000072466110 216247398 /nfs/dbraw/zinc/24/73/98/216247398.db2.gz UEBFMWQMHFOXMR-UHFFFAOYSA-N 0 0 349.350 1.777 10 0 EDAERN O=C(Cc1cnc2ccccc2c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000130856398 223182169 /nfs/dbraw/zinc/18/21/69/223182169.db2.gz BUZITDLQNKMEFT-QGZVFWFLSA-N 0 0 336.395 1.901 10 0 EDAERN OC[C@@H](Nc1cc(N2CCC[C@H](CO)C2)ncn1)c1ccccc1 ZINC000131527505 223243915 /nfs/dbraw/zinc/24/39/15/223243915.db2.gz RDLQUZDVJCGPCN-GOEBONIOSA-N 0 0 328.416 1.831 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)C1 ZINC000188556367 138844822 /nfs/dbraw/zinc/84/48/22/138844822.db2.gz HVEJTTZTCCKRIO-MRVPVSSYSA-N 0 0 344.820 1.172 10 0 EDAERN CC(C)C[C@H](CCO)CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188880698 138854725 /nfs/dbraw/zinc/85/47/25/138854725.db2.gz QFQPGFONONYZOY-ZDUSSCGKSA-N 0 0 325.453 1.341 10 0 EDAERN CCOCCOCCN(C)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000189896737 138882521 /nfs/dbraw/zinc/88/25/21/138882521.db2.gz SSOCIXUNHYEFAO-ZDUSSCGKSA-N 0 0 339.440 1.370 10 0 EDAERN COc1ccccc1[C@@H]1C(C(N)=O)=C(C)Nc2nc(SC)nn21 ZINC000020413616 212126722 /nfs/dbraw/zinc/12/67/22/212126722.db2.gz AZQVQWDMCKSRTH-GFCCVEGCSA-N 0 0 331.401 1.783 10 0 EDAERN CCc1cc(C(=O)[O-])c(NC(=O)CN2CC[NH+](CC)CC2)s1 ZINC000020341759 212120738 /nfs/dbraw/zinc/12/07/38/212120738.db2.gz JCZCBUAUDKOECX-UHFFFAOYSA-N 0 0 325.434 1.585 10 0 EDAERN Cc1cc(C)c(S(=O)(=O)NCCCc2nnc(N)s2)c(C)c1 ZINC000020201331 212111148 /nfs/dbraw/zinc/11/11/48/212111148.db2.gz JCPZNVUNZWNXRQ-UHFFFAOYSA-N 0 0 340.474 1.957 10 0 EDAERN Nc1nnc(CCNC(=O)c2ccccc2Br)s1 ZINC000020201210 212110520 /nfs/dbraw/zinc/11/05/20/212110520.db2.gz MXTIMBJTMNRHDA-UHFFFAOYSA-N 0 0 327.207 1.855 10 0 EDAERN COCCOc1ccc(CC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000192114608 138936676 /nfs/dbraw/zinc/93/66/76/138936676.db2.gz ZEJQLDMSKUUUGL-INIZCTEOSA-N 0 0 344.415 1.710 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)c3cncc(Cl)n3)CC2)s1 ZINC000192348997 138942732 /nfs/dbraw/zinc/94/27/32/138942732.db2.gz QVLPPNKXEPSKOQ-UHFFFAOYSA-N 0 0 337.836 1.853 10 0 EDAERN CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(CC(=O)[O-])cc3)C2=O)CC1 ZINC000019766801 212063098 /nfs/dbraw/zinc/06/30/98/212063098.db2.gz UBOMXVHNHUVPQP-HNNXBMFYSA-N 0 0 330.384 1.678 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)C1 ZINC000193578776 138972737 /nfs/dbraw/zinc/97/27/37/138972737.db2.gz TZXUSLIIRLNHQV-DLBZAZTESA-N 0 0 343.427 1.418 10 0 EDAERN CCOC(=O)[C@H](NC(=O)CCn1cncn1)c1ccc(Cl)cc1 ZINC000194763544 139000063 /nfs/dbraw/zinc/00/00/63/139000063.db2.gz CSCZIPZLAVWMIW-CQSZACIVSA-N 0 0 336.779 1.742 10 0 EDAERN Nc1cc(S(=O)(=O)NCCN2CCCCC2)c(Cl)cc1F ZINC000049574498 214020356 /nfs/dbraw/zinc/02/03/56/214020356.db2.gz RYTGSJROGMDGCC-UHFFFAOYSA-N 0 0 335.832 1.826 10 0 EDAERN C[C@@H](Oc1c(Br)cccc1CO)C(=O)N1CCOCC1 ZINC000048797217 213965903 /nfs/dbraw/zinc/96/59/03/213965903.db2.gz HCPOXQVFMIMYIZ-SNVBAGLBSA-N 0 0 344.205 1.568 10 0 EDAERN Nc1ccc(NC(=O)CCCN2CCS(=O)CC2)c(Cl)c1 ZINC000049691269 214027317 /nfs/dbraw/zinc/02/73/17/214027317.db2.gz FBDFQSBORSWQQG-UHFFFAOYSA-N 0 0 329.853 1.705 10 0 EDAERN CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1nccn1CC ZINC000195519868 139019831 /nfs/dbraw/zinc/01/98/31/139019831.db2.gz JKMMTUYYZKGCBQ-KBPBESRZSA-N 0 0 341.477 1.997 10 0 EDAERN Cc1nnc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)o1 ZINC000049705293 214028120 /nfs/dbraw/zinc/02/81/20/214028120.db2.gz XNSPLRURWJGYQV-UHFFFAOYSA-N 0 0 334.763 1.630 10 0 EDAERN O=C(c1cccnc1)N1CCN(C(=O)c2ccc3ocnc3c2)CC1 ZINC000049719251 214029019 /nfs/dbraw/zinc/02/90/19/214029019.db2.gz GPVQDGHRGNLCHI-UHFFFAOYSA-N 0 0 336.351 1.821 10 0 EDAERN COCCCN(CCOC)c1ncc(Br)cc1CO ZINC000050043218 214041760 /nfs/dbraw/zinc/04/17/60/214041760.db2.gz IIBWNOSYSDWPLY-UHFFFAOYSA-N 0 0 333.226 1.826 10 0 EDAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000060730137 284296478 /nfs/dbraw/zinc/29/64/78/284296478.db2.gz NLNQMEYAHXMNGM-HNNXBMFYSA-N 0 0 349.350 1.456 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)[C@H](NC(=O)OC)C(C)C)C1 ZINC000110751475 220063401 /nfs/dbraw/zinc/06/34/01/220063401.db2.gz LQHFEYFOOGUUQS-QWHCGFSZSA-N 0 0 337.424 1.385 10 0 EDAERN Cc1c([C@@H](C)NC(=O)[C@@H]2COCCN2)cnn1-c1ccc(F)cc1 ZINC000237366008 139049382 /nfs/dbraw/zinc/04/93/82/139049382.db2.gz GHEJBCUHCUEIQH-BZNIZROVSA-N 0 0 332.379 1.485 10 0 EDAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCO[C@@H](c2nccs2)C1 ZINC000110880486 220074878 /nfs/dbraw/zinc/07/48/78/220074878.db2.gz ZJKCQODOXGOGFG-ZIAGYGMSSA-N 0 0 344.392 1.825 10 0 EDAERN O=C(Cc1noc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087605 220098756 /nfs/dbraw/zinc/09/87/56/220098756.db2.gz TYFFNQQLMDBGTR-ZDUSSCGKSA-N 0 0 326.356 1.494 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC[C@@H](n3cc(C)cn3)C2)no1 ZINC000111229563 220118419 /nfs/dbraw/zinc/11/84/19/220118419.db2.gz LREPRAKYFIXXBG-CQSZACIVSA-N 0 0 347.419 1.907 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000111344451 220142272 /nfs/dbraw/zinc/14/22/72/220142272.db2.gz DSFBIGYQJGYGSL-GFCCVEGCSA-N 0 0 345.469 1.033 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCNC(=O)c2ccc(C)cc2)C1 ZINC000111500924 220161942 /nfs/dbraw/zinc/16/19/42/220161942.db2.gz XSASYUYIJUNATO-INIZCTEOSA-N 0 0 346.431 1.035 10 0 EDAERN CCOc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000081073703 217357678 /nfs/dbraw/zinc/35/76/78/217357678.db2.gz KCHSRUWINZXVST-CQSZACIVSA-N 0 0 336.417 1.799 10 0 EDAERN COc1cc(F)ccc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111722014 220184934 /nfs/dbraw/zinc/18/49/34/220184934.db2.gz ZYTASQFRYFJXLI-ZDUSSCGKSA-N 0 0 334.351 1.964 10 0 EDAERN Cn1ccc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1=O ZINC000081341637 217384397 /nfs/dbraw/zinc/38/43/97/217384397.db2.gz PYPVJDDIUAVJPV-ZDUSSCGKSA-N 0 0 335.404 1.515 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1cnn(C)c1C ZINC000245619384 139081315 /nfs/dbraw/zinc/08/13/15/139081315.db2.gz DSCVYUIGZQEMIH-KBMXLJTQSA-N 0 0 333.432 1.994 10 0 EDAERN Cc1csc([C@@H]2CN([C@H](C)c3nc(N)nc(N(C)C)n3)CCO2)n1 ZINC000246071285 139093937 /nfs/dbraw/zinc/09/39/37/139093937.db2.gz BYUHMTLCPDEYHG-MNOVXSKESA-N 0 0 349.464 1.419 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](CC)CSC ZINC000246172041 139097703 /nfs/dbraw/zinc/09/77/03/139097703.db2.gz VJNGENTVVSSMGM-CHWSQXEVSA-N 0 0 336.523 1.791 10 0 EDAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000246432171 139108233 /nfs/dbraw/zinc/10/82/33/139108233.db2.gz MZCXWGVTPQREKR-FZMZJTMJSA-N 0 0 339.823 1.046 10 0 EDAERN C[C@H]1CN(Cc2nc3ccccc3c(=O)n2C)C[C@H]1N1CCOCC1 ZINC000246447056 139108887 /nfs/dbraw/zinc/10/88/87/139108887.db2.gz MNPSKORLAZJTRV-WMLDXEAASA-N 0 0 342.443 1.086 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2F)C[C@@H]1C ZINC000246581936 139113761 /nfs/dbraw/zinc/11/37/61/139113761.db2.gz ADXKRFWQKCKBPS-IUCAKERBSA-N 0 0 334.313 1.770 10 0 EDAERN Cc1ccc(C)c(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000246601725 139114571 /nfs/dbraw/zinc/11/45/71/139114571.db2.gz XLSFELGWZYAYAD-WMZOPIPTSA-N 0 0 331.460 1.894 10 0 EDAERN CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000246852283 139124174 /nfs/dbraw/zinc/12/41/74/139124174.db2.gz AIAHCKAFEKHUQI-OWCLPIDISA-N 0 0 327.469 1.194 10 0 EDAERN C[C@H](NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000246943804 139127999 /nfs/dbraw/zinc/12/79/99/139127999.db2.gz CJCRKIRFIOCSSP-JQHSSLGASA-N 0 0 347.459 1.615 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@H]3CN(c4ccccc4)C(=O)O3)CCO2)[nH]1 ZINC000246979109 139129345 /nfs/dbraw/zinc/12/93/45/139129345.db2.gz MLNBLAKHVWFWGS-GJZGRUSLSA-N 0 0 343.387 1.512 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](OC)c2ccccc2)C[C@@H]1C ZINC000247043638 139132860 /nfs/dbraw/zinc/13/28/60/139132860.db2.gz JDJHMJXUXNPZNV-DOTOQJQBSA-N 0 0 335.448 1.736 10 0 EDAERN CC[C@H]1CN(C(=O)CSC[C@H]2CCCCO2)CCN1CCOC ZINC000247147908 139137644 /nfs/dbraw/zinc/13/76/44/139137644.db2.gz PSMSKTKUVJBMQN-JKSUJKDBSA-N 0 0 344.521 1.858 10 0 EDAERN CCOCCN1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)C[C@@H]1C ZINC000247232576 139141394 /nfs/dbraw/zinc/14/13/94/139141394.db2.gz RIXQVUQQLNQZKP-JKSUJKDBSA-N 0 0 337.508 1.819 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000247230988 139141490 /nfs/dbraw/zinc/14/14/90/139141490.db2.gz WZUSCMJHGUCQHZ-NVXWUHKLSA-N 0 0 346.431 1.543 10 0 EDAERN Cn1cc([C@@H]2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)cn1 ZINC000247573541 139152684 /nfs/dbraw/zinc/15/26/84/139152684.db2.gz XBXOSLRADTXETP-WBVHZDCISA-N 0 0 338.411 1.537 10 0 EDAERN CS(=O)(=O)NCc1nc2ccc(Cl)cc2c(N2CCCC2)n1 ZINC000012122421 211299734 /nfs/dbraw/zinc/29/97/34/211299734.db2.gz HJYJMZLSAQFOEF-UHFFFAOYSA-N 0 0 340.836 1.933 10 0 EDAERN CC(C)c1cc(C(=O)NCCc2nnc(-c3cccnc3)[nH]2)[nH]n1 ZINC000012115822 211294951 /nfs/dbraw/zinc/29/49/51/211294951.db2.gz SMFVMIMKARGEPI-UHFFFAOYSA-N 0 0 325.376 1.686 10 0 EDAERN COCc1noc([C@@H](C)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000248437449 139163846 /nfs/dbraw/zinc/16/38/46/139163846.db2.gz BGMSPTQDTWGSQZ-OLZOCXBDSA-N 0 0 332.408 1.668 10 0 EDAERN C[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)c1ccc(Br)s1 ZINC000091778770 218064359 /nfs/dbraw/zinc/06/43/59/218064359.db2.gz MGWYPNYXXLJLMG-SFYZADRCSA-N 0 0 347.234 1.327 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000091783120 218066149 /nfs/dbraw/zinc/06/61/49/218066149.db2.gz BLKGLXHEAHOOSE-JTQLQIEISA-N 0 0 337.426 1.127 10 0 EDAERN NC(=O)CN1CCC(C(=O)NCc2ccc3sccc3c2)CC1 ZINC000092099002 218119277 /nfs/dbraw/zinc/11/92/77/218119277.db2.gz AZKZOLPRJNNVOQ-UHFFFAOYSA-N 0 0 331.441 1.715 10 0 EDAERN NC(=O)[C@@H]1COCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000092230408 218127673 /nfs/dbraw/zinc/12/76/73/218127673.db2.gz WRMCNMTYFRDENA-LBPRGKRZSA-N 0 0 336.779 1.119 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)NCc3ncn(C)n3)C2)n1 ZINC000092377051 218136861 /nfs/dbraw/zinc/13/68/61/218136861.db2.gz HOJCUGKZPBJWHB-NSHDSACASA-N 0 0 334.449 1.923 10 0 EDAERN CC(C)(C)n1nccc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000093202938 218203255 /nfs/dbraw/zinc/20/32/55/218203255.db2.gz ZHZOSDQAAPZEEP-LBPRGKRZSA-N 0 0 328.372 1.827 10 0 EDAERN CC(C)N(C(C)C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000009704692 211118241 /nfs/dbraw/zinc/11/82/41/211118241.db2.gz CMPUMRXUYGORFZ-UHFFFAOYSA-N 0 0 338.429 1.731 10 0 EDAERN C[C@H]1CN(CCN2CCCC[C@H]2c2nnc3n2CCCC3)CCO1 ZINC000249272938 139189923 /nfs/dbraw/zinc/18/99/23/139189923.db2.gz JYFWGUAIOPAXSN-HOTGVXAUSA-N 0 0 333.480 1.862 10 0 EDAERN O=C1OCC[C@]12CCCN2C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000249558855 139195670 /nfs/dbraw/zinc/19/56/70/139195670.db2.gz KXWSWTTYHPODEN-NVXWUHKLSA-N 0 0 339.819 1.999 10 0 EDAERN CCCCOCCNC(=O)CN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000249756305 139198219 /nfs/dbraw/zinc/19/82/19/139198219.db2.gz KNKFCNIOYLPUQY-JYJNAYRXSA-N 0 0 340.464 1.725 10 0 EDAERN Cc1nccnc1S(=O)(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095089703 218279128 /nfs/dbraw/zinc/27/91/28/218279128.db2.gz ABDRYDPCEBBXKS-LBPRGKRZSA-N 0 0 341.433 1.816 10 0 EDAERN C[C@H](NC(=O)N1CCN(C)C(=O)C1)c1ccccc1Br ZINC000152921748 224031919 /nfs/dbraw/zinc/03/19/19/224031919.db2.gz YHZIUILAJVNLMQ-JTQLQIEISA-N 0 0 340.221 1.994 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3cc(S(C)(=O)=O)cs3)C2)cn1 ZINC000152945137 224035499 /nfs/dbraw/zinc/03/54/99/224035499.db2.gz QRKLREYJQXDXJS-SNVBAGLBSA-N 0 0 339.442 1.515 10 0 EDAERN Cc1nnc(CN2CCN(C(=O)Nc3ccc(C)cc3)CC2)n1C ZINC000153060367 224053037 /nfs/dbraw/zinc/05/30/37/224053037.db2.gz AXBYORJQESIVNE-UHFFFAOYSA-N 0 0 328.420 1.782 10 0 EDAERN COCCNC(=O)Cn1nc(Br)cc1Br ZINC000169203190 533004988 /nfs/dbraw/zinc/00/49/88/533004988.db2.gz LKYRKEYAWXQFNS-UHFFFAOYSA-N 0 0 341.003 1.171 10 0 EDAERN COCCNc1nc(N)c(C(=O)N2CCS[C@H](C)[C@H]2C)s1 ZINC000163647441 533033701 /nfs/dbraw/zinc/03/37/01/533033701.db2.gz AYBJTDKQCCZGMC-RKDXNWHRSA-N 0 0 330.479 1.750 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000131822312 533071619 /nfs/dbraw/zinc/07/16/19/533071619.db2.gz NORBMTWOPHKDGH-XLDPMVHQSA-N 0 0 332.183 1.952 10 0 EDAERN CCn1cc(C2CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC2)cn1 ZINC000153411989 224100531 /nfs/dbraw/zinc/10/05/31/224100531.db2.gz JFXRFICJRPSDJF-UHFFFAOYSA-N 0 0 341.477 1.822 10 0 EDAERN CC(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000112473768 220334605 /nfs/dbraw/zinc/33/46/05/220334605.db2.gz YPBCEHDLNPNUQP-FZMZJTMJSA-N 0 0 338.429 1.473 10 0 EDAERN CC(C)Oc1ccccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112745233 220395620 /nfs/dbraw/zinc/39/56/20/220395620.db2.gz IQRADLBLPBZTQP-CQSZACIVSA-N 0 0 329.404 1.880 10 0 EDAERN O=C([O-])c1cnc(NCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000263413302 139340460 /nfs/dbraw/zinc/34/04/60/139340460.db2.gz NBIWFUBRYPIJFJ-UHFFFAOYSA-N 0 0 341.415 1.799 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C(C)C)C1=O)C(C)C ZINC000114654143 220721288 /nfs/dbraw/zinc/72/12/88/220721288.db2.gz ZCTNHZAOJJJJFN-UKRRQHHQSA-N 0 0 325.453 1.299 10 0 EDAERN COc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000174680796 533186307 /nfs/dbraw/zinc/18/63/07/533186307.db2.gz BJIHZFQCDSMWID-CQSZACIVSA-N 0 0 342.399 1.826 10 0 EDAERN Cc1cccnc1[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C(C)C ZINC000115839751 220913077 /nfs/dbraw/zinc/91/30/77/220913077.db2.gz UMXYSJSCHOXVFA-DZGCQCFKSA-N 0 0 328.420 1.993 10 0 EDAERN C[C@@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)n1cnc2ccccc21 ZINC000171882973 533213092 /nfs/dbraw/zinc/21/30/92/533213092.db2.gz CZQWGKZRSOYBOK-GJZGRUSLSA-N 0 0 339.399 1.721 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)C2)cn1 ZINC000116228545 220943770 /nfs/dbraw/zinc/94/37/70/220943770.db2.gz FOJQVUXRUIYYKV-CQSZACIVSA-N 0 0 344.390 1.234 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC4)C2)cn1 ZINC000116586905 220974916 /nfs/dbraw/zinc/97/49/16/220974916.db2.gz RLXHTYOSSKCNEO-HNNXBMFYSA-N 0 0 338.411 1.863 10 0 EDAERN COCCN1CCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)C[C@H]1C ZINC000117425143 221061123 /nfs/dbraw/zinc/06/11/23/221061123.db2.gz TXIRYWNEAMFHSQ-MRXNPFEDSA-N 0 0 347.459 1.212 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000117282292 221041451 /nfs/dbraw/zinc/04/14/51/221041451.db2.gz SJKGRPGVFQBJRC-AWEZNQCLSA-N 0 0 334.416 1.656 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(C(=O)OC)c2)C[C@H]1C ZINC000117282295 221042338 /nfs/dbraw/zinc/04/23/38/221042338.db2.gz SJKGRPGVFQBJRC-CQSZACIVSA-N 0 0 334.416 1.656 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C[C@@H]1C ZINC000117293157 221046069 /nfs/dbraw/zinc/04/60/69/221046069.db2.gz UJOKAJWBMLMGRU-AWEZNQCLSA-N 0 0 345.443 1.828 10 0 EDAERN COCCN1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C[C@@H]1C ZINC000117296171 221047323 /nfs/dbraw/zinc/04/73/23/221047323.db2.gz FFJPUXJUXJXATJ-AWEZNQCLSA-N 0 0 346.406 1.804 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000117368701 221057378 /nfs/dbraw/zinc/05/73/78/221057378.db2.gz QROLXMBGAIZTLH-LBPRGKRZSA-N 0 0 348.415 1.696 10 0 EDAERN CCc1nc(CNC(=O)N2CCN(CCOC)[C@H](C)C2)cs1 ZINC000117494319 221071811 /nfs/dbraw/zinc/07/18/11/221071811.db2.gz WTAIYYPYBRTSSS-GFCCVEGCSA-N 0 0 326.466 1.568 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000117522179 221073832 /nfs/dbraw/zinc/07/38/32/221073832.db2.gz UESWNDPHTMAAGJ-GFCCVEGCSA-N 0 0 339.823 1.458 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)o1 ZINC000117959946 221103357 /nfs/dbraw/zinc/10/33/57/221103357.db2.gz KLYQYKWEYIDCKV-WCQYABFASA-N 0 0 331.376 1.487 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000118010064 221105278 /nfs/dbraw/zinc/10/52/78/221105278.db2.gz WIUXKPQBLKKWJG-LLVKDONJSA-N 0 0 329.360 1.733 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccccc2SCCC(N)=O)c1 ZINC000118019950 221106633 /nfs/dbraw/zinc/10/66/33/221106633.db2.gz MYFUHKCNNLGEOI-UHFFFAOYSA-N 0 0 347.444 1.981 10 0 EDAERN Cc1cnn(CCNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c1 ZINC000117817671 221092860 /nfs/dbraw/zinc/09/28/60/221092860.db2.gz SRYATUFOTJKAQX-QGZVFWFLSA-N 0 0 342.424 1.937 10 0 EDAERN CCCCNC(=O)C1CCN(C(=O)NCCn2cc(C)cn2)CC1 ZINC000118078709 221113064 /nfs/dbraw/zinc/11/30/64/221113064.db2.gz HRKJIJANWZAYBZ-UHFFFAOYSA-N 0 0 335.452 1.529 10 0 EDAERN O=C(c1cccc2c1OCC(=O)N2)N1CCC(Cn2ccnn2)CC1 ZINC000154836051 224313651 /nfs/dbraw/zinc/31/36/51/224313651.db2.gz YNJAKTFVOQKTGQ-UHFFFAOYSA-N 0 0 341.371 1.161 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)CC(C)(C)OC ZINC000119222705 221269870 /nfs/dbraw/zinc/26/98/70/221269870.db2.gz KCGDDKWGAHYJTI-NEPJUHHUSA-N 0 0 339.440 1.762 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](OC)C(C)(C)C ZINC000119509931 221336808 /nfs/dbraw/zinc/33/68/08/221336808.db2.gz WAOLSUXMEOUNTN-VXGBXAGGSA-N 0 0 339.440 1.620 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)NC[C@H]1CCCN1CC(C)C ZINC000119577810 221351277 /nfs/dbraw/zinc/35/12/77/221351277.db2.gz CZNJEWTYZKHLRA-OAHLLOKOSA-N 0 0 332.510 1.828 10 0 EDAERN O=C(NCCOc1ncccc1Cl)NC[C@@H]1CCCC[C@@H]1O ZINC000119650293 221367499 /nfs/dbraw/zinc/36/74/99/221367499.db2.gz XKARLNPLABXAFF-AAEUAGOBSA-N 0 0 327.812 1.964 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1nc(C)c(C)s1)CC2 ZINC000119774576 221397440 /nfs/dbraw/zinc/39/74/40/221397440.db2.gz PDUGXNITVGVIOJ-LBPRGKRZSA-N 0 0 348.476 1.771 10 0 EDAERN Cc1cncc(O[C@@H]2CCOC3(CN(C(=O)c4ncccn4)C3)C2)n1 ZINC000253601672 257657413 /nfs/dbraw/zinc/65/74/13/257657413.db2.gz VSFLCGIIBQOJAR-CYBMUJFWSA-N 0 0 341.371 1.028 10 0 EDAERN CS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOCc1cccnc1 ZINC000247512012 257681334 /nfs/dbraw/zinc/68/13/34/257681334.db2.gz IQOKDYOOGNFARF-AWEZNQCLSA-N 0 0 326.418 1.039 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(O)c1 ZINC000178007814 533284350 /nfs/dbraw/zinc/28/43/50/533284350.db2.gz YZOVJRCAVJNBNI-ZDUSSCGKSA-N 0 0 331.376 1.464 10 0 EDAERN C[C@@H](NC(=O)c1cccc2c1oc(=O)n2C)c1nnc2n1CCCC2 ZINC000158092466 533300396 /nfs/dbraw/zinc/30/03/96/533300396.db2.gz WBNNXRCOTBCNEH-SNVBAGLBSA-N 0 0 341.371 1.550 10 0 EDAERN CS(=O)(=O)[C@@H]1CSCCN1Cc1cccc2c1OCCN2 ZINC000165729878 533431764 /nfs/dbraw/zinc/43/17/64/533431764.db2.gz BMODQGYUQGNFKF-CYBMUJFWSA-N 0 0 328.459 1.410 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Br)c(F)c1 ZINC000168864852 533548649 /nfs/dbraw/zinc/54/86/49/533548649.db2.gz NBCXFVJLKQCHDQ-GZMMTYOYSA-N 0 0 346.152 1.337 10 0 EDAERN C[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1nc2ccccc2[nH]1 ZINC000173788884 533601397 /nfs/dbraw/zinc/60/13/97/533601397.db2.gz PDBAQEMLZMVYAQ-UONOGXRCSA-N 0 0 343.431 1.740 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000129434014 285480828 /nfs/dbraw/zinc/48/08/28/285480828.db2.gz XOBZAHUEPFMSGE-NSHDSACASA-N 0 0 336.440 1.137 10 0 EDAERN O=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)CO1)[C@H]1CCCO1 ZINC000041418175 132410802 /nfs/dbraw/zinc/41/08/02/132410802.db2.gz UOBNHNASKVLTOJ-UONOGXRCSA-N 0 0 338.791 1.367 10 0 EDAERN COC(=O)C[C@H](C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000131249570 533672453 /nfs/dbraw/zinc/67/24/53/533672453.db2.gz LGNXFRCRWLPBRC-GOEBONIOSA-N 0 0 334.416 1.063 10 0 EDAERN COC(=O)C[C@H](C)C(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000133048740 533672771 /nfs/dbraw/zinc/67/27/71/533672771.db2.gz UKVWYVMSVIWZNJ-ZDUSSCGKSA-N 0 0 345.399 1.984 10 0 EDAERN Cc1noc2ncc(S(=O)(=O)N3CCC[C@H](n4cccn4)C3)cc12 ZINC000328766504 140674096 /nfs/dbraw/zinc/67/40/96/140674096.db2.gz PMKOPMLESNCBSB-LBPRGKRZSA-N 0 0 347.400 1.754 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2N2C(=O)N[C@H](C3CCOCC3)C2=O)cn1 ZINC000330071425 140799935 /nfs/dbraw/zinc/79/99/35/140799935.db2.gz YCELYXVLKMUKIT-RRFJBIMHSA-N 0 0 348.403 1.284 10 0 EDAERN O=C1[C@H](Nc2ccc(N3CCCS3(=O)=O)cc2)CCN1C1CC1 ZINC000330083818 140801066 /nfs/dbraw/zinc/80/10/66/140801066.db2.gz QRLDXLBJVQKYEY-OAHLLOKOSA-N 0 0 335.429 1.402 10 0 EDAERN CN(Cc1cn2c(n1)CCCC2)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000330224201 140819450 /nfs/dbraw/zinc/81/94/50/140819450.db2.gz APMNZCPSLNCDLL-MRXNPFEDSA-N 0 0 332.448 1.431 10 0 EDAERN Cc1noc(C2CN(C(=O)C[C@H]3Sc4ccccc4NC3=O)C2)n1 ZINC000333016559 141250444 /nfs/dbraw/zinc/25/04/44/141250444.db2.gz HCKWFOXKFYEVAR-CYBMUJFWSA-N 0 0 344.396 1.807 10 0 EDAERN O=C(c1cn2c(n1)CCCC2)N1CCC(c2ccnn2CCO)CC1 ZINC000333025684 141251859 /nfs/dbraw/zinc/25/18/59/141251859.db2.gz BAVHLSWOOKIQNU-UHFFFAOYSA-N 0 0 343.431 1.428 10 0 EDAERN O=C(CN1CCC[C@H](c2nnc[nH]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000333033909 141253168 /nfs/dbraw/zinc/25/31/68/141253168.db2.gz BCJQZSKWYWQZSF-LSDHHAIUSA-N 0 0 341.415 1.104 10 0 EDAERN Cc1c(C(=O)N2CC(O)(C3CC3)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000333137327 141270348 /nfs/dbraw/zinc/27/03/48/141270348.db2.gz JQOBTGSBOSZAJT-UHFFFAOYSA-N 0 0 345.424 1.310 10 0 EDAERN Cn1nccc1CC(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000333353956 141304441 /nfs/dbraw/zinc/30/44/41/141304441.db2.gz SCMJUORZLXXIOA-SFHVURJKSA-N 0 0 338.411 1.937 10 0 EDAERN O=C(NCc1ccc(-n2cncn2)cc1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000333523918 141331337 /nfs/dbraw/zinc/33/13/37/141331337.db2.gz ZXURSXUTMPEFPC-OAGGEKHMSA-N 0 0 327.388 1.634 10 0 EDAERN Cc1ccc(Cc2nc(C(=O)N3CCOC[C@@H]3C(N)=O)cs2)cc1 ZINC000091778623 292111155 /nfs/dbraw/zinc/11/11/55/292111155.db2.gz RJCZDGUXRRJXTN-CQSZACIVSA-N 0 0 345.424 1.369 10 0 EDAERN COc1cc(C)c(S(=O)(=O)N2CCn3c(C)nnc3C2)cc1C ZINC000074815981 286208152 /nfs/dbraw/zinc/20/81/52/286208152.db2.gz XMOUGQYGUVJBPC-UHFFFAOYSA-N 0 0 336.417 1.416 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C3CC3)CC2)C12CCOCC2 ZINC000185664453 286351907 /nfs/dbraw/zinc/35/19/07/286351907.db2.gz FZYAGSJSJIQNAZ-JKSUJKDBSA-N 0 0 337.464 1.450 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000073647259 287263075 /nfs/dbraw/zinc/26/30/75/287263075.db2.gz JAOXGZACBPMNBU-AEFFLSMTSA-N 0 0 329.444 1.807 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCc1ccc(C)nc1 ZINC000074170221 287268646 /nfs/dbraw/zinc/26/86/46/287268646.db2.gz RMNWHVVCQCWELA-INIZCTEOSA-N 0 0 332.448 1.975 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1 ZINC000079296591 287300038 /nfs/dbraw/zinc/30/00/38/287300038.db2.gz DDKXMDZRUYCAGX-KRWDZBQOSA-N 0 0 343.427 1.550 10 0 EDAERN O=S(=O)(N[C@H](CO)c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000158436589 225015208 /nfs/dbraw/zinc/01/52/08/225015208.db2.gz PFMCMZVKXWOEEE-QGZVFWFLSA-N 0 0 343.408 1.884 10 0 EDAERN CCn1ncc(Br)c1[C@H](O)[C@@H]1CCCCS1(=O)=O ZINC000158777000 225082706 /nfs/dbraw/zinc/08/27/06/225082706.db2.gz MDENEBATOBICMV-GXSJLCMTSA-N 0 0 337.239 1.666 10 0 EDAERN NC(=O)C1CCC(NC(=O)c2cccc(N)c2Br)CC1 ZINC000158950058 225114973 /nfs/dbraw/zinc/11/49/73/225114973.db2.gz PZNRYQIIFYEIBB-UHFFFAOYSA-N 0 0 340.221 1.805 10 0 EDAERN O=c1[nH]cnc(Sc2nncs2)c1I ZINC000159121278 225150899 /nfs/dbraw/zinc/15/08/99/225150899.db2.gz JWMJFERSDGOKPF-UHFFFAOYSA-N 0 0 338.155 1.377 10 0 EDAERN COC(C)(C)CNS(=O)(=O)c1ccc(Br)cc1N ZINC000159888084 225296944 /nfs/dbraw/zinc/29/69/44/225296944.db2.gz MHORPAKKBFCEOS-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](CO)C1 ZINC000161473405 225634627 /nfs/dbraw/zinc/63/46/27/225634627.db2.gz BDWXVTSRGMDNGH-ZETCQYMHSA-N 0 0 325.217 1.579 10 0 EDAERN COCCN(CCO)[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000164412140 226070248 /nfs/dbraw/zinc/07/02/48/226070248.db2.gz NSPIMPVBXWXPNI-LLVKDONJSA-N 0 0 330.222 1.961 10 0 EDAERN Cc1ccc(F)c(OCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000164421366 226072571 /nfs/dbraw/zinc/07/25/71/226072571.db2.gz YDLDXMWWQFHWNO-GOEBONIOSA-N 0 0 336.407 1.692 10 0 EDAERN CN(C(=O)CS(=O)(=O)c1cc(Br)ccc1N)C1CC1 ZINC000167154534 226182125 /nfs/dbraw/zinc/18/21/25/226182125.db2.gz SPJUTYRPNNBARR-UHFFFAOYSA-N 0 0 347.234 1.426 10 0 EDAERN Nc1cc(Br)ccc1[S@@](=O)CCC(=O)NC1CC1 ZINC000165525373 226126907 /nfs/dbraw/zinc/12/69/07/226126907.db2.gz TYQMRHBLJSOCCN-GOSISDBHSA-N 0 0 331.235 1.808 10 0 EDAERN Nc1cc(F)cc(Cn2cncc(I)c2=O)c1 ZINC000165681538 226133244 /nfs/dbraw/zinc/13/32/44/226133244.db2.gz LPASFQKCSZVXGT-UHFFFAOYSA-N 0 0 345.115 1.618 10 0 EDAERN COCCCn1cnc(Cl)c(I)c1=O ZINC000166341906 226155557 /nfs/dbraw/zinc/15/55/57/226155557.db2.gz VORCZMMQEXBGII-UHFFFAOYSA-N 0 0 328.537 1.538 10 0 EDAERN C[C@H]1CO[C@H](CO)CN1CC(=O)c1ccc(Br)cc1 ZINC000168214666 226210151 /nfs/dbraw/zinc/21/01/51/226210151.db2.gz FLNFFLUWPQKEEW-GWCFXTLKSA-N 0 0 328.206 1.713 10 0 EDAERN Nc1cc(Br)ccc1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000168495648 226215090 /nfs/dbraw/zinc/21/50/90/226215090.db2.gz IXEAGFDLBHBKSM-JTQLQIEISA-N 0 0 338.205 1.478 10 0 EDAERN NC(=S)[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000168467778 226215135 /nfs/dbraw/zinc/21/51/35/226215135.db2.gz MBCHZIUDQQSCNF-NWDGAFQWSA-N 0 0 326.443 1.097 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121187120 221781789 /nfs/dbraw/zinc/78/17/89/221781789.db2.gz WIDQJVNZOBIUNE-OAHLLOKOSA-N 0 0 342.399 1.411 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000122449421 222090221 /nfs/dbraw/zinc/09/02/21/222090221.db2.gz OINUOBGVXVQZGM-UHFFFAOYSA-N 0 0 343.840 1.673 10 0 EDAERN Cc1ncccc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000122712616 222143837 /nfs/dbraw/zinc/14/38/37/222143837.db2.gz CNFZLGZETVQYSX-IBGZPJMESA-N 0 0 341.455 1.948 10 0 EDAERN CC(C)[C@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)N1CCCC1=O ZINC000123341915 222259350 /nfs/dbraw/zinc/25/93/50/222259350.db2.gz XAJZENCVAQOGLN-DOTOQJQBSA-N 0 0 331.416 1.708 10 0 EDAERN C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000123634685 222308038 /nfs/dbraw/zinc/30/80/38/222308038.db2.gz SCPUVTJOLOVHNE-SMDDNHRTSA-N 0 0 345.378 1.570 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)Cc3nc4ncccn4n3)C2)c1 ZINC000171583575 227153630 /nfs/dbraw/zinc/15/36/30/227153630.db2.gz ALPXDHRFKCVNPI-CYBMUJFWSA-N 0 0 325.376 1.035 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cccnc2N2CCOCC2)c1 ZINC000172245016 227565402 /nfs/dbraw/zinc/56/54/02/227565402.db2.gz PCNAZHWLGRVFJY-UHFFFAOYSA-N 0 0 330.392 1.245 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)C1CN(C(C)=O)C1)c1ccc(Cl)cc1 ZINC000193865043 272999100 /nfs/dbraw/zinc/99/91/00/272999100.db2.gz ZFAXPLHFWVZCPM-AWEZNQCLSA-N 0 0 338.791 1.539 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000042799857 272910131 /nfs/dbraw/zinc/91/01/31/272910131.db2.gz YLAHORGFTHSXRF-HNNXBMFYSA-N 0 0 332.448 1.519 10 0 EDAERN CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)c1cccs1 ZINC000047977982 272914002 /nfs/dbraw/zinc/91/40/02/272914002.db2.gz RMNSPSVDFMMRMT-LLVKDONJSA-N 0 0 333.479 1.780 10 0 EDAERN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000127711991 272925988 /nfs/dbraw/zinc/92/59/88/272925988.db2.gz BTEKJARUJALLAH-SWLSCSKDSA-N 0 0 329.404 1.887 10 0 EDAERN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1CNC(=O)C1 ZINC000131281545 272926274 /nfs/dbraw/zinc/92/62/74/272926274.db2.gz UGLJSUONBSUBHH-QMMMGPOBSA-N 0 0 346.214 1.798 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000162746574 272931284 /nfs/dbraw/zinc/93/12/84/272931284.db2.gz VVSGYPAVLVSMBM-AWEZNQCLSA-N 0 0 329.356 1.579 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)O1 ZINC000157273360 287682347 /nfs/dbraw/zinc/68/23/47/287682347.db2.gz XRTISQGRSRRVMV-ABAIWWIYSA-N 0 0 338.429 1.881 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCOC[C@H]3C)C2=O)n(C)n1 ZINC000248855927 287781702 /nfs/dbraw/zinc/78/17/02/287781702.db2.gz KZXXHXYTKDAICZ-BNOWGMLFSA-N 0 0 334.420 1.013 10 0 EDAERN CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc2c(c1)OCO2 ZINC000004279673 276290299 /nfs/dbraw/zinc/29/02/99/276290299.db2.gz QCYFMHFFTPGYOH-QWHCGFSZSA-N 0 0 348.384 1.637 10 0 EDAERN CCOc1ccnc(N2CCN(C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000189197093 276500425 /nfs/dbraw/zinc/50/04/25/276500425.db2.gz KZMYQBJCNGLPAK-LLVKDONJSA-N 0 0 334.342 1.311 10 0 EDAERN CC(=O)N[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)C1CCCC1 ZINC000124638160 277038364 /nfs/dbraw/zinc/03/83/64/277038364.db2.gz MWEVALJIZVNCNM-QGZVFWFLSA-N 0 0 332.448 1.821 10 0 EDAERN CN1CC[N@H+](C)CC12CCN(c1nc3c(cc1C(=O)[O-])CCC3)CC2 ZINC000067603561 277101081 /nfs/dbraw/zinc/10/10/81/277101081.db2.gz SDNHPGSAMVASJM-UHFFFAOYSA-N 0 0 344.459 1.485 10 0 EDAERN Cc1ccc(S(N)(=O)=O)c2cc(I)cnc12 ZINC000068577605 278840911 /nfs/dbraw/zinc/84/09/11/278840911.db2.gz OENFSTSVSIXDPU-UHFFFAOYSA-N 0 0 348.165 1.795 10 0 EDAERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000246465511 280085330 /nfs/dbraw/zinc/08/53/30/280085330.db2.gz NPAOHNQTMLNAAL-ULQDDVLXSA-N 0 0 347.459 1.833 10 0 EDAERN O=C(c1ccc(-n2cccn2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172744974 280178029 /nfs/dbraw/zinc/17/80/29/280178029.db2.gz OLZMSXMPQYVSFE-KRWDZBQOSA-N 0 0 326.400 1.419 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccnc3c(C(N)=O)cnn31)[C@@H](C)C2 ZINC000181111363 281089859 /nfs/dbraw/zinc/08/98/59/281089859.db2.gz LDQVLLLSRKJZOU-ZBEGNZNMSA-N 0 0 349.394 1.800 10 0 EDAERN Cc1cccc(-n2c3nc(-c4ccco4)nc(C(N)=O)c3[nH]c2=O)c1 ZINC000005151671 281187367 /nfs/dbraw/zinc/18/73/67/281187367.db2.gz TYLIEYZLBVGNLK-UHFFFAOYSA-N 0 0 335.323 1.776 10 0 EDAERN Cc1cccc(CN2C(=O)CO[C@@H]3CN(C(=O)c4ccoc4)C[C@H]32)c1 ZINC000096246414 281215532 /nfs/dbraw/zinc/21/55/32/281215532.db2.gz ACEASJBRIMVVHC-IAGOWNOFSA-N 0 0 340.379 1.840 10 0 EDAERN Cc1csc(NC(=O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000188301209 281722468 /nfs/dbraw/zinc/72/24/68/281722468.db2.gz AUYRSHJMCDOJPD-JTQLQIEISA-N 0 0 348.432 1.236 10 0 EDAERN CN(C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000122109568 288853895 /nfs/dbraw/zinc/85/38/95/288853895.db2.gz FXVHVAGNZDIMSF-AXFHLTTASA-N 0 0 342.383 1.936 10 0 EDAERN C[C@H](C(=O)Nc1c(F)cccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173943307 289379258 /nfs/dbraw/zinc/37/92/58/289379258.db2.gz SSUAXCCUZSKUCZ-OLZOCXBDSA-N 0 0 339.386 1.698 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000081586633 293506437 /nfs/dbraw/zinc/50/64/37/293506437.db2.gz XLUVGXWNRDOPER-BONVTDFDSA-N 0 0 330.436 1.767 10 0 EDAERN Nc1cc(I)c(I)cn1 ZINC000095830251 295349274 /nfs/dbraw/zinc/34/92/74/295349274.db2.gz RZBNZAJXIWRJTR-UHFFFAOYSA-N 0 0 345.909 1.873 10 0 EDAERN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000176823932 298491991 /nfs/dbraw/zinc/49/19/91/298491991.db2.gz LJIOUEXAWGQVDR-VXGBXAGGSA-N 0 0 337.424 1.212 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000079314878 302873797 /nfs/dbraw/zinc/87/37/97/302873797.db2.gz FLUDNYKULAWOAQ-RYUDHWBXSA-N 0 0 331.372 1.619 10 0 EDAERN O=c1cc(CNC2(c3noc(C4CC4)n3)CCCC2)[nH]c2ccnn21 ZINC000173708660 302951326 /nfs/dbraw/zinc/95/13/26/302951326.db2.gz HYIVTQRNWSTTHU-UHFFFAOYSA-N 0 0 340.387 1.842 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1Br ZINC000091779538 303307694 /nfs/dbraw/zinc/30/76/94/303307694.db2.gz DKFUOSXOTZEZEP-JTQLQIEISA-N 0 0 347.596 1.429 10 0 EDAERN O=C(NC1CC1)[C@@H](O)C1CCN(Cc2noc3c2CCCC3)CC1 ZINC000299747786 303657945 /nfs/dbraw/zinc/65/79/45/303657945.db2.gz FBCIKARLFYOGPU-KRWDZBQOSA-N 0 0 333.432 1.405 10 0 EDAERN O[C@@H]1[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000101431668 304838793 /nfs/dbraw/zinc/83/87/93/304838793.db2.gz LJLFYCLESOMKAW-SJJUBHFPSA-N 0 0 340.416 1.611 10 0 in-vitro EDAERN CCn1ccnc1CN1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 ZINC000548673881 306134845 /nfs/dbraw/zinc/13/48/45/306134845.db2.gz FKTKDNRSYHRBTJ-INIZCTEOSA-N 0 0 333.461 1.905 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000174329111 533699233 /nfs/dbraw/zinc/69/92/33/533699233.db2.gz ZDMNSBXGVFDRLI-JKSUJKDBSA-N 0 0 342.443 1.459 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000045163243 440958331 /nfs/dbraw/zinc/95/83/31/440958331.db2.gz AHSQNPKDDKBHME-NSHDSACASA-N 0 0 326.356 1.934 10 0 EDAERN COc1cccc(CNS(=O)(=O)c2csc(C(N)=O)c2)c1 ZINC000006859530 441019659 /nfs/dbraw/zinc/01/96/59/441019659.db2.gz JILOEAWTUHXIHF-UHFFFAOYSA-N 0 0 326.399 1.334 10 0 EDAERN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC=C[C@H]1CO ZINC000071759341 441151615 /nfs/dbraw/zinc/15/16/15/441151615.db2.gz VDTGIMJEWBYNIJ-HNNXBMFYSA-N 0 0 342.443 1.939 10 0 EDAERN COc1ccc(C(=O)N[C@@H](C)C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000017057153 441235390 /nfs/dbraw/zinc/23/53/90/441235390.db2.gz VEJSYVRERMITSD-NSHDSACASA-N 0 0 340.445 1.910 10 0 EDAERN COc1cccc(N2C(=O)CN(C(=O)c3ccnn3C)C[C@@H]2C)c1 ZINC000014985750 441193186 /nfs/dbraw/zinc/19/31/86/441193186.db2.gz AJIBTTIZUHZMJP-LBPRGKRZSA-N 0 0 328.372 1.306 10 0 EDAERN Cc1cc(NCCNc2nc3ccccc3c(=O)[nH]2)n2ncnc2n1 ZINC000080972333 441214616 /nfs/dbraw/zinc/21/46/16/441214616.db2.gz PPKJZDMMWYLGAK-UHFFFAOYSA-N 0 0 336.359 1.193 10 0 EDAERN Cc1cc(NC(=O)[C@@H](C)N2CCCN(c3cccnn3)CC2)on1 ZINC000105799374 441273643 /nfs/dbraw/zinc/27/36/43/441273643.db2.gz YNMBFLSTRKSOMD-CYBMUJFWSA-N 0 0 330.392 1.312 10 0 EDAERN C[C@H](C(=O)NC1CCCC1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806101 441275217 /nfs/dbraw/zinc/27/52/17/441275217.db2.gz ZOILNMUAYAKCEL-CQSZACIVSA-N 0 0 331.464 1.825 10 0 EDAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105815048 441276836 /nfs/dbraw/zinc/27/68/36/441276836.db2.gz HVILMDZLQJFDNN-LBPRGKRZSA-N 0 0 343.387 1.291 10 0 EDAERN CC(C)CNC(=O)[C@@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820463 441279302 /nfs/dbraw/zinc/27/93/02/441279302.db2.gz NOBZJWONHZTCBI-SJLPKXTDSA-N 0 0 333.476 1.498 10 0 EDAERN CCCCNC(=O)[C@@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820487 441279394 /nfs/dbraw/zinc/27/93/94/441279394.db2.gz NJKOSRTWLXGTRL-AEFFLSMTSA-N 0 0 333.476 1.642 10 0 EDAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105823073 441280309 /nfs/dbraw/zinc/28/03/09/441280309.db2.gz SKKBTVZMRHOJEI-KFWWJZLASA-N 0 0 347.459 1.603 10 0 EDAERN Nc1nc(CN2CCCN(c3cccnn3)CC2)nc2ccccc12 ZINC000106070229 441325777 /nfs/dbraw/zinc/32/57/77/441325777.db2.gz ALRNQWQTNFXSBQ-UHFFFAOYSA-N 0 0 335.415 1.714 10 0 EDAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccc(C(N)=O)cc1 ZINC000081966649 441326755 /nfs/dbraw/zinc/32/67/55/441326755.db2.gz GIHLULVQVSMARQ-QGZVFWFLSA-N 0 0 342.395 1.435 10 0 EDAERN CCCCNC(=O)CN1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000106154042 441327972 /nfs/dbraw/zinc/32/79/72/441327972.db2.gz PPCXEQHFXZZSAY-UHFFFAOYSA-N 0 0 335.452 1.222 10 0 EDAERN CCOc1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cc1F ZINC000106259431 441330433 /nfs/dbraw/zinc/33/04/33/441330433.db2.gz AHLBZYVLRPISDN-ZDUSSCGKSA-N 0 0 339.411 1.744 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865834 441296779 /nfs/dbraw/zinc/29/67/79/441296779.db2.gz HHNVDUFNCOGOII-WMLDXEAASA-N 0 0 349.523 1.848 10 0 EDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1ccc(F)c(F)c1 ZINC000105888795 441307735 /nfs/dbraw/zinc/30/77/35/441307735.db2.gz YTXWJFUKQHCZGG-ZDUSSCGKSA-N 0 0 336.342 1.501 10 0 EDAERN Cc1nnc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)n1C ZINC000105928137 441317117 /nfs/dbraw/zinc/31/71/17/441317117.db2.gz RRZFNPJWVNTQHJ-UHFFFAOYSA-N 0 0 346.410 1.019 10 0 EDAERN CC(C)c1nc2c(n1C)CCN([C@H](C)c1nc(N)nc(N(C)C)n1)C2 ZINC000106861126 441379689 /nfs/dbraw/zinc/37/96/89/441379689.db2.gz QRGWJGZHEVLCEG-LLVKDONJSA-N 0 0 344.467 1.496 10 0 EDAERN O=C(Cn1c(=O)c2nncn2c2ncccc21)NC1CCCCCC1 ZINC000065172917 441405964 /nfs/dbraw/zinc/40/59/64/441405964.db2.gz AJOATTCPIJEJAT-UHFFFAOYSA-N 0 0 340.387 1.278 10 0 EDAERN COCCNC(=O)[C@H]1CCCN(c2cnc3nc(C)c(C)nc3c2)C1 ZINC000065227204 441408156 /nfs/dbraw/zinc/40/81/56/441408156.db2.gz ZPKGLEBMSQURER-AWEZNQCLSA-N 0 0 343.431 1.621 10 0 EDAERN CCCNC(=O)CNC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000028002108 441421580 /nfs/dbraw/zinc/42/15/80/441421580.db2.gz ZEOOHOYBACLRFT-CZUORRHYSA-N 0 0 333.432 1.474 10 0 EDAERN CCS(=O)(=O)C[C@@H](C)N(C)C[C@H](O)COCc1ccccc1 ZINC000084963687 441427916 /nfs/dbraw/zinc/42/79/16/441427916.db2.gz UGGMFHZUUQCIHJ-ZBFHGGJFSA-N 0 0 329.462 1.319 10 0 EDAERN COCCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109100483 441488085 /nfs/dbraw/zinc/48/80/85/441488085.db2.gz GXZRJPDIOSPLKY-OLZOCXBDSA-N 0 0 340.370 1.632 10 0 EDAERN CC[C@@H]1CN(c2ncc(C(N)=O)cc2Cl)CCN1C[C@@H](C)O ZINC000109320133 441495567 /nfs/dbraw/zinc/49/55/67/441495567.db2.gz KVYNKSARNDLFFU-ZYHUDNBSSA-N 0 0 326.828 1.115 10 0 EDAERN CC(=O)N[C@@H](CCC(N)=O)C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000075136818 441502146 /nfs/dbraw/zinc/50/21/46/441502146.db2.gz OXHWNAJKZNDVDI-HNNXBMFYSA-N 0 0 333.432 1.717 10 0 EDAERN Cc1nc(N)nc2c1cc(Br)c(=O)n2[C@@H]1CCOC1 ZINC000113726516 441623235 /nfs/dbraw/zinc/62/32/35/441623235.db2.gz GJKWUYAAJQCNPY-SSDOTTSWSA-N 0 0 325.166 1.406 10 0 EDAERN CNC(=O)c1cccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000113932510 441628333 /nfs/dbraw/zinc/62/83/33/441628333.db2.gz YPUUGURDLQHWLO-CYBMUJFWSA-N 0 0 343.431 1.616 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)c1nncn1-c1ccccc1C ZINC000090989363 441646913 /nfs/dbraw/zinc/64/69/13/441646913.db2.gz JLUAKTXNOHHSLL-UHFFFAOYSA-N 0 0 346.416 1.469 10 0 EDAERN Cc1ccccc1CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000115204931 441717699 /nfs/dbraw/zinc/71/76/99/441717699.db2.gz OTBXSYCBNBVJGP-AEFFLSMTSA-N 0 0 340.427 1.954 10 0 EDAERN COc1cc(CCNC(=O)[C@@H](C)NC(=O)c2ccco2)ccc1O ZINC000114798975 441684461 /nfs/dbraw/zinc/68/44/61/441684461.db2.gz DHSYSDADSIGVSG-LLVKDONJSA-N 0 0 332.356 1.471 10 0 EDAERN CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCc3nc(CC)nn3C2)C1 ZINC000114865728 441692877 /nfs/dbraw/zinc/69/28/77/441692877.db2.gz JRHOTUMXCLPAKF-QWHCGFSZSA-N 0 0 349.435 1.140 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(F)cc3nccnc31)CC2 ZINC000114865439 441692969 /nfs/dbraw/zinc/69/29/69/441692969.db2.gz QIJLVOBGASEFBP-NSHDSACASA-N 0 0 340.362 1.668 10 0 EDAERN CCS(=O)(=O)C[C@H](C)N(C)C[C@@H](O)COCc1ccccc1 ZINC000114563108 441667561 /nfs/dbraw/zinc/66/75/61/441667561.db2.gz UGGMFHZUUQCIHJ-GOEBONIOSA-N 0 0 329.462 1.319 10 0 EDAERN CCc1cnc(CCNC(=O)N2CCO[C@H](Cn3cccn3)C2)s1 ZINC000173386071 441731310 /nfs/dbraw/zinc/73/13/10/441731310.db2.gz JLXXSWURAVFWSR-ZDUSSCGKSA-N 0 0 349.460 1.555 10 0 EDAERN NC(=O)c1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000136932297 441733036 /nfs/dbraw/zinc/73/30/36/441733036.db2.gz OFQBICACSCFJTB-QAPCUYQASA-N 0 0 331.416 1.622 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CC2(Cl)Cl)ncn1 ZINC000173421099 441742975 /nfs/dbraw/zinc/74/29/75/441742975.db2.gz UEKHRMSTAMTROO-UWVGGRQHSA-N 0 0 344.246 1.797 10 0 EDAERN CCc1cc(C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)[nH]n1 ZINC000173445931 441753717 /nfs/dbraw/zinc/75/37/17/441753717.db2.gz RYOYYEVKLONZEL-GFCCVEGCSA-N 0 0 329.408 1.203 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCCNS(C)(=O)=O)o1 ZINC000173481411 441764693 /nfs/dbraw/zinc/76/46/93/441764693.db2.gz AAILQINDWNOOCM-ZDUSSCGKSA-N 0 0 343.449 1.628 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCCc3ccccc3)CC2)cn1 ZINC000115633958 441765177 /nfs/dbraw/zinc/76/51/77/441765177.db2.gz OUODGYNCWPFFBJ-UHFFFAOYSA-N 0 0 341.459 1.880 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1nnc2n1CCCC2 ZINC000121722981 441766709 /nfs/dbraw/zinc/76/67/09/441766709.db2.gz MCIYOEFUPPUIJO-LLVKDONJSA-N 0 0 348.428 1.589 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000136791543 441724833 /nfs/dbraw/zinc/72/48/33/441724833.db2.gz XDWUKGPYPHFHJW-INIZCTEOSA-N 0 0 344.419 1.188 10 0 EDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)C2)cn1 ZINC000116370680 441815959 /nfs/dbraw/zinc/81/59/59/441815959.db2.gz QUROPCAEOGAOMN-LLVKDONJSA-N 0 0 347.396 1.269 10 0 EDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cn1 ZINC000116371523 441816568 /nfs/dbraw/zinc/81/65/68/441816568.db2.gz IQPBLKLXPVMVJH-GFCCVEGCSA-N 0 0 349.412 1.370 10 0 EDAERN COc1ccc(Cl)cc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173527949 441778913 /nfs/dbraw/zinc/77/89/13/441778913.db2.gz XNADRGVKBDNVNR-ZDUSSCGKSA-N 0 0 336.779 1.989 10 0 EDAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000137896300 441780688 /nfs/dbraw/zinc/78/06/88/441780688.db2.gz GJGGURHPAQYZSX-HIFRSBDPSA-N 0 0 335.452 1.614 10 0 EDAERN [NH3+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCSCc2ccc(F)cc2)C1 ZINC000077454802 441783931 /nfs/dbraw/zinc/78/39/31/441783931.db2.gz FTZGXCIXZQAXGZ-STQMWFEESA-N 0 0 326.393 1.462 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Cc3csc(CC)n3)CCO2)[nH]1 ZINC000173580955 441797956 /nfs/dbraw/zinc/79/79/56/441797956.db2.gz QJBIKFIQVMHEKE-LLVKDONJSA-N 0 0 335.433 1.529 10 0 EDAERN O=C(N[C@H](CCCO)c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173911383 441860319 /nfs/dbraw/zinc/86/03/19/441860319.db2.gz DCXIPPNTXIJKRC-ZWKOTPCHSA-N 0 0 347.459 1.616 10 0 EDAERN CCC[C@H](NC(N)=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173930830 441864116 /nfs/dbraw/zinc/86/41/16/441864116.db2.gz BTEKJARUJALLAH-WFASDCNBSA-N 0 0 329.404 1.887 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccc(C(=O)NC)cc3)CCO2)[nH]1 ZINC000173687478 441824500 /nfs/dbraw/zinc/82/45/00/441824500.db2.gz DPKLWKUULZOSJT-AWEZNQCLSA-N 0 0 329.404 1.300 10 0 EDAERN CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173690827 441825957 /nfs/dbraw/zinc/82/59/57/441825957.db2.gz FEGJGRMTVRGJOY-CYBMUJFWSA-N 0 0 343.387 1.479 10 0 EDAERN COCCCNC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000116517871 441826364 /nfs/dbraw/zinc/82/63/64/441826364.db2.gz HOALCTMUKLPRTH-UHFFFAOYSA-N 0 0 326.466 1.705 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116587987 441832793 /nfs/dbraw/zinc/83/27/93/441832793.db2.gz SYYHOWDSFSTWHB-LBPRGKRZSA-N 0 0 328.372 1.383 10 0 EDAERN O=C(NC1CCC2(CC1)OCCO2)N1CCC[C@H](n2cncn2)C1 ZINC000173799142 441841876 /nfs/dbraw/zinc/84/18/76/441841876.db2.gz AWMGMNKBPHWNMN-AWEZNQCLSA-N 0 0 335.408 1.310 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)C(C)C ZINC000174334064 441913560 /nfs/dbraw/zinc/91/35/60/441913560.db2.gz NLJCOLTYSUQVNF-CVEARBPZSA-N 0 0 338.452 1.745 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000174008737 441877389 /nfs/dbraw/zinc/87/73/89/441877389.db2.gz ZHTGWJJBDPMPEZ-OAHLLOKOSA-N 0 0 342.403 1.184 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000174137823 441892735 /nfs/dbraw/zinc/89/27/35/441892735.db2.gz IGUUYHYDLFZYSO-ZIAGYGMSSA-N 0 0 342.461 1.666 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000119900111 441972352 /nfs/dbraw/zinc/97/23/52/441972352.db2.gz CKFWJNQOOQDAGW-UHFFFAOYSA-N 0 0 346.387 1.471 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cn(CCC(C)C)nn2)CCN1C[C@@H](C)O ZINC000174646677 441949347 /nfs/dbraw/zinc/94/93/47/441949347.db2.gz ZJNIHOLQIRWAAG-HUUCEWRRSA-N 0 0 337.468 1.241 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000119864062 441966302 /nfs/dbraw/zinc/96/63/02/441966302.db2.gz CCLMZYFORWVCNT-LLVKDONJSA-N 0 0 338.408 1.173 10 0 EDAERN CC(C)S(=O)(=O)CCCN1CCC(N(C)c2cccnn2)CC1 ZINC000120001801 441992210 /nfs/dbraw/zinc/99/22/10/441992210.db2.gz YCUZAFJCPBOXKQ-UHFFFAOYSA-N 0 0 340.493 1.591 10 0 EDAERN CC(C)S(=O)(=O)CCCN1CCCN(c2cccnn2)CC1 ZINC000119993995 441989391 /nfs/dbraw/zinc/98/93/91/441989391.db2.gz UNDKNKVDBDTPIZ-UHFFFAOYSA-N 0 0 326.466 1.202 10 0 EDAERN CS(=O)(=O)CCCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174977385 441990288 /nfs/dbraw/zinc/99/02/88/441990288.db2.gz KOPDKBYREOZZQW-UHFFFAOYSA-N 0 0 341.433 1.657 10 0 EDAERN Cc1ccc(O[C@@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000175114379 442005912 /nfs/dbraw/zinc/00/59/12/442005912.db2.gz XSUDUSKDIDQOLB-KBPBESRZSA-N 0 0 329.404 1.668 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000151129612 442010256 /nfs/dbraw/zinc/01/02/56/442010256.db2.gz WWVUYMXQBBHONI-HIFRSBDPSA-N 0 0 325.434 1.511 10 0 EDAERN COCCN(CC(F)F)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161596602 442015851 /nfs/dbraw/zinc/01/58/51/442015851.db2.gz QNHKOHNWLLRGCU-LLVKDONJSA-N 0 0 345.394 1.639 10 0 EDAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCC(c2cc[nH]n2)CC1 ZINC000125365980 442014324 /nfs/dbraw/zinc/01/43/24/442014324.db2.gz YQZZNTBTSRMBOO-INIZCTEOSA-N 0 0 325.368 1.897 10 0 EDAERN CO[C@@H](C)c1noc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000175188379 442014609 /nfs/dbraw/zinc/01/46/09/442014609.db2.gz ODSOYNRVOCKWSB-HOCLYGCPSA-N 0 0 346.431 1.628 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000175193408 442014640 /nfs/dbraw/zinc/01/46/40/442014640.db2.gz HICHXURZZAIXAO-QGZVFWFLSA-N 0 0 333.480 1.164 10 0 EDAERN CC(=O)N1CC[C@H](CN(C)C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000120544783 442092851 /nfs/dbraw/zinc/09/28/51/442092851.db2.gz MUVIAQOXNWJCBX-NVXWUHKLSA-N 0 0 339.480 1.500 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000162446584 442093659 /nfs/dbraw/zinc/09/36/59/442093659.db2.gz SHYWMGQXIXRIEH-CYBMUJFWSA-N 0 0 340.445 1.278 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)C(=O)Nc3ccsc3)CC2)n1 ZINC000125832367 442052755 /nfs/dbraw/zinc/05/27/55/442052755.db2.gz SPMOORDMFDPCBD-SNVBAGLBSA-N 0 0 349.416 1.283 10 0 EDAERN COCC[N@H+](C)CCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151510130 442075215 /nfs/dbraw/zinc/07/52/15/442075215.db2.gz PHQXMIHUABPTDG-WBVHZDCISA-N 0 0 327.469 1.291 10 0 EDAERN CCNC(=O)N1C[C@@H](C(=O)NC2CC2)[C@@H](c2ccccc2OC)C1 ZINC000096279830 442109625 /nfs/dbraw/zinc/10/96/25/442109625.db2.gz FGYMRFYPGWEZSM-HUUCEWRRSA-N 0 0 331.416 1.719 10 0 EDAERN COC[C@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccco1 ZINC000175729798 442112505 /nfs/dbraw/zinc/11/25/05/442112505.db2.gz MGNYGAMYODKXLV-KGLIPLIRSA-N 0 0 334.376 1.274 10 0 EDAERN Cn1cc(CNC(=O)N[C@@H]2CCCn3ncnc32)c(C(F)(F)F)n1 ZINC000151778981 442118840 /nfs/dbraw/zinc/11/88/40/442118840.db2.gz SLGFFTXNLPOVFQ-SECBINFHSA-N 0 0 343.313 1.365 10 0 EDAERN COc1cccc(OC)c1CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000120729027 442123914 /nfs/dbraw/zinc/12/39/14/442123914.db2.gz MWDGLDBCLGKBOB-ZDUSSCGKSA-N 0 0 329.400 1.996 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2c(F)cccc2F)C[C@H]1C ZINC000162998616 442137099 /nfs/dbraw/zinc/13/70/99/442137099.db2.gz GVCZKQZSIZSKJE-GFCCVEGCSA-N 0 0 348.415 1.447 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175924537 442146781 /nfs/dbraw/zinc/14/67/81/442146781.db2.gz ZEXWBUCLIWVFAH-HIFRSBDPSA-N 0 0 335.452 1.670 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](COC)c2ccc(C)o2)C[C@H]1C ZINC000175657303 442100338 /nfs/dbraw/zinc/10/03/38/442100338.db2.gz SGLQYEPLCGXGIM-HIFRSBDPSA-N 0 0 339.436 1.638 10 0 EDAERN COCc1ccc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000175665130 442101824 /nfs/dbraw/zinc/10/18/24/442101824.db2.gz NJESTNFKQPCOFN-YJBOKZPZSA-N 0 0 347.459 1.695 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCC(=O)N1CCCCC1 ZINC000175666039 442102031 /nfs/dbraw/zinc/10/20/31/442102031.db2.gz OOKWDZZRCKEFLM-ZDUSSCGKSA-N 0 0 334.424 1.123 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000127066589 442167168 /nfs/dbraw/zinc/16/71/68/442167168.db2.gz OBOUASZPPVSNKF-ZDUSSCGKSA-N 0 0 343.387 1.164 10 0 EDAERN CN1C(=O)c2ccc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2C1=O ZINC000121108116 442177388 /nfs/dbraw/zinc/17/73/88/442177388.db2.gz ZLQNRTMUOULXGP-BFUOFWGJSA-N 0 0 342.395 1.680 10 0 EDAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NCCOc1ccccc1 ZINC000152300797 442195230 /nfs/dbraw/zinc/19/52/30/442195230.db2.gz UBVVQQPXRUJSSC-GOSISDBHSA-N 0 0 341.411 1.730 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000121264159 442197931 /nfs/dbraw/zinc/19/79/31/442197931.db2.gz UJTOPXMUWGRLBT-LBPRGKRZSA-N 0 0 337.807 1.714 10 0 EDAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127417434 442200900 /nfs/dbraw/zinc/20/09/00/442200900.db2.gz GNKUWCWMKXQNSR-CQSZACIVSA-N 0 0 337.387 1.411 10 0 EDAERN O=C(Nc1ccc(Cl)cc1OC(F)F)C(=O)N1CCC[C@H]1CO ZINC000120952446 442156947 /nfs/dbraw/zinc/15/69/47/442156947.db2.gz ZGZPNMIWMQTLDQ-VIFPVBQESA-N 0 0 348.733 1.863 10 0 EDAERN O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)N1CCC[C@H]1CO ZINC000120980475 442160322 /nfs/dbraw/zinc/16/03/22/442160322.db2.gz MPYHBMMRKWJUAW-LBPRGKRZSA-N 0 0 336.363 1.679 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)C(=O)c2ccc(Cl)cc2)n1 ZINC000120999715 442163324 /nfs/dbraw/zinc/16/33/24/442163324.db2.gz LAMQQIRBEKJZQN-GFCCVEGCSA-N 0 0 335.747 1.814 10 0 EDAERN C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@H]1N1CCOCC1 ZINC000128163345 442249434 /nfs/dbraw/zinc/24/94/34/442249434.db2.gz CSVFVYSIXMLJLZ-ZYHUDNBSSA-N 0 0 344.337 1.288 10 0 EDAERN COCCn1c(C)cc(C(=O)CN2CCC[C@@H](n3cncn3)C2)c1C ZINC000176328990 442210511 /nfs/dbraw/zinc/21/05/11/442210511.db2.gz WNMBWXKKQZHHGS-MRXNPFEDSA-N 0 0 345.447 1.863 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000121395951 442212073 /nfs/dbraw/zinc/21/20/73/442212073.db2.gz YUHLXAYRXSLYOB-INIZCTEOSA-N 0 0 348.443 1.636 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(F)cc1 ZINC000152465747 442216178 /nfs/dbraw/zinc/21/61/78/442216178.db2.gz SKFCLPSLGMYNSH-CYBMUJFWSA-N 0 0 333.367 1.898 10 0 EDAERN C[C@@H](CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)Cn1ccnc1 ZINC000176384644 442216980 /nfs/dbraw/zinc/21/69/80/442216980.db2.gz ZXXWNSSQSQYEEL-KBPBESRZSA-N 0 0 336.436 1.892 10 0 EDAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000127683257 442219786 /nfs/dbraw/zinc/21/97/86/442219786.db2.gz IPHWFKGTHWKPGW-UTUOFQBUSA-N 0 0 335.433 1.466 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ncccc1O ZINC000176522818 442230730 /nfs/dbraw/zinc/23/07/30/442230730.db2.gz BXIUCJHGNUXGKL-CYBMUJFWSA-N 0 0 347.440 1.994 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cncc(O)c1 ZINC000176538681 442232285 /nfs/dbraw/zinc/23/22/85/442232285.db2.gz LDUZCLZAMBYFAT-OAHLLOKOSA-N 0 0 347.440 1.994 10 0 EDAERN Cc1c(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cnn1C ZINC000152630786 442232343 /nfs/dbraw/zinc/23/23/43/442232343.db2.gz UDJSEHCYOUSPGG-BBRMVZONSA-N 0 0 339.461 1.543 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccc3c(c2)COC3)cn1 ZINC000127936706 442234359 /nfs/dbraw/zinc/23/43/59/442234359.db2.gz PWEVTFXHBPJGKJ-MRXNPFEDSA-N 0 0 340.383 1.753 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCOC2)N2CCOCC2)s1 ZINC000176567984 442235523 /nfs/dbraw/zinc/23/55/23/442235523.db2.gz BSTHAPHCWKYNSD-HUUCEWRRSA-N 0 0 338.473 1.973 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)c2cnns2)c2cccs2)CCO1 ZINC000176601309 442238792 /nfs/dbraw/zinc/23/87/92/442238792.db2.gz FKGHJTYEYJTZAG-MNOVXSKESA-N 0 0 338.458 1.791 10 0 EDAERN Cc1nc(-c2ccco2)ccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128131056 442247768 /nfs/dbraw/zinc/24/77/68/442247768.db2.gz RKVANUJQGVNTAN-CQSZACIVSA-N 0 0 345.399 1.073 10 0 EDAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000170683901 442248122 /nfs/dbraw/zinc/24/81/22/442248122.db2.gz RLCXDCXNQODPTL-MRVWCRGKSA-N 0 0 349.406 1.481 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000170807991 442267240 /nfs/dbraw/zinc/26/72/40/442267240.db2.gz IZNDSZZSGVPNMG-SWLSCSKDSA-N 0 0 340.445 1.909 10 0 EDAERN COCc1nsc(N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)n1 ZINC000176943290 442275974 /nfs/dbraw/zinc/27/59/74/442275974.db2.gz FEFJNPTXQLQVGI-SNVBAGLBSA-N 0 0 336.421 1.334 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000176996398 442282102 /nfs/dbraw/zinc/28/21/02/442282102.db2.gz WHEWXUOQOPRIHP-JSGCOSHPSA-N 0 0 344.864 1.681 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)Cn3c(C)cc(O)cc3=O)C2)c1 ZINC000128725222 442283975 /nfs/dbraw/zinc/28/39/75/442283975.db2.gz XWTNGIVOBGYRLJ-AWEZNQCLSA-N 0 0 330.388 1.231 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)NCCCSC)CC2)n1 ZINC000153492470 442285243 /nfs/dbraw/zinc/28/52/43/442285243.db2.gz VBWNBGOKHUPKNS-LBPRGKRZSA-N 0 0 341.481 1.773 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCCNC(=O)C3CCC3)C2)cn1 ZINC000177021255 442286351 /nfs/dbraw/zinc/28/63/51/442286351.db2.gz ARHHPMFJCQFWCC-AWEZNQCLSA-N 0 0 333.436 1.225 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3cnc(C(C)(C)C)nc3)CCO2)[nH]1 ZINC000177055058 442291277 /nfs/dbraw/zinc/29/12/77/442291277.db2.gz CZUIMEPRNIMVLJ-GFCCVEGCSA-N 0 0 345.407 1.806 10 0 EDAERN O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)NC(=O)NCC(F)(F)F ZINC000177074990 442293785 /nfs/dbraw/zinc/29/37/85/442293785.db2.gz BFJCOSPLJYZNCG-NSHDSACASA-N 0 0 347.341 1.715 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000128962878 442296406 /nfs/dbraw/zinc/29/64/06/442296406.db2.gz FIAHLNPANSCZSA-CQSZACIVSA-N 0 0 349.479 1.161 10 0 EDAERN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000129033443 442298998 /nfs/dbraw/zinc/29/89/98/442298998.db2.gz QWNBMZKLWRVCDM-HNNXBMFYSA-N 0 0 347.390 1.105 10 0 EDAERN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000129122917 442301897 /nfs/dbraw/zinc/30/18/97/442301897.db2.gz MLCFHBDZOWHYCN-CJNGLKHVSA-N 0 0 332.400 1.973 10 0 EDAERN C[C@@H](NC(=O)c1cccc2c[nH]nc21)c1ccc(S(N)(=O)=O)cc1 ZINC000128318024 442259505 /nfs/dbraw/zinc/25/95/05/442259505.db2.gz HZETWGRYUMSZLF-SNVBAGLBSA-N 0 0 344.396 1.701 10 0 EDAERN CC(=O)c1ccc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000177280054 442324476 /nfs/dbraw/zinc/32/44/76/442324476.db2.gz AXRAVAGNBRARQX-KDOFPFPSSA-N 0 0 345.443 1.480 10 0 EDAERN COc1cccc([C@@H](O)CNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177308050 442326932 /nfs/dbraw/zinc/32/69/32/442326932.db2.gz HVRBRTMDBHBTQI-KBPBESRZSA-N 0 0 331.376 1.154 10 0 EDAERN O=C(NCC1CC1)[C@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177325845 442328437 /nfs/dbraw/zinc/32/84/37/442328437.db2.gz IBYXZRLCKFHGCK-KBPBESRZSA-N 0 0 346.435 1.061 10 0 EDAERN O=C(NCCc1ccc2c(c1)OCO2)N[C@H]1CCCn2ncnc21 ZINC000177345119 442330529 /nfs/dbraw/zinc/33/05/29/442330529.db2.gz DYVKEYSQYPCVTC-LBPRGKRZSA-N 0 0 329.360 1.384 10 0 EDAERN O=C(NCc1cnn(-c2ccccc2)c1)N[C@H]1CCCn2ncnc21 ZINC000177373886 442332951 /nfs/dbraw/zinc/33/29/51/442332951.db2.gz WQSDSVWVBSETEK-HNNXBMFYSA-N 0 0 337.387 1.798 10 0 EDAERN O=C(NCCCOC[C@@H]1CCCO1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177369031 442333074 /nfs/dbraw/zinc/33/30/74/442333074.db2.gz QLEDWKGYIVLJBU-CVEARBPZSA-N 0 0 336.436 1.643 10 0 EDAERN O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177387684 442335462 /nfs/dbraw/zinc/33/54/62/442335462.db2.gz CBRDAEVNFDKENN-SNVBAGLBSA-N 0 0 341.333 1.739 10 0 EDAERN C[C@@H](SC[C@@H](O)CO)C(=O)Nc1cccc(Br)c1 ZINC000177413695 442338403 /nfs/dbraw/zinc/33/84/03/442338403.db2.gz QCYCGWHPOQIFNT-KCJUWKMLSA-N 0 0 334.235 1.863 10 0 EDAERN O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000154425818 442338635 /nfs/dbraw/zinc/33/86/35/442338635.db2.gz KBADJMLAROGUPJ-CHWSQXEVSA-N 0 0 334.372 1.233 10 0 EDAERN CCOCCCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000154643098 442349613 /nfs/dbraw/zinc/34/96/13/442349613.db2.gz NNNRCVYRNQWNDD-HIFRSBDPSA-N 0 0 326.437 1.335 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccn(C)n3)C2)n1 ZINC000177517233 442352520 /nfs/dbraw/zinc/35/25/20/442352520.db2.gz RSTZNBHGCSPOKI-NSHDSACASA-N 0 0 347.444 1.784 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1ncc(C)s1)CC2 ZINC000177524421 442352908 /nfs/dbraw/zinc/35/29/08/442352908.db2.gz YWMKLKVZKDCCIH-WDEREUQCSA-N 0 0 334.449 1.981 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCCn4ncnc43)cn2)n1 ZINC000177526548 442353169 /nfs/dbraw/zinc/35/31/69/442353169.db2.gz FMGTVLTVZQTJHK-CQSZACIVSA-N 0 0 337.387 1.741 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000177173831 442309348 /nfs/dbraw/zinc/30/93/48/442309348.db2.gz LFBZCOFSXSWURU-NVXWUHKLSA-N 0 0 339.395 1.964 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000177189865 442311593 /nfs/dbraw/zinc/31/15/93/442311593.db2.gz LDEZVNKTUBHNDE-MRXNPFEDSA-N 0 0 341.415 1.665 10 0 EDAERN CC(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177624697 442364067 /nfs/dbraw/zinc/36/40/67/442364067.db2.gz OWZFCMSZLOMYRS-CQSZACIVSA-N 0 0 327.388 1.471 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCN(C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000171801302 442382495 /nfs/dbraw/zinc/38/24/95/442382495.db2.gz BTQOIRBLMWVZGS-HKUYNNGSSA-N 0 0 341.455 1.903 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1ccccc1 ZINC000155415912 442396829 /nfs/dbraw/zinc/39/68/29/442396829.db2.gz JRSNSOXWMVHAQF-JSGCOSHPSA-N 0 0 330.388 1.843 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)c3cnn(C)c3)CCCC2)no1 ZINC000177607301 442361920 /nfs/dbraw/zinc/36/19/20/442361920.db2.gz LCRPGPHSGYRXAH-UHFFFAOYSA-N 0 0 325.394 1.113 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NCCCOC1CCCCC1 ZINC000171619541 442363117 /nfs/dbraw/zinc/36/31/17/442363117.db2.gz IQMMOQZOSXXKOP-MRXNPFEDSA-N 0 0 349.479 1.771 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Cc3cc(C)on3)CC2)n1 ZINC000172136097 442413498 /nfs/dbraw/zinc/41/34/98/442413498.db2.gz WKCLCFSBSAQCAU-GFCCVEGCSA-N 0 0 333.392 1.376 10 0 EDAERN CC(C)S(=O)(=O)CCN(C)C1CCN(CCn2cccn2)CC1 ZINC000178223059 442416966 /nfs/dbraw/zinc/41/69/66/442416966.db2.gz OKHPAPVAYLEQFI-UHFFFAOYSA-N 0 0 342.509 1.103 10 0 EDAERN CCc1nnc([C@H]2CN(S(=O)(=O)CC3CCCC3)CCO2)[nH]1 ZINC000178354399 442426728 /nfs/dbraw/zinc/42/67/28/442426728.db2.gz OTMKZJFNCJTLNR-GFCCVEGCSA-N 0 0 328.438 1.260 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccc(C)o3)n[nH]1)CC2 ZINC000172255102 442431217 /nfs/dbraw/zinc/43/12/17/442431217.db2.gz OBXATMYUWWBHMG-LLVKDONJSA-N 0 0 340.387 1.877 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)CCO2)c1 ZINC000155915228 442436515 /nfs/dbraw/zinc/43/65/15/442436515.db2.gz RELSWGLYDZRMAC-CJNGLKHVSA-N 0 0 345.447 1.953 10 0 EDAERN COc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000156003242 442441756 /nfs/dbraw/zinc/44/17/56/442441756.db2.gz TYHJPNHHRWUGAI-LLVKDONJSA-N 0 0 347.350 1.228 10 0 EDAERN CCOc1cc(C(=O)N(C)C)ccc1NCc1nnnn1C(C)C ZINC000178553932 442443366 /nfs/dbraw/zinc/44/33/66/442443366.db2.gz LRTMAOHAYMAVFJ-UHFFFAOYSA-N 0 0 332.408 1.967 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000178571310 442444457 /nfs/dbraw/zinc/44/44/57/442444457.db2.gz IUKZNIREFZFHRI-NEPJUHHUSA-N 0 0 336.440 1.279 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000186207355 442487319 /nfs/dbraw/zinc/48/73/19/442487319.db2.gz WUEIXRUXJHXGFW-CYBMUJFWSA-N 0 0 347.419 1.743 10 0 EDAERN CN(C(=O)CCc1cscn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172435205 442460948 /nfs/dbraw/zinc/46/09/48/442460948.db2.gz NBCCQRHEIQHDSU-CQSZACIVSA-N 0 0 331.445 1.993 10 0 EDAERN C[C@H]1CC[C@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccccc21 ZINC000156326421 442467926 /nfs/dbraw/zinc/46/79/26/442467926.db2.gz HJEJOYLHPAPWTC-FZMZJTMJSA-N 0 0 330.388 1.476 10 0 EDAERN COc1ccc(CCCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172759527 442536195 /nfs/dbraw/zinc/53/61/95/442536195.db2.gz VIMOTJRHCXGMFN-QGZVFWFLSA-N 0 0 332.444 1.951 10 0 EDAERN CSCCCC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000134944936 442539443 /nfs/dbraw/zinc/53/94/43/442539443.db2.gz BFYAGEPBYGQIJG-UHFFFAOYSA-N 0 0 348.476 1.464 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)C1CC1 ZINC000157014462 442542440 /nfs/dbraw/zinc/54/24/40/442542440.db2.gz GGZKFADSDLSHGZ-GFCCVEGCSA-N 0 0 327.388 1.374 10 0 EDAERN CC[C@@H](C(=O)N1CCC(c2nncn2CC)CC1)N1CCCC1=O ZINC000172799377 442545341 /nfs/dbraw/zinc/54/53/41/442545341.db2.gz WHPVRXNWGHSVTR-AWEZNQCLSA-N 0 0 333.436 1.405 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)CCS(=O)(=O)CC(C)C)C1 ZINC000157073854 442547113 /nfs/dbraw/zinc/54/71/13/442547113.db2.gz IMBPLFLXNMTSKN-AWEZNQCLSA-N 0 0 346.493 1.355 10 0 EDAERN CCOC[C@@H](NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)C(C)C ZINC000191787346 442511003 /nfs/dbraw/zinc/51/10/03/442511003.db2.gz UXWUQWPDNTYQGJ-HZPDHXFCSA-N 0 0 338.452 1.663 10 0 EDAERN CCOC[C@H](NC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1)C(C)C ZINC000191808336 442515137 /nfs/dbraw/zinc/51/51/37/442515137.db2.gz HWPFLPTYCSBNSX-STQMWFEESA-N 0 0 339.440 1.511 10 0 EDAERN COc1cc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)ncn1 ZINC000156792461 442521079 /nfs/dbraw/zinc/52/10/79/442521079.db2.gz PJDMRKHUIZHKNW-UHFFFAOYSA-N 0 0 330.388 1.365 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@H](O)c1cccc(F)c1)CC2 ZINC000179991125 442526678 /nfs/dbraw/zinc/52/66/78/442526678.db2.gz BGMPGNWUMCLWOS-KBPBESRZSA-N 0 0 332.379 1.534 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000172747105 442531815 /nfs/dbraw/zinc/53/18/15/442531815.db2.gz LZAMWXTXKSPBGY-MRXNPFEDSA-N 0 0 331.416 1.582 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)Cn1nc2ccccn2c1=O ZINC000172952780 442571946 /nfs/dbraw/zinc/57/19/46/442571946.db2.gz TZTBVAXVQOGXOJ-CQSZACIVSA-N 0 0 340.383 1.218 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135247679 442572018 /nfs/dbraw/zinc/57/20/18/442572018.db2.gz RLDOPJNLZVZZEX-NSHDSACASA-N 0 0 335.433 1.414 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(OCCOC)cc1Cl)C(C)C ZINC000186607961 442572122 /nfs/dbraw/zinc/57/21/22/442572122.db2.gz OEQYDEXMZWXEEH-CQSZACIVSA-N 0 0 342.823 1.866 10 0 EDAERN O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1CCOc2ccccc21 ZINC000179113290 442575475 /nfs/dbraw/zinc/57/54/75/442575475.db2.gz NIEYWLFKFXMGSR-CQSZACIVSA-N 0 0 338.429 1.634 10 0 EDAERN C[S@](=O)c1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000135293364 442576518 /nfs/dbraw/zinc/57/65/18/442576518.db2.gz CQKZFMCMOLIVRZ-LFPIHBKWSA-N 0 0 344.440 1.613 10 0 EDAERN CC1(C)C[C@H](NC(=O)C(=O)Nc2cnns2)c2ccccc2O1 ZINC000192052699 442580245 /nfs/dbraw/zinc/58/02/45/442580245.db2.gz OUGABOUOUOZCIB-JTQLQIEISA-N 0 0 332.385 1.895 10 0 EDAERN CC(C)Cc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc(=O)[nH]1 ZINC000180378137 442589622 /nfs/dbraw/zinc/58/96/22/442589622.db2.gz RHIGTFGJVJBHTO-MRXNPFEDSA-N 0 0 344.415 1.723 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC[C@@H]1C(C)(C)O)CC2 ZINC000186762986 442607104 /nfs/dbraw/zinc/60/71/04/442607104.db2.gz QKVRRUPZDQSZEZ-QWHCGFSZSA-N 0 0 335.452 1.661 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccccc1OC(F)(F)F ZINC000180211758 442559676 /nfs/dbraw/zinc/55/96/76/442559676.db2.gz FJXGZUVXHUDFDE-VIFPVBQESA-N 0 0 326.278 1.922 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180246214 442565386 /nfs/dbraw/zinc/56/53/86/442565386.db2.gz APYCXEMNBUNWMJ-WMLDXEAASA-N 0 0 345.443 1.367 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cncc(Cl)n3)C2)n1 ZINC000192352589 442637751 /nfs/dbraw/zinc/63/77/51/442637751.db2.gz HNPXPYLWSMWKHG-GFCCVEGCSA-N 0 0 334.811 1.891 10 0 EDAERN C[C@H](NC(=O)c1cccc2c1oc(=O)n2C)c1nnc2n1CCCC2 ZINC000158092319 442645212 /nfs/dbraw/zinc/64/52/12/442645212.db2.gz WBNNXRCOTBCNEH-JTQLQIEISA-N 0 0 341.371 1.550 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CCOC[C@@H]3C)CC2)n1 ZINC000192530180 442658522 /nfs/dbraw/zinc/65/85/22/442658522.db2.gz WFMWDASIHIZTFA-ZFWWWQNUSA-N 0 0 348.447 1.505 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000192218962 442615298 /nfs/dbraw/zinc/61/52/98/442615298.db2.gz LCKYNLVTSBEYNS-OLXJLDBKSA-N 0 0 328.771 1.638 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173194182 442621518 /nfs/dbraw/zinc/62/15/18/442621518.db2.gz CXWVQRITJYKVPB-LBPRGKRZSA-N 0 0 331.351 1.528 10 0 EDAERN O=C(COCCOc1ccccc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179343300 442626102 /nfs/dbraw/zinc/62/61/02/442626102.db2.gz NNKRGOLVZZSNPV-OAHLLOKOSA-N 0 0 330.388 1.954 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCCC(=O)NC1CC1)CC2 ZINC000181482150 442699951 /nfs/dbraw/zinc/69/99/51/442699951.db2.gz VTQRZAIVTLKRAE-CYBMUJFWSA-N 0 0 348.451 1.074 10 0 EDAERN Cc1cnccc1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000187192992 442659625 /nfs/dbraw/zinc/65/96/25/442659625.db2.gz MJUFCMITYTWLSV-CQSZACIVSA-N 0 0 328.420 1.919 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187194172 442659927 /nfs/dbraw/zinc/65/99/27/442659927.db2.gz IJMAYRWMPYABBU-VXGBXAGGSA-N 0 0 337.424 1.516 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)CC2 ZINC000187191724 442659935 /nfs/dbraw/zinc/65/99/35/442659935.db2.gz WWWJQBSOACVQFI-STQMWFEESA-N 0 0 335.452 1.973 10 0 EDAERN Cc1nccc(CNC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)n1 ZINC000187295025 442667745 /nfs/dbraw/zinc/66/77/45/442667745.db2.gz YZNWHVBUVZGZCT-WCQYABFASA-N 0 0 338.383 1.749 10 0 EDAERN COCCN1CCN(C(=O)Cc2c[nH]c3cccc(OC)c23)C[C@@H]1C ZINC000181992430 442726001 /nfs/dbraw/zinc/72/60/01/442726001.db2.gz SKHOHYHHZQZNTQ-AWEZNQCLSA-N 0 0 345.443 1.898 10 0 EDAERN Cc1nc2sc3c(c2c(N2CCOC[C@@H]2C(N)=O)n1)CC[C@H](C)C3 ZINC000182032213 442729944 /nfs/dbraw/zinc/72/99/44/442729944.db2.gz WSFHGKWSHFZIEW-JOYOIKCWSA-N 0 0 346.456 1.815 10 0 EDAERN CN(Cc1nc[nH]n1)C(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000182044065 442730964 /nfs/dbraw/zinc/73/09/64/442730964.db2.gz VMLVQPSDOZFVLJ-INIZCTEOSA-N 0 0 337.424 1.943 10 0 EDAERN CCC[C@@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193343753 442734899 /nfs/dbraw/zinc/73/48/99/442734899.db2.gz BKKFWHIRBYKWGO-RCCFBDPRSA-N 0 0 332.444 1.886 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCC[C@@H]3CCCCO3)CCO2)[nH]1 ZINC000182184307 442743180 /nfs/dbraw/zinc/74/31/80/442743180.db2.gz BZVNFSOPXGQMNO-STQMWFEESA-N 0 0 337.424 1.409 10 0 EDAERN C[C@H](NC(=O)CCc1ccc(O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000193457512 442744594 /nfs/dbraw/zinc/74/45/94/442744594.db2.gz CBZDUSGCTOVZNZ-LBPRGKRZSA-N 0 0 348.424 1.850 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC2(CO)CCC2)[C@@H]1c1ccccc1 ZINC000182279845 442753102 /nfs/dbraw/zinc/75/31/02/442753102.db2.gz PDEBCCAMRXYCIB-WBVHZDCISA-N 0 0 330.428 1.875 10 0 EDAERN CCC(CC)(CO)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181755199 442714746 /nfs/dbraw/zinc/71/47/46/442714746.db2.gz RLQGGDKUTXYJRB-ZDUSSCGKSA-N 0 0 337.468 1.814 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccc3c(c2)CCO3)CC1 ZINC000181764123 442715064 /nfs/dbraw/zinc/71/50/64/442715064.db2.gz PBIHQHVSKUYNKN-KRWDZBQOSA-N 0 0 347.459 1.262 10 0 EDAERN CC[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)CN3C(C)=O)sc2C1 ZINC000188690324 442788434 /nfs/dbraw/zinc/78/84/34/442788434.db2.gz LQWMYGRAKYSFEZ-NQBHXWOUSA-N 0 0 337.445 1.578 10 0 EDAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccco3)CC2)cs1 ZINC000188693640 442790195 /nfs/dbraw/zinc/79/01/95/442790195.db2.gz ZFXJCTLVYIWFSR-UHFFFAOYSA-N 0 0 341.458 1.941 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCCN(C)c1ccccc1 ZINC000188725915 442797687 /nfs/dbraw/zinc/79/76/87/442797687.db2.gz CVJVWWXDFNHNBP-IAGOWNOFSA-N 0 0 333.432 1.001 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000188551193 442762542 /nfs/dbraw/zinc/76/25/42/442762542.db2.gz HJMLSYMENGWUOX-INIZCTEOSA-N 0 0 345.443 1.956 10 0 EDAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCS1 ZINC000182511933 442779004 /nfs/dbraw/zinc/77/90/04/442779004.db2.gz ANKDRJVBTNFIKE-TZMCWYRMSA-N 0 0 334.445 1.724 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000188873829 442832587 /nfs/dbraw/zinc/83/25/87/442832587.db2.gz CPUOKBBNPIGNQC-JTQLQIEISA-N 0 0 328.771 1.985 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)C1 ZINC000247076976 442833645 /nfs/dbraw/zinc/83/36/45/442833645.db2.gz OYFOVPNHXMWAOF-BZUAXINKSA-N 0 0 325.453 1.748 10 0 EDAERN CCOCCN1CCN(C(=O)c2nc3cccnc3s2)C[C@H]1C ZINC000193950078 442817239 /nfs/dbraw/zinc/81/72/39/442817239.db2.gz BILVHVOUPUKVJS-GFCCVEGCSA-N 0 0 334.445 1.874 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CCO1 ZINC000182754176 442819631 /nfs/dbraw/zinc/81/96/31/442819631.db2.gz ONPRQKTXYYUXBC-UHOFOFEASA-N 0 0 331.416 1.385 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000182793745 442826376 /nfs/dbraw/zinc/82/63/76/442826376.db2.gz YKXCPQYGMCUKQY-PSVOKBTDSA-N 0 0 334.445 2.000 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCOCCO ZINC000194041972 442835996 /nfs/dbraw/zinc/83/59/96/442835996.db2.gz IKHDHHQPZJAVAB-AWEZNQCLSA-N 0 0 342.823 1.220 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000188933201 442844632 /nfs/dbraw/zinc/84/46/32/442844632.db2.gz KSCDBJUDCUMWPO-CZUORRHYSA-N 0 0 334.416 1.585 10 0 EDAERN O=C(CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)NCC(F)(F)F ZINC000194191307 442859623 /nfs/dbraw/zinc/85/96/23/442859623.db2.gz CDKCDHRHDHTGBK-OCCSQVGLSA-N 0 0 344.333 1.949 10 0 EDAERN CC(=O)O[C@]1(C)[C@](C)([C@](C)(O)CO)O[C@@]2(C)OC(C)(C)O[C@@]12C ZINC000247949853 442874209 /nfs/dbraw/zinc/87/42/09/442874209.db2.gz JUCOWZOERKEZOP-DGADGQDISA-N 0 0 332.393 1.098 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000189098399 442877061 /nfs/dbraw/zinc/87/70/61/442877061.db2.gz XMGIASDPVJVDFW-QZTJIDSGSA-N 0 0 345.443 1.987 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]21 ZINC000248583993 442902905 /nfs/dbraw/zinc/90/29/05/442902905.db2.gz JFCFUXHXASXIIL-YNEHKIRRSA-N 0 0 349.435 1.499 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)NCCCCO)N2CCOCC2)s1 ZINC000194486470 442906155 /nfs/dbraw/zinc/90/61/55/442906155.db2.gz NWLMPUFWMPFQDJ-CQSZACIVSA-N 0 0 341.477 1.502 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000189294035 442914632 /nfs/dbraw/zinc/91/46/32/442914632.db2.gz IRLKLTACNMYJFO-SNVBAGLBSA-N 0 0 334.401 1.552 10 0 EDAERN CN1CCO[C@H](CNC(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000194602650 442920258 /nfs/dbraw/zinc/92/02/58/442920258.db2.gz AXLALUINBGOIJM-MRXNPFEDSA-N 0 0 336.407 1.321 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000194608524 442922630 /nfs/dbraw/zinc/92/26/30/442922630.db2.gz DPYROTYFMHFUKN-OAHLLOKOSA-N 0 0 334.807 1.586 10 0 EDAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194626019 442926563 /nfs/dbraw/zinc/92/65/63/442926563.db2.gz QCWUVAYCQSBWLQ-INIZCTEOSA-N 0 0 336.480 1.535 10 0 EDAERN CC(C)c1nnc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)n1C ZINC000194641659 442929930 /nfs/dbraw/zinc/92/99/30/442929930.db2.gz PSHWTWFADFJOHJ-UHFFFAOYSA-N 0 0 349.398 1.882 10 0 EDAERN Cn1c(CN2C(=O)N[C@](C)(c3cccs3)C2=O)nnc1C1CC1 ZINC000194686320 442936994 /nfs/dbraw/zinc/93/69/94/442936994.db2.gz OLWCTTLCQIOIMZ-OAHLLOKOSA-N 0 0 331.401 1.721 10 0 EDAERN O=C(Nc1ccon1)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000186192372 318549177 /nfs/dbraw/zinc/54/91/77/318549177.db2.gz KSKMRBCIUSDUMO-JTQLQIEISA-N 0 0 327.262 1.903 10 0 EDAERN CC(C)NC(=O)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189458191 442959203 /nfs/dbraw/zinc/95/92/03/442959203.db2.gz SRXGZSKDRONUKE-UHFFFAOYSA-N 0 0 329.400 1.175 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)Nc3ccncc3F)CC2)cn1 ZINC000184118085 442993045 /nfs/dbraw/zinc/99/30/45/442993045.db2.gz GNAUZAVEZMATKF-UHFFFAOYSA-N 0 0 332.383 1.694 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@@H](O)C2(C)C)[C@H]1c1ccccc1 ZINC000250111484 443010303 /nfs/dbraw/zinc/01/03/03/443010303.db2.gz SXPDAYQPSLEZCJ-KLZNWCGWSA-N 0 0 330.428 1.872 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000195406779 443015814 /nfs/dbraw/zinc/01/58/14/443015814.db2.gz JIPKMTIFOMXCEP-HNNXBMFYSA-N 0 0 346.427 1.908 10 0 EDAERN CCO[C@@H]1C[C@](NCc2nnc(C3CC3)n2C)(C(=O)OC)C1(C)C ZINC000189824685 443016532 /nfs/dbraw/zinc/01/65/32/443016532.db2.gz YTPKWDGSAHYADX-PXAZEXFGSA-N 0 0 336.436 1.529 10 0 EDAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000184455641 443022773 /nfs/dbraw/zinc/02/27/73/443022773.db2.gz DEKGNWJREPQFME-KWQFWETISA-N 0 0 328.365 1.082 10 0 EDAERN CCN1CN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1=O ZINC000190028783 443049344 /nfs/dbraw/zinc/04/93/44/443049344.db2.gz NHIZOHQRPAUOPJ-GFCCVEGCSA-N 0 0 329.322 1.991 10 0 EDAERN CC(C)c1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c(=O)[nH]1 ZINC000223324617 443088125 /nfs/dbraw/zinc/08/81/25/443088125.db2.gz QZULEIQOQQGAPP-IJGSQOGDSA-N 0 0 344.415 1.474 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000184707000 443063494 /nfs/dbraw/zinc/06/34/94/443063494.db2.gz IDIVHGLWDXVZPS-GDBMZVCRSA-N 0 0 333.432 1.608 10 0 EDAERN CCOC(=O)C(C#N)=NNc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000254420865 443075790 /nfs/dbraw/zinc/07/57/90/443075790.db2.gz YFPLJLCFJJOKFN-UHFFFAOYSA-N 0 0 333.300 1.114 10 0 EDAERN Cc1noc([C@H]2COCCN2C[C@H](O)COc2cccc(C)c2)n1 ZINC000185082561 443133095 /nfs/dbraw/zinc/13/30/95/443133095.db2.gz BLAHOUVLSFKJPJ-GOEBONIOSA-N 0 0 333.388 1.500 10 0 EDAERN CCCOc1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)c(C)c1 ZINC000190546449 443133298 /nfs/dbraw/zinc/13/32/98/443133298.db2.gz IJRXYFUXJFLKPH-KRWDZBQOSA-N 0 0 335.448 1.914 10 0 EDAERN COCCC(=O)Nc1ncc(Br)nc1Br ZINC000234628463 443137918 /nfs/dbraw/zinc/13/79/18/443137918.db2.gz XWRSXOFZQMMZDC-UHFFFAOYSA-N 0 0 338.987 1.977 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC(c2ccncc2)CC1 ZINC000190457848 443112424 /nfs/dbraw/zinc/11/24/24/443112424.db2.gz WUUANORPPJCNJH-HNNXBMFYSA-N 0 0 326.404 1.577 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C1CC1 ZINC000190455646 443112462 /nfs/dbraw/zinc/11/24/62/443112462.db2.gz GTDCSNYNDFOBJX-QMMMGPOBSA-N 0 0 344.820 1.597 10 0 EDAERN Cn1cc(-c2cc(CN3CCO[C@H](Cn4cccn4)C3)on2)cn1 ZINC000184999677 443114231 /nfs/dbraw/zinc/11/42/31/443114231.db2.gz FJBBFTVXDDTNAA-HNNXBMFYSA-N 0 0 328.376 1.173 10 0 EDAERN Cc1nc(C(=O)N2CCC(N3CC(F)(F)C[C@H]3CO)CC2)co1 ZINC000257183931 443118530 /nfs/dbraw/zinc/11/85/30/443118530.db2.gz IANJIBXTYZYWST-LBPRGKRZSA-N 0 0 329.347 1.290 10 0 EDAERN O=C(Cn1c(=O)oc2ccccc21)N1CCCCCCNC(=O)CC1 ZINC000257181975 443118854 /nfs/dbraw/zinc/11/88/54/443118854.db2.gz OGGUNKXTTMGNMQ-UHFFFAOYSA-N 0 0 345.399 1.503 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000185043802 443124762 /nfs/dbraw/zinc/12/47/62/443124762.db2.gz GVWMLCGYSFZZNJ-HNNXBMFYSA-N 0 0 337.395 1.317 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000185043820 443124915 /nfs/dbraw/zinc/12/49/15/443124915.db2.gz GVWMLCGYSFZZNJ-OAHLLOKOSA-N 0 0 337.395 1.317 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000185220334 443164030 /nfs/dbraw/zinc/16/40/30/443164030.db2.gz DYUJJYOBGPHJQS-IAGOWNOFSA-N 0 0 330.428 1.887 10 0 EDAERN O=C(Nc1cc(F)cc(F)c1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190757687 443177532 /nfs/dbraw/zinc/17/75/32/443177532.db2.gz FYIRHCXBEFQPSD-CQSZACIVSA-N 0 0 334.326 1.791 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)N(C)Cc3cccs3)CCO2)cn1 ZINC000190758225 443177976 /nfs/dbraw/zinc/17/79/76/443177976.db2.gz SQCZYVCZCVJULT-MRXNPFEDSA-N 0 0 348.472 1.996 10 0 EDAERN CCn1cc([C@@H]2CN(Cc3nnnn3-c3ccccc3)CCO2)cn1 ZINC000190786471 443183593 /nfs/dbraw/zinc/18/35/93/443183593.db2.gz HDRISCKCRRFJPL-INIZCTEOSA-N 0 0 339.403 1.452 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)C[C@@H]1C ZINC000245484881 443230912 /nfs/dbraw/zinc/23/09/12/443230912.db2.gz IGMPGQQYAMESPQ-VBQJREDUSA-N 0 0 327.469 1.552 10 0 EDAERN CCc1nnc(CN[C@H](C)c2ccc(OCC(=O)OC)cc2)n1C ZINC000185654550 443233434 /nfs/dbraw/zinc/23/34/34/443233434.db2.gz YXTRVWTXOQXZJQ-GFCCVEGCSA-N 0 0 332.404 1.780 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(Cc3nnnn3CC(F)(F)F)C2)no1 ZINC000190862478 443199398 /nfs/dbraw/zinc/19/93/98/443199398.db2.gz PRNBHQDDXOFJBF-JTQLQIEISA-N 0 0 345.329 1.382 10 0 EDAERN COc1c(CNC2CN(C(=O)OCc3ccccc3)C2)c(C)nn1C ZINC000397263247 319133822 /nfs/dbraw/zinc/13/38/22/319133822.db2.gz KTQOWTXXOPROEW-UHFFFAOYSA-N 0 0 344.415 1.848 10 0 EDAERN O[C@H](Cn1cnc2c1ncnc2N1CCOCC1)C1CCCCC1 ZINC000191345676 443281970 /nfs/dbraw/zinc/28/19/70/443281970.db2.gz LHZNCQNYQYQTQI-CQSZACIVSA-N 0 0 331.420 1.604 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191376731 443286776 /nfs/dbraw/zinc/28/67/76/443286776.db2.gz NMWYIWAYMHIUTN-JTQLQIEISA-N 0 0 325.796 1.769 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2c(C)oc3ccccc32)C1 ZINC000185822617 443263658 /nfs/dbraw/zinc/26/36/58/443263658.db2.gz PJNHJTYLBKABLK-UHFFFAOYSA-N 0 0 331.372 1.398 10 0 EDAERN CCOc1cc(/C=C\C(=O)N2CC(NC(=O)C3CC3)C2)ccc1O ZINC000492663600 320382082 /nfs/dbraw/zinc/38/20/82/320382082.db2.gz QBCDXIPKCRVKEP-YWEYNIOJSA-N 0 0 330.384 1.541 10 0 EDAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@H](Nc3ccc(N)nc3)CC2)C1 ZINC000328630950 444403847 /nfs/dbraw/zinc/40/38/47/444403847.db2.gz JYHPPUJGVUOESI-GJZGRUSLSA-N 0 0 345.447 1.325 10 0 EDAERN CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCc2nc(C)no2)n1C ZINC000328633034 444404124 /nfs/dbraw/zinc/40/41/24/444404124.db2.gz SHMLCIKSRTUKJN-CQSZACIVSA-N 0 0 345.403 1.720 10 0 EDAERN Cc1ncccc1O[C@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000328640160 444409131 /nfs/dbraw/zinc/40/91/31/444409131.db2.gz XFTQUJXOPQITJM-CABCVRRESA-N 0 0 340.445 1.742 10 0 EDAERN Cc1cc(C)n2c(CN3CCC[C@@H]3c3nc(C(N)=O)no3)cnc2n1 ZINC000328653840 444416311 /nfs/dbraw/zinc/41/63/11/444416311.db2.gz XAIYLBGHVXXFNZ-GFCCVEGCSA-N 0 0 341.375 1.165 10 0 EDAERN Cc1noc([C@H]2C[C@H](O)CN2Cc2cn3c(n2)nc(C)cc3C)n1 ZINC000328617415 444396048 /nfs/dbraw/zinc/39/60/48/444396048.db2.gz CSEZNVRKZKQOGR-UONOGXRCSA-N 0 0 328.376 1.345 10 0 EDAERN Cc1nnc(CN(C)[C@@H]2CN(Cc3ccc([C@@H]4C[C@@H]4C)o3)C[C@H]2O)o1 ZINC000328628825 444401575 /nfs/dbraw/zinc/40/15/75/444401575.db2.gz HPBWWOJEWBCRTM-AEAUEXCSSA-N 0 0 346.431 1.772 10 0 EDAERN Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](C)O[C@@H](c2nc(C3CC3)no2)C1 ZINC000623173596 450433969 /nfs/dbraw/zinc/43/39/69/450433969.db2.gz VJEZMPIBCXIJOQ-YMTOWFKASA-N 0 0 345.403 1.818 10 0 EDAERN COC(=O)Cc1cc([N+](=O)[O-])cc(N)c1I ZINC000575641483 447879359 /nfs/dbraw/zinc/87/93/59/447879359.db2.gz VITJKASGNYUZLD-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000583616298 448442652 /nfs/dbraw/zinc/44/26/52/448442652.db2.gz CZFAXROQSYMJKT-OAGGEKHMSA-N 0 0 325.430 1.546 10 0 EDAERN O=C(CCOc1ccccc1F)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617782 448445256 /nfs/dbraw/zinc/44/52/56/448445256.db2.gz ROPNQRDZUYXPEA-INIZCTEOSA-N 0 0 334.351 1.223 10 0 EDAERN CC(C)Oc1ccccc1C(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583619039 448448591 /nfs/dbraw/zinc/44/85/91/448448591.db2.gz ZAGZMEXAYRDLDB-QGZVFWFLSA-N 0 0 330.388 1.716 10 0 EDAERN CO[C@H](C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000583623118 448452672 /nfs/dbraw/zinc/45/26/72/448452672.db2.gz OMFGTDGECMFZHI-RDBSUJKOSA-N 0 0 326.416 1.216 10 0 EDAERN CCOC(=O)[C@@H](O)/C(=C\c1cccc(Br)c1)[N+](=O)[O-] ZINC000584604594 448584234 /nfs/dbraw/zinc/58/42/34/448584234.db2.gz ZHPBXDHPOUYGKL-HUYFXPKMSA-N 0 0 330.134 1.991 10 0 EDAERN CC(=O)c1ccc(-c2cnc(N)c(C(=O)NCC(C)(C)CO)n2)s1 ZINC000584662228 448590519 /nfs/dbraw/zinc/59/05/19/448590519.db2.gz TUXAMCDMAPDQSP-UHFFFAOYSA-N 0 0 348.428 1.738 10 0 EDAERN Cc1ccc(Br)c(C(=O)NC[C@@H]2CC(=O)N(C)C2)c1 ZINC000619002194 450372051 /nfs/dbraw/zinc/37/20/51/450372051.db2.gz RNOCIXULLDHMAF-JTQLQIEISA-N 0 0 325.206 1.966 10 0 EDAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1cc(Cl)sc1Cl ZINC000625597999 450444229 /nfs/dbraw/zinc/44/42/29/450444229.db2.gz PWEXGCNTNDBULY-WDSKDSINSA-N 0 0 332.230 1.483 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN[C@H](c2cccc(CCO)c2)C1 ZINC000616601757 450454876 /nfs/dbraw/zinc/45/48/76/450454876.db2.gz ITRUFIFWHMUGKJ-SFHVURJKSA-N 0 0 346.452 1.557 10 0 EDAERN NC(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1 ZINC000616643901 450456829 /nfs/dbraw/zinc/45/68/29/450456829.db2.gz HHVZPJHWILLQJI-INIZCTEOSA-N 0 0 346.408 1.548 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCCOC[C@@H]1OC(F)(F)F ZINC000616649716 450457978 /nfs/dbraw/zinc/45/79/78/450457978.db2.gz WYOSFUGFXGBPTO-NSHDSACASA-N 0 0 325.308 1.960 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CCN(S(N)(=O)=O)c2ccccc21 ZINC000616675179 450459610 /nfs/dbraw/zinc/45/96/10/450459610.db2.gz KMEURXLDXOHUDT-LLVKDONJSA-N 0 0 341.433 1.709 10 0 EDAERN Cn1cc(O[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]2O)cn1 ZINC000624423073 450844893 /nfs/dbraw/zinc/84/48/93/450844893.db2.gz RUXSTXILDAFCBN-VXGBXAGGSA-N 0 0 328.294 1.462 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)N2CCc3ccccc32)C1 ZINC000643860053 452754850 /nfs/dbraw/zinc/75/48/50/452754850.db2.gz ZDNSEPLAQRROQH-ZBFHGGJFSA-N 0 0 326.400 1.761 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)NCC1(c2cccc(F)c2)CC1 ZINC000644367092 453359042 /nfs/dbraw/zinc/35/90/42/453359042.db2.gz SZEYPJTVJQFMTI-OAHLLOKOSA-N 0 0 334.391 1.347 10 0 EDAERN C[C@]1(CNC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCCO1 ZINC000133201973 491220182 /nfs/dbraw/zinc/22/01/82/491220182.db2.gz UNAATIPAVZFDGP-PKOBYXMFSA-N 0 0 347.459 1.274 10 0 EDAERN Cc1c(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cnn1C ZINC000126124492 491013830 /nfs/dbraw/zinc/01/38/30/491013830.db2.gz JCJPNXWWWKAXNG-GFCCVEGCSA-N 0 0 349.456 1.942 10 0 EDAERN Cc1cc(F)ccc1CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000132658237 533869556 /nfs/dbraw/zinc/86/95/56/533869556.db2.gz JMPAXWLAWGCGLZ-QGZVFWFLSA-N 0 0 346.406 1.984 10 0 EDAERN C[C@@H](CNC(=O)c1cc(OCC(F)F)ccn1)N1CCOCC1 ZINC000181337987 534034949 /nfs/dbraw/zinc/03/49/49/534034949.db2.gz PCSHCEVPOODYLF-NSHDSACASA-N 0 0 329.347 1.176 10 0 EDAERN C[C@@H](C[S@@](C)=O)NS(=O)(=O)CCSc1cccc(N)c1 ZINC000168715486 534219613 /nfs/dbraw/zinc/21/96/13/534219613.db2.gz CMQRHGOCGVWBPR-OVWNDWIMSA-N 0 0 336.504 1.047 10 0 EDAERN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000168701096 534220250 /nfs/dbraw/zinc/22/02/50/534220250.db2.gz ISCXMNBHBKAJTG-QQOXFEPMSA-N 0 0 328.818 1.107 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000168696768 534229280 /nfs/dbraw/zinc/22/92/80/534229280.db2.gz PKGHFQYGIMKYFA-AHGSNSTDSA-N 0 0 345.273 1.621 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000155750372 534283184 /nfs/dbraw/zinc/28/31/84/534283184.db2.gz HCCBDTDAJCRSJZ-LBPRGKRZSA-N 0 0 344.289 1.597 10 0 EDAERN O=C(CCN1C(=O)CCC1=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000154425628 534393246 /nfs/dbraw/zinc/39/32/46/534393246.db2.gz KBADJMLAROGUPJ-QWHCGFSZSA-N 0 0 334.372 1.233 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)no1 ZINC000171485970 534412020 /nfs/dbraw/zinc/41/20/20/534412020.db2.gz GZAKYIAUZSTJDI-CQSZACIVSA-N 0 0 342.399 1.589 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCc3ccccn3)C2)no1 ZINC000171530006 534413215 /nfs/dbraw/zinc/41/32/15/534413215.db2.gz RTOQAYXJTHKRDX-CQSZACIVSA-N 0 0 329.404 1.980 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)no1 ZINC000171336451 534414011 /nfs/dbraw/zinc/41/40/11/534414011.db2.gz NIZRALDGGJOBTN-LLVKDONJSA-N 0 0 326.360 1.744 10 0 EDAERN O=C(NCCn1ccnc1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000132269245 534520209 /nfs/dbraw/zinc/52/02/09/534520209.db2.gz XXWLKJCJDKTEEB-IUODEOHRSA-N 0 0 336.342 1.679 10 0 EDAERN O=C(c1cccc(I)c1)N1CCO[C@@H](CO)C1 ZINC000168048354 534738066 /nfs/dbraw/zinc/73/80/66/534738066.db2.gz DUMMJJKJYVJVAF-LLVKDONJSA-N 0 0 347.152 1.125 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000184119991 534743176 /nfs/dbraw/zinc/74/31/76/534743176.db2.gz OUEWFDQTOQGXKG-HNNXBMFYSA-N 0 0 336.436 1.955 10 0 EDAERN Nc1cnc(NC(=O)[C@H]2CCCCS2(=O)=O)c(Br)c1 ZINC000167850142 534744996 /nfs/dbraw/zinc/74/49/96/534744996.db2.gz SLDDLTKZSDZBDQ-SECBINFHSA-N 0 0 348.222 1.332 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(OC(F)(F)F)c1 ZINC000154558827 534779305 /nfs/dbraw/zinc/77/93/05/534779305.db2.gz XGBBDZRBMNVUIE-SNVBAGLBSA-N 0 0 326.278 1.922 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000247872381 534797071 /nfs/dbraw/zinc/79/70/71/534797071.db2.gz XUXBDIRCBIGLKS-NWDGAFQWSA-N 0 0 335.448 1.404 10 0 EDAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCc2c1cccc2F ZINC000184058028 534852171 /nfs/dbraw/zinc/85/21/71/534852171.db2.gz TVMRZQWIKAMZBO-LBPRGKRZSA-N 0 0 340.354 1.845 10 0 EDAERN CC(=O)C(=C(C)O)N1c2nc(N)ccc2O[C@@H](c2ccccc2)C1=O ZINC000169879683 526386764 /nfs/dbraw/zinc/38/67/64/526386764.db2.gz AYYFEQMCQZBHQN-INIZCTEOSA-N 0 0 339.351 1.677 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cccc(-c3nnc(C)o3)c2)C1 ZINC000174680988 526899960 /nfs/dbraw/zinc/89/99/60/526899960.db2.gz ARPDUAXVGFLZOR-HNNXBMFYSA-N 0 0 328.372 1.786 10 0 EDAERN CC(=O)Nc1ccc(C)c(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000186825730 526950682 /nfs/dbraw/zinc/95/06/82/526950682.db2.gz GKNWIXZZUPMEPZ-MRXNPFEDSA-N 0 0 342.399 1.691 10 0 EDAERN CC(C)NC(=O)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000132215202 527721680 /nfs/dbraw/zinc/72/16/80/527721680.db2.gz NFABRKAYSOROOB-CQSZACIVSA-N 0 0 327.388 1.161 10 0 EDAERN CCN1CCO[C@H](CNc2nc3c(Br)cccn3n2)C1 ZINC000166095885 527738486 /nfs/dbraw/zinc/73/84/86/527738486.db2.gz ZGQPDNBWTYJCFT-SNVBAGLBSA-N 0 0 340.225 1.624 10 0 EDAERN CC(C)CCOc1ccc([C@@H](C)NC(=O)Cn2ncn(C)c2=O)cc1 ZINC000181293453 527781045 /nfs/dbraw/zinc/78/10/45/527781045.db2.gz ODMFWTNZQNEPJV-CQSZACIVSA-N 0 0 346.431 1.884 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)CC(C)(C)CC(=O)OC)C1 ZINC000136809199 527939513 /nfs/dbraw/zinc/93/95/13/527939513.db2.gz LMBLCOUCWDJMRM-CYBMUJFWSA-N 0 0 326.437 1.873 10 0 EDAERN CC(C)CNc1nc(N)c(C(=O)N[C@H](C)CC[S@](C)=O)s1 ZINC000163722032 528068863 /nfs/dbraw/zinc/06/88/63/528068863.db2.gz GQNMHIRJORZTIT-AOUSDQRYSA-N 0 0 332.495 1.680 10 0 EDAERN CC(C)c1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188014951 528109326 /nfs/dbraw/zinc/10/93/26/528109326.db2.gz AKRZVEABISGRCZ-UHFFFAOYSA-N 0 0 343.427 1.876 10 0 EDAERN CCC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1 ZINC000172312423 528430009 /nfs/dbraw/zinc/43/00/09/528430009.db2.gz XWQOCTKXEHMELQ-UHFFFAOYSA-N 0 0 343.387 1.295 10 0 EDAERN CCCCNC(=O)[C@@H](C)n1ncc(I)cc1=O ZINC000158582821 528525227 /nfs/dbraw/zinc/52/52/27/528525227.db2.gz UUOXXODOFWZJFD-MRVPVSSYSA-N 0 0 349.172 1.325 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000137896391 528840070 /nfs/dbraw/zinc/84/00/70/528840070.db2.gz GJGGURHPAQYZSX-UKRRQHHQSA-N 0 0 335.452 1.614 10 0 EDAERN CC(C)[C@@](C)(C[NH3+])Nc1nc[n-]c(=O)c1I ZINC000166128629 528859555 /nfs/dbraw/zinc/85/95/55/528859555.db2.gz KBFSPQWZJAHQFI-SNVBAGLBSA-N 0 0 336.177 1.160 10 0 EDAERN CCC1(CC)C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168904144 529032242 /nfs/dbraw/zinc/03/22/42/529032242.db2.gz GPGODBZESCCECC-UHFFFAOYSA-N 0 0 340.221 1.861 10 0 EDAERN CC(C)N1CCO[C@@H](CS(=O)(=O)c2cc(N)ccc2Cl)C1 ZINC000166388788 529051990 /nfs/dbraw/zinc/05/19/90/529051990.db2.gz KSCNUXYWXLPULI-GFCCVEGCSA-N 0 0 332.853 1.805 10 0 EDAERN CCN1CCN(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)C(=O)C1=O ZINC000181104388 529138743 /nfs/dbraw/zinc/13/87/43/529138743.db2.gz BJEKBSSAEVJNPK-GUYCJALGSA-N 0 0 343.427 1.035 10 0 EDAERN CC[C@H]1CCN(C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000130803731 529236817 /nfs/dbraw/zinc/23/68/17/529236817.db2.gz CAZCOFFYVXSHEA-UONOGXRCSA-N 0 0 332.452 1.929 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc(C(N)=O)c1)CC2 ZINC000195287896 535030300 /nfs/dbraw/zinc/03/03/00/535030300.db2.gz ZRKRVUNQYSIPCG-CYBMUJFWSA-N 0 0 327.388 1.245 10 0 EDAERN CC(C)n1nnnc1CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000195517253 535171470 /nfs/dbraw/zinc/17/14/70/535171470.db2.gz KZSPHJWEDNJBJD-VIFPVBQESA-N 0 0 341.466 1.989 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)Oc2cccnc2)C12CCOCC2 ZINC000187143104 535399983 /nfs/dbraw/zinc/39/99/83/535399983.db2.gz IVDMXJFCPPVYQH-FVQBIDKESA-N 0 0 334.416 1.939 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)n(C)n1 ZINC000093221238 535401912 /nfs/dbraw/zinc/40/19/12/535401912.db2.gz ABYOHRAFZCILMT-CQSZACIVSA-N 0 0 333.436 1.008 10 0 EDAERN CCOCCN1CCN(CC(=O)NCCc2ccccc2C)C[C@H]1C ZINC000247400586 535604047 /nfs/dbraw/zinc/60/40/47/535604047.db2.gz YIWSUXDJJYTTLQ-GOSISDBHSA-N 0 0 347.503 1.696 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000249078678 535781028 /nfs/dbraw/zinc/78/10/28/535781028.db2.gz BWURYLLYBIFFJF-HUUCEWRRSA-N 0 0 339.480 1.362 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000195222695 535812955 /nfs/dbraw/zinc/81/29/55/535812955.db2.gz JVJQWTOXTQMTFP-IXDOHACOSA-N 0 0 335.423 1.780 10 0 EDAERN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000074913084 536108448 /nfs/dbraw/zinc/10/84/48/536108448.db2.gz HXYBZUJIBNVQRJ-HNNXBMFYSA-N 0 0 346.408 1.800 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CCC[C@](C)(O)C2)cn1 ZINC000333037354 536946042 /nfs/dbraw/zinc/94/60/42/536946042.db2.gz NTLLTMCTQVHWGI-LXZKKBNFSA-N 0 0 335.404 1.477 10 0 EDAERN COc1ccccc1C(=O)NCC(=O)N[C@@H]1COc2ccccc21 ZINC000060482126 536995870 /nfs/dbraw/zinc/99/58/70/536995870.db2.gz IGQHNWVCANOIEJ-CQSZACIVSA-N 0 0 326.352 1.675 10 0 EDAERN CN1CCN(S(=O)(=O)/C=C\c2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000779885409 580501153 /nfs/dbraw/zinc/50/11/53/580501153.db2.gz WRVBSCNEKSZPEX-XCHKQJEOSA-N 0 0 332.429 1.699 10 0 EDAERN CN(C(=O)c1[nH]ccc1C1CC1)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888078267 590935630 /nfs/dbraw/zinc/93/56/30/590935630.db2.gz FKGAVCYRJOENHS-LSDHHAIUSA-N 0 0 330.388 1.544 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nc(CC(F)(F)F)no2)C1 ZINC000888079152 590936201 /nfs/dbraw/zinc/93/62/01/590936201.db2.gz FRQBLYYQKGFQQJ-RKDXNWHRSA-N 0 0 331.298 1.860 10 0 EDAERN Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079447 590936734 /nfs/dbraw/zinc/93/67/34/590936734.db2.gz JRKBEQFABWEGRU-ZMSDIMECSA-N 0 0 337.383 1.482 10 0 EDAERN CCN1CCO[C@@H](CNCc2cc(COC)on2)[C@@H]1c1ccnn1C ZINC000888102851 591030581 /nfs/dbraw/zinc/03/05/81/591030581.db2.gz QRLODEXDCFCPGP-IRXDYDNUSA-N 0 0 349.435 1.106 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(=O)NCc2ccco2)C1 ZINC000888102778 591030656 /nfs/dbraw/zinc/03/06/56/591030656.db2.gz LTFZADUJADFPFL-CABCVRRESA-N 0 0 332.404 1.698 10 0 EDAERN Cn1ccnc1[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C1CCOCC1 ZINC000897713933 591639263 /nfs/dbraw/zinc/63/92/63/591639263.db2.gz NDPQMHPDAKHVKC-LSDHHAIUSA-N 0 0 334.464 1.877 10 0 EDAERN COc1ccc(C[C@H](C)OC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000102969860 593118107 /nfs/dbraw/zinc/11/81/07/593118107.db2.gz NLDDGPVAOQYQHY-GXTWGEPZSA-N 0 0 326.414 1.994 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000105864321 595481405 /nfs/dbraw/zinc/48/14/05/595481405.db2.gz QMWNNXSYHJDSIS-LRDDRELGSA-N 0 0 334.395 1.929 10 0 EDAERN C[C@](O)(C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1ccc(Cl)cc1 ZINC000855080777 595594380 /nfs/dbraw/zinc/59/43/80/595594380.db2.gz CFOYUGZSPKCKEH-ORIJERBGSA-N 0 0 335.791 1.235 10 0 EDAERN CNc1nc(C)cc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)n1 ZINC000858008774 595684931 /nfs/dbraw/zinc/68/49/31/595684931.db2.gz YZIDCNJLSKLTJW-GXTWGEPZSA-N 0 0 344.419 1.458 10 0 EDAERN O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCOCC1 ZINC000109153516 595764584 /nfs/dbraw/zinc/76/45/84/595764584.db2.gz ZLJXSWQNWWZLGB-NWDGAFQWSA-N 0 0 325.311 1.470 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CN3C(=O)CC(C)(C)C3=O)CC2)n1 ZINC000112070718 596016402 /nfs/dbraw/zinc/01/64/02/596016402.db2.gz DZBGEWGWEBVUFV-GFCCVEGCSA-N 0 0 349.435 1.053 10 0 EDAERN O=C1[C@H](NS(=O)(=O)/C=C/c2ccccc2)CCN1CC(F)(F)F ZINC000112092461 596021982 /nfs/dbraw/zinc/02/19/82/596021982.db2.gz MIKWNSVAWPYREN-YPUOHESYSA-N 0 0 348.346 1.740 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CN3C(=O)C[C@@](C)(C(C)C)C3=O)CCO2)c1 ZINC000116868171 596150549 /nfs/dbraw/zinc/15/05/49/596150549.db2.gz VLWQCVJGBJFYBH-YJBOKZPZSA-N 0 0 348.447 1.271 10 0 EDAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3ccncc3Cl)C2)cc(=O)[nH]1 ZINC000864840188 596382559 /nfs/dbraw/zinc/38/25/59/596382559.db2.gz PTXNRMORZDVACB-SNVBAGLBSA-N 0 0 347.806 1.926 10 0 EDAERN CCn1[nH]c(C)nc1=NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000888523383 596683143 /nfs/dbraw/zinc/68/31/43/596683143.db2.gz LGANDLWOHCDMRP-JTQLQIEISA-N 0 0 331.376 1.682 10 0 EDAERN C[C@@H](O)c1ccn(CC(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000128675115 598021198 /nfs/dbraw/zinc/02/11/98/598021198.db2.gz BKWCUBUBMGEIOR-CYBMUJFWSA-N 0 0 330.388 1.412 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000155055925 697316558 /nfs/dbraw/zinc/31/65/58/697316558.db2.gz CZLNYGAHYPSEPS-IONNQARKSA-N 0 0 329.344 1.008 10 0 EDAERN C#CCC(C)(C)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000185354078 701667406 /nfs/dbraw/zinc/66/74/06/701667406.db2.gz SZNBWAUWSMBXCE-LBPRGKRZSA-N 0 0 348.424 1.706 10 0 EDAERN CC[C@H]1CN(CCOc2ccccc2C(=O)[O-])CC[N@@H+]1CCOC ZINC000183935087 702840605 /nfs/dbraw/zinc/84/06/05/702840605.db2.gz MKUHIFIKSZTITM-HNNXBMFYSA-N 0 0 336.432 1.806 10 0 EDAERN O=C(NNS(=O)(=O)/C=C\c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056705938 707794002 /nfs/dbraw/zinc/79/40/02/707794002.db2.gz GZIXOFUAZSBCCV-KTKRTIGZSA-N 0 0 347.352 1.830 10 0 EDAERN C[C@@H](O)c1cccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c1 ZINC000050351550 214053496 /nfs/dbraw/zinc/05/34/96/214053496.db2.gz VOFRGLHBVXTOLJ-SNVBAGLBSA-N 0 0 333.431 1.059 10 0 EDAERN Cc1nn(-c2ccc(S(=O)(=O)N(C)C)cc2N)c(C)c1Cl ZINC000050585665 214059822 /nfs/dbraw/zinc/05/98/22/214059822.db2.gz FNPZGZAHNGHZEE-UHFFFAOYSA-N 0 0 328.825 1.975 10 0 EDAERN CC[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050671255 214065822 /nfs/dbraw/zinc/06/58/22/214065822.db2.gz WDGQYUIGMLSHTI-ZJUUUORDSA-N 0 0 334.463 1.385 10 0 EDAERN CNC(=O)CCN1C(=O)C(=O)c2cc(Br)cc(C)c21 ZINC000051760440 214104195 /nfs/dbraw/zinc/10/41/95/214104195.db2.gz HMDQMJZWHPNJJR-UHFFFAOYSA-N 0 0 325.162 1.423 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC(=O)OCC2CC2)[C@@H]1c1ccc(F)cc1 ZINC000125761650 222605104 /nfs/dbraw/zinc/60/51/04/222605104.db2.gz MKFYEXIETBOIHM-PBHICJAKSA-N 0 0 348.374 1.415 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NC1(CO)CCCC1 ZINC000053044459 214160782 /nfs/dbraw/zinc/16/07/82/214160782.db2.gz PKQDBCBAWVGYLI-UHFFFAOYSA-N 0 0 349.250 1.615 10 0 EDAERN Cc1cc(N2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)no1 ZINC000062613113 214725023 /nfs/dbraw/zinc/72/50/23/214725023.db2.gz PQSJKMPSVQHESC-UHFFFAOYSA-N 0 0 335.429 1.943 10 0 EDAERN O=c1c(Br)c(Br)cnn1[C@H]1CCC[C@@H]1O ZINC000054599666 214245936 /nfs/dbraw/zinc/24/59/36/214245936.db2.gz VTSAVFLMQWMGKD-BQBZGAKWSA-N 0 0 337.999 1.854 10 0 EDAERN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000054523409 214241995 /nfs/dbraw/zinc/24/19/95/214241995.db2.gz VCKNOFALSSCVRI-LBPRGKRZSA-N 0 0 327.178 1.840 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1C[C@@H](C)O ZINC000174623010 529378622 /nfs/dbraw/zinc/37/86/22/529378622.db2.gz RTIUAADSFHLFJT-UKRRQHHQSA-N 0 0 344.415 1.654 10 0 EDAERN CCc1nc(-c2ccc(C(=O)N[C@@H]3CCc4ncnn4C3)cc2)n[nH]1 ZINC000125850052 222617242 /nfs/dbraw/zinc/61/72/42/222617242.db2.gz KCTLLUFFWRFDRW-CYBMUJFWSA-N 0 0 337.387 1.370 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(F)ccc3C)CCO2)[nH]1 ZINC000173736332 231018827 /nfs/dbraw/zinc/01/88/27/231018827.db2.gz RVBYZIRJKPDPNH-GFCCVEGCSA-N 0 0 340.380 1.323 10 0 EDAERN C[C@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)C[C@H]1N1CCOCC1 ZINC000173820891 231042899 /nfs/dbraw/zinc/04/28/99/231042899.db2.gz WSVIGGJAVNTAIQ-WMLDXEAASA-N 0 0 345.443 1.181 10 0 EDAERN Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173826390 231045182 /nfs/dbraw/zinc/04/51/82/231045182.db2.gz INWSSGNESHMWAI-CXAGYDPISA-N 0 0 334.464 1.149 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(CO)c2)CCS1 ZINC000158375862 529400603 /nfs/dbraw/zinc/40/06/03/529400603.db2.gz TTWRQIIYZUAADF-GFCCVEGCSA-N 0 0 331.459 1.704 10 0 EDAERN COc1ccc(-c2noc(CN3CC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000173934129 231074322 /nfs/dbraw/zinc/07/43/22/231074322.db2.gz IHUKDDXZIPBAOK-OAHLLOKOSA-N 0 0 344.415 1.652 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(C(C)C)n(C)n3)CCO2)n1 ZINC000174217824 231153061 /nfs/dbraw/zinc/15/30/61/231153061.db2.gz CCKIFECSEICDAS-OAHLLOKOSA-N 0 0 345.447 1.898 10 0 EDAERN Cc1csc(COc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 ZINC000056907724 214395159 /nfs/dbraw/zinc/39/51/59/214395159.db2.gz FWARMCPBEXNWOA-UHFFFAOYSA-N 0 0 331.397 1.603 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000174830914 231319445 /nfs/dbraw/zinc/31/94/45/231319445.db2.gz QLXKXPGPJNOURQ-FZMZJTMJSA-N 0 0 338.367 1.797 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)cc3)C2=O)n(C)n1 ZINC000175012899 231366605 /nfs/dbraw/zinc/36/66/05/231366605.db2.gz HWGSXSIIVOFRAS-HNNXBMFYSA-N 0 0 326.400 1.962 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)N[C@H]3COc4ccccc43)CCO2)[nH]1 ZINC000175465542 231450977 /nfs/dbraw/zinc/45/09/77/231450977.db2.gz CIMFVCNALYSDRO-JSGCOSHPSA-N 0 0 329.360 1.330 10 0 EDAERN O=C1Nc2ccccc2O[C@H]1CNS(=O)(=O)c1ccc(F)cc1 ZINC000049739113 214030093 /nfs/dbraw/zinc/03/00/93/214030093.db2.gz NRCXCZGEOGIIBO-AWEZNQCLSA-N 0 0 336.344 1.504 10 0 EDAERN Cc1cc(C(=O)NCc2ccccc2C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000049682778 214026524 /nfs/dbraw/zinc/02/65/24/214026524.db2.gz NEMLOOFLVICUHY-HNNXBMFYSA-N 0 0 347.440 1.790 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000165564321 529671589 /nfs/dbraw/zinc/67/15/89/529671589.db2.gz UCDPEBQDZPFBCK-LBPRGKRZSA-N 0 0 341.415 1.993 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCC(=O)Nc2ccccc2)CC1 ZINC000181760028 529697605 /nfs/dbraw/zinc/69/76/05/529697605.db2.gz IPTAVFMWENFTPC-INIZCTEOSA-N 0 0 348.447 1.113 10 0 EDAERN C[C@@H](NC(=O)NCC(=O)N(C)C)c1cccc(Br)c1 ZINC000061332936 214659896 /nfs/dbraw/zinc/65/98/96/214659896.db2.gz BRCDXRQCLHNSIW-SECBINFHSA-N 0 0 328.210 1.898 10 0 EDAERN CCc1nc2cc(NC(=O)C(=O)N3CCC[C@@H]3C(=O)NC)ccc2o1 ZINC000166887279 529747945 /nfs/dbraw/zinc/74/79/45/529747945.db2.gz CAWFZCBZCIPAID-GFCCVEGCSA-N 0 0 344.371 1.066 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000133138668 529749894 /nfs/dbraw/zinc/74/98/94/529749894.db2.gz JKFBKPVLOOMKMH-ZDUSSCGKSA-N 0 0 342.403 1.904 10 0 EDAERN COC(CNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O)OC ZINC000049382402 214003851 /nfs/dbraw/zinc/00/38/51/214003851.db2.gz NIIIPMCXIXWLRO-UHFFFAOYSA-N 0 0 341.795 1.317 10 0 EDAERN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)NCC(F)(F)F ZINC000049383542 214003490 /nfs/dbraw/zinc/00/34/90/214003490.db2.gz CSJDHEFOBCJFBX-UHFFFAOYSA-N 0 0 337.248 1.885 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000166892804 529901532 /nfs/dbraw/zinc/90/15/32/529901532.db2.gz FFZHQSMWWGMAHG-HNNXBMFYSA-N 0 0 346.431 1.207 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000159189864 529924038 /nfs/dbraw/zinc/92/40/38/529924038.db2.gz CUMJZDPBNBLKEC-DOTOQJQBSA-N 0 0 344.459 1.884 10 0 EDAERN CNC(=O)[C@H]1CCCN1c1cccc(Br)c1C(N)=S ZINC000168706753 529924731 /nfs/dbraw/zinc/92/47/31/529924731.db2.gz KYHFQUKOFPWGLD-SNVBAGLBSA-N 0 0 342.262 1.798 10 0 EDAERN CN(CCS(C)(=O)=O)C(=O)c1cc(N)cc(Br)c1 ZINC000166117128 529928751 /nfs/dbraw/zinc/92/87/51/529928751.db2.gz FJKABVNYRYPICR-UHFFFAOYSA-N 0 0 335.223 1.148 10 0 EDAERN CS(=O)(=O)c1cnn(-c2ccc(I)cn2)c1 ZINC000725242199 539382324 /nfs/dbraw/zinc/38/23/24/539382324.db2.gz MPNATXHHZVIDFJ-UHFFFAOYSA-N 0 0 349.153 1.275 10 0 EDAERN COC(=O)c1cn(-c2ccn[nH]2)cc2c(=O)n(-c3ccccc3C)nc1-2 ZINC000101438704 219127589 /nfs/dbraw/zinc/12/75/89/219127589.db2.gz LEXXKOKCFPTSKD-UHFFFAOYSA-N 0 0 349.350 1.946 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 ZINC000101564539 219137380 /nfs/dbraw/zinc/13/73/80/219137380.db2.gz OXMQZLYNDNZOIL-CQSZACIVSA-N 0 0 328.420 1.543 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000101564046 219138300 /nfs/dbraw/zinc/13/83/00/219138300.db2.gz QBPZGMCFSOEPFS-UONOGXRCSA-N 0 0 340.468 1.237 10 0 EDAERN Cc1nc(Br)c(Br)n1CC[C@@H]([NH3+])C(=O)[O-] ZINC000725256110 539393051 /nfs/dbraw/zinc/39/30/51/539393051.db2.gz UDPPFFMBSALCFJ-RXMQYKEDSA-N 0 0 341.003 1.519 10 0 EDAERN CN([C@@H]1CCOC1)S(=O)(=O)c1cc(Br)ccc1N ZINC000157954383 530033382 /nfs/dbraw/zinc/03/33/82/530033382.db2.gz LEGKUWMHUYJWOQ-SECBINFHSA-N 0 0 335.223 1.441 10 0 EDAERN CNC(=O)c1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1 ZINC000066093417 215008667 /nfs/dbraw/zinc/00/86/67/215008667.db2.gz HJHVJXVFZCMQIK-UHFFFAOYSA-N 0 0 326.356 1.196 10 0 EDAERN CNC(=O)c1ccc(NCC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000066109360 215013066 /nfs/dbraw/zinc/01/30/66/215013066.db2.gz YNMPYCOTRZXXEI-UHFFFAOYSA-N 0 0 326.356 1.196 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCc1cnn(C)c1 ZINC000102650440 219219691 /nfs/dbraw/zinc/21/96/91/219219691.db2.gz VLXHQLKCDLKIIG-ZDUSSCGKSA-N 0 0 329.404 1.679 10 0 EDAERN CCc1nocc1CN(C)C(=O)c1coc(CN2CC[C@H](OC)C2)n1 ZINC000685943964 539583710 /nfs/dbraw/zinc/58/37/10/539583710.db2.gz QAXYCBXVHWMSAR-ZDUSSCGKSA-N 0 0 348.403 1.718 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(CNC(N)=O)cc1)C(C)C ZINC000067239198 215126032 /nfs/dbraw/zinc/12/60/32/215126032.db2.gz KFKWVMODLCCAOI-MRXNPFEDSA-N 0 0 348.447 1.980 10 0 EDAERN CCn1cc(C(=O)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cn1 ZINC000179454108 233049105 /nfs/dbraw/zinc/04/91/05/233049105.db2.gz FCJRIFJSWZFSIO-LLVKDONJSA-N 0 0 331.372 1.980 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC000249383337 539700331 /nfs/dbraw/zinc/70/03/31/539700331.db2.gz BGOHCVBTWLBGAA-LLLHUVSDSA-N 0 0 348.443 1.033 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000041457326 213447835 /nfs/dbraw/zinc/44/78/35/213447835.db2.gz DINJSPNRYFAHNP-HOCLYGCPSA-N 0 0 348.399 1.656 10 0 EDAERN CC[C@@]1(c2ccc(NC(=O)[C@@H](C)COC)cc2)CCC(=O)NC1=O ZINC000103431799 219298575 /nfs/dbraw/zinc/29/85/75/219298575.db2.gz YRGBKISDKLGNOK-SGTLLEGYSA-N 0 0 332.400 1.992 10 0 EDAERN CN(C)C(=O)N1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1 ZINC000041246339 213435009 /nfs/dbraw/zinc/43/50/09/213435009.db2.gz YTUCSUFTZWGDDI-UHFFFAOYSA-N 0 0 330.432 1.726 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CCS1 ZINC000179659809 233290432 /nfs/dbraw/zinc/29/04/32/233290432.db2.gz UTCMBNJCSBNTCA-QMMMGPOBSA-N 0 0 344.234 1.747 10 0 EDAERN CCc1cc(S(N)(=O)=O)ccc1OCCNC(=O)N(CC)CC ZINC000041119742 213418647 /nfs/dbraw/zinc/41/86/47/213418647.db2.gz XSFPRECZWKYLFC-UHFFFAOYSA-N 0 0 343.449 1.327 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CSCc1ccncc1 ZINC000127075843 222788915 /nfs/dbraw/zinc/78/89/15/222788915.db2.gz QZOJUWPXRNAHBC-ZDUSSCGKSA-N 0 0 347.444 1.704 10 0 EDAERN COCCN(CCOC)c1ncnc(Nc2ccc(C)cn2)c1N ZINC000040752044 213381517 /nfs/dbraw/zinc/38/15/17/213381517.db2.gz MGYZUCFDGZPWFA-UHFFFAOYSA-N 0 0 332.408 1.605 10 0 EDAERN C[C@@H]1CC(=O)N(CC(=O)Nc2c(N)cc(Cl)cc2Cl)C1=O ZINC000040739421 213379865 /nfs/dbraw/zinc/37/98/65/213379865.db2.gz KKSGQFSUEWWGLY-ZCFIWIBFSA-N 0 0 330.171 1.909 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000152510948 539816273 /nfs/dbraw/zinc/81/62/73/539816273.db2.gz HAJIIRPCXCUUKJ-CYBMUJFWSA-N 0 0 330.392 1.329 10 0 EDAERN O=S1(=O)CCC[C@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000069142673 215363515 /nfs/dbraw/zinc/36/35/15/215363515.db2.gz CRKCDDYMOABKJG-WCQYABFASA-N 0 0 329.443 1.072 10 0 EDAERN Nc1ccc(Br)c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069140274 215363022 /nfs/dbraw/zinc/36/30/22/215363022.db2.gz QNQSVSNRHYNMBJ-SECBINFHSA-N 0 0 347.234 1.338 10 0 EDAERN CC/C(=C\c1ccccc1)C(=O)N1CCO[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000040666336 213367152 /nfs/dbraw/zinc/36/71/52/213367152.db2.gz WEOGHSXVLDHIGE-KFOKOMITSA-N 0 0 335.425 1.504 10 0 EDAERN CC(=O)N1CCc2cc(S(=O)(=O)N3[C@@H](C)COC[C@@H]3C)ccc21 ZINC000040635225 213362612 /nfs/dbraw/zinc/36/26/12/213362612.db2.gz UEGQFLNZKZWIPU-RYUDHWBXSA-N 0 0 338.429 1.394 10 0 EDAERN CCOC(=O)CN1C(=O)N[C@H](Cc2cccc(C(F)(F)F)c2)C1=O ZINC000001854176 209800083 /nfs/dbraw/zinc/80/00/83/209800083.db2.gz JVFDGCGDQFBEBJ-LLVKDONJSA-N 0 0 344.289 1.731 10 0 EDAERN CC(C)N(CCc1nccs1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000155818222 539931756 /nfs/dbraw/zinc/93/17/56/539931756.db2.gz QFHDIEXRXQCJGT-AWEZNQCLSA-N 0 0 340.493 1.826 10 0 EDAERN COc1cc(OC)cc(C(=O)NC(=S)NCc2cccnc2)c1 ZINC000039841668 213242090 /nfs/dbraw/zinc/24/20/90/213242090.db2.gz PEDWCBHFKQSJOL-UHFFFAOYSA-N 0 0 331.397 1.903 10 0 EDAERN O=C(Nc1cnn(Cc2ccccn2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000174877652 540095766 /nfs/dbraw/zinc/09/57/66/540095766.db2.gz IZQDNHNROAWCCW-MRXNPFEDSA-N 0 0 326.404 1.638 10 0 EDAERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)NC1CCCC1 ZINC000038531255 213213196 /nfs/dbraw/zinc/21/31/96/213213196.db2.gz CMDMXVIVHCADRI-CQSZACIVSA-N 0 0 339.461 1.461 10 0 EDAERN COc1ccc([C@H](CC(=O)N[C@H]2CCCC[C@@H]2CO)NC(C)=O)cc1 ZINC000179241292 540115427 /nfs/dbraw/zinc/11/54/27/540115427.db2.gz GHJAHUBVFXJMSI-NJAFHUGGSA-N 0 0 348.443 1.930 10 0 EDAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H]2CCCS2(=O)=O)cs1 ZINC000187210735 540153956 /nfs/dbraw/zinc/15/39/56/540153956.db2.gz VKFGUGKOXHBAEK-YPMHNXCESA-N 0 0 343.474 1.875 10 0 EDAERN C[C@@H](C(=O)NCC(F)(F)C(F)F)N1C(=O)c2ccccc2C1=O ZINC000192220471 540177550 /nfs/dbraw/zinc/17/75/50/540177550.db2.gz VJJBWZLMIPTWCF-ZETCQYMHSA-N 0 0 332.253 1.688 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC000192671180 540179605 /nfs/dbraw/zinc/17/96/05/540179605.db2.gz BGOHCVBTWLBGAA-SVGFKBNWSA-N 0 0 348.443 1.033 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000193308737 540182208 /nfs/dbraw/zinc/18/22/08/540182208.db2.gz XHJCLMIHFJMVEC-USXIJHARSA-N 0 0 334.391 1.198 10 0 EDAERN CCCNC(=O)CN(C)S(=O)(=O)c1sc(Cl)nc1C ZINC000038104275 213202739 /nfs/dbraw/zinc/20/27/39/213202739.db2.gz IFOOJAIFTWHBHC-UHFFFAOYSA-N 0 0 325.843 1.252 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CCNC(=O)c3ccco3)C2)c1 ZINC000105857885 219563618 /nfs/dbraw/zinc/56/36/18/219563618.db2.gz XWKAMMDLDDSJJO-CQSZACIVSA-N 0 0 330.388 1.768 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CC(=O)N[C@@H](C)C(C)C)CC2)n1 ZINC000105865128 219567233 /nfs/dbraw/zinc/56/72/33/219567233.db2.gz AUBCOEBBZSNCMQ-UONOGXRCSA-N 0 0 337.468 1.471 10 0 EDAERN C[C@H](CNC(=O)NCCCCN(C)c1ccccc1)N1CCOCC1 ZINC000054643649 138144088 /nfs/dbraw/zinc/14/40/88/138144088.db2.gz YNSOKVUTKFRRIT-QGZVFWFLSA-N 0 0 348.491 1.923 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-c2cnco2)c1)[C@H]1CCCO1 ZINC000052682511 138138314 /nfs/dbraw/zinc/13/83/14/138138314.db2.gz XRTZVMCQILAUHM-BXUZGUMPSA-N 0 0 329.356 1.964 10 0 EDAERN CC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000067365480 138186607 /nfs/dbraw/zinc/18/66/07/138186607.db2.gz MKRVYFUXMNJNRJ-UKRRQHHQSA-N 0 0 346.431 1.571 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccccc1C ZINC000088199892 138272064 /nfs/dbraw/zinc/27/20/64/138272064.db2.gz PBQZSJAFBOTXSN-CQSZACIVSA-N 0 0 341.415 1.530 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000083741142 138269396 /nfs/dbraw/zinc/26/93/96/138269396.db2.gz OCMKJLUATBTWNW-CYBMUJFWSA-N 0 0 348.451 1.321 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCCNC(=O)c1ccsc1 ZINC000081581886 138267084 /nfs/dbraw/zinc/26/70/84/138267084.db2.gz PEQMNQCCQWAFQX-ZDUSSCGKSA-N 0 0 347.444 1.809 10 0 EDAERN O=C(CSCC(F)(F)F)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000090634183 138280074 /nfs/dbraw/zinc/28/00/74/138280074.db2.gz WYDANDAFNFNBKR-SNVBAGLBSA-N 0 0 334.367 1.857 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)N1CCc2ccccc21 ZINC000105798502 138301717 /nfs/dbraw/zinc/30/17/17/138301717.db2.gz AKMWLBWCXIPFBX-UHFFFAOYSA-N 0 0 337.427 1.578 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)c1 ZINC000117814696 138312493 /nfs/dbraw/zinc/31/24/93/138312493.db2.gz GMUUUJSSGAYYED-KRWDZBQOSA-N 0 0 340.427 1.978 10 0 EDAERN COc1cccc2c1OC[C@@H](NC(=O)NCCn1cc(C)cn1)C2 ZINC000118071230 138312573 /nfs/dbraw/zinc/31/25/73/138312573.db2.gz VDPQGNVOFAZKMW-AWEZNQCLSA-N 0 0 330.388 1.503 10 0 EDAERN C[C@H]1CCCCN1C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917574 138302763 /nfs/dbraw/zinc/30/27/63/138302763.db2.gz MLIYPLVOTVLIFR-INIZCTEOSA-N 0 0 333.480 1.329 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000125431909 138333869 /nfs/dbraw/zinc/33/38/69/138333869.db2.gz DDLCWAXBJGNVNT-CYBMUJFWSA-N 0 0 342.461 1.263 10 0 EDAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(Cn2cccn2)CC1 ZINC000126006916 138337132 /nfs/dbraw/zinc/33/71/32/138337132.db2.gz OVLRYYSEMBQGAI-INIZCTEOSA-N 0 0 344.459 1.913 10 0 EDAERN CC(=O)CC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 ZINC000037839490 213169609 /nfs/dbraw/zinc/16/96/09/213169609.db2.gz NCYFRXLOOBYOPE-UHFFFAOYSA-N 0 0 327.178 1.242 10 0 EDAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000130904173 138349470 /nfs/dbraw/zinc/34/94/70/138349470.db2.gz JXCBDHQAYZWHDN-KBPBESRZSA-N 0 0 342.399 1.755 10 0 EDAERN Cc1cccc(Cl)c1NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000132472486 138377354 /nfs/dbraw/zinc/37/73/54/138377354.db2.gz WJHKUQWHIOOJON-CQSZACIVSA-N 0 0 337.851 1.993 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)CCS(=O)(=O)N(C)C)C2)n1 ZINC000137306729 138436475 /nfs/dbraw/zinc/43/64/75/138436475.db2.gz FCAZGFHYURZIQP-LBPRGKRZSA-N 0 0 345.490 1.439 10 0 EDAERN O=c1ccc(S(=O)(=O)Nc2cccc(Br)c2)c[nH]1 ZINC000036828898 213121822 /nfs/dbraw/zinc/12/18/22/213121822.db2.gz NBZAKGWQKHKESU-UHFFFAOYSA-N 0 0 329.175 1.938 10 0 EDAERN CC(C)CNS(=O)(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000036175895 213074257 /nfs/dbraw/zinc/07/42/57/213074257.db2.gz UEJNVINGTRNSOC-UHFFFAOYSA-N 0 0 348.490 1.055 10 0 EDAERN O=C(N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccncc1 ZINC000036109779 213070269 /nfs/dbraw/zinc/07/02/69/213070269.db2.gz IFYKWAJLEXXVGK-INIZCTEOSA-N 0 0 325.368 1.412 10 0 EDAERN CNC(=O)Cn1c(CN(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000036069831 213059069 /nfs/dbraw/zinc/05/90/69/213059069.db2.gz VKDSPRHWPCKCTQ-JTQLQIEISA-N 0 0 348.472 1.390 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188014842 236384602 /nfs/dbraw/zinc/38/46/02/236384602.db2.gz ILEZLQXZAYHLBX-UHFFFAOYSA-N 0 0 349.818 1.714 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC(=O)N3CCCCC3)C2)no1 ZINC000170893001 138654692 /nfs/dbraw/zinc/65/46/92/138654692.db2.gz LTOCTJVNFJEFRS-AWEZNQCLSA-N 0 0 349.435 1.355 10 0 EDAERN [NH3+][C@@H](CSCc1nnc(-c2ccc(Br)o2)o1)C(=O)[O-] ZINC000035083206 213007345 /nfs/dbraw/zinc/00/73/45/213007345.db2.gz ROTOMSXSIHMHLK-YFKPBYRVSA-N 0 0 348.178 1.737 10 0 EDAERN COC(CNC(=O)CN1C(=O)CSC=C1c1ccccc1)OC ZINC000071540195 215784492 /nfs/dbraw/zinc/78/44/92/215784492.db2.gz LSRPVFQJLFJUAM-UHFFFAOYSA-N 0 0 336.413 1.296 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)CC2 ZINC000177639964 138732129 /nfs/dbraw/zinc/73/21/29/138732129.db2.gz IYPFCHDSBYMKAS-SNVBAGLBSA-N 0 0 349.341 1.188 10 0 EDAERN Cc1cccc(Cn2cc3[nH]c(N4CCC(O)CC4)ncc-3c2=O)c1 ZINC000072260043 216085858 /nfs/dbraw/zinc/08/58/58/216085858.db2.gz SPMMEMVJVMLVDG-UHFFFAOYSA-N 0 0 338.411 1.902 10 0 EDAERN COCCNc1ccccc1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000129502133 223062876 /nfs/dbraw/zinc/06/28/76/223062876.db2.gz FAQYMHOBQWDYIX-OAHLLOKOSA-N 0 0 344.419 1.671 10 0 EDAERN CCOC(=O)c1cnn2c1ncc1c2ccn(-c2ccccc2N)c1=O ZINC000072466045 216247536 /nfs/dbraw/zinc/24/75/36/216247536.db2.gz UVJPTGHAZQSMQO-UHFFFAOYSA-N 0 0 349.350 1.792 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N[C@H]1COc2ccccc2O1 ZINC000027298840 212552808 /nfs/dbraw/zinc/55/28/08/212552808.db2.gz XXRMGCGSZCPTGW-MRXNPFEDSA-N 0 0 342.351 1.856 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C[C@@H]3CSCCS3)CCO2)c1 ZINC000131552751 223245796 /nfs/dbraw/zinc/24/57/96/223245796.db2.gz LZUMEXGEICZOIJ-ZIAGYGMSSA-N 0 0 341.502 1.658 10 0 EDAERN COc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1F ZINC000187439014 138827047 /nfs/dbraw/zinc/82/70/47/138827047.db2.gz BRKBISFQQIGSDV-GFCCVEGCSA-N 0 0 347.350 1.228 10 0 EDAERN C[C@]1(C(=O)N2CC(NC(=O)C3CCC3)C2)Cc2ccccc2C(=O)O1 ZINC000188556371 138844795 /nfs/dbraw/zinc/84/47/95/138844795.db2.gz NWCABTJXVHWPGE-LJQANCHMSA-N 0 0 342.395 1.285 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000189219141 138864349 /nfs/dbraw/zinc/86/43/49/138864349.db2.gz QBXZJPJCWKWHMJ-OAHLLOKOSA-N 0 0 342.465 1.253 10 0 EDAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000132777141 223361327 /nfs/dbraw/zinc/36/13/27/223361327.db2.gz DQZCCYRRZPVWJU-ZDUSSCGKSA-N 0 0 346.387 1.732 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000190992421 138901961 /nfs/dbraw/zinc/90/19/61/138901961.db2.gz HXJXIXBOMNZUNS-MRVPVSSYSA-N 0 0 337.228 1.893 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000190989828 138902034 /nfs/dbraw/zinc/90/20/34/138902034.db2.gz WJIIGLZDUXMZMI-SSDOTTSWSA-N 0 0 338.216 1.288 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccccn1 ZINC000020574823 212148599 /nfs/dbraw/zinc/14/85/99/212148599.db2.gz KJIATKLZZVJFGT-UHFFFAOYSA-N 0 0 337.401 1.682 10 0 EDAERN COc1ccccc1[C@H]1C(C(N)=O)=C(C)Nc2nc(SC)nn21 ZINC000020413618 212126424 /nfs/dbraw/zinc/12/64/24/212126424.db2.gz AZQVQWDMCKSRTH-LBPRGKRZSA-N 0 0 331.401 1.783 10 0 EDAERN CC(C)c1nnc(NC(=O)CN2c3ccccc3C(=O)C2=O)s1 ZINC000019995042 212093620 /nfs/dbraw/zinc/09/36/20/212093620.db2.gz CPSBKEIQGFMQNI-UHFFFAOYSA-N 0 0 330.369 1.830 10 0 EDAERN CC[C@@H](C)NC(=O)CN1c2cc(Br)ccc2C(=O)C1=O ZINC000019967152 212091256 /nfs/dbraw/zinc/09/12/56/212091256.db2.gz VYXULZJLFRYWBV-MRVPVSSYSA-N 0 0 339.189 1.893 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCOc2ccccc2)C1 ZINC000192364844 138943150 /nfs/dbraw/zinc/94/31/50/138943150.db2.gz JACXAYWVXLIKJJ-LSDHHAIUSA-N 0 0 346.387 1.928 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(C(N)=O)cc1 ZINC000249349916 284190996 /nfs/dbraw/zinc/19/09/96/284190996.db2.gz WIZNMMHHGNOPIM-KFWWJZLASA-N 0 0 330.384 1.732 10 0 EDAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195051353 139005622 /nfs/dbraw/zinc/00/56/22/139005622.db2.gz FXYIKCMUDQRRFK-OAHLLOKOSA-N 0 0 327.432 1.965 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(C)cn3)C2)cn1 ZINC000195244991 139011236 /nfs/dbraw/zinc/01/12/36/139011236.db2.gz OMBUQKUUEZRLFI-CYBMUJFWSA-N 0 0 336.417 1.621 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000195205297 139010215 /nfs/dbraw/zinc/01/02/15/139010215.db2.gz DFXDJLVMJFEMMT-OAHLLOKOSA-N 0 0 346.408 1.729 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)CCCOCC(F)(F)F ZINC000195427088 139016292 /nfs/dbraw/zinc/01/62/92/139016292.db2.gz BYWHNZXYSGIAQV-UHFFFAOYSA-N 0 0 330.332 1.138 10 0 EDAERN Nc1ccc(S(=O)(=O)NCCn2cccn2)c(Br)c1 ZINC000049074775 213985809 /nfs/dbraw/zinc/98/58/09/213985809.db2.gz WEWKDERMWBDKDH-UHFFFAOYSA-N 0 0 345.222 1.206 10 0 EDAERN O=C(c1ccc(Cl)cc1Br)N1CCO[C@H](CO)C1 ZINC000225972238 139021628 /nfs/dbraw/zinc/02/16/28/139021628.db2.gz VMOFZUTUQFPIBB-VIFPVBQESA-N 0 0 334.597 1.936 10 0 EDAERN C[C@H]1OCC[C@@H]1NC(=O)c1ccc(I)c(O)c1 ZINC000230904275 139024852 /nfs/dbraw/zinc/02/48/52/139024852.db2.gz DYEKFHXIBZWKOU-XCBNKYQSSA-N 0 0 347.152 1.904 10 0 EDAERN COC(=O)N[C@@H](C(=O)Nc1ccn(CCc2ccncc2)n1)C(C)C ZINC000078567125 217078887 /nfs/dbraw/zinc/07/88/87/217078887.db2.gz AZBHUIIWUHBZSQ-OAHLLOKOSA-N 0 0 345.403 1.840 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)CSc3ccncc3)CCO2)n1 ZINC000110903851 220077801 /nfs/dbraw/zinc/07/78/01/220077801.db2.gz HUIMGWVZEOMDJL-OAHLLOKOSA-N 0 0 346.456 1.915 10 0 EDAERN Cc1ccc(C)c(OCC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111089102 220098503 /nfs/dbraw/zinc/09/85/03/220098503.db2.gz KPCZSFJVNSXEBU-INIZCTEOSA-N 0 0 329.400 1.806 10 0 EDAERN O=C(COCCOc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111076115 220097007 /nfs/dbraw/zinc/09/70/07/220097007.db2.gz NSSBHUGVASBFPV-KRWDZBQOSA-N 0 0 345.399 1.206 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111077106 220097044 /nfs/dbraw/zinc/09/70/44/220097044.db2.gz OZOWWRRUHCIOMJ-CQSZACIVSA-N 0 0 346.362 1.522 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)cnn1C1CCCC1 ZINC000192957230 291566838 /nfs/dbraw/zinc/56/68/38/291566838.db2.gz LPYBOVJXFYPTOF-XHDPSFHLSA-N 0 0 334.420 1.929 10 0 EDAERN O=C(NCCCOc1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111808264 220194595 /nfs/dbraw/zinc/19/45/95/220194595.db2.gz VEMHEKXRFMSTJC-QGZVFWFLSA-N 0 0 344.415 1.763 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccc2nncn2c1 ZINC000081341835 217384909 /nfs/dbraw/zinc/38/49/09/217384909.db2.gz BFGINSNCWUMJNR-ZDUSSCGKSA-N 0 0 345.403 1.859 10 0 EDAERN O=S(=O)(c1cccc2c1OCCO2)N1CCN2CCCC[C@H]2C1 ZINC000245198972 139070985 /nfs/dbraw/zinc/07/09/85/139070985.db2.gz ZRPLJHTWCWVZJR-ZDUSSCGKSA-N 0 0 338.429 1.317 10 0 EDAERN CCn1cc(Br)cc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000112022896 220230214 /nfs/dbraw/zinc/23/02/14/220230214.db2.gz JOOOOEQAISPQSW-NSHDSACASA-N 0 0 330.226 1.331 10 0 EDAERN COC(=O)c1cccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112061855 220236104 /nfs/dbraw/zinc/23/61/04/220236104.db2.gz RQRLJRBQBCWENR-MRXNPFEDSA-N 0 0 343.383 1.519 10 0 EDAERN COc1cccc(CC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112060552 220236446 /nfs/dbraw/zinc/23/64/46/220236446.db2.gz QQRFCAOYQMWXBA-QGZVFWFLSA-N 0 0 329.400 1.670 10 0 EDAERN COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000245540552 139078549 /nfs/dbraw/zinc/07/85/49/139078549.db2.gz MQYIKTSDLUKBLG-DOTOQJQBSA-N 0 0 348.443 1.533 10 0 EDAERN CCOc1ncccc1NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112103958 220242570 /nfs/dbraw/zinc/24/25/70/220242570.db2.gz CRIUFZKHZBNHQV-AWEZNQCLSA-N 0 0 345.403 1.918 10 0 EDAERN COCCn1ccc(NC(=O)N2CCC(Nc3cccnn3)CC2)n1 ZINC000151367784 223813823 /nfs/dbraw/zinc/81/38/23/223813823.db2.gz FKBPVZGXRLXHTC-UHFFFAOYSA-N 0 0 345.407 1.428 10 0 EDAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCOC)c1 ZINC000245935653 139090518 /nfs/dbraw/zinc/09/05/18/139090518.db2.gz XDYGNAVZHOFTAF-CVEARBPZSA-N 0 0 333.432 1.806 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246016229 139092518 /nfs/dbraw/zinc/09/25/18/139092518.db2.gz MFOIISFBDPLIHF-DYEKYZERSA-N 0 0 348.451 1.184 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)C[C@H]1N1CCOCC1 ZINC000246393220 139106670 /nfs/dbraw/zinc/10/66/70/139106670.db2.gz CMZHLXXQNFTXMK-WCQYABFASA-N 0 0 345.852 1.076 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)no1 ZINC000246362920 139105690 /nfs/dbraw/zinc/10/56/90/139105690.db2.gz PWHFYBZCGFKXDK-TZMCWYRMSA-N 0 0 337.424 1.163 10 0 EDAERN CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246438666 139108706 /nfs/dbraw/zinc/10/87/06/139108706.db2.gz DABBVVDVSAKOPL-RISCZKNCSA-N 0 0 335.379 1.707 10 0 EDAERN C[C@H](NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1CCCO1 ZINC000246943779 139127978 /nfs/dbraw/zinc/12/79/78/139127978.db2.gz CJCRKIRFIOCSSP-CGTJXYLNSA-N 0 0 347.459 1.615 10 0 EDAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000246925467 139127399 /nfs/dbraw/zinc/12/73/99/139127399.db2.gz JDGWBBRTNHXQOD-LSDHHAIUSA-N 0 0 335.423 1.868 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2c(F)cccc2F)C[C@H]1C ZINC000247094044 139135194 /nfs/dbraw/zinc/13/51/94/139135194.db2.gz MEQMTUNMSKXYDL-GFCCVEGCSA-N 0 0 348.415 1.696 10 0 EDAERN CCOCCN1CCN(CC(=O)N2CCCC[C@@H]2CC)C[C@@H]1C ZINC000247197322 139140038 /nfs/dbraw/zinc/14/00/38/139140038.db2.gz ORVGKNHFQBNMHU-IRXDYDNUSA-N 0 0 325.497 1.820 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000248456531 139164726 /nfs/dbraw/zinc/16/47/26/139164726.db2.gz SIMBHUBQHXAUBN-MXWKQRLJSA-N 0 0 337.342 1.264 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2c(C)cccc2F)C[C@@H]1C ZINC000248466546 139165397 /nfs/dbraw/zinc/16/53/97/139165397.db2.gz DMSCXRFJECXMTH-ZDUSSCGKSA-N 0 0 330.425 1.475 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCCCc1nc2ccccc2s1 ZINC000091784270 218065780 /nfs/dbraw/zinc/06/57/80/218065780.db2.gz KZRIZDFOZXKESZ-ZDUSSCGKSA-N 0 0 347.440 1.722 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000248756646 139174397 /nfs/dbraw/zinc/17/43/97/139174397.db2.gz TYCCGUJBNRJUGD-SNPRPXQTSA-N 0 0 349.431 1.903 10 0 EDAERN O=C1SCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000010463191 211176187 /nfs/dbraw/zinc/17/61/87/211176187.db2.gz TVGOIJABUDPXEK-VIFPVBQESA-N 0 0 341.332 1.896 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)c3nnnn3C3CCCCC3)CCO2)[nH]1 ZINC000248939509 139181074 /nfs/dbraw/zinc/18/10/74/139181074.db2.gz CJOTYBXFNYYHIL-BXUZGUMPSA-N 0 0 346.439 1.739 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000249300400 139190816 /nfs/dbraw/zinc/19/08/16/139190816.db2.gz DJWQSAGDGLXQIH-FQUUOJAGSA-N 0 0 348.399 1.731 10 0 EDAERN O=S(=O)(c1ccc(F)c(F)c1F)N1CCN2CCCC[C@H]2C1 ZINC000249770391 139198489 /nfs/dbraw/zinc/19/84/89/139198489.db2.gz SCLZOBCXQBAVSG-JTQLQIEISA-N 0 0 334.363 1.963 10 0 EDAERN Cc1nccnc1S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095089695 218279598 /nfs/dbraw/zinc/27/95/98/218279598.db2.gz FFNLGMKLZOQLPF-UHFFFAOYSA-N 0 0 341.433 1.958 10 0 EDAERN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2noc3c2CCCC3)on1 ZINC000095391495 218322476 /nfs/dbraw/zinc/32/24/76/218322476.db2.gz BFQGQWAYJIQWFS-RISCZKNCSA-N 0 0 331.372 1.837 10 0 EDAERN Nc1cccc2c1CCCN2CCNS(=O)(=O)c1ccccc1 ZINC000261901747 139235437 /nfs/dbraw/zinc/23/54/37/139235437.db2.gz WEOCWEDLSFFBLT-UHFFFAOYSA-N 0 0 331.441 2.000 10 0 EDAERN O=C1CNCCN1[C@H]1CCCN(Cc2cnc(C(F)(F)F)s2)C1 ZINC000261999475 139242837 /nfs/dbraw/zinc/24/28/37/139242837.db2.gz TZFDNRWXYKAWMO-JTQLQIEISA-N 0 0 348.394 1.558 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@H]1C ZINC000153162429 532951326 /nfs/dbraw/zinc/95/13/26/532951326.db2.gz XLSYQOMYPYVWKW-HZPDHXFCSA-N 0 0 347.463 1.022 10 0 EDAERN COCCNC(=O)[C@H]1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000170556038 533013093 /nfs/dbraw/zinc/01/30/93/533013093.db2.gz JKAJLFTZQZLNNN-KBPBESRZSA-N 0 0 344.411 1.852 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1F)c1nnc2n1CCCC2 ZINC000165553086 533035129 /nfs/dbraw/zinc/03/51/29/533035129.db2.gz PLPJTWMYQOFZJN-SECBINFHSA-N 0 0 349.341 1.709 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)C1CC1 ZINC000171337442 533035624 /nfs/dbraw/zinc/03/56/24/533035624.db2.gz DZUNXCZTBAEOOX-SSDOTTSWSA-N 0 0 346.355 1.222 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)NC1CC(C)C1 ZINC000163902430 533086837 /nfs/dbraw/zinc/08/68/37/533086837.db2.gz KYQPTRASYAVDOB-UHFFFAOYSA-N 0 0 334.239 1.963 10 0 EDAERN O=C(CCCOc1ccc(F)cc1F)N[C@H]1CCc2ncnn2C1 ZINC000112648809 220362589 /nfs/dbraw/zinc/36/25/89/220362589.db2.gz CZLOQJZORNVTHB-LBPRGKRZSA-N 0 0 336.342 1.847 10 0 EDAERN CC(C)(C(=O)N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000112647076 220362917 /nfs/dbraw/zinc/36/29/17/220362917.db2.gz NKALJGLBHWPXKB-CYBMUJFWSA-N 0 0 342.399 1.458 10 0 EDAERN C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112741701 220392167 /nfs/dbraw/zinc/39/21/67/220392167.db2.gz XMDCAEZBQDTAQI-JSGCOSHPSA-N 0 0 329.404 1.619 10 0 EDAERN O=C(NCC1(c2ccc(F)cc2)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000112744250 220394404 /nfs/dbraw/zinc/39/44/04/220394404.db2.gz QMPUTEWNHKLZBQ-CQSZACIVSA-N 0 0 329.379 1.763 10 0 EDAERN Cc1cccc(OC[C@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112745533 220396003 /nfs/dbraw/zinc/39/60/03/220396003.db2.gz HLFDMUNGMZGECV-KBPBESRZSA-N 0 0 329.404 1.668 10 0 EDAERN COc1cccc(-c2cc(NC(=O)C(=O)N[C@@H]3C[C@H]3C)n(C)n2)c1 ZINC000153910647 224175133 /nfs/dbraw/zinc/17/51/33/224175133.db2.gz AEVQIAVHDXVKLM-ZWNOBZJWSA-N 0 0 328.372 1.559 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000154106233 224203333 /nfs/dbraw/zinc/20/33/33/224203333.db2.gz GJNQHQXGKNVAHR-CYBMUJFWSA-N 0 0 332.322 1.128 10 0 EDAERN O=C(CCC(=O)c1ccc(F)c(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000154466719 224258070 /nfs/dbraw/zinc/25/80/70/224258070.db2.gz VWBJTSFJKBIMJJ-NSHDSACASA-N 0 0 334.326 1.650 10 0 EDAERN C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)C(=O)N(C)C ZINC000178563404 533196101 /nfs/dbraw/zinc/19/61/01/533196101.db2.gz OQBCWOYRLOEPHZ-PWSUYJOCSA-N 0 0 331.338 1.936 10 0 EDAERN COc1ncc(C)cc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177888524 533204457 /nfs/dbraw/zinc/20/44/57/533204457.db2.gz ACEPZYIAYLTBCS-DZGCQCFKSA-N 0 0 334.420 1.583 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C)CCN1CCOC ZINC000117372433 221058931 /nfs/dbraw/zinc/05/89/31/221058931.db2.gz ZJARZRBCTOQTDR-OAHLLOKOSA-N 0 0 344.452 1.865 10 0 EDAERN CCOCCN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000117397832 221060498 /nfs/dbraw/zinc/06/04/98/221060498.db2.gz QPBPBCKZBXKFLE-CYBMUJFWSA-N 0 0 344.415 1.106 10 0 EDAERN O=C(NC1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000117399842 221061334 /nfs/dbraw/zinc/06/13/34/221061334.db2.gz PAGDZTKKBAIXEB-QGZVFWFLSA-N 0 0 347.459 1.696 10 0 EDAERN COCCN1CCN(C(=O)[C@H]2COc3cc(OC)ccc3C2)C[C@@H]1C ZINC000117285567 221043521 /nfs/dbraw/zinc/04/35/21/221043521.db2.gz NQYWXQJXWIJGPB-GOEBONIOSA-N 0 0 348.443 1.425 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000117522664 221074137 /nfs/dbraw/zinc/07/41/37/221074137.db2.gz TYBLTIRQWAUNDY-CQSZACIVSA-N 0 0 333.432 1.421 10 0 EDAERN CNC(=O)c1ccc(OC)c(NC(=O)NCCn2cc(C)cn2)c1 ZINC000118012720 221105936 /nfs/dbraw/zinc/10/59/36/221105936.db2.gz VRXFFIRUSHKRGZ-UHFFFAOYSA-N 0 0 331.376 1.381 10 0 EDAERN Cc1cnn(CCNC(=O)NCCc2nnc3n2CCCCC3)c1 ZINC000118056799 221110000 /nfs/dbraw/zinc/11/00/00/221110000.db2.gz ISWHCIOSRQOUDY-UHFFFAOYSA-N 0 0 331.424 1.051 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)no1 ZINC000117799138 221090443 /nfs/dbraw/zinc/09/04/43/221090443.db2.gz JNAIVPDOSCIOAY-CYBMUJFWSA-N 0 0 345.403 1.275 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)c(C)c1 ZINC000118133361 221128578 /nfs/dbraw/zinc/12/85/78/221128578.db2.gz AFZHVQNSSYOKSS-UHFFFAOYSA-N 0 0 330.388 1.654 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccnc2OC(C)C)c1 ZINC000118134137 221128724 /nfs/dbraw/zinc/12/87/24/221128724.db2.gz UWZKPTIBKYJZFT-UHFFFAOYSA-N 0 0 331.376 1.129 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000118080883 221113068 /nfs/dbraw/zinc/11/30/68/221113068.db2.gz VVRBFAKDCDEWOL-UHFFFAOYSA-N 0 0 337.424 1.454 10 0 EDAERN COc1ccccc1CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118671101 221167736 /nfs/dbraw/zinc/16/77/36/221167736.db2.gz PZNSBUKBCVIMFP-OAHLLOKOSA-N 0 0 326.400 1.813 10 0 EDAERN C[C@H]1CCC[C@H](C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)C1 ZINC000118952828 221209754 /nfs/dbraw/zinc/20/97/54/221209754.db2.gz HVSQJONEWJVXEN-GJZGRUSLSA-N 0 0 347.463 1.422 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(OCC(F)F)nc2)C[C@@H]1C ZINC000118992103 221219866 /nfs/dbraw/zinc/21/98/66/221219866.db2.gz UJQNOHMBCYAWBB-LBPRGKRZSA-N 0 0 343.374 1.518 10 0 EDAERN CCOC(=O)c1c(C)oc2nc(CN[C@@H](C)[C@H]3CCCO3)nc(N)c21 ZINC000119255887 221278196 /nfs/dbraw/zinc/27/81/96/221278196.db2.gz LFYKRFCAJQVSBG-GXSJLCMTSA-N 0 0 348.403 1.947 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)ccc1N(C)C ZINC000176102388 291946384 /nfs/dbraw/zinc/94/63/84/291946384.db2.gz MQUSPXJGWAIMAU-CYBMUJFWSA-N 0 0 342.403 1.242 10 0 EDAERN COCCn1nc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)ccc1=O ZINC000119775875 221397684 /nfs/dbraw/zinc/39/76/84/221397684.db2.gz CENSKMKSZFKNJU-OAHLLOKOSA-N 0 0 345.374 1.836 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](OC)c1ccccc1 ZINC000155190009 224373932 /nfs/dbraw/zinc/37/39/32/224373932.db2.gz ILHYYUPWFIIHMD-UKRRQHHQSA-N 0 0 330.388 1.763 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1COc2ccccc21 ZINC000155214378 224377545 /nfs/dbraw/zinc/37/75/45/224377545.db2.gz KVPLIIKGLUPTPS-CHWSQXEVSA-N 0 0 328.372 1.552 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155323548 224397693 /nfs/dbraw/zinc/39/76/93/224397693.db2.gz AQYPZPKCNQZMRW-GFCCVEGCSA-N 0 0 344.419 1.545 10 0 EDAERN CCO/C=C/[C@](O)(CNC(=O)CCc1ccccn1)C(F)(F)F ZINC000408522389 257978663 /nfs/dbraw/zinc/97/86/63/257978663.db2.gz IIGSBSPJGSUNEU-PLWJUESGSA-N 0 0 332.322 1.974 10 0 EDAERN CCc1nnc2cc(N3CCN(C(=O)c4ccccc4)CC3)cnn21 ZINC000065282225 258062721 /nfs/dbraw/zinc/06/27/21/258062721.db2.gz GIGVSKAJORPXEJ-UHFFFAOYSA-N 0 0 336.399 1.649 10 0 EDAERN CCOC(=O)CN(C)C(=O)[C@H]1CC(Cc2ccc(OC)cc2)=NO1 ZINC000299762699 258079407 /nfs/dbraw/zinc/07/94/07/258079407.db2.gz WTRMJKHSCOCJSX-OAHLLOKOSA-N 0 0 334.372 1.404 10 0 EDAERN CO[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000170517241 533393165 /nfs/dbraw/zinc/39/31/65/533393165.db2.gz QPDVSKAOYFVFDK-SNVBAGLBSA-N 0 0 331.199 1.971 10 0 EDAERN COc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc(OC)c1C ZINC000173854876 533526460 /nfs/dbraw/zinc/52/64/60/533526460.db2.gz TYTYIRYJGKIVDD-CJNGLKHVSA-N 0 0 348.443 1.805 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(Br)c(N)c1)[C@H](C)CO ZINC000166819660 533482154 /nfs/dbraw/zinc/48/21/54/533482154.db2.gz TUAZFFIOKNTQLH-HTQZYQBOSA-N 0 0 337.239 1.327 10 0 EDAERN COC(=O)COc1ccc(CN(C)Cc2c(C)nn(C)c2OC)cc1 ZINC000187434140 533555856 /nfs/dbraw/zinc/55/58/56/533555856.db2.gz IVECMZIPJRKZRX-UHFFFAOYSA-N 0 0 347.415 1.921 10 0 EDAERN Cc1ccc(S(=O)(=O)NC[C@H]2Oc3ccccc3N(C)C2=O)cc1 ZINC000049739578 132431841 /nfs/dbraw/zinc/43/18/41/132431841.db2.gz IBFHURHMXGZUEP-MRXNPFEDSA-N 0 0 346.408 1.697 10 0 EDAERN Cc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1Br ZINC000091785357 292058173 /nfs/dbraw/zinc/05/81/73/292058173.db2.gz KFZBJMIHPSBVOR-LLVKDONJSA-N 0 0 327.178 1.084 10 0 EDAERN O=C(Nc1ccccc1CN1C(=O)CCC1=O)N1CC(O)(C2CC2)C1 ZINC000333022308 141251322 /nfs/dbraw/zinc/25/13/22/141251322.db2.gz JQEBFJOWTAIVRF-UHFFFAOYSA-N 0 0 343.383 1.324 10 0 EDAERN CO[C@H]1C[C@H](C(=O)Nc2ccc3cc[nH]c3c2)N(S(C)(=O)=O)C1 ZINC000333373581 141307688 /nfs/dbraw/zinc/30/76/88/141307688.db2.gz ZZMSFXUACWBGLY-GXTWGEPZSA-N 0 0 337.401 1.155 10 0 EDAERN O=C([C@@H]1CCc2cccnc21)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000333476645 141323593 /nfs/dbraw/zinc/32/35/93/141323593.db2.gz ORFDLSHMCOXKLM-CABCVRRESA-N 0 0 345.468 1.678 10 0 EDAERN C[C@H](Cn1cccn1)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000333506290 141328272 /nfs/dbraw/zinc/32/82/72/141328272.db2.gz DGWYPTCHCOHMQV-CQSZACIVSA-N 0 0 330.436 1.669 10 0 EDAERN CO[C@@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@H]1OC ZINC000333724782 141366856 /nfs/dbraw/zinc/36/68/56/141366856.db2.gz VTWHAODSWOZTKN-VXGBXAGGSA-N 0 0 341.433 1.915 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)Cc1nn(C)c2ccccc12 ZINC000333759679 141374797 /nfs/dbraw/zinc/37/47/97/141374797.db2.gz OYQKEPZBUWOOBY-RHSMWYFYSA-N 0 0 342.443 1.437 10 0 EDAERN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)[C@H]1CCCO1 ZINC000246684270 148970403 /nfs/dbraw/zinc/97/04/03/148970403.db2.gz BDRUUOIDPXPDKI-CWRNSKLLSA-N 0 0 331.416 1.618 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)CCC(=O)N(CC)CC)C12CCOCC2 ZINC000187057295 286254882 /nfs/dbraw/zinc/25/48/82/286254882.db2.gz RFAAWTHNGWYQRO-HUUCEWRRSA-N 0 0 340.464 1.725 10 0 EDAERN COc1ccc(Br)cc1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000093885162 286270474 /nfs/dbraw/zinc/27/04/74/286270474.db2.gz SVQZPGYCIGALIK-CMPLNLGQSA-N 0 0 327.178 1.287 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H](CO)CC(C)C)C12CCOCC2 ZINC000185982305 286268988 /nfs/dbraw/zinc/26/89/88/286268988.db2.gz KDZOUGDLCVBBFP-RRFJBIMHSA-N 0 0 328.453 1.667 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCCC(=O)N(C)C)C12CCCC2 ZINC000172605230 286460142 /nfs/dbraw/zinc/46/01/42/286460142.db2.gz GCIHKQSBWBKILA-KGLIPLIRSA-N 0 0 325.453 1.844 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCCCNC(C)=O)C12CCCC2 ZINC000153622098 286460470 /nfs/dbraw/zinc/46/04/70/286460470.db2.gz UOLLQJWUEGNKTO-CABCVRRESA-N 0 0 325.453 1.892 10 0 EDAERN CCn1nccc1CN(C)S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000328743028 161606465 /nfs/dbraw/zinc/60/64/65/161606465.db2.gz JVGPPVRCKXBLBT-UHFFFAOYSA-N 0 0 337.401 1.761 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@H](C)Cn1ccnc1C ZINC000073949745 287266394 /nfs/dbraw/zinc/26/63/94/287266394.db2.gz DQCMPHQDQGXULO-HOCLYGCPSA-N 0 0 349.479 1.870 10 0 EDAERN CNC(=O)CC1CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000074516267 287271244 /nfs/dbraw/zinc/27/12/44/287271244.db2.gz RJOZTZGQFWLSSN-KRWDZBQOSA-N 0 0 339.480 1.548 10 0 EDAERN O=C(Nc1ccccc1-n1cccn1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000078990266 287296709 /nfs/dbraw/zinc/29/67/09/287296709.db2.gz MPTVRJXBRBOHSB-UONOGXRCSA-N 0 0 342.399 1.478 10 0 EDAERN CCCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000081449942 287312904 /nfs/dbraw/zinc/31/29/04/287312904.db2.gz JMFHEPYIRODZGB-CHWSQXEVSA-N 0 0 326.437 1.966 10 0 EDAERN NN[C@H](Cc1ccc(I)cc1)c1csnn1 ZINC000156934830 224744046 /nfs/dbraw/zinc/74/40/46/224744046.db2.gz KCNHNDOZYLLZTJ-SECBINFHSA-N 0 0 346.197 1.890 10 0 EDAERN O=C1CN(c2nnnn2-c2ccccc2)CCN1CC1CCCC1 ZINC000158415957 225010896 /nfs/dbraw/zinc/01/08/96/225010896.db2.gz GNANERJWGMGCEF-UHFFFAOYSA-N 0 0 326.404 1.501 10 0 EDAERN Cn1cc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1 ZINC000159004723 225125601 /nfs/dbraw/zinc/12/56/01/225125601.db2.gz KQQQMCQETAEXQZ-GOEBONIOSA-N 0 0 330.363 1.395 10 0 EDAERN Nc1ccc(NCCn2ccnn2)c(I)c1 ZINC000163714522 226009573 /nfs/dbraw/zinc/00/95/73/226009573.db2.gz PNJWRHVAAGSHEF-UHFFFAOYSA-N 0 0 329.145 1.577 10 0 EDAERN C[C@]1(C(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CCCS1 ZINC000164928840 226104430 /nfs/dbraw/zinc/10/44/30/226104430.db2.gz ZMNBPYTUEYELIF-CQSZACIVSA-N 0 0 326.443 1.509 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@H]2CN3CCC2CC3)cc(N)c1Cl ZINC000164696910 226093219 /nfs/dbraw/zinc/09/32/19/226093219.db2.gz VWZAWQXFVTVGEI-ZDUSSCGKSA-N 0 0 329.853 1.603 10 0 EDAERN Nc1cc(Cl)c(NC(=O)CN2CCO[C@H](CO)C2)c(Cl)c1 ZINC000167025871 226176934 /nfs/dbraw/zinc/17/69/34/226176934.db2.gz VNGGDNXQMJQIGU-VIFPVBQESA-N 0 0 334.203 1.207 10 0 EDAERN Cc1c(N)cnc(N[C@@]2(C)CCS(=O)(=O)C2)c1Br ZINC000165521800 226126001 /nfs/dbraw/zinc/12/60/01/226126001.db2.gz VHVDEBJSKPXSAU-NSHDSACASA-N 0 0 334.239 1.724 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)c1nnc2n1CCCC2 ZINC000165507661 226126014 /nfs/dbraw/zinc/12/60/14/226126014.db2.gz AFIOQXKIVQVULD-JTQLQIEISA-N 0 0 331.351 1.569 10 0 EDAERN [NH3+]C1(COc2nc[n-]c(=O)c2I)CCCC1 ZINC000166429911 226158213 /nfs/dbraw/zinc/15/82/13/226158213.db2.gz MZQXHHDBIJQEJQ-UHFFFAOYSA-N 0 0 335.145 1.025 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(N)c(F)cc1Br ZINC000166937771 226175289 /nfs/dbraw/zinc/17/52/89/226175289.db2.gz KUGQZRBOOXIGNO-JGVFFNPUSA-N 0 0 347.184 1.392 10 0 EDAERN Nc1ccc(Br)c(NC(=O)[C@@H]2CCCCS2(=O)=O)c1 ZINC000167854386 226200331 /nfs/dbraw/zinc/20/03/31/226200331.db2.gz KZCYDQBELBZJOS-NSHDSACASA-N 0 0 347.234 1.937 10 0 EDAERN O=S1(=O)CC[C@H]([C@@H](CO)Cc2ccc(Br)cn2)C1 ZINC000168953191 226227925 /nfs/dbraw/zinc/22/79/25/226227925.db2.gz LWVOKUBAXMVUDO-VHSXEESVSA-N 0 0 334.235 1.430 10 0 EDAERN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1CNC(=O)C1 ZINC000171518255 227118485 /nfs/dbraw/zinc/11/84/85/227118485.db2.gz OYDXJYTWGCPXSQ-ZETCQYMHSA-N 0 0 335.257 1.435 10 0 EDAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123184988 222231839 /nfs/dbraw/zinc/23/18/39/222231839.db2.gz KNOHUXNPCPYDDQ-HZPDHXFCSA-N 0 0 331.416 1.852 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](C)Cn1cccn1 ZINC000123431672 222275976 /nfs/dbraw/zinc/27/59/76/222275976.db2.gz DCVDRQYGINWAMJ-UONOGXRCSA-N 0 0 329.404 1.846 10 0 EDAERN Cc1sc(=O)n(CC(=O)N2CCC(c3ccnn3C)CC2)c1C ZINC000124702918 222467200 /nfs/dbraw/zinc/46/72/00/222467200.db2.gz PDSAFOXSGFXYES-UHFFFAOYSA-N 0 0 334.445 1.666 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000171604599 227171118 /nfs/dbraw/zinc/17/11/18/227171118.db2.gz ITFIPRDJIZQHOJ-INIZCTEOSA-N 0 0 344.390 1.924 10 0 EDAERN O=C(c1cc2ccccc2[nH]c1=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883331 227334977 /nfs/dbraw/zinc/33/49/77/227334977.db2.gz ZYXAOSHHSQHWMB-CQSZACIVSA-N 0 0 338.367 1.266 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3cccc(O)c3)CCO2)n1 ZINC000171903558 227354124 /nfs/dbraw/zinc/35/41/24/227354124.db2.gz GCSHWXOQKWYDDE-QGZVFWFLSA-N 0 0 344.415 1.816 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccccc1C ZINC000151608141 287598228 /nfs/dbraw/zinc/59/82/28/287598228.db2.gz IOCDBSANSDTGSB-DZGCQCFKSA-N 0 0 332.400 1.632 10 0 EDAERN CC(C)Cn1ncc(C(=O)NC[C@@H](C)N2CCOCC2)c1C1CC1 ZINC000153262227 287623256 /nfs/dbraw/zinc/62/32/56/287623256.db2.gz UAYIWIDFWYJPMD-CQSZACIVSA-N 0 0 334.464 1.867 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000188575234 272958448 /nfs/dbraw/zinc/95/84/48/272958448.db2.gz MZJCODKCUSRSIE-YRGRVCCFSA-N 0 0 332.404 1.309 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1cccc(N(C)C)c1)CC2 ZINC000194317107 273002378 /nfs/dbraw/zinc/00/23/78/273002378.db2.gz QFPFVRNLBDCDHX-HNNXBMFYSA-N 0 0 341.459 1.970 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)C1 ZINC000190242463 267790250 /nfs/dbraw/zinc/79/02/50/267790250.db2.gz LMVGHABRHJGUEB-LLVKDONJSA-N 0 0 343.387 1.251 10 0 EDAERN CC(C)n1nnnc1CNc1ccc(N2CCCCC2)cc1C(N)=O ZINC000194988611 267876533 /nfs/dbraw/zinc/87/65/33/267876533.db2.gz QFFFTWXNYYTZKC-UHFFFAOYSA-N 0 0 343.435 1.955 10 0 EDAERN COC(=O)NCCCC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091759326 272917103 /nfs/dbraw/zinc/91/71/03/272917103.db2.gz WQMLCTSAMCPKPD-FZMZJTMJSA-N 0 0 342.342 1.735 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000155749762 272928683 /nfs/dbraw/zinc/92/86/83/272928683.db2.gz BHGXXQMAGYKOLD-GFCCVEGCSA-N 0 0 326.299 1.457 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOC1CCCC1 ZINC000177973783 272942669 /nfs/dbraw/zinc/94/26/69/272942669.db2.gz LFCAYNYFTOWHKE-ZDUSSCGKSA-N 0 0 337.424 1.518 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)O1 ZINC000186791735 272947159 /nfs/dbraw/zinc/94/71/59/272947159.db2.gz RXCGCLPVRPYKPI-NHYWBVRUSA-N 0 0 336.363 1.804 10 0 EDAERN CCCNC(=O)CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000157273256 287682451 /nfs/dbraw/zinc/68/24/51/287682451.db2.gz SXTLHDJJGZLOBR-LBPRGKRZSA-N 0 0 331.338 1.985 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000176284508 276656262 /nfs/dbraw/zinc/65/62/62/276656262.db2.gz VDQUHRSCFXKRGR-NPMABZOXSA-N 0 0 332.429 1.979 10 0 EDAERN CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCCn4ncnc43)ccc21 ZINC000177537496 277011609 /nfs/dbraw/zinc/01/16/09/277011609.db2.gz DJRTVCVBEGWDMM-CQSZACIVSA-N 0 0 325.372 1.452 10 0 EDAERN COc1ccc2sc(C(=O)N3CCOC[C@H]3C(N)=O)c(C)c2c1 ZINC000091782930 277450761 /nfs/dbraw/zinc/45/07/61/277450761.db2.gz UKZBLIQYCSWLON-LBPRGKRZSA-N 0 0 334.397 1.545 10 0 EDAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172830111 277647352 /nfs/dbraw/zinc/64/73/52/277647352.db2.gz CZQCDNNKSJCMSB-HZPDHXFCSA-N 0 0 349.475 1.398 10 0 EDAERN CC(C)[C@@H]1N(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@]12CCCO2 ZINC000329338922 277827017 /nfs/dbraw/zinc/82/70/17/277827017.db2.gz QTBDLGBUPWQEHD-GOEBONIOSA-N 0 0 344.477 1.074 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccnc1N1CCCC1 ZINC000081583833 279136947 /nfs/dbraw/zinc/13/69/47/279136947.db2.gz CXVQTKAHFVFJOI-CQSZACIVSA-N 0 0 326.404 1.847 10 0 EDAERN CC(C)N(CCN(C)C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000245918069 279433143 /nfs/dbraw/zinc/43/31/43/279433143.db2.gz FZTVGJYOCAOZDK-YOEHRIQHSA-N 0 0 344.521 1.984 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc2c(c1)NC(=O)CCS2 ZINC000175713155 279894336 /nfs/dbraw/zinc/89/43/36/279894336.db2.gz QJYLWOBRTVJYAM-LLVKDONJSA-N 0 0 343.412 1.977 10 0 EDAERN CCSc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000173832258 280062917 /nfs/dbraw/zinc/06/29/17/280062917.db2.gz SSZMJILTKKYFJB-UKRRQHHQSA-N 0 0 335.473 1.986 10 0 EDAERN O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1ccccc1F ZINC000173952590 280324998 /nfs/dbraw/zinc/32/49/98/280324998.db2.gz BEMOZEYSNPMDBV-WMLDXEAASA-N 0 0 333.407 1.338 10 0 EDAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000253548138 288316916 /nfs/dbraw/zinc/31/69/16/288316916.db2.gz DHPLQCATOHUOPU-RYUDHWBXSA-N 0 0 343.387 1.135 10 0 EDAERN C[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000091781285 289290717 /nfs/dbraw/zinc/29/07/17/289290717.db2.gz AQQMXWJHGMFZPM-JOYOIKCWSA-N 0 0 341.205 1.265 10 0 EDAERN Cc1csc(N2CCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)n1 ZINC000177345543 293034913 /nfs/dbraw/zinc/03/49/13/293034913.db2.gz TXQYXHBQOQYKMG-GFCCVEGCSA-N 0 0 347.448 1.410 10 0 EDAERN CO[C@@H](C)CNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000189613269 293444457 /nfs/dbraw/zinc/44/44/57/293444457.db2.gz QNEXXQGQUUHXLL-NHYWBVRUSA-N 0 0 347.440 1.834 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)n1 ZINC000155388488 293980121 /nfs/dbraw/zinc/98/01/21/293980121.db2.gz OSIXTASHWILOQN-CQSZACIVSA-N 0 0 344.371 1.159 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000091782159 295120118 /nfs/dbraw/zinc/12/01/18/295120118.db2.gz LESPOSZOHGFLCX-JTQLQIEISA-N 0 0 334.319 1.625 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000157588452 301649203 /nfs/dbraw/zinc/64/92/03/301649203.db2.gz GAAMYILAVVFCCF-DGCLKSJQSA-N 0 0 325.434 1.224 10 0 EDAERN Cn1ncnc1[C@H]1COCCN1C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000328871779 303103561 /nfs/dbraw/zinc/10/35/61/303103561.db2.gz IMKBELDVAYFWPL-GXTWGEPZSA-N 0 0 341.371 1.491 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1)C1CC1 ZINC000251724938 303747658 /nfs/dbraw/zinc/74/76/58/303747658.db2.gz MDEJWMJTYNYIMJ-RBSFLKMASA-N 0 0 333.432 1.254 10 0 EDAERN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ncnc3n[nH]cc32)C1 ZINC000547681384 306107694 /nfs/dbraw/zinc/10/76/94/306107694.db2.gz UWPZCXTTWNCPJB-HNNXBMFYSA-N 0 0 343.416 1.360 10 0 EDAERN CCOc1cc(/C=C2/NC(=S)N(CCCOC)C2=O)ccc1O ZINC000002791879 440876638 /nfs/dbraw/zinc/87/66/38/440876638.db2.gz PWOMLQPLKSZOFC-FMIVXFBMSA-N 0 0 336.413 1.885 10 0 EDAERN COC(=O)C1=C(O)[C@@H]2C[C@H](C1)C1(SCCS1)[C@@H](C(=O)OC)C2 ZINC000004012649 440908861 /nfs/dbraw/zinc/90/88/61/440908861.db2.gz PPOMXPITWUCVEV-CHWFTXMASA-N 0 0 344.454 1.740 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000045816047 441044076 /nfs/dbraw/zinc/04/40/76/441044076.db2.gz BOPBBVCXGGEVPN-LLVKDONJSA-N 0 0 344.458 1.394 10 0 EDAERN COC(=O)CCCNS(=O)(=O)c1ccccc1Br ZINC000007304579 441044735 /nfs/dbraw/zinc/04/47/35/441044735.db2.gz LQYBAYQKBDFEKW-UHFFFAOYSA-N 0 0 336.207 1.681 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccnc2)[C@@H](C(=O)[O-])C1 ZINC000008698916 441098295 /nfs/dbraw/zinc/09/82/95/441098295.db2.gz BSLXXDJVYLOXKU-UONOGXRCSA-N 0 0 335.404 1.881 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N(CC(N)=O)C(C)C)C(C)C ZINC000070689233 441115007 /nfs/dbraw/zinc/11/50/07/441115007.db2.gz SPRNBLLJPZCCQK-MRXNPFEDSA-N 0 0 333.432 1.472 10 0 EDAERN C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000046971181 441143719 /nfs/dbraw/zinc/14/37/19/441143719.db2.gz YJHDDDJRHQORAN-CZUORRHYSA-N 0 0 349.406 1.861 10 0 EDAERN Nc1nc(=O)c(CCCCC[C@@H](O)c2nc3ccccc3o2)c(N)[nH]1 ZINC000013858965 441167924 /nfs/dbraw/zinc/16/79/24/441167924.db2.gz SOLJLFVWXNCKMV-GFCCVEGCSA-N 0 0 343.387 1.912 10 0 EDAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)c1cccs1 ZINC000017842471 441244962 /nfs/dbraw/zinc/24/49/62/441244962.db2.gz XGYOYEPBEIUHFZ-VIFPVBQESA-N 0 0 330.417 1.805 10 0 EDAERN COc1cccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000017852158 441245219 /nfs/dbraw/zinc/24/52/19/441245219.db2.gz CUSQCXWQKFSXLQ-LLVKDONJSA-N 0 0 334.397 1.834 10 0 EDAERN CCNC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000105282063 441248238 /nfs/dbraw/zinc/24/82/38/441248238.db2.gz AXLOXURHWZYQQX-CQSZACIVSA-N 0 0 334.420 1.197 10 0 EDAERN C[C@@H]1CCCN(c2cc(N3CCN(c4cccnn4)CC3)ncn2)C1 ZINC000105789239 441269566 /nfs/dbraw/zinc/26/95/66/441269566.db2.gz XVBWYTKNWZQFPC-OAHLLOKOSA-N 0 0 339.447 1.830 10 0 EDAERN C[C@H](C(=O)NCc1ccccc1)N1CCCN(c2cccnn2)CC1 ZINC000105798186 441272279 /nfs/dbraw/zinc/27/22/79/441272279.db2.gz MYILKVYAMINKRO-MRXNPFEDSA-N 0 0 339.443 1.694 10 0 EDAERN CC(C)CCOCCNC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105800220 441273055 /nfs/dbraw/zinc/27/30/55/441273055.db2.gz UPUIIPOBODGGJO-UHFFFAOYSA-N 0 0 349.479 1.168 10 0 EDAERN Cc1nnc(CN(C)[C@H]2CCCN(c3cccnn3)C2)n1C1CC1 ZINC000105804233 441274873 /nfs/dbraw/zinc/27/48/73/441274873.db2.gz VDHBZGGUUFJJHJ-HNNXBMFYSA-N 0 0 327.436 1.812 10 0 EDAERN Cc1nnc(CN2CCC(N(C)c3cccnn3)CC2)n1C1CC1 ZINC000105807448 441275695 /nfs/dbraw/zinc/27/56/95/441275695.db2.gz RMUFDPNWRSSDEY-UHFFFAOYSA-N 0 0 327.436 1.812 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000105829069 441283089 /nfs/dbraw/zinc/28/30/89/441283089.db2.gz RFTHIMKGZSPBIG-DLBZAZTESA-N 0 0 333.476 1.906 10 0 EDAERN COCCN1CCN(CC(=O)NCCc2ccccc2C)C[C@H]1C ZINC000105832701 441285734 /nfs/dbraw/zinc/28/57/34/441285734.db2.gz LJIHEDSQTMMESH-QGZVFWFLSA-N 0 0 333.476 1.306 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2cccs2)C[C@@H]1C ZINC000105834552 441286908 /nfs/dbraw/zinc/28/69/08/441286908.db2.gz YDZIJDXZANCCNK-AWEZNQCLSA-N 0 0 325.478 1.407 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2cc(C)ccc2OC)C[C@@H]1C ZINC000105834624 441287660 /nfs/dbraw/zinc/28/76/60/441287660.db2.gz VAJLELXVEOUJQJ-INIZCTEOSA-N 0 0 349.475 1.985 10 0 EDAERN COCCN1CCN(CC(=O)NCc2cc(F)cc(F)c2)C[C@H]1C ZINC000105833927 441288021 /nfs/dbraw/zinc/28/80/21/441288021.db2.gz SLGGVEGFPFHCMX-CYBMUJFWSA-N 0 0 341.402 1.234 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000081587046 441293610 /nfs/dbraw/zinc/29/36/10/441293610.db2.gz UNYBUJFVNSNCFO-KDOFPFPSSA-N 0 0 340.383 1.709 10 0 EDAERN CCN(CC)C(=O)CN1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000106381892 441336216 /nfs/dbraw/zinc/33/62/16/441336216.db2.gz UKYPSLSFCWLRIK-IBGZPJMESA-N 0 0 333.476 1.380 10 0 EDAERN Cn1cc(CN2CCCN(CC(=O)N3CCCCCC3)CC2)cn1 ZINC000105869121 441298632 /nfs/dbraw/zinc/29/86/32/441298632.db2.gz NGADEVXZLXJIIT-UHFFFAOYSA-N 0 0 333.480 1.330 10 0 EDAERN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1cc(F)ccc1F ZINC000105882914 441305450 /nfs/dbraw/zinc/30/54/50/441305450.db2.gz MZTPKWVPWFYLFG-LBPRGKRZSA-N 0 0 335.358 1.907 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NCC(F)(F)F)C2)n1 ZINC000105884702 441306592 /nfs/dbraw/zinc/30/65/92/441306592.db2.gz MSVCWNNVVHAJFU-GFCCVEGCSA-N 0 0 333.358 1.285 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)N([C@@H](C)C3CC3)C3CC3)CCO2)c1 ZINC000105892682 441310379 /nfs/dbraw/zinc/31/03/79/441310379.db2.gz AWUXLYOSZDCREX-YJBOKZPZSA-N 0 0 346.475 1.682 10 0 EDAERN C[C@H](CNC(=O)NCCOc1ccc(F)c(F)c1)N1CCOCC1 ZINC000106529791 441350971 /nfs/dbraw/zinc/35/09/71/441350971.db2.gz CWGCOYRFQQLHAB-GFCCVEGCSA-N 0 0 343.374 1.364 10 0 EDAERN NC(=O)COc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000028438545 441432850 /nfs/dbraw/zinc/43/28/50/441432850.db2.gz RRSLKAGWNLCBIP-HNNXBMFYSA-N 0 0 326.352 1.804 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1ccc(Cl)s1 ZINC000086446932 441466593 /nfs/dbraw/zinc/46/65/93/441466593.db2.gz LDFHMIYKGCJIKI-MRVPVSSYSA-N 0 0 339.804 1.916 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NC[C@H](C)Cn3cccn3)CCO2)c1 ZINC000112108773 441544650 /nfs/dbraw/zinc/54/46/50/441544650.db2.gz CRGFYIRABLYZFM-HOCLYGCPSA-N 0 0 346.435 1.135 10 0 EDAERN NS(=O)(=O)c1nn2cc(-c3cc4ccccc4oc3=O)nc2s1 ZINC000033895650 441598475 /nfs/dbraw/zinc/59/84/75/441598475.db2.gz SXWVOIKIEIZZDG-UHFFFAOYSA-N 0 0 348.365 1.212 10 0 EDAERN COC(=O)[C@H](CCC(OC)OC)NC(=O)OCc1ccccc1 ZINC000036415990 441607589 /nfs/dbraw/zinc/60/75/89/441607589.db2.gz OVUWEBXVJJXAHY-ZDUSSCGKSA-N 0 0 325.361 1.854 10 0 EDAERN CCCN(CC1CC1)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000041958151 441688240 /nfs/dbraw/zinc/68/82/40/441688240.db2.gz AKXZQWGAUFUYIL-LBPRGKRZSA-N 0 0 349.456 1.762 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)CC2 ZINC000114911378 441696345 /nfs/dbraw/zinc/69/63/45/441696345.db2.gz SNLLWEBZZUHXIG-OLZOCXBDSA-N 0 0 346.435 1.350 10 0 EDAERN Cc1csc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(N)=O)n1 ZINC000067939349 441698912 /nfs/dbraw/zinc/69/89/12/441698912.db2.gz DGEJAMNDGKGSTN-YPMHNXCESA-N 0 0 332.429 1.908 10 0 EDAERN CCc1cnc(CNC(=O)N2CCN(CCOC)[C@H](C)C2)s1 ZINC000173397711 441734091 /nfs/dbraw/zinc/73/40/91/441734091.db2.gz RTYSWPXCMHSIOG-GFCCVEGCSA-N 0 0 326.466 1.568 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000136984728 441736693 /nfs/dbraw/zinc/73/66/93/441736693.db2.gz OZMKSEKEEVTUEL-QFBILLFUSA-N 0 0 345.443 1.883 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C3CC3)on2)ncn1 ZINC000173415092 441741739 /nfs/dbraw/zinc/74/17/39/441741739.db2.gz ZXQSYJZTDHRIJO-LBPRGKRZSA-N 0 0 342.403 1.783 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000042648168 441765099 /nfs/dbraw/zinc/76/50/99/441765099.db2.gz QMOKIQAQIXQVEM-ZDUSSCGKSA-N 0 0 330.388 1.753 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N(C)CCN1CCOCC1 ZINC000173340308 441719602 /nfs/dbraw/zinc/71/96/02/441719602.db2.gz WDUCPTCINCZUGA-INIZCTEOSA-N 0 0 335.448 1.565 10 0 EDAERN C[C@H](CNC(=O)N[C@@H](CCO)C1CCCCC1)N1CCOCC1 ZINC000136812373 441726053 /nfs/dbraw/zinc/72/60/53/441726053.db2.gz UXRWKQZICDHHES-ZBFHGGJFSA-N 0 0 327.469 1.338 10 0 EDAERN COC(=O)[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000173369817 441726890 /nfs/dbraw/zinc/72/68/90/441726890.db2.gz SQLNBLJXVOEGML-HNNXBMFYSA-N 0 0 344.342 1.472 10 0 EDAERN COc1ccc(-c2n[nH]cc2C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000173370793 441727143 /nfs/dbraw/zinc/72/71/43/441727143.db2.gz XUBYNWLBCWCNJU-GFCCVEGCSA-N 0 0 338.371 1.422 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(F)cc3F)CCO2)[nH]1 ZINC000173657136 441815843 /nfs/dbraw/zinc/81/58/43/441815843.db2.gz LWARBCUJLBPFEQ-CYBMUJFWSA-N 0 0 337.330 1.403 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3cccc(C)c3C)CCO2)[nH]1 ZINC000173661937 441817848 /nfs/dbraw/zinc/81/78/48/441817848.db2.gz JOCAVNRIXISOFD-OAHLLOKOSA-N 0 0 329.404 1.742 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)COc3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000173559599 441791321 /nfs/dbraw/zinc/79/13/21/441791321.db2.gz FLEATYZMFXORII-HNNXBMFYSA-N 0 0 344.415 1.963 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116122803 441795386 /nfs/dbraw/zinc/79/53/86/441795386.db2.gz XAXSVVFSRYQLHI-UONOGXRCSA-N 0 0 334.420 1.605 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)NCc3ccc(F)cc3)C2)c1 ZINC000173573767 441795680 /nfs/dbraw/zinc/79/56/80/441795680.db2.gz UWOQQYXFXQOBPW-INIZCTEOSA-N 0 0 344.390 1.811 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)[nH]1 ZINC000173580023 441798054 /nfs/dbraw/zinc/79/80/54/441798054.db2.gz PZNFQYUZFAAJTJ-LBPRGKRZSA-N 0 0 326.360 1.457 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)[nH]1 ZINC000173580035 441798567 /nfs/dbraw/zinc/79/85/67/441798567.db2.gz PZNFQYUZFAAJTJ-GFCCVEGCSA-N 0 0 326.360 1.457 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)CCCCc3c[nH]nn3)CCO2)n1 ZINC000139316942 441812399 /nfs/dbraw/zinc/81/23/99/441812399.db2.gz WPTSTDZDTMNIFQ-MRXNPFEDSA-N 0 0 346.435 1.258 10 0 EDAERN CC[C@H](C)CS(=O)(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173899895 441858664 /nfs/dbraw/zinc/85/86/64/441858664.db2.gz HARZPAMBSGSDKR-STQMWFEESA-N 0 0 341.481 1.453 10 0 EDAERN CCOC(=O)c1c2c(sc1N1CCOCC1)C(=O)NC(C)(C)C2 ZINC000143357505 441871666 /nfs/dbraw/zinc/87/16/66/441871666.db2.gz SKAGDPRQOUBYQK-UHFFFAOYSA-N 0 0 338.429 1.826 10 0 EDAERN COCCN(C)S(=O)(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173724506 441830265 /nfs/dbraw/zinc/83/02/65/441830265.db2.gz ONDHGOLBHBOGCI-NSHDSACASA-N 0 0 332.426 1.153 10 0 EDAERN O=C(NCCn1ccnc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000043311695 441833074 /nfs/dbraw/zinc/83/30/74/441833074.db2.gz ASBAEEKLRLTZRQ-CYBMUJFWSA-N 0 0 334.401 1.101 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)NCc3ccc(F)cc3)C2)cn1 ZINC000173786903 441839959 /nfs/dbraw/zinc/83/99/59/441839959.db2.gz MUCPIUHESOZCGQ-ZDUSSCGKSA-N 0 0 330.363 1.192 10 0 EDAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1)C1CC1 ZINC000077747194 441845729 /nfs/dbraw/zinc/84/57/29/441845729.db2.gz GHNSINLEZKFMMZ-BZNIZROVSA-N 0 0 329.400 1.661 10 0 EDAERN COCCOC1CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000116824813 441852146 /nfs/dbraw/zinc/85/21/46/441852146.db2.gz VNIXRQIRJZALAP-KRWDZBQOSA-N 0 0 342.480 1.827 10 0 EDAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000141501717 441852742 /nfs/dbraw/zinc/85/27/42/441852742.db2.gz LVYWSBURBHKLGS-ZFWWWQNUSA-N 0 0 326.404 1.843 10 0 EDAERN O=S(=O)(c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)nc1)N1CCOCC1 ZINC000078370871 441925760 /nfs/dbraw/zinc/92/57/60/441925760.db2.gz ATSNORBKCDBXAQ-HUUCEWRRSA-N 0 0 349.456 1.505 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000124952609 441969678 /nfs/dbraw/zinc/96/96/78/441969678.db2.gz KSVFWNAYXQUZJS-UHFFFAOYSA-N 0 0 347.440 1.843 10 0 EDAERN C[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)Oc1ccc(F)cc1 ZINC000175001729 441993248 /nfs/dbraw/zinc/99/32/48/441993248.db2.gz DYJGKJTWJCVBSF-KBPBESRZSA-N 0 0 339.411 1.613 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000125222160 441998801 /nfs/dbraw/zinc/99/88/01/441998801.db2.gz GIIXMZMKKLDGRJ-AWEZNQCLSA-N 0 0 343.383 1.337 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3nc(CC)cc(=O)[nH]3)CC2)n1 ZINC000120074723 442003222 /nfs/dbraw/zinc/00/32/22/442003222.db2.gz HOKOBSLEFQHBER-UHFFFAOYSA-N 0 0 344.419 1.256 10 0 EDAERN Cc1cnc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000175129561 442008670 /nfs/dbraw/zinc/00/86/70/442008670.db2.gz RLQFILZXADMKCV-LLVKDONJSA-N 0 0 334.449 1.981 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1(CO)COC1 ZINC000151182335 442019803 /nfs/dbraw/zinc/01/98/03/442019803.db2.gz RUYGEVVZPPWXAG-SECBINFHSA-N 0 0 334.199 1.886 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3OCCc4ccccc43)CCO2)[nH]1 ZINC000151277677 442036610 /nfs/dbraw/zinc/03/66/10/442036610.db2.gz GVCIUTAHCWPAQY-GOEBONIOSA-N 0 0 342.399 1.581 10 0 EDAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151281080 442037876 /nfs/dbraw/zinc/03/78/76/442037876.db2.gz KIOBIBXUJISSHK-SIXWZSSISA-N 0 0 329.396 1.922 10 0 EDAERN CC[C@H](C)CS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000151313459 442040989 /nfs/dbraw/zinc/04/09/89/442040989.db2.gz XDFQYOULVDVMNU-DOTOQJQBSA-N 0 0 340.489 1.714 10 0 EDAERN C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)c1cccs1 ZINC000175626040 442096179 /nfs/dbraw/zinc/09/61/79/442096179.db2.gz VHSNXLIUHIPIJT-OLZOCXBDSA-N 0 0 327.450 1.144 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)Cc2c(C)noc2C)C[C@H]1C ZINC000162434145 442093865 /nfs/dbraw/zinc/09/38/65/442093865.db2.gz LTSSUGDSXMYQFV-QWHCGFSZSA-N 0 0 338.452 1.585 10 0 EDAERN Cc1cc(N2CC[C@@H](NC(=O)N[C@H](C)c3ccc(C)o3)C2=O)n(C)n1 ZINC000175339567 442044498 /nfs/dbraw/zinc/04/44/98/442044498.db2.gz IHQWZFCZNKEHBB-CHWSQXEVSA-N 0 0 345.403 1.796 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3ccnn3C)CC2)n1 ZINC000125790733 442049201 /nfs/dbraw/zinc/04/92/01/442049201.db2.gz PEAHNWMSBXDQCK-LLVKDONJSA-N 0 0 333.396 1.276 10 0 EDAERN CCN1CCC[C@@H](NC(=O)Nc2ccccc2CS(C)(=O)=O)C1 ZINC000069822969 442050115 /nfs/dbraw/zinc/05/01/15/442050115.db2.gz XFKOQLPQLAKIGB-CQSZACIVSA-N 0 0 339.461 1.837 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)COc3ccccc3O)CCO2)n1 ZINC000151625581 442095377 /nfs/dbraw/zinc/09/53/77/442095377.db2.gz HBWLMRGFDJHIGG-HNNXBMFYSA-N 0 0 345.399 1.512 10 0 EDAERN C[C@H](NC(=O)N(C)C[C@@H](O)CN1CCOCC1)c1cccs1 ZINC000175626063 442095465 /nfs/dbraw/zinc/09/54/65/442095465.db2.gz VHSNXLIUHIPIJT-QWHCGFSZSA-N 0 0 327.450 1.144 10 0 EDAERN O=C(CS(=O)(=O)C1CCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151560536 442084232 /nfs/dbraw/zinc/08/42/32/442084232.db2.gz XXATXPAPTFOOIO-BBRMVZONSA-N 0 0 329.462 1.497 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000120665926 442113798 /nfs/dbraw/zinc/11/37/98/442113798.db2.gz ALHFXXZOUAPCKZ-GUYCJALGSA-N 0 0 345.443 1.568 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000175753860 442116659 /nfs/dbraw/zinc/11/66/59/442116659.db2.gz DCHFPBWJQSIJPG-LBPRGKRZSA-N 0 0 345.403 1.529 10 0 EDAERN C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000126489649 442117310 /nfs/dbraw/zinc/11/73/10/442117310.db2.gz CAQDPQOSSLRXBD-ZFWWWQNUSA-N 0 0 326.462 1.099 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)OC ZINC000162722052 442118222 /nfs/dbraw/zinc/11/82/22/442118222.db2.gz JWXCYTATZCSRSW-AWEZNQCLSA-N 0 0 332.400 1.914 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Cl)cc1Cl ZINC000175775700 442120406 /nfs/dbraw/zinc/12/04/06/442120406.db2.gz HEORHRWIRTZCPO-NSHDSACASA-N 0 0 348.230 1.808 10 0 EDAERN Cc1ccc(CCNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000175790493 442122772 /nfs/dbraw/zinc/12/27/72/442122772.db2.gz GRKHYJUMJUHYQB-WMZOPIPTSA-N 0 0 331.460 1.900 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000175794159 442123935 /nfs/dbraw/zinc/12/39/35/442123935.db2.gz DJJHNNNVZWVPCU-QWHCGFSZSA-N 0 0 342.417 1.280 10 0 EDAERN O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](Cn2cncn2)C1 ZINC000126646263 442130093 /nfs/dbraw/zinc/13/00/93/442130093.db2.gz CFPYZZCIOCAWLV-AWEZNQCLSA-N 0 0 328.372 1.488 10 0 EDAERN CC(C)CC[C@H](C)NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000151874018 442133220 /nfs/dbraw/zinc/13/32/20/442133220.db2.gz QMRPSBDCGRFKBM-AWEZNQCLSA-N 0 0 345.451 1.781 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2c(F)cccc2F)C[C@@H]1C ZINC000162998747 442137514 /nfs/dbraw/zinc/13/75/14/442137514.db2.gz GVCZKQZSIZSKJE-LBPRGKRZSA-N 0 0 348.415 1.447 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000175888178 442140747 /nfs/dbraw/zinc/14/07/47/442140747.db2.gz ATWVPJZBMLLBDE-CHWSQXEVSA-N 0 0 335.408 1.216 10 0 EDAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000162500451 442098812 /nfs/dbraw/zinc/09/88/12/442098812.db2.gz WMOVKFWSKCIZKC-LLVKDONJSA-N 0 0 348.794 1.437 10 0 EDAERN COc1cccc(CCNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175658482 442100860 /nfs/dbraw/zinc/10/08/60/442100860.db2.gz BGSVMNIZABFPNP-CRAIPNDOSA-N 0 0 347.459 1.600 10 0 EDAERN COc1ccc(CNC(=O)N2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000175668024 442102850 /nfs/dbraw/zinc/10/28/50/442102850.db2.gz WLGQFXBOJDJPQW-HNNXBMFYSA-N 0 0 329.404 1.969 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)N[C@@H](COC)C3CC3)CC2)cn1 ZINC000127101661 442171136 /nfs/dbraw/zinc/17/11/36/442171136.db2.gz SZPYKPRXUHSVCO-KRWDZBQOSA-N 0 0 349.479 1.545 10 0 EDAERN CCSc1cccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176104550 442177332 /nfs/dbraw/zinc/17/73/32/442177332.db2.gz VONMKVWMSAMOFJ-ZDUSSCGKSA-N 0 0 345.428 1.980 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CSCC(=O)OC(C)(C)C)C2)cn1 ZINC000127181182 442178613 /nfs/dbraw/zinc/17/86/13/442178613.db2.gz CLMLAXYGJPAOPD-LBPRGKRZSA-N 0 0 339.461 1.811 10 0 EDAERN CCCCNC(=O)C1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000121334657 442204619 /nfs/dbraw/zinc/20/46/19/442204619.db2.gz JHXWQOZVPLFUHA-HIFRSBDPSA-N 0 0 325.453 1.892 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000152323339 442197763 /nfs/dbraw/zinc/19/77/63/442197763.db2.gz VXUXLNDYLWXSDK-UHFFFAOYSA-N 0 0 333.436 1.528 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C2=C(C)OCCC2)CC1 ZINC000152001186 442151948 /nfs/dbraw/zinc/15/19/48/442151948.db2.gz ZXINDGAMWADRCO-UHFFFAOYSA-N 0 0 332.448 1.766 10 0 EDAERN CN(C)c1c(Cl)cccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120958644 442157930 /nfs/dbraw/zinc/15/79/30/442157930.db2.gz FDQXHNIUFNEHFS-JTQLQIEISA-N 0 0 325.796 1.328 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)CCc2cccn2C)C[C@@H]1C ZINC000176036410 442164833 /nfs/dbraw/zinc/16/48/33/442164833.db2.gz FAIBDEXTBFDKFG-HOTGVXAUSA-N 0 0 336.480 1.708 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(F)c(F)c1F ZINC000176742366 442252561 /nfs/dbraw/zinc/25/25/61/442252561.db2.gz RZYUMRIFXFENCC-MRVPVSSYSA-N 0 0 332.307 1.509 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCCn3ncnc32)c(O)c1 ZINC000176323012 442209870 /nfs/dbraw/zinc/20/98/70/442209870.db2.gz XCDRXXDNYZXPPE-CYBMUJFWSA-N 0 0 343.387 1.063 10 0 EDAERN C[C@@H](CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cn1ccnc1 ZINC000176384610 442216246 /nfs/dbraw/zinc/21/62/46/442216246.db2.gz ZXXWNSSQSQYEEL-UONOGXRCSA-N 0 0 336.436 1.892 10 0 EDAERN COc1ccc([C@@H](C)CCNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000176438131 442221903 /nfs/dbraw/zinc/22/19/03/442221903.db2.gz QITHQTHIZAEKRY-YOEHRIQHSA-N 0 0 335.448 1.819 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccc[nH]c1=O ZINC000176543399 442232406 /nfs/dbraw/zinc/23/24/06/442232406.db2.gz YCKBUOOSDPJDSB-AWEZNQCLSA-N 0 0 347.440 1.994 10 0 EDAERN CC[C@H](NC(=O)N[C@@H]1CCCn2nc(COC)nc21)[C@H]1CCCO1 ZINC000127946757 442235139 /nfs/dbraw/zinc/23/51/39/442235139.db2.gz JSUUSUWIWQMMAB-YNEHKIRRSA-N 0 0 337.424 1.516 10 0 EDAERN Cc1ccc([C@H](CNC(=O)[C@H](C)n2cncn2)N2CCOCC2)s1 ZINC000176573700 442236061 /nfs/dbraw/zinc/23/60/61/442236061.db2.gz MXCPKGNETLSYNY-KBPBESRZSA-N 0 0 349.460 1.399 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)c2cnns2)c2cccs2)CCO1 ZINC000176601324 442238596 /nfs/dbraw/zinc/23/85/96/442238596.db2.gz FKGHJTYEYJTZAG-QWRGUYRKSA-N 0 0 338.458 1.791 10 0 EDAERN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)[nH]n1 ZINC000152762613 442242377 /nfs/dbraw/zinc/24/23/77/442242377.db2.gz YVFUFUGMIPYYPU-WCQYABFASA-N 0 0 345.451 1.678 10 0 EDAERN COc1ccc(C(=O)CCCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000170683851 442248014 /nfs/dbraw/zinc/24/80/14/442248014.db2.gz VUQRJHPVZOCNHY-MRXNPFEDSA-N 0 0 334.416 1.495 10 0 EDAERN COc1ccc(CCNC(=O)N[C@H]2CCCn3ncnc32)cc1OC ZINC000176834906 442262328 /nfs/dbraw/zinc/26/23/28/442262328.db2.gz HDHYGMHSGDTPBH-ZDUSSCGKSA-N 0 0 345.403 1.672 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000176836116 442262607 /nfs/dbraw/zinc/26/26/07/442262607.db2.gz HJOSZVOHLYSHCD-CYBMUJFWSA-N 0 0 325.434 1.678 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(F)cc1 ZINC000176845136 442263024 /nfs/dbraw/zinc/26/30/24/442263024.db2.gz FXUYNIAJCYRQBR-ZDUSSCGKSA-N 0 0 345.378 1.361 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000170807229 442266780 /nfs/dbraw/zinc/26/67/80/442266780.db2.gz FAEGTZIDVSWYDR-JOYOIKCWSA-N 0 0 340.221 1.887 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cccnc2OCC(F)F)C[C@H]1C ZINC000128620496 442278059 /nfs/dbraw/zinc/27/80/59/442278059.db2.gz BOLRGFHSAZEMOH-VXGBXAGGSA-N 0 0 343.374 1.253 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)C[C@@H]1C ZINC000176792254 442258561 /nfs/dbraw/zinc/25/85/61/442258561.db2.gz RAHCJADCOXLCCP-YESZJQIVSA-N 0 0 341.496 1.800 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(CC)(CC)CO ZINC000154045677 442319073 /nfs/dbraw/zinc/31/90/73/442319073.db2.gz CTGUNAYJYKOWCK-ZDUSSCGKSA-N 0 0 334.482 1.106 10 0 EDAERN COc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177308168 442326959 /nfs/dbraw/zinc/32/69/59/442326959.db2.gz GXCJVVZKNRBIJM-CHWSQXEVSA-N 0 0 331.376 1.154 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000177317946 442328123 /nfs/dbraw/zinc/32/81/23/442328123.db2.gz JKNVAMYIIKUFNW-OAHLLOKOSA-N 0 0 344.394 1.784 10 0 EDAERN O=C(CCNC(=O)N[C@@H]1CCCn2ncnc21)N1CCCCCC1 ZINC000177340627 442330062 /nfs/dbraw/zinc/33/00/62/442330062.db2.gz UWMYQKZVUCAGII-CYBMUJFWSA-N 0 0 334.424 1.205 10 0 EDAERN CN(C)C(=O)C1(CNC(=O)N[C@@H]2CCCn3ncnc32)CCCC1 ZINC000177341547 442330205 /nfs/dbraw/zinc/33/02/05/442330205.db2.gz OTFGNMOVFADLJU-GFCCVEGCSA-N 0 0 334.424 1.061 10 0 EDAERN COc1ccc([C@@H](O)CNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177354388 442331207 /nfs/dbraw/zinc/33/12/07/442331207.db2.gz GEUNRRUDBHMKQH-KBPBESRZSA-N 0 0 331.376 1.154 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177356438 442331805 /nfs/dbraw/zinc/33/18/05/442331805.db2.gz JBKVRRZOYCZSEQ-AWEZNQCLSA-N 0 0 342.403 1.362 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccnc1-n1cccn1 ZINC000129804693 442332000 /nfs/dbraw/zinc/33/20/00/442332000.db2.gz MWIBLGZJHFYWRE-NSHDSACASA-N 0 0 325.328 1.617 10 0 EDAERN CC(C)C(=O)NCCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177357152 442332034 /nfs/dbraw/zinc/33/20/34/442332034.db2.gz VDYUELZEKMLUCB-GFCCVEGCSA-N 0 0 337.424 1.812 10 0 EDAERN COC[C@@H](C)C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000177517170 442352004 /nfs/dbraw/zinc/35/20/04/442352004.db2.gz FJTADUBGNIUKJP-OCCSQVGLSA-N 0 0 343.420 1.624 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000177202367 442312971 /nfs/dbraw/zinc/31/29/71/442312971.db2.gz ZUCVLBMSNFJEPH-JSGCOSHPSA-N 0 0 330.388 1.594 10 0 EDAERN Cc1cc(C)cc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177235957 442317963 /nfs/dbraw/zinc/31/79/63/442317963.db2.gz JAPBWVWDFHGASS-FUHWJXTLSA-N 0 0 331.460 1.894 10 0 EDAERN Cc1ccc(-c2noc([C@H](C)S(=O)(=O)C[C@@H](O)CO)n2)cc1F ZINC000177673880 442368642 /nfs/dbraw/zinc/36/86/42/442368642.db2.gz SUXZTVDMFXMWQP-ONGXEEELSA-N 0 0 344.364 1.013 10 0 EDAERN CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000177688101 442371529 /nfs/dbraw/zinc/37/15/29/442371529.db2.gz DBVWILJCHKSKGH-STQMWFEESA-N 0 0 337.424 1.470 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(Cl)ccc1Cl ZINC000131666183 442377400 /nfs/dbraw/zinc/37/74/00/442377400.db2.gz GYVVXKRMPYTZGX-NSHDSACASA-N 0 0 348.230 1.808 10 0 EDAERN CC1(C)C[C@@H](NC(=O)CCNS(C)(=O)=O)c2ccccc2O1 ZINC000177780484 442383433 /nfs/dbraw/zinc/38/34/33/442383433.db2.gz JVMFWFHCYBYAGO-GFCCVEGCSA-N 0 0 326.418 1.344 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC000132366418 442391577 /nfs/dbraw/zinc/39/15/77/442391577.db2.gz DIGCBFFMPIJRTC-RQJABVFESA-N 0 0 333.498 1.178 10 0 EDAERN C[C@@H](CNC(=O)NCCc1ccc(Cl)nc1)N1CCOCC1 ZINC000155416682 442396612 /nfs/dbraw/zinc/39/66/12/442396612.db2.gz XADDOTWMYFXDTG-LBPRGKRZSA-N 0 0 326.828 1.297 10 0 EDAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)C1 ZINC000132765726 442399548 /nfs/dbraw/zinc/39/95/48/442399548.db2.gz NGMOHDKXIAISCO-LZWOXQAQSA-N 0 0 339.461 1.757 10 0 EDAERN CC(=O)N[C@@H](CC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000177546010 442355144 /nfs/dbraw/zinc/35/51/44/442355144.db2.gz DKDGHXCNGUMOKT-GJZGRUSLSA-N 0 0 327.388 1.497 10 0 EDAERN O=C(Nc1ccc(-c2ncon2)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177548904 442355775 /nfs/dbraw/zinc/35/57/75/442355775.db2.gz JEVRSKBQJLKPIT-OCCSQVGLSA-N 0 0 344.371 1.342 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)c1cnn(-c2ccccc2)c1 ZINC000177569839 442358124 /nfs/dbraw/zinc/35/81/24/442358124.db2.gz OYEXIMSUWFEOSE-AWEZNQCLSA-N 0 0 336.355 1.298 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C[C@@H](O)COCC(C)C)CC2)n1 ZINC000171624671 442363674 /nfs/dbraw/zinc/36/36/74/442363674.db2.gz RISUUUNQJQFUHT-LSDHHAIUSA-N 0 0 340.468 1.344 10 0 EDAERN CCOc1cccc(CCNC(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000155531749 442405853 /nfs/dbraw/zinc/40/58/53/442405853.db2.gz WUDMTLRFHRNWAN-MRXNPFEDSA-N 0 0 349.475 1.990 10 0 EDAERN O=C(Nc1cccnc1OCC(F)F)N[C@H]1CCc2ncnn2C1 ZINC000133322219 442412640 /nfs/dbraw/zinc/41/26/40/442412640.db2.gz XYHPNZHEBNBYOK-VIFPVBQESA-N 0 0 338.318 1.454 10 0 EDAERN Cc1cnn(-c2ccc(S(=O)(=O)NCC(=O)C(C)C)cc2F)c1 ZINC000133678772 442429320 /nfs/dbraw/zinc/42/93/20/442429320.db2.gz BFSRTQIINNBQMJ-UHFFFAOYSA-N 0 0 339.392 1.823 10 0 EDAERN C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000172242580 442428441 /nfs/dbraw/zinc/42/84/41/442428441.db2.gz ICVPQRFYXVPJJX-KXUCPTDWSA-N 0 0 330.372 1.840 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cccnc1OC1CCCC1)C(C)C ZINC000178432899 442432981 /nfs/dbraw/zinc/43/29/81/442432981.db2.gz ZRCMPMZOKRIJPE-OAHLLOKOSA-N 0 0 348.447 1.973 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)C(C)C ZINC000178432709 442433390 /nfs/dbraw/zinc/43/33/90/442433390.db2.gz MNNVSLODOCAWKH-OAHLLOKOSA-N 0 0 333.436 1.252 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCCNC(=O)C1CC1)CC2 ZINC000133902324 442438918 /nfs/dbraw/zinc/43/89/18/442438918.db2.gz KADNLSXKFVRHOW-ZDUSSCGKSA-N 0 0 333.436 1.139 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c([O-])cc(Cl)cc1Cl ZINC000156191600 442453408 /nfs/dbraw/zinc/45/34/08/442453408.db2.gz PKRRQCCNMOLGRQ-SNVBAGLBSA-N 0 0 349.214 1.122 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000186207159 442486074 /nfs/dbraw/zinc/48/60/74/442486074.db2.gz FJJBGGYPYGSCSN-CQSZACIVSA-N 0 0 343.431 1.926 10 0 EDAERN O=C(C[C@@H](O)c1cccc(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000179840194 442510258 /nfs/dbraw/zinc/51/02/58/442510258.db2.gz YIECDXWRJKHEHE-HZPDHXFCSA-N 0 0 333.363 1.373 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CNC(=O)c3cccs3)CCO2)cn1 ZINC000191726829 442500164 /nfs/dbraw/zinc/50/01/64/442500164.db2.gz IKCJMQADQYHDEO-CYBMUJFWSA-N 0 0 348.428 1.294 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccs2)CC1 ZINC000134611911 442501231 /nfs/dbraw/zinc/50/12/31/442501231.db2.gz KSOWZJFQBRDNDS-GFCCVEGCSA-N 0 0 333.413 1.808 10 0 EDAERN C[C@@H]1CC[C@@H](NC(=O)NCC(=O)N2CCOCC2)c2ccccc21 ZINC000179776587 442501778 /nfs/dbraw/zinc/50/17/78/442501778.db2.gz YUAFUDBZYFKCKZ-CZUORRHYSA-N 0 0 331.416 1.783 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)CC(C)(C)C)CC2 ZINC000172606513 442502140 /nfs/dbraw/zinc/50/21/40/442502140.db2.gz SRXUCYKKFWVAQL-QWHCGFSZSA-N 0 0 337.468 1.813 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cnc4n[nH]c(C)c4c3)CCO2)cn1 ZINC000191745043 442503729 /nfs/dbraw/zinc/50/37/29/442503729.db2.gz FRGDCKXVMDESHW-HNNXBMFYSA-N 0 0 340.387 1.696 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1C)C(C)C ZINC000178860303 442506265 /nfs/dbraw/zinc/50/62/65/442506265.db2.gz WTFYSQPPOSZNGP-CYBMUJFWSA-N 0 0 349.822 1.730 10 0 EDAERN COC(=O)c1coc(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000186302184 442507496 /nfs/dbraw/zinc/50/74/96/442507496.db2.gz RPIZMLAKHMKLER-UHFFFAOYSA-N 0 0 330.344 1.209 10 0 EDAERN CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000156351439 442471001 /nfs/dbraw/zinc/47/10/01/442471001.db2.gz WFTVPPZNQLUMFM-ZDUSSCGKSA-N 0 0 326.418 1.275 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000178868784 442509283 /nfs/dbraw/zinc/50/92/83/442509283.db2.gz MEVMKJLLFKTABP-AWEZNQCLSA-N 0 0 344.415 1.953 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)NC[C@H](C)COC)CC2)n1 ZINC000172489305 442472052 /nfs/dbraw/zinc/47/20/52/442472052.db2.gz XFQWVTKMVSYUDV-STQMWFEESA-N 0 0 339.440 1.303 10 0 EDAERN Cc1ccc(F)cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186176930 442478319 /nfs/dbraw/zinc/47/83/19/442478319.db2.gz FBZFMYHLNYZZHX-UHFFFAOYSA-N 0 0 326.393 1.423 10 0 EDAERN O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760864 442537038 /nfs/dbraw/zinc/53/70/38/442537038.db2.gz ZQWPDKZZEWJRDQ-GFCCVEGCSA-N 0 0 329.322 1.647 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000172826042 442550832 /nfs/dbraw/zinc/55/08/32/442550832.db2.gz AHJDOTOXUXREAH-OAGGEKHMSA-N 0 0 344.411 1.688 10 0 EDAERN CC(C)CNC(=O)CN1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191979171 442553255 /nfs/dbraw/zinc/55/32/55/442553255.db2.gz PIAQWMSDRCXQGN-UHFFFAOYSA-N 0 0 341.496 1.497 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cn(CCC(C)C)nn3)CCO2)cn1 ZINC000191801765 442512950 /nfs/dbraw/zinc/51/29/50/442512950.db2.gz GZSDFUITUMVRSB-MRXNPFEDSA-N 0 0 346.435 1.754 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000186349898 442517064 /nfs/dbraw/zinc/51/70/64/442517064.db2.gz DIPXMDGFFWYRTA-MRXNPFEDSA-N 0 0 347.390 1.809 10 0 EDAERN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)c1cccs1 ZINC000179957028 442522110 /nfs/dbraw/zinc/52/21/10/442522110.db2.gz PKCJDSZCLCWEMF-SNVBAGLBSA-N 0 0 341.458 1.828 10 0 EDAERN CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134820002 442525938 /nfs/dbraw/zinc/52/59/38/442525938.db2.gz DABBVVDVSAKOPL-SMDDNHRTSA-N 0 0 335.379 1.707 10 0 EDAERN Cc1c(NC(=O)NC[C@@H]2CN(C)CCO2)cnn1-c1ccccc1 ZINC000156867636 442527732 /nfs/dbraw/zinc/52/77/32/442527732.db2.gz YZZKTVHQZIOFHO-OAHLLOKOSA-N 0 0 329.404 1.633 10 0 EDAERN COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)c1ccc(OC)cc1)CC2 ZINC000135115164 442558197 /nfs/dbraw/zinc/55/81/97/442558197.db2.gz HYUFJHSMODETOM-JSGCOSHPSA-N 0 0 344.415 1.668 10 0 EDAERN COCCOc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)ccn1 ZINC000180271372 442570792 /nfs/dbraw/zinc/57/07/92/442570792.db2.gz NWKYRVDHWRKABM-AWEZNQCLSA-N 0 0 331.376 1.176 10 0 EDAERN O=S(=O)(CCc1cccs1)N1CCC[C@H](Cn2cncn2)C1 ZINC000192028118 442572860 /nfs/dbraw/zinc/57/28/60/442572860.db2.gz BBXVBSHBROWQKF-CYBMUJFWSA-N 0 0 340.474 1.624 10 0 EDAERN CC(C)(C)OC(=O)[C@@H](NCC(=O)NC1CCOCC1)c1ccccc1 ZINC000180281577 442573352 /nfs/dbraw/zinc/57/33/52/442573352.db2.gz CDYJHSXUYQQMMU-KRWDZBQOSA-N 0 0 348.443 1.954 10 0 EDAERN CN(C)c1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135273805 442574304 /nfs/dbraw/zinc/57/43/04/442574304.db2.gz LCLRFIYZRKNHKN-AWEZNQCLSA-N 0 0 326.404 1.336 10 0 EDAERN O=C(c1ncccc1C(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000180315854 442580144 /nfs/dbraw/zinc/58/01/44/442580144.db2.gz RIYXDRLYROCYLS-LLVKDONJSA-N 0 0 329.322 1.647 10 0 EDAERN C[N@H+](CC(=O)[O-])C1CCN(CCC(=O)NCC2CCCCC2)CC1 ZINC000186679810 442590346 /nfs/dbraw/zinc/59/03/46/442590346.db2.gz SKWZUKPHFVTFRW-UHFFFAOYSA-N 0 0 339.480 1.554 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@](C)(OC)c1ccccc1F)CC2 ZINC000192119766 442596772 /nfs/dbraw/zinc/59/67/72/442596772.db2.gz PVGJDCQGXSVEIU-KZULUSFZSA-N 0 0 346.406 1.972 10 0 EDAERN C[C@H]1CN(CCN(C)Cc2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000192121291 442597228 /nfs/dbraw/zinc/59/72/28/442597228.db2.gz NLVXMQIHNFBEON-AWEZNQCLSA-N 0 0 328.453 1.624 10 0 EDAERN Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c(=O)n(C)c1=O ZINC000173087617 442601030 /nfs/dbraw/zinc/60/10/30/442601030.db2.gz XIYUNDCGKCHAKO-UWVGGRQHSA-N 0 0 335.310 1.104 10 0 EDAERN O=C(N[C@H]1CCCC[C@H]1CO)C1=NN(c2ccccc2)C(=O)CC1 ZINC000179231648 442601432 /nfs/dbraw/zinc/60/14/32/442601432.db2.gz CYZQQNFYYKCYBV-ZFWWWQNUSA-N 0 0 329.400 1.837 10 0 EDAERN Cn1nc(Br)cc1C(=O)N[C@H]1CCCn2ncnc21 ZINC000192149045 442603676 /nfs/dbraw/zinc/60/36/76/442603676.db2.gz ZITREXYOFBNOLU-ZETCQYMHSA-N 0 0 325.170 1.039 10 0 EDAERN C/C(=C\C(=O)N1CCOC[C@H]1C(N)=O)c1ccccc1OC(F)F ZINC000180215026 442559388 /nfs/dbraw/zinc/55/93/88/442559388.db2.gz LWGJOLOJTGRRAC-OANVXVOSSA-N 0 0 340.326 1.404 10 0 EDAERN CNC(=O)[C@@H]1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000180239364 442563759 /nfs/dbraw/zinc/56/37/59/442563759.db2.gz IYYGARPWJYWKEJ-ZFWWWQNUSA-N 0 0 337.807 1.280 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180258055 442567905 /nfs/dbraw/zinc/56/79/05/442567905.db2.gz KHRAPIFJYWJHIQ-DOTOQJQBSA-N 0 0 345.443 1.421 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135802785 442635247 /nfs/dbraw/zinc/63/52/47/442635247.db2.gz FFSCNJVJEKEOQZ-HNNXBMFYSA-N 0 0 330.388 1.491 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1cccc(-n2ccnc2)c1 ZINC000173265021 442635857 /nfs/dbraw/zinc/63/58/57/442635857.db2.gz VFLSEDLJHRPHTI-IUODEOHRSA-N 0 0 327.388 1.463 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173190166 442620928 /nfs/dbraw/zinc/62/09/28/442620928.db2.gz YIIFBYPFDFQVCG-ZDUSSCGKSA-N 0 0 335.379 1.006 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)Nc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000173234096 442628643 /nfs/dbraw/zinc/62/86/43/442628643.db2.gz RVDOKSLOFWYAKA-NWDGAFQWSA-N 0 0 338.477 1.941 10 0 EDAERN Cc1sc(=O)n(CC(=O)N2CC[C@H](Oc3cccnc3)C2)c1C ZINC000135780500 442632781 /nfs/dbraw/zinc/63/27/81/442632781.db2.gz MFGPYPMJSLJDCT-AWEZNQCLSA-N 0 0 333.413 1.602 10 0 EDAERN Cc1nnc([C@H]2CN(CCC(=O)OCc3ccccc3)CCO2)[nH]1 ZINC000181466035 442698842 /nfs/dbraw/zinc/69/88/42/442698842.db2.gz XQROLZRYVYUAEG-OAHLLOKOSA-N 0 0 330.388 1.620 10 0 EDAERN CO[C@H](C)CCC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000181478829 442699541 /nfs/dbraw/zinc/69/95/41/442699541.db2.gz XBZUYAMVZCPMHI-IAGOWNOFSA-N 0 0 341.496 1.055 10 0 EDAERN CC(C)n1nnnc1CNc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000187362301 442671739 /nfs/dbraw/zinc/67/17/39/442671739.db2.gz IGRURRZYFWFGFC-UHFFFAOYSA-N 0 0 348.382 1.478 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000188059373 442706724 /nfs/dbraw/zinc/70/67/24/442706724.db2.gz NBVLKZNMUGHLSS-UXLLHSPISA-N 0 0 346.427 1.598 10 0 EDAERN CCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)c2cccs2)CC1 ZINC000193188032 442721401 /nfs/dbraw/zinc/72/14/01/442721401.db2.gz JONBTYMQGHGCQR-LLVKDONJSA-N 0 0 345.490 1.922 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000193207170 442722447 /nfs/dbraw/zinc/72/24/47/442722447.db2.gz NQTVLHRYNYAOIL-HUUCEWRRSA-N 0 0 326.356 1.064 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000181989856 442725951 /nfs/dbraw/zinc/72/59/51/442725951.db2.gz JPTHBXNXPDHMDI-CQSZACIVSA-N 0 0 340.855 1.376 10 0 EDAERN CN1CCc2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(N)=O)cc21 ZINC000181998522 442726849 /nfs/dbraw/zinc/72/68/49/442726849.db2.gz RDORXNBEWPKYGT-MRXNPFEDSA-N 0 0 338.411 1.897 10 0 EDAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(F)cn2)CC1 ZINC000193321251 442732839 /nfs/dbraw/zinc/73/28/39/442732839.db2.gz VNPNOJSZJUKUHL-UHFFFAOYSA-N 0 0 331.351 1.299 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000188291574 442734102 /nfs/dbraw/zinc/73/41/02/442734102.db2.gz DHMRGWJKVVYNPI-NXEZZACHSA-N 0 0 337.342 1.264 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000193393263 442739000 /nfs/dbraw/zinc/73/90/00/442739000.db2.gz JQPSLADFFHNBEN-KXBFYZLASA-N 0 0 331.412 1.807 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cccc3n[nH]nc31)CC2 ZINC000188368581 442743455 /nfs/dbraw/zinc/74/34/55/442743455.db2.gz WNRZEWHPLTXWIQ-JTQLQIEISA-N 0 0 325.376 1.418 10 0 EDAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)c2cccs2)n1 ZINC000188365983 442743665 /nfs/dbraw/zinc/74/36/65/442743665.db2.gz UXGKQLTWOWOBGO-MNOVXSKESA-N 0 0 336.417 1.968 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1sc(C)nc1CC(C)C ZINC000193543422 442752138 /nfs/dbraw/zinc/75/21/38/442752138.db2.gz RQWKMEGLYKMLCS-DGCLKSJQSA-N 0 0 325.434 1.570 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(OC2COC2)cc1 ZINC000188109512 442712688 /nfs/dbraw/zinc/71/26/88/442712688.db2.gz BTHIERYITPWALT-KRWDZBQOSA-N 0 0 334.416 1.904 10 0 EDAERN CCOC(=O)[C@H](NC(=O)C(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000193867034 442801775 /nfs/dbraw/zinc/80/17/75/442801775.db2.gz ATOQJOQVGIAHCM-CYBMUJFWSA-N 0 0 349.774 1.677 10 0 EDAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188525002 442759904 /nfs/dbraw/zinc/75/99/04/442759904.db2.gz AWLNHPFXLMYOTG-UHFFFAOYSA-N 0 0 339.399 1.316 10 0 EDAERN COC(=O)c1ccc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)o1 ZINC000182484493 442775579 /nfs/dbraw/zinc/77/55/79/442775579.db2.gz XPRIBGCGZFMNOY-ZDUSSCGKSA-N 0 0 346.387 1.393 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000188642438 442778077 /nfs/dbraw/zinc/77/80/77/442778077.db2.gz HBRYMEHTFLIIRL-IAGOWNOFSA-N 0 0 348.418 1.735 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000193763639 442782308 /nfs/dbraw/zinc/78/23/08/442782308.db2.gz WTQHMOLDUBCZSS-UHFFFAOYSA-N 0 0 345.321 1.786 10 0 EDAERN O=S(=O)(N1C[C@H](CO)[C@H](c2ccsc2)C1)N1CCCCCC1 ZINC000188878501 442833417 /nfs/dbraw/zinc/83/34/17/442833417.db2.gz ZTPRGUDDGOXIPT-CABCVRRESA-N 0 0 344.502 1.877 10 0 EDAERN COc1ccc([C@H](C)NC(=O)c2cnc3c(c2)nnn3C)cc1OC ZINC000182725569 442815129 /nfs/dbraw/zinc/81/51/29/442815129.db2.gz PYXOMMMBFUNPBM-JTQLQIEISA-N 0 0 341.371 1.872 10 0 EDAERN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H](C)NC(N)=O ZINC000188880607 442834392 /nfs/dbraw/zinc/83/43/92/442834392.db2.gz MGSYODXEPJRSRJ-HTQZYQBOSA-N 0 0 344.209 1.692 10 0 EDAERN Cc1cccc(C)c1OCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188810745 442819404 /nfs/dbraw/zinc/81/94/04/442819404.db2.gz GJQOWTQDRGPDHK-UHFFFAOYSA-N 0 0 345.443 1.992 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@H]1O)Nc1ccccc1CN1CCNC1=O ZINC000182754778 442819520 /nfs/dbraw/zinc/81/95/20/442819520.db2.gz REPKQORQVSKKDA-XJKSGUPXSA-N 0 0 346.431 1.884 10 0 EDAERN Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)[nH]n1 ZINC000246911300 442821807 /nfs/dbraw/zinc/82/18/07/442821807.db2.gz NTONSHLTFFEOGG-GXTWGEPZSA-N 0 0 334.445 1.971 10 0 EDAERN COC(=O)C1CCC(C(=O)Nc2cc(-c3nccn3C)[nH]n2)CC1 ZINC000182814045 442829135 /nfs/dbraw/zinc/82/91/35/442829135.db2.gz WABWPXDBTFYWAZ-UHFFFAOYSA-N 0 0 331.376 1.728 10 0 EDAERN CCCCc1noc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182853303 442836090 /nfs/dbraw/zinc/83/60/90/442836090.db2.gz BBFMPSJWBZBEGH-LLVKDONJSA-N 0 0 338.433 1.910 10 0 EDAERN CN(CC(C)(CO)CO)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000182916225 442847439 /nfs/dbraw/zinc/84/74/39/442847439.db2.gz AZWQUURQCOVKAP-DOTOQJQBSA-N 0 0 348.443 1.045 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000188953523 442848361 /nfs/dbraw/zinc/84/83/61/442848361.db2.gz LSDIHFLYEKMWDD-SECBINFHSA-N 0 0 347.362 1.930 10 0 EDAERN O=C(C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000194268582 442868681 /nfs/dbraw/zinc/86/86/81/442868681.db2.gz NBIFOFXZDLENRN-SFHVURJKSA-N 0 0 338.407 1.747 10 0 EDAERN CCOCCN1CCN([C@@H](C(=O)N(C)C)c2ccccc2)C[C@@H]1C ZINC000247817244 442869747 /nfs/dbraw/zinc/86/97/47/442869747.db2.gz WLJAZPRKVMQADO-FUHWJXTLSA-N 0 0 333.476 1.859 10 0 EDAERN COc1cccc(Cl)c1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000189142243 442885737 /nfs/dbraw/zinc/88/57/37/442885737.db2.gz IMMZJAMJQZSZBH-SNVBAGLBSA-N 0 0 335.795 1.754 10 0 EDAERN COc1cc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)ncn1 ZINC000189228066 442901149 /nfs/dbraw/zinc/90/11/49/442901149.db2.gz XUZBFTWIZSCNKV-RYUDHWBXSA-N 0 0 334.401 1.787 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000189229882 442901717 /nfs/dbraw/zinc/90/17/17/442901717.db2.gz UYRFCPMPUBJZJG-ZBFHGGJFSA-N 0 0 347.484 1.514 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)Cc1cccnc1)CC2 ZINC000181734147 318488506 /nfs/dbraw/zinc/48/85/06/318488506.db2.gz YZZNOVZGVSDKEZ-CQSZACIVSA-N 0 0 328.420 1.953 10 0 EDAERN COc1cc(Br)ccc1CNC(=O)[C@@H](C)NC(N)=O ZINC000189247038 442904114 /nfs/dbraw/zinc/90/41/14/442904114.db2.gz FGOKBNAKDPPKNY-SSDOTTSWSA-N 0 0 330.182 1.131 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000248652396 442912157 /nfs/dbraw/zinc/91/21/57/442912157.db2.gz NZOKWXHYYJPKTC-MGPQQGTHSA-N 0 0 326.437 1.911 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NCc2cccs2)C1 ZINC000189312828 442919207 /nfs/dbraw/zinc/91/92/07/442919207.db2.gz ZXPSETNPKJNGGT-WCQYABFASA-N 0 0 336.417 1.518 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000189318267 442920183 /nfs/dbraw/zinc/92/01/83/442920183.db2.gz VNVUUCKCUXYVMZ-MRVPVSSYSA-N 0 0 340.305 1.864 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)Cc2ccn(C)n2)N2CCOCC2)s1 ZINC000183722238 318528120 /nfs/dbraw/zinc/52/81/20/318528120.db2.gz XRCDCLXPTOGLAI-OAHLLOKOSA-N 0 0 348.472 1.522 10 0 EDAERN Cn1cnc(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)cc2)n1 ZINC000183505744 442935899 /nfs/dbraw/zinc/93/58/99/442935899.db2.gz GANLLTUREWGIOZ-INIZCTEOSA-N 0 0 325.416 1.792 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194704208 442940799 /nfs/dbraw/zinc/94/07/99/442940799.db2.gz UDVYXVBHEQJHLW-ZDUSSCGKSA-N 0 0 339.189 1.100 10 0 EDAERN Cc1c([C@H](C)NC(=O)[C@@H]2CNC(=O)C2)cnn1-c1ccc(F)cc1 ZINC000194795798 442954387 /nfs/dbraw/zinc/95/43/87/442954387.db2.gz VYPKNWWCOIFSPD-JQWIXIFHSA-N 0 0 330.363 1.633 10 0 EDAERN CCOc1cc(CNC(=O)[C@H]2CNC(=O)C2)ccc1OC(F)F ZINC000194811106 442957547 /nfs/dbraw/zinc/95/75/47/442957547.db2.gz SSHOWEAUEOQQGN-SNVBAGLBSA-N 0 0 328.315 1.439 10 0 EDAERN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)[C@H]1CNC(=O)C1 ZINC000194883711 442964654 /nfs/dbraw/zinc/96/46/54/442964654.db2.gz BCVJPMCKFSHTPA-OAHLLOKOSA-N 0 0 340.427 1.614 10 0 EDAERN CC(C)c1nnc(CN2C(=O)N[C@](C)(c3cccs3)C2=O)n1C ZINC000194686384 318592174 /nfs/dbraw/zinc/59/21/74/318592174.db2.gz SLWGFMJUCBSZOH-OAHLLOKOSA-N 0 0 333.417 1.967 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)O1 ZINC000183995730 442981493 /nfs/dbraw/zinc/98/14/93/442981493.db2.gz XRRQAVNOSZOJNV-SWLSCSKDSA-N 0 0 338.429 1.410 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3nncn3c1)CC2 ZINC000195405130 443015947 /nfs/dbraw/zinc/01/59/47/443015947.db2.gz FGGOKOKTWSDVJN-LBPRGKRZSA-N 0 0 325.376 1.189 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCC[C@H]2CCCCO2)CC1 ZINC000184381481 443016476 /nfs/dbraw/zinc/01/64/76/443016476.db2.gz DEUJPNGXZZDMJV-HZPDHXFCSA-N 0 0 327.469 1.434 10 0 EDAERN COc1ncccc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190138243 443063009 /nfs/dbraw/zinc/06/30/09/443063009.db2.gz OSYDNIHDDJLMOE-ZDUSSCGKSA-N 0 0 329.360 1.506 10 0 EDAERN O=C(NCc1csc(N2CCOCC2)n1)c1noc2c1CCCC2 ZINC000222714128 443081547 /nfs/dbraw/zinc/08/15/47/443081547.db2.gz AIRRVAPMFPIWMO-UHFFFAOYSA-N 0 0 348.428 1.777 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccccc2COC)CC1 ZINC000184825523 443081848 /nfs/dbraw/zinc/08/18/48/443081848.db2.gz JXJIRNUEAUJEEH-QGZVFWFLSA-N 0 0 335.448 1.431 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCCc2ccc(OC)cc2)CC1 ZINC000184931887 443100724 /nfs/dbraw/zinc/10/07/24/443100724.db2.gz PUWWAZILWPRGDH-QGZVFWFLSA-N 0 0 349.475 1.726 10 0 EDAERN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000190410143 443102085 /nfs/dbraw/zinc/10/20/85/443102085.db2.gz XAAKTDHYBNXGJG-STQMWFEESA-N 0 0 330.392 1.968 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ncc(C)s3)CCO2)cn1 ZINC000190533791 443129889 /nfs/dbraw/zinc/12/98/89/443129889.db2.gz INSGNOHBCNPVKQ-GFCCVEGCSA-N 0 0 349.416 1.207 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CCO2)cn1 ZINC000190786626 443183596 /nfs/dbraw/zinc/18/35/96/443183596.db2.gz PYOHJQPUTCNVLC-HLLBOEOZSA-N 0 0 334.464 1.781 10 0 EDAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N[C@H](c1ccccc1)C1CCCCC1 ZINC000185165792 443151592 /nfs/dbraw/zinc/15/15/92/443151592.db2.gz ANLANYHGWDTTGO-QWFCFKBJSA-N 0 0 346.471 1.852 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1cc(Br)cc2cccnc21 ZINC000185186004 443156375 /nfs/dbraw/zinc/15/63/75/443156375.db2.gz XFNAAHHGDMQBKE-ZIAGYGMSSA-N 0 0 337.217 1.925 10 0 EDAERN Cc1cc2cc(NC(=O)C(=O)N3CCCNC(=O)[C@@H]3C)ccc2[nH]1 ZINC000190667816 443159948 /nfs/dbraw/zinc/15/99/48/443159948.db2.gz BQFURGRBNKMZRJ-NSHDSACASA-N 0 0 328.372 1.152 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1Cc1nnnn1CC(F)(F)F ZINC000190926445 443210672 /nfs/dbraw/zinc/21/06/72/443210672.db2.gz XUKXGXQSHBPUEX-LLVKDONJSA-N 0 0 329.330 1.405 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccccc1OC(F)F ZINC000190977904 443217947 /nfs/dbraw/zinc/21/79/47/443217947.db2.gz CMEPQTSQVOTBHG-SECBINFHSA-N 0 0 334.344 1.187 10 0 EDAERN CC(C)(C(=O)N1CC[C@H](COCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000384009843 319125939 /nfs/dbraw/zinc/12/59/39/319125939.db2.gz KTCDXAMNSBFCEN-SFHVURJKSA-N 0 0 345.487 1.736 10 0 EDAERN CCN(CCCNC(=O)N1CCCNC(=O)[C@@H]1C)c1ccccc1 ZINC000191165427 443251102 /nfs/dbraw/zinc/25/11/02/443251102.db2.gz OWHDOTKNRAIUJI-HNNXBMFYSA-N 0 0 332.448 1.823 10 0 EDAERN Cn1nc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1OC(F)F ZINC000185879932 443274440 /nfs/dbraw/zinc/27/44/40/443274440.db2.gz OIFPUIKXAZTHJY-BONVTDFDSA-N 0 0 329.347 1.789 10 0 EDAERN COC1(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)CCCCC1 ZINC000185923916 443284464 /nfs/dbraw/zinc/28/44/64/443284464.db2.gz KVNJSDMGOPFWLZ-OAHLLOKOSA-N 0 0 336.436 1.643 10 0 EDAERN Cc1nnc(CN(C)[C@H]2CN(C(=O)c3cc(F)ccc3C)C[C@H]2O)o1 ZINC000328631518 444403285 /nfs/dbraw/zinc/40/32/85/444403285.db2.gz KNNKLEQSPXADJR-LSDHHAIUSA-N 0 0 348.378 1.143 10 0 EDAERN CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCc2noc(C)n2)n1C ZINC000328639290 444407549 /nfs/dbraw/zinc/40/75/49/444407549.db2.gz WWKDRESZSOMAKI-CQSZACIVSA-N 0 0 345.403 1.720 10 0 EDAERN Cc1nnc([C@@H]2COCCN2C(=O)c2ccc(OCC3CC3)nc2)o1 ZINC000328609758 444392515 /nfs/dbraw/zinc/39/25/15/444392515.db2.gz FSZSZNCHHZVGTQ-AWEZNQCLSA-N 0 0 344.371 1.776 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)C[C@H]1CO ZINC000328614961 444395002 /nfs/dbraw/zinc/39/50/02/444395002.db2.gz XICADYJMZVOCDU-KOLCDFICSA-N 0 0 331.821 1.524 10 0 EDAERN COc1nccc(CN2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000623173486 450434094 /nfs/dbraw/zinc/43/40/94/450434094.db2.gz JJWBOTKSQFJMPS-ZWNOBZJWSA-N 0 0 331.376 1.708 10 0 EDAERN CSc1cc(I)c(C)c(S(N)(=O)=O)c1 ZINC000575707979 447882803 /nfs/dbraw/zinc/88/28/03/447882803.db2.gz CQYRUSVDMWJGNX-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN CCOC(=O)Cc1cc(OC)cc(N)c1I ZINC000575725049 447883362 /nfs/dbraw/zinc/88/33/62/447883362.db2.gz QGNBHWQGXNXEJJ-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN Cn1c(CN2CCC[C@](O)(c3cn[nH]n3)C2)nc2cc(Cl)ccc21 ZINC000583617408 448443681 /nfs/dbraw/zinc/44/36/81/448443681.db2.gz HTDAMUGIANHPPC-MRXNPFEDSA-N 0 0 346.822 1.828 10 0 EDAERN COc1cc(Cl)ccc1C(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617779 448445787 /nfs/dbraw/zinc/44/57/87/448445787.db2.gz QZWKPFAFZPVTPD-OAHLLOKOSA-N 0 0 336.779 1.591 10 0 EDAERN CCN1CCN(C(=O)N[C@H](C)[C@H]2CCCO2)C[C@@H]1c1nccn1C ZINC000583621974 448452639 /nfs/dbraw/zinc/45/26/39/448452639.db2.gz VCOIEHHBWSTAAV-RBSFLKMASA-N 0 0 335.452 1.376 10 0 EDAERN Cc1cccc(Cc2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)c1 ZINC000584596838 448583123 /nfs/dbraw/zinc/58/31/23/448583123.db2.gz NDBSRCOVEAKOPX-UHFFFAOYSA-N 0 0 329.385 1.413 10 0 EDAERN Cc1noc(C)c1CSCC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000597838377 449116440 /nfs/dbraw/zinc/11/64/40/449116440.db2.gz HWIQZQKVSNVECV-IPYPFGDCSA-N 0 0 336.417 1.212 10 0 EDAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000614638277 449732577 /nfs/dbraw/zinc/73/25/77/449732577.db2.gz YFTMYGYJEWQQDR-AYRXBEOTSA-N 0 0 334.420 1.267 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)NCCc2ccc[nH]2)[C@H]1c1cnn(C)c1C ZINC000613129484 450037683 /nfs/dbraw/zinc/03/76/83/450037683.db2.gz RGCJLXSHTBJMDS-YOEHRIQHSA-N 0 0 343.431 1.325 10 0 EDAERN COc1cc(Br)ccc1C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000619006788 450375294 /nfs/dbraw/zinc/37/52/94/450375294.db2.gz IEYCMJYBOIFXQN-VIFPVBQESA-N 0 0 341.205 1.666 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN[C@H](c2ccc(CO)cc2)C1 ZINC000616600800 450454355 /nfs/dbraw/zinc/45/43/55/450454355.db2.gz BNQKPYZBDYMDGW-KRWDZBQOSA-N 0 0 332.425 1.514 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](n2ccc(N)n2)CC1 ZINC000616594633 450454454 /nfs/dbraw/zinc/45/44/54/450454454.db2.gz HCHQYVAVRADFCC-CYBMUJFWSA-N 0 0 325.413 1.211 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@@H]1c1cccc2nnccc21 ZINC000616681277 450460106 /nfs/dbraw/zinc/46/01/06/450460106.db2.gz YEAFUKYADPHRJM-QGZVFWFLSA-N 0 0 340.408 1.781 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@@H]1c1ccc(CCO)cc1 ZINC000616692542 450461338 /nfs/dbraw/zinc/46/13/38/450461338.db2.gz WDHYAYSPSIAEFP-MRXNPFEDSA-N 0 0 333.413 1.398 10 0 EDAERN CCn1cc(O[C@@H]2CN(c3cc(OC(C)C)ncn3)C[C@H]2O)cn1 ZINC000624421575 450844854 /nfs/dbraw/zinc/84/48/54/450844854.db2.gz ZHLSKAJQXNVVGY-ZIAGYGMSSA-N 0 0 333.392 1.109 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccsc1Br ZINC000633918676 451094096 /nfs/dbraw/zinc/09/40/96/451094096.db2.gz RAPPDTKFCKCXAC-SECBINFHSA-N 0 0 333.251 1.913 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1csc(Br)c1 ZINC000633929704 451114803 /nfs/dbraw/zinc/11/48/03/451114803.db2.gz ZLFCRJQLRZODOK-SNVBAGLBSA-N 0 0 333.251 1.913 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000658275027 452825498 /nfs/dbraw/zinc/82/54/98/452825498.db2.gz FRDCSAWFQOGSBV-ARFHVFGLSA-N 0 0 338.415 1.995 10 0 EDAERN COc1ccccc1C1(CNC(=O)CN2CCCC[C@@H](O)C2=O)CC1 ZINC000644340875 453323202 /nfs/dbraw/zinc/32/32/02/453323202.db2.gz YWFUZIKWURLBCP-OAHLLOKOSA-N 0 0 346.427 1.216 10 0 EDAERN O=C(CNC(=O)c1ccc(Br)cc1)NCC1CC(O)C1 ZINC000091524113 485916006 /nfs/dbraw/zinc/91/60/06/485916006.db2.gz RDOUPAUMZIPSIN-UHFFFAOYSA-N 0 0 341.205 1.066 10 0 EDAERN O=C(NCc1ccco1)[C@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312219 490997338 /nfs/dbraw/zinc/99/73/38/490997338.db2.gz ZSHMMTRBGIQPPY-ZDUSSCGKSA-N 0 0 325.372 1.855 10 0 EDAERN Cc1ncc(-c2ccc(NC(=O)C(=O)N3CCC[C@@H]3CO)cc2)o1 ZINC000189932408 491018561 /nfs/dbraw/zinc/01/85/61/491018561.db2.gz CPSHABDNSYQAHX-CQSZACIVSA-N 0 0 329.356 1.572 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)cn1 ZINC000191748485 500758527 /nfs/dbraw/zinc/75/85/27/500758527.db2.gz IHEDMKUMJXELNU-WBVHZDCISA-N 0 0 327.384 1.979 10 0 EDAERN COC(=O)Cc1c(C(=O)OC)nnn1Cc1ccc(Cl)s1 ZINC000159220544 533751113 /nfs/dbraw/zinc/75/11/13/533751113.db2.gz NGDNYISFIIAVRL-UHFFFAOYSA-N 0 0 329.765 1.543 10 0 EDAERN C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000165102502 533807413 /nfs/dbraw/zinc/80/74/13/533807413.db2.gz IJYNTNMAQLLCIS-VHSXEESVSA-N 0 0 332.447 1.091 10 0 EDAERN C[C@@H](O)c1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000174512767 533866772 /nfs/dbraw/zinc/86/67/72/533866772.db2.gz NUQBHELECNILQC-CZUORRHYSA-N 0 0 329.404 1.878 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3ccco3)C2=O)n(C)n1 ZINC000174034767 533896055 /nfs/dbraw/zinc/89/60/55/533896055.db2.gz POLJURYGISZFRM-ZDUSSCGKSA-N 0 0 331.376 1.316 10 0 EDAERN C[C@@H](CNC(=O)NCc1cc(-c2ccccc2)on1)N1CCOCC1 ZINC000171331302 533969032 /nfs/dbraw/zinc/96/90/32/533969032.db2.gz JURKMACZAGGXGA-AWEZNQCLSA-N 0 0 344.415 1.862 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)C[C@@H]1CCOC1)C(C)C ZINC000177274533 533973596 /nfs/dbraw/zinc/97/35/96/533973596.db2.gz QEYNDBDMBYBUIT-WMLDXEAASA-N 0 0 348.443 1.945 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)c1 ZINC000173688253 534033223 /nfs/dbraw/zinc/03/32/23/534033223.db2.gz IPMIUPBJZRUADK-CYBMUJFWSA-N 0 0 343.387 1.397 10 0 EDAERN COc1ccc(NC(=O)Cn2c(C)nc3[nH]c(C)cc3c2=O)cc1 ZINC000169814943 534094125 /nfs/dbraw/zinc/09/41/25/534094125.db2.gz NJKKNIJASHRTIK-UHFFFAOYSA-N 0 0 326.356 1.989 10 0 EDAERN COC(=O)NCCCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174998549 534094154 /nfs/dbraw/zinc/09/41/54/534094154.db2.gz FARQYIKDBFBADK-UHFFFAOYSA-N 0 0 336.392 1.969 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCOCC(F)F)CCO2)n1 ZINC000190266606 534112601 /nfs/dbraw/zinc/11/26/01/534112601.db2.gz OHXRJOBCRPIXJE-ZDUSSCGKSA-N 0 0 346.378 1.192 10 0 EDAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1N ZINC000149151455 534127154 /nfs/dbraw/zinc/12/71/54/534127154.db2.gz CBTUYPLHLUFAEU-GMSGAONNSA-N 0 0 335.223 1.487 10 0 EDAERN COC(=O)[C@@H](NC[C@H]1CCCO1)c1cncc(Br)c1 ZINC000166195709 534279523 /nfs/dbraw/zinc/27/95/23/534279523.db2.gz CYRAZVVYTIBIOY-NEPJUHHUSA-N 0 0 329.194 1.827 10 0 EDAERN O=C(Nc1cccc(-n2ccnn2)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000130070418 534322445 /nfs/dbraw/zinc/32/24/45/534322445.db2.gz AYRGVVHYZMUFPV-OAHLLOKOSA-N 0 0 338.375 1.728 10 0 EDAERN Cc1ccc2[nH]c(C(=O)NC[C@H](O)CN3CCOCC3)cc2c1C ZINC000132789084 534350596 /nfs/dbraw/zinc/35/05/96/534350596.db2.gz KSGDZBIMUMJUJC-AWEZNQCLSA-N 0 0 331.416 1.208 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@@H]1N1CCOCC1 ZINC000173961135 534371315 /nfs/dbraw/zinc/37/13/15/534371315.db2.gz BMILGBYXBRYGPH-BPQIPLTHSA-N 0 0 331.460 1.468 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@H]1N1CCOCC1 ZINC000173822441 534398204 /nfs/dbraw/zinc/39/82/04/534398204.db2.gz VBCFIWFRWGCQND-TZMCWYRMSA-N 0 0 331.372 1.727 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1N1CCOCC1 ZINC000173827239 534414096 /nfs/dbraw/zinc/41/40/96/534414096.db2.gz GOBSRBDZFQUZRJ-DGCLKSJQSA-N 0 0 343.349 1.893 10 0 EDAERN NC(=O)[C@@H]1CCCCN1C(=O)c1cc(N)cc(Br)c1 ZINC000165479668 534423872 /nfs/dbraw/zinc/42/38/72/534423872.db2.gz NVNFXJWHLPKQOO-NSHDSACASA-N 0 0 326.194 1.511 10 0 EDAERN O=C(CCNC(=O)c1ccco1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187682084 534428697 /nfs/dbraw/zinc/42/86/97/534428697.db2.gz PGVDLBFVXSOWKY-KBPBESRZSA-N 0 0 348.424 1.696 10 0 EDAERN O=C(NCCc1nc2ccccc2[nH]1)N[C@H]1CCc2ncnn2C1 ZINC000171867983 534505684 /nfs/dbraw/zinc/50/56/84/534505684.db2.gz WVDHFEOWQZUKGG-NSHDSACASA-N 0 0 325.376 1.011 10 0 EDAERN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333530523 534566318 /nfs/dbraw/zinc/56/63/18/534566318.db2.gz PYFDJULUTZJGJR-NWCAJXEZSA-N 0 0 330.432 1.352 10 0 EDAERN Cn1c(CN2CCOC[C@H]2C[C@H](O)c2ccco2)nnc1C1CC1 ZINC000159282982 534688808 /nfs/dbraw/zinc/68/88/08/534688808.db2.gz GBIJXUQAMTXKDN-KGLIPLIRSA-N 0 0 332.404 1.610 10 0 EDAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(F)F)c1Cl ZINC000136647898 534701748 /nfs/dbraw/zinc/70/17/48/534701748.db2.gz ISTRZBXMLBHCDQ-UHFFFAOYSA-N 0 0 333.143 1.636 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)Nc3nnc(C)s3)CC2)s1 ZINC000171808352 534736344 /nfs/dbraw/zinc/73/63/44/534736344.db2.gz KKLNGTRLHVGLHG-UHFFFAOYSA-N 0 0 338.462 1.961 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000183594605 534743400 /nfs/dbraw/zinc/74/34/00/534743400.db2.gz GKKUHOMWXQKVRH-KRWDZBQOSA-N 0 0 328.416 1.845 10 0 EDAERN O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157721424 534762287 /nfs/dbraw/zinc/76/22/87/534762287.db2.gz QNQFANVHQVUCCJ-OAHLLOKOSA-N 0 0 340.358 1.829 10 0 EDAERN Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172600536 534848193 /nfs/dbraw/zinc/84/81/93/534848193.db2.gz FMBOVYYMJWAMAM-WCQYABFASA-N 0 0 345.451 1.819 10 0 EDAERN O=S(=O)(c1cccc(Cl)c1Cl)N1CCOC[C@@H]1CO ZINC000168642813 534874284 /nfs/dbraw/zinc/87/42/84/534874284.db2.gz ZMXDHKFCZDAJTB-QMMMGPOBSA-N 0 0 326.201 1.375 10 0 EDAERN Cc1nnsc1[C@H](NN)c1c(Br)cnn1C(C)C ZINC000161477867 534874774 /nfs/dbraw/zinc/87/47/74/534874774.db2.gz JHVBILBOAZMHRI-MRVPVSSYSA-N 0 0 331.243 1.939 10 0 EDAERN CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000154073903 526443485 /nfs/dbraw/zinc/44/34/85/526443485.db2.gz VROYEJZZKIUKHE-LLVKDONJSA-N 0 0 337.424 1.780 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173814108 526801454 /nfs/dbraw/zinc/80/14/54/526801454.db2.gz UQKTVXSFCVLLSV-KBXCAEBGSA-N 0 0 345.443 1.115 10 0 EDAERN CN1CCc2ccc(S(=O)(=O)N3CCC[C@H](n4cccn4)C3)cc21 ZINC000333350376 536483037 /nfs/dbraw/zinc/48/30/37/536483037.db2.gz VSZJIAVPTCJCBV-HNNXBMFYSA-N 0 0 346.456 1.901 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)Cc2nnc(C(C)C)n2C)cc1 ZINC000183509791 527022523 /nfs/dbraw/zinc/02/25/23/527022523.db2.gz QVCVWZHLCJYBEZ-UHFFFAOYSA-N 0 0 336.417 1.871 10 0 EDAERN CC(=O)c1ccc(OC[C@H](O)CN2CC(NC(=O)C3CCC3)C2)cc1 ZINC000185936562 527328646 /nfs/dbraw/zinc/32/86/46/527328646.db2.gz FOUBYXVFUWYZQW-QGZVFWFLSA-N 0 0 346.427 1.229 10 0 EDAERN CC(C)C(=O)N1CCC(NC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000153321277 527465453 /nfs/dbraw/zinc/46/54/53/527465453.db2.gz GIHLSFIMINYTRL-UKRRQHHQSA-N 0 0 325.453 1.484 10 0 EDAERN CC(C)[C@H](O)CC(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000154496350 527719218 /nfs/dbraw/zinc/71/92/18/527719218.db2.gz RSRIKSQCTKFGID-ZIAGYGMSSA-N 0 0 326.462 1.645 10 0 EDAERN CC(C)[NH2+]C[C@@H]1CCCN(c2nc[n-]c(=O)c2Br)C1 ZINC000164288006 527735039 /nfs/dbraw/zinc/73/50/39/527735039.db2.gz IZNDNNXIVBLOMX-JTQLQIEISA-N 0 0 329.242 1.747 10 0 EDAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000188026515 527771421 /nfs/dbraw/zinc/77/14/21/527771421.db2.gz DWEOMUASQQVTMZ-ZDUSSCGKSA-N 0 0 335.452 1.659 10 0 EDAERN CCO[C@@H]1C[C@](CO)(NC(=O)N[C@@H]2COc3ccccc32)C1(C)C ZINC000188093893 527970401 /nfs/dbraw/zinc/97/04/01/527970401.db2.gz QSRVCQLGEDLVCB-DDUZABMNSA-N 0 0 334.416 1.985 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C12CCCC2 ZINC000172637430 528068895 /nfs/dbraw/zinc/06/88/95/528068895.db2.gz QIPXSVXQGWXKJO-OLZOCXBDSA-N 0 0 332.466 1.122 10 0 EDAERN CC(C)c1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173997964 528124555 /nfs/dbraw/zinc/12/45/55/528124555.db2.gz SQGJVGHNMFOXBQ-INIZCTEOSA-N 0 0 338.473 1.905 10 0 EDAERN CC(C)c1ccc([C@@H](C)NC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000172136960 528130064 /nfs/dbraw/zinc/13/00/64/528130064.db2.gz SFUGTJBCSFVPRK-GFCCVEGCSA-N 0 0 332.404 1.722 10 0 EDAERN CCCNC(=O)[C@@H](C)NC(=O)c1cc(N)cc(Br)c1 ZINC000165789873 528422700 /nfs/dbraw/zinc/42/27/00/528422700.db2.gz BDAIDYVNWQUHOB-MRVPVSSYSA-N 0 0 328.210 1.676 10 0 EDAERN CCC[C@H]1NC(=O)CCN(Cc2ccc(Br)cn2)C1=O ZINC000168915193 528436980 /nfs/dbraw/zinc/43/69/80/528436980.db2.gz BMLFIDOIEYBWKS-GFCCVEGCSA-N 0 0 340.221 1.861 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCc1ccccc1O)CC2 ZINC000181754990 528474550 /nfs/dbraw/zinc/47/45/50/528474550.db2.gz SANQYFYIISXJIZ-AWEZNQCLSA-N 0 0 343.431 1.964 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000184325449 528479111 /nfs/dbraw/zinc/47/91/11/528479111.db2.gz QZNIXGUSTRLOQK-MRXNPFEDSA-N 0 0 329.404 1.707 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000184230729 528483411 /nfs/dbraw/zinc/48/34/11/528483411.db2.gz KXUMMQGEWIFWHK-INIZCTEOSA-N 0 0 347.459 1.859 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000184284363 528484651 /nfs/dbraw/zinc/48/46/51/528484651.db2.gz DJZDKPYVNCOLCW-LBPRGKRZSA-N 0 0 347.337 1.833 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173983679 528576276 /nfs/dbraw/zinc/57/62/76/528576276.db2.gz TYYNJEDSRYEVJP-ZDUSSCGKSA-N 0 0 336.417 1.703 10 0 EDAERN CC(C)Cc1nnc(NC(=O)N2CC[C@H](N3CCOCC3)C2)s1 ZINC000173777097 528676820 /nfs/dbraw/zinc/67/68/20/528676820.db2.gz AEAMVJWKGMVUIL-LBPRGKRZSA-N 0 0 339.465 1.675 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@@H](C)C(=O)NCc1ccccc1 ZINC000176569370 528703785 /nfs/dbraw/zinc/70/37/85/528703785.db2.gz SBEVBEJODWAARW-MYODQAERSA-N 0 0 335.433 1.208 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N1c2ccccc2C[C@H]1C ZINC000176564816 528703903 /nfs/dbraw/zinc/70/39/03/528703903.db2.gz RPYVGXWZJZXFDT-YYUOZPCZSA-N 0 0 347.444 1.481 10 0 EDAERN CCOCCN(C)S(=O)(=O)c1cc(CN)oc1Br ZINC000158378263 528715476 /nfs/dbraw/zinc/71/54/76/528715476.db2.gz LZOQBOQRELVKSL-UHFFFAOYSA-N 0 0 341.227 1.158 10 0 EDAERN CCOCCN1CCN(C(=O)CCOC2CCOCC2)C[C@H]1C ZINC000175423605 528736457 /nfs/dbraw/zinc/73/64/57/528736457.db2.gz BEFBCGPDGNZDEW-OAHLLOKOSA-N 0 0 328.453 1.141 10 0 EDAERN CC(F)(F)c1cccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000187463964 528741214 /nfs/dbraw/zinc/74/12/14/528741214.db2.gz LIBAXOLCJKURRA-GFCCVEGCSA-N 0 0 349.341 1.980 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 ZINC000178104415 529227528 /nfs/dbraw/zinc/22/75/28/529227528.db2.gz HLPLCEMEUOHKOJ-OAHLLOKOSA-N 0 0 345.399 1.713 10 0 EDAERN CC[C@@H](OC)c1nc(N)c(I)c(COC)n1 ZINC000158519221 529241935 /nfs/dbraw/zinc/24/19/35/529241935.db2.gz YZYUOBPHWRZOFP-SSDOTTSWSA-N 0 0 337.161 1.907 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C)C(=O)C1 ZINC000152840056 529255419 /nfs/dbraw/zinc/25/54/19/529255419.db2.gz BDSWMWXROOYXOZ-BBRMVZONSA-N 0 0 331.416 1.132 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)c2ccccc2OC)CCN1C[C@@H](C)O ZINC000183961944 529266705 /nfs/dbraw/zinc/26/67/05/529266705.db2.gz YENQNFBLXMEVEO-KGLIPLIRSA-N 0 0 334.416 1.182 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)C1 ZINC000088756531 535515316 /nfs/dbraw/zinc/51/53/16/535515316.db2.gz YIXBYJBOBIDIGQ-OLZOCXBDSA-N 0 0 349.435 1.660 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@]1(O)CCOC1 ZINC000245687400 535866612 /nfs/dbraw/zinc/86/66/12/535866612.db2.gz IROFLBOSFNMDGL-JOQOYGCGSA-N 0 0 334.416 1.099 10 0 EDAERN CN[C@H](C(=O)Nc1cc2c(cc1Cl)OCCO2)c1cnn(C)c1 ZINC000262008599 536387388 /nfs/dbraw/zinc/38/73/88/536387388.db2.gz BSHLQQFIPLOWAP-AWEZNQCLSA-N 0 0 336.779 1.744 10 0 EDAERN COCc1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)o1 ZINC000105816099 536744393 /nfs/dbraw/zinc/74/43/93/536744393.db2.gz VXHZZBUHPFSMNZ-UHFFFAOYSA-N 0 0 330.388 1.957 10 0 EDAERN COc1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 ZINC000195257139 536773732 /nfs/dbraw/zinc/77/37/32/536773732.db2.gz ARWFWHQYAUKLSW-NSHDSACASA-N 0 0 330.388 1.861 10 0 EDAERN COCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 ZINC000073561630 536775389 /nfs/dbraw/zinc/77/53/89/536775389.db2.gz QBGFEGUFWVVULO-KRWDZBQOSA-N 0 0 341.411 1.729 10 0 EDAERN CCOC(=O)CCS(=O)(=O)NC1(C(N)=S)CCC(C)CC1 ZINC000049064214 538122188 /nfs/dbraw/zinc/12/21/88/538122188.db2.gz NDKNNZSBGHLYLA-UHFFFAOYSA-N 0 0 336.479 1.094 10 0 EDAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C[C@@H](N)C(F)(F)C(F)(F)F)C1 ZINC000757152654 578634957 /nfs/dbraw/zinc/63/49/57/578634957.db2.gz ZJEMQBDQHVIRRA-IWSPIJDZSA-N 0 0 338.342 1.819 10 0 EDAERN COc1ccc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c(F)c1 ZINC000888093796 591023060 /nfs/dbraw/zinc/02/30/60/591023060.db2.gz STEKFOWEXSFZMC-JKSUJKDBSA-N 0 0 349.362 1.073 10 0 EDAERN Cc1nc2ccc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)cc2o1 ZINC000888093580 591023570 /nfs/dbraw/zinc/02/35/70/591023570.db2.gz IGMDQAFQZXJHOT-GOEBONIOSA-N 0 0 342.355 1.446 10 0 EDAERN Cc1ccoc1CC(=O)N1CC(N2CCOC[C@H]2c2nc(C)no2)C1 ZINC000888094120 591023626 /nfs/dbraw/zinc/02/36/26/591023626.db2.gz LJIBWHNHFDWSPT-AWEZNQCLSA-N 0 0 346.387 1.106 10 0 EDAERN Cc1cc([C@@H](C)NC(=O)N2CCC(C)(C)S(=O)(=O)CC2)no1 ZINC000888102334 591030678 /nfs/dbraw/zinc/03/06/78/591030678.db2.gz SACQDGACCNWWIW-LLVKDONJSA-N 0 0 329.422 1.653 10 0 EDAERN Brc1c[nH]c(CN2CCC[C@H](Cn3cncn3)C2)n1 ZINC000891415346 591071535 /nfs/dbraw/zinc/07/15/35/591071535.db2.gz OUOXWRFWUXNKNG-JTQLQIEISA-N 0 0 325.214 1.676 10 0 EDAERN Cc1c[nH]cc1C(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818497102 593701505 /nfs/dbraw/zinc/70/15/05/593701505.db2.gz WXNOJBREWOHTAR-QGZVFWFLSA-N 0 0 330.388 1.793 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)[C@H](C)c2cccc(O)c2)cn1 ZINC000823345953 594189878 /nfs/dbraw/zinc/18/98/78/594189878.db2.gz GAFZOADTLAUFHH-OAUYIBNBSA-N 0 0 345.399 1.675 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000101538941 595166281 /nfs/dbraw/zinc/16/62/81/595166281.db2.gz MWYFLYZQFVHXPK-KFWWJZLASA-N 0 0 333.432 1.276 10 0 EDAERN Cn1cc([C@@H]2CCN(Cn3nnn(C4CCOCC4)c3=S)C2)cn1 ZINC000116259128 595862947 /nfs/dbraw/zinc/86/29/47/595862947.db2.gz BVFXXTRGLVKECQ-GFCCVEGCSA-N 0 0 349.464 1.341 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)N=c2nc(C)[nH]n2CC)C1 ZINC000888535361 596352081 /nfs/dbraw/zinc/35/20/81/596352081.db2.gz HCHPDSOOAZUERG-LBPRGKRZSA-N 0 0 332.412 1.051 10 0 EDAERN Cn1ccc2ccc(C(=O)N3C[C@@H]([NH+](C)C)[C@@H](n4ccnn4)C3)cc21 ZINC000869434820 596522672 /nfs/dbraw/zinc/52/26/72/596522672.db2.gz CZJWUTBLPQECEX-SJORKVTESA-N 0 0 338.415 1.397 10 0 EDAERN COCc1nn(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c(=O)o1 ZINC000119623291 596675112 /nfs/dbraw/zinc/67/51/12/596675112.db2.gz OCLXYXSSDFCJJI-GFCCVEGCSA-N 0 0 348.407 1.095 10 0 EDAERN Cc1cnc(CN2CC(N3C[C@@H](c4nc(C5CC5)no4)CC3=O)C2)o1 ZINC000864312905 596831142 /nfs/dbraw/zinc/83/11/42/596831142.db2.gz QDRNVISTLUZBIK-LBPRGKRZSA-N 0 0 343.387 1.444 10 0 EDAERN NC(=O)NCCCOC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000127282423 597685774 /nfs/dbraw/zinc/68/57/74/597685774.db2.gz AEFHBEXTIJPNSD-JTQLQIEISA-N 0 0 343.177 1.527 10 0 EDAERN O=C1C(=O)N(CN2CCC(Cn3cccn3)CC2)c2c1cccc2F ZINC000132659498 597876145 /nfs/dbraw/zinc/87/61/45/597876145.db2.gz BPLPPQFHVRFDRV-UHFFFAOYSA-N 0 0 342.374 1.921 10 0 EDAERN CCOC(=O)c1cnn(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000133232964 597950419 /nfs/dbraw/zinc/95/04/19/597950419.db2.gz GXBIHGNLMPKATP-MRXNPFEDSA-N 0 0 347.419 1.232 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000089387280 695423457 /nfs/dbraw/zinc/42/34/57/695423457.db2.gz BOAHXPLTFXTQLL-CQSZACIVSA-N 0 0 334.482 1.066 10 0 EDAERN CCCCNC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000155183512 697397297 /nfs/dbraw/zinc/39/72/97/697397297.db2.gz DDQXIRXILFCXLX-UHFFFAOYSA-N 0 0 346.431 1.243 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCc1c[nH]c2cccc(OC)c12)C(C)C ZINC000181571982 699786973 /nfs/dbraw/zinc/78/69/73/699786973.db2.gz KBRJSVKEBZRRPM-MRXNPFEDSA-N 0 0 346.431 1.789 10 0 EDAERN Cn1cc([C@@H]2[C@H](C(=O)OCC3(C#N)CCCC3)CCC(=O)N2C)cn1 ZINC000183879879 702741682 /nfs/dbraw/zinc/74/16/82/702741682.db2.gz DWRYOBOBOWCVND-GDBMZVCRSA-N 0 0 344.415 1.957 10 0 EDAERN CNC(=O)[C@@H](NC(=O)NC[C@](C)(O)c1ccccc1Cl)C(C)C ZINC000184246766 703083006 /nfs/dbraw/zinc/08/30/06/703083006.db2.gz XGOICSQEWKTCLI-BBRMVZONSA-N 0 0 341.839 1.617 10 0 EDAERN CCN(CC(=O)OC)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000050086594 214044887 /nfs/dbraw/zinc/04/48/87/214044887.db2.gz KINXZAWLRIZVRZ-UHFFFAOYSA-N 0 0 325.308 1.979 10 0 EDAERN NS(=O)(=O)c1cc(Br)ccc1OC[C@H]1CCOC1 ZINC000050428366 214057249 /nfs/dbraw/zinc/05/72/49/214057249.db2.gz CTOQCFXGWOSWIH-QMMMGPOBSA-N 0 0 336.207 1.512 10 0 EDAERN NC(=S)C1(C(=O)NC[C@H]2CCS(=O)(=O)C2)CCCCCC1 ZINC000050603033 214061287 /nfs/dbraw/zinc/06/12/87/214061287.db2.gz USWPNPZPQXGXAT-LLVKDONJSA-N 0 0 332.491 1.164 10 0 EDAERN CCCNc1ccc(S(=O)(=O)NCCCS(C)(=O)=O)cc1 ZINC000050671322 214065781 /nfs/dbraw/zinc/06/57/81/214065781.db2.gz DYXLHIXHYAALJG-UHFFFAOYSA-N 0 0 334.463 1.222 10 0 EDAERN COc1ccc2[nH]c(=O)c(CCC(=O)N3CCO[C@H](C)C3)cc2c1 ZINC000062510273 214721206 /nfs/dbraw/zinc/72/12/06/214721206.db2.gz GWHBOZPNMGCQTN-GFCCVEGCSA-N 0 0 330.384 1.717 10 0 EDAERN Cn1c2cc(Br)c(C(=O)[C@H]3CCOC3)cc2n(C)c1=O ZINC000051928467 214108825 /nfs/dbraw/zinc/10/88/25/214108825.db2.gz NROUJTLMUNHEBX-QMMMGPOBSA-N 0 0 339.189 1.859 10 0 EDAERN [NH3+][C@H](CCCC(=O)[O-])c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000052094730 214116103 /nfs/dbraw/zinc/11/61/03/214116103.db2.gz VROKOZPBRURQCX-MRVPVSSYSA-N 0 0 328.166 1.873 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)NC1(CO)CCCC1 ZINC000053044428 214161409 /nfs/dbraw/zinc/16/14/09/214161409.db2.gz AZDDYSKVQGRIEM-UHFFFAOYSA-N 0 0 349.250 1.615 10 0 EDAERN CNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 ZINC000062605399 214724306 /nfs/dbraw/zinc/72/43/06/214724306.db2.gz PKKUWDKIEFNFDS-UHFFFAOYSA-N 0 0 330.409 1.793 10 0 EDAERN O=S1(=O)CCN(CC[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000053972915 214208753 /nfs/dbraw/zinc/20/87/53/214208753.db2.gz HFXTWSXDZVYXNN-CYBMUJFWSA-N 0 0 348.262 1.603 10 0 EDAERN O=C(NCc1ccccc1)N1CCN(C(=O)c2cscn2)CC1 ZINC000062614001 214725382 /nfs/dbraw/zinc/72/53/82/214725382.db2.gz NKBHBPJYAZMDAW-UHFFFAOYSA-N 0 0 330.413 1.811 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc(Br)s1)C(N)=S ZINC000054154475 214220553 /nfs/dbraw/zinc/22/05/53/214220553.db2.gz PPBDDPPXEDPMLD-YFKPBYRVSA-N 0 0 343.293 1.711 10 0 EDAERN Ic1ccc(-n2nnnc2CNC2CC2)cc1 ZINC000054744550 214254407 /nfs/dbraw/zinc/25/44/07/214254407.db2.gz GGYQKMBCRIBCHI-UHFFFAOYSA-N 0 0 341.156 1.519 10 0 EDAERN CSCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 ZINC000055252842 214296333 /nfs/dbraw/zinc/29/63/33/214296333.db2.gz OKNGAFCDISHLBT-CYBMUJFWSA-N 0 0 341.502 1.308 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cnn(-c4ccccc4)n3)CCO2)[nH]1 ZINC000173671617 231001347 /nfs/dbraw/zinc/00/13/47/231001347.db2.gz HIPHTDLRZDTCCB-OAHLLOKOSA-N 0 0 325.376 1.267 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1F ZINC000173698029 231009493 /nfs/dbraw/zinc/00/94/93/231009493.db2.gz QSMSWJNYPUEGNS-CYBMUJFWSA-N 0 0 331.351 1.528 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2c(C)nn(CCO)c2C)CCS1 ZINC000158386532 529400037 /nfs/dbraw/zinc/40/00/37/529400037.db2.gz XREWGRPMVNABFC-GFCCVEGCSA-N 0 0 333.479 1.008 10 0 EDAERN C[C@H]1Cc2ccccc2N1C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173928824 231073525 /nfs/dbraw/zinc/07/35/25/231073525.db2.gz BFIUTWYQVMHVBI-RDJZCZTQSA-N 0 0 329.444 1.371 10 0 EDAERN COc1ccc(-c2noc(CN3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000173934113 231074638 /nfs/dbraw/zinc/07/46/38/231074638.db2.gz IHUKDDXZIPBAOK-HNNXBMFYSA-N 0 0 344.415 1.652 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccc(F)c(F)c1 ZINC000173993972 231093961 /nfs/dbraw/zinc/09/39/61/231093961.db2.gz ZZMLXYQRTDPTFN-ZDUSSCGKSA-N 0 0 325.359 1.310 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc(C(C)C)n(C)n3)CC2)no1 ZINC000174218405 231153220 /nfs/dbraw/zinc/15/32/20/231153220.db2.gz NECOOKHNKPBVAZ-UHFFFAOYSA-N 0 0 346.435 1.583 10 0 EDAERN CCNC(=O)N1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000056938664 214396607 /nfs/dbraw/zinc/39/66/07/214396607.db2.gz DDRBZOQOVAMKPP-UHFFFAOYSA-N 0 0 328.420 1.736 10 0 EDAERN Cc1n[nH]c(C)c1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000056937251 214397007 /nfs/dbraw/zinc/39/70/07/214397007.db2.gz IGSTVAKETVYLHD-UHFFFAOYSA-N 0 0 338.408 1.677 10 0 EDAERN CC[C@@H]1NC(=O)[C@H](CC)N(Cc2ccc(Br)cn2)C1=O ZINC000168889399 529463523 /nfs/dbraw/zinc/46/35/23/529463523.db2.gz IIBJKJJOMHSZTN-RYUDHWBXSA-N 0 0 340.221 1.860 10 0 EDAERN COc1ccc2c(c1)CCc1c(C(=O)N3CCN(C)CC3)noc1-2 ZINC000058019302 214472522 /nfs/dbraw/zinc/47/25/22/214472522.db2.gz MBUDCCLHDYYKBF-UHFFFAOYSA-N 0 0 327.384 1.836 10 0 EDAERN CCc1nnsc1C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174989860 231361225 /nfs/dbraw/zinc/36/12/25/231361225.db2.gz DGZMCPLIYZZARG-LLVKDONJSA-N 0 0 348.432 1.068 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000175107318 231385960 /nfs/dbraw/zinc/38/59/60/231385960.db2.gz NYIQOBABTGWNGY-ZDUSSCGKSA-N 0 0 330.454 1.232 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000181853388 529698308 /nfs/dbraw/zinc/69/83/08/529698308.db2.gz OCYWZQHREULDIV-SJORKVTESA-N 0 0 349.475 1.860 10 0 EDAERN CC(=O)N1CCc2ccc(NC(=O)c3cccn(C)c3=O)cc2C1 ZINC000049510737 214013901 /nfs/dbraw/zinc/01/39/01/214013901.db2.gz FNHKNQRGDDRFCS-UHFFFAOYSA-N 0 0 325.368 1.542 10 0 EDAERN COC(=O)CS(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000049525190 214013911 /nfs/dbraw/zinc/01/39/11/214013911.db2.gz VHBFGILIWOOJRM-QMMMGPOBSA-N 0 0 336.207 1.603 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)COc3cc(C)ccc3F)CCO2)[nH]1 ZINC000164078890 529700895 /nfs/dbraw/zinc/70/08/95/529700895.db2.gz CIGXQMNCGUKYHM-CQSZACIVSA-N 0 0 348.378 1.794 10 0 EDAERN CN(c1cccc(C(N)=S)c1)S(=O)(=O)N1CCCCCC1 ZINC000061952618 214689246 /nfs/dbraw/zinc/68/92/46/214689246.db2.gz RJSMZKYDQJYDEY-UHFFFAOYSA-N 0 0 327.475 1.878 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)NS(C)(=O)=O)o1 ZINC000173750385 529726647 /nfs/dbraw/zinc/72/66/47/529726647.db2.gz JHGGECHBXUZKOG-WCQYABFASA-N 0 0 328.434 1.833 10 0 EDAERN CN(C)c1ncc(NC(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000154436705 529811631 /nfs/dbraw/zinc/81/16/31/529811631.db2.gz ATNPVEVQTBWKSQ-UHFFFAOYSA-N 0 0 329.408 1.688 10 0 EDAERN CN(CC(F)F)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl ZINC000137029872 529851180 /nfs/dbraw/zinc/85/11/80/529851180.db2.gz KVLBOGKCSWDIKQ-UHFFFAOYSA-N 0 0 347.170 1.978 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000153819721 539364665 /nfs/dbraw/zinc/36/46/65/539364665.db2.gz BCPUQDNHWRPXRB-CHWSQXEVSA-N 0 0 332.466 1.264 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000158661961 529902695 /nfs/dbraw/zinc/90/26/95/529902695.db2.gz WHUHYWLNEOCGPB-ZBFHGGJFSA-N 0 0 348.422 1.715 10 0 EDAERN C[N@H+](CCn1cc(I)cc1C(=O)[O-])C1CC1 ZINC000167203053 529939482 /nfs/dbraw/zinc/93/94/82/529939482.db2.gz XJGLXGARDAZIPR-UHFFFAOYSA-N 0 0 334.157 1.885 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000126173404 222664553 /nfs/dbraw/zinc/66/45/53/222664553.db2.gz GSDQYGJQNLMGPJ-MRXNPFEDSA-N 0 0 348.447 1.990 10 0 EDAERN COc1ccc(CNC(=O)c2nc3c(cnn3C)c(N(C)C)n2)cc1 ZINC000065257162 214854420 /nfs/dbraw/zinc/85/44/20/214854420.db2.gz VYQQEDALXFZKGP-UHFFFAOYSA-N 0 0 340.387 1.368 10 0 EDAERN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C[C@H](O)C(C)C)c1 ZINC000158806379 530035631 /nfs/dbraw/zinc/03/56/31/530035631.db2.gz YWTBKINUYPWVOL-RISCZKNCSA-N 0 0 328.434 1.179 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCCn2cccn2)[C@H]1c1ccc(F)cc1 ZINC000133756328 530044487 /nfs/dbraw/zinc/04/44/87/530044487.db2.gz HSPIMTWSBOWKPR-NVXWUHKLSA-N 0 0 344.390 1.748 10 0 EDAERN Cc1nc(N)nc(-c2ccc(OC[C@H]3CCCO3)cc2)c1C(N)=O ZINC000066135850 215016066 /nfs/dbraw/zinc/01/60/66/215016066.db2.gz KFMHSSSLEARDHQ-CYBMUJFWSA-N 0 0 328.372 1.691 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)NC[C@H]1CCCCO1 ZINC000042812650 213535432 /nfs/dbraw/zinc/53/54/32/213535432.db2.gz VWYJKKGUFHGQNI-SNVBAGLBSA-N 0 0 349.250 1.879 10 0 EDAERN COC[C@H](C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000103364176 219293528 /nfs/dbraw/zinc/29/35/28/219293528.db2.gz WECVHTSBLMFJNY-AWEZNQCLSA-N 0 0 333.432 1.488 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C)COC)cc1 ZINC000103428036 219298424 /nfs/dbraw/zinc/29/84/24/219298424.db2.gz XAQUUNBBSAQURI-ZDUSSCGKSA-N 0 0 342.461 1.616 10 0 EDAERN C[C@H](NS(=O)(=O)CCCc1ccccc1)C(=O)N1CCCCC1 ZINC000041247826 213434920 /nfs/dbraw/zinc/43/49/20/213434920.db2.gz OQSYUKSPISQQHQ-HNNXBMFYSA-N 0 0 338.473 1.940 10 0 EDAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cccc4c3OCC(=O)N4)CC[C@@H]21 ZINC000329136046 282670072 /nfs/dbraw/zinc/67/00/72/282670072.db2.gz QVSYZWNOQSUSSL-NEPJUHHUSA-N 0 0 330.344 1.110 10 0 EDAERN CCc1nc([C@@]2(NCCOC)CCCS(=O)(=O)C2)sc1C ZINC000069139712 215363352 /nfs/dbraw/zinc/36/33/52/215363352.db2.gz XHEJBPUHAPQLMD-CQSZACIVSA-N 0 0 332.491 1.654 10 0 EDAERN O=C(CCCCc1ccccc1)N1CCO[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000040666290 213366414 /nfs/dbraw/zinc/36/64/14/213366414.db2.gz HCLKLPXGPWDQMA-HZPDHXFCSA-N 0 0 337.441 1.424 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccnn3C(C)(C)C)C2)cn1 ZINC000180680514 233951734 /nfs/dbraw/zinc/95/17/34/233951734.db2.gz LBVZTVZLDNNCND-LBPRGKRZSA-N 0 0 344.419 1.326 10 0 EDAERN CCOc1ccnc(N2CCN([C@H](C)c3nc(COC)no3)CC2)n1 ZINC000181847644 234347551 /nfs/dbraw/zinc/34/75/51/234347551.db2.gz OPLBTTQNYZVSEI-GFCCVEGCSA-N 0 0 348.407 1.288 10 0 EDAERN CCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000127667850 222869421 /nfs/dbraw/zinc/86/94/21/222869421.db2.gz ZXODXZAOMGXQCU-ZDUSSCGKSA-N 0 0 342.461 1.838 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCOC1 ZINC000040332689 213292596 /nfs/dbraw/zinc/29/25/96/213292596.db2.gz JZAKQWJMEZBITI-MRVPVSSYSA-N 0 0 335.223 1.346 10 0 EDAERN O=C(Nc1cccc(Br)c1)N[C@H]1C=CS(=O)(=O)C1 ZINC000040166554 213278314 /nfs/dbraw/zinc/27/83/14/213278314.db2.gz PMGFWEIBLIQRFL-JTQLQIEISA-N 0 0 331.191 1.881 10 0 EDAERN CCCCS(=O)(=O)Nc1ccc(CC(=O)NCCOC)cc1 ZINC000038716558 213222339 /nfs/dbraw/zinc/22/23/39/213222339.db2.gz SIEMDHWQBYRYKF-UHFFFAOYSA-N 0 0 328.434 1.534 10 0 EDAERN Cc1ccc(S(=O)(=O)NCNC(=O)Nc2ccc(O)cc2)cc1 ZINC000038712441 213221928 /nfs/dbraw/zinc/22/19/28/213221928.db2.gz VDDUYKZNDIPPID-UHFFFAOYSA-N 0 0 335.385 1.758 10 0 EDAERN Cc1ccc2[nH]c(N3CCN(S(=O)(=O)c4c[nH]cn4)CC3)nc2c1 ZINC000038554623 213214620 /nfs/dbraw/zinc/21/46/20/213214620.db2.gz JFEWFOSDQYMBNU-UHFFFAOYSA-N 0 0 346.416 1.105 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NC[C@H]3Cc4ccccc43)CCO2)[nH]1 ZINC000175436711 540097125 /nfs/dbraw/zinc/09/71/25/540097125.db2.gz USEHFKYEHBNVLT-UKRRQHHQSA-N 0 0 327.388 1.536 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1cccs1 ZINC000181002600 540123163 /nfs/dbraw/zinc/12/31/63/540123163.db2.gz GNMUKVUWLJARNA-SNVBAGLBSA-N 0 0 341.458 1.828 10 0 EDAERN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCC[C@H]1O ZINC000182698328 540133844 /nfs/dbraw/zinc/13/38/44/540133844.db2.gz XROLOVSHDYPSFT-HUUCEWRRSA-N 0 0 343.493 1.985 10 0 EDAERN CCOc1ccc2cc(C(=O)N3CC(NC(=O)COC)C3)[nH]c2c1 ZINC000185217767 540147864 /nfs/dbraw/zinc/14/78/64/540147864.db2.gz NJEQDSREXSCTGH-UHFFFAOYSA-N 0 0 331.372 1.154 10 0 EDAERN C[C@@H](CNC(=O)NCCc1ccc(F)c(F)c1)N1CCOCC1 ZINC000188612082 540159959 /nfs/dbraw/zinc/15/99/59/540159959.db2.gz PDXCLAKGZLXURJ-LBPRGKRZSA-N 0 0 327.375 1.527 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCCC2 ZINC000189122919 540163164 /nfs/dbraw/zinc/16/31/64/540163164.db2.gz FNYBMNUAWIEMIZ-LVQVYYBASA-N 0 0 338.448 1.212 10 0 EDAERN CCOc1cnc(C(=O)N2CCC[C@H](c3nncn3CC)C2)cn1 ZINC000189320887 540164604 /nfs/dbraw/zinc/16/46/04/540164604.db2.gz SYKFGQVFJFSWBT-LBPRGKRZSA-N 0 0 330.392 1.507 10 0 EDAERN NC(=S)c1ccc(NC(=O)Cn2cc(Br)cn2)cc1 ZINC000038054327 213198667 /nfs/dbraw/zinc/19/86/67/213198667.db2.gz HJORTJBIIBCOLP-UHFFFAOYSA-N 0 0 339.218 1.919 10 0 EDAERN NC(=S)c1ccccc1NC(=O)Cn1cc(Br)cn1 ZINC000038054325 213198809 /nfs/dbraw/zinc/19/88/09/213198809.db2.gz ZRTORGGCTCYGIO-UHFFFAOYSA-N 0 0 339.218 1.919 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)NCCC(C)(C)C)CC1 ZINC000105865946 219567573 /nfs/dbraw/zinc/56/75/73/219567573.db2.gz MBJRPIMSSLIGHB-UHFFFAOYSA-N 0 0 349.523 1.707 10 0 EDAERN Cc1cc(Cl)ccc1OCC(=O)NC[C@H](C)N1CCOCC1 ZINC000029958330 138097288 /nfs/dbraw/zinc/09/72/88/138097288.db2.gz OMGNEQVRHFUPKV-ZDUSSCGKSA-N 0 0 326.824 1.864 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(OC(F)F)c1)[C@H]1CCCO1 ZINC000041917467 138105493 /nfs/dbraw/zinc/10/54/93/138105493.db2.gz BTBGUSTYIXNIQW-JOYOIKCWSA-N 0 0 328.315 1.910 10 0 EDAERN COC(=O)C[C@@H](C)C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000151755052 291102290 /nfs/dbraw/zinc/10/22/90/291102290.db2.gz WVCXSVCXQYCSQV-OLZOCXBDSA-N 0 0 334.420 1.867 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000185304500 235636045 /nfs/dbraw/zinc/63/60/45/235636045.db2.gz IMQNWIFHPPINML-QZTJIDSGSA-N 0 0 338.407 1.917 10 0 EDAERN C[C@H]1COC[C@H](C)N1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000077365402 138252417 /nfs/dbraw/zinc/25/24/17/138252417.db2.gz MIMSHJZJSGXZMS-QWRGUYRKSA-N 0 0 341.358 1.129 10 0 EDAERN Cc1ccc(-c2nnn(CC(=O)NC[C@H]3CCCC[C@H]3O)n2)cc1 ZINC000077160690 138251557 /nfs/dbraw/zinc/25/15/57/138251557.db2.gz BNLAMSNPKHHECY-HUUCEWRRSA-N 0 0 329.404 1.316 10 0 EDAERN CCOCc1ccc(CNC(=O)CN2CCC[C@H](NC(C)=O)C2)cc1 ZINC000077170163 138251707 /nfs/dbraw/zinc/25/17/07/138251707.db2.gz DVXZIDSYPULRNX-SFHVURJKSA-N 0 0 347.459 1.440 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)NC1CCCCC1 ZINC000082977841 138268181 /nfs/dbraw/zinc/26/81/81/138268181.db2.gz IAGPGRQPKZSTJW-CYBMUJFWSA-N 0 0 334.424 1.170 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(C)ccc1F ZINC000083755022 138269485 /nfs/dbraw/zinc/26/94/85/138269485.db2.gz QFBAUTCUNWJURP-GFCCVEGCSA-N 0 0 331.351 1.624 10 0 EDAERN COc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083750357 138269547 /nfs/dbraw/zinc/26/95/47/138269547.db2.gz HDDCBTRVNDGSHI-CABCVRRESA-N 0 0 345.403 1.463 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)N2CCc3ccccc32)C1 ZINC000079509358 138261753 /nfs/dbraw/zinc/26/17/53/138261753.db2.gz AUZQZGUBFUGDPE-WMLDXEAASA-N 0 0 344.459 1.748 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1ccc(F)cc1 ZINC000105889010 219580448 /nfs/dbraw/zinc/58/04/48/219580448.db2.gz ZRTZVAIUMFUPDW-MRXNPFEDSA-N 0 0 332.379 1.039 10 0 EDAERN Cc1cc(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c2c(=O)[nH]n(C)c2n1 ZINC000081450993 138266664 /nfs/dbraw/zinc/26/66/64/138266664.db2.gz HGXOTWCBQYYIHP-JTQLQIEISA-N 0 0 348.403 1.372 10 0 EDAERN COC(=O)c1ccc(CCNC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000081475199 138266676 /nfs/dbraw/zinc/26/66/76/138266676.db2.gz FQGICECNLQRODG-JKSUJKDBSA-N 0 0 334.416 1.866 10 0 EDAERN Cc1nc(C[C@H]2CCC[N@H+](CCC[N-]C(=O)C(F)(F)F)C2)no1 ZINC000091555616 138284330 /nfs/dbraw/zinc/28/43/30/138284330.db2.gz KYJXFZSWRPDVHL-LLVKDONJSA-N 0 0 334.342 1.701 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)NCc3ccc(F)cc3)CCO2)c1 ZINC000105891709 219581590 /nfs/dbraw/zinc/58/15/90/219581590.db2.gz CYYBNCARLVJBQT-QGZVFWFLSA-N 0 0 346.406 1.348 10 0 EDAERN CCOc1cc([C@H]2NC(=O)[C@H]3COCCN32)ccc1OC(F)F ZINC000093885507 138294843 /nfs/dbraw/zinc/29/48/43/138294843.db2.gz LYTCVPITTIBLTA-MFKMUULPSA-N 0 0 328.315 1.516 10 0 EDAERN NC(=O)c1cccc(CNC(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000111819966 138308790 /nfs/dbraw/zinc/30/87/90/138308790.db2.gz UZULLKOBFNJAEN-CYBMUJFWSA-N 0 0 346.412 1.525 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOc1ccc(C=O)cc1)CC2 ZINC000114869399 138310757 /nfs/dbraw/zinc/31/07/57/138310757.db2.gz LYVABMZAWCIUCQ-AWEZNQCLSA-N 0 0 342.399 1.553 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccccc1OC)CC2 ZINC000114870554 138310831 /nfs/dbraw/zinc/31/08/31/138310831.db2.gz SOTCWMZERDNTLT-AWEZNQCLSA-N 0 0 328.416 1.913 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)CC2 ZINC000123939752 138322558 /nfs/dbraw/zinc/32/25/58/138322558.db2.gz APURHIBCCBGOQZ-NSHDSACASA-N 0 0 349.435 1.329 10 0 EDAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125119824 138332345 /nfs/dbraw/zinc/33/23/45/138332345.db2.gz APACPNCFUYGZAC-UHFFFAOYSA-N 0 0 344.390 1.614 10 0 EDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000125489543 138334418 /nfs/dbraw/zinc/33/44/18/138334418.db2.gz ALWYVEBSQCOOMR-UHFFFAOYSA-N 0 0 347.440 1.974 10 0 EDAERN Cc1cnn(CCNC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 ZINC000130585798 138342893 /nfs/dbraw/zinc/34/28/93/138342893.db2.gz FVCVVJIJLISQGY-UHFFFAOYSA-N 0 0 328.351 1.400 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1c(F)cccc1Cl ZINC000132137698 138372095 /nfs/dbraw/zinc/37/20/95/138372095.db2.gz FZKSTYUDKABMAT-MRVPVSSYSA-N 0 0 330.772 1.364 10 0 EDAERN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)[C@H]1CSCN1 ZINC000037034044 213131243 /nfs/dbraw/zinc/13/12/43/213131243.db2.gz XJIBIXUILKFKLM-SECBINFHSA-N 0 0 343.206 1.220 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151358090 138452415 /nfs/dbraw/zinc/45/24/15/138452415.db2.gz QKUWCSMOPLRYTR-RDTXWAMCSA-N 0 0 337.464 1.772 10 0 EDAERN O=C(C[C@@H]1CSCCS1)N1CCC[C@H](Cn2cncn2)C1 ZINC000153350746 138494955 /nfs/dbraw/zinc/49/49/55/138494955.db2.gz ACSWEFLRJOJZIE-QWHCGFSZSA-N 0 0 326.491 1.755 10 0 EDAERN C[C@](O)(CCNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000187188360 236141187 /nfs/dbraw/zinc/14/11/87/236141187.db2.gz GDUYEWZIIBUYLD-YOEHRIQHSA-N 0 0 329.404 1.190 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)Cc2cccc(C)c2)C[C@@H]1C ZINC000036124300 213071559 /nfs/dbraw/zinc/07/15/59/213071559.db2.gz LRVUXPQMKBTKFC-HOTGVXAUSA-N 0 0 340.489 1.866 10 0 EDAERN COCCn1ccc(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)n1 ZINC000187616191 236260620 /nfs/dbraw/zinc/26/06/20/236260620.db2.gz XZCSKXNWAUSFFT-ZDUSSCGKSA-N 0 0 333.392 1.316 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)NCc1ccnn1C ZINC000071336476 215763837 /nfs/dbraw/zinc/76/38/37/215763837.db2.gz OYDQSJXJZXRJCQ-UHFFFAOYSA-N 0 0 338.209 1.939 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NCCCC1CCCCC1 ZINC000173985492 138678119 /nfs/dbraw/zinc/67/81/19/138678119.db2.gz CSTDEPUKNSFVHN-GOSISDBHSA-N 0 0 337.508 1.870 10 0 EDAERN CCc1nc(C2(NC(=O)CS(=O)(=O)CC(C)C)CCCC2)no1 ZINC000175149009 138692052 /nfs/dbraw/zinc/69/20/52/138692052.db2.gz XOJWRUTZXVPSCZ-UHFFFAOYSA-N 0 0 343.449 1.588 10 0 EDAERN Cc1ccc([C@H](CNC(=O)CCn2cncn2)N2CCOCC2)s1 ZINC000176551060 138710463 /nfs/dbraw/zinc/71/04/63/138710463.db2.gz BJHOZHDHBJVRAU-AWEZNQCLSA-N 0 0 349.460 1.228 10 0 EDAERN Cc1ccc(-c2cncc(C(=O)N3CCOC[C@H]3C(N)=O)c2)cc1 ZINC000180275483 138758159 /nfs/dbraw/zinc/75/81/59/138758159.db2.gz VGQOQLNSOCSITP-INIZCTEOSA-N 0 0 325.368 1.383 10 0 EDAERN COc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CCOCC3)[nH]n2)cc1 ZINC000129394330 223051839 /nfs/dbraw/zinc/05/18/39/223051839.db2.gz LZWDJJGTZKXGKV-CYBMUJFWSA-N 0 0 344.415 1.536 10 0 EDAERN Cc1nc2nc(C)c3c(ccn(-c4ccc5c(c4)OCCO5)c3=O)n2n1 ZINC000072449486 216239157 /nfs/dbraw/zinc/23/91/57/216239157.db2.gz MSPVNDRWFRNNQU-UHFFFAOYSA-N 0 0 349.350 1.816 10 0 EDAERN CCc1nc(CC)c2c(ccn(-c3nc[nH]n3)c2=O)c1C(=O)OC ZINC000072452185 216240173 /nfs/dbraw/zinc/24/01/73/216240173.db2.gz KMGNEKRYEJIQCB-UHFFFAOYSA-N 0 0 327.344 1.415 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCOCC(F)F)CCO2)n1 ZINC000190266623 238346295 /nfs/dbraw/zinc/34/62/95/238346295.db2.gz OHXRJOBCRPIXJE-CYBMUJFWSA-N 0 0 346.378 1.192 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000130790178 223176790 /nfs/dbraw/zinc/17/67/90/223176790.db2.gz JUNPOOVJBPKYKU-UHFFFAOYSA-N 0 0 345.403 1.619 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000130907702 223187238 /nfs/dbraw/zinc/18/72/38/223187238.db2.gz DFOUWPRXDNGAGI-AWEZNQCLSA-N 0 0 330.392 1.038 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C[C@@H]3CSCCS3)CCO2)c1 ZINC000131552552 223245398 /nfs/dbraw/zinc/24/53/98/223245398.db2.gz LZUMEXGEICZOIJ-UONOGXRCSA-N 0 0 341.502 1.658 10 0 EDAERN O=C(Nc1ncc(Cc2ccccc2)s1)C(=O)N1CCC[C@H]1CO ZINC000190807125 238744492 /nfs/dbraw/zinc/74/44/92/238744492.db2.gz MCFRORZKGVXQLO-ZDUSSCGKSA-N 0 0 345.424 1.656 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000188063945 138831063 /nfs/dbraw/zinc/83/10/63/138831063.db2.gz MCJGAWIIFNOCDA-CQSZACIVSA-N 0 0 330.432 1.813 10 0 EDAERN COc1ccc(C(C)(C)C(=O)N2CCCNC(=O)[C@@H]2C)cc1OC ZINC000188437113 138841286 /nfs/dbraw/zinc/84/12/86/138841286.db2.gz RVPUVFNKSAAEJW-LBPRGKRZSA-N 0 0 334.416 1.718 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)C1 ZINC000188567152 138845075 /nfs/dbraw/zinc/84/50/75/138845075.db2.gz UPJMUIRTLOQTSW-UHFFFAOYSA-N 0 0 326.418 1.291 10 0 EDAERN C[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1cccs1 ZINC000188588606 138845517 /nfs/dbraw/zinc/84/55/17/138845517.db2.gz RBCZNSDTGOYQMJ-NSHDSACASA-N 0 0 330.413 1.570 10 0 EDAERN C[C@H](CC(=O)Nc1ccc(N2CCOCC2)nc1)N1CCCCC1=O ZINC000188948196 138856517 /nfs/dbraw/zinc/85/65/17/138856517.db2.gz RRJXKILGHWTAKK-CQSZACIVSA-N 0 0 346.431 1.648 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)N3CC(NC(=O)C4CC4)C3)cc2)n1 ZINC000189358981 138868950 /nfs/dbraw/zinc/86/89/50/138868950.db2.gz HUKYWUHDJXWLCQ-UHFFFAOYSA-N 0 0 338.411 1.840 10 0 EDAERN COc1ccc(S[C@H](C)C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189465469 138874648 /nfs/dbraw/zinc/87/46/48/138874648.db2.gz MFFUXPRMTGCLJL-LLVKDONJSA-N 0 0 334.441 1.913 10 0 EDAERN CCc1nc2c(c(C(=O)N(CC)Cc3cn(C)nc3C)n1)OCCO2 ZINC000075558409 216635822 /nfs/dbraw/zinc/63/58/22/216635822.db2.gz NHSZKSPQGPUTPI-UHFFFAOYSA-N 0 0 345.403 1.514 10 0 EDAERN CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC000021450570 212224382 /nfs/dbraw/zinc/22/43/82/212224382.db2.gz BSUXQCBNFISIPX-MRXNPFEDSA-N 0 0 329.444 1.820 10 0 EDAERN C[C@H](NC(=O)CCNC(=O)N1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000109944271 220004308 /nfs/dbraw/zinc/00/43/08/220004308.db2.gz BGQFGQQEWPJANI-YOEHRIQHSA-N 0 0 345.443 1.828 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000190678047 138895231 /nfs/dbraw/zinc/89/52/31/138895231.db2.gz DWCQBQFNVACXIQ-MRVPVSSYSA-N 0 0 344.198 1.669 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(NC=O)cc3)CCO2)cn1 ZINC000191789644 138924228 /nfs/dbraw/zinc/92/42/28/138924228.db2.gz MSJDDYBOGCTPQM-INIZCTEOSA-N 0 0 328.372 1.685 10 0 EDAERN COC[C@@H](O)CCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000133999668 223463792 /nfs/dbraw/zinc/46/37/92/223463792.db2.gz PFDWNFLBJWQMGY-BBRMVZONSA-N 0 0 332.404 1.630 10 0 EDAERN COCCNC(=O)[C@@H](C)Oc1ccc(Br)cc1C=O ZINC000020310672 212118141 /nfs/dbraw/zinc/11/81/41/212118141.db2.gz FYXNZENMHNWEDQ-SECBINFHSA-N 0 0 330.178 1.792 10 0 EDAERN O=C(CN1C(=O)C(=O)c2ccc(Br)cc21)NCC1CC1 ZINC000019967140 212091104 /nfs/dbraw/zinc/09/11/04/212091104.db2.gz MLNWHUHXBDUGRW-UHFFFAOYSA-N 0 0 337.173 1.505 10 0 EDAERN CCN(CC)C(=O)CN1c2cccc(Br)c2C(=O)C1=O ZINC000019966742 212090359 /nfs/dbraw/zinc/09/03/59/212090359.db2.gz GABJHONRONUGBH-UHFFFAOYSA-N 0 0 339.189 1.847 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000193368272 138967735 /nfs/dbraw/zinc/96/77/35/138967735.db2.gz IALVDPWYVSQRQX-KSHAWTQOSA-N 0 0 334.391 1.717 10 0 EDAERN CCn1c2ccc(S(=O)(=O)N3[C@H](C)COC[C@H]3C)cc2oc1=O ZINC000040669987 213366911 /nfs/dbraw/zinc/36/69/11/213366911.db2.gz ZDAMJDURWTXFSU-GHMZBOCLSA-N 0 0 340.401 1.412 10 0 EDAERN O=C(c1ncccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000194898575 139002211 /nfs/dbraw/zinc/00/22/11/139002211.db2.gz AWGMDUXNIKMJBE-LLVKDONJSA-N 0 0 340.221 1.391 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCC3(SC)CCC3)CCO2)[nH]1 ZINC000195098774 139006995 /nfs/dbraw/zinc/00/69/95/139006995.db2.gz HBGAJJZKBQBONT-LLVKDONJSA-N 0 0 339.465 1.736 10 0 EDAERN CC(=O)Nc1nc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cs1 ZINC000195287618 139012671 /nfs/dbraw/zinc/01/26/71/139012671.db2.gz FJPRLUIRBAMXHS-JTQLQIEISA-N 0 0 348.432 1.561 10 0 EDAERN O=C(c1cnc(-c2ncccn2)s1)N1CCN2CCCC[C@@H]2C1 ZINC000195447275 139016844 /nfs/dbraw/zinc/01/68/44/139016844.db2.gz JKXWPQZWZQVMAB-GFCCVEGCSA-N 0 0 329.429 1.910 10 0 EDAERN Cc1cc(NC(=O)CN2CC[C@@H](CNc3ccccn3)C2)n(C)n1 ZINC000195515858 139018801 /nfs/dbraw/zinc/01/88/01/139018801.db2.gz FPHUKZMUUHAIPR-AWEZNQCLSA-N 0 0 328.420 1.496 10 0 EDAERN CCN(CC)C(=O)CN1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000049389665 214004980 /nfs/dbraw/zinc/00/49/80/214004980.db2.gz UILCPFINCBILQL-UHFFFAOYSA-N 0 0 333.388 1.568 10 0 EDAERN COc1cc(OC)cc(C(=O)NCc2nn3c(C)nnc3s2)c1 ZINC000049721797 214028948 /nfs/dbraw/zinc/02/89/48/214028948.db2.gz DNWBOZCBHUKSOK-UHFFFAOYSA-N 0 0 333.373 1.441 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ncoc1[C@@H]1CCCO1 ZINC000135271328 223563412 /nfs/dbraw/zinc/56/34/12/223563412.db2.gz VPWSKHSCPJCUDI-OLZOCXBDSA-N 0 0 343.387 1.715 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135265128 223563803 /nfs/dbraw/zinc/56/38/03/223563803.db2.gz LADSPCRYHZBVSY-UONOGXRCSA-N 0 0 327.388 1.424 10 0 EDAERN C[C@H](CNC(=O)[C@@H]1SCCc2sccc21)N1CCOCC1 ZINC000079506415 217237380 /nfs/dbraw/zinc/23/73/80/217237380.db2.gz KFXZTEQOBZQUIV-BXUZGUMPSA-N 0 0 326.487 1.915 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)CCc3ccccn3)CCO2)n1 ZINC000110897811 220076910 /nfs/dbraw/zinc/07/69/10/220076910.db2.gz RJADBKQMLKNKAW-KRWDZBQOSA-N 0 0 328.416 1.755 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)n1 ZINC000110900736 220077694 /nfs/dbraw/zinc/07/76/94/220077694.db2.gz MCISCIXUYWQNFH-INIZCTEOSA-N 0 0 342.399 1.366 10 0 EDAERN CC(C)(C)C(=O)NCCCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111088977 220098665 /nfs/dbraw/zinc/09/86/65/220098665.db2.gz IMLCDZAXGLXUQJ-AWEZNQCLSA-N 0 0 336.436 1.053 10 0 EDAERN O=C(C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc2c(c1)CCC2 ZINC000111086274 220099004 /nfs/dbraw/zinc/09/90/04/220099004.db2.gz JXWSHXUWMKDQQD-KRWDZBQOSA-N 0 0 339.395 1.482 10 0 EDAERN C[C@H]1CN(C(=O)CNC(=O)N2CCc3ccccc3C2)CCS1 ZINC000111608597 220170374 /nfs/dbraw/zinc/17/03/74/220170374.db2.gz YTYQKXPELAXOBZ-ZDUSSCGKSA-N 0 0 333.457 1.718 10 0 EDAERN NC(=O)c1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1F ZINC000111755917 220188976 /nfs/dbraw/zinc/18/89/76/220188976.db2.gz UFOHALPEIZIQHB-GFCCVEGCSA-N 0 0 347.350 1.054 10 0 EDAERN Cn1cc(CCC(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000081342355 217385852 /nfs/dbraw/zinc/38/58/52/217385852.db2.gz GGVQKAFNFOVYRL-AWEZNQCLSA-N 0 0 336.436 1.868 10 0 EDAERN O=C(NCCc1cccc(O)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111851750 220207087 /nfs/dbraw/zinc/20/70/87/220207087.db2.gz LZVMSDAULGWMGS-INIZCTEOSA-N 0 0 330.388 1.242 10 0 EDAERN O=S(=O)(Cc1ccc(Cl)nc1)N1CCN2CCCC[C@H]2C1 ZINC000245198274 139070940 /nfs/dbraw/zinc/07/09/40/139070940.db2.gz JHCAHKICXUKXBU-ZDUSSCGKSA-N 0 0 329.853 1.735 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1nnnc1C(C)C ZINC000245411814 139072885 /nfs/dbraw/zinc/07/28/85/139072885.db2.gz YPQCTXCHQMDSRF-AVGNSLFASA-N 0 0 335.408 1.129 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000112049159 220234680 /nfs/dbraw/zinc/23/46/80/220234680.db2.gz JKZBZDXMCFNWNY-RYUDHWBXSA-N 0 0 329.356 1.541 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2CCCC[C@H]2O)ncn1 ZINC000245496385 139076998 /nfs/dbraw/zinc/07/69/98/139076998.db2.gz RHEOTRNGJFOVQI-HZSPNIEDSA-N 0 0 348.451 1.090 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)NCCCOC)CC2)n1 ZINC000112130378 220250210 /nfs/dbraw/zinc/25/02/10/220250210.db2.gz NVOCRLHKNOWIQE-LBPRGKRZSA-N 0 0 325.413 1.057 10 0 EDAERN Nc1c(Br)cnn1[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000147629647 223723602 /nfs/dbraw/zinc/72/36/02/223723602.db2.gz UYGXIUSZKRPZHG-JTQLQIEISA-N 0 0 342.218 1.995 10 0 EDAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000245803146 139086490 /nfs/dbraw/zinc/08/64/90/139086490.db2.gz BCPDSUIHNRRKFC-YDHLFZDLSA-N 0 0 344.419 1.489 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@](C)(O)c1ccccc1 ZINC000083749637 217555378 /nfs/dbraw/zinc/55/53/78/217555378.db2.gz YAXIVHYQMCQFPK-RHSMWYFYSA-N 0 0 329.404 1.628 10 0 EDAERN C[C@H](OC[C@H]1CCCO1)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246186487 139098365 /nfs/dbraw/zinc/09/83/65/139098365.db2.gz SRJGKJLXDAOBKV-HRCADAONSA-N 0 0 348.447 1.488 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)C[C@H]1N1CCOCC1 ZINC000246509702 139111438 /nfs/dbraw/zinc/11/14/38/139111438.db2.gz QOTYAVHAYCQIQP-GXTWGEPZSA-N 0 0 338.839 1.326 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000246606869 139115006 /nfs/dbraw/zinc/11/50/06/139115006.db2.gz AWQDHRJJFRQEKT-RWMBFGLXSA-N 0 0 332.404 1.309 10 0 EDAERN C[C@H](C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000246714217 139118284 /nfs/dbraw/zinc/11/82/84/139118284.db2.gz KXDBUILGVLUQCA-IXDOHACOSA-N 0 0 345.487 1.347 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3ccc(F)cc3)CCO2)[nH]1 ZINC000246952057 139128215 /nfs/dbraw/zinc/12/82/15/139128215.db2.gz KOTRMRPMQXHANF-UKRRQHHQSA-N 0 0 336.367 1.065 10 0 EDAERN O=C(NCC[S@](=O)Cc1ccccc1)NC[C@H]1CCCC[C@H]1O ZINC000246967634 139128909 /nfs/dbraw/zinc/12/89/09/139128909.db2.gz OOKQBCIIMHAHGR-LNPFQXMTSA-N 0 0 338.473 1.786 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)CCC(C)C ZINC000247008527 139131193 /nfs/dbraw/zinc/13/11/93/139131193.db2.gz QVKBXXNOTJSMBB-ZBFHGGJFSA-N 0 0 348.509 1.494 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C[C@@H]1C ZINC000247029928 139132134 /nfs/dbraw/zinc/13/21/34/139132134.db2.gz IDYUQZFMFGVIQJ-WMLDXEAASA-N 0 0 346.427 1.337 10 0 EDAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000247171606 139138704 /nfs/dbraw/zinc/13/87/04/139138704.db2.gz YOLFGMVCDFRLAG-QJPTWQEYSA-N 0 0 336.440 1.278 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)C(C)C ZINC000247208928 139140750 /nfs/dbraw/zinc/14/07/50/139140750.db2.gz VNLPXUKCGREPEZ-NFAWXSAZSA-N 0 0 346.493 1.207 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)C[C@@H](C)O1 ZINC000247312723 139144633 /nfs/dbraw/zinc/14/46/33/139144633.db2.gz WDUCWNOYCCWDTJ-JMSVASOKSA-N 0 0 330.384 1.141 10 0 EDAERN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCC[C@@H](n2cncn2)C1 ZINC000247370911 139146157 /nfs/dbraw/zinc/14/61/57/139146157.db2.gz URWFMAJWUQVTRV-UKRRQHHQSA-N 0 0 342.403 1.652 10 0 EDAERN CS(=O)(=O)Cc1nc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000247971750 139156545 /nfs/dbraw/zinc/15/65/45/139156545.db2.gz HJVZPTCHNKGDLS-WFASDCNBSA-N 0 0 344.502 1.815 10 0 EDAERN COC[C@@H](C)C(=O)N[C@@H](CNC(=O)[C@@H](C)COC)c1ccc(C)o1 ZINC000248138122 139158572 /nfs/dbraw/zinc/15/85/72/139158572.db2.gz XWIWUZSGTFYSML-SCRDCRAPSA-N 0 0 340.420 1.427 10 0 EDAERN CN(CCc1ccccn1)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C ZINC000012200198 211318295 /nfs/dbraw/zinc/31/82/95/211318295.db2.gz YOFJULZFKHTNCY-INIZCTEOSA-N 0 0 346.475 1.319 10 0 EDAERN C[NH+](C)CC[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000012141644 211302941 /nfs/dbraw/zinc/30/29/41/211302941.db2.gz VUCWOFQXSJKPLA-UHFFFAOYSA-N 0 0 343.193 1.567 10 0 EDAERN CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091778745 218064566 /nfs/dbraw/zinc/06/45/66/218064566.db2.gz JUTNSUGNDUDMAB-NSHDSACASA-N 0 0 344.209 1.158 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000091782485 218065723 /nfs/dbraw/zinc/06/57/23/218065723.db2.gz DNLOHYHJKUKDSI-SNVBAGLBSA-N 0 0 349.239 1.798 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000091785678 218065892 /nfs/dbraw/zinc/06/58/92/218065892.db2.gz HKXWGYBJFCJSJX-ZDUSSCGKSA-N 0 0 347.346 1.126 10 0 EDAERN COc1sc([C@@H]2NC(=O)[C@@H]3COCCN23)cc1Br ZINC000093883811 218255423 /nfs/dbraw/zinc/25/54/23/218255423.db2.gz FQJDZRFCEZUJRW-IONNQARKSA-N 0 0 333.207 1.348 10 0 EDAERN O=C1[C@@H](N2CC[C@H](CNc3ccccn3)C2)CCN1CC(F)(F)F ZINC000252442874 139204553 /nfs/dbraw/zinc/20/45/53/139204553.db2.gz FCIHNGKCYGUNPS-OLZOCXBDSA-N 0 0 342.365 1.979 10 0 EDAERN CCOCC[N@@H+]1CCN(Cc2nc3ccsc3c(=O)[nH]2)C[C@H]1C ZINC000253541752 139206605 /nfs/dbraw/zinc/20/66/05/139206605.db2.gz AEOXRSCTQIRYSL-GFCCVEGCSA-N 0 0 336.461 1.940 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3C[C@]34CCc3ccccc34)CCO2)[nH]1 ZINC000253549894 139206954 /nfs/dbraw/zinc/20/69/54/139206954.db2.gz MOMFOWAZKMWLGI-GJYPPUQNSA-N 0 0 338.411 1.917 10 0 EDAERN C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)c1ccc(Cl)cc1 ZINC000112229558 220270232 /nfs/dbraw/zinc/27/02/32/220270232.db2.gz MNUKKKMEVJOCNL-SNVBAGLBSA-N 0 0 331.763 1.422 10 0 EDAERN Cn1ccnc1C1CCN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000095513159 218422734 /nfs/dbraw/zinc/42/27/34/218422734.db2.gz LARSBYZGKKJTRN-LBPRGKRZSA-N 0 0 336.461 1.136 10 0 EDAERN NCc1nc(CN2CCC([C@H]3c4ccccc4NC3=O)CC2)no1 ZINC000262121250 139252621 /nfs/dbraw/zinc/25/26/21/139252621.db2.gz BZSMFKDOJGVZMC-INIZCTEOSA-N 0 0 327.388 1.476 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000173732747 533045213 /nfs/dbraw/zinc/04/52/13/533045213.db2.gz MPWOPKOMPNAOBB-GFCCVEGCSA-N 0 0 339.392 1.884 10 0 EDAERN CN1CC[NH2+]C[C@H]1c1noc(C2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000263269617 139332144 /nfs/dbraw/zinc/33/21/44/139332144.db2.gz SAAYIKPRJMZKMS-AWEZNQCLSA-N 0 0 345.403 1.259 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccccc1OCC(F)F)[C@H]1CCCO1 ZINC000153403836 224099782 /nfs/dbraw/zinc/09/97/82/224099782.db2.gz XMNPOCVCNKWNHP-CMPLNLGQSA-N 0 0 342.342 1.953 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 ZINC000171233451 533070906 /nfs/dbraw/zinc/07/09/06/533070906.db2.gz LHRYAUVLPKVYAT-HUUCEWRRSA-N 0 0 342.399 1.312 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000097597225 219038247 /nfs/dbraw/zinc/03/82/47/219038247.db2.gz MXPVJQCJWBYCNT-JKSUJKDBSA-N 0 0 348.443 1.963 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccnc1SC(F)F ZINC000112649268 220364463 /nfs/dbraw/zinc/36/44/63/220364463.db2.gz BTJKHSVARXZJOK-MRVPVSSYSA-N 0 0 325.344 1.733 10 0 EDAERN Cc1ccc(-c2nc(CC(=O)N[C@H]3CCc4ncnn4C3)cs2)o1 ZINC000112662472 220367725 /nfs/dbraw/zinc/36/77/25/220367725.db2.gz POFHLZDIFQKSBZ-NSHDSACASA-N 0 0 343.412 1.977 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)CNC(=O)OC(C)(C)C)C2 ZINC000112669568 220369316 /nfs/dbraw/zinc/36/93/16/220369316.db2.gz DKKKJRCBEJPMRJ-UHFFFAOYSA-N 0 0 336.436 1.953 10 0 EDAERN Cc1ccccc1OCCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112749147 220396730 /nfs/dbraw/zinc/39/67/30/220396730.db2.gz MCWJGUHLZKWVBS-CQSZACIVSA-N 0 0 329.404 1.670 10 0 EDAERN COc1cc(C)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1C ZINC000113298710 220517232 /nfs/dbraw/zinc/51/72/32/220517232.db2.gz QOYMOJFDJAEQHO-GFCCVEGCSA-N 0 0 336.417 1.197 10 0 EDAERN O=C1Nc2cc(S(=O)(=O)N3CCCC3)ccc2N2CCCC[C@@H]12 ZINC000021020060 296399719 /nfs/dbraw/zinc/39/97/19/296399719.db2.gz CREGPHHHBMBPHG-HNNXBMFYSA-N 0 0 335.429 1.782 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3cnns3)CC2)cn1 ZINC000113860467 220600326 /nfs/dbraw/zinc/60/03/26/220600326.db2.gz RBRIFQKAEUKOGY-UHFFFAOYSA-N 0 0 334.449 1.448 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000153835625 224165193 /nfs/dbraw/zinc/16/51/93/224165193.db2.gz PFOBBQGSBITTQU-MWLCHTKSSA-N 0 0 330.841 1.174 10 0 EDAERN O=C(Nc1ccc(-c2ncco2)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000153895120 224173333 /nfs/dbraw/zinc/17/33/33/224173333.db2.gz PZJXJRSWAWLULH-HIFRSBDPSA-N 0 0 343.383 1.947 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000114867693 220771182 /nfs/dbraw/zinc/77/11/82/220771182.db2.gz FGKHEHFCZKADIZ-LBPRGKRZSA-N 0 0 328.372 1.357 10 0 EDAERN CN(CC1CCCC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115350197 220833823 /nfs/dbraw/zinc/83/38/23/220833823.db2.gz KOBLEIPWNOXNNX-DOTOQJQBSA-N 0 0 332.448 1.978 10 0 EDAERN Cc1noc(CCCC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000116782259 220989083 /nfs/dbraw/zinc/98/90/83/220989083.db2.gz RHTUDRKKYNFVTB-HNNXBMFYSA-N 0 0 346.435 1.848 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccccc2)C[C@@H]1CC ZINC000116899243 221008212 /nfs/dbraw/zinc/00/82/12/221008212.db2.gz HUTDFBLRSVUUMH-KRWDZBQOSA-N 0 0 340.489 1.949 10 0 EDAERN COCCN1CCN(C(=O)CCc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000117288432 221045092 /nfs/dbraw/zinc/04/50/92/221045092.db2.gz WGMXPBPZKXAZJH-HNNXBMFYSA-N 0 0 348.443 1.585 10 0 EDAERN COCCN1CCN(C(=O)c2cccnc2OCC(C)C)C[C@H]1C ZINC000117288583 221045832 /nfs/dbraw/zinc/04/58/32/221045832.db2.gz GWNJRNZJTQNBIL-OAHLLOKOSA-N 0 0 335.448 1.909 10 0 EDAERN COCCN1CCN(C(=O)NCc2cc(F)ccc2F)C[C@H]1C ZINC000117492611 221072471 /nfs/dbraw/zinc/07/24/71/221072471.db2.gz LIKCZZJIDNOOCT-GFCCVEGCSA-N 0 0 327.375 1.827 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C)CCN1CCOC ZINC000117526531 221074014 /nfs/dbraw/zinc/07/40/14/221074014.db2.gz GVBQRDYUBSVADV-INIZCTEOSA-N 0 0 347.459 1.811 10 0 EDAERN COC(=O)c1ccc(F)c(S(=O)(=O)NCCn2cc(C)cn2)c1 ZINC000117927645 221101274 /nfs/dbraw/zinc/10/12/74/221101274.db2.gz NYMCNZUBMSCOIM-UHFFFAOYSA-N 0 0 341.364 1.096 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccccc2CN2CCOCC2)c1 ZINC000118014276 221106138 /nfs/dbraw/zinc/10/61/38/221106138.db2.gz GJIFRVHPIAMIDR-UHFFFAOYSA-N 0 0 343.431 1.845 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccccc2OCCC(N)=O)c1 ZINC000118013928 221106971 /nfs/dbraw/zinc/10/69/71/221106971.db2.gz JLWSFBCRJAMBCD-UHFFFAOYSA-N 0 0 331.376 1.267 10 0 EDAERN Cc1cnn(CCNC(=O)NCCCN2CCc3ccccc32)c1 ZINC000118059640 221110875 /nfs/dbraw/zinc/11/08/75/221110875.db2.gz IFJQQBDLCBUKOY-UHFFFAOYSA-N 0 0 327.432 1.944 10 0 EDAERN Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115851 221122135 /nfs/dbraw/zinc/12/21/35/221122135.db2.gz VYRXYAFKAKBIAR-AWEZNQCLSA-N 0 0 333.432 1.504 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)Nc2cccc(S(N)(=O)=O)c2)cn1 ZINC000118545283 221155811 /nfs/dbraw/zinc/15/58/11/221155811.db2.gz HYHFQSSCSUAULP-CQSZACIVSA-N 0 0 349.416 1.437 10 0 EDAERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c(O)c1 ZINC000118760455 221177292 /nfs/dbraw/zinc/17/72/92/221177292.db2.gz VBTIQHHGIONMMR-DYVFJYSZSA-N 0 0 342.399 1.982 10 0 EDAERN C[C@H](CCNC(=O)c1ccc(Br)cc1N)[S@](C)=O ZINC000119213966 221268737 /nfs/dbraw/zinc/26/87/37/221268737.db2.gz WAPFBKOMFYFLRM-NTCNTBNZSA-N 0 0 333.251 1.918 10 0 EDAERN COCCN1CCN(C(=O)NCC2(CCOC)CCC2)C[C@H]1C ZINC000119494278 221333477 /nfs/dbraw/zinc/33/34/77/221333477.db2.gz IJURJAWWKVPPKV-OAHLLOKOSA-N 0 0 327.469 1.555 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCOC2(CCOCC2)C1)C(C)C ZINC000119609373 221359033 /nfs/dbraw/zinc/35/90/33/221359033.db2.gz DDYSXEKRUAOZFS-INIZCTEOSA-N 0 0 340.464 1.581 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1cnc(C)s1 ZINC000155269519 224387577 /nfs/dbraw/zinc/38/75/77/224387577.db2.gz YMZVDLMJEPVATG-BTDICHCPSA-N 0 0 333.417 1.854 10 0 EDAERN Cn1cc(C(=O)N[C@@H]2CN(Cc3nccs3)[C@H]3CCCO[C@@H]23)cn1 ZINC000248134847 257663816 /nfs/dbraw/zinc/66/38/16/257663816.db2.gz OCQOLARSEPPWKZ-IPYPFGDCSA-N 0 0 347.444 1.038 10 0 EDAERN Cc1nnc(N2CC[C@@H]3O[C@@H](C(=O)Nc4cnccn4)CC[C@@H]32)s1 ZINC000248015249 257669530 /nfs/dbraw/zinc/66/95/30/257669530.db2.gz KITXSJXFIAEQRT-SDDRHHMPSA-N 0 0 346.416 1.402 10 0 EDAERN COc1ncccc1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174996209 533248324 /nfs/dbraw/zinc/24/83/24/533248324.db2.gz PNYFRWODCUIXNI-ZDUSSCGKSA-N 0 0 343.387 1.058 10 0 EDAERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(N)cc(Cl)c2)C1 ZINC000165545676 533409724 /nfs/dbraw/zinc/40/97/24/533409724.db2.gz CCAOKCQRLYJBHS-GFCCVEGCSA-N 0 0 331.825 1.076 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(Br)ccc1N)[C@H]1CCOC1 ZINC000165896096 533479728 /nfs/dbraw/zinc/47/97/28/533479728.db2.gz RNPHNWCOIAHNGE-BDAKNGLRSA-N 0 0 349.250 1.735 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cccc(F)c1C(N)=S)[C@@H]1CCOC1 ZINC000166235934 533485160 /nfs/dbraw/zinc/48/51/60/533485160.db2.gz IJDPCBUORZPCCM-RKDXNWHRSA-N 0 0 332.422 1.163 10 0 EDAERN Cc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1S(C)(=O)=O ZINC000177615322 533598206 /nfs/dbraw/zinc/59/82/06/533598206.db2.gz QPBJSAXQTILQJJ-LBPRGKRZSA-N 0 0 334.401 1.255 10 0 EDAERN COc1cc(C)ccc1CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000155746947 533659736 /nfs/dbraw/zinc/65/97/36/533659736.db2.gz KCRPXTOWJPJQRS-MRXNPFEDSA-N 0 0 344.415 1.811 10 0 EDAERN C[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc2c1OCOC2 ZINC000172632119 288407057 /nfs/dbraw/zinc/40/70/57/288407057.db2.gz UFYNDIINPMWPQX-SNVBAGLBSA-N 0 0 331.821 1.825 10 0 EDAERN COc1ccc(-n2ncc3c2nc(C)nc3N2CCOCC2)cc1 ZINC000035988508 132390742 /nfs/dbraw/zinc/39/07/42/132390742.db2.gz ACGYRAIPCDTVGQ-UHFFFAOYSA-N 0 0 325.372 1.969 10 0 EDAERN O=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)CO1)c1ccncc1 ZINC000041418245 132410674 /nfs/dbraw/zinc/41/06/74/132410674.db2.gz GUMKRZLPRFAZHE-HNNXBMFYSA-N 0 0 345.786 1.897 10 0 EDAERN O=S(=O)(NC1CCCC1)N1CCN(Cc2cccs2)CC1 ZINC000329853068 140771938 /nfs/dbraw/zinc/77/19/38/140771938.db2.gz RVYBDMIQANAUPY-UHFFFAOYSA-N 0 0 329.491 1.643 10 0 EDAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000329908826 140780142 /nfs/dbraw/zinc/78/01/42/140780142.db2.gz UOHXDZJVUWMXBA-KSSFIOAISA-N 0 0 333.432 1.747 10 0 EDAERN Cc1ccnc2nc(C(=O)N3CCC[C@@H](Cc4nccn4C)C3)nn21 ZINC000330128089 140804420 /nfs/dbraw/zinc/80/44/20/140804420.db2.gz NJIDNFMHBJWCSH-ZDUSSCGKSA-N 0 0 339.403 1.261 10 0 EDAERN Cc1nc2n(n1)CCN(C(=O)[C@@H]1CCCN1C(=O)C1CCCC1)C2 ZINC000333452935 141319481 /nfs/dbraw/zinc/31/94/81/141319481.db2.gz OADXMNRKTQMXDU-AWEZNQCLSA-N 0 0 331.420 1.110 10 0 EDAERN CN1C(=O)NCC12CCN(C(=O)[C@@H]1C[C@@]1(C)c1ccccc1)CC2 ZINC000333511308 141329393 /nfs/dbraw/zinc/32/93/93/141329393.db2.gz UJOPCRNCYDCCPX-YJBOKZPZSA-N 0 0 327.428 1.980 10 0 EDAERN C[C@@H](CC(=O)Nc1cccc2c1CCNC2=O)N1CCCCC1=O ZINC000333999828 141424294 /nfs/dbraw/zinc/42/42/94/141424294.db2.gz QRQFMNLPMJDEOD-LBPRGKRZSA-N 0 0 329.400 1.702 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176098318 286293464 /nfs/dbraw/zinc/29/34/64/286293464.db2.gz RTNZSPLVCFYLAW-LLVKDONJSA-N 0 0 329.360 1.185 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N2CCOC(C)(C)C2)C12CCOCC2 ZINC000185983145 286352191 /nfs/dbraw/zinc/35/21/91/286352191.db2.gz DUKGYYWBPSQBRZ-UONOGXRCSA-N 0 0 326.437 1.781 10 0 EDAERN CCc1noc([C@]2(O)CCN(C(=O)c3cc(C(C)C)n(C)n3)C2)n1 ZINC000375732808 157643926 /nfs/dbraw/zinc/64/39/26/157643926.db2.gz QSHDICZROSXKBZ-INIZCTEOSA-N 0 0 333.392 1.223 10 0 EDAERN O=C([C@H]1CCCN1CC(F)(F)F)N1CCC2(CC1)NC(=O)NC2=O ZINC000329650976 161617358 /nfs/dbraw/zinc/61/73/58/161617358.db2.gz KEHFVJMBVOXMKE-SECBINFHSA-N 0 0 348.325 1.258 10 0 EDAERN O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CC(O)(C2CC2)C1 ZINC000330097420 161624462 /nfs/dbraw/zinc/62/44/62/161624462.db2.gz YLVGKJNMOFAMJZ-AWEZNQCLSA-N 0 0 334.803 1.676 10 0 EDAERN Cc1noc(CCNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000064345740 287239966 /nfs/dbraw/zinc/23/99/66/287239966.db2.gz HLQTXWCWWDDNDL-LBPRGKRZSA-N 0 0 338.408 1.684 10 0 EDAERN CCOc1ccccc1CCNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000069314330 287251470 /nfs/dbraw/zinc/25/14/70/287251470.db2.gz ALYLHQWIGYBLDJ-INIZCTEOSA-N 0 0 333.432 1.938 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000081580228 287314204 /nfs/dbraw/zinc/31/42/04/287314204.db2.gz DMHVDJKMFYNBFA-ZDUSSCGKSA-N 0 0 328.372 1.552 10 0 EDAERN Cc1cc(S(=O)(=O)NCC2CC(O)C2)sc1Br ZINC000094541314 287335931 /nfs/dbraw/zinc/33/59/31/287335931.db2.gz NQHOYDDGPVFPCF-UHFFFAOYSA-N 0 0 340.264 1.868 10 0 EDAERN Cc1ccn(-c2ccccc2CNC(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000119622743 287354523 /nfs/dbraw/zinc/35/45/23/287354523.db2.gz GVRGDOHSRKSLAU-INIZCTEOSA-N 0 0 343.431 1.311 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3c[nH]c4ncccc34)CCO2)c1 ZINC000120175687 287359121 /nfs/dbraw/zinc/35/91/21/287359121.db2.gz QMHNKUWMCGQYRU-OAHLLOKOSA-N 0 0 339.399 1.538 10 0 EDAERN CSCC[C@@H](NCc1nnnn1C(C)C)c1nnc2ccccn21 ZINC000119974392 287357698 /nfs/dbraw/zinc/35/76/98/287357698.db2.gz JLURTKJIAGRQJI-GFCCVEGCSA-N 0 0 346.464 1.881 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2sccc2OC)C[C@@H]1C ZINC000120910261 287365822 /nfs/dbraw/zinc/36/58/22/287365822.db2.gz ZGAJTZDWHGOPAI-LBPRGKRZSA-N 0 0 348.490 1.488 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164045905 226039663 /nfs/dbraw/zinc/03/96/63/226039663.db2.gz RQCZNKUNCTZFIJ-AAEUAGOBSA-N 0 0 341.198 1.750 10 0 EDAERN NCc1ncn(-c2ncc(Br)cc2Br)n1 ZINC000164064808 226041159 /nfs/dbraw/zinc/04/11/59/226041159.db2.gz FNDPJOLQHNQTSA-UHFFFAOYSA-N 0 0 332.987 1.646 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N2CCn3cnnc3C2)c1Cl ZINC000165965891 226141921 /nfs/dbraw/zinc/14/19/21/226141921.db2.gz IBEWXGNRCAWEKI-UHFFFAOYSA-N 0 0 348.215 1.372 10 0 EDAERN Cc1ccc(/C=C/C(=O)N2CCO[C@H](CO)C2)c(Br)c1 ZINC000167546467 226194469 /nfs/dbraw/zinc/19/44/69/226194469.db2.gz NSPITQLNDZNLIS-IHVVCDCBSA-N 0 0 340.217 1.990 10 0 EDAERN NN[C@@H](Cc1ccc(I)cc1)c1ncccn1 ZINC000167608137 226194822 /nfs/dbraw/zinc/19/48/22/226194822.db2.gz IYNCRAFOOWWZRU-NSHDSACASA-N 0 0 340.168 1.828 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(Br)cc1N ZINC000167959605 226204636 /nfs/dbraw/zinc/20/46/36/226204636.db2.gz CCJCAZXQPAPTEO-SCZZXKLOSA-N 0 0 329.194 1.253 10 0 EDAERN COCCN(CCO)c1cccc(Br)c1C(N)=S ZINC000168798436 226222810 /nfs/dbraw/zinc/22/28/10/226222810.db2.gz JNSNTHRZGLTFDP-UHFFFAOYSA-N 0 0 333.251 1.528 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000171449213 227086408 /nfs/dbraw/zinc/08/64/08/227086408.db2.gz RPJJPQUCJBBIPC-NSHDSACASA-N 0 0 342.237 1.775 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1ccsc1)CC2 ZINC000120524135 221602494 /nfs/dbraw/zinc/60/24/94/221602494.db2.gz UECQABHLLMTUPN-RYUDHWBXSA-N 0 0 335.433 1.250 10 0 EDAERN Cc1cnn(-c2ccc(NC(=O)C(=O)N3CCC[C@@H]3CO)cc2F)c1 ZINC000121169337 221776710 /nfs/dbraw/zinc/77/67/10/221776710.db2.gz FGRBLLGFFGBORW-CYBMUJFWSA-N 0 0 346.362 1.242 10 0 EDAERN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CCC[C@@H]3CO)c2)n1 ZINC000121202639 221785515 /nfs/dbraw/zinc/78/55/15/221785515.db2.gz OVJISWSTQXXTBY-MRXNPFEDSA-N 0 0 342.399 1.411 10 0 EDAERN COc1ccccc1S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121731827 221917319 /nfs/dbraw/zinc/91/73/19/221917319.db2.gz HMVPEDYSGZJBPI-LLVKDONJSA-N 0 0 336.417 1.663 10 0 EDAERN CC(=O)Nc1nc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000123269509 222246262 /nfs/dbraw/zinc/24/62/62/222246262.db2.gz OSIKGPRKSOJYEP-GFCCVEGCSA-N 0 0 332.385 1.790 10 0 EDAERN CN(C)c1nc2ccc(NC(=O)NC[C@]3(O)CCSC3)cc2o1 ZINC000125456034 222565918 /nfs/dbraw/zinc/56/59/18/222565918.db2.gz GBPMBLYJAUSUDM-OAHLLOKOSA-N 0 0 336.417 1.883 10 0 EDAERN CCn1c(C)nnc1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000172049597 227441964 /nfs/dbraw/zinc/44/19/64/227441964.db2.gz GDFLVFADZAPNHQ-UHFFFAOYSA-N 0 0 334.855 1.973 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000172128944 227483199 /nfs/dbraw/zinc/48/31/99/227483199.db2.gz BVXUQXSRRSYVNG-INIZCTEOSA-N 0 0 340.427 1.978 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc2cccnc21 ZINC000172205415 227538332 /nfs/dbraw/zinc/53/83/32/227538332.db2.gz UFQAUBFXNUEZFQ-LBPRGKRZSA-N 0 0 329.385 1.120 10 0 EDAERN Cc1ccccc1N1C(=O)CN(C(=O)c2cnn3cccnc23)C[C@H]1C ZINC000011787089 292630901 /nfs/dbraw/zinc/63/09/01/292630901.db2.gz BQVXQZZACIUAAQ-CQSZACIVSA-N 0 0 349.394 1.915 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)C[C@H]1C ZINC000174327115 533685691 /nfs/dbraw/zinc/68/56/91/533685691.db2.gz FEFAEIYBLUIBBW-NXEZZACHSA-N 0 0 334.247 1.859 10 0 EDAERN CCCCOC[C@@H](O)Cn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000193368956 272991759 /nfs/dbraw/zinc/99/17/59/272991759.db2.gz QXNRZIAQYXAAIB-HNNXBMFYSA-N 0 0 342.399 1.760 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000193375914 272991901 /nfs/dbraw/zinc/99/19/01/272991901.db2.gz OIACDKSEQGDFRU-IBGZPJMESA-N 0 0 348.487 1.859 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1ccc(Cl)s1 ZINC000086446930 267422641 /nfs/dbraw/zinc/42/26/41/267422641.db2.gz LDFHMIYKGCJIKI-QMMMGPOBSA-N 0 0 339.804 1.916 10 0 EDAERN Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](N4CCOCC4)C3)cc2)c1 ZINC000172760381 267529598 /nfs/dbraw/zinc/52/95/98/267529598.db2.gz WJCGMBDKOOKTAQ-GOSISDBHSA-N 0 0 340.427 1.727 10 0 EDAERN COc1ccc(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000172761159 267529705 /nfs/dbraw/zinc/52/97/05/267529705.db2.gz PLACOZPKNBJQEA-OAHLLOKOSA-N 0 0 336.407 1.700 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000180265911 267635982 /nfs/dbraw/zinc/63/59/82/267635982.db2.gz KGHZJPCYFRYWHA-MRXNPFEDSA-N 0 0 327.384 1.373 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000195332236 267897600 /nfs/dbraw/zinc/89/76/00/267897600.db2.gz GVLJNEQXVDHUTK-OLZOCXBDSA-N 0 0 335.404 1.257 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1F ZINC000187144702 272948819 /nfs/dbraw/zinc/94/88/19/272948819.db2.gz DREYPHYZKCKYCL-NSHDSACASA-N 0 0 343.424 1.386 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CC[C@H](O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000245507430 287712227 /nfs/dbraw/zinc/71/22/27/287712227.db2.gz IBJLHZIABAKOSS-MRVWCRGKSA-N 0 0 340.445 1.754 10 0 EDAERN CCCC(O)(CCC)CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000119071961 276224757 /nfs/dbraw/zinc/22/47/57/276224757.db2.gz XGELHKHEFYMEGB-HZPDHXFCSA-N 0 0 326.481 1.887 10 0 EDAERN CS(=O)(=O)N1CCC(C(=O)N2CCCc3c(N)cccc32)CC1 ZINC000237374788 278108527 /nfs/dbraw/zinc/10/85/27/278108527.db2.gz LWJRIRFMHJSHMH-UHFFFAOYSA-N 0 0 337.445 1.220 10 0 EDAERN CC1(C)C[C@@H](NC(=O)CN2CCCS2(=O)=O)c2ccccc2O1 ZINC000121479306 278361669 /nfs/dbraw/zinc/36/16/69/278361669.db2.gz FGDSDGBWMYQBNQ-CYBMUJFWSA-N 0 0 338.429 1.441 10 0 EDAERN CC(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245556725 279172869 /nfs/dbraw/zinc/17/28/69/279172869.db2.gz ANTGVCIUDKDXAU-VYDXJSESSA-N 0 0 336.407 1.868 10 0 EDAERN CC(C)[C@@H]1N(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@]12CCCO2 ZINC000329459248 280042251 /nfs/dbraw/zinc/04/22/51/280042251.db2.gz OSPWGEXZXRVNAN-CWRNSKLLSA-N 0 0 329.462 1.617 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CCOc2ccccc21 ZINC000182935625 280303704 /nfs/dbraw/zinc/30/37/04/280303704.db2.gz NLVUVCUXDKAEJT-ZDUSSCGKSA-N 0 0 341.367 1.272 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)nc(C(F)(F)F)n1 ZINC000189471089 280362600 /nfs/dbraw/zinc/36/26/00/280362600.db2.gz UNRAMQGPYXALGC-QMMMGPOBSA-N 0 0 326.282 1.140 10 0 EDAERN CN(C)C(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000113894669 288975630 /nfs/dbraw/zinc/97/56/30/288975630.db2.gz SNBDDJSXPICNPV-OAHLLOKOSA-N 0 0 333.436 1.857 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccnc1N1CCCC1 ZINC000170702536 289017750 /nfs/dbraw/zinc/01/77/50/289017750.db2.gz IOUHAYBFDXLHHH-CQSZACIVSA-N 0 0 331.420 1.766 10 0 EDAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000245428575 289988781 /nfs/dbraw/zinc/98/87/81/289988781.db2.gz MPOKFJJBBBHIPY-AEGPPILISA-N 0 0 340.445 1.039 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H](C)c2c(F)cccc2F)C[C@H]1C ZINC000245805807 290102184 /nfs/dbraw/zinc/10/21/84/290102184.db2.gz PZTOROXJZQTJBJ-AGIUHOORSA-N 0 0 326.387 1.982 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1c(C)cccc1C ZINC000176017112 293499072 /nfs/dbraw/zinc/49/90/72/293499072.db2.gz WBHKEOMMLMDISR-ZDUSSCGKSA-N 0 0 327.388 1.793 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N2CCCC2)nc1 ZINC000081822811 293510569 /nfs/dbraw/zinc/51/05/69/293510569.db2.gz QJAHQFZBJJWWIC-AWEZNQCLSA-N 0 0 326.404 1.847 10 0 EDAERN CO[C@@](C)([C@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)C1CC1 ZINC000334135171 294099822 /nfs/dbraw/zinc/09/98/22/294099822.db2.gz XTJAMFBPACEDLB-KKBFJZEXSA-N 0 0 339.480 1.695 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000091783033 295118916 /nfs/dbraw/zinc/11/89/16/295118916.db2.gz IHGQTTFIHACYQX-NEPJUHHUSA-N 0 0 330.306 1.435 10 0 EDAERN C[C@H]1CN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000189499120 300179000 /nfs/dbraw/zinc/17/90/00/300179000.db2.gz UBSGWIAJFONYND-ZDEQEGDKSA-N 0 0 330.400 1.970 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)CC1CCOCC1 ZINC000173123889 302776743 /nfs/dbraw/zinc/77/67/43/302776743.db2.gz PMUNHSNRCAXXFN-OAHLLOKOSA-N 0 0 341.477 1.930 10 0 EDAERN Cn1nc(-c2ccccc2)c([C@H]2NC(=O)[C@@H]3COCCN32)c1Cl ZINC000093884705 303040245 /nfs/dbraw/zinc/04/02/45/303040245.db2.gz NWROWXSIFTZXMI-NHYWBVRUSA-N 0 0 332.791 1.570 10 0 EDAERN COc1cc(C[C@@H]([NH3+])C(=O)[O-])ccc1N(CCCl)CCCl ZINC000001844549 440854306 /nfs/dbraw/zinc/85/43/06/440854306.db2.gz PDUXIBFAWGEDRX-LLVKDONJSA-N 0 0 335.231 1.934 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCNC(=O)C1CC1 ZINC000043945339 440812069 /nfs/dbraw/zinc/81/20/69/440812069.db2.gz CBYGBSGFGRVRFL-BBRMVZONSA-N 0 0 345.443 1.474 10 0 EDAERN C[C@@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)N1CCOCC1 ZINC000046258797 441095892 /nfs/dbraw/zinc/09/58/92/441095892.db2.gz ZOEWGVIQCXMBSQ-STQMWFEESA-N 0 0 346.431 1.262 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccnc2)[C@H](C(=O)[O-])C1 ZINC000008698914 441097933 /nfs/dbraw/zinc/09/79/33/441097933.db2.gz BSLXXDJVYLOXKU-KGLIPLIRSA-N 0 0 335.404 1.881 10 0 EDAERN CC(C)C[C@H]1COCCN1C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000071044030 441136758 /nfs/dbraw/zinc/13/67/58/441136758.db2.gz HFZGWFMXRJNDNQ-KBPBESRZSA-N 0 0 344.411 1.945 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000105280813 441246455 /nfs/dbraw/zinc/24/64/55/441246455.db2.gz NNBZEPFAMIKPLK-HNNXBMFYSA-N 0 0 332.404 1.031 10 0 EDAERN OC1[C@H]2OC3(CCCCC3)O[C@H]2C(O)[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000018255913 441250721 /nfs/dbraw/zinc/25/07/21/441250721.db2.gz LJLFYCLESOMKAW-OYVHKFOJSA-N 0 0 340.416 1.611 10 0 in-vitro EDAERN CCCCc1nc(CN2CCN([C@H](C)c3nc(C)no3)CC2)no1 ZINC000105864799 441295429 /nfs/dbraw/zinc/29/54/29/441295429.db2.gz JCRWAUIOVLLMFU-GFCCVEGCSA-N 0 0 334.424 1.982 10 0 EDAERN Cc1cccc(NC(=O)CN2CCCN(c3cccnn3)CC2)c1 ZINC000105798391 441272405 /nfs/dbraw/zinc/27/24/05/441272405.db2.gz AJCOIDWTJWGQNT-UHFFFAOYSA-N 0 0 325.416 1.936 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(Cc3nc(-c4ccoc4)no3)CC2)n1 ZINC000105864943 441295745 /nfs/dbraw/zinc/29/57/45/441295745.db2.gz JTXWSNNUDKHCLF-LLVKDONJSA-N 0 0 344.375 1.900 10 0 EDAERN Cc1ccc(C(=O)NCCNC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000081494522 441277507 /nfs/dbraw/zinc/27/75/07/441277507.db2.gz XNACTWPSWVIZMS-HZPDHXFCSA-N 0 0 333.432 1.575 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)N(C(C)C)C(C)C)CC1 ZINC000105865667 441296412 /nfs/dbraw/zinc/29/64/12/441296412.db2.gz XQECSBMRYSRMKH-UHFFFAOYSA-N 0 0 349.523 1.800 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CC(=O)c3cccn3C)CC2)n1 ZINC000106138836 441326594 /nfs/dbraw/zinc/32/65/94/441326594.db2.gz JVWXGQKLCNNVRR-CYBMUJFWSA-N 0 0 331.420 1.532 10 0 EDAERN CCCCNC(=O)[C@@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000106153665 441327856 /nfs/dbraw/zinc/32/78/56/441327856.db2.gz CZEAKKYMKCIWMH-OAHLLOKOSA-N 0 0 349.479 1.611 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC000106393482 441337103 /nfs/dbraw/zinc/33/71/03/441337103.db2.gz AWUHKJUOSKQUBE-OAHLLOKOSA-N 0 0 333.407 1.765 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000106393263 441337328 /nfs/dbraw/zinc/33/73/28/441337328.db2.gz XVJOTPINARAEHD-RDJZCZTQSA-N 0 0 341.496 1.088 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 ZINC000106397996 441339925 /nfs/dbraw/zinc/33/99/25/441339925.db2.gz JKGUEIOWLMUHGL-HNNXBMFYSA-N 0 0 343.427 1.772 10 0 EDAERN COC(=O)c1occc1CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865784 441296856 /nfs/dbraw/zinc/29/68/56/441296856.db2.gz YVIMJWBIZGWVCW-UHFFFAOYSA-N 0 0 346.431 1.734 10 0 EDAERN O=C(CNC(=O)c1cccs1)N1CCCN(c2cccnn2)CC1 ZINC000105867911 441297698 /nfs/dbraw/zinc/29/76/98/441297698.db2.gz UJPQWIVAXZHLJH-UHFFFAOYSA-N 0 0 345.428 1.007 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F)C1CC1 ZINC000049087923 441346479 /nfs/dbraw/zinc/34/64/79/441346479.db2.gz CCXSLHQEIWXVEY-MRVPVSSYSA-N 0 0 328.365 1.082 10 0 EDAERN CC(C)CCNC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869654 441300718 /nfs/dbraw/zinc/30/07/18/441300718.db2.gz ORPZJABVDNTLMI-INIZCTEOSA-N 0 0 335.496 1.479 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3cccc(F)c3)CCO2)n1 ZINC000105893141 441309676 /nfs/dbraw/zinc/30/96/76/441309676.db2.gz PAUZYAYLVNBOKY-QGZVFWFLSA-N 0 0 346.406 1.979 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000081767714 441310541 /nfs/dbraw/zinc/31/05/41/441310541.db2.gz BDOKXVXOHMCLOR-WTTBNOFXSA-N 0 0 330.428 1.884 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000105894193 441311230 /nfs/dbraw/zinc/31/12/30/441311230.db2.gz GERFZKMXHHDJFW-GXTWGEPZSA-N 0 0 326.441 1.233 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)C[C@@H]1C ZINC000105913850 441314998 /nfs/dbraw/zinc/31/49/98/441314998.db2.gz XBNTYIGIFIAGBV-IRXDYDNUSA-N 0 0 345.487 1.612 10 0 EDAERN CCCc1noc(CCCC(=O)N[C@H]2CCCn3nc(C)nc32)n1 ZINC000081812831 441317899 /nfs/dbraw/zinc/31/78/99/441317899.db2.gz GEZQQSLCGIXRLQ-LBPRGKRZSA-N 0 0 332.408 1.896 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000025707124 441353832 /nfs/dbraw/zinc/35/38/32/441353832.db2.gz NLZYSIPQRJDTSF-ZDUSSCGKSA-N 0 0 339.436 1.357 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000107731481 441427715 /nfs/dbraw/zinc/42/77/15/441427715.db2.gz WDLLMBPDOKHBRC-GFCCVEGCSA-N 0 0 341.839 1.869 10 0 EDAERN C[C@@H](Cc1cccnc1)N1CCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000065408776 441428226 /nfs/dbraw/zinc/42/82/26/441428226.db2.gz CJYIEJIAYLQKNB-HNNXBMFYSA-N 0 0 339.443 1.961 10 0 EDAERN O=C(NCC1CC(O)C1)c1csc(I)c1 ZINC000086689078 441473646 /nfs/dbraw/zinc/47/36/46/441473646.db2.gz USAVXWHXVPJICJ-UHFFFAOYSA-N 0 0 337.182 1.853 10 0 EDAERN CSc1nc2ncnc(N3CCO[C@H](Cn4cccn4)C3)c2s1 ZINC000108949695 441482735 /nfs/dbraw/zinc/48/27/35/441482735.db2.gz DKOJAYSNSIYIJG-JTQLQIEISA-N 0 0 348.457 1.910 10 0 EDAERN COCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109088206 441487440 /nfs/dbraw/zinc/48/74/40/441487440.db2.gz SAUUJWCBRYWSPR-STQMWFEESA-N 0 0 338.354 1.386 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000087563166 441493569 /nfs/dbraw/zinc/49/35/69/441493569.db2.gz MGBDAENIVNALIG-CQSZACIVSA-N 0 0 341.415 1.673 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000088199876 441495313 /nfs/dbraw/zinc/49/53/13/441495313.db2.gz LVUHDZGXRMWWQA-BSEYFRJRSA-N 0 0 346.456 1.984 10 0 EDAERN CNC(=O)Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000031202943 441515859 /nfs/dbraw/zinc/51/58/59/441515859.db2.gz QQWWKTGMHXAZTM-LLVKDONJSA-N 0 0 329.356 1.325 10 0 EDAERN CO[C@H](CNC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111812801 441540637 /nfs/dbraw/zinc/54/06/37/441540637.db2.gz ZQHHVBLKEPNNGO-DLBZAZTESA-N 0 0 344.415 1.681 10 0 EDAERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000089906727 441593192 /nfs/dbraw/zinc/59/31/92/441593192.db2.gz OZYLTZPZUILJOQ-NEPJUHHUSA-N 0 0 337.424 1.706 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000076099100 441598424 /nfs/dbraw/zinc/59/84/24/441598424.db2.gz LYLQLXDGMBRMII-XCBNKYQSSA-N 0 0 332.328 1.146 10 0 EDAERN CC(C)[C@H](C)NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000055071758 441615324 /nfs/dbraw/zinc/61/53/24/441615324.db2.gz LDDAAPSERRYQLH-INIZCTEOSA-N 0 0 346.475 1.675 10 0 EDAERN CCN(C(=O)N[C@H]1CCCN(CC)C1)[C@@H](C)CS(=O)(=O)CC ZINC000113600838 441617844 /nfs/dbraw/zinc/61/78/44/441617844.db2.gz BMUVQWFDRFDSCG-KBPBESRZSA-N 0 0 333.498 1.325 10 0 EDAERN COc1ccc(CNC(=O)CSCc2nnnn2C(C)C)cc1 ZINC000040753424 441630055 /nfs/dbraw/zinc/63/00/55/441630055.db2.gz FKBTUUUUCNGZIV-UHFFFAOYSA-N 0 0 335.433 1.812 10 0 EDAERN C[C@@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000091091741 441660343 /nfs/dbraw/zinc/66/03/43/441660343.db2.gz RONYPOQXBMMSKR-WFASDCNBSA-N 0 0 326.824 1.600 10 0 EDAERN Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cc1 ZINC000115203466 441717569 /nfs/dbraw/zinc/71/75/69/441717569.db2.gz DIELWNYERORMCU-FUHWJXTLSA-N 0 0 340.427 1.954 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(OC(F)F)c1)[C@@H]1CCCO1 ZINC000041917463 441684163 /nfs/dbraw/zinc/68/41/63/441684163.db2.gz BTBGUSTYIXNIQW-CABZTGNLSA-N 0 0 328.315 1.910 10 0 EDAERN CCC[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)c1nnn[n-]1 ZINC000136710766 441717680 /nfs/dbraw/zinc/71/76/80/441717680.db2.gz MXSCHASQZLHMGJ-JQWIXIFHSA-N 0 0 331.380 1.367 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccccc3)n[nH]1)CC2 ZINC000114870286 441693844 /nfs/dbraw/zinc/69/38/44/441693844.db2.gz NRCZDEONABCQOK-CYBMUJFWSA-N 0 0 336.399 1.975 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091369618 441697929 /nfs/dbraw/zinc/69/79/29/441697929.db2.gz OPCOGQSJRDOXIO-BXUZGUMPSA-N 0 0 349.460 1.674 10 0 EDAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000173330334 441714396 /nfs/dbraw/zinc/71/43/96/441714396.db2.gz GMUMBEOGKOJNQK-CHWSQXEVSA-N 0 0 326.400 1.622 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C(C)=O)c[nH]2)ncn1 ZINC000173435115 441751159 /nfs/dbraw/zinc/75/11/59/441751159.db2.gz VYMWDHWZRYTLGW-CYBMUJFWSA-N 0 0 342.403 1.448 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)Cn2nnnc2C(C)C)C12CCCC2 ZINC000173461689 441757997 /nfs/dbraw/zinc/75/79/97/441757997.db2.gz LDCYBXLVJOONEJ-UONOGXRCSA-N 0 0 335.452 1.993 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3)C2)n1 ZINC000158333520 441725290 /nfs/dbraw/zinc/72/52/90/441725290.db2.gz KHNXGQKFDLHKFH-NSHDSACASA-N 0 0 347.444 1.784 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CSCCS1)CC2 ZINC000136871194 441730653 /nfs/dbraw/zinc/73/06/53/441730653.db2.gz CAIOWYRXADKIOB-WDEREUQCSA-N 0 0 326.491 1.681 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCOc3ccccc3F)CCO2)[nH]1 ZINC000173517435 441774535 /nfs/dbraw/zinc/77/45/35/441774535.db2.gz SEUAMNGVDQGIMK-AWEZNQCLSA-N 0 0 334.351 1.621 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cnc4onc(C)c4c3)CCO2)[nH]1 ZINC000173527229 441777834 /nfs/dbraw/zinc/77/78/34/441777834.db2.gz JNMHRODHXLDLRQ-LBPRGKRZSA-N 0 0 328.332 1.171 10 0 EDAERN CN(CC(=O)N1CCC[C@H]1c1ccco1)S(=O)(=O)c1cccnc1 ZINC000116040623 441791221 /nfs/dbraw/zinc/79/12/21/441791221.db2.gz ONTJYFQEPYFQCZ-AWEZNQCLSA-N 0 0 349.412 1.659 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3)CCO2)[nH]1 ZINC000173574676 441796735 /nfs/dbraw/zinc/79/67/35/441796735.db2.gz XKSZYDLHFFEMIP-TZMCWYRMSA-N 0 0 330.388 1.735 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3)CCO2)[nH]1 ZINC000173574698 441796749 /nfs/dbraw/zinc/79/67/49/441796749.db2.gz XKSZYDLHFFEMIP-GXTWGEPZSA-N 0 0 330.388 1.735 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3CC(c4ccccc4)=NO3)CCO2)[nH]1 ZINC000173600849 441802834 /nfs/dbraw/zinc/80/28/34/441802834.db2.gz YABYKTRMGUIDQV-CABCVRRESA-N 0 0 341.371 1.206 10 0 EDAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173624216 441807361 /nfs/dbraw/zinc/80/73/61/441807361.db2.gz URTHGIDOMOCPPT-NWDGAFQWSA-N 0 0 336.440 1.135 10 0 EDAERN COCCOCCSc1ccc(S(N)(=O)=O)cc1Cl ZINC000116884446 441857735 /nfs/dbraw/zinc/85/77/35/441857735.db2.gz CUKWZIUAGHRQLT-UHFFFAOYSA-N 0 0 325.839 1.743 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cnns1 ZINC000173921254 441861657 /nfs/dbraw/zinc/86/16/57/441861657.db2.gz UNVAZYAWNPXLRU-UWVGGRQHSA-N 0 0 326.422 1.961 10 0 EDAERN Cc1ccc(CN(C(=O)CN2CC[C@H](N3CCOCC3)C2)C2CC2)o1 ZINC000173931796 441863744 /nfs/dbraw/zinc/86/37/44/441863744.db2.gz YJAHVHJJJHVABC-KRWDZBQOSA-N 0 0 347.459 1.486 10 0 EDAERN C[C@@H](NC(=O)Cc1nc2ncccn2n1)c1cccc(-n2ccnc2)c1 ZINC000173940855 441865243 /nfs/dbraw/zinc/86/52/43/441865243.db2.gz RRRDNLXXWORXAT-CYBMUJFWSA-N 0 0 347.382 1.730 10 0 EDAERN C[C@@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)c1nnc2n1CCCC2 ZINC000122004603 441827542 /nfs/dbraw/zinc/82/75/42/441827542.db2.gz QYZZCSRAYQTCGR-SECBINFHSA-N 0 0 346.366 1.735 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cnc4ccccc4c3)C2)cn1 ZINC000116586831 441831753 /nfs/dbraw/zinc/83/17/53/441831753.db2.gz JJKMVADIUSIFIA-AWEZNQCLSA-N 0 0 349.394 1.923 10 0 EDAERN Cc1cccc(OCCNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173767037 441837986 /nfs/dbraw/zinc/83/79/86/441837986.db2.gz JACIPNUJDKJNKL-MRXNPFEDSA-N 0 0 333.432 1.490 10 0 EDAERN O=C(NCCOc1cccc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173776523 441839370 /nfs/dbraw/zinc/83/93/70/441839370.db2.gz SPQSMTHVKNJUMK-HNNXBMFYSA-N 0 0 337.395 1.321 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)C1 ZINC000116739826 441839752 /nfs/dbraw/zinc/83/97/52/441839752.db2.gz GIIPAROTUPBSPC-APWZRJJASA-N 0 0 345.443 1.128 10 0 EDAERN Cc1ccccc1OCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173789791 441841160 /nfs/dbraw/zinc/84/11/60/441841160.db2.gz BVEPZTBDPOMHIL-MRXNPFEDSA-N 0 0 333.432 1.490 10 0 EDAERN C[C@H](CNC(=O)NCc1cccc(N2CC=CC2)c1)N1CCOCC1 ZINC000173826099 441847413 /nfs/dbraw/zinc/84/74/13/441847413.db2.gz KQTUMJBVWOKBOJ-MRXNPFEDSA-N 0 0 344.459 1.583 10 0 EDAERN C[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1N1CCOCC1 ZINC000173836116 441848545 /nfs/dbraw/zinc/84/85/45/441848545.db2.gz LSXRIAUTNWKIAZ-KBXCAEBGSA-N 0 0 327.428 1.890 10 0 EDAERN O=C(CCOC[C@@H]1CCCO1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118671902 441901052 /nfs/dbraw/zinc/90/10/52/441901052.db2.gz ICRJVRNTLVOVTL-GJZGRUSLSA-N 0 0 334.420 1.147 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccccn2)ncn1 ZINC000174000156 441875793 /nfs/dbraw/zinc/87/57/93/441875793.db2.gz QJRSICJOQWSMKF-AWEZNQCLSA-N 0 0 341.419 1.382 10 0 EDAERN Cc1nc(C)c(CCC(=O)N[C@H]2CCOc3ccccc32)c(=O)[nH]1 ZINC000143903233 441876767 /nfs/dbraw/zinc/87/67/67/441876767.db2.gz OBCIGHDYONBCDL-HNNXBMFYSA-N 0 0 327.384 1.959 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CC2 ZINC000150711836 441933805 /nfs/dbraw/zinc/93/38/05/441933805.db2.gz FOVAGKXFNIJWHR-LBPRGKRZSA-N 0 0 335.452 1.385 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CCOC)ncn1 ZINC000174543422 441935952 /nfs/dbraw/zinc/93/59/52/441935952.db2.gz ZMVJDIXIAWNYDZ-CHWSQXEVSA-N 0 0 336.440 1.211 10 0 EDAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000150792890 441952152 /nfs/dbraw/zinc/95/21/52/441952152.db2.gz YPXSATOFHVYWFM-NHYWBVRUSA-N 0 0 337.395 1.618 10 0 EDAERN Cc1nnc2ccc(NCCCn3c4ccccc4nc(C)c3=O)nn12 ZINC000096005709 441978700 /nfs/dbraw/zinc/97/87/00/441978700.db2.gz VAHCTWCXOIGSQF-UHFFFAOYSA-N 0 0 349.398 1.953 10 0 EDAERN CC(=O)N1CC[C@H](NC(=O)N2CCC(Oc3ccccc3)CC2)C1 ZINC000150863550 441964340 /nfs/dbraw/zinc/96/43/40/441964340.db2.gz RDCVMTVOFJZSCU-HNNXBMFYSA-N 0 0 331.416 1.860 10 0 EDAERN O=C(CCS(=O)(=O)C1CCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119861230 441964366 /nfs/dbraw/zinc/96/43/66/441964366.db2.gz VERHAWWYOHBLSL-PBHICJAKSA-N 0 0 343.489 1.888 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000151083904 442002424 /nfs/dbraw/zinc/00/24/24/442002424.db2.gz URKXDOZRFJGULX-NSHDSACASA-N 0 0 330.392 1.025 10 0 EDAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125130750 441988376 /nfs/dbraw/zinc/98/83/76/441988376.db2.gz SKJAZHZSCWOGRA-UONOGXRCSA-N 0 0 335.452 1.608 10 0 EDAERN CCC[C@@H](C(=O)NCCNC(=O)c1ccccc1Cl)[NH+](C)C ZINC000161559160 442011755 /nfs/dbraw/zinc/01/17/55/442011755.db2.gz KBJARJHTSOJTES-AWEZNQCLSA-N 0 0 325.840 1.916 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000151597408 442090220 /nfs/dbraw/zinc/09/02/20/442090220.db2.gz FVXIEYRKBWKQRO-CYBMUJFWSA-N 0 0 348.838 1.818 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCC3(c4ccccc4)CC3)CCO2)[nH]1 ZINC000175337965 442044898 /nfs/dbraw/zinc/04/48/98/442044898.db2.gz AUESLHDBQSXFNI-HNNXBMFYSA-N 0 0 341.415 1.928 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)NCCS(C)(=O)=O)C12CCCC2 ZINC000151411318 442056945 /nfs/dbraw/zinc/05/69/45/442056945.db2.gz RKFMNRXOLXJIII-STQMWFEESA-N 0 0 332.466 1.410 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)N[C@@H]3COc4ccccc43)CCO2)[nH]1 ZINC000175465503 442068171 /nfs/dbraw/zinc/06/81/71/442068171.db2.gz CIMFVCNALYSDRO-OCCSQVGLSA-N 0 0 329.360 1.330 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)COc3ccccc3O)CC2)n1 ZINC000151625305 442095595 /nfs/dbraw/zinc/09/55/95/442095595.db2.gz OBEFXMKKCWXELU-LBPRGKRZSA-N 0 0 346.387 1.368 10 0 EDAERN CCC1(CNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000120461799 442076979 /nfs/dbraw/zinc/07/69/79/442076979.db2.gz MHNKGSDFBVUMIS-LLVKDONJSA-N 0 0 335.429 1.420 10 0 EDAERN c1nnc2ccc(N3CCN(CC4=Cc5ccccc5OC4)CC3)nn12 ZINC000120489076 442080728 /nfs/dbraw/zinc/08/07/28/442080728.db2.gz BKXSULQHXUWXBD-UHFFFAOYSA-N 0 0 348.410 1.722 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000151552528 442082807 /nfs/dbraw/zinc/08/28/07/442082807.db2.gz QWFSZJUDSFQCDK-CMPLNLGQSA-N 0 0 331.376 1.203 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000162393263 442089111 /nfs/dbraw/zinc/08/91/11/442089111.db2.gz UNVLGKARWYVIAK-LLVKDONJSA-N 0 0 333.310 1.083 10 0 EDAERN Cc1cc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)n[nH]1 ZINC000126421497 442110258 /nfs/dbraw/zinc/11/02/58/442110258.db2.gz DXLNNCDIOWKMIC-UKRRQHHQSA-N 0 0 348.472 1.900 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)o1 ZINC000151746881 442115224 /nfs/dbraw/zinc/11/52/24/442115224.db2.gz BOLMLNWFAVRBIY-LBPRGKRZSA-N 0 0 343.449 1.714 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2nccn2C(F)F)C[C@@H]1N1CCOCC1 ZINC000175745128 442115426 /nfs/dbraw/zinc/11/54/26/442115426.db2.gz KFRBIMQKOVXOOF-NEPJUHHUSA-N 0 0 343.378 1.140 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2C(=O)N(CC)CC)C1 ZINC000151771439 442117839 /nfs/dbraw/zinc/11/78/39/442117839.db2.gz LFCHASPPYYKNRP-UONOGXRCSA-N 0 0 338.452 1.040 10 0 EDAERN O=C(c1cc(F)cc2nc[nH]c21)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126642328 442130305 /nfs/dbraw/zinc/13/03/05/442130305.db2.gz YXTSCHIYDYCPTL-LLVKDONJSA-N 0 0 328.351 1.846 10 0 EDAERN CC(C)OCCCNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000151884108 442135714 /nfs/dbraw/zinc/13/57/14/442135714.db2.gz YBCOUCQMEAJUEQ-HNNXBMFYSA-N 0 0 335.452 1.902 10 0 EDAERN C[C@H]1CN(C(=O)NCCCOCC2CC2)C[C@H]1N1CCOCC1 ZINC000175637959 442097743 /nfs/dbraw/zinc/09/77/43/442097743.db2.gz RADIDESIOMHHMJ-GOEBONIOSA-N 0 0 325.453 1.165 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2cccnc2N(C)C)C[C@H]1N1CCOCC1 ZINC000175667849 442102575 /nfs/dbraw/zinc/10/25/75/442102575.db2.gz LYLJCDATLOHMDD-GDBMZVCRSA-N 0 0 347.463 1.010 10 0 EDAERN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000126363096 442104424 /nfs/dbraw/zinc/10/44/24/442104424.db2.gz GLGLATCOPZUFHB-QGZVFWFLSA-N 0 0 344.459 1.770 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)nc2)C1 ZINC000163484834 442168871 /nfs/dbraw/zinc/16/88/71/442168871.db2.gz PEUNMSMTATWWLS-CYBMUJFWSA-N 0 0 345.378 1.782 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccn(-c3c(F)cccc3F)n2)C1 ZINC000176279088 442204640 /nfs/dbraw/zinc/20/46/40/442204640.db2.gz BZBRXNYYKQAIEL-NSHDSACASA-N 0 0 336.342 1.211 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)CSCc2cccnc2)n1 ZINC000121168393 442186303 /nfs/dbraw/zinc/18/63/03/442186303.db2.gz LCJHYTKKCFKOMW-CYBMUJFWSA-N 0 0 334.401 1.606 10 0 EDAERN C[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000097203802 442186704 /nfs/dbraw/zinc/18/67/04/442186704.db2.gz OQZANPLSUVAIPJ-JSGCOSHPSA-N 0 0 332.425 1.586 10 0 EDAERN O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121177842 442187775 /nfs/dbraw/zinc/18/77/75/442187775.db2.gz AJHYEXIRXGMOKB-SNVBAGLBSA-N 0 0 330.356 1.923 10 0 EDAERN Cc1cnn(CCNC(=O)c2cnc3c(C)cc(F)cc3c2O)c1 ZINC000152295836 442194722 /nfs/dbraw/zinc/19/47/22/442194722.db2.gz VNFSYSYWFDJEEA-UHFFFAOYSA-N 0 0 328.347 1.911 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000121291388 442200101 /nfs/dbraw/zinc/20/01/01/442200101.db2.gz BDXCMLMXSIFFQT-CYBMUJFWSA-N 0 0 329.360 1.787 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000120912602 442151082 /nfs/dbraw/zinc/15/10/82/442151082.db2.gz FJHGUJWCRIWPQX-CHWSQXEVSA-N 0 0 338.354 1.386 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1Cl ZINC000120913764 442152108 /nfs/dbraw/zinc/15/21/08/442152108.db2.gz WSWWGTWGNSEFBN-NSHDSACASA-N 0 0 325.796 1.328 10 0 EDAERN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000152065293 442160356 /nfs/dbraw/zinc/16/03/56/442160356.db2.gz XEBKXRUJMLXPQD-BPLDGKMQSA-N 0 0 329.404 1.924 10 0 EDAERN Cc1cc(NC(=O)N[C@@H]2CCCn3ncnc32)ccc1C(=O)N(C)C ZINC000176014852 442160823 /nfs/dbraw/zinc/16/08/23/442160823.db2.gz MDAHKFSESKJZEX-CQSZACIVSA-N 0 0 342.403 1.945 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)N[C@@H]2CCCn3ncnc32)ccc1F ZINC000176036972 442164357 /nfs/dbraw/zinc/16/43/57/442164357.db2.gz RBVCWIDVRDLPIB-CYBMUJFWSA-N 0 0 346.366 1.776 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1c[nH]c(C(N)=O)c1)C(C)C ZINC000176740811 442251553 /nfs/dbraw/zinc/25/15/53/442251553.db2.gz NDZQTAUYXIZKIY-HNNXBMFYSA-N 0 0 342.399 1.815 10 0 EDAERN Cc1cc(C)nc(SCC(=O)N2CCC[C@H](Cn3cncn3)C2)n1 ZINC000127683629 442219778 /nfs/dbraw/zinc/21/97/78/442219778.db2.gz IPJMCERCKFUOHQ-AWEZNQCLSA-N 0 0 346.460 1.716 10 0 EDAERN C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1ccc(Cl)cc1 ZINC000176435602 442222101 /nfs/dbraw/zinc/22/21/01/442222101.db2.gz ZVELIHOJSNNXOR-DOMZBBRYSA-N 0 0 341.839 1.737 10 0 EDAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[C@H](Oc2cccnc2)C1 ZINC000152522088 442222115 /nfs/dbraw/zinc/22/21/15/442222115.db2.gz BMHLDHJAJMFEKA-ZFWWWQNUSA-N 0 0 334.420 1.405 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000127752328 442223560 /nfs/dbraw/zinc/22/35/60/442223560.db2.gz GVVNFWFDHLBKNR-LLVKDONJSA-N 0 0 347.341 1.044 10 0 EDAERN CN1CC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1=O ZINC000168841323 442225444 /nfs/dbraw/zinc/22/54/44/442225444.db2.gz INRHVMOTSSFGKZ-LLVKDONJSA-N 0 0 343.305 1.170 10 0 EDAERN CCC1CCC(NC(=O)NCCCN(CC)S(C)(=O)=O)CC1 ZINC000127816035 442226918 /nfs/dbraw/zinc/22/69/18/442226918.db2.gz FXRGRGPBVBBCCX-UHFFFAOYSA-N 0 0 333.498 1.926 10 0 EDAERN COc1ccccc1N1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000170240993 442229758 /nfs/dbraw/zinc/22/97/58/442229758.db2.gz NRELOMZGBYPNOE-ZDUSSCGKSA-N 0 0 341.415 1.267 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCOCC2)s1 ZINC000176562140 442234370 /nfs/dbraw/zinc/23/43/70/442234370.db2.gz XPFDRJYIZOAODI-AWEZNQCLSA-N 0 0 347.440 1.960 10 0 EDAERN CS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2COc3ccccc32)o1 ZINC000176591295 442238289 /nfs/dbraw/zinc/23/82/89/442238289.db2.gz XPHCKXPMNCTHCG-GFCCVEGCSA-N 0 0 336.369 1.192 10 0 EDAERN CS(=O)(=O)CCOCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000153196344 442266512 /nfs/dbraw/zinc/26/65/12/442266512.db2.gz ZQYJUZBVEOEJJN-VXGBXAGGSA-N 0 0 347.383 1.246 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000170812544 442267884 /nfs/dbraw/zinc/26/78/84/442267884.db2.gz RNWCMEGHTFUJNC-KCXAZCMYSA-N 0 0 331.416 1.803 10 0 EDAERN C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000153292121 442273761 /nfs/dbraw/zinc/27/37/61/442273761.db2.gz ZRWCIGCVLVJKMS-KDOFPFPSSA-N 0 0 332.400 1.209 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1C ZINC000176996419 442282447 /nfs/dbraw/zinc/28/24/47/442282447.db2.gz RLUSMWTXEJBJBA-DOTOQJQBSA-N 0 0 338.473 1.645 10 0 EDAERN Cc1cccc(NC(=O)CN(C)C(=O)NC[C@H]2CN(C)CCO2)c1C ZINC000170924879 442290535 /nfs/dbraw/zinc/29/05/35/442290535.db2.gz ZFVSJNARCKOHSL-HNNXBMFYSA-N 0 0 348.447 1.214 10 0 EDAERN CCCC[C@H](COC)NC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000128921207 442295117 /nfs/dbraw/zinc/29/51/17/442295117.db2.gz CATFRWOVNRZEON-KGLIPLIRSA-N 0 0 334.482 1.512 10 0 EDAERN CC[C@@H](COC)NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000129020998 442298529 /nfs/dbraw/zinc/29/85/29/442298529.db2.gz UXLSGVYBLWGOGT-HNNXBMFYSA-N 0 0 337.468 1.289 10 0 EDAERN CCc1oc(C(=O)OC)cc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000177139634 442303734 /nfs/dbraw/zinc/30/37/34/442303734.db2.gz GPXMFMGWPPTJAD-AWEZNQCLSA-N 0 0 333.388 1.726 10 0 EDAERN COc1cc(CCNC(=O)N[C@H]2CCCn3ncnc32)ccc1C ZINC000177318292 442328158 /nfs/dbraw/zinc/32/81/58/442328158.db2.gz FHGLENJYZXYHNI-AWEZNQCLSA-N 0 0 329.404 1.972 10 0 EDAERN COc1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1OC1CCCC1 ZINC000171255325 442334722 /nfs/dbraw/zinc/33/47/22/442334722.db2.gz VMDNLAXHUGHAIJ-CYBMUJFWSA-N 0 0 332.400 1.769 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000177161040 442308044 /nfs/dbraw/zinc/30/80/44/442308044.db2.gz KGVKVVMNTRWQEV-CQSZACIVSA-N 0 0 339.399 1.526 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3O)c2)no1 ZINC000177192956 442311931 /nfs/dbraw/zinc/31/19/31/442311931.db2.gz JGGWHZKCXXRGBX-KGLIPLIRSA-N 0 0 344.371 1.403 10 0 EDAERN CSCc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000177625687 442364382 /nfs/dbraw/zinc/36/43/82/442364382.db2.gz MCXPEOHZUQSLPP-CYBMUJFWSA-N 0 0 345.428 1.211 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1COc2ccccc2C1 ZINC000177699073 442372630 /nfs/dbraw/zinc/37/26/30/442372630.db2.gz BGHHZJQYZGAWAZ-ZIAGYGMSSA-N 0 0 342.399 1.627 10 0 EDAERN C[C@H]1CN(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CCS1 ZINC000131740954 442379245 /nfs/dbraw/zinc/37/92/45/442379245.db2.gz UKVSCKKJHYWNOE-UWVGGRQHSA-N 0 0 339.383 1.687 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@](C)(O)c1ccsc1)CC2 ZINC000155180032 442380504 /nfs/dbraw/zinc/38/05/04/442380504.db2.gz WYFAWPDVZJEOOT-BLLLJJGKSA-N 0 0 349.460 1.424 10 0 EDAERN COCCCOc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000177804260 442386730 /nfs/dbraw/zinc/38/67/30/442386730.db2.gz WFVZKUIUEUSMQN-MRXNPFEDSA-N 0 0 344.415 1.998 10 0 EDAERN CSC[C@@H](CCO)NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155360587 442390999 /nfs/dbraw/zinc/39/09/99/442390999.db2.gz NAZHSKCGWGUXDW-NWDGAFQWSA-N 0 0 341.481 1.130 10 0 EDAERN O=C(CCCCN1CCOCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178024803 442402342 /nfs/dbraw/zinc/40/23/42/442402342.db2.gz NHGLMGXQAHWPTB-QGZVFWFLSA-N 0 0 333.432 1.564 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccccc1O)CC2 ZINC000172038360 442402497 /nfs/dbraw/zinc/40/24/97/442402497.db2.gz SMFZINOTAIOOPP-ZDUSSCGKSA-N 0 0 329.404 1.403 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)CCO2)[nH]1 ZINC000154795243 442357053 /nfs/dbraw/zinc/35/70/53/442357053.db2.gz KCMQEZHTYQWVTO-XQQFMLRXSA-N 0 0 334.420 1.518 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171567745 442358041 /nfs/dbraw/zinc/35/80/41/442358041.db2.gz JZKVVNMJXGXQLH-CQSZACIVSA-N 0 0 349.479 1.871 10 0 EDAERN C[C@]1(C(=O)N[C@@H]2CCCn3ncnc32)Cc2ccccc2C(=O)O1 ZINC000177601549 442360947 /nfs/dbraw/zinc/36/09/47/442360947.db2.gz BQZGROATIDKAQY-CXAGYDPISA-N 0 0 326.356 1.401 10 0 EDAERN Cn1nccc1C1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000177610918 442362243 /nfs/dbraw/zinc/36/22/43/442362243.db2.gz BDTKIBNDMCBQSC-CYBMUJFWSA-N 0 0 331.420 1.072 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C[C@H](O)COCC(C)C)CC2)n1 ZINC000171624659 442363747 /nfs/dbraw/zinc/36/37/47/442363747.db2.gz RISUUUNQJQFUHT-GJZGRUSLSA-N 0 0 340.468 1.344 10 0 EDAERN COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OCCO ZINC000155581710 442409973 /nfs/dbraw/zinc/40/99/73/442409973.db2.gz MWJWKAQIDSBUCI-ZFWWWQNUSA-N 0 0 336.432 1.525 10 0 EDAERN CSC[C@H](C)NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000133577454 442424943 /nfs/dbraw/zinc/42/49/43/442424943.db2.gz PGVWUWMSFBBYSH-LBPRGKRZSA-N 0 0 339.509 1.616 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)C(C)C ZINC000178689471 442457266 /nfs/dbraw/zinc/45/72/66/442457266.db2.gz DWYMJYMMCPFVBK-OAHLLOKOSA-N 0 0 347.459 1.849 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cnn(Cc4ccccc4)c3)CCO2)[nH]1 ZINC000179434347 442457338 /nfs/dbraw/zinc/45/73/38/442457338.db2.gz XELDZBSHUODGDU-QGZVFWFLSA-N 0 0 338.415 1.931 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](OC)c1ccccc1)CC2 ZINC000172306638 442441236 /nfs/dbraw/zinc/44/12/36/442441236.db2.gz WXBZPNAPRHRDIK-LSDHHAIUSA-N 0 0 343.431 1.842 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1c(C)nn(-c2ccccc2)c1C)C(C)C ZINC000178586954 442445555 /nfs/dbraw/zinc/44/55/55/442445555.db2.gz GHYUKEQNYQJKNS-MRXNPFEDSA-N 0 0 328.416 1.990 10 0 EDAERN CCc1ccc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)c(O)c1 ZINC000191524452 442458672 /nfs/dbraw/zinc/45/86/72/442458672.db2.gz MKQOENXJTSHBQT-UHFFFAOYSA-N 0 0 344.415 1.994 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)C3(NC(C)=O)CCCCC3)CCO2)cn1 ZINC000191731675 442500737 /nfs/dbraw/zinc/50/07/37/442500737.db2.gz FNYDUJKABQFZGU-INIZCTEOSA-N 0 0 348.447 1.642 10 0 EDAERN O=C(c1cncc(O)c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172623373 442508354 /nfs/dbraw/zinc/50/83/54/442508354.db2.gz WNDTZGKSVRRPPI-UHFFFAOYSA-N 0 0 343.387 1.396 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@H](CC(N)=O)C2CCCCC2)CC1 ZINC000179518368 442470244 /nfs/dbraw/zinc/47/02/44/442470244.db2.gz DSAVEZGAPYMRHK-YMAMQOFZSA-N 0 0 338.448 1.906 10 0 EDAERN COC(=O)N1CC(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)C1 ZINC000178750869 442474489 /nfs/dbraw/zinc/47/44/89/442474489.db2.gz UEZKUMAKWDFCPR-CYBMUJFWSA-N 0 0 335.408 1.334 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2[nH]cnc2c1 ZINC000134395336 442478023 /nfs/dbraw/zinc/47/80/23/442478023.db2.gz NZQPWBMZALBWTH-GFCCVEGCSA-N 0 0 326.360 1.566 10 0 EDAERN CSCCCCCNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000186170215 442478037 /nfs/dbraw/zinc/47/80/37/442478037.db2.gz VXCPVNIKAISFPS-GFCCVEGCSA-N 0 0 327.454 1.729 10 0 EDAERN Cc1ccc(Cl)c(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000186185042 442480619 /nfs/dbraw/zinc/48/06/19/442480619.db2.gz NPNVLWKLSASICA-UHFFFAOYSA-N 0 0 342.848 1.938 10 0 EDAERN COCCOc1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172759684 442536086 /nfs/dbraw/zinc/53/60/86/442536086.db2.gz XTUBCAGMKRRLGD-INIZCTEOSA-N 0 0 334.416 1.259 10 0 EDAERN CCc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)[nH]c(C)c1C(C)=O ZINC000172763851 442537859 /nfs/dbraw/zinc/53/78/59/442537859.db2.gz POIRPDRLHCCEDO-AWEZNQCLSA-N 0 0 333.432 1.635 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccccc2-n2ccnc2)C1)C1CC1 ZINC000186514636 442548862 /nfs/dbraw/zinc/54/88/62/442548862.db2.gz ZOGLDQUMBBDNDC-UHFFFAOYSA-N 0 0 339.399 1.292 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191994806 442559115 /nfs/dbraw/zinc/55/91/15/442559115.db2.gz BDXDZDYQECISIL-UONOGXRCSA-N 0 0 327.469 1.551 10 0 EDAERN CCOC[C@H](NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)C(C)C ZINC000191787303 442510950 /nfs/dbraw/zinc/51/09/50/442510950.db2.gz UXWUQWPDNTYQGJ-HOTGVXAUSA-N 0 0 338.452 1.663 10 0 EDAERN COC(=O)C1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1 ZINC000179913020 442519238 /nfs/dbraw/zinc/51/92/38/442519238.db2.gz HZFRIQGJRCZCRC-UHFFFAOYSA-N 0 0 329.360 1.785 10 0 EDAERN O=C(CCC1CCCC1)NCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172743365 442530153 /nfs/dbraw/zinc/53/01/53/442530153.db2.gz QYBIGHOWXAGFMU-INIZCTEOSA-N 0 0 337.464 1.006 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1C ZINC000172748606 442532503 /nfs/dbraw/zinc/53/25/03/442532503.db2.gz WUYPMCKMJNUGCE-AWEZNQCLSA-N 0 0 349.431 1.355 10 0 EDAERN Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)nn1-c1ccccc1 ZINC000172753249 442533505 /nfs/dbraw/zinc/53/35/05/442533505.db2.gz NGNPGLIJTJSHEE-KRWDZBQOSA-N 0 0 340.427 1.727 10 0 EDAERN O=Cc1ccc(OCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000135284887 442575543 /nfs/dbraw/zinc/57/55/43/442575543.db2.gz PWQRAYWRQULMRA-OAHLLOKOSA-N 0 0 340.383 1.453 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc4c(c3)N(C)CC4)CCO2)[nH]1 ZINC000180299950 442576169 /nfs/dbraw/zinc/57/61/69/442576169.db2.gz BQSDHZOBNAVOOF-HNNXBMFYSA-N 0 0 342.403 1.711 10 0 EDAERN O=C(/C=C/c1cncc(F)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135302067 442577133 /nfs/dbraw/zinc/57/71/33/442577133.db2.gz WVTOGGXDXMOIHQ-LLYBFZRZSA-N 0 0 327.363 1.809 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cccc(NC(=O)NC2CC2)c1)C(C)C ZINC000179125829 442578487 /nfs/dbraw/zinc/57/84/87/442578487.db2.gz WPUNYJBKCWPAAL-CQSZACIVSA-N 0 0 332.404 1.471 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)C[C@H](C(N)=O)O1 ZINC000157429730 442583533 /nfs/dbraw/zinc/58/35/33/442583533.db2.gz BLVVKJCMANXAPP-MWLCHTKSSA-N 0 0 335.385 1.047 10 0 EDAERN CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3cccc(Cl)n3)CC2)C1 ZINC000179267108 442609337 /nfs/dbraw/zinc/60/93/37/442609337.db2.gz GUXDUISGDNJNQF-HNNXBMFYSA-N 0 0 338.883 1.966 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000173105950 442605006 /nfs/dbraw/zinc/60/50/06/442605006.db2.gz NNMCGKOFZXXEBQ-WFASDCNBSA-N 0 0 340.514 1.994 10 0 EDAERN CC(C)Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000180475116 442607451 /nfs/dbraw/zinc/60/74/51/442607451.db2.gz OHVXOQRCUKQHEG-INIZCTEOSA-N 0 0 333.432 1.532 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1F ZINC000180247912 442566536 /nfs/dbraw/zinc/56/65/36/442566536.db2.gz VBBFBLPKXRDMNK-BBRMVZONSA-N 0 0 349.406 1.252 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000172921681 442567680 /nfs/dbraw/zinc/56/76/80/442567680.db2.gz RGUGKAVLCDVTJQ-MRXNPFEDSA-N 0 0 331.416 1.024 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1F ZINC000180259083 442568609 /nfs/dbraw/zinc/56/86/09/442568609.db2.gz ZKMWXMORPQUYSO-CJNGLKHVSA-N 0 0 349.406 1.252 10 0 EDAERN COc1ncncc1NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000135924952 442641824 /nfs/dbraw/zinc/64/18/24/442641824.db2.gz RPAWDOIMESNYIY-JTQLQIEISA-N 0 0 331.380 1.337 10 0 EDAERN C[C@@H](CCC(=O)N[C@H]1CCc2ncnn2C1)NC(=O)OC(C)(C)C ZINC000192391346 442644074 /nfs/dbraw/zinc/64/40/74/442644074.db2.gz ZWPSCDJECGDNGO-RYUDHWBXSA-N 0 0 337.424 1.403 10 0 EDAERN C[C@@H]1CN(C(=O)CCC(=O)OC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000192393899 442645163 /nfs/dbraw/zinc/64/51/63/442645163.db2.gz VRGBUFZBMVJEQP-KGLIPLIRSA-N 0 0 326.437 1.287 10 0 EDAERN Cc1c(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cccc1N(C)C ZINC000180674765 442646550 /nfs/dbraw/zinc/64/65/50/442646550.db2.gz JLCZGISCNXWHSF-OAHLLOKOSA-N 0 0 344.459 1.696 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](COCC(C)C)c1ccco1 ZINC000157850240 442620530 /nfs/dbraw/zinc/62/05/30/442620530.db2.gz ZUNPXWGHJRBMIP-UONOGXRCSA-N 0 0 337.420 1.913 10 0 EDAERN CCCC[C@@H](N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OC ZINC000179335966 442624324 /nfs/dbraw/zinc/62/43/24/442624324.db2.gz XFPMPOKNUOUYGG-UONOGXRCSA-N 0 0 336.436 1.545 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)[C@@H](C)C2 ZINC000180589138 442628649 /nfs/dbraw/zinc/62/86/49/442628649.db2.gz WKQLYYRXPOXQJM-FZMZJTMJSA-N 0 0 331.459 1.192 10 0 EDAERN O=C(CNC(=O)c1ccccc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135733328 442629074 /nfs/dbraw/zinc/62/90/74/442629074.db2.gz MJDIORLKTWQHNI-INIZCTEOSA-N 0 0 325.368 1.491 10 0 EDAERN c1cnn(C[C@@H]2CN(CCc3nc(-c4ccccc4)no3)CCO2)c1 ZINC000157986746 442634942 /nfs/dbraw/zinc/63/49/42/442634942.db2.gz BIZIEWSVEQAKNG-INIZCTEOSA-N 0 0 339.399 1.877 10 0 EDAERN CC[C@H](CSC)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000181137252 442681919 /nfs/dbraw/zinc/68/19/19/442681919.db2.gz GUOWFVHZFLWCIM-GHMZBOCLSA-N 0 0 327.454 1.700 10 0 EDAERN O=C(CCNC(=O)c1cccs1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181399507 442695004 /nfs/dbraw/zinc/69/50/04/442695004.db2.gz GWEQGDQBONDZSE-LLVKDONJSA-N 0 0 333.417 1.740 10 0 EDAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000188025488 442703685 /nfs/dbraw/zinc/70/36/85/442703685.db2.gz OGVUYPRETKOIQO-AWEZNQCLSA-N 0 0 328.372 1.103 10 0 EDAERN COc1ccc(CC(C)(C)NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000187195333 442659985 /nfs/dbraw/zinc/65/99/85/442659985.db2.gz VVNAQRHKCWZEFU-CQSZACIVSA-N 0 0 343.431 1.922 10 0 EDAERN C[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1 ZINC000180805459 442660837 /nfs/dbraw/zinc/66/08/37/442660837.db2.gz OROMONNDHDCWGE-SECBINFHSA-N 0 0 337.330 1.478 10 0 EDAERN Cc1cc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)ccc1F ZINC000136418213 442663169 /nfs/dbraw/zinc/66/31/69/442663169.db2.gz ABHOVWUHRXXGQF-UHFFFAOYSA-N 0 0 340.362 1.534 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2nc(C)c(C)s2)CC1 ZINC000181877770 442720039 /nfs/dbraw/zinc/72/00/39/442720039.db2.gz XSUIFQYERHATHW-ZDUSSCGKSA-N 0 0 326.466 1.358 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCCOC(C)C ZINC000181898028 442720901 /nfs/dbraw/zinc/72/09/01/442720901.db2.gz BGDFKKMKSYATKK-ZDUSSCGKSA-N 0 0 339.440 1.764 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000181937044 442722521 /nfs/dbraw/zinc/72/25/21/442722521.db2.gz PIEVJXHQDHGVGI-KBPBESRZSA-N 0 0 349.435 1.606 10 0 EDAERN CCC[C@@H](NC(=O)c1ccn(CCOC)n1)C(=O)OC(C)(C)C ZINC000188214655 442725310 /nfs/dbraw/zinc/72/53/10/442725310.db2.gz PQMZYAPNCWAROJ-CYBMUJFWSA-N 0 0 325.409 1.770 10 0 EDAERN CCOCCC1(CNC(=O)N2CCN(C[C@@H](O)CC)CC2)CC1 ZINC000182033122 442730259 /nfs/dbraw/zinc/73/02/59/442730259.db2.gz YZOSHMGOCUMQDR-HNNXBMFYSA-N 0 0 327.469 1.291 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000182035987 442730455 /nfs/dbraw/zinc/73/04/55/442730455.db2.gz GPPKGXIJAZCUCF-DOMZBBRYSA-N 0 0 338.452 1.493 10 0 EDAERN CC(C)CN1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1=O ZINC000188290533 442734320 /nfs/dbraw/zinc/73/43/20/442734320.db2.gz VGZQAPQNZYVAHS-CQSZACIVSA-N 0 0 346.431 1.523 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188302222 442735828 /nfs/dbraw/zinc/73/58/28/442735828.db2.gz ULHUMEDQYPVTEL-GFCCVEGCSA-N 0 0 338.367 1.653 10 0 EDAERN Cc1ccccc1-n1nccc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000182299969 442754685 /nfs/dbraw/zinc/75/46/85/442754685.db2.gz UOIMRVQRNGXASK-AWEZNQCLSA-N 0 0 329.404 1.633 10 0 EDAERN CO[C@H](C)c1nc(C)c(C(=O)N2CC(NC(=O)C3CCC3)C2)s1 ZINC000188482701 442755079 /nfs/dbraw/zinc/75/50/79/442755079.db2.gz QHPVGTUFZNCLJX-SNVBAGLBSA-N 0 0 337.445 1.900 10 0 EDAERN Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)nnn1-c1ccc(C)cc1 ZINC000188101731 442711715 /nfs/dbraw/zinc/71/17/15/442711715.db2.gz OFUVNUDCNFEAMN-ZDUSSCGKSA-N 0 0 327.388 1.235 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)C1(C(N)=O)CCCC1 ZINC000182408125 442764838 /nfs/dbraw/zinc/76/48/38/442764838.db2.gz KMEUAQSAYRURKL-LBPRGKRZSA-N 0 0 332.404 1.453 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCCOc1ccc(F)cc1 ZINC000188577915 442765282 /nfs/dbraw/zinc/76/52/82/442765282.db2.gz VPVVOQSFWBCYMQ-GDBMZVCRSA-N 0 0 338.379 1.083 10 0 EDAERN O=C(c1cnn(CCC(F)(F)F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000182474821 442772671 /nfs/dbraw/zinc/77/26/71/442772671.db2.gz URVMAAPHGMRUCG-ZDUSSCGKSA-N 0 0 346.353 1.382 10 0 EDAERN Cc1csc([C@H]2CN(C(=O)Nc3ccc(=O)n(C)c3)CCO2)n1 ZINC000193750461 442778304 /nfs/dbraw/zinc/77/83/04/442778304.db2.gz GKEOUECGNMMACD-GFCCVEGCSA-N 0 0 334.401 1.756 10 0 EDAERN Cc1ccc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C ZINC000246456184 442783125 /nfs/dbraw/zinc/78/31/25/442783125.db2.gz NBKKXRIWPHVHEM-AEFFLSMTSA-N 0 0 331.460 1.894 10 0 EDAERN O=C(NC1CN(C(=O)N[C@H]2CCOc3ccccc32)C1)C1CCC1 ZINC000188772620 442810392 /nfs/dbraw/zinc/81/03/92/442810392.db2.gz JJAZDLWCPHPBFE-HNNXBMFYSA-N 0 0 329.400 1.820 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1C ZINC000247095023 442834249 /nfs/dbraw/zinc/83/42/49/442834249.db2.gz QAIIQJFTRQLCTA-KGLIPLIRSA-N 0 0 333.432 1.155 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000188842245 442825637 /nfs/dbraw/zinc/82/56/37/442825637.db2.gz QAOZIDSJNUYYFK-SNVBAGLBSA-N 0 0 330.306 1.865 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cn1 ZINC000182808097 442828864 /nfs/dbraw/zinc/82/88/64/442828864.db2.gz ZRZRZESEHSUDHH-UHFFFAOYSA-N 0 0 341.415 1.770 10 0 EDAERN CN(CC1(c2ccccc2)CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000188856541 442829149 /nfs/dbraw/zinc/82/91/49/442829149.db2.gz JNJFXEZCVUGOCZ-HNNXBMFYSA-N 0 0 325.416 1.966 10 0 EDAERN Cc1csc([C@@H]2CN(C(=O)NCCNC(=O)C(C)C)CCO2)n1 ZINC000194020051 442830080 /nfs/dbraw/zinc/83/00/80/442830080.db2.gz SAGAPILBXPOYIZ-LBPRGKRZSA-N 0 0 340.449 1.307 10 0 EDAERN CCn1cc([C@@H]2CN(S(=O)(=O)CCc3ccccc3)CCO2)cn1 ZINC000189221414 442899975 /nfs/dbraw/zinc/89/99/75/442899975.db2.gz MMJZHNHYBSTZGD-KRWDZBQOSA-N 0 0 349.456 1.849 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000183107121 442881191 /nfs/dbraw/zinc/88/11/91/442881191.db2.gz OUMULIOEXAPTGV-QWHCGFSZSA-N 0 0 325.434 1.594 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1Cc1cn(Cc2cccnc2)nn1 ZINC000183113127 442881841 /nfs/dbraw/zinc/88/18/41/442881841.db2.gz XZDQPIJLIKLSNJ-GOSISDBHSA-N 0 0 337.431 1.891 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H](C)C2 ZINC000183168271 442893840 /nfs/dbraw/zinc/89/38/40/442893840.db2.gz SDLFZALZBMSZIR-XHDPSFHLSA-N 0 0 329.400 1.675 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000248460583 442894013 /nfs/dbraw/zinc/89/40/13/442894013.db2.gz STUCLYJLXPALEX-VQCIFBRSSA-N 0 0 332.466 1.563 10 0 EDAERN C[C@H](C[S@@](C)=O)NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000248459333 442894373 /nfs/dbraw/zinc/89/43/73/442894373.db2.gz RLEWDMPXNIQIQP-HIMNYSJASA-N 0 0 332.466 1.517 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000189189915 442894998 /nfs/dbraw/zinc/89/49/98/442894998.db2.gz KQFULLLENFHGGS-GHMZBOCLSA-N 0 0 336.358 1.624 10 0 EDAERN CCCn1cc(C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000183208711 442903289 /nfs/dbraw/zinc/90/32/89/442903289.db2.gz LANLRTCUMOWXJC-CQSZACIVSA-N 0 0 343.435 1.524 10 0 EDAERN Cc1nc2cc(F)cc(C(=O)N3CCCNC(=O)[C@H]3C)c2nc1C ZINC000189252528 442904782 /nfs/dbraw/zinc/90/47/82/442904782.db2.gz LAWYGYGDVFDQMQ-LLVKDONJSA-N 0 0 330.363 1.736 10 0 EDAERN CCc1nnc(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)n1C ZINC000181913276 318492256 /nfs/dbraw/zinc/49/22/56/318492256.db2.gz QZEJHSBPMAYZFB-NSHDSACASA-N 0 0 337.449 1.136 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccnc(OCc3ccccc3)c2)C1 ZINC000194603573 442921799 /nfs/dbraw/zinc/92/17/99/442921799.db2.gz SDTSHINRZNDXLW-QGZVFWFLSA-N 0 0 341.411 1.721 10 0 EDAERN COc1cc(C(=O)NC[C@H]2CN(C)CCO2)ccc1OC(F)F ZINC000194639318 442928942 /nfs/dbraw/zinc/92/89/42/442928942.db2.gz QRGNKCRFCNPZCR-NSHDSACASA-N 0 0 330.331 1.357 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cccc(F)c2F)n1 ZINC000183745161 442958233 /nfs/dbraw/zinc/95/82/33/442958233.db2.gz YAMVRYHAUSLDCI-SNVBAGLBSA-N 0 0 345.327 1.418 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000183744134 442958583 /nfs/dbraw/zinc/95/85/83/442958583.db2.gz SWPBUJDRSYZAQL-AWEZNQCLSA-N 0 0 337.401 1.757 10 0 EDAERN CC[C@@H]1C[C@@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)CCO1 ZINC000183756126 442960323 /nfs/dbraw/zinc/96/03/23/442960323.db2.gz IYEJQCVMTQIWPV-LSDHHAIUSA-N 0 0 336.436 1.618 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)COc2ccc(F)cc2F)n1 ZINC000183764351 442961511 /nfs/dbraw/zinc/96/15/11/442961511.db2.gz NZMZURGLFIWFRA-GFCCVEGCSA-N 0 0 339.298 1.635 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000249538310 442984212 /nfs/dbraw/zinc/98/42/12/442984212.db2.gz DCXSHZKEJXVGLG-FZKQIMNGSA-N 0 0 332.400 1.935 10 0 EDAERN Cc1[nH]nc2ncc(C(=O)N[C@H]3CCc4nnc(C(C)C)n4C3)cc12 ZINC000195287257 443005725 /nfs/dbraw/zinc/00/57/25/443005725.db2.gz BKTSBZCQAINZOM-LBPRGKRZSA-N 0 0 339.403 1.726 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000190341101 443087911 /nfs/dbraw/zinc/08/79/11/443087911.db2.gz QAUBCSQAMACPDN-CYBMUJFWSA-N 0 0 329.356 1.281 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2COc3ccccc3C2)CC1 ZINC000184875522 443089959 /nfs/dbraw/zinc/08/99/59/443089959.db2.gz UTNCFDUCGXWFEW-CVEARBPZSA-N 0 0 333.432 1.088 10 0 EDAERN Cc1cc(CNS(=O)(=O)c2ccccc2)nc(N2CCOCC2)n1 ZINC000224230478 443098052 /nfs/dbraw/zinc/09/80/52/443098052.db2.gz PWVSWLGCNAJVMD-UHFFFAOYSA-N 0 0 348.428 1.100 10 0 EDAERN Cc1nc(C)c(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)s1 ZINC000224254658 443098070 /nfs/dbraw/zinc/09/80/70/443098070.db2.gz NKZNWRLYMPRWAW-UHFFFAOYSA-N 0 0 332.433 1.554 10 0 EDAERN O=c1nc(CN2C[C@@H](O)C[C@@H]2CO)[nH]c2scc(-c3ccco3)c21 ZINC000184715742 443064344 /nfs/dbraw/zinc/06/43/44/443064344.db2.gz DNOLLUBKRCTLRH-ZJUUUORDSA-N 0 0 347.396 1.172 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000184731925 443069120 /nfs/dbraw/zinc/06/91/20/443069120.db2.gz KSBOGNXKKNDRDL-HNNXBMFYSA-N 0 0 345.424 1.797 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)[C@H](C)OC)ncn1 ZINC000190227523 443073948 /nfs/dbraw/zinc/07/39/48/443073948.db2.gz RHYUJSDFMFPPKO-RWMBFGLXSA-N 0 0 336.440 1.210 10 0 EDAERN C[C@@H](CNC(=O)NCCCNc1cccc(F)c1)N1CCOCC1 ZINC000184829646 443083038 /nfs/dbraw/zinc/08/30/38/443083038.db2.gz WUVGTBXKQMSIRB-AWEZNQCLSA-N 0 0 338.427 1.648 10 0 EDAERN Cn1ccc2cccc(NC(=O)C(=O)N[C@@H]3CCCn4ncnc43)c21 ZINC000190557951 443136891 /nfs/dbraw/zinc/13/68/91/443136891.db2.gz KKNVPHVQMSWMOI-CYBMUJFWSA-N 0 0 338.371 1.360 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC000190463580 443114003 /nfs/dbraw/zinc/11/40/03/443114003.db2.gz MBYJNZVCGZSRJU-KRWDZBQOSA-N 0 0 345.443 1.486 10 0 EDAERN COC(=O)c1ccc(CN2CCOC[C@@H]2CO)c(Br)c1 ZINC000226738482 443123272 /nfs/dbraw/zinc/12/32/72/443123272.db2.gz JKALOWHGFVTUKF-LBPRGKRZSA-N 0 0 344.205 1.429 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](OC(C)(C)C)c2ccccc2)C1 ZINC000185221976 443164915 /nfs/dbraw/zinc/16/49/15/443164915.db2.gz YEQYJXOHLPZOOJ-MRXNPFEDSA-N 0 0 334.416 1.516 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2c(F)cccc2Br)C1 ZINC000185237690 443166777 /nfs/dbraw/zinc/16/67/77/443166777.db2.gz SQOONVMZJKZHIK-UHFFFAOYSA-N 0 0 345.168 1.175 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 ZINC000185240471 443168176 /nfs/dbraw/zinc/16/81/76/443168176.db2.gz ALSQLMPERDNFFH-UHFFFAOYSA-N 0 0 336.436 1.349 10 0 EDAERN CCOC(=O)CCN(Cc1nnc(CC)n1C)Cc1cccnc1 ZINC000185242951 443168849 /nfs/dbraw/zinc/16/88/49/443168849.db2.gz XOYPAUPAINGSPF-UHFFFAOYSA-N 0 0 331.420 1.728 10 0 EDAERN COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190756559 443177032 /nfs/dbraw/zinc/17/70/32/443177032.db2.gz KDCFCKNDZOBOFM-CYBMUJFWSA-N 0 0 346.362 1.661 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000185304539 443179502 /nfs/dbraw/zinc/17/95/02/443179502.db2.gz IMQNWIFHPPINML-ZWKOTPCHSA-N 0 0 338.407 1.917 10 0 EDAERN COCc1c(C(=O)NC[C@@H]2CN(C)CCO2)cnn1-c1ccccc1 ZINC000185343850 443186271 /nfs/dbraw/zinc/18/62/71/443186271.db2.gz GBCHNSAKIRUOJN-OAHLLOKOSA-N 0 0 344.415 1.079 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCC1(CO)CCCC1 ZINC000185556899 443219167 /nfs/dbraw/zinc/21/91/67/443219167.db2.gz DETDZXRWPCWMAQ-GFCCVEGCSA-N 0 0 337.424 1.111 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000190990659 443220466 /nfs/dbraw/zinc/22/04/66/443220466.db2.gz KYSOHWHSUWRMFQ-SNVBAGLBSA-N 0 0 348.371 1.230 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000191019363 443226009 /nfs/dbraw/zinc/22/60/09/443226009.db2.gz XQDWAPIOVRSJAK-UHFFFAOYSA-N 0 0 336.436 1.678 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2cnccn2)C12CCOCC2 ZINC000185665560 443235756 /nfs/dbraw/zinc/23/57/56/443235756.db2.gz MOIFLSXFKFGTHO-HUUCEWRRSA-N 0 0 334.420 1.592 10 0 EDAERN C[C@H](NC(=O)c1ccc2nnn(C)c2c1)c1nnc2n1CCCC2 ZINC000185520663 443213019 /nfs/dbraw/zinc/21/30/19/443213019.db2.gz WJYLKSDLPIBEPH-JTQLQIEISA-N 0 0 325.376 1.387 10 0 EDAERN Cc1ccc(C[C@@H](CO)NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000190972901 443217757 /nfs/dbraw/zinc/21/77/57/443217757.db2.gz XRMLUVQHWQMDPU-HIFRSBDPSA-N 0 0 330.384 1.426 10 0 EDAERN COc1cccc(Cl)c1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000190978345 443218498 /nfs/dbraw/zinc/21/84/98/443218498.db2.gz BSVOWZVVDJALNO-LBPRGKRZSA-N 0 0 341.839 1.869 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000185785861 443256549 /nfs/dbraw/zinc/25/65/49/443256549.db2.gz GTVUNUVZKXRIJH-SJKOYZFVSA-N 0 0 331.416 1.385 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000246076411 443265812 /nfs/dbraw/zinc/26/58/12/443265812.db2.gz DHUXOXULMPMGHE-ZRUHOGSISA-N 0 0 327.454 1.007 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CSCCS2)cn1 ZINC000275397404 443626710 /nfs/dbraw/zinc/62/67/10/443626710.db2.gz RUUWWAJIRCZBSW-YNEHKIRRSA-N 0 0 327.475 1.698 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)Cn2nc(C)cc2C)cn1 ZINC000275501206 443628907 /nfs/dbraw/zinc/62/89/07/443628907.db2.gz VWZHGVNALJOYBG-WMLDXEAASA-N 0 0 330.388 1.550 10 0 EDAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(O)cc(Br)c1 ZINC000529275513 320571732 /nfs/dbraw/zinc/57/17/32/320571732.db2.gz LZNPJSFCWFHAIL-CPCISQLKSA-N 0 0 327.178 1.552 10 0 EDAERN COCCn1cc(C[C@H]2NC(=O)N(CC3CCCCCC3)C2=O)nn1 ZINC000328608811 444391767 /nfs/dbraw/zinc/39/17/67/444391767.db2.gz BIHPIJLUCOTXAI-OAHLLOKOSA-N 0 0 349.435 1.562 10 0 EDAERN CCOc1ccc(C(=O)N2CCO[C@H](c3nncn3CC)C2)cn1 ZINC000328619821 444396784 /nfs/dbraw/zinc/39/67/84/444396784.db2.gz GGKWHMAOUFCFEK-ZDUSSCGKSA-N 0 0 331.376 1.305 10 0 EDAERN Cc1c(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)cnn1C(C)C ZINC000583618789 448448549 /nfs/dbraw/zinc/44/85/49/448448549.db2.gz LCZVQIASMTZRCK-KRWDZBQOSA-N 0 0 346.435 1.679 10 0 EDAERN Cc1nnc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1C1CC1 ZINC000583620136 448450963 /nfs/dbraw/zinc/45/09/63/448450963.db2.gz BZQMUBDFTQLNSQ-PBHICJAKSA-N 0 0 326.404 1.378 10 0 EDAERN Cn1cncc1[C@H]1[C@H](NC(=O)CC2(O)CCCCC2)CCC(=O)N1C ZINC000583620968 448451607 /nfs/dbraw/zinc/45/16/07/448451607.db2.gz UJPNWDRQEIGNEN-CXAGYDPISA-N 0 0 348.447 1.284 10 0 EDAERN C[C@@H](Cc1cccs1)NC(=O)N1CCO[C@H](c2nncn2C)C1 ZINC000583623934 448454352 /nfs/dbraw/zinc/45/43/52/448454352.db2.gz UUAIWLYEPSGNHZ-AAEUAGOBSA-N 0 0 335.433 1.591 10 0 EDAERN COc1ccc(CO)cc1S(=O)(=O)N1CCSC(C)(C)C1 ZINC000159293093 533713007 /nfs/dbraw/zinc/71/30/07/533713007.db2.gz JSZPECJDMIKOSY-UHFFFAOYSA-N 0 0 331.459 1.704 10 0 EDAERN COC1(c2cc(OCc3ccccc3)cc(NCCO)n2)COC1 ZINC000584602955 448583833 /nfs/dbraw/zinc/58/38/33/448583833.db2.gz HALIXLYQTWWQNQ-UHFFFAOYSA-N 0 0 330.384 1.937 10 0 EDAERN CS(=O)(=O)c1ccc(-c2cncc3ncc(C(N)=O)cc32)cc1 ZINC000584616045 448585515 /nfs/dbraw/zinc/58/55/15/448585515.db2.gz VWFABJNRLMJGAZ-UHFFFAOYSA-N 0 0 327.365 1.799 10 0 EDAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(O)cc(Br)c1 ZINC000529275518 448805053 /nfs/dbraw/zinc/80/50/53/448805053.db2.gz LZNPJSFCWFHAIL-WRWORJQWSA-N 0 0 327.178 1.552 10 0 EDAERN Cc1c([C@@H]2[C@@H](C(=O)N3CCCCCO3)CC(=O)N2C2CC2)cnn1C ZINC000613881642 450348573 /nfs/dbraw/zinc/34/85/73/450348573.db2.gz ZKTHUKBFOXXIAM-YOEHRIQHSA-N 0 0 346.431 1.725 10 0 EDAERN Cc1cccc(C(=O)NC[C@H]2CC(=O)N(C)C2)c1Br ZINC000619002213 450372219 /nfs/dbraw/zinc/37/22/19/450372219.db2.gz RSOGUSPCIDVYCV-SNVBAGLBSA-N 0 0 325.206 1.966 10 0 EDAERN CCOCCC1(C(=O)N2C[C@@H](OC)[C@H](c3cn[nH]n3)C2)CCCC1 ZINC000623032061 450374248 /nfs/dbraw/zinc/37/42/48/450374248.db2.gz FYDMLPMNCJFADG-DZGCQCFKSA-N 0 0 336.436 1.733 10 0 EDAERN CC(=O)Nc1ccc([C@H]2c3ccccc3CCN2S(N)(=O)=O)cc1 ZINC000616583673 450453631 /nfs/dbraw/zinc/45/36/31/450453631.db2.gz GHKIPNNNKXMMMH-KRWDZBQOSA-N 0 0 345.424 1.796 10 0 EDAERN NC(=O)c1ccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000616613684 450455702 /nfs/dbraw/zinc/45/57/02/450455702.db2.gz ULILYQIKHCYUQH-OAHLLOKOSA-N 0 0 330.409 1.964 10 0 EDAERN CC(C)(C)OC(=O)N1CCN[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000616628980 450456125 /nfs/dbraw/zinc/45/61/25/450456125.db2.gz GYAFRGIKFRGQRM-ZDUSSCGKSA-N 0 0 326.418 1.627 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616639739 450457067 /nfs/dbraw/zinc/45/70/67/450457067.db2.gz ONIZZBBLMQJFQJ-OAHLLOKOSA-N 0 0 349.431 1.684 10 0 EDAERN COc1ccnc(CN2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)c1OC ZINC000625912087 450534914 /nfs/dbraw/zinc/53/49/14/450534914.db2.gz LWIMLCZEQSZOJS-QMTHXVAHSA-N 0 0 334.376 1.752 10 0 EDAERN Cc1noc(COC2CN(C(=O)[C@@](C)(O)CCc3ccccc3)C2)n1 ZINC000644223206 453158581 /nfs/dbraw/zinc/15/85/81/453158581.db2.gz WRCQEOVTWIHTDI-SFHVURJKSA-N 0 0 345.399 1.489 10 0 EDAERN CCN(CC)c1ccc(NC(=O)CN2CCCC[C@H](O)C2=O)cn1 ZINC000644312043 453286794 /nfs/dbraw/zinc/28/67/94/453286794.db2.gz MGXFSTBHUQOUOF-AWEZNQCLSA-N 0 0 334.420 1.240 10 0 EDAERN CN(Cc1cc(O)ccc1Br)C[C@@H]1CN(C)CCO1 ZINC000678257478 487277087 /nfs/dbraw/zinc/27/70/87/487277087.db2.gz RFAAJDLIBIXJGP-ZDUSSCGKSA-N 0 0 329.238 1.917 10 0 EDAERN Cc1c([N+](=O)[O-])c(N(C)[N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000196269345 485505531 /nfs/dbraw/zinc/50/55/31/485505531.db2.gz DTDOFEQVBRIAHG-UHFFFAOYSA-N 0 0 346.168 1.256 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@@H](CC(N)=O)CC2)c(C)c1 ZINC000671414794 486477968 /nfs/dbraw/zinc/47/79/68/486477968.db2.gz VIJHTTGRVSKWNA-CYBMUJFWSA-N 0 0 340.445 1.670 10 0 EDAERN Cc1ccc(-c2cnc(CN3CC[C@](O)(Cn4ccnn4)C3)o2)cc1 ZINC000671551763 486649699 /nfs/dbraw/zinc/64/96/99/486649699.db2.gz NEXICSBZUQGCPN-GOSISDBHSA-N 0 0 339.399 1.879 10 0 EDAERN CCN(CC)C(=O)CN1CCN(Cc2ccccc2C)C(=O)C1=O ZINC000064888724 490996610 /nfs/dbraw/zinc/99/66/10/490996610.db2.gz NZXXFYBNFNYNMH-UHFFFAOYSA-N 0 0 331.416 1.034 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)CC2 ZINC000121204222 490998862 /nfs/dbraw/zinc/99/88/62/490998862.db2.gz XZJFKURSSOMNSL-QWHCGFSZSA-N 0 0 342.465 1.205 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCCn3ccnc3)C2)n1 ZINC000172113276 500999875 /nfs/dbraw/zinc/99/98/75/500999875.db2.gz WUKUKNZEBFMXNW-INIZCTEOSA-N 0 0 345.451 1.603 10 0 EDAERN COc1cccc2[nH]cc(CC(=O)N[C@H]3CCCn4ncnc43)c21 ZINC000181307818 533830069 /nfs/dbraw/zinc/83/00/69/533830069.db2.gz AIVPUOIJWQWIGW-ZDUSSCGKSA-N 0 0 325.372 1.962 10 0 EDAERN Cc1c(NC(=O)N[C@H](C(N)=O)C(C)C)cnn1-c1ccccc1F ZINC000183301440 533911643 /nfs/dbraw/zinc/91/16/43/533911643.db2.gz DDZKQAJLZUZISU-AWEZNQCLSA-N 0 0 333.367 1.951 10 0 EDAERN COc1ccccc1C(=O)NCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000153982203 533970435 /nfs/dbraw/zinc/97/04/35/533970435.db2.gz QIXVKSKOOGCPJP-GOEBONIOSA-N 0 0 332.400 1.595 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)C(C)C ZINC000129927825 534139376 /nfs/dbraw/zinc/13/93/76/534139376.db2.gz WQRGFKOFJYIWKB-SECBINFHSA-N 0 0 349.313 1.020 10 0 EDAERN COC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)C(C)C ZINC000170991269 534140942 /nfs/dbraw/zinc/14/09/42/534140942.db2.gz NODBDCZXVDQSRR-DGCLKSJQSA-N 0 0 337.424 1.213 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000154525849 534180432 /nfs/dbraw/zinc/18/04/32/534180432.db2.gz UNRDWCHERPLBPL-UONOGXRCSA-N 0 0 334.420 1.547 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000168694849 534229236 /nfs/dbraw/zinc/22/92/36/534229236.db2.gz IYTCRDGUNUDDAK-AHGSNSTDSA-N 0 0 328.818 1.107 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cccc2cc(N)ccc21 ZINC000169083567 534229616 /nfs/dbraw/zinc/22/96/16/534229616.db2.gz GPJGHIDYBZEDTO-WVDJIFEKSA-N 0 0 326.443 1.467 10 0 EDAERN O=C(CCCCN1CCOCC1)N1CCC(Nc2cccnn2)CC1 ZINC000171810117 534341571 /nfs/dbraw/zinc/34/15/71/534341571.db2.gz YOYMWVHKRNWVOR-UHFFFAOYSA-N 0 0 347.463 1.382 10 0 EDAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@H](C)C2 ZINC000180590850 534453081 /nfs/dbraw/zinc/45/30/81/534453081.db2.gz WAYZRIVVNCKHNO-BDJLRTHQSA-N 0 0 347.440 1.644 10 0 EDAERN C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2Br)CC[C@@H]1O ZINC000166068779 534455636 /nfs/dbraw/zinc/45/56/36/534455636.db2.gz PEFGBOOQRFNDOL-RNCFNFMXSA-N 0 0 342.237 1.673 10 0 EDAERN Cn1cc(C(=O)C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cn1 ZINC000168987792 534729675 /nfs/dbraw/zinc/72/96/75/534729675.db2.gz HMUWPTITOLOQFA-GFCCVEGCSA-N 0 0 325.290 1.893 10 0 EDAERN Cc1csc(CNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000181419375 534812433 /nfs/dbraw/zinc/81/24/33/534812433.db2.gz VKNIPHUPIKJLTF-NSHDSACASA-N 0 0 334.449 1.981 10 0 EDAERN O=C1[C@H](SC[C@@H](O)CO)CCN1c1ccc(C(F)(F)F)cc1 ZINC000177449429 534845875 /nfs/dbraw/zinc/84/58/75/534845875.db2.gz USFGVACTEQYQPL-NWDGAFQWSA-N 0 0 335.347 1.897 10 0 EDAERN CC(C)(C)OC(=O)NC1CCN(C(=O)CSc2nc[nH]n2)CC1 ZINC000253577824 534871038 /nfs/dbraw/zinc/87/10/38/534871038.db2.gz XNLTYZVSOZDPGF-UHFFFAOYSA-N 0 0 341.437 1.413 10 0 EDAERN O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](N2CCOCC2)C1 ZINC000173999057 534872988 /nfs/dbraw/zinc/87/29/88/534872988.db2.gz LSSJBBCRVLLPKL-JTQLQIEISA-N 0 0 336.866 1.497 10 0 EDAERN O=S1(=O)CCCC[C@H]1c1nnc(I)o1 ZINC000157931674 534875395 /nfs/dbraw/zinc/87/53/95/534875395.db2.gz INQRBDWXCDCWOU-YFKPBYRVSA-N 0 0 328.131 1.314 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177559217 526413016 /nfs/dbraw/zinc/41/30/16/526413016.db2.gz UJFOBVCVKZUARW-VXGBXAGGSA-N 0 0 335.408 1.486 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCCCOCCc2ccccc2)C1 ZINC000189890340 526706347 /nfs/dbraw/zinc/70/63/47/526706347.db2.gz HOBGBZRISYNLRT-UHFFFAOYSA-N 0 0 333.432 1.556 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000189798805 526709845 /nfs/dbraw/zinc/70/98/45/526709845.db2.gz QNTNLWIJBJOBOG-UHFFFAOYSA-N 0 0 346.309 1.053 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000157429372 527720041 /nfs/dbraw/zinc/72/00/41/527720041.db2.gz WVGIXMYKPSWRDU-CVEARBPZSA-N 0 0 334.416 1.827 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CN(C)CCO2)C1(CC)CC ZINC000175762341 527896074 /nfs/dbraw/zinc/89/60/74/527896074.db2.gz XQBNDDVBIMTUKF-OWCLPIDISA-N 0 0 341.496 1.942 10 0 EDAERN CCCCCCNC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000189956080 528143908 /nfs/dbraw/zinc/14/39/08/528143908.db2.gz FUJKWOWYGZCSMV-AWEZNQCLSA-N 0 0 342.465 1.482 10 0 EDAERN CCCN1CC(=O)N(Cc2ccc(Br)cn2)CC1=O ZINC000168457164 528175730 /nfs/dbraw/zinc/17/57/30/528175730.db2.gz MJZUNEUQKFALTB-UHFFFAOYSA-N 0 0 326.194 1.425 10 0 EDAERN CC(C)c1cccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174000694 528185459 /nfs/dbraw/zinc/18/54/59/528185459.db2.gz SKGCELJJKUICBU-MRXNPFEDSA-N 0 0 338.473 1.905 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000179918629 528202056 /nfs/dbraw/zinc/20/20/56/528202056.db2.gz YTNHLLWTCXAXNV-LBPRGKRZSA-N 0 0 336.417 1.359 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc(C(N)=O)cn2)no1 ZINC000173593992 528307932 /nfs/dbraw/zinc/30/79/32/528307932.db2.gz AFXLMLJWHXTYRT-LBPRGKRZSA-N 0 0 329.360 1.664 10 0 EDAERN CCOC(=O)c1nnc(Sc2ncc(Br)cn2)o1 ZINC000169228564 528380941 /nfs/dbraw/zinc/38/09/41/528380941.db2.gz DBIOOWFITDNSRZ-UHFFFAOYSA-N 0 0 331.151 1.950 10 0 EDAERN CCCNC(=O)[C@@H]1COCCN1c1cc(C)c(Br)cn1 ZINC000166328375 528434268 /nfs/dbraw/zinc/43/42/68/528434268.db2.gz MDQNCEKXNIIZHO-LBPRGKRZSA-N 0 0 342.237 1.884 10 0 EDAERN CCCNC(=O)[C@H]1COCCN1Cc1cncc(Br)c1 ZINC000168426122 528442822 /nfs/dbraw/zinc/44/28/22/528442822.db2.gz HHGZDBFFFCBIDO-CYBMUJFWSA-N 0 0 342.237 1.571 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)CC2 ZINC000181749992 528474774 /nfs/dbraw/zinc/47/47/74/528474774.db2.gz WYDKMZIZGOURHB-SJCJKPOMSA-N 0 0 347.419 1.516 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000181462960 528615866 /nfs/dbraw/zinc/61/58/66/528615866.db2.gz XRHOXYOSWHHNOT-GWCFXTLKSA-N 0 0 326.343 1.593 10 0 EDAERN CC(C)n1ncc(Br)c1C(=O)[C@@H]1CN2CCN1CC2 ZINC000156837044 528652058 /nfs/dbraw/zinc/65/20/58/528652058.db2.gz DNYDCGDHQJOBAJ-NSHDSACASA-N 0 0 327.226 1.409 10 0 EDAERN CCOCCCn1cnc(Cl)c(I)c1=O ZINC000166350216 528701212 /nfs/dbraw/zinc/70/12/12/528701212.db2.gz SGBGJAURTJJCPE-UHFFFAOYSA-N 0 0 342.564 1.928 10 0 EDAERN CC/C(=C/C(=O)NC[C@@H](O)CN1CCOCC1)c1ccc(OC)cc1 ZINC000132917496 528747988 /nfs/dbraw/zinc/74/79/88/528747988.db2.gz LTWCALGFCVKLPE-MLRPBERTSA-N 0 0 348.443 1.298 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)c1nccnc1N)c1ccccc1C ZINC000174677371 528874772 /nfs/dbraw/zinc/87/47/72/528874772.db2.gz RBLYIYMZELPROJ-CYBMUJFWSA-N 0 0 328.372 1.792 10 0 EDAERN CCC[C@@H](O)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000158675862 529036279 /nfs/dbraw/zinc/03/62/79/529036279.db2.gz INKMSDJSOJUBEJ-SECBINFHSA-N 0 0 332.809 1.274 10 0 EDAERN CCCCc1nnc(NC(=O)CN2CCC[C@]2(C)C(=O)OC)s1 ZINC000186332626 529049624 /nfs/dbraw/zinc/04/96/24/529049624.db2.gz CFDMKKVNCPQBAO-OAHLLOKOSA-N 0 0 340.449 1.847 10 0 EDAERN CC1(C)CN(S(=O)(=O)c2ccc(C(N)=S)cc2)CCS1 ZINC000158770561 529127489 /nfs/dbraw/zinc/12/74/89/529127489.db2.gz DJVRARCEWZCQIY-UHFFFAOYSA-N 0 0 330.500 1.837 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174009526 529154387 /nfs/dbraw/zinc/15/43/87/529154387.db2.gz LFPVUEXZNXXZHB-INIZCTEOSA-N 0 0 345.443 1.429 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000181812785 529226996 /nfs/dbraw/zinc/22/69/96/529226996.db2.gz AWPIYCAXQJRDNU-QGZVFWFLSA-N 0 0 349.450 1.955 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C)n1CC ZINC000091049831 535329886 /nfs/dbraw/zinc/32/98/86/535329886.db2.gz WNOHSFNLTSELRO-GHMZBOCLSA-N 0 0 330.454 1.215 10 0 EDAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@H](C)c2csc(C)n2)C1 ZINC000333024400 535660691 /nfs/dbraw/zinc/66/06/91/535660691.db2.gz AVAZDZSYAZEKFR-SECBINFHSA-N 0 0 346.478 1.093 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnn(C)c2)C12CCCC2 ZINC000119109209 535761738 /nfs/dbraw/zinc/76/17/38/535761738.db2.gz FWJQOEQCCAKDHI-ZIAGYGMSSA-N 0 0 334.420 1.555 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000248878490 535866999 /nfs/dbraw/zinc/86/69/99/535866999.db2.gz DPHCYXSZCQMBLR-SQWLQELKSA-N 0 0 347.459 1.814 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccccc1COC)CC2 ZINC000114926167 536164081 /nfs/dbraw/zinc/16/40/81/536164081.db2.gz GVTSPIQWKYIJBH-OAHLLOKOSA-N 0 0 343.431 1.801 10 0 EDAERN CN[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1cnn(C)c1 ZINC000262018076 536336860 /nfs/dbraw/zinc/33/68/60/536336860.db2.gz CPTDNAKDXBZMEX-QLJPJBMISA-N 0 0 327.388 1.053 10 0 EDAERN CN[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1cnn(C)c1 ZINC000261984724 536385769 /nfs/dbraw/zinc/38/57/69/536385769.db2.gz JKWICHFVBIHNTM-ZBEGNZNMSA-N 0 0 330.388 1.329 10 0 EDAERN COCCN1CCN(C(=O)C[C@@H]2c3ccccc3NC2=O)C[C@@H]1C ZINC000117285555 536865397 /nfs/dbraw/zinc/86/53/97/536865397.db2.gz UGBJLRNVVUWLLF-DZGCQCFKSA-N 0 0 331.416 1.292 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2C[C@H](C)C[C@@H](O)C2)cn1 ZINC000333572308 536945842 /nfs/dbraw/zinc/94/58/42/536945842.db2.gz ITGRLXPFMMBLSK-OEYIWLLWSA-N 0 0 335.404 1.333 10 0 EDAERN CN(C)c1cc(CN2CCCC[C@H]2c2n[nH]cc2C(N)=O)ccn1 ZINC000780066711 580510722 /nfs/dbraw/zinc/51/07/22/580510722.db2.gz IVCHBGPRKLRGIW-AWEZNQCLSA-N 0 0 328.420 1.697 10 0 EDAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3c[nH]c(C4CC4)n3)C2)cc(=O)[nH]1 ZINC000888094821 591025562 /nfs/dbraw/zinc/02/55/62/591025562.db2.gz DCCICDQOBOZZAH-LLVKDONJSA-N 0 0 342.403 1.478 10 0 EDAERN CN(Cc1ccon1)C(=O)[C@H]1CC[C@@H](C(N)=O)N1Cc1ccccc1 ZINC000888095245 591025796 /nfs/dbraw/zinc/02/57/96/591025796.db2.gz NSELVAXTCBQVHF-JKSUJKDBSA-N 0 0 342.399 1.152 10 0 EDAERN Cc1cc(C(=O)NC[C@H]2C[C@H](c3n[nH]c(C)n3)C[C@H]2O)c(C)n1C ZINC000888098851 591029083 /nfs/dbraw/zinc/02/90/83/591029083.db2.gz WSTDXWGXFNUXSG-GZBFAFLISA-N 0 0 331.420 1.353 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cccnc1Cl ZINC000103812908 593628977 /nfs/dbraw/zinc/62/89/77/593628977.db2.gz PRSRMEIZQAHOMO-LBPRGKRZSA-N 0 0 346.836 1.982 10 0 EDAERN CNC(=O)c1nc(C2CCN(C(=O)[C@@H]3Cc4ccccc43)CC2)n[nH]1 ZINC000818478306 593699310 /nfs/dbraw/zinc/69/93/10/593699310.db2.gz DAFZZUFYDQHBEQ-CQSZACIVSA-N 0 0 339.399 1.210 10 0 EDAERN CCCc1nc(C)c(C(=O)N[C@H]2COC[C@H]2Oc2cnn(CC)c2)o1 ZINC000818598254 593706836 /nfs/dbraw/zinc/70/68/36/593706836.db2.gz FHQKADZVENPMNO-UONOGXRCSA-N 0 0 348.403 1.728 10 0 EDAERN Cn1cc([C@@H]2[C@H](C(=O)OCc3cccnc3)CCC(=O)N2C)cn1 ZINC000115202618 595532971 /nfs/dbraw/zinc/53/29/71/595532971.db2.gz IXRKEVUTHAYLDX-GDBMZVCRSA-N 0 0 328.372 1.468 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)/C=C/c3ccccc3)CCO2)c1 ZINC000112093640 596021886 /nfs/dbraw/zinc/02/18/86/596021886.db2.gz JHSYKRDXZLXOAQ-JEJOPICUSA-N 0 0 347.440 1.893 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCC[S@@](=O)C(C)(C)C)C(C)C ZINC000112299320 596103453 /nfs/dbraw/zinc/10/34/53/596103453.db2.gz IZRYVYFREFKHGT-PEBXRYMYSA-N 0 0 332.510 1.837 10 0 EDAERN CCN1C[C@@H](COC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1=O ZINC000123923363 596799101 /nfs/dbraw/zinc/79/91/01/596799101.db2.gz SJGGSXFWSJEKFT-BBRMVZONSA-N 0 0 326.437 1.585 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)C[C@H]2C(=O)Nc3ccccc32)n1 ZINC000121020510 596861447 /nfs/dbraw/zinc/86/14/47/596861447.db2.gz IVMIPFCTHADGCU-OCCSQVGLSA-N 0 0 342.355 1.404 10 0 EDAERN COCCN1CCN(C(=O)Nc2cc3ccccc3nn2)C[C@@H]1C ZINC000888605246 596961515 /nfs/dbraw/zinc/96/15/15/596961515.db2.gz TTWJIMRGJLGNJN-ZDUSSCGKSA-N 0 0 329.404 1.814 10 0 EDAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1cccc(Br)c1 ZINC000124894852 596975212 /nfs/dbraw/zinc/97/52/12/596975212.db2.gz JJEDLVOSFUZTCX-NSHDSACASA-N 0 0 347.234 1.164 10 0 EDAERN O=C(C[C@@H]1CSCCS1)N1CCCN(c2cccnn2)CC1 ZINC000126646488 597547323 /nfs/dbraw/zinc/54/73/23/597547323.db2.gz CIBJPFILAOMYFI-CYBMUJFWSA-N 0 0 338.502 1.754 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCF ZINC000175591563 697788607 /nfs/dbraw/zinc/78/86/07/697788607.db2.gz CXLJXTODCHWMLD-RYUDHWBXSA-N 0 0 338.445 1.959 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCc3ccnn3C)C2)no1 ZINC000185024039 698813767 /nfs/dbraw/zinc/81/37/67/698813767.db2.gz NERYHCFOMICQKC-ZDUSSCGKSA-N 0 0 332.408 1.318 10 0 EDAERN COc1ccc(C(=O)CN(C)CC(=O)N(C)C)cc1Br ZINC000050133661 214047024 /nfs/dbraw/zinc/04/70/24/214047024.db2.gz MJKIODRUGHYFKH-UHFFFAOYSA-N 0 0 343.221 1.660 10 0 EDAERN Cc1c(N)cc(S(=O)(=O)N[C@H](C)c2nncn2C)cc1Cl ZINC000050225867 214050839 /nfs/dbraw/zinc/05/08/39/214050839.db2.gz KQEXCZHEMLSPHV-MRVPVSSYSA-N 0 0 329.813 1.399 10 0 EDAERN CC(C)N1CCN(C(=O)c2cc(Br)cnc2N)CC1 ZINC000050703602 214067520 /nfs/dbraw/zinc/06/75/20/214067520.db2.gz OQAFHOINGFXQBB-UHFFFAOYSA-N 0 0 327.226 1.593 10 0 EDAERN CCCNc1ncc(Br)cc1C(=O)NCC(=O)NC ZINC000050751183 214068400 /nfs/dbraw/zinc/06/84/00/214068400.db2.gz RCDKSCPJHCFQQF-UHFFFAOYSA-N 0 0 329.198 1.142 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N(CCOC)CCOC ZINC000050789248 214070898 /nfs/dbraw/zinc/07/08/98/214070898.db2.gz WXOQFXIWVXSOLC-UHFFFAOYSA-N 0 0 346.225 1.621 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052016333 214113183 /nfs/dbraw/zinc/11/31/83/214113183.db2.gz RGEWAQGXBNTQGG-QWRGUYRKSA-N 0 0 328.210 1.919 10 0 EDAERN CN(C(=O)CNc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000053995152 214209662 /nfs/dbraw/zinc/20/96/62/214209662.db2.gz LRLGHVVSQXQEDA-CQSZACIVSA-N 0 0 332.425 1.897 10 0 EDAERN CC[C@H](CC(N)=S)NS(=O)(=O)c1cccc2nsnc21 ZINC000054162876 214221194 /nfs/dbraw/zinc/22/11/94/214221194.db2.gz CYKUJZNPUVPTRD-SSDOTTSWSA-N 0 0 330.460 1.424 10 0 EDAERN Nc1nc(C(=O)Nc2ccccc2I)n[nH]1 ZINC000055164615 214281848 /nfs/dbraw/zinc/28/18/48/214281848.db2.gz RVMJSOWKEVKXRM-UHFFFAOYSA-N 0 0 329.101 1.244 10 0 EDAERN Cc1nc(N)sc1C(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000055172680 214282752 /nfs/dbraw/zinc/28/27/52/214282752.db2.gz ZLASFOJDISRMIT-UHFFFAOYSA-N 0 0 326.403 1.242 10 0 EDAERN Cc1nnc(SCC(=O)NCCCc2csc(N)n2)s1 ZINC000055327610 214308174 /nfs/dbraw/zinc/30/81/74/214308174.db2.gz KUHRATHWGJXJEB-UHFFFAOYSA-N 0 0 329.476 1.726 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000173697804 231009105 /nfs/dbraw/zinc/00/91/05/231009105.db2.gz QAXVRTKTVSYXPR-GFCCVEGCSA-N 0 0 331.351 1.528 10 0 EDAERN Cc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)nn1C(C)(C)C ZINC000173830924 231046273 /nfs/dbraw/zinc/04/62/73/231046273.db2.gz SVPJTMLQLWNCFP-CZUORRHYSA-N 0 0 334.464 1.739 10 0 EDAERN Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173999955 231095436 /nfs/dbraw/zinc/09/54/36/231095436.db2.gz BNFAJHMBVUVPCG-CQSZACIVSA-N 0 0 328.409 1.229 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000173983329 231089053 /nfs/dbraw/zinc/08/90/53/231089053.db2.gz YKTOEKHVTOAIHB-ZDUSSCGKSA-N 0 0 341.814 1.824 10 0 EDAERN C[C@@H](SCc1nc(N)nc(N)n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000056229239 214366162 /nfs/dbraw/zinc/36/61/62/214366162.db2.gz SCYFPWPXFYAAAV-VHSXEESVSA-N 0 0 332.433 1.535 10 0 EDAERN O=C(Cc1csc(-c2ncccn2)n1)N1CCO[C@@H]2CCC[C@H]21 ZINC000056198236 214364853 /nfs/dbraw/zinc/36/48/53/214364853.db2.gz LVZKKHVREAZVDP-CHWSQXEVSA-N 0 0 330.413 1.923 10 0 EDAERN CCN1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000056938743 214396285 /nfs/dbraw/zinc/39/62/85/214396285.db2.gz BJVSPFQAYWWXMX-CQSZACIVSA-N 0 0 326.466 1.001 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)c1cccc(Br)c1 ZINC000174566879 231243754 /nfs/dbraw/zinc/24/37/54/231243754.db2.gz DAYDEVOSKGJJSW-MFKMUULPSA-N 0 0 327.222 1.957 10 0 EDAERN CC[S@](=O)c1ccccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766386 529459557 /nfs/dbraw/zinc/45/95/57/529459557.db2.gz LWFLYYRPLMYBPD-FATZIPQQSA-N 0 0 336.457 1.361 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CSC(C)(C)C)C2=O)n(C)n1 ZINC000174981983 231359802 /nfs/dbraw/zinc/35/98/02/231359802.db2.gz XSKDRTMMGUGTMX-LBPRGKRZSA-N 0 0 338.477 1.872 10 0 EDAERN CCc1cc(CO)cc(-n2cc(I)cn2)n1 ZINC000166604463 529528273 /nfs/dbraw/zinc/52/82/73/529528273.db2.gz ZRQKEZSSOMRQJE-UHFFFAOYSA-N 0 0 329.141 1.927 10 0 EDAERN Cc1ccc(CS(=O)(=O)NC[C@H]2Oc3ccccc3NC2=O)cc1 ZINC000049739197 214030272 /nfs/dbraw/zinc/03/02/72/214030272.db2.gz PLDKUJSSUKGTJV-MRXNPFEDSA-N 0 0 346.408 1.814 10 0 EDAERN Cc1ccc(S(=O)(=O)NC[C@@H]2Oc3ccccc3NC2=O)s1 ZINC000049739175 214030216 /nfs/dbraw/zinc/03/02/16/214030216.db2.gz VGHKWHHLIWAHPU-LBPRGKRZSA-N 0 0 338.410 1.735 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176101665 231574101 /nfs/dbraw/zinc/57/41/01/231574101.db2.gz BTDYXVNIXFECOY-LLVKDONJSA-N 0 0 333.779 1.830 10 0 EDAERN CCc1n[nH]c(=O)c(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1CC ZINC000135396320 529694607 /nfs/dbraw/zinc/69/46/07/529694607.db2.gz AHZBZWAOYYKAPC-CYBMUJFWSA-N 0 0 343.431 1.877 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccc(OCCOC)cc3)CCO2)[nH]1 ZINC000129198942 529700030 /nfs/dbraw/zinc/70/00/30/529700030.db2.gz RMQPMXVWFLGWAM-INIZCTEOSA-N 0 0 346.431 1.966 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000181938055 529698751 /nfs/dbraw/zinc/69/87/51/529698751.db2.gz YOPWZXUZZRBVIZ-ROUUACIJSA-N 0 0 348.491 1.919 10 0 EDAERN CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@@H](O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000098088457 219081768 /nfs/dbraw/zinc/08/17/68/219081768.db2.gz WXDMUXIQGLWPEU-YUELXQCFSA-N 0 0 348.399 1.441 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccccc3OC)CCO2)[nH]1 ZINC000130041460 529701181 /nfs/dbraw/zinc/70/11/81/529701181.db2.gz PZJADSQSFHGWDE-CYBMUJFWSA-N 0 0 331.376 1.981 10 0 EDAERN CNC(=O)[C@@H](C)Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000061630229 214667918 /nfs/dbraw/zinc/66/79/18/214667918.db2.gz JHJKZBOPZSWEKG-ZCFIWIBFSA-N 0 0 328.287 1.666 10 0 EDAERN C[C@H](CO)NC(=O)CCS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000062159254 214702758 /nfs/dbraw/zinc/70/27/58/214702758.db2.gz XZWAGCRGQZBIIC-MRVPVSSYSA-N 0 0 340.228 1.654 10 0 EDAERN CN1CCO[C@@H](CS(=O)(=O)c2ccc(Br)cc2N)C1 ZINC000165761590 529784754 /nfs/dbraw/zinc/78/47/54/529784754.db2.gz LCEAAHYLNAJCOE-SNVBAGLBSA-N 0 0 349.250 1.136 10 0 EDAERN CNC(=O)Cn1cnc(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000174716820 529877854 /nfs/dbraw/zinc/87/78/54/529877854.db2.gz MYGXVCDGTIESLV-GJZGRUSLSA-N 0 0 341.415 1.890 10 0 EDAERN O=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCCn2ncnc21 ZINC000177366452 231871564 /nfs/dbraw/zinc/87/15/64/231871564.db2.gz BWXXKGHIYFGJKH-STQMWFEESA-N 0 0 335.795 1.799 10 0 EDAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164727607 529924456 /nfs/dbraw/zinc/92/44/56/529924456.db2.gz COCGQGSAHZEWLS-LLVKDONJSA-N 0 0 331.825 1.130 10 0 EDAERN CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171433136 529943745 /nfs/dbraw/zinc/94/37/45/529943745.db2.gz NHRKXRNNSANCRA-OAHLLOKOSA-N 0 0 348.428 1.306 10 0 EDAERN COC(=O)c1cn(CCCO)cc2c(=O)n(-c3cccc(C)c3)nc1-2 ZINC000101439345 219127317 /nfs/dbraw/zinc/12/73/17/219127317.db2.gz MVYXKVLJSCLUDS-UHFFFAOYSA-N 0 0 341.367 1.616 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000101580588 219142443 /nfs/dbraw/zinc/14/24/43/219142443.db2.gz OFDHLBFVAKDWEH-JTQLQIEISA-N 0 0 348.856 1.143 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000187852420 530017180 /nfs/dbraw/zinc/01/71/80/530017180.db2.gz MNCJVYDWCLYLIV-BXUZGUMPSA-N 0 0 325.434 1.077 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCc3ccccn3)CCO2)c1 ZINC000178422453 232161523 /nfs/dbraw/zinc/16/15/23/232161523.db2.gz FPVFVXMHUKOQFH-KRWDZBQOSA-N 0 0 343.431 1.630 10 0 EDAERN COc1cccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1OC ZINC000126750710 222745070 /nfs/dbraw/zinc/74/50/70/222745070.db2.gz WLJVLPACQDTNAF-ZDUSSCGKSA-N 0 0 330.388 1.848 10 0 EDAERN Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@H]1c1cnn(C)c1 ZINC000179446138 233042036 /nfs/dbraw/zinc/04/20/36/233042036.db2.gz VZTIMHLKZIHHOB-KRWDZBQOSA-N 0 0 344.463 1.636 10 0 EDAERN O=C(c1ccc(O)cc1O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000179483788 233085979 /nfs/dbraw/zinc/08/59/79/233085979.db2.gz HHKPJPMQEHDUDZ-SFHVURJKSA-N 0 0 342.395 1.589 10 0 EDAERN c1nn2ccccc2c1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000179500178 233104798 /nfs/dbraw/zinc/10/47/98/233104798.db2.gz MZRBFRJBNDKFNL-UHFFFAOYSA-N 0 0 334.387 1.094 10 0 EDAERN COCCNC(=O)c1ccc(NC(=O)[C@H](C)COC)cc1Cl ZINC000103382366 219295493 /nfs/dbraw/zinc/29/54/93/219295493.db2.gz USTOUTWDRGQUSB-SNVBAGLBSA-N 0 0 328.796 1.937 10 0 EDAERN CC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2c2ccc(F)cc2)CC1 ZINC000041459156 213447665 /nfs/dbraw/zinc/44/76/65/213447665.db2.gz LFJBOKGFHNUUTR-OAHLLOKOSA-N 0 0 333.363 1.012 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)CCO1 ZINC000041239238 213434338 /nfs/dbraw/zinc/43/43/38/213434338.db2.gz UKQXFCJOUWKABC-LLVKDONJSA-N 0 0 346.836 1.120 10 0 EDAERN CNC(=O)Cc1nc(CN2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000152225210 539802601 /nfs/dbraw/zinc/80/26/01/539802601.db2.gz SNDZUTQPOWGJIJ-CQSZACIVSA-N 0 0 332.429 1.480 10 0 EDAERN Cn1cccc1C(=O)N1CCO[C@H]2[C@@H](CNc3ncccn3)CC[C@@H]21 ZINC000096250136 282727596 /nfs/dbraw/zinc/72/75/96/282727596.db2.gz PTRHAFZVIVCXCH-YCPHGPKFSA-N 0 0 341.415 1.547 10 0 EDAERN CNC(=O)CCCN1C(=O)C(=O)c2cccc(Br)c21 ZINC000068819102 215337229 /nfs/dbraw/zinc/33/72/29/215337229.db2.gz PIDGTYCEFDTFRH-UHFFFAOYSA-N 0 0 325.162 1.505 10 0 EDAERN CCc1nnc(NC(=O)CCc2nc3ccccc3[nH]c2=O)s1 ZINC000040839255 213393021 /nfs/dbraw/zinc/39/30/21/213393021.db2.gz ZEPHYVGCIXPZQO-UHFFFAOYSA-N 0 0 329.385 1.908 10 0 EDAERN O=S1(=O)CC[C@H](Nc2ccnc3cc(Br)cnc32)C1 ZINC000127207951 222809585 /nfs/dbraw/zinc/80/95/85/222809585.db2.gz FHTLKVSVYJQCSH-VIFPVBQESA-N 0 0 342.218 1.991 10 0 EDAERN Nc1ccc(Br)c(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000069140276 215362895 /nfs/dbraw/zinc/36/28/95/215362895.db2.gz QNQSVSNRHYNMBJ-VIFPVBQESA-N 0 0 347.234 1.338 10 0 EDAERN O=C1COc2cc(N[C@@H]3CCCS(=O)(=O)C3)c(Cl)cc2N1 ZINC000069136132 215362964 /nfs/dbraw/zinc/36/29/64/215362964.db2.gz NOHIWKKQFQLPQY-MRVPVSSYSA-N 0 0 330.793 1.660 10 0 EDAERN O=C(NCc1cccc(Cl)c1)N1CCO[C@H]2CS(=O)(=O)C[C@H]21 ZINC000040666421 213367148 /nfs/dbraw/zinc/36/71/48/213367148.db2.gz VRWGNMRTPJPMDE-OLZOCXBDSA-N 0 0 344.820 1.047 10 0 EDAERN C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000040662798 213366800 /nfs/dbraw/zinc/36/68/00/213366800.db2.gz ZFAWCLOYYRKMSV-YOEHRIQHSA-N 0 0 348.418 1.854 10 0 EDAERN CC(C)(CC(=O)N1CCO[C@H]2CS(=O)(=O)C[C@H]21)c1ccccc1 ZINC000040666161 213366179 /nfs/dbraw/zinc/36/61/79/213366179.db2.gz FJVWGQWFGNUVTQ-CABCVRRESA-N 0 0 337.441 1.379 10 0 EDAERN Cc1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000040634685 213362493 /nfs/dbraw/zinc/36/24/93/213362493.db2.gz OJZNNLHWKATNPM-STQMWFEESA-N 0 0 340.445 1.495 10 0 EDAERN C[C@H]1COC[C@H](C)N1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000040634885 213362155 /nfs/dbraw/zinc/36/21/55/213362155.db2.gz VYJFNOHPDQRSJL-STQMWFEESA-N 0 0 330.384 1.699 10 0 EDAERN O=C([O-])C[NH+]1CCN(C(=O)Nc2ncc(Br)s2)CC1 ZINC000040592944 213357005 /nfs/dbraw/zinc/35/70/05/213357005.db2.gz VWUVEHSYXVORIT-UHFFFAOYSA-N 0 0 349.210 1.140 10 0 EDAERN O=C([O-])C[NH+]1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000040550455 213347491 /nfs/dbraw/zinc/34/74/91/213347491.db2.gz RVGNFQGRNHFKRZ-UHFFFAOYSA-N 0 0 342.193 1.683 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(CCO)cc1 ZINC000127343874 222827451 /nfs/dbraw/zinc/82/74/51/222827451.db2.gz JNLCWDWRPJEFFO-HNNXBMFYSA-N 0 0 340.445 1.364 10 0 EDAERN CC(C)(NS(=O)(=O)c1ccccc1Br)C(N)=S ZINC000040350077 213292518 /nfs/dbraw/zinc/29/25/18/213292518.db2.gz HZBGFGPUHVMEJK-UHFFFAOYSA-N 0 0 337.264 1.792 10 0 EDAERN Cc1nc2[nH]c(C)c(NS(=O)(=O)c3ccc(C)cc3C)c(=O)n2n1 ZINC000015973623 540013421 /nfs/dbraw/zinc/01/34/21/540013421.db2.gz MITNXRGAQGDLML-UHFFFAOYSA-N 0 0 347.400 1.864 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000105537553 219502450 /nfs/dbraw/zinc/50/24/50/219502450.db2.gz YDGDJLQGVPASQE-CBAPKCEASA-N 0 0 349.284 1.824 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(N(C)C)c2C)C1 ZINC000180467526 540121493 /nfs/dbraw/zinc/12/14/93/540121493.db2.gz JLWMBNCHQYTNAZ-CQSZACIVSA-N 0 0 346.431 1.127 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H]1CC[C@H](CO)CC1)CC2 ZINC000181753299 540128389 /nfs/dbraw/zinc/12/83/89/540128389.db2.gz YIOYYRVUVXOUSD-MJBXVCDLSA-N 0 0 335.452 1.567 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000181800999 540128669 /nfs/dbraw/zinc/12/86/69/540128669.db2.gz NCDVIFSVYVLPAZ-ZFWWWQNUSA-N 0 0 345.378 1.595 10 0 EDAERN O=C(CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)NCC1CC1 ZINC000183800975 235230056 /nfs/dbraw/zinc/23/00/56/235230056.db2.gz LZUXYLCQDQYBRA-KBPBESRZSA-N 0 0 335.404 1.403 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ncc(Br)s1 ZINC000192433302 540178494 /nfs/dbraw/zinc/17/84/94/540178494.db2.gz IKKDTUHRYFRPHO-LURJTMIESA-N 0 0 328.195 1.762 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000193527356 540182840 /nfs/dbraw/zinc/18/28/40/540182840.db2.gz AYPGMMQUMRFGDC-CZUORRHYSA-N 0 0 328.372 1.101 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000193644548 540182965 /nfs/dbraw/zinc/18/29/65/540182965.db2.gz XLRHKBZBZQCMSX-SJLPKXTDSA-N 0 0 339.395 1.347 10 0 EDAERN O=C(Nc1cc(C(F)(F)F)ccn1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000193449034 540183077 /nfs/dbraw/zinc/18/30/77/540183077.db2.gz BKZWOPOIXXDENO-MWLCHTKSSA-N 0 0 345.321 1.706 10 0 EDAERN CCN(CC(=O)N(C)C)S(=O)(=O)c1sc(Cl)nc1C ZINC000038105714 213201899 /nfs/dbraw/zinc/20/18/99/213201899.db2.gz OMMQTJVIAJYONO-UHFFFAOYSA-N 0 0 325.843 1.204 10 0 EDAERN C[C@@H](CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1 ZINC000028397742 138096606 /nfs/dbraw/zinc/09/66/06/138096606.db2.gz OPQZHOARECEPNK-INIZCTEOSA-N 0 0 332.448 1.239 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000065912760 138175645 /nfs/dbraw/zinc/17/56/45/138175645.db2.gz PHRQMTHNGNDSCZ-SECBINFHSA-N 0 0 346.368 1.826 10 0 EDAERN CC(=O)N[C@H]1CCCN(CC(=O)N(C)CCCOc2ccccc2)C1 ZINC000077170148 138251839 /nfs/dbraw/zinc/25/18/39/138251839.db2.gz RYBPRCUORHGSGA-KRWDZBQOSA-N 0 0 347.459 1.514 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCS(=O)(=O)CC(C)C ZINC000088196380 138272086 /nfs/dbraw/zinc/27/20/86/138272086.db2.gz QQSVNISZMVHCDU-GFCCVEGCSA-N 0 0 342.465 1.253 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000087250510 138271551 /nfs/dbraw/zinc/27/15/51/138271551.db2.gz UODJMGJHXJEIEO-VXGBXAGGSA-N 0 0 348.451 1.374 10 0 EDAERN COC(=O)c1ccc(CCNC(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000081475200 138266724 /nfs/dbraw/zinc/26/67/24/138266724.db2.gz FQGICECNLQRODG-HOTGVXAUSA-N 0 0 334.416 1.866 10 0 EDAERN COc1cccc(NC(=O)CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000105891472 219581739 /nfs/dbraw/zinc/58/17/39/219581739.db2.gz CZGXCYJWYGTZIL-KRWDZBQOSA-N 0 0 344.415 1.540 10 0 EDAERN COCc1cc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)ncn1 ZINC000091188343 138282486 /nfs/dbraw/zinc/28/24/86/138282486.db2.gz CGAFLJDFHSSOKH-HNNXBMFYSA-N 0 0 340.383 1.755 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC000105847315 138302240 /nfs/dbraw/zinc/30/22/40/138302240.db2.gz ZIFOLVFGHQWBFH-HNNXBMFYSA-N 0 0 348.447 1.339 10 0 EDAERN NS(=O)(=O)Nc1cccc(NC(=O)c2cc(Cl)ccn2)c1 ZINC000037981950 213181385 /nfs/dbraw/zinc/18/13/85/213181385.db2.gz LIZUEZFXNQXEKN-UHFFFAOYSA-N 0 0 326.765 1.603 10 0 EDAERN CCCN(CCC)C(=O)CCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648370 138309448 /nfs/dbraw/zinc/30/94/48/138309448.db2.gz QCKFMHRCAXJLQR-AWEZNQCLSA-N 0 0 335.452 1.528 10 0 EDAERN C[C@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1cccnc1 ZINC000115787419 138311480 /nfs/dbraw/zinc/31/14/80/138311480.db2.gz CNYIDQUGPVKYHS-HNNXBMFYSA-N 0 0 342.447 1.794 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)c3cnn(-c4ccccc4)c3)C2)cn1 ZINC000116123757 138311570 /nfs/dbraw/zinc/31/15/70/138311570.db2.gz MWWDTUPKRYPDTJ-CQSZACIVSA-N 0 0 349.394 1.805 10 0 EDAERN COc1ccc(Br)cc1[C@@H]([NH2+]CCN(C)C)C(=O)[O-] ZINC000037964577 213176464 /nfs/dbraw/zinc/17/64/64/213176464.db2.gz HBTUZHAQAILOOP-GFCCVEGCSA-N 0 0 331.210 1.735 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000131077607 138351995 /nfs/dbraw/zinc/35/19/95/138351995.db2.gz QDHOQKRLRHOFGC-INIZCTEOSA-N 0 0 338.423 1.646 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cn(CCC(C)C)nn2)C1 ZINC000130915033 138349974 /nfs/dbraw/zinc/34/99/74/138349974.db2.gz QCHCPHJEJOQCHJ-AWEZNQCLSA-N 0 0 335.452 1.845 10 0 EDAERN OCCOc1cncc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000133035545 138387337 /nfs/dbraw/zinc/38/73/37/138387337.db2.gz RRXFVFWCEARAOP-CVEARBPZSA-N 0 0 329.400 1.940 10 0 EDAERN O=S1(=O)C[C@H](O)[C@H](Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000037491855 213149849 /nfs/dbraw/zinc/14/98/49/213149849.db2.gz UJYCFDUVAHTUFF-ZJUUUORDSA-N 0 0 329.727 1.929 10 0 EDAERN Cc1ccc(NC(=O)C(=O)NCC(N)=S)c(Br)c1 ZINC000037243957 213136530 /nfs/dbraw/zinc/13/65/30/213136530.db2.gz RHBQALXRJMALOH-UHFFFAOYSA-N 0 0 330.207 1.098 10 0 EDAERN O=C(c1ccnc(OCC(F)F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000136087881 138430790 /nfs/dbraw/zinc/43/07/90/138430790.db2.gz BFNAHOVJPZDLGZ-ZDUSSCGKSA-N 0 0 341.358 1.272 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccccc1)CC2 ZINC000136860663 138434712 /nfs/dbraw/zinc/43/47/12/138434712.db2.gz XKZSVERUBYWPLH-AWEZNQCLSA-N 0 0 341.415 1.263 10 0 EDAERN Cc1[nH]c2ccccc2c1CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186837804 236038595 /nfs/dbraw/zinc/03/85/95/236038595.db2.gz HVSFMVNNHAAXCJ-UHFFFAOYSA-N 0 0 340.427 1.939 10 0 EDAERN Cn1cnc(N)c1S(=O)(=O)NCCc1ccc(Cl)cc1Cl ZINC000070085266 215675576 /nfs/dbraw/zinc/67/55/76/215675576.db2.gz TVFOYFORPAYEEF-UHFFFAOYSA-N 0 0 349.243 1.830 10 0 EDAERN COCCN1[C@H](C)CN(C(=O)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC000036123395 213070598 /nfs/dbraw/zinc/07/05/98/213070598.db2.gz DMYYZQRTLAZGBT-ZIAGYGMSSA-N 0 0 336.432 1.885 10 0 EDAERN CCS(=O)(=O)NC[C@H](c1cccc(OC)c1)N1CCOCC1 ZINC000036099035 213066053 /nfs/dbraw/zinc/06/60/53/213066053.db2.gz AJRPXLVSZZMYKI-OAHLLOKOSA-N 0 0 328.434 1.008 10 0 EDAERN O=S(=O)(NCCN1CCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000036076216 213059729 /nfs/dbraw/zinc/05/97/29/213059729.db2.gz MSMMINBVDNZMMU-UHFFFAOYSA-N 0 0 346.408 1.756 10 0 EDAERN CCOC(=O)Cn1c(CN(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000036068032 213058780 /nfs/dbraw/zinc/05/87/80/213058780.db2.gz CTVCPBQNLZQLNP-UHFFFAOYSA-N 0 0 349.456 1.962 10 0 EDAERN COCCN1CCN(C(=O)NCc2cc(F)ccc2OC)C[C@H]1C ZINC000187909680 236336715 /nfs/dbraw/zinc/33/67/15/236336715.db2.gz LWAMWLXUJZAPLP-CYBMUJFWSA-N 0 0 339.411 1.696 10 0 EDAERN Cn1nccc1C(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2)C1 ZINC000035526788 213035222 /nfs/dbraw/zinc/03/52/22/213035222.db2.gz IFJYYVCUFABJRW-LJQANCHMSA-N 0 0 340.427 1.979 10 0 EDAERN COc1cccc(OCC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000127442431 138616078 /nfs/dbraw/zinc/61/60/78/138616078.db2.gz VGEJGSBUQMUIFU-CQSZACIVSA-N 0 0 330.388 1.604 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(-c2ccccc2F)n1 ZINC000091783071 283356652 /nfs/dbraw/zinc/35/66/52/283356652.db2.gz WHXLVUZSFRMFNZ-GFCCVEGCSA-N 0 0 335.360 1.276 10 0 EDAERN COC(=O)[C@H](C)CN(CCCNC(C)=O)C(=O)c1ccc(F)cc1 ZINC000071608602 215788379 /nfs/dbraw/zinc/78/83/79/215788379.db2.gz MFGDVINTZDFIFB-GFCCVEGCSA-N 0 0 338.379 1.603 10 0 EDAERN CCN(C[C@H](C)C(=O)OC)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000071619668 215788755 /nfs/dbraw/zinc/78/87/55/215788755.db2.gz OQRPELFFQVALNF-NSHDSACASA-N 0 0 339.388 1.984 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCC(C)(C)CO)CC2 ZINC000175130867 138691917 /nfs/dbraw/zinc/69/19/17/138691917.db2.gz GDALNLJXTIDKQG-CYBMUJFWSA-N 0 0 337.468 1.814 10 0 EDAERN CN(CC(C)(C)O)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000177164251 138725065 /nfs/dbraw/zinc/72/50/65/138725065.db2.gz JOFMZXCWDFHGON-GFCCVEGCSA-N 0 0 326.418 1.317 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000189598603 237057483 /nfs/dbraw/zinc/05/74/83/237057483.db2.gz GEJUXOYLZVRSFL-LLVKDONJSA-N 0 0 330.340 1.814 10 0 EDAERN Nn1c(=O)cnnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000032521138 212807363 /nfs/dbraw/zinc/80/73/63/212807363.db2.gz SMRJJQJKMHXHHC-UHFFFAOYSA-N 0 0 327.369 1.236 10 0 EDAERN NC(=O)c1cc2c(nc1-c1cc(NCCO)nc3[nH]ccc31)CCC2 ZINC000072164112 216052998 /nfs/dbraw/zinc/05/29/98/216052998.db2.gz PEEDKTHMCVXPPH-UHFFFAOYSA-N 0 0 337.383 1.617 10 0 EDAERN CS(=O)(=O)c1ccc(CC(=O)NCc2cnn3ccccc23)cc1 ZINC000072166231 216056236 /nfs/dbraw/zinc/05/62/36/216056236.db2.gz FPNMSKXXPMRRRA-UHFFFAOYSA-N 0 0 343.408 1.597 10 0 EDAERN CCn1nc(C)c(S(=O)(=O)NCCCn2nc(C)cc2C)c1C ZINC000072239042 216078482 /nfs/dbraw/zinc/07/84/82/216078482.db2.gz DQJPMUCFPFRVPM-UHFFFAOYSA-N 0 0 339.465 1.702 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)/C=C/c2ccccc2)n1 ZINC000183747918 138787539 /nfs/dbraw/zinc/78/75/39/138787539.db2.gz HKMZFVHDGVQMOV-RNVIBTMRSA-N 0 0 335.385 1.752 10 0 EDAERN Cc1cccc(F)c1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000184943755 138799165 /nfs/dbraw/zinc/79/91/65/138799165.db2.gz DNLJWXKYKDMRRV-ZDUSSCGKSA-N 0 0 328.409 1.229 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190130657 238238840 /nfs/dbraw/zinc/23/88/40/238238840.db2.gz YGLGCWJIQBDTIH-CQSZACIVSA-N 0 0 343.387 1.814 10 0 EDAERN COc1ccc(Br)cc1[C@H](C(=O)[O-])N1CC[NH2+]CC1 ZINC000037963556 213176329 /nfs/dbraw/zinc/17/63/29/213176329.db2.gz PKMPYVRWGXTCDI-GFCCVEGCSA-N 0 0 329.194 1.489 10 0 EDAERN CN(C(=O)[C@H]1CCC[C@@H]1C(=O)N(C)c1cnn(C)c1)c1cnn(C)c1 ZINC000131063268 223201707 /nfs/dbraw/zinc/20/17/07/223201707.db2.gz MANWSQOIMJTHEK-GJZGRUSLSA-N 0 0 344.419 1.196 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000190326481 238393077 /nfs/dbraw/zinc/39/30/77/238393077.db2.gz XOEMIYFUWVHOHE-ZFWWWQNUSA-N 0 0 345.424 1.625 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130919809 223188012 /nfs/dbraw/zinc/18/80/12/223188012.db2.gz AIGZSUAWULDFQV-JKSUJKDBSA-N 0 0 338.473 1.969 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)NC(C)C ZINC000072706188 216295371 /nfs/dbraw/zinc/29/53/71/216295371.db2.gz WDGHTLNCQNJJBA-PBHICJAKSA-N 0 0 347.459 1.814 10 0 EDAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000131912688 223283204 /nfs/dbraw/zinc/28/32/04/223283204.db2.gz TZSXFVNBRWNJTB-GFCCVEGCSA-N 0 0 328.420 1.659 10 0 EDAERN COCCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109094296 219946819 /nfs/dbraw/zinc/94/68/19/219946819.db2.gz APMITYBPERGAIZ-CHWSQXEVSA-N 0 0 340.370 1.679 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccnn1CCc1ccccc1 ZINC000188832671 138853229 /nfs/dbraw/zinc/85/32/29/138853229.db2.gz XNTABBZMRNDQKK-HZPDHXFCSA-N 0 0 342.399 1.046 10 0 EDAERN CCn1cc(Br)cc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000188839542 138853295 /nfs/dbraw/zinc/85/32/95/138853295.db2.gz NNBNSCLNSWBNJD-SECBINFHSA-N 0 0 328.210 1.621 10 0 EDAERN O=C(CC1OCCCO1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000189375258 138869768 /nfs/dbraw/zinc/86/97/68/138869768.db2.gz MIUHAMDAWKGGOQ-SMDDNHRTSA-N 0 0 327.327 1.752 10 0 EDAERN O=C(NC1CN(C(=O)c2ccnc(OCC(F)F)c2)C1)C1CC1 ZINC000189457795 138874248 /nfs/dbraw/zinc/87/42/48/138874248.db2.gz QZUBYWAMGHGRNX-UHFFFAOYSA-N 0 0 325.315 1.076 10 0 EDAERN Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(=O)[nH]1 ZINC000132735599 223358694 /nfs/dbraw/zinc/35/86/94/223358694.db2.gz HGJLJXLJZHDSBO-NSHDSACASA-N 0 0 334.397 1.990 10 0 EDAERN O=C(NCc1cccc(COCC(F)(F)F)c1)[C@@H]1CNC(=O)C1 ZINC000132818054 223364718 /nfs/dbraw/zinc/36/47/18/223364718.db2.gz SAWXYUQGPDCTNE-LBPRGKRZSA-N 0 0 330.306 1.518 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000190676995 138895101 /nfs/dbraw/zinc/89/51/01/138895101.db2.gz TVRIGCKKZHEOBO-VIFPVBQESA-N 0 0 343.305 1.381 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000191250910 138908799 /nfs/dbraw/zinc/90/87/99/138908799.db2.gz NOBGZUKRLOGVNA-ZDUSSCGKSA-N 0 0 327.388 1.292 10 0 EDAERN CCOC(=O)[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)CC[C@@]1(C)O ZINC000019974538 212092388 /nfs/dbraw/zinc/09/23/88/212092388.db2.gz DUJJLVJTVQPWIJ-DZGCQCFKSA-N 0 0 327.402 1.072 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(C(N)=O)c1 ZINC000249747405 284191491 /nfs/dbraw/zinc/19/14/91/284191491.db2.gz NQEUPBBGGLHBGM-DFBGVHRSSA-N 0 0 330.384 1.732 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)(F)F)cc1 ZINC000040862458 213394742 /nfs/dbraw/zinc/39/47/42/213394742.db2.gz NSKMKXMJGAHWST-UHFFFAOYSA-N 0 0 325.308 1.435 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cnn2c1CCCC2 ZINC000179100658 284217754 /nfs/dbraw/zinc/21/77/54/284217754.db2.gz GURKOWJLGMOEHM-AWEZNQCLSA-N 0 0 345.424 1.868 10 0 EDAERN CCc1nnc(CN2CCN(Cc3ccc(OC)c(F)c3)CC2)n1C ZINC000195030882 139005166 /nfs/dbraw/zinc/00/51/66/139005166.db2.gz LIIRAEXFDBQKOM-UHFFFAOYSA-N 0 0 347.438 1.843 10 0 EDAERN CC(C)n1nnnc1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000195035295 139005362 /nfs/dbraw/zinc/00/53/62/139005362.db2.gz QFWZOHADJZFWQB-UHFFFAOYSA-N 0 0 342.447 1.782 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000195220978 139010455 /nfs/dbraw/zinc/01/04/55/139010455.db2.gz CPPFEVAPAQMZKR-HUUCEWRRSA-N 0 0 338.429 1.259 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H]1CSCCS1)CC2 ZINC000195259613 139011685 /nfs/dbraw/zinc/01/16/85/139011685.db2.gz GLCOWZFZMLMLCM-QWRGUYRKSA-N 0 0 326.491 1.681 10 0 EDAERN C[C@@H](CNC(=O)[C@@H]1SCCc2sccc21)N1CCOCC1 ZINC000079506411 217237159 /nfs/dbraw/zinc/23/71/59/217237159.db2.gz KFXZTEQOBZQUIV-SMDDNHRTSA-N 0 0 326.487 1.915 10 0 EDAERN C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083691 220097433 /nfs/dbraw/zinc/09/74/33/220097433.db2.gz LHWVYOOOVUVYDR-XJKSGUPXSA-N 0 0 333.363 1.717 10 0 EDAERN Cc1cccc(CNC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111229300 220118180 /nfs/dbraw/zinc/11/81/80/220118180.db2.gz VEBYFXADBUCBIR-QGZVFWFLSA-N 0 0 328.416 1.209 10 0 EDAERN CN(c1cccnn1)C1CCN(CC(=O)NCc2cccnc2)CC1 ZINC000111227456 220116371 /nfs/dbraw/zinc/11/63/71/220116371.db2.gz KNDZWJPPYZEZDT-UHFFFAOYSA-N 0 0 340.431 1.089 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)CCC(C)C)CCO2)n1 ZINC000111344828 220142312 /nfs/dbraw/zinc/14/23/12/220142312.db2.gz SMGISRVUNMBRTN-OAHLLOKOSA-N 0 0 329.466 1.577 10 0 EDAERN CN(CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000111808738 220194382 /nfs/dbraw/zinc/19/43/82/220194382.db2.gz ZAOCSXBINQSZIM-QGZVFWFLSA-N 0 0 343.431 1.430 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000245464255 139076093 /nfs/dbraw/zinc/07/60/93/139076093.db2.gz PHJVXJGOCZTLBX-BZUAXINKSA-N 0 0 349.431 1.398 10 0 EDAERN CC[C@@H]1CN(C(=O)CSCC(F)(F)F)CCN1C[C@H](C)O ZINC000245581038 139080045 /nfs/dbraw/zinc/08/00/45/139080045.db2.gz IYYAZPUZTAIRLV-WDEREUQCSA-N 0 0 328.400 1.586 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)c1 ZINC000112093672 220240743 /nfs/dbraw/zinc/24/07/43/220240743.db2.gz PAHQPSIPQBJKPH-INIZCTEOSA-N 0 0 335.429 1.422 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCCCc3c[nH]nc3C)CCO2)c1 ZINC000112130408 220249306 /nfs/dbraw/zinc/24/93/06/220249306.db2.gz RLPMYDLBXVYMAP-MRXNPFEDSA-N 0 0 346.435 1.266 10 0 EDAERN CCn1c(C)nnc1Cn1nnc(-c2ccc(C(=O)OC)cc2)n1 ZINC000151164349 223787724 /nfs/dbraw/zinc/78/77/24/223787724.db2.gz PORHXLKSZROLLR-UHFFFAOYSA-N 0 0 327.348 1.095 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H](C)[C@@H](C)C3)C2=O)n(C)n1 ZINC000245858848 139087629 /nfs/dbraw/zinc/08/76/29/139087629.db2.gz FAELPFMCNVAROX-YDHLFZDLSA-N 0 0 347.463 1.911 10 0 EDAERN CCCOC(=O)CCC(=O)NC(=S)Nc1ccc(C(N)=O)cc1 ZINC000013997048 211668754 /nfs/dbraw/zinc/66/87/54/211668754.db2.gz LRYUWDFVTZTWSR-UHFFFAOYSA-N 0 0 337.401 1.332 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)[C@H](C)N1CCOCC1 ZINC000246335761 139104715 /nfs/dbraw/zinc/10/47/15/139104715.db2.gz BJSXVLOAZGZULZ-DZKIICNBSA-N 0 0 333.432 1.919 10 0 EDAERN CN1Cc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3CO)cc2C1 ZINC000246484016 139110345 /nfs/dbraw/zinc/11/03/45/139110345.db2.gz QTOKTAFGHNCNFE-BBRMVZONSA-N 0 0 331.416 1.238 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)c3nnnn3-c3ccccc3)CCO2)[nH]1 ZINC000246897642 139126045 /nfs/dbraw/zinc/12/60/45/139126045.db2.gz HLEQJYNJJYMXHH-BXUZGUMPSA-N 0 0 340.391 1.223 10 0 EDAERN C[C@H](CO)Nc1cc2c(c(I)c1)C(=O)NC2 ZINC000089211496 217775784 /nfs/dbraw/zinc/77/57/84/217775784.db2.gz SPZWWVMMLMISSX-ZCFIWIBFSA-N 0 0 332.141 1.327 10 0 EDAERN C[C@H](CO)Oc1cc2c(c(I)c1)C(=O)NC2 ZINC000089211485 217776060 /nfs/dbraw/zinc/77/60/60/217776060.db2.gz NFRUUBIEAJLCOH-ZCFIWIBFSA-N 0 0 333.125 1.294 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN([C@H](C)C(=O)NCCC(C)C)CCO2)n1 ZINC000247129703 139136987 /nfs/dbraw/zinc/13/69/87/139136987.db2.gz KGUMZNUAKVYRML-IAGOWNOFSA-N 0 0 336.480 1.752 10 0 EDAERN Cc1cnn(C[C@H]2CN([C@H](C)C(=O)NCc3ccccc3)CCO2)c1 ZINC000247392073 139147249 /nfs/dbraw/zinc/14/72/49/139147249.db2.gz XEKQULRXZQCCIR-SJLPKXTDSA-N 0 0 342.443 1.597 10 0 EDAERN CS(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000247404218 139147697 /nfs/dbraw/zinc/14/76/97/139147697.db2.gz MUZCDBCAFZITCK-LSDHHAIUSA-N 0 0 328.478 1.697 10 0 EDAERN CC(C)(C)CN1C[C@@H](NC(=O)Cc2cn3ccsc3n2)CC1=O ZINC000012204363 211321371 /nfs/dbraw/zinc/32/13/71/211321371.db2.gz BFFIRTDSNQVXJN-LBPRGKRZSA-N 0 0 334.445 1.702 10 0 EDAERN CCn1cc(C(=O)C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 ZINC000091776417 218064164 /nfs/dbraw/zinc/06/41/64/218064164.db2.gz QGHRULXHJQSRBC-SWLSCSKDSA-N 0 0 349.337 1.698 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCCOc1cccc2ccccc21 ZINC000091779068 218064477 /nfs/dbraw/zinc/06/44/77/218064477.db2.gz MTWUJUWLKPXSHB-MRXNPFEDSA-N 0 0 342.395 1.712 10 0 EDAERN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091785192 218065815 /nfs/dbraw/zinc/06/58/15/218065815.db2.gz ATGQVNOMGBRTPB-DOMZBBRYSA-N 0 0 334.416 1.464 10 0 EDAERN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783055 218065979 /nfs/dbraw/zinc/06/59/79/218065979.db2.gz VLWAOMLAYDQDOK-CYBMUJFWSA-N 0 0 345.424 1.369 10 0 EDAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092229990 218127659 /nfs/dbraw/zinc/12/76/59/218127659.db2.gz MZCXWGVTPQREKR-BXUZGUMPSA-N 0 0 339.823 1.046 10 0 EDAERN CS(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000009844646 211127485 /nfs/dbraw/zinc/12/74/85/211127485.db2.gz MSXHOXLHXULZOO-UHFFFAOYSA-N 0 0 327.793 1.113 10 0 EDAERN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cnn3ccncc23)C[C@@H](C)O1 ZINC000248979344 139182393 /nfs/dbraw/zinc/18/23/93/139182393.db2.gz RVIXSVATZVAFGT-RBSFLKMASA-N 0 0 343.431 1.443 10 0 EDAERN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccno1 ZINC000009625709 211108819 /nfs/dbraw/zinc/10/88/19/211108819.db2.gz IIGDZJFDSLUSJB-ICFOKQHNSA-N 0 0 331.353 1.913 10 0 EDAERN CCO[C@@H]1C[C@@](CO)(NC(=O)N[C@H]2COc3ccccc32)C1(C)C ZINC000249125604 139186620 /nfs/dbraw/zinc/18/66/20/139186620.db2.gz QSRVCQLGEDLVCB-JOQOYGCGSA-N 0 0 334.416 1.985 10 0 EDAERN CNC(=O)CSc1nc2c(cnn2-c2ccccc2C)c(=O)[nH]1 ZINC000009522288 211097225 /nfs/dbraw/zinc/09/72/25/211097225.db2.gz IZLWBMCDOAVLNE-UHFFFAOYSA-N 0 0 329.385 1.668 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)C(C)(C)C ZINC000249245841 139189627 /nfs/dbraw/zinc/18/96/27/139189627.db2.gz UIIGWZMOSZBEEC-RDBSUJKOSA-N 0 0 338.448 1.872 10 0 EDAERN CCNC(=O)NC(=O)[C@H](C)Oc1ccc(C=O)cc1Br ZINC000009363478 211073025 /nfs/dbraw/zinc/07/30/25/211073025.db2.gz AHYHQGIFLAMKGV-QMMMGPOBSA-N 0 0 343.177 1.875 10 0 EDAERN CNS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(Br)cc1 ZINC000095076037 218274141 /nfs/dbraw/zinc/27/41/41/218274141.db2.gz KCCLABWPFALDIG-DGCLKSJQSA-N 0 0 348.262 1.946 10 0 EDAERN COC[C@H](C)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000166476434 532958699 /nfs/dbraw/zinc/95/86/99/532958699.db2.gz DNWPFWDFVRGEDL-WDEREUQCSA-N 0 0 346.221 1.588 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000181628805 533070794 /nfs/dbraw/zinc/07/07/94/533070794.db2.gz OJWRPXQZJXNRLD-CHWSQXEVSA-N 0 0 347.346 1.734 10 0 EDAERN COc1ccc(Cl)cc1NCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648125 220362963 /nfs/dbraw/zinc/36/29/63/220362963.db2.gz DTHGXOAIZOCCTN-GFCCVEGCSA-N 0 0 349.822 1.873 10 0 EDAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)CCC(C)(C)C)CC2)n1 ZINC000113291771 220515098 /nfs/dbraw/zinc/51/50/98/220515098.db2.gz TYTYFSIREYNEEJ-LBPRGKRZSA-N 0 0 344.481 1.823 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCCC2 ZINC000113298597 220516362 /nfs/dbraw/zinc/51/63/62/220516362.db2.gz YTHXPHCOXIPSDP-AWEZNQCLSA-N 0 0 332.429 1.450 10 0 EDAERN COc1ccc([C@H](C)NC(=O)c2cc(C(N)=O)cn2C)cc1OC ZINC000154463575 533164323 /nfs/dbraw/zinc/16/43/23/533164323.db2.gz NGLYIRBVPUUZJC-JTQLQIEISA-N 0 0 331.372 1.632 10 0 EDAERN COC(=O)[C@H](C)CN(C)C(=O)c1cc(N)cc(Br)c1 ZINC000165658835 533166601 /nfs/dbraw/zinc/16/66/01/533166601.db2.gz ANBABGPFMOKOOE-MRVPVSSYSA-N 0 0 329.194 1.912 10 0 EDAERN O=C(Nc1ccc(-c2ncco2)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000153895235 224172988 /nfs/dbraw/zinc/17/29/88/224172988.db2.gz PZJXJRSWAWLULH-DZGCQCFKSA-N 0 0 343.383 1.947 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCOc1ccccc1)CC2 ZINC000114975090 220795958 /nfs/dbraw/zinc/79/59/58/220795958.db2.gz LNEDQPBJVMGIKR-CQSZACIVSA-N 0 0 343.431 1.876 10 0 EDAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116453542 220963974 /nfs/dbraw/zinc/96/39/74/220963974.db2.gz VERUDQYVHIVHNS-CYBMUJFWSA-N 0 0 340.387 1.823 10 0 EDAERN C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000116933887 221012190 /nfs/dbraw/zinc/01/21/90/221012190.db2.gz PFQINDXOOCMDCQ-GWCFXTLKSA-N 0 0 345.852 1.734 10 0 EDAERN COCCN1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000117292542 221044774 /nfs/dbraw/zinc/04/47/74/221044774.db2.gz YVCYOMQQSDHIBI-HNNXBMFYSA-N 0 0 348.443 1.837 10 0 EDAERN COCCN1CCN(C(=O)CCNC(=O)c2ccsc2)C[C@H]1C ZINC000117295693 221047935 /nfs/dbraw/zinc/04/79/35/221047935.db2.gz SYHUJSBOPBEYEN-CYBMUJFWSA-N 0 0 339.461 1.047 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)C[C@H]1C ZINC000117296803 221047975 /nfs/dbraw/zinc/04/79/75/221047975.db2.gz PIDTULOMJSPCEA-ZTFGCOKTSA-N 0 0 332.444 1.978 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cnc3ccccc3c2O)CCN1CCOC ZINC000117307729 221050576 /nfs/dbraw/zinc/05/05/76/221050576.db2.gz FAPLXQJMORBQRK-CQSZACIVSA-N 0 0 343.427 1.711 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000117368494 221057606 /nfs/dbraw/zinc/05/76/06/221057606.db2.gz XQRCSBGOCOYMKR-AWEZNQCLSA-N 0 0 344.452 1.698 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2)CCN1CCOC ZINC000117526890 221074666 /nfs/dbraw/zinc/07/46/66/221074666.db2.gz CSTPFADCRLKESG-MRXNPFEDSA-N 0 0 333.432 1.503 10 0 EDAERN CC(=O)Nc1cc(NC(=O)C(=O)NCCn2cc(C)cn2)ccc1C ZINC000118134145 221128493 /nfs/dbraw/zinc/12/84/93/221128493.db2.gz OQORROYRAMLWTB-UHFFFAOYSA-N 0 0 343.387 1.213 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000118115238 221120443 /nfs/dbraw/zinc/12/04/43/221120443.db2.gz GMQPMMSMDPNLJK-JTQLQIEISA-N 0 0 346.214 1.379 10 0 EDAERN Cc1ccc(C(=O)NC[C@H](C)N2CCOCC2)c(Br)n1 ZINC000119045575 221231034 /nfs/dbraw/zinc/23/10/34/221231034.db2.gz OBJRZDPECKDVFW-NSHDSACASA-N 0 0 342.237 1.603 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(C)n2)C12CCCC2 ZINC000119077107 221238562 /nfs/dbraw/zinc/23/85/62/221238562.db2.gz LHYBGUQWJFPVHG-CHWSQXEVSA-N 0 0 334.420 1.555 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(F)cc1Cl ZINC000119303483 221290144 /nfs/dbraw/zinc/29/01/44/221290144.db2.gz IRJFEYZZLXDADO-NSHDSACASA-N 0 0 331.775 1.294 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000119337457 221297491 /nfs/dbraw/zinc/29/74/91/221297491.db2.gz PLPRJIOIFKRCOW-GFCCVEGCSA-N 0 0 325.796 1.872 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)n(C)n1 ZINC000119441330 221322061 /nfs/dbraw/zinc/32/20/61/221322061.db2.gz ABLLSDNPRDMMHH-UHFFFAOYSA-N 0 0 344.419 1.061 10 0 EDAERN O=C(c1ccnc(-n2cncn2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119504151 221335475 /nfs/dbraw/zinc/33/54/75/221335475.db2.gz WNELASXCAWANPK-RHSMWYFYSA-N 0 0 327.388 1.430 10 0 EDAERN C[C@@H](NC(=O)NCC1(CO)COC1)c1ccccc1Br ZINC000120075068 221474643 /nfs/dbraw/zinc/47/46/43/221474643.db2.gz XJOJDBBLXKJESV-SNVBAGLBSA-N 0 0 343.221 1.818 10 0 EDAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000155159413 224369087 /nfs/dbraw/zinc/36/90/87/224369087.db2.gz BXCCJWKRUNVZRO-CYBMUJFWSA-N 0 0 332.381 1.506 10 0 EDAERN CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(C)o2)Cc2cncn21 ZINC000248083500 257665274 /nfs/dbraw/zinc/66/52/74/257665274.db2.gz JSBOBGVBRTYBJG-CQSZACIVSA-N 0 0 338.433 1.281 10 0 EDAERN COC[C@]12CCO[C@H]1CCN(S(=O)(=O)c1ccccc1F)C2 ZINC000247917755 257673825 /nfs/dbraw/zinc/67/38/25/257673825.db2.gz ZTIDJJRFWQPZAH-LSDHHAIUSA-N 0 0 329.393 1.642 10 0 EDAERN CCS(=O)(=O)N1CC[C@@H](OCC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000248090471 257665826 /nfs/dbraw/zinc/66/58/26/257665826.db2.gz CCGJTKIKQDSOFK-HUUCEWRRSA-N 0 0 327.450 1.182 10 0 EDAERN COCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000171399857 533250660 /nfs/dbraw/zinc/25/06/60/533250660.db2.gz JBKJNRFRKWRWPH-MRXNPFEDSA-N 0 0 342.399 1.869 10 0 EDAERN COc1ncccc1CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181456791 533261386 /nfs/dbraw/zinc/26/13/86/533261386.db2.gz PDHNQDLDGDPHKS-ZDUSSCGKSA-N 0 0 344.419 1.619 10 0 EDAERN C[C@@H](C(=O)NCCc1cccs1)N1CCC[C@H](n2cncn2)C1 ZINC000171635479 533266180 /nfs/dbraw/zinc/26/61/80/533266180.db2.gz XRKOCBCIPVMAMZ-KBPBESRZSA-N 0 0 333.461 1.724 10 0 EDAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)c1cccs1 ZINC000184795501 533292548 /nfs/dbraw/zinc/29/25/48/533292548.db2.gz SAHJIVKEVYQHGV-SNVBAGLBSA-N 0 0 339.442 1.884 10 0 EDAERN COC(=O)[C@H]1CCCC[C@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC000170533866 533378252 /nfs/dbraw/zinc/37/82/52/533378252.db2.gz REZZGCNRKNHMBP-GJZGRUSLSA-N 0 0 332.400 1.512 10 0 EDAERN CS(=O)(=O)[C@H]1CCC[C@@]1(O)Cc1ccc(Br)cn1 ZINC000167686146 533434524 /nfs/dbraw/zinc/43/45/24/533434524.db2.gz RRYONEXHLHGRHL-NWDGAFQWSA-N 0 0 334.235 1.715 10 0 EDAERN COc1cccc(CO[C@H](C)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177577463 533530823 /nfs/dbraw/zinc/53/08/23/533530823.db2.gz HRKPKDCYBAFIBP-DOMZBBRYSA-N 0 0 330.388 1.843 10 0 EDAERN COC(=O)[C@H]1C[C@H]1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000171183355 533553233 /nfs/dbraw/zinc/55/32/33/533553233.db2.gz HKWFNLHDNCAWLF-BDAKNGLRSA-N 0 0 345.182 1.857 10 0 EDAERN COc1ccc(CN2CC[C@H](NC(=O)C[C@H](O)C(C)C)C2=O)cc1 ZINC000178955569 533568226 /nfs/dbraw/zinc/56/82/26/533568226.db2.gz FPWHIOMQPPFHTC-HOTGVXAUSA-N 0 0 334.416 1.319 10 0 EDAERN C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190105184 533658195 /nfs/dbraw/zinc/65/81/95/533658195.db2.gz WZAZVDPYCZEYBT-LBPRGKRZSA-N 0 0 331.416 1.633 10 0 EDAERN CN1C(=O)CCc2cc(S(=O)(=O)NCC3(O)CCCC3)ccc21 ZINC000062158167 132435193 /nfs/dbraw/zinc/43/51/93/132435193.db2.gz WKHOFZICIHTKGQ-UHFFFAOYSA-N 0 0 338.429 1.179 10 0 EDAERN COC(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000118674142 135599329 /nfs/dbraw/zinc/59/93/29/135599329.db2.gz QFGRIVXICNNZAW-OAHLLOKOSA-N 0 0 340.383 1.662 10 0 EDAERN Cc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC1CC1 ZINC000012208442 135693074 /nfs/dbraw/zinc/69/30/74/135693074.db2.gz GAEVGDFUUNJRJL-UHFFFAOYSA-N 0 0 344.458 1.366 10 0 EDAERN O=C(CNC(=O)c1ccco1)Nc1ccccc1N1CCOCC1 ZINC000015504860 135707738 /nfs/dbraw/zinc/70/77/38/135707738.db2.gz CRBMTBJYXWWGJM-UHFFFAOYSA-N 0 0 329.356 1.485 10 0 EDAERN O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CCO[C@H]2CCCC[C@H]21 ZINC000330145911 304302346 /nfs/dbraw/zinc/30/23/46/304302346.db2.gz HPCFDDHRIUJQHW-MJBXVCDLSA-N 0 0 327.446 1.371 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000329810068 140766531 /nfs/dbraw/zinc/76/65/31/140766531.db2.gz BGMNJTVLOABCCY-UPJWGTAASA-N 0 0 336.392 1.956 10 0 EDAERN Cc1nnc(CN2CCN(C(=O)Nc3ccc4cc[nH]c4c3)CC2)[nH]1 ZINC000333021964 141251375 /nfs/dbraw/zinc/25/13/75/141251375.db2.gz JKTCKEKQVOLISP-UHFFFAOYSA-N 0 0 339.403 1.944 10 0 EDAERN COc1ncnc(N(C)C)c1NC(=O)C[C@H](C)N1CCCCC1=O ZINC000333098578 141263620 /nfs/dbraw/zinc/26/36/20/141263620.db2.gz PMWOMDPTWHXBHW-NSHDSACASA-N 0 0 335.408 1.281 10 0 EDAERN C[C@H]1CCN(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)[C@H](C[NH3+])C1 ZINC000333198104 141279809 /nfs/dbraw/zinc/27/98/09/141279809.db2.gz WUJYAUGFUIIHGG-FZMZJTMJSA-N 0 0 337.445 1.608 10 0 EDAERN C[C@@H]1C[C@@H](NC(=O)Cn2ncc(=O)c3ccccc32)C[N@@H+]1C1CC1 ZINC000333366956 141306431 /nfs/dbraw/zinc/30/64/31/141306431.db2.gz YGDCNYPBYPPMJD-CHWSQXEVSA-N 0 0 326.400 1.138 10 0 EDAERN CN1C(=O)NCC12CCN(C(=O)[C@@H]1CC(=O)Nc3ccccc31)CC2 ZINC000333425079 141315973 /nfs/dbraw/zinc/31/59/73/141315973.db2.gz JVPDVOBBUGGMEA-CYBMUJFWSA-N 0 0 342.399 1.129 10 0 EDAERN C[C@@H]1CN(C(=O)NCCC2CCOCC2)CC2(CCOCC2)O1 ZINC000333488515 141325523 /nfs/dbraw/zinc/32/55/23/141325523.db2.gz YZYRRSYSAOKGPW-CQSZACIVSA-N 0 0 326.437 1.783 10 0 EDAERN C[C@@H]1CN(c2ccnc(C(=O)N3CC[C@H](C)[C@H](O)C3)c2)C[C@@H](C)O1 ZINC000333774898 141379029 /nfs/dbraw/zinc/37/90/29/141379029.db2.gz YXJGMJHXQARXOR-ZOMKSWQUSA-N 0 0 333.432 1.538 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000154439707 287002297 /nfs/dbraw/zinc/00/22/97/287002297.db2.gz JHTFFKVAMJLTJY-DGCLKSJQSA-N 0 0 330.388 1.667 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)CC[S@](=O)C1 ZINC000333487785 296868994 /nfs/dbraw/zinc/86/89/94/296868994.db2.gz UDPXAUNPPPEAOA-CYULLINESA-N 0 0 340.489 1.395 10 0 EDAERN CC(C)c1nncn1CCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000073832789 287265280 /nfs/dbraw/zinc/26/52/80/287265280.db2.gz VJWGDHGPSCVWKF-ZDUSSCGKSA-N 0 0 344.419 1.728 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000081589116 287314157 /nfs/dbraw/zinc/31/41/57/287314157.db2.gz BDGWPAUPJKORKY-LLVKDONJSA-N 0 0 332.408 1.851 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)Cc3ccccc3C)CCO2)c1 ZINC000112094366 287339485 /nfs/dbraw/zinc/33/94/85/287339485.db2.gz QAVWGUOHLLRVSC-QGZVFWFLSA-N 0 0 349.456 1.731 10 0 EDAERN NS(=O)(=O)c1cn(Cc2cccc(F)c2Br)cn1 ZINC000158004287 224931139 /nfs/dbraw/zinc/93/11/39/224931139.db2.gz BHZMMQCJYMFJQD-UHFFFAOYSA-N 0 0 334.170 1.480 10 0 EDAERN O=C(CN1C(=O)C(=O)c2cccc(Br)c21)[C@@H]1CCOC1 ZINC000158111241 224952692 /nfs/dbraw/zinc/95/26/92/224952692.db2.gz MJXIJLWHWIEMBG-MRVPVSSYSA-N 0 0 338.157 1.584 10 0 EDAERN O=C1CN(Cc2cccc(F)c2Br)C(=O)[C@@H](C2CC2)N1 ZINC000157831086 224895646 /nfs/dbraw/zinc/89/56/46/224895646.db2.gz PQABVZXDNKCINK-CYBMUJFWSA-N 0 0 341.180 1.825 10 0 EDAERN O=c1cc(I)cnn1Cc1nc(C2CC2)no1 ZINC000158581129 225047341 /nfs/dbraw/zinc/04/73/41/225047341.db2.gz MPEFLONIRRJRPP-UHFFFAOYSA-N 0 0 344.112 1.157 10 0 EDAERN C[C@H]([NH3+])[C@H]1CCCCN1c1nc[n-]c(=O)c1I ZINC000164300311 226063335 /nfs/dbraw/zinc/06/33/35/226063335.db2.gz PLNAMWUQKSCUMJ-JGVFFNPUSA-N 0 0 348.188 1.081 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1c(F)cccc1F ZINC000164329511 226064631 /nfs/dbraw/zinc/06/46/31/226064631.db2.gz PHZWKXMOQVXZNU-CYBMUJFWSA-N 0 0 342.371 1.819 10 0 EDAERN Nc1ccc(Br)cc1[S@@](=O)CCN1CCOCC1 ZINC000167101261 226179857 /nfs/dbraw/zinc/17/98/57/226179857.db2.gz HTRGTDGOZYVIMX-GOSISDBHSA-N 0 0 333.251 1.471 10 0 EDAERN Cc1c(N)cnc(N[C@H](C)CN2CCOCC2)c1Br ZINC000165497770 226126166 /nfs/dbraw/zinc/12/61/66/226126166.db2.gz ORNSGROZSRUPNR-SECBINFHSA-N 0 0 329.242 1.867 10 0 EDAERN C[C@H]1C[C@H](C)N(C(=O)c2cc(Cl)cc(S(N)(=O)=O)c2F)C1 ZINC000165602317 226130580 /nfs/dbraw/zinc/13/05/80/226130580.db2.gz SWJHRLZATDEIOM-YUMQZZPRSA-N 0 0 334.800 1.997 10 0 EDAERN C[C@H](C(=O)NC1CC1)S(=O)(=O)c1ccc(Br)cc1N ZINC000165761994 226135013 /nfs/dbraw/zinc/13/50/13/226135013.db2.gz AMTVXRZWWAUBGH-SSDOTTSWSA-N 0 0 347.234 1.472 10 0 EDAERN Cc1ccc(N)c([S@@](=O)C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000165836236 226138016 /nfs/dbraw/zinc/13/80/16/226138016.db2.gz ZTNLXKVLDYDUHF-FKIZINRSSA-N 0 0 330.475 1.356 10 0 EDAERN Nc1cc(Br)cc(C(=O)NCCC(=O)NC2CC2)c1 ZINC000166111033 226147743 /nfs/dbraw/zinc/14/77/43/226147743.db2.gz HULUHGOMCKOASI-UHFFFAOYSA-N 0 0 326.194 1.430 10 0 EDAERN C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000168696864 226221822 /nfs/dbraw/zinc/22/18/22/226221822.db2.gz PKGHFQYGIMKYFA-FWCARGHBSA-N 0 0 345.273 1.621 10 0 EDAERN COCCN1C(=O)C(c2ccccc2)=C(N2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000170039588 226599176 /nfs/dbraw/zinc/59/91/76/226599176.db2.gz RBLQWSDCQDAAAI-OKILXGFUSA-N 0 0 344.411 1.522 10 0 EDAERN COC[C@@H](C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000171449218 227085670 /nfs/dbraw/zinc/08/56/70/227085670.db2.gz RPJJPQUCJBBIPC-LLVKDONJSA-N 0 0 342.237 1.775 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cn(CCC(C)C)nn2)n1 ZINC000120970982 221723269 /nfs/dbraw/zinc/72/32/69/221723269.db2.gz GMQXJOOCQCTFNP-CYBMUJFWSA-N 0 0 334.380 1.229 10 0 EDAERN Cc1cc(CN2CCO[C@H](Cn3cccn3)C2)ccc1-n1cncn1 ZINC000122161701 222027325 /nfs/dbraw/zinc/02/73/25/222027325.db2.gz QSDZJTNBIDLFBD-KRWDZBQOSA-N 0 0 338.415 1.673 10 0 EDAERN COc1ccc(CNC(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000122081778 222009998 /nfs/dbraw/zinc/00/99/98/222009998.db2.gz UTDNLYTUYPFYSG-UHFFFAOYSA-N 0 0 329.404 1.909 10 0 EDAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCC[C@H](n2cncn2)C1 ZINC000122504458 222101599 /nfs/dbraw/zinc/10/15/99/222101599.db2.gz BSBNJKJOSPKLLS-LBPRGKRZSA-N 0 0 343.362 1.779 10 0 EDAERN COc1ccc([C@H](CCO)NC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000123049539 222206890 /nfs/dbraw/zinc/20/68/90/222206890.db2.gz MAXVBUGXAURLTF-LSDHHAIUSA-N 0 0 345.403 1.545 10 0 EDAERN C[C@@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000123228896 222239311 /nfs/dbraw/zinc/23/93/11/222239311.db2.gz QRAKMPWAJJYVPT-SWLSCSKDSA-N 0 0 341.839 1.393 10 0 EDAERN CCn1cc(C2CCN(C(=O)[C@H](C)Sc3nncn3C)CC2)cn1 ZINC000124061228 222371592 /nfs/dbraw/zinc/37/15/92/222371592.db2.gz JJRWFTVGDDWWCB-LBPRGKRZSA-N 0 0 348.476 1.918 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)n(C)n1 ZINC000124233598 222395756 /nfs/dbraw/zinc/39/57/56/222395756.db2.gz NIBNIVPWJMSISG-ZDUSSCGKSA-N 0 0 330.392 1.018 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)/C=C/c3ccc(O)cc3)CCO2)c1 ZINC000125190287 222530941 /nfs/dbraw/zinc/53/09/41/222530941.db2.gz GNROUXPQFMNLJB-BBOMDTFKSA-N 0 0 327.384 1.838 10 0 EDAERN COc1ccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)c(OC)c1 ZINC000171615765 227175897 /nfs/dbraw/zinc/17/58/97/227175897.db2.gz OTILJGMIHBXPQG-ZDUSSCGKSA-N 0 0 345.403 1.571 10 0 EDAERN Cc1cc(C)nc(SCC(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000171665083 227206109 /nfs/dbraw/zinc/20/61/09/227206109.db2.gz NXIHBJPUGAXAQW-CYBMUJFWSA-N 0 0 332.433 1.641 10 0 EDAERN CCc1noc([C@H](C)N2CCN(Cc3cccc(OC)n3)CC2)n1 ZINC000171828776 227303854 /nfs/dbraw/zinc/30/38/54/227303854.db2.gz JZJRDUWKKAOTGQ-ZDUSSCGKSA-N 0 0 331.420 1.914 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(C)C(=O)[C@H]1C)C(C)C ZINC000188577983 272958537 /nfs/dbraw/zinc/95/85/37/272958537.db2.gz VOKPMEPZKUEYDX-GDBMZVCRSA-N 0 0 345.443 1.439 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N(C)CC1(O)CCOCC1 ZINC000189018328 272961188 /nfs/dbraw/zinc/96/11/88/272961188.db2.gz JICCRZLLAGLRBP-OAHLLOKOSA-N 0 0 336.432 1.775 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)c[nH]2)C[C@@H]1C ZINC000174291463 533685459 /nfs/dbraw/zinc/68/54/59/533685459.db2.gz SGFMEXYVWJJQRB-VHSXEESVSA-N 0 0 330.226 1.304 10 0 EDAERN C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)c1cccc(-n2ccnc2)c1 ZINC000189813202 272969104 /nfs/dbraw/zinc/96/91/04/272969104.db2.gz BVHOWYNISQOEIA-JKIFEVAISA-N 0 0 344.415 1.725 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000193378974 272991957 /nfs/dbraw/zinc/99/19/57/272991957.db2.gz ZARUMEWQSYUXJD-HIFRSBDPSA-N 0 0 326.441 1.234 10 0 EDAERN C[C@H](CNC(=O)COc1ccc(F)cc1Cl)N1CCOCC1 ZINC000029959061 267383062 /nfs/dbraw/zinc/38/30/62/267383062.db2.gz FFLCQMNNYKGQIL-LLVKDONJSA-N 0 0 330.787 1.695 10 0 EDAERN COCCn1ccc(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000181582936 267645218 /nfs/dbraw/zinc/64/52/18/267645218.db2.gz WICSTVIGPHHDCY-LBPRGKRZSA-N 0 0 347.423 1.381 10 0 EDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)C1CCC(C(=O)OC)CC1 ZINC000189758863 267785839 /nfs/dbraw/zinc/78/58/39/267785839.db2.gz AAXJCTKGEAIFRG-VQXHTEKXSA-N 0 0 325.327 1.738 10 0 EDAERN C[C@H](NC(=O)N1CCN(C(=O)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000046971778 272913048 /nfs/dbraw/zinc/91/30/48/272913048.db2.gz XDTXEPMAHJHBFY-RDJZCZTQSA-N 0 0 345.443 1.650 10 0 EDAERN C[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000045651759 272911684 /nfs/dbraw/zinc/91/16/84/272911684.db2.gz UBODBFSDGMCCBM-GFCCVEGCSA-N 0 0 335.429 1.749 10 0 EDAERN COc1ccc(O)cc1C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000187114295 272948524 /nfs/dbraw/zinc/94/85/24/272948524.db2.gz JZYAIUBHQWKLTF-ZDUSSCGKSA-N 0 0 342.399 1.932 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)C1 ZINC000247793654 287767968 /nfs/dbraw/zinc/76/79/68/287767968.db2.gz ZJPUNLSSPLMOTO-FHLIZLRMSA-N 0 0 347.459 1.851 10 0 EDAERN CCOc1cc(/C=C\C(=O)N2CCC[C@@H](NC(C)=O)C2)ccc1O ZINC000255193189 287832742 /nfs/dbraw/zinc/83/27/42/287832742.db2.gz VLPDXSNGCMQKDA-SOIVGHGOSA-N 0 0 332.400 1.931 10 0 EDAERN COCCC(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192157291 277201614 /nfs/dbraw/zinc/20/16/14/277201614.db2.gz HDLHAHWPZXBPMA-CQSZACIVSA-N 0 0 328.453 1.678 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000183266349 277203313 /nfs/dbraw/zinc/20/33/13/277203313.db2.gz JLIHSBXYQADSDK-MELADBBJSA-N 0 0 332.404 1.852 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(F)cc2nccnc21 ZINC000177732309 279134614 /nfs/dbraw/zinc/13/46/14/279134614.db2.gz XDWWVMFZBMHECS-LBPRGKRZSA-N 0 0 326.335 1.934 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC2(S(C)(=O)=O)CC2)C[C@]12CCCO2 ZINC000333987487 280044278 /nfs/dbraw/zinc/04/42/78/280044278.db2.gz HNAQCDXDAMVXTC-SWLSCSKDSA-N 0 0 330.450 1.163 10 0 EDAERN CC(C)n1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCC2)C1 ZINC000333648548 280754200 /nfs/dbraw/zinc/75/42/00/280754200.db2.gz DNZMOWMCAYNQBX-GFCCVEGCSA-N 0 0 341.481 1.850 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)CNC(=O)CNC(C)=O)o1 ZINC000129391244 288565920 /nfs/dbraw/zinc/56/59/20/288565920.db2.gz WQYAAVRTEDWCPY-CQSZACIVSA-N 0 0 335.404 1.148 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cccnc2SC(F)F)C[C@@H]1C ZINC000174291220 533693058 /nfs/dbraw/zinc/69/30/58/533693058.db2.gz SVQIXTMJNYCWFW-WDEREUQCSA-N 0 0 345.415 1.923 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cccc(C(=O)N(C)C)c3)CCO2)[nH]1 ZINC000173663723 293125409 /nfs/dbraw/zinc/12/54/09/293125409.db2.gz YVRVKDDUJLMRHM-OAHLLOKOSA-N 0 0 329.404 1.388 10 0 EDAERN O=C(NCCSC(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000173786274 295652387 /nfs/dbraw/zinc/65/23/87/295652387.db2.gz FJHHMFWGQWGKRW-SNVBAGLBSA-N 0 0 327.372 1.356 10 0 EDAERN Cc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)n1 ZINC000115205194 302003513 /nfs/dbraw/zinc/00/35/13/302003513.db2.gz GKKAYPHUZJIQGK-CZUORRHYSA-N 0 0 327.388 1.672 10 0 EDAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000171236295 302942945 /nfs/dbraw/zinc/94/29/45/302942945.db2.gz SHRZNOHOYPTBRW-GJZGRUSLSA-N 0 0 348.447 1.808 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000247061045 303306950 /nfs/dbraw/zinc/30/69/50/303306950.db2.gz VJPIUTBZXBRSFF-GVXVVHGQSA-N 0 0 343.210 1.810 10 0 EDAERN O=S(=O)(Nc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000005364188 440950918 /nfs/dbraw/zinc/95/09/18/440950918.db2.gz YNZVZHSFUJCJSH-GFCCVEGCSA-N 0 0 325.411 1.769 10 0 EDAERN COc1ccc(OCCCC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000046269605 441097096 /nfs/dbraw/zinc/09/70/96/441097096.db2.gz OQAFPSQSEAXSML-HNNXBMFYSA-N 0 0 336.432 1.691 10 0 EDAERN Cc1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000013700292 441165095 /nfs/dbraw/zinc/16/50/95/441165095.db2.gz XSWMPQCTFLFWSA-UHFFFAOYSA-N 0 0 337.387 1.787 10 0 EDAERN CCOC(=O)[C@H]1C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]1N2C ZINC000071793108 441154508 /nfs/dbraw/zinc/15/45/08/441154508.db2.gz DDQLSUNZALBDML-NQBHXWOUSA-N 0 0 326.393 1.058 10 0 EDAERN O=S(=O)(NCC(F)(F)F)c1ccc2c(c1)CN[C@@H](CF)C2 ZINC000013581893 441160812 /nfs/dbraw/zinc/16/08/12/441160812.db2.gz GFLULHGGFBMVRA-SNVBAGLBSA-N 0 0 326.315 1.511 10 0 EDAERN O=C(CNc1ccc(Cl)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC000015290687 441199453 /nfs/dbraw/zinc/19/94/53/441199453.db2.gz RLHYWHBJELDBLU-SECBINFHSA-N 0 0 337.228 1.709 10 0 EDAERN CCc1noc([C@H](C)N2CCN(CC(=O)N[C@@H](C)C(C)C)CC2)n1 ZINC000105865130 441295674 /nfs/dbraw/zinc/29/56/74/441295674.db2.gz AUBCOEBBZSNCMQ-KBPBESRZSA-N 0 0 337.468 1.471 10 0 EDAERN CN(c1cccnn1)C1CCN(CC(=O)NCc2ccco2)CC1 ZINC000105806272 441274855 /nfs/dbraw/zinc/27/48/55/441274855.db2.gz BPSRGWNAQJVPCL-UHFFFAOYSA-N 0 0 329.404 1.287 10 0 EDAERN COc1ccccc1OCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105809971 441276052 /nfs/dbraw/zinc/27/60/52/441276052.db2.gz JTLLRGXKSAFMOC-UHFFFAOYSA-N 0 0 342.399 1.603 10 0 EDAERN COCCCCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000048267127 441281991 /nfs/dbraw/zinc/28/19/91/441281991.db2.gz SHOGXBGRTSOJSU-CYBMUJFWSA-N 0 0 326.418 1.631 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c(C)nn2c1nc(C)cc2C ZINC000081580899 441292656 /nfs/dbraw/zinc/29/26/56/441292656.db2.gz MKWXLFNGEOHNMZ-CYBMUJFWSA-N 0 0 339.403 1.819 10 0 EDAERN Cc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1S(C)(=O)=O ZINC000105854639 441293046 /nfs/dbraw/zinc/29/30/46/441293046.db2.gz PDJQFSDFBXVLEA-AWEZNQCLSA-N 0 0 348.428 1.467 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000081586624 441293520 /nfs/dbraw/zinc/29/35/20/441293520.db2.gz XLUVGXWNRDOPER-MEBBXXQBSA-N 0 0 330.436 1.767 10 0 EDAERN Cc1cc(CN2CCN3CCNC(=O)[C@H]3C2)c(C)n1-c1cccnc1 ZINC000106258409 441329903 /nfs/dbraw/zinc/32/99/03/441329903.db2.gz VRNIOACZUOFWEL-GOSISDBHSA-N 0 0 339.443 1.105 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000048986209 441340177 /nfs/dbraw/zinc/34/01/77/441340177.db2.gz SJHXSDBWPWBJNM-NSHDSACASA-N 0 0 340.343 1.380 10 0 EDAERN CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000106458714 441345373 /nfs/dbraw/zinc/34/53/73/441345373.db2.gz LYKPKYXHMKPDBT-HNNXBMFYSA-N 0 0 336.399 1.978 10 0 EDAERN C[C@@H]1CN(CC(=O)NCc2ccccc2Cn2cccn2)C[C@@H](C)O1 ZINC000025411855 441345475 /nfs/dbraw/zinc/34/54/75/441345475.db2.gz HXEYNACHSHTNHZ-HZPDHXFCSA-N 0 0 342.443 1.657 10 0 EDAERN CC(C)CCC(=O)NCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105867810 441297928 /nfs/dbraw/zinc/29/79/28/441297928.db2.gz SUNJTFLUAOUGAG-UHFFFAOYSA-N 0 0 333.436 1.068 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccccc3C)CCO2)c1 ZINC000105891493 441309129 /nfs/dbraw/zinc/30/91/29/441309129.db2.gz HZBDHOCNVMSITR-INIZCTEOSA-N 0 0 328.416 1.839 10 0 EDAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000024603964 441314672 /nfs/dbraw/zinc/31/46/72/441314672.db2.gz NHDXRZCFLJXUJT-HZPDHXFCSA-N 0 0 336.457 1.994 10 0 EDAERN C[C@@H](C(=O)N(C)C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105916621 441315757 /nfs/dbraw/zinc/31/57/57/441315757.db2.gz QXLWAERHMDJOMD-INIZCTEOSA-N 0 0 341.459 1.467 10 0 EDAERN CC(C)[C@@H](NC(=O)CN1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000105927504 441317031 /nfs/dbraw/zinc/31/70/31/441317031.db2.gz KZAIIGJYOLNFKH-IEBWSBKVSA-N 0 0 333.476 1.762 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000084282165 441391454 /nfs/dbraw/zinc/39/14/54/441391454.db2.gz VXEKVUGTWDVFAP-SNVBAGLBSA-N 0 0 347.346 1.878 10 0 EDAERN COCC(=O)N1CC[C@]2(C1)NCc1ccccc1NC2=NC(C)(C)C ZINC000065265987 441411504 /nfs/dbraw/zinc/41/15/04/441411504.db2.gz VYEXYMMLGRDWSR-LJQANCHMSA-N 0 0 344.459 1.825 10 0 EDAERN CSc1nc(C)c(CCC(=O)N[C@@H](C)[C@@H]2CCCO2)c(=O)[nH]1 ZINC000027886420 441417524 /nfs/dbraw/zinc/41/75/24/441417524.db2.gz WIWCHTRXMTUNBX-JQWIXIFHSA-N 0 0 325.434 1.829 10 0 EDAERN O=C1NC(=O)[C@@H](Cc2ccc(OCCNc3ncccn3)cc2)S1 ZINC000027319025 441399797 /nfs/dbraw/zinc/39/97/97/441399797.db2.gz BZYJVHSYHURRND-CYBMUJFWSA-N 0 0 344.396 1.862 10 0 EDAERN CCCNC(=O)CC1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000065061314 441401201 /nfs/dbraw/zinc/40/12/01/441401201.db2.gz PMJFBDCLGQCTEJ-UHFFFAOYSA-N 0 0 343.449 1.608 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)NCC3CCC3)CC2)n1 ZINC000108867704 441478878 /nfs/dbraw/zinc/47/88/78/441478878.db2.gz FUFCOJVETFASGM-UHFFFAOYSA-N 0 0 347.463 1.222 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncc(S(N)(=O)=O)s1 ZINC000108951499 441482851 /nfs/dbraw/zinc/48/28/51/441482851.db2.gz DUDFZTAEUDCCLS-JTQLQIEISA-N 0 0 341.462 1.482 10 0 EDAERN CCc1noc(CC)c1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000088201780 441495825 /nfs/dbraw/zinc/49/58/25/441495825.db2.gz JMRLYYQXACGYLU-OAHLLOKOSA-N 0 0 344.415 1.695 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000088816751 441524307 /nfs/dbraw/zinc/52/43/07/441524307.db2.gz KUAVFFHBWHTTNZ-CYBMUJFWSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000075530532 441530407 /nfs/dbraw/zinc/53/04/07/441530407.db2.gz LGKTWPIDMXRIMV-WKEGUHRASA-N 0 0 333.207 1.235 10 0 EDAERN Cc1cc(NC(=O)CN2CCC[C@H]2CNC(=O)OC(C)(C)C)on1 ZINC000076009221 441577806 /nfs/dbraw/zinc/57/78/06/441577806.db2.gz ZLWVSIVETOZKRM-LBPRGKRZSA-N 0 0 338.408 1.911 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000054485705 441581155 /nfs/dbraw/zinc/58/11/55/441581155.db2.gz XPMBUWBKNNDHAY-CQSZACIVSA-N 0 0 342.399 1.137 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cn(C)nc3C)CC2)cn1 ZINC000113173911 441584954 /nfs/dbraw/zinc/58/49/54/441584954.db2.gz ZNAVEJYPGWHZBC-UHFFFAOYSA-N 0 0 344.463 1.683 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1F ZINC000113298831 441599965 /nfs/dbraw/zinc/59/99/65/441599965.db2.gz IDAZIEZUFXSJEY-SECBINFHSA-N 0 0 330.772 1.364 10 0 EDAERN CCN(C(=O)N[C@@H]1COc2ccccc21)[C@@H](C)CS(=O)(=O)CC ZINC000113384434 441604751 /nfs/dbraw/zinc/60/47/51/441604751.db2.gz YQIMCVQYBREILN-GXTWGEPZSA-N 0 0 340.445 1.975 10 0 EDAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1 ZINC000113440057 441608773 /nfs/dbraw/zinc/60/87/73/441608773.db2.gz KNBZNHVOCBBOEM-GHMZBOCLSA-N 0 0 345.490 1.349 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)C3(O)CCCC3)CC2)cn1 ZINC000113992256 441629846 /nfs/dbraw/zinc/62/98/46/441629846.db2.gz ALCSYZAEZRQDNL-UHFFFAOYSA-N 0 0 334.464 1.587 10 0 EDAERN CS(=O)(=O)N1CCN(c2ccc(OCc3ccccc3)cn2)CC1 ZINC000090556712 441634544 /nfs/dbraw/zinc/63/45/44/441634544.db2.gz SDYDJCJGSYSJDS-UHFFFAOYSA-N 0 0 347.440 1.742 10 0 EDAERN Cn1c(CN2CCC[C@@H]2C(=O)Nc2nccs2)nnc1C1CC1 ZINC000114471157 441662278 /nfs/dbraw/zinc/66/22/78/441662278.db2.gz XFPXGYUFYUEKJH-LLVKDONJSA-N 0 0 332.433 1.752 10 0 EDAERN CC(=O)Nc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000076825513 441687648 /nfs/dbraw/zinc/68/76/48/441687648.db2.gz FPGZKDAZBNWLCK-UWVGGRQHSA-N 0 0 330.381 1.582 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000114875288 441694573 /nfs/dbraw/zinc/69/45/73/441694573.db2.gz WNADSXDOCPSXJR-LLVKDONJSA-N 0 0 329.360 1.706 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cccnc1N(C)C)CC2 ZINC000114927086 441699504 /nfs/dbraw/zinc/69/95/04/441699504.db2.gz OWJJPQLMTKFWCF-CYBMUJFWSA-N 0 0 343.435 1.116 10 0 EDAERN C[C@@H](NC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(C)(C)C ZINC000114967375 441704950 /nfs/dbraw/zinc/70/49/50/441704950.db2.gz XWPGEJWTXXULGP-GFCCVEGCSA-N 0 0 333.436 1.447 10 0 EDAERN C[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1nnc2n1CCCC2 ZINC000121443287 441706047 /nfs/dbraw/zinc/70/60/47/441706047.db2.gz IJYQUIBRIDOOIW-LBPRGKRZSA-N 0 0 343.435 1.988 10 0 EDAERN C[C@@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)C(=O)c1cccc(F)c1 ZINC000173330188 441713729 /nfs/dbraw/zinc/71/37/29/441713729.db2.gz XLNHHYAADLRCRK-YOEHRIQHSA-N 0 0 348.418 1.968 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCCN1CCOCC1 ZINC000114581878 441667655 /nfs/dbraw/zinc/66/76/55/441667655.db2.gz KBHHYSAFBFHLJG-MRXNPFEDSA-N 0 0 349.479 1.606 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)CC(C)(C)CC(=O)OC)CC1 ZINC000137006783 441738079 /nfs/dbraw/zinc/73/80/79/441738079.db2.gz HLEJYRQLPNTVQM-UHFFFAOYSA-N 0 0 336.436 1.983 10 0 EDAERN Cn1cc(CN2CCCN(S(=O)(=O)c3cccs3)CC2)cn1 ZINC000115580887 441760137 /nfs/dbraw/zinc/76/01/37/441760137.db2.gz DXHCQWTWDFQTMY-UHFFFAOYSA-N 0 0 340.474 1.378 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121716086 441764422 /nfs/dbraw/zinc/76/44/22/441764422.db2.gz HAKOKVAGVUANBQ-SECBINFHSA-N 0 0 325.394 1.259 10 0 EDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cn1 ZINC000116370343 441815766 /nfs/dbraw/zinc/81/57/66/441815766.db2.gz DFGYUEHIFZIRAF-SNVBAGLBSA-N 0 0 327.356 1.877 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116371141 441816824 /nfs/dbraw/zinc/81/68/24/441816824.db2.gz QJNRDLBBNRRODK-AWEZNQCLSA-N 0 0 333.413 1.801 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116371145 441817287 /nfs/dbraw/zinc/81/72/87/441817287.db2.gz QJNRDLBBNRRODK-CQSZACIVSA-N 0 0 333.413 1.801 10 0 EDAERN Cn1cc([C@@H]2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)cn1 ZINC000116394608 441817436 /nfs/dbraw/zinc/81/74/36/441817436.db2.gz XBXOSLRADTXETP-NVXWUHKLSA-N 0 0 338.411 1.537 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)N(CC(C)C)CC(C)C)CCO2)[nH]1 ZINC000173663119 441818045 /nfs/dbraw/zinc/81/80/45/441818045.db2.gz FMAUTHJWYARAAG-HNNXBMFYSA-N 0 0 337.468 1.627 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCC(C)(C)N3CCOCC3)C2)cn1 ZINC000116412964 441819059 /nfs/dbraw/zinc/81/90/59/441819059.db2.gz IDDINVLNRQQQBK-CQSZACIVSA-N 0 0 335.452 1.030 10 0 EDAERN CC(C)c1nnc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000137493413 441772763 /nfs/dbraw/zinc/77/27/63/441772763.db2.gz OEMUFPNLWGADTP-LLVKDONJSA-N 0 0 334.449 1.823 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000057024898 441775827 /nfs/dbraw/zinc/77/58/27/441775827.db2.gz QYDZJGJKYKDRSG-YOEHRIQHSA-N 0 0 347.459 1.816 10 0 EDAERN CCc1ccc(OCC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173533248 441782138 /nfs/dbraw/zinc/78/21/38/441782138.db2.gz CAKIMWIVSFFHBM-HNNXBMFYSA-N 0 0 330.388 1.654 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(C(=O)NC4CC4)cc3)C2)cn1 ZINC000121816944 441786895 /nfs/dbraw/zinc/78/68/95/441786895.db2.gz PYQGJKUFMNRNNV-HNNXBMFYSA-N 0 0 338.411 1.942 10 0 EDAERN COCCN1CCN(C(=O)c2ccccc2Cn2cncn2)C[C@H]1C ZINC000173549047 441787347 /nfs/dbraw/zinc/78/73/47/441787347.db2.gz JSAPKOJLCWCKSF-OAHLLOKOSA-N 0 0 343.431 1.119 10 0 EDAERN CN(C)c1ncccc1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116419106 441820605 /nfs/dbraw/zinc/82/06/05/441820605.db2.gz KFUNSEZXPIQRIK-AWEZNQCLSA-N 0 0 328.420 1.580 10 0 EDAERN O=C(NCCCOC[C@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 ZINC000173556299 441790528 /nfs/dbraw/zinc/79/05/28/441790528.db2.gz BIUICCUBWFOGDP-HUUCEWRRSA-N 0 0 337.424 1.210 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCOC(C)(C)C3)C2=O)n(C)n1 ZINC000173556694 441790581 /nfs/dbraw/zinc/79/05/81/441790581.db2.gz DTDQVZDFWJYLPG-CYBMUJFWSA-N 0 0 349.435 1.044 10 0 EDAERN COc1ccc(OCCNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173560063 441791797 /nfs/dbraw/zinc/79/17/97/441791797.db2.gz RBTSKMMTGVIKPF-AWEZNQCLSA-N 0 0 345.403 1.712 10 0 EDAERN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC[C@H]1c1ccco1 ZINC000116047910 441792090 /nfs/dbraw/zinc/79/20/90/441792090.db2.gz AOCJGSPTGOYMNZ-ZDUSSCGKSA-N 0 0 347.396 1.441 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cnc4onc(C)c4c3)CCO2)[nH]1 ZINC000173562284 441792511 /nfs/dbraw/zinc/79/25/11/441792511.db2.gz ZGKFNFCTSFPOSZ-LBPRGKRZSA-N 0 0 342.359 1.425 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(CC)nn1C ZINC000116080030 441792962 /nfs/dbraw/zinc/79/29/62/441792962.db2.gz ROACFNARHQNCTG-GFCCVEGCSA-N 0 0 328.438 1.125 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(C)c(OC)c3)CCO2)[nH]1 ZINC000173582044 441798356 /nfs/dbraw/zinc/79/83/56/441798356.db2.gz HWGNTVNREBBUNY-AWEZNQCLSA-N 0 0 330.388 1.898 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)C2)cn1 ZINC000116228763 441803371 /nfs/dbraw/zinc/80/33/71/441803371.db2.gz CWWMAVZFYNGXGF-GDBMZVCRSA-N 0 0 341.415 1.016 10 0 EDAERN Cc1ccn2c(c1)ncc(C(=O)N1CC[C@@H](c3cnn(C)c3)C1)c2=O ZINC000116230646 441803618 /nfs/dbraw/zinc/80/36/18/441803618.db2.gz UDIPLXVYSSCVGR-CYBMUJFWSA-N 0 0 337.383 1.366 10 0 EDAERN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1nnc2n1CCCC2 ZINC000173629990 441809006 /nfs/dbraw/zinc/80/90/06/441809006.db2.gz TXPZXJOWQAZZBJ-KGLIPLIRSA-N 0 0 327.432 1.970 10 0 EDAERN CCOc1ccccc1NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173924809 441863988 /nfs/dbraw/zinc/86/39/88/441863988.db2.gz DZSKKCOKLMMGKW-OAHLLOKOSA-N 0 0 333.432 1.430 10 0 EDAERN Cc1ccc(OCCNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173765108 441835874 /nfs/dbraw/zinc/83/58/74/441835874.db2.gz OKJGFDSYBJIORQ-INIZCTEOSA-N 0 0 333.432 1.490 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)n1 ZINC000116778497 441843763 /nfs/dbraw/zinc/84/37/63/441843763.db2.gz DMCZXVZFKMDKSE-LSDHHAIUSA-N 0 0 333.436 1.002 10 0 EDAERN CCCC[C@@H](COC)NC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000141368912 441849639 /nfs/dbraw/zinc/84/96/39/441849639.db2.gz BKEDNYGBPRAQRX-STQMWFEESA-N 0 0 339.440 1.655 10 0 EDAERN Cc1nc(CC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cs1 ZINC000122467446 441851445 /nfs/dbraw/zinc/85/14/45/441851445.db2.gz XESJMFXATIGBQU-CQSZACIVSA-N 0 0 331.445 1.911 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CC[C@H](N3CCOCC3)C2)c1C ZINC000173990810 441874356 /nfs/dbraw/zinc/87/43/56/441874356.db2.gz RMWWZUHXMYLSLW-HNNXBMFYSA-N 0 0 333.432 1.423 10 0 EDAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc2ccccc2c1 ZINC000124418020 441924669 /nfs/dbraw/zinc/92/46/69/441924669.db2.gz QODXJPVBMLFICC-GFCCVEGCSA-N 0 0 327.384 1.221 10 0 EDAERN O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174034152 441880770 /nfs/dbraw/zinc/88/07/70/441880770.db2.gz BBCMZUUHGWENKT-HYVNUMGLSA-N 0 0 339.457 1.941 10 0 EDAERN CCOC(OCC)[C@@](O)(CO)[C@@H](O)c1ccc(N(CC)CC)cc1 ZINC000145297953 441888166 /nfs/dbraw/zinc/88/81/66/441888166.db2.gz SAANGFNTFXNSGL-FUHWJXTLSA-N 0 0 341.448 1.689 10 0 EDAERN C[C@@H](SCC(=O)NC[C@@H]1CN(C)CCO1)c1nc2ccccc2[nH]1 ZINC000174149448 441894316 /nfs/dbraw/zinc/89/43/16/441894316.db2.gz PGPBWEFIEAECNF-CHWSQXEVSA-N 0 0 348.472 1.804 10 0 EDAERN Cc1cccc(OCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000118669539 441899856 /nfs/dbraw/zinc/89/98/56/441899856.db2.gz SLYCHWAWIXLXEJ-OAHLLOKOSA-N 0 0 326.400 1.949 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H](C)Cc3cc(C)n[nH]3)CCO2)c1 ZINC000124941477 441968959 /nfs/dbraw/zinc/96/89/59/441968959.db2.gz YVPYVOBRYNQXAW-BBRMVZONSA-N 0 0 346.435 1.265 10 0 EDAERN CNc1c(Cl)ncnc1N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000124983436 441972122 /nfs/dbraw/zinc/97/21/22/441972122.db2.gz WGBSWTZFFGNEFN-UHFFFAOYSA-N 0 0 348.842 1.354 10 0 EDAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)O ZINC000174832379 441973234 /nfs/dbraw/zinc/97/32/34/441973234.db2.gz JDVFQAMOCHTQIY-CYBMUJFWSA-N 0 0 328.359 1.606 10 0 EDAERN COC(=O)N[C@@H](C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)C(C)C ZINC000150711806 441934375 /nfs/dbraw/zinc/93/43/75/441934375.db2.gz ZPXMXAGLUIQZRX-WCQYABFASA-N 0 0 337.424 1.213 10 0 EDAERN CCc1cc(=O)[nH]c(CN2CCCN(c3ccc(C)nn3)CC2)n1 ZINC000119996382 441991340 /nfs/dbraw/zinc/99/13/40/441991340.db2.gz SMSRHWBWHHCYBH-UHFFFAOYSA-N 0 0 328.420 1.555 10 0 EDAERN Cc1nc2n(n1)C[C@H](NS(=O)(=O)C[C@H](C)c1ccccc1)CC2 ZINC000150981176 441985498 /nfs/dbraw/zinc/98/54/98/441985498.db2.gz ODEPPGFJGPPVSY-SWLSCSKDSA-N 0 0 334.445 1.624 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCn1c(C)c(C)sc1=O ZINC000151096398 442004748 /nfs/dbraw/zinc/00/47/48/442004748.db2.gz YMNPQWOHHIOVFF-GFCCVEGCSA-N 0 0 349.460 1.722 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175112231 442006255 /nfs/dbraw/zinc/00/62/55/442006255.db2.gz PFAFRGPYUBAGQZ-DZGCQCFKSA-N 0 0 329.404 1.497 10 0 EDAERN CC(C)OCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000175120409 442007778 /nfs/dbraw/zinc/00/77/78/442007778.db2.gz YWUOKYDCPPKETA-CQSZACIVSA-N 0 0 342.465 1.132 10 0 EDAERN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCOC2(CCCC2)C1 ZINC000151151568 442015626 /nfs/dbraw/zinc/01/56/26/442015626.db2.gz PJHJUEGMIXRCEB-HNNXBMFYSA-N 0 0 346.427 1.742 10 0 EDAERN C[C@@H](CNC(=O)N1CCCC[C@@H]1c1cccn1C)N1CCOCC1 ZINC000175273680 442030005 /nfs/dbraw/zinc/03/00/05/442030005.db2.gz VTEAHFNOVMVDQM-DOTOQJQBSA-N 0 0 334.464 1.982 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCOc3ccccc3)CCO2)[nH]1 ZINC000175301050 442036857 /nfs/dbraw/zinc/03/68/57/442036857.db2.gz GUIOVQCNWGBUSX-AWEZNQCLSA-N 0 0 331.376 1.275 10 0 EDAERN C[C@H](NC(=O)[C@H]1CSCN1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161893485 442042046 /nfs/dbraw/zinc/04/20/46/442042046.db2.gz BWNMAQUCWSSHME-GZMMTYOYSA-N 0 0 332.422 1.069 10 0 EDAERN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000126225318 442090093 /nfs/dbraw/zinc/09/00/93/442090093.db2.gz MRZJAUBCPZRMGX-AEFFLSMTSA-N 0 0 349.475 1.690 10 0 EDAERN O=c1ccnc2sc(NCCc3nc(-c4ccccc4)n[nH]3)nn21 ZINC000162147695 442067633 /nfs/dbraw/zinc/06/76/33/442067633.db2.gz IZDIOVWDVCEIGI-UHFFFAOYSA-N 0 0 339.384 1.591 10 0 EDAERN CC[C@@H]1CCN(C(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)C1 ZINC000120465289 442077602 /nfs/dbraw/zinc/07/76/02/442077602.db2.gz GXNIDOLUSGEEGP-NWDGAFQWSA-N 0 0 335.429 1.372 10 0 EDAERN CCCN(C)S(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000120662394 442113629 /nfs/dbraw/zinc/11/36/29/442113629.db2.gz UXFWPBYBACVMQL-UHFFFAOYSA-N 0 0 346.522 1.546 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)c1ccsc1)CC2 ZINC000120674812 442115687 /nfs/dbraw/zinc/11/56/87/442115687.db2.gz WEVRUUAYZXEWMY-QWHCGFSZSA-N 0 0 349.460 1.811 10 0 EDAERN COc1ncccc1CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175746341 442115883 /nfs/dbraw/zinc/11/58/83/442115883.db2.gz GUJHSEBERHLGKB-HNNXBMFYSA-N 0 0 329.404 1.969 10 0 EDAERN Cc1ccc(CCNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000175776163 442120294 /nfs/dbraw/zinc/12/02/94/442120294.db2.gz AGYHWANANNTPJH-RHSMWYFYSA-N 0 0 332.448 1.295 10 0 EDAERN CCc1nc(C2(NC(=O)c3cccc(C(N)=O)c3)CCCC2)no1 ZINC000175798653 442125131 /nfs/dbraw/zinc/12/51/31/442125131.db2.gz WDPYPBQEOOYUAU-UHFFFAOYSA-N 0 0 328.372 1.930 10 0 EDAERN O=C(CNC(=O)c1cc2ccccc2[nH]1)N[C@@H]1CCCn2ncnc21 ZINC000175823767 442129801 /nfs/dbraw/zinc/12/98/01/442129801.db2.gz YOQAZBGIUFUXEY-CYBMUJFWSA-N 0 0 338.371 1.141 10 0 EDAERN Cc1cc(N2CCC(NC(=O)N[C@H](C)[C@H]3CCCO3)CC2)nc(C)n1 ZINC000175858292 442136093 /nfs/dbraw/zinc/13/60/93/442136093.db2.gz BQYBBBUBAWHAFR-CZUORRHYSA-N 0 0 347.463 1.929 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(Br)c(O)c2)C1 ZINC000126719571 442138018 /nfs/dbraw/zinc/13/80/18/442138018.db2.gz GOYLCWCQAGBTCZ-JTQLQIEISA-N 0 0 329.194 1.215 10 0 EDAERN O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](Cn2cncn2)C1 ZINC000152126007 442168609 /nfs/dbraw/zinc/16/86/09/442168609.db2.gz PELKZARDPKXQPQ-BLLLJJGKSA-N 0 0 330.363 1.660 10 0 EDAERN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)N[C@H]1CCCC[C@@H]1CO ZINC000176073652 442171187 /nfs/dbraw/zinc/17/11/87/442171187.db2.gz VNNDVVRLDIMMGF-VHDGCEQUSA-N 0 0 349.406 1.781 10 0 EDAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176099916 442176178 /nfs/dbraw/zinc/17/61/78/442176178.db2.gz RCGLLMYZOAFNDM-AWEZNQCLSA-N 0 0 325.372 1.357 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000176151859 442182641 /nfs/dbraw/zinc/18/26/41/442182641.db2.gz IKQKSJZNIKZRBZ-QGZVFWFLSA-N 0 0 347.463 1.624 10 0 EDAERN O=C(c1ccc2c(c1)CCC(=O)N2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127321816 442193456 /nfs/dbraw/zinc/19/34/56/442193456.db2.gz PIXIDASTWJQGIE-CYBMUJFWSA-N 0 0 339.399 1.715 10 0 EDAERN O=C1CNC(=O)N1CCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121257186 442196739 /nfs/dbraw/zinc/19/67/39/442196739.db2.gz STHHTUFDJGEQCU-SMDDNHRTSA-N 0 0 339.342 1.014 10 0 EDAERN CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCCn2ncnc21)C1CC1 ZINC000127024833 442163454 /nfs/dbraw/zinc/16/34/54/442163454.db2.gz MHTYYZPSZBAEDR-GFCCVEGCSA-N 0 0 335.408 1.629 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCN(C(=O)N[C@H]3C[C@@H]3C)CC2)n1 ZINC000176343677 442212586 /nfs/dbraw/zinc/21/25/86/442212586.db2.gz SDKXFOJVSVLSRO-XQQFMLRXSA-N 0 0 337.424 1.403 10 0 EDAERN COCCN1CCN(C(=O)NCCOCc2ccccc2)C[C@@H]1C ZINC000176444767 442223131 /nfs/dbraw/zinc/22/31/31/442223131.db2.gz BCZPHMMUEMRJEU-INIZCTEOSA-N 0 0 335.448 1.565 10 0 EDAERN COCCN1CCN(C(=O)NCCc2cc(F)ccc2F)C[C@@H]1C ZINC000176456782 442224518 /nfs/dbraw/zinc/22/45/18/442224518.db2.gz JIRASBISPNRWSV-ZDUSSCGKSA-N 0 0 341.402 1.869 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000176564832 442235071 /nfs/dbraw/zinc/23/50/71/442235071.db2.gz RPYVGXWZJZXFDT-MCFWBGNESA-N 0 0 347.444 1.481 10 0 EDAERN O=C(Cc1cc(F)c(F)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000127991436 442237871 /nfs/dbraw/zinc/23/78/71/442237871.db2.gz UJRZZDDRXNJDMC-GFCCVEGCSA-N 0 0 328.334 1.580 10 0 EDAERN Cn1nccc1C1CCN(C(=O)NCCCO[C@H]2CCOC2)CC1 ZINC000127998301 442238963 /nfs/dbraw/zinc/23/89/63/442238963.db2.gz LVIABQRTBYMOHI-HNNXBMFYSA-N 0 0 336.436 1.505 10 0 EDAERN O=C(NC1CC1)[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(F)cc1 ZINC000176684351 442246986 /nfs/dbraw/zinc/24/69/86/442246986.db2.gz JTKQBKBYZSSPQB-CABCVRRESA-N 0 0 329.379 1.862 10 0 EDAERN CCOCCC1(C(=O)N[C@@H]2CCCn3nc(COC)nc32)CCC1 ZINC000153145123 442264379 /nfs/dbraw/zinc/26/43/79/442264379.db2.gz VNWDZOGOUVEFIF-CYBMUJFWSA-N 0 0 336.436 1.973 10 0 EDAERN CC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000176931880 442274988 /nfs/dbraw/zinc/27/49/88/442274988.db2.gz XXFUDJRJHZURPP-CQSZACIVSA-N 0 0 329.360 1.921 10 0 EDAERN COCc1nsc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)n1 ZINC000176943276 442276265 /nfs/dbraw/zinc/27/62/65/442276265.db2.gz FEFJNPTXQLQVGI-JTQLQIEISA-N 0 0 336.421 1.334 10 0 EDAERN CC(C)n1nnnc1CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000170872308 442280864 /nfs/dbraw/zinc/28/08/64/442280864.db2.gz WSHGXNUMYVCVKQ-NSHDSACASA-N 0 0 338.437 1.094 10 0 EDAERN COC(=O)CCCCCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000153506489 442286401 /nfs/dbraw/zinc/28/64/01/442286401.db2.gz SWAXRRNBLWECDX-LBPRGKRZSA-N 0 0 337.424 1.708 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCCCNC(=O)C1CCC1)C(C)C ZINC000177032278 442288416 /nfs/dbraw/zinc/28/84/16/442288416.db2.gz YFZTVFSMQAFZRG-MRXNPFEDSA-N 0 0 339.480 1.596 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCCOc2ccc(F)cc2)C1 ZINC000170920661 442288739 /nfs/dbraw/zinc/28/87/39/442288739.db2.gz KMGGNRZLCSIDFG-MRXNPFEDSA-N 0 0 339.411 1.615 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)CN2CCCC2=O)C1 ZINC000171002428 442297520 /nfs/dbraw/zinc/29/75/20/442297520.db2.gz PHTXJYFROLRGCZ-ZIAGYGMSSA-N 0 0 338.452 1.088 10 0 EDAERN C[C@H]1CN(Cc2nc(-c3cccs3)no2)C[C@@H]1N1CCOCC1 ZINC000177260176 442321805 /nfs/dbraw/zinc/32/18/05/442321805.db2.gz KGUYCWNUIPZOSP-STQMWFEESA-N 0 0 334.445 1.951 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2cccnc2Cl)C[C@@H]1N1CCOCC1 ZINC000177265874 442322708 /nfs/dbraw/zinc/32/27/08/442322708.db2.gz OSAFHZWIYZIMHP-JSGCOSHPSA-N 0 0 338.839 1.326 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)C[C@H]1CCOC1)C(C)C ZINC000177274549 442323964 /nfs/dbraw/zinc/32/39/64/442323964.db2.gz QEYNDBDMBYBUIT-PBHICJAKSA-N 0 0 348.443 1.945 10 0 EDAERN CCOCCO[C@H](C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171234196 442331361 /nfs/dbraw/zinc/33/13/61/442331361.db2.gz NNGLCTVVTWIBEV-TZMCWYRMSA-N 0 0 325.409 1.601 10 0 EDAERN C[C@H](SC[C@H](O)CO)C(=O)Nc1ncc(Cl)cc1Cl ZINC000177438848 442341546 /nfs/dbraw/zinc/34/15/46/442341546.db2.gz OPHRWUYZPJGIEK-POYBYMJQSA-N 0 0 325.217 1.802 10 0 EDAERN COc1cccc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177234670 442317527 /nfs/dbraw/zinc/31/75/27/442317527.db2.gz SAJGBZPXEQSXFV-RHSMWYFYSA-N 0 0 333.432 1.557 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c(F)c1 ZINC000177652316 442367216 /nfs/dbraw/zinc/36/72/16/442367216.db2.gz YKQVXNFZJGKPEW-ZDUSSCGKSA-N 0 0 346.362 1.197 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000177712635 442374404 /nfs/dbraw/zinc/37/44/04/442374404.db2.gz DPILUURKVDUOLV-AWEZNQCLSA-N 0 0 343.387 1.106 10 0 EDAERN COC(=O)c1ccc(CCC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000177733808 442377862 /nfs/dbraw/zinc/37/78/62/442377862.db2.gz ZKILPWLCPMQJDE-OAHLLOKOSA-N 0 0 342.399 1.957 10 0 EDAERN CCOc1ncccc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000171759659 442378064 /nfs/dbraw/zinc/37/80/64/442378064.db2.gz MAZGKHQVOBSXDR-UHFFFAOYSA-N 0 0 345.403 1.520 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CCO2)c1 ZINC000131755405 442379234 /nfs/dbraw/zinc/37/92/34/442379234.db2.gz YZIHNGDUHFMYLH-WFASDCNBSA-N 0 0 331.420 1.563 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1Cc3cc(F)ccc3O1)CC2 ZINC000131968664 442384264 /nfs/dbraw/zinc/38/42/64/442384264.db2.gz XVEGBNHYRXANSF-HIFRSBDPSA-N 0 0 344.390 1.975 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000155339373 442388309 /nfs/dbraw/zinc/38/83/09/442388309.db2.gz CRCPJOCDWXNXKH-AWEZNQCLSA-N 0 0 341.415 1.788 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn(CCC(C)C)nn1 ZINC000155403401 442395457 /nfs/dbraw/zinc/39/54/57/442395457.db2.gz OIYQCLUTDALTAD-LBPRGKRZSA-N 0 0 347.423 1.327 10 0 EDAERN O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178024473 442402130 /nfs/dbraw/zinc/40/21/30/442402130.db2.gz FKBFAJPVRXLMTK-MRXNPFEDSA-N 0 0 336.355 1.351 10 0 EDAERN CCOc1ccccc1C(=O)NCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000177549981 442355999 /nfs/dbraw/zinc/35/59/99/442355999.db2.gz BFVDWNJVUVUKIU-ZFWWWQNUSA-N 0 0 334.416 1.482 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C[C@H](O)COCC(C)C)CC2)n1 ZINC000171624652 442363763 /nfs/dbraw/zinc/36/37/63/442363763.db2.gz RISUUUNQJQFUHT-CABCVRRESA-N 0 0 340.468 1.344 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2)C[C@@H]1CC ZINC000177618152 442363805 /nfs/dbraw/zinc/36/38/05/442363805.db2.gz BWYMCUQIHMXTKW-KRWDZBQOSA-N 0 0 347.459 1.893 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H](C)Oc1cccnc1)CC2 ZINC000172067282 442405883 /nfs/dbraw/zinc/40/58/83/442405883.db2.gz DTUVWKWQJFKJRY-OLZOCXBDSA-N 0 0 329.404 1.695 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)c1 ZINC000172127551 442411775 /nfs/dbraw/zinc/41/17/75/442411775.db2.gz PDEFFCXLPGXRAT-INIZCTEOSA-N 0 0 326.400 1.613 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3ccc(F)cc3)C2)cn1 ZINC000172137891 442413644 /nfs/dbraw/zinc/41/36/44/442413644.db2.gz WHSXNKNJLUTZTB-ZDUSSCGKSA-N 0 0 330.363 1.305 10 0 EDAERN CC[C@H](CO)NC(=O)c1ccc(NCc2nnc(C3CC3)n2C)cc1 ZINC000172316387 442443273 /nfs/dbraw/zinc/44/32/73/442443273.db2.gz FXKVINGKUPENDR-CQSZACIVSA-N 0 0 343.431 1.805 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCC(CO)CC2)[C@H]1c1ccccc1 ZINC000178612448 442448461 /nfs/dbraw/zinc/44/84/61/442448461.db2.gz LGRCWHGNMUNACP-FUHWJXTLSA-N 0 0 330.428 1.827 10 0 EDAERN COC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000178806184 442489912 /nfs/dbraw/zinc/48/99/12/442489912.db2.gz LYICQVADSHFTFB-BBRMVZONSA-N 0 0 326.437 1.727 10 0 EDAERN COCCCOCCN(C)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000179731290 442495100 /nfs/dbraw/zinc/49/51/00/442495100.db2.gz IGNXGGRFYIKPDW-CYBMUJFWSA-N 0 0 339.440 1.370 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)C(C)C ZINC000178844427 442501095 /nfs/dbraw/zinc/50/10/95/442501095.db2.gz BOZIQPKTLNQVDG-JKSUJKDBSA-N 0 0 335.423 1.677 10 0 EDAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000172605189 442501870 /nfs/dbraw/zinc/50/18/70/442501870.db2.gz DAHLYQKQPBDUDM-NSHDSACASA-N 0 0 342.848 1.664 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000172607764 442502448 /nfs/dbraw/zinc/50/24/48/442502448.db2.gz BECYHDKVJVFNAJ-DGCLKSJQSA-N 0 0 334.420 1.640 10 0 EDAERN COc1ccc(CN2CC[C@H](NC(=O)C[C@@H](O)C(C)C)C2=O)cc1 ZINC000178955489 442537430 /nfs/dbraw/zinc/53/74/30/442537430.db2.gz FPWHIOMQPPFHTC-JKSUJKDBSA-N 0 0 334.416 1.319 10 0 EDAERN O=C(CCCOc1ccc(F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172766693 442539136 /nfs/dbraw/zinc/53/91/36/442539136.db2.gz JAFLVKZWYQRZEJ-INIZCTEOSA-N 0 0 336.407 1.918 10 0 EDAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1nc[nH]n1 ZINC000178993972 442547006 /nfs/dbraw/zinc/54/70/06/442547006.db2.gz RAZGQELXCZEVPD-DUFXMDAXSA-N 0 0 331.351 1.341 10 0 EDAERN Cc1ccnc(-n2nccc2NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000191981002 442552748 /nfs/dbraw/zinc/55/27/48/442552748.db2.gz GBHIMQQIEHYRMS-CHWSQXEVSA-N 0 0 343.387 1.150 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCCC(=O)NC3CC3)CC2)cn1 ZINC000156700512 442511061 /nfs/dbraw/zinc/51/10/61/442511061.db2.gz GSAVNTUEFXXUEC-UHFFFAOYSA-N 0 0 347.463 1.851 10 0 EDAERN NC(=O)c1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000172641194 442513401 /nfs/dbraw/zinc/51/34/01/442513401.db2.gz KDPAGAIYBITHQO-UHFFFAOYSA-N 0 0 327.388 1.926 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000178923907 442526705 /nfs/dbraw/zinc/52/67/05/442526705.db2.gz VNEXGATVMOXIAZ-HNNXBMFYSA-N 0 0 340.445 1.350 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N(C)Cc1ccccc1OC ZINC000186404287 442527601 /nfs/dbraw/zinc/52/76/01/442527601.db2.gz BQLAANBLGVFSSR-GOSISDBHSA-N 0 0 334.416 1.681 10 0 EDAERN CCOc1ccc(OCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172748697 442532860 /nfs/dbraw/zinc/53/28/60/442532860.db2.gz BWUXXRQACBCSBI-OAHLLOKOSA-N 0 0 334.416 1.397 10 0 EDAERN Cc1cnc(CCN(C)C(=O)NC[C@H](C)N2CCOCC2)s1 ZINC000179096431 442570873 /nfs/dbraw/zinc/57/08/73/442570873.db2.gz XGYXCBFZHXYHCY-LBPRGKRZSA-N 0 0 326.466 1.356 10 0 EDAERN O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135284918 442575118 /nfs/dbraw/zinc/57/51/18/442575118.db2.gz NFTKGXXOMXBTHV-CYBMUJFWSA-N 0 0 336.399 1.681 10 0 EDAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000186619262 442575284 /nfs/dbraw/zinc/57/52/84/442575284.db2.gz ZHMVWJLAAUJYLV-UHFFFAOYSA-N 0 0 330.428 1.725 10 0 EDAERN CN1CCc2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc21 ZINC000180290624 442575473 /nfs/dbraw/zinc/57/54/73/442575473.db2.gz XRMUSDNUTPTFMX-INIZCTEOSA-N 0 0 330.432 1.617 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)N[C@H]1CCOC1 ZINC000179170398 442588755 /nfs/dbraw/zinc/58/87/55/442588755.db2.gz BDKNFLFNGRZWKG-UONOGXRCSA-N 0 0 339.461 1.552 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000135378347 442588890 /nfs/dbraw/zinc/58/88/90/442588890.db2.gz UXPRDNOSLJEHLR-LBPRGKRZSA-N 0 0 341.415 1.742 10 0 EDAERN CN(C(=O)[C@@H](O)c1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000179237145 442602695 /nfs/dbraw/zinc/60/26/95/442602695.db2.gz WVYOQAGFWLPGKA-WBVHZDCISA-N 0 0 326.400 1.637 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000192149962 442603230 /nfs/dbraw/zinc/60/32/30/442603230.db2.gz ZDYUPYISKRFNKK-UHFFFAOYSA-N 0 0 332.466 1.217 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)C(C)C ZINC000179078489 442566867 /nfs/dbraw/zinc/56/68/67/442566867.db2.gz XLUAGJDEFGGWJS-LLVKDONJSA-N 0 0 329.759 1.304 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(C)C ZINC000179083244 442568131 /nfs/dbraw/zinc/56/81/31/442568131.db2.gz IYQRCISHMUVZOE-OAHLLOKOSA-N 0 0 327.384 1.665 10 0 EDAERN CCc1cc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)ccc1C ZINC000180618201 442636359 /nfs/dbraw/zinc/63/63/59/442636359.db2.gz BAFBLXDGDBVEGO-CQSZACIVSA-N 0 0 327.388 1.739 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCc2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000179382729 442636541 /nfs/dbraw/zinc/63/65/41/442636541.db2.gz OPAUBPGJNVRQEW-CZUORRHYSA-N 0 0 330.363 1.427 10 0 EDAERN CC[C@H](C)Oc1cc(CNC(=O)N2CCC[C@@H]2C(=O)NC)ccn1 ZINC000180661466 442644952 /nfs/dbraw/zinc/64/49/52/442644952.db2.gz XZAYPMVQHYXLKR-GXTWGEPZSA-N 0 0 334.420 1.679 10 0 EDAERN CC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000179425565 442645870 /nfs/dbraw/zinc/64/58/70/442645870.db2.gz NEDYOVBSLNPYHK-KBPBESRZSA-N 0 0 333.436 1.234 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@H](C)CN1CCCC1=O ZINC000173166098 442615421 /nfs/dbraw/zinc/61/54/21/442615421.db2.gz AZFFSVNKLPSZOZ-HUUCEWRRSA-N 0 0 333.432 1.902 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000192255958 442623081 /nfs/dbraw/zinc/62/30/81/442623081.db2.gz AFTMHZIDEXUGGA-MRVPVSSYSA-N 0 0 330.182 1.208 10 0 EDAERN CCOc1ccnc(N2CCCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000135789401 442633503 /nfs/dbraw/zinc/63/35/03/442633503.db2.gz OFBLJLPDAYMYSP-UHFFFAOYSA-N 0 0 346.439 1.155 10 0 EDAERN CCO[C@H](CCNC(=O)N1CC(NC(=O)C2CC2)C1)C1CCCC1 ZINC000187410040 442675108 /nfs/dbraw/zinc/67/51/08/442675108.db2.gz GQLDXJRHLZEURA-MRXNPFEDSA-N 0 0 337.464 1.892 10 0 EDAERN CC(=O)Nc1ccc(C)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000187444581 442677482 /nfs/dbraw/zinc/67/74/82/442677482.db2.gz CDNXBDOQPRZJPH-MRXNPFEDSA-N 0 0 331.416 1.500 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000187637327 442683564 /nfs/dbraw/zinc/68/35/64/442683564.db2.gz JIDFALGIWXOFGL-GOSISDBHSA-N 0 0 341.367 1.609 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000181558079 442703341 /nfs/dbraw/zinc/70/33/41/442703341.db2.gz SIMBHUBQHXAUBN-AXFHLTTASA-N 0 0 337.342 1.264 10 0 EDAERN COC(=O)c1ccc(F)c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000181955688 442723351 /nfs/dbraw/zinc/72/33/51/442723351.db2.gz FZUGVBCJRDLXMM-CQSZACIVSA-N 0 0 334.351 1.612 10 0 EDAERN O=C(CNC(=O)NC1CCN(c2cccs2)CC1)NCC1CC1 ZINC000182040149 442731137 /nfs/dbraw/zinc/73/11/37/442731137.db2.gz JTPWRKJYVHLPMQ-UHFFFAOYSA-N 0 0 336.461 1.542 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)CCCOC)ncn1 ZINC000182057710 442732064 /nfs/dbraw/zinc/73/20/64/442732064.db2.gz ZANVPEPJBCTFDP-UONOGXRCSA-N 0 0 335.452 1.666 10 0 EDAERN CCO[C@H](CCNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)C1CCCC1 ZINC000193426033 442741425 /nfs/dbraw/zinc/74/14/25/442741425.db2.gz GBMMJMUOMRXYIY-BZUAXINKSA-N 0 0 326.437 1.070 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)C2=CCOCC2)c2cccs2)CCO1 ZINC000193437527 442742733 /nfs/dbraw/zinc/74/27/33/442742733.db2.gz DALQNKSWRXFHJI-ZFWWWQNUSA-N 0 0 336.457 1.973 10 0 EDAERN Cc1ccc(C)n1-c1nc(CC(=O)N2CCCNC(=O)[C@H]2C)cs1 ZINC000188095811 442711027 /nfs/dbraw/zinc/71/10/27/442711027.db2.gz HIKFYURJSNNDHP-CYBMUJFWSA-N 0 0 346.456 1.830 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181747939 442714306 /nfs/dbraw/zinc/71/43/06/442714306.db2.gz DUXVWEDYLZAFNM-LLVKDONJSA-N 0 0 332.326 1.528 10 0 EDAERN CN(C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1cnn(C)c1 ZINC000188124820 442714384 /nfs/dbraw/zinc/71/43/84/442714384.db2.gz YGIWSNFYVXNFRN-CMPLNLGQSA-N 0 0 326.372 1.730 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccco2)ncn1 ZINC000188731228 442799320 /nfs/dbraw/zinc/79/93/20/442799320.db2.gz VPXMLLIYDHRVDP-LLVKDONJSA-N 0 0 337.405 1.059 10 0 EDAERN O=C(NCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccnc1 ZINC000182331821 442758434 /nfs/dbraw/zinc/75/84/34/442758434.db2.gz CKQSSVXXGWNMRU-HNNXBMFYSA-N 0 0 342.403 1.471 10 0 EDAERN CCOCCN1CCN(C(=O)c2cn3ccnc3s2)C[C@@H]1CC ZINC000188513863 442758919 /nfs/dbraw/zinc/75/89/19/442758919.db2.gz RXSFDMCSKPTXRB-ZDUSSCGKSA-N 0 0 336.461 1.969 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188514478 442759117 /nfs/dbraw/zinc/75/91/17/442759117.db2.gz WZJPFCPUXVTMIH-UHFFFAOYSA-N 0 0 330.384 1.395 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C1)C1CCC1 ZINC000188521729 442760088 /nfs/dbraw/zinc/76/00/88/442760088.db2.gz FXZZYDXDEWMPRM-UHFFFAOYSA-N 0 0 348.403 1.731 10 0 EDAERN CC(C)(C)c1noc(CCCC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188560420 442763555 /nfs/dbraw/zinc/76/35/55/442763555.db2.gz JNHDLWKSIAEPCF-UHFFFAOYSA-N 0 0 348.447 1.817 10 0 EDAERN CCOc1cc(Cl)ccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193665348 442765348 /nfs/dbraw/zinc/76/53/48/442765348.db2.gz HYKSWIDEBQZQRY-ZIAGYGMSSA-N 0 0 340.807 1.337 10 0 EDAERN CC(=O)Nc1cccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1C ZINC000188579571 442765469 /nfs/dbraw/zinc/76/54/69/442765469.db2.gz ORRDCVOIQXBRFZ-HNNXBMFYSA-N 0 0 343.387 1.594 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCC1=O ZINC000193926056 442813246 /nfs/dbraw/zinc/81/32/46/442813246.db2.gz SKPQRNKUKRLDQP-HYSWKAIVSA-N 0 0 332.375 1.783 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(Br)cnc1Cl ZINC000188936295 442845214 /nfs/dbraw/zinc/84/52/14/442845214.db2.gz GGIFJINBWZKHJF-ZETCQYMHSA-N 0 0 346.612 1.848 10 0 EDAERN C[C@H](CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)N1CCOCC1 ZINC000194141179 442850339 /nfs/dbraw/zinc/85/03/39/442850339.db2.gz VDJXKULZONYKHE-OLZOCXBDSA-N 0 0 337.386 1.098 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000163374330 318426165 /nfs/dbraw/zinc/42/61/65/318426165.db2.gz BHKLIEWBAGLPBY-KRWDZBQOSA-N 0 0 347.459 1.354 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000194255671 442866979 /nfs/dbraw/zinc/86/69/79/442866979.db2.gz UKTVFHLQCNROME-ZDUSSCGKSA-N 0 0 335.433 1.740 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)C(=O)c3ccccc3)CC2)n1 ZINC000194291313 442872351 /nfs/dbraw/zinc/87/23/51/442872351.db2.gz GBFDCACZBJVNST-GFCCVEGCSA-N 0 0 328.372 1.466 10 0 EDAERN CN(CC(=O)NC1C2CC3CC(C2)CC1C3)c1ncnc2nc[nH]c21 ZINC000194300174 442874171 /nfs/dbraw/zinc/87/41/71/442874171.db2.gz MTTVRNSSROSPLG-UHFFFAOYSA-N 0 0 340.431 1.730 10 0 EDAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000183078574 442875074 /nfs/dbraw/zinc/87/50/74/442875074.db2.gz COQUVNXBXWFZNA-UKRRQHHQSA-N 0 0 348.447 1.684 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000183178804 442895672 /nfs/dbraw/zinc/89/56/72/442895672.db2.gz PBEBJFAEUGWDEF-CQSZACIVSA-N 0 0 339.399 1.254 10 0 EDAERN Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)CCO3)cn1 ZINC000189193657 442895732 /nfs/dbraw/zinc/89/57/32/442895732.db2.gz DHRYNHIMFWROPZ-GOEBONIOSA-N 0 0 349.412 1.164 10 0 EDAERN C[C@H](O)CNC(=O)c1ccc(OCc2nnc(C3CC3)n2C)cc1 ZINC000194465029 442901663 /nfs/dbraw/zinc/90/16/63/442901663.db2.gz NDAKUVWGDJLCPN-NSHDSACASA-N 0 0 330.388 1.382 10 0 EDAERN CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)cn1 ZINC000189228410 442901647 /nfs/dbraw/zinc/90/16/47/442901647.db2.gz BPVRBFGSDKAKQN-MRXNPFEDSA-N 0 0 335.429 1.974 10 0 EDAERN C[C@@H]1C[C@H](C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000248582776 442902307 /nfs/dbraw/zinc/90/23/07/442902307.db2.gz QJOHFQYGLXJONO-MCIONIFRSA-N 0 0 330.494 1.847 10 0 EDAERN COc1ccc2cc(CNC(=O)N3CC(NC(C)=O)C3)ccc2c1 ZINC000189248744 442905048 /nfs/dbraw/zinc/90/50/48/442905048.db2.gz POBDQICNYDUHFI-UHFFFAOYSA-N 0 0 327.384 1.878 10 0 EDAERN O=C(NCc1ccc2ncccc2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000194595436 442919419 /nfs/dbraw/zinc/91/94/19/442919419.db2.gz HORLQWFRTMNQIV-QGZVFWFLSA-N 0 0 340.427 1.851 10 0 EDAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000194599644 442919567 /nfs/dbraw/zinc/91/95/67/442919567.db2.gz NLCATOJQOFAOES-MAUKXSAKSA-N 0 0 348.443 1.422 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000248721076 442921050 /nfs/dbraw/zinc/92/10/50/442921050.db2.gz BZAQGRNYJIPOST-DIECFANBSA-N 0 0 348.443 1.439 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCOC[C@H]2C)ncn1 ZINC000248735939 442921767 /nfs/dbraw/zinc/92/17/67/442921767.db2.gz BRKMVMWWYIOQJI-MGPQQGTHSA-N 0 0 333.436 1.276 10 0 EDAERN COC(=O)CC1(CC(=O)N2CC[C@@H](N3CCOCC3)C2)CCCC1 ZINC000189331846 442923253 /nfs/dbraw/zinc/92/32/53/442923253.db2.gz XQICNKIPQOSDOV-OAHLLOKOSA-N 0 0 338.448 1.433 10 0 EDAERN CCc1nc(C2(NC(=O)Cc3nnc(NC)s3)CCCC2)no1 ZINC000183599931 442944495 /nfs/dbraw/zinc/94/44/95/442944495.db2.gz NYDRREPCHTWVGV-UHFFFAOYSA-N 0 0 336.421 1.653 10 0 EDAERN CCN(C)C(=O)c1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189446743 442956264 /nfs/dbraw/zinc/95/62/64/442956264.db2.gz MWGUHKDJOBSBIS-UHFFFAOYSA-N 0 0 329.400 1.129 10 0 EDAERN Cc1ccc(Br)nc1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000189506742 442970191 /nfs/dbraw/zinc/97/01/91/442970191.db2.gz UQFOLPSXDINICT-LLVKDONJSA-N 0 0 342.237 1.603 10 0 EDAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C)c(F)c2)C1 ZINC000184062499 442986981 /nfs/dbraw/zinc/98/69/81/442986981.db2.gz TWKPUVRDOFBOCW-CQSZACIVSA-N 0 0 328.409 1.564 10 0 EDAERN C[C@H]1CN(S(=O)(=O)CCc2cccs2)C[C@@H]1N1CCOCC1 ZINC000189703474 442996605 /nfs/dbraw/zinc/99/66/05/442996605.db2.gz VCZSTXXXQFCLEK-ZFWWWQNUSA-N 0 0 344.502 1.273 10 0 EDAERN CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000183658791 442950878 /nfs/dbraw/zinc/95/08/78/442950878.db2.gz CHZDAYGSUFUDKK-TUAOUCFPSA-N 0 0 335.370 1.385 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1c(Cl)cccc1OC)C(C)C ZINC000190030519 443049131 /nfs/dbraw/zinc/04/91/31/443049131.db2.gz JTHJZYVKQWUCOQ-CYBMUJFWSA-N 0 0 327.812 1.918 10 0 EDAERN COC(=O)[C@]1(C)CCCN1Cc1cnc(N2CCOCC2)s1 ZINC000189986724 443043631 /nfs/dbraw/zinc/04/36/31/443043631.db2.gz PJKIUXYUKNPYQU-HNNXBMFYSA-N 0 0 325.434 1.507 10 0 EDAERN CC[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)CC[N@@H+]1CCOC ZINC000255355265 443094737 /nfs/dbraw/zinc/09/47/37/443094737.db2.gz AAEZGXBBURYERG-WRLNGNIRSA-N 0 0 346.427 1.998 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c(C)c1 ZINC000224189635 443096515 /nfs/dbraw/zinc/09/65/15/443096515.db2.gz RDVMNSYOEYJVQM-UHFFFAOYSA-N 0 0 334.445 1.946 10 0 EDAERN Cc1cccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1 ZINC000224358001 443097539 /nfs/dbraw/zinc/09/75/39/443097539.db2.gz GUEJXTFDXWNTAA-UHFFFAOYSA-N 0 0 341.415 1.940 10 0 EDAERN COC(=O)Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N(C)C)n1 ZINC000190140596 443062919 /nfs/dbraw/zinc/06/29/19/443062919.db2.gz PXHQVBZTQJNJNR-INIZCTEOSA-N 0 0 341.411 1.909 10 0 EDAERN CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000254984877 443080690 /nfs/dbraw/zinc/08/06/90/443080690.db2.gz LJFDVVDDDYKVTM-NQHOJNORSA-N 0 0 339.399 1.204 10 0 EDAERN CCN1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1=O ZINC000190571542 443139268 /nfs/dbraw/zinc/13/92/68/443139268.db2.gz NYZMOFFXKFYUEM-RHSMWYFYSA-N 0 0 329.400 1.244 10 0 EDAERN COCCC(C)(C)CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000185136970 443145839 /nfs/dbraw/zinc/14/58/39/443145839.db2.gz VMERQXLPBNQUSW-GFCCVEGCSA-N 0 0 325.413 1.259 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NC3Cc4ccccc4C3)CCO2)[nH]1 ZINC000184934414 443102237 /nfs/dbraw/zinc/10/22/37/443102237.db2.gz KKXZRDMROPRDLX-HNNXBMFYSA-N 0 0 341.415 1.617 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1 ZINC000184953178 443105650 /nfs/dbraw/zinc/10/56/50/443105650.db2.gz GARBEQXFADRKGJ-NVXWUHKLSA-N 0 0 335.423 1.911 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)/C=C\c3cncc(O)c3)CC2)nn1 ZINC000255918013 443115057 /nfs/dbraw/zinc/11/50/57/443115057.db2.gz DIKJAYQNSYRJPI-XQRVVYSFSA-N 0 0 339.399 1.638 10 0 EDAERN NC(=O)CO[C@H]1CCC12CCN(C(=O)c1cn3ccccc3n1)CC2 ZINC000257174006 443116052 /nfs/dbraw/zinc/11/60/52/443116052.db2.gz BFFUCWVXGRLMCR-AWEZNQCLSA-N 0 0 342.399 1.221 10 0 EDAERN Cn1nc(CNC(=O)c2ccc3ncccc3c2)c2c1CCN(C)C2 ZINC000257174293 443116675 /nfs/dbraw/zinc/11/66/75/443116675.db2.gz FIYHLLDINMHKGH-UHFFFAOYSA-N 0 0 335.411 1.886 10 0 EDAERN CC[C@@H]1CN(CCCCCS(=O)(=O)CC)CCN1C[C@@H](C)O ZINC000190523286 443127399 /nfs/dbraw/zinc/12/73/99/443127399.db2.gz AOSOYEFGMSEXKG-HZPDHXFCSA-N 0 0 334.526 1.368 10 0 EDAERN COCC(=O)NC1CN(C(=O)C[C@@H](C)Cc2ccccc2OC)C1 ZINC000185276353 443174068 /nfs/dbraw/zinc/17/40/68/443174068.db2.gz MXWNSBGOAMXCGX-ZDUSSCGKSA-N 0 0 334.416 1.237 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)C(=O)NCCCc1ccccc1 ZINC000190742419 443174266 /nfs/dbraw/zinc/17/42/66/443174266.db2.gz NLKHJNBYPHYJGB-GOSISDBHSA-N 0 0 332.400 1.290 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000190798130 443185179 /nfs/dbraw/zinc/18/51/79/443185179.db2.gz DRCCUFQHMINZPT-ZDUSSCGKSA-N 0 0 331.424 1.693 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000190666926 443160518 /nfs/dbraw/zinc/16/05/18/443160518.db2.gz JOAVPBXKBVZPPZ-MRVPVSSYSA-N 0 0 344.198 1.669 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCOc1ccc(Cl)cc1 ZINC000191109170 443242776 /nfs/dbraw/zinc/24/27/76/443242776.db2.gz UERDTCSLHYSXRK-LLVKDONJSA-N 0 0 325.796 1.639 10 0 EDAERN Cc1cc(C)c(N2CC[C@@H]([NH2+]C[C@H]3CN(C)CCO3)C2=O)c(C)c1 ZINC000190965874 443215562 /nfs/dbraw/zinc/21/55/62/443215562.db2.gz JQVCPASWYBWSGC-DLBZAZTESA-N 0 0 331.460 1.637 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000191188141 443256335 /nfs/dbraw/zinc/25/63/35/443256335.db2.gz YODMVVPVOUMBMA-CQSZACIVSA-N 0 0 341.415 1.351 10 0 EDAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000185801080 443260027 /nfs/dbraw/zinc/26/00/27/443260027.db2.gz RNHZIKFECQZXQB-LBPRGKRZSA-N 0 0 349.435 1.341 10 0 EDAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@H]1CCCn2ncnc21 ZINC000246175038 443275431 /nfs/dbraw/zinc/27/54/31/443275431.db2.gz MDJDPGKRMBYFOA-AAEUAGOBSA-N 0 0 345.382 1.225 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cc(=O)[nH]c(C4CC4)c3)CCO2)[nH]1 ZINC000185929003 443285513 /nfs/dbraw/zinc/28/55/13/443285513.db2.gz MPZZGOGKNYNXCE-CYBMUJFWSA-N 0 0 343.387 1.147 10 0 EDAERN CC(=O)N(Cc1cncnc1)[C@H]1CCCN(c2nccc(C)n2)CC1 ZINC000328631572 444403524 /nfs/dbraw/zinc/40/35/24/444403524.db2.gz KRGUMYTYPZCDKU-KRWDZBQOSA-N 0 0 340.431 1.983 10 0 EDAERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)C1=NN(C)C(=O)CC1 ZINC000328634235 444405735 /nfs/dbraw/zinc/40/57/35/444405735.db2.gz TVRQTTIOWXGBEG-NSHDSACASA-N 0 0 334.445 1.938 10 0 EDAERN Cc1nc(CN2CCC[C@H]2c2nc(C(N)=O)no2)nc2ccccc12 ZINC000328635632 444406704 /nfs/dbraw/zinc/40/67/04/444406704.db2.gz NNFVXLOXIRENIP-ZDUSSCGKSA-N 0 0 338.371 1.757 10 0 EDAERN COc1ccc(CN(CC(N)=O)C[C@@H]2CN(C)CCO2)cc1F ZINC000328646227 444411985 /nfs/dbraw/zinc/41/19/85/444411985.db2.gz SOKDICDYIOSPSC-ZDUSSCGKSA-N 0 0 325.384 1.502 10 0 EDAERN CS(=O)(=O)N1CCc2c(ncn(CCCC3CCCC3)c2=O)C1 ZINC000328607334 444391447 /nfs/dbraw/zinc/39/14/47/444391447.db2.gz VRPWFRFALPAPEJ-UHFFFAOYSA-N 0 0 339.461 1.531 10 0 EDAERN CN(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)cn1 ZINC000575603621 447865949 /nfs/dbraw/zinc/86/59/49/447865949.db2.gz LLITXOGOANRKGD-KBPBESRZSA-N 0 0 337.445 1.337 10 0 EDAERN Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCC(=O)N[C@@H]3C)c2)nn1 ZINC000583242231 448428471 /nfs/dbraw/zinc/42/84/71/448428471.db2.gz OXGZUWIFRXHVKW-DOMZBBRYSA-N 0 0 339.399 1.926 10 0 EDAERN COc1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)ccc1F ZINC000583618223 448447087 /nfs/dbraw/zinc/44/70/87/448447087.db2.gz STTZTMILMHMGAP-QGZVFWFLSA-N 0 0 348.378 1.740 10 0 EDAERN CCc1cnccc1C(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583618987 448448453 /nfs/dbraw/zinc/44/84/53/448448453.db2.gz PSFBAVYCNGPMTP-SFHVURJKSA-N 0 0 343.431 1.940 10 0 EDAERN CCC(CC)n1nc(C(=O)N2CC[C@](O)(c3cn[nH]n3)C2)cc1C ZINC000583618884 448448501 /nfs/dbraw/zinc/44/85/01/448448501.db2.gz XIWJAZCWMWVDLH-MRXNPFEDSA-N 0 0 332.408 1.404 10 0 EDAERN CCc1onc(C)c1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583618991 448448660 /nfs/dbraw/zinc/44/86/60/448448660.db2.gz QJNWBPXASXWXHF-QGZVFWFLSA-N 0 0 347.419 1.842 10 0 EDAERN CC(=O)N1C[C@H](NC(=O)c2cn(C)nc2C)CC[C@H]1C(F)(F)F ZINC000583618814 448449091 /nfs/dbraw/zinc/44/90/91/448449091.db2.gz OMTVORDNCWUXKH-PWSUYJOCSA-N 0 0 332.326 1.400 10 0 EDAERN CC(=O)N1C[C@@H](NC(=O)c2ncccc2O)CC[C@@H]1C(F)(F)F ZINC000583619985 448450459 /nfs/dbraw/zinc/45/04/59/448450459.db2.gz FOLVEUGTFKXPOX-GXSJLCMTSA-N 0 0 331.294 1.459 10 0 EDAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)Nc2cnc3c(c2)CCC3)n1 ZINC000583621461 448451574 /nfs/dbraw/zinc/45/15/74/448451574.db2.gz OODUDEPRMVMIGQ-GXTWGEPZSA-N 0 0 329.360 1.602 10 0 EDAERN CN1C(=O)C[C@@H](NC(=O)c2cccc3nccnc32)[C@@H]1c1cccnc1 ZINC000583621056 448452202 /nfs/dbraw/zinc/45/22/02/448452202.db2.gz SRAIWUFULZVKFF-QAPCUYQASA-N 0 0 347.378 1.727 10 0 EDAERN Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)CCc2ccccn2)o1 ZINC000583621390 448452428 /nfs/dbraw/zinc/45/24/28/448452428.db2.gz ANVUZKHIUCCPFL-JSGCOSHPSA-N 0 0 333.367 1.439 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)NC[C@@]2(C)CCCS2)CCO1 ZINC000583623642 448454267 /nfs/dbraw/zinc/45/42/67/448454267.db2.gz RTWPFCMGMYEVPD-IUODEOHRSA-N 0 0 339.465 1.667 10 0 EDAERN O=C(NCCC[C@@H](CO)NC(=O)c1ccccc1)c1ccccc1 ZINC000584592018 448583007 /nfs/dbraw/zinc/58/30/07/448583007.db2.gz JLGNTUZYBWQNCN-KRWDZBQOSA-N 0 0 326.396 1.988 10 0 EDAERN COC(=O)c1cc(I)c2c(ccc[n+]2[O-])c1 ZINC000584640875 448588806 /nfs/dbraw/zinc/58/88/06/448588806.db2.gz GYYHQTNNWVXUQO-UHFFFAOYSA-N 0 0 329.093 1.864 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1[NH2+]CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000616571453 450453169 /nfs/dbraw/zinc/45/31/69/450453169.db2.gz XLRSHSZPPPCTNS-RKDXNWHRSA-N 0 0 325.331 1.310 10 0 EDAERN CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccc(OC)cc3)O[C@@H]2[C@@H](O)[C@H]1O ZINC000616589878 450453948 /nfs/dbraw/zinc/45/39/48/450453948.db2.gz MBJNBNGPOLEMKC-TWHJKIGZSA-N 0 0 342.413 1.309 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1ccc(N)nc1 ZINC000616597702 450454695 /nfs/dbraw/zinc/45/46/95/450454695.db2.gz QPTICTGQRYHLMZ-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ccccc2C(=O)[O-])C1 ZINC000616634366 450456197 /nfs/dbraw/zinc/45/61/97/450456197.db2.gz QMMJCVSKMBMBLS-HNNXBMFYSA-N 0 0 349.431 1.856 10 0 EDAERN COc1cc(Cl)ccc1CN1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625628187 450457807 /nfs/dbraw/zinc/45/78/07/450457807.db2.gz BAOZSNPZYUTQOP-GDBMZVCRSA-N 0 0 337.807 1.706 10 0 EDAERN Cc1ccc2c(CCC(=O)N3C[C@@H](O)[C@H](n4ccnn4)C3)c[nH]c2c1 ZINC000630013724 450953399 /nfs/dbraw/zinc/95/33/99/450953399.db2.gz NJJTZNPVKGSHEA-IAGOWNOFSA-N 0 0 339.399 1.445 10 0 EDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cl)ccc1Br ZINC000629224794 451603253 /nfs/dbraw/zinc/60/32/53/451603253.db2.gz OFCPCTNUHBDGIP-QWRGUYRKSA-N 0 0 334.597 1.982 10 0 EDAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccc(Cl)c(Br)c1 ZINC000629241151 451613843 /nfs/dbraw/zinc/61/38/43/451613843.db2.gz FQPYICVBOIEAFB-WDEREUQCSA-N 0 0 334.597 1.982 10 0 EDAERN O=C(Cc1ccc(Br)cc1F)N[C@H]1CCOC[C@@H]1O ZINC000629240220 451614164 /nfs/dbraw/zinc/61/41/64/451614164.db2.gz PZKDIBDADIVGCZ-RYUDHWBXSA-N 0 0 332.169 1.397 10 0 EDAERN CC1(C)C(CNC(=O)N2CC[C@@H](n3cc(C(N)=O)nn3)C2)C1(C)C ZINC000644493169 451809546 /nfs/dbraw/zinc/80/95/46/451809546.db2.gz RLSKAASNALLRHO-SNVBAGLBSA-N 0 0 334.424 1.016 10 0 EDAERN CO[C@]1(c2nnc(CN(C)Cc3cc(Cl)cn3C)o2)CCOC1 ZINC000644252858 453202556 /nfs/dbraw/zinc/20/25/56/453202556.db2.gz XRAVPGJUJHWGHV-OAHLLOKOSA-N 0 0 340.811 1.956 10 0 EDAERN CN1CCS(=O)(=O)C[C@H]1CC(=O)NC1(c2ccccc2F)CC1 ZINC000644356924 453344618 /nfs/dbraw/zinc/34/46/18/453344618.db2.gz VSJBMDSBDRZHDE-GFCCVEGCSA-N 0 0 340.420 1.050 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)NCCc1cccc2[nH]ccc21 ZINC000644469470 453495067 /nfs/dbraw/zinc/49/50/67/453495067.db2.gz NRNKNHFRFVYGRI-MRXNPFEDSA-N 0 0 329.400 1.200 10 0 EDAERN Cc1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)cc1Cl ZINC000074775030 486798728 /nfs/dbraw/zinc/79/87/28/486798728.db2.gz ZDAZMBRRZGBRLS-GFCCVEGCSA-N 0 0 332.853 1.600 10 0 EDAERN Cc1nc2ccc(C(=O)N(C)C[C@H]3CN(C)CCO3)cc2nc1C ZINC000074884960 486807107 /nfs/dbraw/zinc/80/71/07/486807107.db2.gz CQICXMBXFQGGGC-OAHLLOKOSA-N 0 0 328.416 1.649 10 0 EDAERN CNC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(OC)cc3)n2)C1 ZINC000064928293 490996725 /nfs/dbraw/zinc/99/67/25/490996725.db2.gz OSGFDHXMVOHMEF-CYBMUJFWSA-N 0 0 342.399 1.204 10 0 EDAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000122940860 491001611 /nfs/dbraw/zinc/00/16/11/491001611.db2.gz JHLDKGZRSFBCER-SCLBCKFNSA-N 0 0 344.415 1.446 10 0 EDAERN C[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc(S(N)(=O)=O)cc1 ZINC000192796383 500650507 /nfs/dbraw/zinc/65/05/07/500650507.db2.gz ZIQBJUZWGCRPDJ-VIFPVBQESA-N 0 0 335.385 1.690 10 0 EDAERN C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173950671 533732332 /nfs/dbraw/zinc/73/23/32/533732332.db2.gz UFKZSUJFQJLENI-ZFWWWQNUSA-N 0 0 326.400 1.918 10 0 EDAERN C[C@H](NC(=O)c1c(F)cccc1Br)C(=O)NC1CC1 ZINC000161000388 533741881 /nfs/dbraw/zinc/74/18/81/533741881.db2.gz MGCMIBSFPREXHM-ZETCQYMHSA-N 0 0 329.169 1.985 10 0 EDAERN C[C@H](CC(N)=O)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000136106312 533760774 /nfs/dbraw/zinc/76/07/74/533760774.db2.gz ORMBLXWPXWWURI-MRVPVSSYSA-N 0 0 327.793 1.430 10 0 EDAERN COC(=O)c1cc(F)ccc1S(=O)(=O)NCCn1cc(C)cn1 ZINC000132200438 533849681 /nfs/dbraw/zinc/84/96/81/533849681.db2.gz ZJHSTHLUVKSORC-UHFFFAOYSA-N 0 0 341.364 1.096 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@@H]1N1CCOCC1 ZINC000173957321 533874408 /nfs/dbraw/zinc/87/44/08/533874408.db2.gz JJKREGHBERJDPW-YOEHRIQHSA-N 0 0 341.415 1.060 10 0 EDAERN C[C@H]1CN(Cc2cc(Cl)cc3c2OCOC3)CCS1(=O)=O ZINC000155398201 533951106 /nfs/dbraw/zinc/95/11/06/533951106.db2.gz AXXQLZXHJWPYJQ-JTQLQIEISA-N 0 0 331.821 1.825 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(C(N)=S)c(Cl)c2)CC[C@@H]1O ZINC000166289396 533968295 /nfs/dbraw/zinc/96/82/95/533968295.db2.gz XJPUWIVUJXAPTB-UFBFGSQYSA-N 0 0 348.877 1.366 10 0 EDAERN COc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171399799 534019425 /nfs/dbraw/zinc/01/94/25/534019425.db2.gz GLRDPOGPKWSHRH-AWEZNQCLSA-N 0 0 346.362 1.870 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c(F)cc1F ZINC000175804126 534036355 /nfs/dbraw/zinc/03/63/55/534036355.db2.gz ISDZJIWMVJCRBG-LBPRGKRZSA-N 0 0 346.399 1.368 10 0 EDAERN Cc1cc(C)c(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c(C)c1 ZINC000187977611 534069650 /nfs/dbraw/zinc/06/96/50/534069650.db2.gz QMFUWSTWSIGJRQ-UHFFFAOYSA-N 0 0 329.400 1.287 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(NC=O)cc3)CCO2)n1 ZINC000174771758 534114207 /nfs/dbraw/zinc/11/42/07/534114207.db2.gz LMVHEBONYDXYBC-KRWDZBQOSA-N 0 0 342.399 1.609 10 0 EDAERN COC(=O)N[C@@H](C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1)C(C)C ZINC000180888284 534141216 /nfs/dbraw/zinc/14/12/16/534141216.db2.gz POTMIEAKJCGEIK-CYBMUJFWSA-N 0 0 349.366 1.854 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177982901 534165239 /nfs/dbraw/zinc/16/52/39/534165239.db2.gz FTBPCGKIKBLQEO-AWEZNQCLSA-N 0 0 342.399 1.830 10 0 EDAERN COC(=O)Nc1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000171581672 534193561 /nfs/dbraw/zinc/19/35/61/534193561.db2.gz RQPUTTXFHBXEME-CQSZACIVSA-N 0 0 329.360 1.934 10 0 EDAERN Cc1ccc(-c2noc([C@H](C)S(=O)(=O)C[C@H](O)CO)n2)cc1F ZINC000177673856 534234929 /nfs/dbraw/zinc/23/49/29/534234929.db2.gz SUXZTVDMFXMWQP-GXSJLCMTSA-N 0 0 344.364 1.013 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C[C@@H](C)O1 ZINC000181681615 534296024 /nfs/dbraw/zinc/29/60/24/534296024.db2.gz BEOKQOGOCROGTR-VXGBXAGGSA-N 0 0 328.372 1.651 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2cccc(N(C)C)n2)C[C@@H]1N1CCOCC1 ZINC000164334590 534321118 /nfs/dbraw/zinc/32/11/18/534321118.db2.gz MAYUACZWJMYQCS-ZBFHGGJFSA-N 0 0 347.463 1.010 10 0 EDAERN O=C(Nc1cccc(Br)n1)[C@H]1CCCCS1(=O)=O ZINC000168500434 534325801 /nfs/dbraw/zinc/32/58/01/534325801.db2.gz JWFNXKSKTAJJGE-MRVPVSSYSA-N 0 0 333.207 1.750 10 0 EDAERN NC(=O)NC(=O)CN1CCCCc2cc(Br)ccc21 ZINC000179465033 534386265 /nfs/dbraw/zinc/38/62/65/534386265.db2.gz FORUCAYDNJMXRF-UHFFFAOYSA-N 0 0 326.194 1.787 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000192698060 534570795 /nfs/dbraw/zinc/57/07/95/534570795.db2.gz MWWHKSUOEUCIGI-LLVKDONJSA-N 0 0 338.433 1.332 10 0 EDAERN O=C(COc1ccc(F)cc1Br)N1CCOC[C@@H]1CO ZINC000168487386 534622687 /nfs/dbraw/zinc/62/26/87/534622687.db2.gz RHMIBUQQCPHURU-JTQLQIEISA-N 0 0 348.168 1.187 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000170553331 534703369 /nfs/dbraw/zinc/70/33/69/534703369.db2.gz HGSDZWWYTLLINR-UHFFFAOYSA-N 0 0 331.353 1.081 10 0 EDAERN O=C(c1cccc(-n2ccnn2)c1)N1CCC(Nc2cccnn2)CC1 ZINC000131820981 534733303 /nfs/dbraw/zinc/73/33/03/534733303.db2.gz RYIYMJHQVUPGKW-UHFFFAOYSA-N 0 0 349.398 1.774 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)s1 ZINC000174774139 534734960 /nfs/dbraw/zinc/73/49/60/534734960.db2.gz STUHOROGSLGXLU-INIZCTEOSA-N 0 0 331.441 1.829 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@@H]1COc2ccccc2C1=O)C(C)C ZINC000181605884 527665573 /nfs/dbraw/zinc/66/55/73/527665573.db2.gz LVQFRTHFQJHSGO-RHSMWYFYSA-N 0 0 346.427 1.933 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1COc2ccccc2C1=O)C(C)C ZINC000181605869 527668531 /nfs/dbraw/zinc/66/85/31/527668531.db2.gz LVQFRTHFQJHSGO-PBHICJAKSA-N 0 0 346.427 1.933 10 0 EDAERN CCCCn1ncc(NCC[S@@](C)=O)c(Br)c1=O ZINC000158655267 527707681 /nfs/dbraw/zinc/70/76/81/527707681.db2.gz ZRBUYMBTGJIROV-SFHVURJKSA-N 0 0 336.255 1.596 10 0 EDAERN CCC[C@@H]1C(=O)NCCN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000179525940 527731592 /nfs/dbraw/zinc/73/15/92/527731592.db2.gz DPIPPPLPSJDESR-JKSUJKDBSA-N 0 0 340.851 1.818 10 0 EDAERN CC(C)OC(=O)[C@H](C)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000173351180 527849948 /nfs/dbraw/zinc/84/99/48/527849948.db2.gz JDOUKCNMICOETQ-CYBMUJFWSA-N 0 0 336.436 1.897 10 0 EDAERN CCC1CCC(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000164106017 527850065 /nfs/dbraw/zinc/85/00/65/527850065.db2.gz ICWJGIZPRWXWCN-MOKVOYLWSA-N 0 0 331.482 1.536 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc3nnn(C)c3c2)C12CCOCC2 ZINC000187113273 527933556 /nfs/dbraw/zinc/93/35/56/527933556.db2.gz NJORFVRNPQZOAW-JKSUJKDBSA-N 0 0 344.415 1.672 10 0 EDAERN CC(C)CN1C(=O)C(c2ccc(F)cc2)=C(N2CCOCC2)C1=O ZINC000169985575 527956627 /nfs/dbraw/zinc/95/66/27/527956627.db2.gz UOEFOJXRRUWJBB-UHFFFAOYSA-N 0 0 332.375 1.894 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1C ZINC000171665338 528120756 /nfs/dbraw/zinc/12/07/56/528120756.db2.gz TZYFVOIZGNGTGR-CYBMUJFWSA-N 0 0 345.403 1.877 10 0 EDAERN CC(C)c1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174010479 528191717 /nfs/dbraw/zinc/19/17/17/528191717.db2.gz WXERAPXTYLMGHM-HNNXBMFYSA-N 0 0 345.443 1.682 10 0 EDAERN CC(C)C[C@@H](CNC(=O)N1CC[C@]2(CCOC2)C1)N1CCOCC1 ZINC000156979554 528322557 /nfs/dbraw/zinc/32/25/57/528322557.db2.gz PGOLOKJMHRNSOK-WMZOPIPTSA-N 0 0 339.480 1.555 10 0 EDAERN CCOC(=O)c1nnc(S[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)o1 ZINC000169189363 528380859 /nfs/dbraw/zinc/38/08/59/528380859.db2.gz BNIQTSWYFFAJNT-RKDXNWHRSA-N 0 0 334.419 1.694 10 0 EDAERN CCOC(=O)c1nnc(Sc2ccccc2S(N)(=O)=O)o1 ZINC000169216139 528381525 /nfs/dbraw/zinc/38/15/25/528381525.db2.gz WZDDHCTWMOUJII-UHFFFAOYSA-N 0 0 329.359 1.045 10 0 EDAERN CCNS(=O)(=O)c1ccc(F)c(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000155146582 528383772 /nfs/dbraw/zinc/38/37/72/528383772.db2.gz NJXVQVCEPRMYIF-PHIMTYICSA-N 0 0 344.408 1.373 10 0 EDAERN CCC[NH2+]CC1CCN(c2nc[n-]c(=O)c2Br)CC1 ZINC000165321306 528471807 /nfs/dbraw/zinc/47/18/07/528471807.db2.gz VJCAFLNVVLFRPL-UHFFFAOYSA-N 0 0 329.242 1.748 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCc1cccc(O)c1)CC2 ZINC000181550518 528474685 /nfs/dbraw/zinc/47/46/85/528474685.db2.gz UXDZXANPHWWSQG-AWEZNQCLSA-N 0 0 343.431 1.964 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1cccc(C(=O)NCC)c1 ZINC000184267602 528482521 /nfs/dbraw/zinc/48/25/21/528482521.db2.gz DKBJNTVRKJNFOF-KRWDZBQOSA-N 0 0 347.459 1.553 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000158659027 528614333 /nfs/dbraw/zinc/61/43/33/528614333.db2.gz HPNIZUOPNNUWGD-GJZGRUSLSA-N 0 0 337.395 1.955 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000162710607 528615394 /nfs/dbraw/zinc/61/53/94/528615394.db2.gz LHBPDIXGRGBASO-OCCSQVGLSA-N 0 0 349.349 1.968 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCNC(=O)N(C)C ZINC000180642000 529218585 /nfs/dbraw/zinc/21/85/85/529218585.db2.gz ZNIKZPOJGLNHIG-DZGCQCFKSA-N 0 0 348.447 1.219 10 0 EDAERN CC1(CNC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)COC1 ZINC000333458783 535143841 /nfs/dbraw/zinc/14/38/41/535143841.db2.gz PAPVUVXEECCXDK-UHFFFAOYSA-N 0 0 332.404 1.738 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000132589606 535398939 /nfs/dbraw/zinc/39/89/39/535398939.db2.gz JFYOERPDHWAPNL-CQSZACIVSA-N 0 0 336.436 1.808 10 0 EDAERN CC[C@@H](C(=O)[O-])[NH+]1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000262348335 535436507 /nfs/dbraw/zinc/43/65/07/535436507.db2.gz GWOFTUUJPGMKHU-INIZCTEOSA-N 0 0 334.416 1.887 10 0 EDAERN CCCc1nc(CS(=O)(=O)Cc2nnnn2C(C)C)cs1 ZINC000195426370 535533367 /nfs/dbraw/zinc/53/33/67/535533367.db2.gz OKYHPROLGYLKSR-UHFFFAOYSA-N 0 0 329.451 1.778 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2F)C[C@H]1C ZINC000247050762 535606306 /nfs/dbraw/zinc/60/63/06/535606306.db2.gz JNHYLAUNVQBRMP-GFCCVEGCSA-N 0 0 348.415 1.696 10 0 EDAERN CN(C)c1ncc(NC(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000154431882 536163229 /nfs/dbraw/zinc/16/32/29/536163229.db2.gz OILCSDPQRSIRRM-UHFFFAOYSA-N 0 0 329.408 1.683 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@](C)(O)c1ccccc1)CC2 ZINC000114978298 536164210 /nfs/dbraw/zinc/16/42/10/536164210.db2.gz SCXXCIMTBVBNSJ-KDOFPFPSSA-N 0 0 343.431 1.362 10 0 EDAERN CN[C@H](C(=O)NCC(=O)Nc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000262584489 536381162 /nfs/dbraw/zinc/38/11/62/536381162.db2.gz VBZQVGGOBORUPU-AWEZNQCLSA-N 0 0 335.795 1.089 10 0 EDAERN CN[C@H](C(=O)NC[C@H](C)Oc1cccc(Cl)c1)c1cnn(C)c1 ZINC000262330949 536383344 /nfs/dbraw/zinc/38/33/44/536383344.db2.gz DSHRHAMAONUUBP-NHYWBVRUSA-N 0 0 336.823 1.918 10 0 EDAERN COC(=O)[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1 ZINC000125713040 536730684 /nfs/dbraw/zinc/73/06/84/536730684.db2.gz UIFCPUHRUYEYKU-MRXNPFEDSA-N 0 0 336.351 1.911 10 0 EDAERN COc1ccc(F)c2[nH]c(C(=O)N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)cc21 ZINC000888079248 590936079 /nfs/dbraw/zinc/93/60/79/590936079.db2.gz ONZIRPZQVRMKCC-NORZTCDRSA-N 0 0 344.346 1.616 10 0 EDAERN CO[C@@H]1CCN(Cc2nc(C(=O)NCCc3nc(C)oc3C)co2)C1 ZINC000888095185 591025300 /nfs/dbraw/zinc/02/53/00/591025300.db2.gz MEPXEYBCNXXJJJ-CYBMUJFWSA-N 0 0 348.403 1.473 10 0 EDAERN Cc1noc([C@@H]2COCCN2C2CN(c3nc(C)cnc3C)C2)n1 ZINC000888098359 591029006 /nfs/dbraw/zinc/02/90/06/591029006.db2.gz GOHOABJVRDCHGC-AWEZNQCLSA-N 0 0 330.392 1.047 10 0 EDAERN Cn1ccnc1[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)C1CCOCC1 ZINC000897713932 591639430 /nfs/dbraw/zinc/63/94/30/591639430.db2.gz NDPQMHPDAKHVKC-HUUCEWRRSA-N 0 0 334.464 1.877 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899071169 591671738 /nfs/dbraw/zinc/67/17/38/591671738.db2.gz CQLYKFBAAXSOCQ-ZDUSSCGKSA-N 0 0 347.444 1.551 10 0 EDAERN COCc1ncsc1C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899085025 591677929 /nfs/dbraw/zinc/67/79/29/591677929.db2.gz HMIDVJQFHYHAAX-NSHDSACASA-N 0 0 333.417 1.846 10 0 EDAERN Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)cn1 ZINC000897975315 591728300 /nfs/dbraw/zinc/72/83/00/591728300.db2.gz GNFIQKPBKUSDBS-DZGCQCFKSA-N 0 0 331.420 1.554 10 0 EDAERN C[C@H](OC(=O)Cn1c2ccccc2nc1SC(F)F)C(N)=O ZINC000007320320 595786267 /nfs/dbraw/zinc/78/62/67/595786267.db2.gz YMSOFHKQFGUQNH-ZETCQYMHSA-N 0 0 329.328 1.768 10 0 EDAERN Cc1nnc(COC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1C ZINC000118995895 596355502 /nfs/dbraw/zinc/35/55/02/596355502.db2.gz XFLMIVBLUZCYDG-CZUORRHYSA-N 0 0 346.362 1.525 10 0 EDAERN C[C@H]1CC[C@H](C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)O1 ZINC000124023731 596866608 /nfs/dbraw/zinc/86/66/08/596866608.db2.gz IVTIUJIQHUMHTG-SMDDNHRTSA-N 0 0 332.356 1.191 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NN1CCCCC1)C(C)C ZINC000127308598 597692017 /nfs/dbraw/zinc/69/20/17/597692017.db2.gz PLWLNJGZBGINSH-INIZCTEOSA-N 0 0 333.432 1.967 10 0 EDAERN COCCOc1cccc(CNC(=O)Cn2ccc([C@@H](C)O)n2)c1 ZINC000128927039 598124117 /nfs/dbraw/zinc/12/41/17/598124117.db2.gz VPUQCXGFRAOXCM-CYBMUJFWSA-N 0 0 333.388 1.278 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)OC2CCN(C=O)CC2)[C@H]1c1ccccc1 ZINC000181956382 700205864 /nfs/dbraw/zinc/20/58/64/700205864.db2.gz UGLQSAMAEGJKFW-FUHWJXTLSA-N 0 0 344.411 1.760 10 0 EDAERN COC(=O)C1CCC(C(=O)NCc2ccnc(-n3ccnc3)c2)CC1 ZINC000180206547 698688899 /nfs/dbraw/zinc/68/88/99/698688899.db2.gz CSPPKPSVMIQWBB-UHFFFAOYSA-N 0 0 342.399 1.863 10 0 EDAERN COCC(=O)NC1CN(C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000185088440 698917095 /nfs/dbraw/zinc/91/70/95/698917095.db2.gz ODIWEUUSYFMFQT-ZDUSSCGKSA-N 0 0 348.321 1.065 10 0 EDAERN C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186647107 712034632 /nfs/dbraw/zinc/03/46/32/712034632.db2.gz HPNKWBDJQLDIJG-RDJZCZTQSA-N 0 0 329.444 1.288 10 0 EDAERN CNC(=O)[C@H]1CCCN1CC(=O)c1sccc1Br ZINC000050154499 214048531 /nfs/dbraw/zinc/04/85/31/214048531.db2.gz RIVXHAVMQHGHIF-SECBINFHSA-N 0 0 331.235 1.904 10 0 EDAERN Nc1cnccc1S(=O)(=O)CC(=O)Nc1ccccc1Cl ZINC000050472299 214058406 /nfs/dbraw/zinc/05/84/06/214058406.db2.gz MGTLAWAFCPRAPQ-UHFFFAOYSA-N 0 0 325.777 1.730 10 0 EDAERN CCCN(C1CC1)S(=O)(=O)c1cc(Br)cnc1N ZINC000050652575 214064074 /nfs/dbraw/zinc/06/40/74/214064074.db2.gz IOAHFOHDTCVYCD-UHFFFAOYSA-N 0 0 334.239 1.989 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)N1CC[C@H](C)C1 ZINC000050669643 214064988 /nfs/dbraw/zinc/06/49/88/214064988.db2.gz WPMKOFLIYZUEAW-QMMMGPOBSA-N 0 0 334.239 1.916 10 0 EDAERN C[C@@H](NC(=O)c1cc(Br)cnc1N)c1nncn1C ZINC000050705499 214066670 /nfs/dbraw/zinc/06/66/70/214066670.db2.gz QEJTYDSSRKBYQL-ZCFIWIBFSA-N 0 0 325.170 1.046 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1CCC[C@@H](CO)C1 ZINC000050711513 214067855 /nfs/dbraw/zinc/06/78/55/214067855.db2.gz XRKQUVIDDHRNMK-SECBINFHSA-N 0 0 328.210 1.730 10 0 EDAERN CSCC[C@@H](NC(=O)n1ccnc1)N1C(=O)c2ccccc2C1=O ZINC000053994517 214209946 /nfs/dbraw/zinc/20/99/46/214209946.db2.gz XFSRQYXGMZUIQJ-ZDUSSCGKSA-N 0 0 344.396 1.816 10 0 EDAERN Fc1cc(F)c(-n2nnnc2CNC2CC2)c(Br)c1 ZINC000054745039 214254054 /nfs/dbraw/zinc/25/40/54/214254054.db2.gz HUZBVKQTKIIDRV-UHFFFAOYSA-N 0 0 330.136 1.955 10 0 EDAERN C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000173061947 230872444 /nfs/dbraw/zinc/87/24/44/230872444.db2.gz UIOAMNMSTWRBGC-MRVPVSSYSA-N 0 0 343.829 1.504 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(=O)[nH]n1 ZINC000187430418 529400873 /nfs/dbraw/zinc/40/08/73/529400873.db2.gz ZWVREUQBOTYPJV-IAQYHMDHSA-N 0 0 328.372 1.965 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c(Cl)c1 ZINC000173998106 231094763 /nfs/dbraw/zinc/09/47/63/231094763.db2.gz JVJZRFRUCXWISI-ZDUSSCGKSA-N 0 0 344.864 1.744 10 0 EDAERN Cc1c(O)ccc2c(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)cc(=O)oc12 ZINC000173983043 231089623 /nfs/dbraw/zinc/08/96/23/231089623.db2.gz LQACJODGNCOFNZ-OAHLLOKOSA-N 0 0 344.411 1.714 10 0 EDAERN CNC(=O)CN1CCN(c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000056938088 214396735 /nfs/dbraw/zinc/39/67/35/214396735.db2.gz NFGKPKHMKNVZKS-UHFFFAOYSA-N 0 0 327.432 1.357 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)n(C)n1 ZINC000177665063 529538318 /nfs/dbraw/zinc/53/83/18/529538318.db2.gz VYDHLAZAPZERMP-CQSZACIVSA-N 0 0 344.419 1.290 10 0 EDAERN CCNC(=O)CN(C)CC(=O)Nc1ccc(N)cc1Br ZINC000049725866 214030218 /nfs/dbraw/zinc/03/02/18/214030218.db2.gz WWRJMGMQRHRZRL-UHFFFAOYSA-N 0 0 343.225 1.038 10 0 EDAERN CCc1cnc(CNC(=O)N2CCN(C[C@H](O)CC)CC2)s1 ZINC000181865796 529648400 /nfs/dbraw/zinc/64/84/00/529648400.db2.gz QWNAEOQGERVELH-GFCCVEGCSA-N 0 0 326.466 1.304 10 0 EDAERN COc1cccc(-c2nnc(C(=O)N3CCC4(CC3)OCCO4)o2)c1 ZINC000049684819 214026577 /nfs/dbraw/zinc/02/65/77/214026577.db2.gz ITRHORHAPQDLFK-UHFFFAOYSA-N 0 0 345.355 1.724 10 0 EDAERN CCOC(=O)N1CCN(C(=O)c2cc3c4c(c2)CC(=O)N4CC3)CC1 ZINC000049659533 214025520 /nfs/dbraw/zinc/02/55/20/214025520.db2.gz PDKOEGCBBLHOND-UHFFFAOYSA-N 0 0 343.383 1.046 10 0 EDAERN COc1ccccc1NC(=O)c1cnn([C@H]2CCS(=O)(=O)C2)c1C ZINC000049658412 214025467 /nfs/dbraw/zinc/02/54/67/214025467.db2.gz UJEDCAYZXZLWAS-LBPRGKRZSA-N 0 0 349.412 1.812 10 0 EDAERN COC(=O)CS(=O)(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000049525193 214013975 /nfs/dbraw/zinc/01/39/75/214013975.db2.gz VHBFGILIWOOJRM-MRVPVSSYSA-N 0 0 336.207 1.603 10 0 EDAERN COC(=O)[C@H]1C[C@H](Oc2ccc(I)cc2)CN1 ZINC000098088871 219082450 /nfs/dbraw/zinc/08/24/50/219082450.db2.gz UQRMSAXNEKUVAC-WDEREUQCSA-N 0 0 347.152 1.574 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)Cn2ccc(=O)[nH]c2=O)o1 ZINC000129441811 529712692 /nfs/dbraw/zinc/71/26/92/529712692.db2.gz SSEPHTJIASQUBT-ZDUSSCGKSA-N 0 0 331.372 1.446 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CC3(CS(C)(=O)=O)CC3)C2)c1 ZINC000176778864 231731837 /nfs/dbraw/zinc/73/18/37/231731837.db2.gz GSOQLGUEBWQYCG-CQSZACIVSA-N 0 0 339.461 1.570 10 0 EDAERN CCc1nc([C@H]2C[N@H+](C)CCCN2C)[n-]c(=O)c1Br ZINC000166134646 529747325 /nfs/dbraw/zinc/74/73/25/529747325.db2.gz SHYMDPODDOPMHS-SNVBAGLBSA-N 0 0 329.242 1.403 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1c(C)nn(C)c1C ZINC000153088479 529749516 /nfs/dbraw/zinc/74/95/16/529749516.db2.gz KNGQWOSIWBGLBF-LBPRGKRZSA-N 0 0 332.408 1.221 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc2c(c1)OCO2 ZINC000151229599 529750324 /nfs/dbraw/zinc/75/03/24/529750324.db2.gz HBHGXTORMVGURD-GFCCVEGCSA-N 0 0 328.372 1.763 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)c2cnn(CC)c2)C1 ZINC000130761285 529760063 /nfs/dbraw/zinc/76/00/63/529760063.db2.gz RLPOQCLMWUYOGY-CQSZACIVSA-N 0 0 329.404 1.708 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(N)cc(Br)c2)C1 ZINC000166100903 529784289 /nfs/dbraw/zinc/78/42/89/529784289.db2.gz UGUPJQPHSWVEAD-LBPRGKRZSA-N 0 0 328.210 1.092 10 0 EDAERN COc1ccc(F)cc1S(=O)(=O)N1CC(c2nc(C)no2)C1 ZINC000049482220 214011338 /nfs/dbraw/zinc/01/13/38/214011338.db2.gz STCJZQBXMHVKLQ-UHFFFAOYSA-N 0 0 327.337 1.314 10 0 EDAERN CN(C)c1ncc(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)cn1 ZINC000162873057 529811660 /nfs/dbraw/zinc/81/16/60/529811660.db2.gz FEIZOTSQNYHBRE-OAHLLOKOSA-N 0 0 339.399 1.675 10 0 EDAERN COCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004435676 210191853 /nfs/dbraw/zinc/19/18/53/210191853.db2.gz AXZUTKYMYIOTDE-INIZCTEOSA-N 0 0 346.358 1.482 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](C)COCc2ccccc2)cn1 ZINC000173337631 529876820 /nfs/dbraw/zinc/87/68/20/529876820.db2.gz KDPCUVZMJOGIGT-ZDUSSCGKSA-N 0 0 345.403 1.356 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000170896560 529947072 /nfs/dbraw/zinc/94/70/72/529947072.db2.gz VDZFSAPGGMYOHD-INIZCTEOSA-N 0 0 341.415 1.826 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000177674983 231954384 /nfs/dbraw/zinc/95/43/84/231954384.db2.gz YIPRNQCGXSKELJ-OIRASMEMSA-N 0 0 348.424 1.794 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000101563272 219137414 /nfs/dbraw/zinc/13/74/14/219137414.db2.gz ZGQJFZMHRAOKAA-AWEZNQCLSA-N 0 0 342.443 1.846 10 0 EDAERN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C[C@@H](O)C(C)C)c1 ZINC000158806230 530035745 /nfs/dbraw/zinc/03/57/45/530035745.db2.gz YWTBKINUYPWVOL-BXUZGUMPSA-N 0 0 328.434 1.179 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)CNC(=O)c1cccnc1 ZINC000178200715 232106536 /nfs/dbraw/zinc/10/65/36/232106536.db2.gz ZMPRPZPVPQZHKO-CQSZACIVSA-N 0 0 327.384 1.533 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2cccc(OC)n2)C1 ZINC000102013816 219181016 /nfs/dbraw/zinc/18/10/16/219181016.db2.gz ZOSAOQGNBBVTSK-AWEZNQCLSA-N 0 0 334.420 1.681 10 0 EDAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000066317914 215032984 /nfs/dbraw/zinc/03/29/84/215032984.db2.gz OXDATOJMPVVPCP-BFHYXJOUSA-N 0 0 326.462 1.858 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000245734339 539595976 /nfs/dbraw/zinc/59/59/76/539595976.db2.gz BCPUQDNHWRPXRB-STQMWFEESA-N 0 0 332.466 1.264 10 0 EDAERN COc1ccc(Cl)c(NS(=O)(=O)c2ccc[nH]c2=NN)c1 ZINC000043318832 213577423 /nfs/dbraw/zinc/57/74/23/213577423.db2.gz ONBWJEUWAGUBDQ-UHFFFAOYSA-N 0 0 328.781 1.830 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)C(=O)NC(C)(C)C ZINC000067700649 215189928 /nfs/dbraw/zinc/18/99/28/215189928.db2.gz ZKKPIFSIZKJTNH-NWDGAFQWSA-N 0 0 334.420 1.616 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC(F)(F)CO)[C@@H]1c1ccccc1 ZINC000186078376 282608502 /nfs/dbraw/zinc/60/85/02/282608502.db2.gz ZPIUMXCYBUFFGL-OCCSQVGLSA-N 0 0 326.343 1.340 10 0 EDAERN COc1ccccc1OCc1cc(C(=O)N2CCC[C@H]2C(N)=O)n[nH]1 ZINC000067819834 215222080 /nfs/dbraw/zinc/22/20/80/215222080.db2.gz MHUAZIBCHJDLGU-ZDUSSCGKSA-N 0 0 344.371 1.087 10 0 EDAERN COC[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000103431903 219298471 /nfs/dbraw/zinc/29/84/71/219298471.db2.gz WGIWSKABPKMICZ-CQSZACIVSA-N 0 0 340.445 1.192 10 0 EDAERN COC[C@H](C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000103431149 219298701 /nfs/dbraw/zinc/29/87/01/219298701.db2.gz SGXFMQWFYZUDEO-ZDUSSCGKSA-N 0 0 336.407 1.963 10 0 EDAERN CC(=O)NCCCCNC(=O)CCc1ccc(C(=O)N(C)C)cc1 ZINC000041338881 213440669 /nfs/dbraw/zinc/44/06/69/213440669.db2.gz IOGMEKOVDJDRKB-UHFFFAOYSA-N 0 0 333.432 1.354 10 0 EDAERN CC(C)[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OC(C)(C)C ZINC000669381135 539742411 /nfs/dbraw/zinc/74/24/11/539742411.db2.gz YVVAFTTXCDQWPH-LBPRGKRZSA-N 0 0 328.409 1.907 10 0 EDAERN Cc1ccc2cc(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)[nH]c2c1 ZINC000041186319 213430434 /nfs/dbraw/zinc/43/04/34/213430434.db2.gz VHUVIGKCXITMBP-CQSZACIVSA-N 0 0 348.424 1.072 10 0 EDAERN [NH3+]CCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000040826896 213391317 /nfs/dbraw/zinc/39/13/17/213391317.db2.gz LGYIRRMSAQMHNB-UHFFFAOYSA-N 0 0 343.193 1.745 10 0 EDAERN Cn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2ccc(Cl)cc21 ZINC000040788967 213386927 /nfs/dbraw/zinc/38/69/27/213386927.db2.gz QGAXFOCUTNOGNE-LLVKDONJSA-N 0 0 326.805 1.749 10 0 EDAERN Cn1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2ccc(Cl)cc21 ZINC000040788968 213386803 /nfs/dbraw/zinc/38/68/03/213386803.db2.gz QGAXFOCUTNOGNE-NSHDSACASA-N 0 0 326.805 1.749 10 0 EDAERN COC(=O)C1CCC(C(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000180136614 290929963 /nfs/dbraw/zinc/92/99/63/290929963.db2.gz NWGBCUZPJORDCV-UHFFFAOYSA-N 0 0 346.427 1.870 10 0 EDAERN CC(=O)Nc1nc(C(=O)[O-])c(CN(C)C2CC[NH+](C)CC2)s1 ZINC000040707513 213372338 /nfs/dbraw/zinc/37/23/38/213372338.db2.gz ZPWGVBMCNFFBAT-UHFFFAOYSA-N 0 0 326.422 1.326 10 0 EDAERN CCCS(=O)(=O)c1ccccc1N[C@H]1CCCS(=O)(=O)C1 ZINC000069145031 215364523 /nfs/dbraw/zinc/36/45/23/215364523.db2.gz NFVVIGOYDUSGMI-LBPRGKRZSA-N 0 0 331.459 1.859 10 0 EDAERN Nc1cc(-c2nnnn2[C@@H]2CCCS(=O)(=O)C2)ccc1Cl ZINC000069146010 215364766 /nfs/dbraw/zinc/36/47/66/215364766.db2.gz NGAWMZGEJVULRW-SECBINFHSA-N 0 0 327.797 1.325 10 0 EDAERN CCN(C(C)=O)c1nc(CN[C@H]2CCCS(=O)(=O)C2)cs1 ZINC000069142071 215363273 /nfs/dbraw/zinc/36/32/73/215363273.db2.gz SCIHOVPXTZECKX-NSHDSACASA-N 0 0 331.463 1.183 10 0 EDAERN O=C(CCCCc1cccs1)N1CCO[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000040666275 213366012 /nfs/dbraw/zinc/36/60/12/213366012.db2.gz ZNKKPXVIJWFGFD-KBPBESRZSA-N 0 0 343.470 1.485 10 0 EDAERN COCCNC(=O)Nc1ccc(N2CCCS2(=O)=O)c(C)c1 ZINC000040655038 213364780 /nfs/dbraw/zinc/36/47/80/213364780.db2.gz BOBRVHCOLOVSMX-UHFFFAOYSA-N 0 0 327.406 1.303 10 0 EDAERN O=C1[C@H](O)N=C(c2ccccc2)c2cc(Cl)ccc2N1CCO ZINC000002005522 209811408 /nfs/dbraw/zinc/81/14/08/209811408.db2.gz ZPCPWNCFYGEMEO-INIZCTEOSA-N 0 0 330.771 1.835 10 0 EDAERN CCOCCC1(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000157456304 539975235 /nfs/dbraw/zinc/97/52/35/539975235.db2.gz LZGZLCPHHLDGAW-ZDUSSCGKSA-N 0 0 344.411 1.994 10 0 EDAERN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000183440470 235078385 /nfs/dbraw/zinc/07/83/85/235078385.db2.gz LPDKOOFPFPZDBY-BBRMVZONSA-N 0 0 342.399 1.803 10 0 EDAERN CCCCOCCNC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105805847 219534508 /nfs/dbraw/zinc/53/45/08/219534508.db2.gz GLGQLIWXACUPOO-UHFFFAOYSA-N 0 0 335.452 1.286 10 0 EDAERN CCCc1cc(=O)n(CC(=O)Nc2cccc(NC(C)=O)c2)cn1 ZINC000038509969 213212524 /nfs/dbraw/zinc/21/25/24/213212524.db2.gz UQFJCKBISZLVMT-UHFFFAOYSA-N 0 0 328.372 1.793 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3cnc(C4CC4)nc3)CCO2)[nH]1 ZINC000177081412 540103532 /nfs/dbraw/zinc/10/35/32/540103532.db2.gz GONFDQZFEOYPJC-GFCCVEGCSA-N 0 0 329.364 1.386 10 0 EDAERN O=C(CCN1CCCS1(=O)=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179454016 540117788 /nfs/dbraw/zinc/11/77/88/540117788.db2.gz DNUGNZUAKHKGBI-OAHLLOKOSA-N 0 0 340.420 1.745 10 0 EDAERN CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1F ZINC000182737253 540133903 /nfs/dbraw/zinc/13/39/03/540133903.db2.gz AMCQNOPVMPVFBX-TVQRCGJNSA-N 0 0 346.366 1.523 10 0 EDAERN CCc1nnc(CN[C@@H](CO)c2cccc(Br)c2)n1C ZINC000183901303 235256650 /nfs/dbraw/zinc/25/66/50/235256650.db2.gz MJXYTDOEZOXKAU-LBPRGKRZSA-N 0 0 339.237 1.963 10 0 EDAERN CCOc1cnc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cn1 ZINC000189472238 540165033 /nfs/dbraw/zinc/16/50/33/540165033.db2.gz CYPUYJDABZKPPD-UHFFFAOYSA-N 0 0 329.404 1.931 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)Nc3ccncc3F)CC2)n1 ZINC000184166847 235321943 /nfs/dbraw/zinc/32/19/43/235321943.db2.gz VPJKHDRXQXESHN-UHFFFAOYSA-N 0 0 346.366 1.764 10 0 EDAERN COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1sc(Cl)nc1C ZINC000038109171 213203076 /nfs/dbraw/zinc/20/30/76/213203076.db2.gz QOVGOOMASIAUDM-LURJTMIESA-N 0 0 326.827 1.535 10 0 EDAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105855102 219562275 /nfs/dbraw/zinc/56/22/75/219562275.db2.gz DUFIVCJYTAKUTH-LBPRGKRZSA-N 0 0 338.362 1.893 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(Cc3c(C)nn(C)c3Cl)CC2)n1 ZINC000105870317 219571456 /nfs/dbraw/zinc/57/14/56/219571456.db2.gz RFFMIQQEZIOICT-LLVKDONJSA-N 0 0 338.843 1.952 10 0 EDAERN C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(F)c(Cl)c1 ZINC000056998937 138153043 /nfs/dbraw/zinc/15/30/43/138153043.db2.gz TYSNCMSALJCCHR-MRVPVSSYSA-N 0 0 341.770 1.987 10 0 EDAERN O=C(NCCc1nnc2n1CCCCC2)NC[C@H]1CCCC[C@H]1O ZINC000077758769 138254704 /nfs/dbraw/zinc/25/47/04/138254704.db2.gz IDFNYLUKIYJWNW-ZIAGYGMSSA-N 0 0 335.452 1.397 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(C)ccc1F ZINC000083755023 138269478 /nfs/dbraw/zinc/26/94/78/138269478.db2.gz QFBAUTCUNWJURP-LBPRGKRZSA-N 0 0 331.351 1.624 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CC(=O)NCCCOc2cccc(C)c2)C1 ZINC000080025476 138263445 /nfs/dbraw/zinc/26/34/45/138263445.db2.gz FPROUGYEFSVRCQ-QGZVFWFLSA-N 0 0 347.459 1.481 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000081584400 138267323 /nfs/dbraw/zinc/26/73/23/138267323.db2.gz BHDHUKNCDFITFQ-OLZOCXBDSA-N 0 0 349.435 1.937 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000091778856 138284947 /nfs/dbraw/zinc/28/49/47/138284947.db2.gz SAUZGVVKAPZWED-GFCCVEGCSA-N 0 0 349.387 1.199 10 0 EDAERN COC(=O)[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 ZINC000089785777 138275176 /nfs/dbraw/zinc/27/51/76/138275176.db2.gz XWGCCMILMNMSIK-MRXNPFEDSA-N 0 0 336.351 1.911 10 0 EDAERN CCCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C)n1CC ZINC000091049958 138281493 /nfs/dbraw/zinc/28/14/93/138281493.db2.gz AHCNIWISSVEZRR-LLVKDONJSA-N 0 0 330.454 1.216 10 0 EDAERN Cc1c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cnn1C(C)C ZINC000092462649 138288989 /nfs/dbraw/zinc/28/89/89/138288989.db2.gz TWUQBWPIGQSMBJ-AWEZNQCLSA-N 0 0 328.420 1.961 10 0 EDAERN COC(=O)CCCS(=O)(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000118432306 138312734 /nfs/dbraw/zinc/31/27/34/138312734.db2.gz WFSSCNBOUOGISN-CYBMUJFWSA-N 0 0 343.449 1.457 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000125047916 138331722 /nfs/dbraw/zinc/33/17/22/138331722.db2.gz UJZNWORZOHLAPL-SNVBAGLBSA-N 0 0 325.796 1.767 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)Nc3ccnn3C)CC2)cn1 ZINC000125639345 138335233 /nfs/dbraw/zinc/33/52/33/138335233.db2.gz FCBWUJANVBWQJE-UHFFFAOYSA-N 0 0 345.451 1.766 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3ccsc3)CCO2)n1 ZINC000125842045 138336482 /nfs/dbraw/zinc/33/64/82/138336482.db2.gz RZRVGLGLNDTOTK-CQSZACIVSA-N 0 0 348.428 1.428 10 0 EDAERN CC(C)(CNC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccncc1 ZINC000130235622 138340406 /nfs/dbraw/zinc/34/04/06/138340406.db2.gz IBUABSDSASKORM-INIZCTEOSA-N 0 0 332.448 1.475 10 0 EDAERN COc1cc(NS(=O)(=O)c2sc(=O)[nH]c2C)cc(OC)c1 ZINC000037856284 213172030 /nfs/dbraw/zinc/17/20/30/213172030.db2.gz IXIVOEMUIMGNKX-UHFFFAOYSA-N 0 0 330.387 1.975 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105920609 219595163 /nfs/dbraw/zinc/59/51/63/219595163.db2.gz JQIGKOXTKQJLLL-OAHLLOKOSA-N 0 0 333.363 1.710 10 0 EDAERN NC(=O)COc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000152098307 138467313 /nfs/dbraw/zinc/46/73/13/138467313.db2.gz UNXXYENCMFCABB-UHFFFAOYSA-N 0 0 343.387 1.685 10 0 EDAERN COc1ccc(-c2cc(C(=O)N3[C@@H](C)COC[C@@H]3C)[nH]c(=O)n2)cc1 ZINC000036236776 213078760 /nfs/dbraw/zinc/07/87/60/213078760.db2.gz KRDQENHWVCFCCK-RYUDHWBXSA-N 0 0 343.383 1.695 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)CCc2ccccc2)C[C@@H]1C ZINC000036124355 213071805 /nfs/dbraw/zinc/07/18/05/213071805.db2.gz FDGAHGBQOPAYFD-HOTGVXAUSA-N 0 0 340.489 1.600 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC000036124280 213071208 /nfs/dbraw/zinc/07/12/08/213071208.db2.gz SCTUBKRYCDWAHD-HUUCEWRRSA-N 0 0 326.462 1.557 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)(C)CO1 ZINC000036102805 213067174 /nfs/dbraw/zinc/06/71/74/213067174.db2.gz IGYDKIUDZMVTCU-SNVBAGLBSA-N 0 0 340.401 1.320 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)c(C)c2)no1 ZINC000036100875 213066813 /nfs/dbraw/zinc/06/68/13/213066813.db2.gz UDLUUDMRJIDIQX-LBPRGKRZSA-N 0 0 337.401 1.905 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000126638198 138612390 /nfs/dbraw/zinc/61/23/90/138612390.db2.gz XBWMMZBFLBLHBP-RDJZCZTQSA-N 0 0 349.479 1.704 10 0 EDAERN C[C@@H](CNS(=O)(=O)Cc1cccc2cccnc21)N1CCOCC1 ZINC000109843427 295970578 /nfs/dbraw/zinc/97/05/78/295970578.db2.gz GYJLFFTZKUJVDL-AWEZNQCLSA-N 0 0 349.456 1.375 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000171353930 138656267 /nfs/dbraw/zinc/65/62/67/138656267.db2.gz GPYUXGGEJZDWIR-STQMWFEESA-N 0 0 328.372 1.244 10 0 EDAERN CN(CC(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000035020546 213004788 /nfs/dbraw/zinc/00/47/88/213004788.db2.gz FGAWUZCNOHIHIC-LBPRGKRZSA-N 0 0 346.246 1.751 10 0 EDAERN Cc1ccc(C(=O)CCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172742446 138666857 /nfs/dbraw/zinc/66/68/57/138666857.db2.gz ZQTSOOCNAPJGSW-QGZVFWFLSA-N 0 0 330.428 1.891 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)COc3cc(C)ccc3C)CCO2)[nH]1 ZINC000173528561 138671173 /nfs/dbraw/zinc/67/11/73/138671173.db2.gz NCYRFOLUOFZRJJ-HNNXBMFYSA-N 0 0 330.388 1.709 10 0 EDAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccncc3)cc2)CC1 ZINC000071710532 215797483 /nfs/dbraw/zinc/79/74/83/215797483.db2.gz SUTMCMLCIGDUJQ-UHFFFAOYSA-N 0 0 345.424 1.601 10 0 EDAERN O=C(C1=CCCCO1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174966683 138690034 /nfs/dbraw/zinc/69/00/34/138690034.db2.gz CAKYEXKJSVBRSR-UHFFFAOYSA-N 0 0 332.404 1.676 10 0 EDAERN CCc1nn(C)cc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000179815529 138755461 /nfs/dbraw/zinc/75/54/61/138755461.db2.gz ZREJIYAQDXNNHS-CQSZACIVSA-N 0 0 333.413 1.631 10 0 EDAERN O=C(NCCCOC[C@H]1CCOC1)N1CCC(c2cc[nH]n2)CC1 ZINC000181001976 138763648 /nfs/dbraw/zinc/76/36/48/138763648.db2.gz SCCKKEIFVWEADN-CQSZACIVSA-N 0 0 336.436 1.742 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@](C)(O)c1ccc(F)cc1 ZINC000089255952 291209122 /nfs/dbraw/zinc/20/91/22/291209122.db2.gz NSRAFNLKHWYAAJ-PBHICJAKSA-N 0 0 340.395 1.920 10 0 EDAERN C[C@@H]1C[C@H](C(=O)NCCN2CCS(=O)(=O)CC2)CC(C)(C)C1 ZINC000183261845 138782950 /nfs/dbraw/zinc/78/29/50/138782950.db2.gz UAIGIAPRKSWJOO-KGLIPLIRSA-N 0 0 330.494 1.295 10 0 EDAERN O=S1(=O)C[C@H](O)[C@@H](Nc2c(F)cc(F)cc2Br)C1 ZINC000037692781 213162969 /nfs/dbraw/zinc/16/29/69/213162969.db2.gz LSCRTRMHVWQMJZ-IUCAKERBSA-N 0 0 342.161 1.297 10 0 EDAERN [NH3+][C@H](CCSCC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000037735539 213164109 /nfs/dbraw/zinc/16/41/09/213164109.db2.gz PSDASFIQAATCGV-SNVBAGLBSA-N 0 0 347.234 1.923 10 0 EDAERN Cc1cc(S(=O)(=O)NCc2nc[nH]n2)ccc1Br ZINC000037921438 213173584 /nfs/dbraw/zinc/17/35/84/213173584.db2.gz PEXBMMKCZBSULR-UHFFFAOYSA-N 0 0 331.195 1.354 10 0 EDAERN CSc1nc2nc(C)c3c(ccn(Cc4ccccn4)c3=O)n2n1 ZINC000072449562 216239114 /nfs/dbraw/zinc/23/91/14/216239114.db2.gz DANAKONPCXNUKN-UHFFFAOYSA-N 0 0 338.396 1.913 10 0 EDAERN CCc1ccc(-n2ccc3c(nnc4c(C(=O)OC)cnn43)c2=O)cc1 ZINC000072466079 216247240 /nfs/dbraw/zinc/24/72/40/216247240.db2.gz OQWIRPCSYXHMFA-UHFFFAOYSA-N 0 0 349.350 1.777 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CO)Cc1cccc(C)c1 ZINC000190243145 238325543 /nfs/dbraw/zinc/32/55/43/238325543.db2.gz TVWOVZLLZCEGHS-CVEARBPZSA-N 0 0 343.431 1.633 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000188407317 138840616 /nfs/dbraw/zinc/84/06/16/138840616.db2.gz CCAKNWHBAYBBOU-BXKDBHETSA-N 0 0 345.168 1.508 10 0 EDAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188859368 138853947 /nfs/dbraw/zinc/85/39/47/138853947.db2.gz BBQJNIYRCPAWDX-CABCVRRESA-N 0 0 346.427 1.713 10 0 EDAERN O=C(c1ccnc(F)c1F)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188934162 138856154 /nfs/dbraw/zinc/85/61/54/138856154.db2.gz LCHQHCFZZIIJAC-OAHLLOKOSA-N 0 0 347.365 1.851 10 0 EDAERN O=C(NCCCn1ncccc1=O)c1ccc(Br)cc1 ZINC000023241736 212363377 /nfs/dbraw/zinc/36/33/77/212363377.db2.gz BIVCTKYJXLSXBR-UHFFFAOYSA-N 0 0 336.189 1.826 10 0 EDAERN COC(=O)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171792508 283790928 /nfs/dbraw/zinc/79/09/28/283790928.db2.gz CKUXHNRAUWLDOX-PBHICJAKSA-N 0 0 332.400 1.666 10 0 EDAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000330179845 296084709 /nfs/dbraw/zinc/08/47/09/296084709.db2.gz MVMDFBXQRBPLLF-GNBUJSLZSA-N 0 0 345.439 1.634 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Oc2ccccc2)o1 ZINC000133108633 223389343 /nfs/dbraw/zinc/38/93/43/223389343.db2.gz OAQNLBKHWIXCOA-CQSZACIVSA-N 0 0 346.383 1.495 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000189898359 138882442 /nfs/dbraw/zinc/88/24/42/138882442.db2.gz UXFQLUOPZDQVJP-BRWVUGGUSA-N 0 0 348.443 1.115 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000190291347 138888432 /nfs/dbraw/zinc/88/84/32/138888432.db2.gz XZAIAOHVBHJHIC-NSHDSACASA-N 0 0 343.387 1.370 10 0 EDAERN COc1ccc(NC(=O)C2CC2)cc1CN1C(=O)[C@H]2CCCN2C1=O ZINC000020529825 212143912 /nfs/dbraw/zinc/14/39/12/212143912.db2.gz FQCNMGWDSCJIED-CQSZACIVSA-N 0 0 343.383 1.970 10 0 EDAERN O=C(NCc1cccc2c1OCCCO2)N[C@@H]1CCc2ncnn2C1 ZINC000133854377 223452163 /nfs/dbraw/zinc/45/21/63/223452163.db2.gz HAVFYEOCJLKKHK-CYBMUJFWSA-N 0 0 343.387 1.254 10 0 EDAERN C[C@@H](Oc1ccc(Br)cc1CO)C(=O)N1CCOCC1 ZINC000020298054 212117095 /nfs/dbraw/zinc/11/70/95/212117095.db2.gz LJLALYFRIXNLTN-SNVBAGLBSA-N 0 0 344.205 1.568 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cnc(Cl)cn3)C2)n1 ZINC000192761465 138953133 /nfs/dbraw/zinc/95/31/33/138953133.db2.gz DKSJFAMXFGDQHD-GFCCVEGCSA-N 0 0 334.811 1.891 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000193264520 138965117 /nfs/dbraw/zinc/96/51/17/138965117.db2.gz YQUZCXLDAKIKCD-NVXWUHKLSA-N 0 0 348.443 1.461 10 0 EDAERN CCOC(=O)CN(C(=O)CN1[C@H](C)COC[C@H]1C)c1ccccc1 ZINC000077657872 216950451 /nfs/dbraw/zinc/95/04/51/216950451.db2.gz KPRSVPNAFDHEDK-HUUCEWRRSA-N 0 0 334.416 1.692 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)C(=O)c3ccccc3)CC2)s1 ZINC000194292361 138989272 /nfs/dbraw/zinc/98/92/72/138989272.db2.gz XRIDGZIGUODTED-UHFFFAOYSA-N 0 0 329.425 1.979 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccc2ccccc2c1 ZINC000195115650 139007389 /nfs/dbraw/zinc/00/73/89/139007389.db2.gz OPEPATMGOHOMIK-SJLPKXTDSA-N 0 0 342.395 1.317 10 0 EDAERN C[C@H](C(N)=S)N(C)S(=O)(=O)c1sccc1Br ZINC000045146841 213709330 /nfs/dbraw/zinc/70/93/30/213709330.db2.gz SXZVAORQZVNFAA-RXMQYKEDSA-N 0 0 343.293 1.806 10 0 EDAERN Cn1nccc1C1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000195502461 139018334 /nfs/dbraw/zinc/01/83/34/139018334.db2.gz FSHKZRVKTPLWIS-UHFFFAOYSA-N 0 0 341.415 1.948 10 0 EDAERN COC(=O)[C@@H](C)S(=O)(=O)N(CCC(N)=S)c1ccccc1 ZINC000049063691 213982969 /nfs/dbraw/zinc/98/29/69/213982969.db2.gz KQZCNCNDJACPER-SNVBAGLBSA-N 0 0 330.431 1.061 10 0 EDAERN Cc1nc(CNS(=O)(=O)c2ccccc2C(N)=S)cs1 ZINC000049534703 214015656 /nfs/dbraw/zinc/01/56/56/214015656.db2.gz YJOFIZNANANUPW-UHFFFAOYSA-N 0 0 327.456 1.564 10 0 EDAERN COc1cccc(CNC(=O)CN2CCO[C@H](c3nccs3)C2)c1 ZINC000195521528 139019899 /nfs/dbraw/zinc/01/98/99/139019899.db2.gz ADUDCUMOOSLIOA-HNNXBMFYSA-N 0 0 347.440 1.841 10 0 EDAERN O=C(c1cc(Cl)sc1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000227766588 139022520 /nfs/dbraw/zinc/02/25/20/139022520.db2.gz GVAJXJSTALWGTO-LLVKDONJSA-N 0 0 334.184 1.479 10 0 EDAERN O=C(CCC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1cccs1 ZINC000111084249 220097616 /nfs/dbraw/zinc/09/76/16/220097616.db2.gz OPTDXWQPCOWDNX-CYBMUJFWSA-N 0 0 333.413 1.835 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n1 ZINC000111345138 220142667 /nfs/dbraw/zinc/14/26/67/220142667.db2.gz BHVJTNPNLWNYKC-KRWDZBQOSA-N 0 0 349.456 1.731 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccncc3)C2=O)n(C)n1 ZINC000080659371 217323510 /nfs/dbraw/zinc/32/35/10/217323510.db2.gz SHIZWKDZBVOFKH-CQSZACIVSA-N 0 0 342.403 1.118 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)CCC(=O)NCCNC(C)=O)cc1 ZINC000111539276 220164697 /nfs/dbraw/zinc/16/46/97/220164697.db2.gz VHPRRZCQXKTLMQ-CYBMUJFWSA-N 0 0 333.432 1.459 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111620599 220172956 /nfs/dbraw/zinc/17/29/56/220172956.db2.gz SQMVPXYXZNOQOE-CQSZACIVSA-N 0 0 345.424 1.781 10 0 EDAERN COc1ncccc1CNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111814914 220196132 /nfs/dbraw/zinc/19/61/32/220196132.db2.gz XTRNBIBWZYXTGB-GFCCVEGCSA-N 0 0 334.401 1.830 10 0 EDAERN C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111838360 220203055 /nfs/dbraw/zinc/20/30/55/220203055.db2.gz UWODSURIKCFGQB-YOEHRIQHSA-N 0 0 344.415 1.630 10 0 EDAERN COc1cccc(CNC(=O)CN(C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000081567195 217419684 /nfs/dbraw/zinc/41/96/84/217419684.db2.gz MIIUIWSDUQJSEJ-ZDUSSCGKSA-N 0 0 336.432 1.973 10 0 EDAERN Cc1ccc(-n2[n-]c(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc2=O)cc1 ZINC000245452949 139075394 /nfs/dbraw/zinc/07/53/94/139075394.db2.gz FBDFCLOCHZODRC-ZBFHGGJFSA-N 0 0 340.427 1.783 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3cn4ccccc4n3)CCO2)c1 ZINC000112061774 220236016 /nfs/dbraw/zinc/23/60/16/220236016.db2.gz QSSARSHIRQCWTR-MRXNPFEDSA-N 0 0 339.399 1.309 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000245472089 139076497 /nfs/dbraw/zinc/07/64/97/139076497.db2.gz YOUPRBCJABVGMB-RBSFLKMASA-N 0 0 348.447 1.983 10 0 EDAERN OC[C@@H]1CCCN1c1cc(N2CCC(n3ccnc3)CC2)ncn1 ZINC000112078070 220238776 /nfs/dbraw/zinc/23/87/76/220238776.db2.gz GJLULLIENUNUKQ-HNNXBMFYSA-N 0 0 328.420 1.476 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn(C)c1-n1cccc1 ZINC000081813334 217448409 /nfs/dbraw/zinc/44/84/09/217448409.db2.gz AZJKSVNCSGUZIU-ZDUSSCGKSA-N 0 0 325.376 1.376 10 0 EDAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000245766786 139085745 /nfs/dbraw/zinc/08/57/45/139085745.db2.gz WOEKTVKSGSTLEB-PJODQICGSA-N 0 0 346.427 1.681 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N[C@@H]2CCCn3nc(C)nc32)n1 ZINC000083693026 217551987 /nfs/dbraw/zinc/55/19/87/217551987.db2.gz MTEKQSRNWQRZJE-CQSZACIVSA-N 0 0 331.424 1.624 10 0 EDAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000246063299 139093553 /nfs/dbraw/zinc/09/35/53/139093553.db2.gz ZJOBCPFFPDFZOR-WDMOLILDSA-N 0 0 334.322 1.474 10 0 EDAERN CN(C(=O)[C@H]1CSCCS1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246217465 139099755 /nfs/dbraw/zinc/09/97/55/139099755.db2.gz YWIVTMJLYVCYKZ-CHWSQXEVSA-N 0 0 338.502 1.752 10 0 EDAERN COC(=O)[C@@H](c1cccnc1)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000246407411 139107264 /nfs/dbraw/zinc/10/72/64/139107264.db2.gz KRCLPQRAIOXMNF-CZUORRHYSA-N 0 0 330.388 1.942 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000088280960 217745274 /nfs/dbraw/zinc/74/52/74/217745274.db2.gz QBEAPTVIHMMCNE-QWRGUYRKSA-N 0 0 337.424 1.705 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C[C@@H]1C ZINC000247080268 139134890 /nfs/dbraw/zinc/13/48/90/139134890.db2.gz GZMUYYKHJHMPNL-QXDIGNSFSA-N 0 0 339.524 1.968 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CCO2)[nH]1 ZINC000247201879 139140248 /nfs/dbraw/zinc/14/02/48/139140248.db2.gz ULYAEBJXVYFONO-ZENOOKHLSA-N 0 0 343.431 1.752 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C[C@H]1C ZINC000247229742 139141524 /nfs/dbraw/zinc/14/15/24/139141524.db2.gz RDRVQMIWHGKHIW-KZNAEPCWSA-N 0 0 347.503 1.947 10 0 EDAERN C[C@@H](CS(C)(=O)=O)N(C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000247559340 139152349 /nfs/dbraw/zinc/15/23/49/139152349.db2.gz ZXJSIMIXGMXKNS-WMLDXEAASA-N 0 0 341.473 1.462 10 0 EDAERN C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCCCC3)c2)C1=O ZINC000012004751 211279443 /nfs/dbraw/zinc/27/94/43/211279443.db2.gz BQVNOKCFFBRMQJ-LBPRGKRZSA-N 0 0 336.413 1.625 10 0 EDAERN CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248625851 139168937 /nfs/dbraw/zinc/16/89/37/139168937.db2.gz OAPRBYAZBANIBV-YNEHKIRRSA-N 0 0 332.466 1.961 10 0 EDAERN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785186 218065813 /nfs/dbraw/zinc/06/58/13/218065813.db2.gz ATGQVNOMGBRTPB-SWLSCSKDSA-N 0 0 334.416 1.464 10 0 EDAERN CCn1cc([C@H]2CN([C@H](C)C(=O)Nc3cc(C)no3)CCO2)cn1 ZINC000248829731 139176906 /nfs/dbraw/zinc/17/69/06/139176906.db2.gz YGMPHGKUSXQGAL-TZMCWYRMSA-N 0 0 333.392 1.600 10 0 EDAERN CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)Nc1ccccc1 ZINC000009696639 211116317 /nfs/dbraw/zinc/11/63/17/211116317.db2.gz JRARFUGHEXFUEV-TZMCWYRMSA-N 0 0 349.456 1.916 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000249124218 139186768 /nfs/dbraw/zinc/18/67/68/139186768.db2.gz ZTVDJBWABPULGL-VXGBXAGGSA-N 0 0 346.349 1.656 10 0 EDAERN O=C(CSc1ccc(Br)cc1)N1CCCNC(=O)C1 ZINC000112208559 220261874 /nfs/dbraw/zinc/26/18/74/220261874.db2.gz BNUQAUFSHGGGKD-UHFFFAOYSA-N 0 0 343.246 1.890 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1c(C)nn(C)c1C ZINC000249352836 139191613 /nfs/dbraw/zinc/19/16/13/139191613.db2.gz WZTQNCXMWRRQRH-KBMXLJTQSA-N 0 0 333.432 1.912 10 0 EDAERN CCOc1c(Cl)cc([C@@H]2NC(=O)[C@H]3COCCN32)cc1OC ZINC000093884016 218255180 /nfs/dbraw/zinc/25/51/80/218255180.db2.gz URTPHOZBLSOFSC-BXUZGUMPSA-N 0 0 326.780 1.577 10 0 EDAERN COC[C@@H]1CN(C(=O)N[C@H](C)c2nnc3n2CCCC3)C[C@@H](C)O1 ZINC000251517312 139201758 /nfs/dbraw/zinc/20/17/58/139201758.db2.gz CMBKPSAQIFPIFO-UPJWGTAASA-N 0 0 337.424 1.121 10 0 EDAERN CC(C)CC(=O)Nc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 ZINC000008907028 211017787 /nfs/dbraw/zinc/01/77/87/211017787.db2.gz KWDWSHBLOQFLDU-UHFFFAOYSA-N 0 0 330.344 1.300 10 0 EDAERN COC(=O)c1cn(-c2ccc(OC)cc2OC)cc(C(=O)OC)c1=O ZINC000008730416 210993427 /nfs/dbraw/zinc/99/34/27/210993427.db2.gz KFOCDUXDYPOBMX-UHFFFAOYSA-N 0 0 347.323 1.428 10 0 EDAERN CCCOc1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC)c1 ZINC000008565831 210967118 /nfs/dbraw/zinc/96/71/18/210967118.db2.gz SKFDJHZOUWFLID-HNNXBMFYSA-N 0 0 348.399 1.369 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N2CCc3n[nH]cc3C2)[C@@H]1c1ccc(F)cc1 ZINC000095442263 218386294 /nfs/dbraw/zinc/38/62/94/218386294.db2.gz VHUKWMDKMCVKBB-PBHICJAKSA-N 0 0 342.374 1.653 10 0 EDAERN O=C1CNCCN1[C@@H]1CCCN(Cc2cnc(C(F)(F)F)s2)C1 ZINC000261999478 139242905 /nfs/dbraw/zinc/24/29/05/139242905.db2.gz TZFDNRWXYKAWMO-SNVBAGLBSA-N 0 0 348.394 1.558 10 0 EDAERN Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1S(N)(=O)=O ZINC000007964777 210870508 /nfs/dbraw/zinc/87/05/08/210870508.db2.gz UOQIMNVFEFBNRR-AWEZNQCLSA-N 0 0 346.408 1.896 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(Br)c(F)c1 ZINC000168864926 533039546 /nfs/dbraw/zinc/03/95/46/533039546.db2.gz NBCXFVJLKQCHDQ-KCJUWKMLSA-N 0 0 346.152 1.337 10 0 EDAERN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ncccn1 ZINC000112519105 220342530 /nfs/dbraw/zinc/34/25/30/220342530.db2.gz GOSRBZQYOQQGSK-NWDGAFQWSA-N 0 0 348.428 1.558 10 0 EDAERN COc1cc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)ccc1F ZINC000190649965 533097970 /nfs/dbraw/zinc/09/79/70/533097970.db2.gz OTSZDVCEEPEEHP-LLVKDONJSA-N 0 0 340.380 1.452 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccccc1OC[C@@H]1CCCO1 ZINC000112653453 220365238 /nfs/dbraw/zinc/36/52/38/220365238.db2.gz QENUSMWFXDFKFU-KGLIPLIRSA-N 0 0 342.399 1.581 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccn(-c2ccccc2F)n1 ZINC000112660222 220366995 /nfs/dbraw/zinc/36/69/95/220366995.db2.gz FUQMIWBPUVLWNJ-NSHDSACASA-N 0 0 326.335 1.348 10 0 EDAERN COc1cccc(CO[C@@H](C)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112662546 220368136 /nfs/dbraw/zinc/36/81/36/220368136.db2.gz SOKNHTGCNPGALL-JSGCOSHPSA-N 0 0 330.388 1.323 10 0 EDAERN CCCCOc1ncccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112746300 220395177 /nfs/dbraw/zinc/39/51/77/220395177.db2.gz AYYYDPPNAUHEPU-CQSZACIVSA-N 0 0 344.419 1.666 10 0 EDAERN COc1ccc(OC)c(CCNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112745631 220395428 /nfs/dbraw/zinc/39/54/28/220395428.db2.gz RPGYDWYJBRSYOD-ZDUSSCGKSA-N 0 0 345.403 1.152 10 0 EDAERN Cc1ccccc1C1(CNC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112748024 220396848 /nfs/dbraw/zinc/39/68/48/220396848.db2.gz CINUTJHWUZLXPS-AWEZNQCLSA-N 0 0 325.416 1.932 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cccc(OCC(F)F)n1 ZINC000187640750 533126212 /nfs/dbraw/zinc/12/62/12/533126212.db2.gz FCTDFOQFKYIGDK-OAHLLOKOSA-N 0 0 328.315 1.893 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(F)ccc1Cl ZINC000113299029 220519022 /nfs/dbraw/zinc/51/90/22/220519022.db2.gz FHEVLBPAHSHMBK-SECBINFHSA-N 0 0 330.772 1.364 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000154039022 224193448 /nfs/dbraw/zinc/19/34/48/224193448.db2.gz FUYFRGRZIVNJEC-LSDHHAIUSA-N 0 0 329.404 1.763 10 0 EDAERN O=C(COc1ccc2ccccc2c1)NC[C@@H](O)CN1CCOCC1 ZINC000154120479 224206966 /nfs/dbraw/zinc/20/69/66/224206966.db2.gz SQGYIOQBEGARIT-QGZVFWFLSA-N 0 0 344.411 1.028 10 0 EDAERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)nc1 ZINC000115205217 220817443 /nfs/dbraw/zinc/81/74/43/220817443.db2.gz QTNOQLCWGRWKMZ-CZUORRHYSA-N 0 0 327.388 1.672 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@H](c4cnn(C)c4)C3)nc2n1 ZINC000116112180 220930369 /nfs/dbraw/zinc/93/03/69/220930369.db2.gz XMOULLXYMOZFFZ-ZDUSSCGKSA-N 0 0 339.403 1.033 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)NCCCc3ccccc3)C2)cn1 ZINC000116227745 220942374 /nfs/dbraw/zinc/94/23/74/220942374.db2.gz AZUNLEWCLNRQAV-INIZCTEOSA-N 0 0 340.427 1.485 10 0 EDAERN COCCCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117032602 221024805 /nfs/dbraw/zinc/02/48/05/221024805.db2.gz NQGPFZTXWQLUML-KRWDZBQOSA-N 0 0 335.448 1.474 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)Cc2ccccc2)CCN1CCOC ZINC000117371536 221058872 /nfs/dbraw/zinc/05/88/72/221058872.db2.gz OIGTXHSWXIYTPW-MRXNPFEDSA-N 0 0 326.462 1.559 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2csc(CC)n2)C[C@@H]1C ZINC000117278456 221041211 /nfs/dbraw/zinc/04/12/11/221041211.db2.gz PUPLQPSDAZTQLX-ZDUSSCGKSA-N 0 0 325.478 1.817 10 0 EDAERN COCCN1CCN(C(=O)c2cnc(-c3ncccn3)s2)C[C@H]1C ZINC000117288722 221045259 /nfs/dbraw/zinc/04/52/59/221045259.db2.gz LBDPDZMVYPJUDQ-GFCCVEGCSA-N 0 0 347.444 1.393 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000117289204 221045456 /nfs/dbraw/zinc/04/54/56/221045456.db2.gz LPUWFQTYLYEKSJ-CQSZACIVSA-N 0 0 333.432 1.828 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@H](C)Oc3cccnc3)CC2)no1 ZINC000117799140 221090659 /nfs/dbraw/zinc/09/06/59/221090659.db2.gz JNAIVPDOSCIOAY-ZDUSSCGKSA-N 0 0 345.403 1.275 10 0 EDAERN COC(=O)[C@@H](c1ccccc1)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000117880229 221096012 /nfs/dbraw/zinc/09/60/12/221096012.db2.gz FCMMQPQPHQSMIF-CZUORRHYSA-N 0 0 344.415 1.971 10 0 EDAERN CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118674947 221168273 /nfs/dbraw/zinc/16/82/73/221168273.db2.gz GMTXLTUDFWKRLQ-ZDUSSCGKSA-N 0 0 333.436 1.114 10 0 EDAERN COc1ccc(C(F)(F)C(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000119045712 221231333 /nfs/dbraw/zinc/23/13/33/221231333.db2.gz LMQTZVHLGCNSQS-LBPRGKRZSA-N 0 0 328.359 1.624 10 0 EDAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3cnccc3C)CC2)cn1 ZINC000119259944 221278586 /nfs/dbraw/zinc/27/85/86/221278586.db2.gz LVYVRSSHWOAFJJ-UHFFFAOYSA-N 0 0 341.415 1.951 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)nc1C ZINC000119339115 221297402 /nfs/dbraw/zinc/29/74/02/221297402.db2.gz JJKQNFWJZYNHGY-AWEZNQCLSA-N 0 0 325.434 1.841 10 0 EDAERN O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)[N-]OCc1ccccc1 ZINC000119426674 221318366 /nfs/dbraw/zinc/31/83/66/221318366.db2.gz FFLPCJMDIMPORD-MRXNPFEDSA-N 0 0 329.404 1.238 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119503992 221335479 /nfs/dbraw/zinc/33/54/79/221335479.db2.gz IVWXBYZKHRLIRV-UHFFFAOYSA-N 0 0 342.399 1.901 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Cl)c2cccnc12 ZINC000119539115 221342355 /nfs/dbraw/zinc/34/23/55/221342355.db2.gz MYVAVMRSJGBONN-LBPRGKRZSA-N 0 0 349.818 1.311 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000119592470 221354807 /nfs/dbraw/zinc/35/48/07/221354807.db2.gz DTHLKULVGGLJEQ-CYBMUJFWSA-N 0 0 341.415 1.780 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccccc1F)CC2 ZINC000119593645 221355845 /nfs/dbraw/zinc/35/58/45/221355845.db2.gz VYBASSLCCVVQCT-LLVKDONJSA-N 0 0 345.378 1.610 10 0 EDAERN O=C(c1cnccn1)N1CC2(C1)C[C@@H](OCc1ccccn1)CCO2 ZINC000247884001 257674962 /nfs/dbraw/zinc/67/49/62/257674962.db2.gz WHMMKWGPPZRZTF-HNNXBMFYSA-N 0 0 340.383 1.462 10 0 EDAERN COCc1noc([C@@H](C)N2CCN([C@H](C)c3nc(C)no3)CC2)n1 ZINC000181838097 533297272 /nfs/dbraw/zinc/29/72/72/533297272.db2.gz FTZYOGFWPSQUJJ-GHMZBOCLSA-N 0 0 336.396 1.347 10 0 EDAERN CS(=O)(=O)[C@@H]1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2N)C1 ZINC000165509510 533429186 /nfs/dbraw/zinc/42/91/86/533429186.db2.gz KDXZSPUOTZQFKA-GHMZBOCLSA-N 0 0 335.422 1.537 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171988966 285502854 /nfs/dbraw/zinc/50/28/54/285502854.db2.gz SFPPVRGEAVORTJ-CRAIPNDOSA-N 0 0 345.443 1.581 10 0 EDAERN Cc1cc2c(cc1C)O[C@H](C(=O)N1CC[C@@H](N3CCOCC3)C1)C2 ZINC000173764173 292005403 /nfs/dbraw/zinc/00/54/03/292005403.db2.gz NVIMMNLJDIAPSV-AEFFLSMTSA-N 0 0 330.428 1.540 10 0 EDAERN Cc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1N1CCCCC1=O ZINC000038698916 132397233 /nfs/dbraw/zinc/39/72/33/132397233.db2.gz GQTXWZUOYLEKCY-UHFFFAOYSA-N 0 0 343.383 1.599 10 0 EDAERN Fc1ccc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)cc1 ZINC000063527063 132806136 /nfs/dbraw/zinc/80/61/36/132806136.db2.gz NVSSWVGHLKUGHR-SFHVURJKSA-N 0 0 344.390 1.728 10 0 EDAERN Cc1ccc(=O)n([C@@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000071515595 132814184 /nfs/dbraw/zinc/81/41/84/132814184.db2.gz PHIDUPBKCBFZGE-LBPRGKRZSA-N 0 0 326.352 1.956 10 0 EDAERN O=C(CN1C(=O)CN(C2CCCC2)C1=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329295459 140705381 /nfs/dbraw/zinc/70/53/81/140705381.db2.gz SISYQBRNWQQBGD-HUUCEWRRSA-N 0 0 349.431 1.363 10 0 EDAERN CN1C[C@@H](NS(=O)(=O)c2cnc3ccc(F)cc3c2)CCC1=O ZINC000329297668 140705521 /nfs/dbraw/zinc/70/55/21/140705521.db2.gz UAMWHZZOLRSUFC-LBPRGKRZSA-N 0 0 337.376 1.273 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2N2C(=O)N[C@H]([C@@H]3CCCOC3)C2=O)cn1 ZINC000330059249 140798986 /nfs/dbraw/zinc/79/89/86/140798986.db2.gz KQGXUJSJKAUXKP-FAAHXZRKSA-N 0 0 348.403 1.284 10 0 EDAERN C[C@H]1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H]1O ZINC000333014078 141250125 /nfs/dbraw/zinc/25/01/25/141250125.db2.gz BTKZWGCMOHPXDF-SWLSCSKDSA-N 0 0 333.413 1.535 10 0 EDAERN CCS(=O)(=O)C1CCN(C(=O)NCCC2CCOCC2)CC1 ZINC000333039149 141253962 /nfs/dbraw/zinc/25/39/62/141253962.db2.gz ABTZALDHWLVQOJ-UHFFFAOYSA-N 0 0 332.466 1.412 10 0 EDAERN O=C(CN1CCCCCC1=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333134994 141269806 /nfs/dbraw/zinc/26/98/06/141269806.db2.gz JHANVHPJSUSRLY-CABCVRRESA-N 0 0 335.448 1.296 10 0 EDAERN Cc1nc(S(=O)(=O)N2CCC[C@H](n3cccn3)C2)sc1C ZINC000333234444 141285249 /nfs/dbraw/zinc/28/52/49/141285249.db2.gz HITOBUIBIARLKA-LBPRGKRZSA-N 0 0 326.447 1.982 10 0 EDAERN Cc1cc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)[nH]c(=O)n1 ZINC000333718267 141364755 /nfs/dbraw/zinc/36/47/55/141364755.db2.gz JIGCSKZLUOYGCE-CQSZACIVSA-N 0 0 332.404 1.402 10 0 EDAERN CCOC1(CNC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CCCC1 ZINC000333504345 286007762 /nfs/dbraw/zinc/00/77/62/286007762.db2.gz KVNYKVHHDILHGU-HZPDHXFCSA-N 0 0 339.480 1.840 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C12CCCC2 ZINC000157100037 286323979 /nfs/dbraw/zinc/32/39/79/286323979.db2.gz RJIPOIWZRKRPMI-FRRDWIJNSA-N 0 0 332.466 1.120 10 0 EDAERN C[C@@H]1CN(C(=O)CN2c3ccccc3CCCC2=O)CC[S@@](=O)C1 ZINC000330339560 296812585 /nfs/dbraw/zinc/81/25/85/296812585.db2.gz WTYDTNUMZAPHDX-JBEBIEQOSA-N 0 0 348.468 1.583 10 0 EDAERN C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000053502992 287224963 /nfs/dbraw/zinc/22/49/63/287224963.db2.gz LMEGLUKWBMAJLI-JTQLQIEISA-N 0 0 339.442 1.956 10 0 EDAERN CC1CC(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)C1 ZINC000084755980 287317570 /nfs/dbraw/zinc/31/75/70/287317570.db2.gz KKGRKJUGABGGMV-UHFFFAOYSA-N 0 0 327.388 1.579 10 0 EDAERN O=S(=O)(NCC1CC(O)C1)c1ccc(F)cc1Br ZINC000091537970 287332566 /nfs/dbraw/zinc/33/25/66/287332566.db2.gz DZSOHJGDTQFAHN-UHFFFAOYSA-N 0 0 338.198 1.637 10 0 EDAERN CCn1c([C@H]2CCC[C@@H](C(F)(F)F)C2)nnc1S(N)(=O)=O ZINC000158393389 225005814 /nfs/dbraw/zinc/00/58/14/225005814.db2.gz AFPJWIIAPJEAOR-JGVFFNPUSA-N 0 0 326.344 1.782 10 0 EDAERN NC(=O)c1cc(Cl)nnc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000158981185 225121264 /nfs/dbraw/zinc/12/12/64/225121264.db2.gz LKAZXSPENDRMQI-UHFFFAOYSA-N 0 0 334.742 1.899 10 0 EDAERN COC(=O)c1sccc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000120588334 287362256 /nfs/dbraw/zinc/36/22/56/287362256.db2.gz CAGLGWVCGYDADF-CQSZACIVSA-N 0 0 335.429 1.941 10 0 EDAERN CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000123376937 287387808 /nfs/dbraw/zinc/38/78/08/287387808.db2.gz GYRYZBSCCDBJJA-LLVKDONJSA-N 0 0 335.408 1.109 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)Cc1sccc1Br ZINC000167123932 226181416 /nfs/dbraw/zinc/18/14/16/226181416.db2.gz NBUFZSDIHRIHDY-MRVPVSSYSA-N 0 0 340.264 1.384 10 0 EDAERN C[C@@H]1C[C@H](C)CN1C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1F ZINC000165602599 226130049 /nfs/dbraw/zinc/13/00/49/226130049.db2.gz SWJHRLZATDEIOM-JGVFFNPUSA-N 0 0 334.800 1.997 10 0 EDAERN C[C@@H]1C[C@H](C)CN1C(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl ZINC000165606636 226130345 /nfs/dbraw/zinc/13/03/45/226130345.db2.gz ODMPSGDTVLHZFU-JGVFFNPUSA-N 0 0 334.800 1.997 10 0 EDAERN C[NH+](C)C(C)(C)COc1nc[n-]c(=O)c1I ZINC000165755396 226135706 /nfs/dbraw/zinc/13/57/06/226135706.db2.gz PKLHSOXQWXSLTG-UHFFFAOYSA-N 0 0 337.161 1.094 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1Cl ZINC000165938111 226142067 /nfs/dbraw/zinc/14/20/67/226142067.db2.gz HVDHKNIJSKZUBN-SSDOTTSWSA-N 0 0 338.216 1.133 10 0 EDAERN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165951361 226142670 /nfs/dbraw/zinc/14/26/70/226142670.db2.gz LIKZTVCEUMYDAY-ZCFIWIBFSA-N 0 0 338.216 1.085 10 0 EDAERN O=C(/C=C/c1cccc(Br)c1)N1CCOC[C@H]1CO ZINC000168452961 226214829 /nfs/dbraw/zinc/21/48/29/226214829.db2.gz VIFMRPVUDLMQBG-MUBLQREKSA-N 0 0 326.190 1.682 10 0 EDAERN O=C1CN(Cc2cncc(Br)c2)C(=O)[C@@H]2CCCCN12 ZINC000168454480 226215733 /nfs/dbraw/zinc/21/57/33/226215733.db2.gz YQPMHIZMRONPAF-LBPRGKRZSA-N 0 0 338.205 1.567 10 0 EDAERN O=C(COc1ccc(Br)cc1F)N1CCOC[C@H]1CO ZINC000168512102 226217145 /nfs/dbraw/zinc/21/71/45/226217145.db2.gz MTRXZXHBKUZHMQ-SNVBAGLBSA-N 0 0 348.168 1.187 10 0 EDAERN O=C(/C=C/c1ccccc1Br)N1CCOC[C@@H]1CO ZINC000168542855 226218162 /nfs/dbraw/zinc/21/81/62/226218162.db2.gz YXBKYYZUBLGJSB-FYJFLYSWSA-N 0 0 326.190 1.682 10 0 EDAERN Cn1ncnc1CC(=O)c1cccc(I)c1 ZINC000168859647 226225168 /nfs/dbraw/zinc/22/51/68/226225168.db2.gz FZSCVPINNNYGEY-UHFFFAOYSA-N 0 0 327.125 1.845 10 0 EDAERN C[C@@H]1C(=O)NCC(=O)N1Cc1ccc(Br)cc1Cl ZINC000168901445 226226572 /nfs/dbraw/zinc/22/65/72/226226572.db2.gz PGAWWLOPOPCKEE-SSDOTTSWSA-N 0 0 331.597 1.949 10 0 EDAERN C[C@H]1C(=O)N[C@H](C2CC2)C(=O)N1Cc1cncc(Br)c1 ZINC000168898360 226227082 /nfs/dbraw/zinc/22/70/82/226227082.db2.gz JPVDDLHOJMFBGW-QPUJVOFHSA-N 0 0 338.205 1.470 10 0 EDAERN C[C@@H]1CC(=O)N[C@@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168912174 226228374 /nfs/dbraw/zinc/22/83/74/226228374.db2.gz MMIPJPMVSWIIMU-BDAKNGLRSA-N 0 0 326.194 1.470 10 0 EDAERN COCCN1C[C@H](C(=O)N2CCc3c(cnn3C(C)(C)C)C2)CC1=O ZINC000170491444 226624079 /nfs/dbraw/zinc/62/40/79/226624079.db2.gz VCDDYCDYZRQUGG-CYBMUJFWSA-N 0 0 348.447 1.018 10 0 EDAERN Cc1nc(NC(=O)Cn2c(C)cc(=O)cc2C)sc1C(=O)N(C)C ZINC000170582262 226630480 /nfs/dbraw/zinc/63/04/80/226630480.db2.gz IGTVHYDNAQNAQD-UHFFFAOYSA-N 0 0 348.428 1.571 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)o1 ZINC000171345278 227030452 /nfs/dbraw/zinc/03/04/52/227030452.db2.gz GBDYKLAUXCTPIO-SECBINFHSA-N 0 0 333.319 1.642 10 0 EDAERN CCCC1(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000120471375 221586868 /nfs/dbraw/zinc/58/68/68/221586868.db2.gz YXTIFLJRWAGUQS-LBPRGKRZSA-N 0 0 349.456 1.810 10 0 EDAERN C[C@@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1nnc2n1CCCC2 ZINC000121443463 221845377 /nfs/dbraw/zinc/84/53/77/221845377.db2.gz IJYQUIBRIDOOIW-GFCCVEGCSA-N 0 0 343.435 1.988 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000122485603 222098306 /nfs/dbraw/zinc/09/83/06/222098306.db2.gz IIQZSGVVLMFXBP-AVGNSLFASA-N 0 0 337.424 1.110 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000122737440 222148170 /nfs/dbraw/zinc/14/81/70/222148170.db2.gz QWOFSCOSWKDFQR-BXUZGUMPSA-N 0 0 347.868 1.698 10 0 EDAERN Cn1c(=O)oc2c1cccc2C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000122812028 222163979 /nfs/dbraw/zinc/16/39/79/222163979.db2.gz NMPPFMIBFAQYNX-GFCCVEGCSA-N 0 0 341.371 1.275 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000123004400 222198010 /nfs/dbraw/zinc/19/80/10/222198010.db2.gz VQAMQFPVQQGEDE-KXBFYZLASA-N 0 0 344.411 1.981 10 0 EDAERN COC(=O)NCC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000123549332 222295489 /nfs/dbraw/zinc/29/54/89/222295489.db2.gz DSFPXKRMHVTMIS-VXGBXAGGSA-N 0 0 346.305 1.696 10 0 EDAERN CN(C)C(=O)N1CCC(C(=O)N2CCC(c3ccnn3C)CC2)CC1 ZINC000124230091 222396797 /nfs/dbraw/zinc/39/67/97/222396797.db2.gz ZPUYCLUCNDSIKB-UHFFFAOYSA-N 0 0 347.463 1.520 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000124444862 222429993 /nfs/dbraw/zinc/42/99/93/222429993.db2.gz AATOXBQKMRFLGQ-UHFFFAOYSA-N 0 0 342.399 1.304 10 0 EDAERN O=C(NCc1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171561222 227142270 /nfs/dbraw/zinc/14/22/70/227142270.db2.gz FQTBGTCKOYOZQP-GOSISDBHSA-N 0 0 340.427 1.642 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCC(=O)N3CCCCC3)C2)c1 ZINC000171900811 227350706 /nfs/dbraw/zinc/35/07/06/227350706.db2.gz SMOSXTMWBHZTEK-INIZCTEOSA-N 0 0 347.463 1.941 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)NCC2CCN(S(C)(=O)=O)CC2)o1 ZINC000132117805 287520779 /nfs/dbraw/zinc/52/07/79/287520779.db2.gz IYVWPILOZAHQAC-LBPRGKRZSA-N 0 0 343.449 1.620 10 0 EDAERN C[C@H](NC(=O)CCNC(=O)c1cccs1)c1nnc2n1CCCC2 ZINC000135400417 287571240 /nfs/dbraw/zinc/57/12/40/287571240.db2.gz PIDCGYOJWHGDRQ-NSHDSACASA-N 0 0 347.444 1.673 10 0 EDAERN CC(C)Oc1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000188800735 272959949 /nfs/dbraw/zinc/95/99/49/272959949.db2.gz MXYUDXGRAUALKX-UHFFFAOYSA-N 0 0 346.431 1.679 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000193168242 272989135 /nfs/dbraw/zinc/98/91/35/272989135.db2.gz VKVCUQFDVPUHHP-LBPRGKRZSA-N 0 0 336.367 1.067 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000194280734 273001830 /nfs/dbraw/zinc/00/18/30/273001830.db2.gz HDPHNWOGSMOSDS-NWDGAFQWSA-N 0 0 349.435 1.994 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccnc(F)c2F)CC1 ZINC000194317298 273002480 /nfs/dbraw/zinc/00/24/80/273002480.db2.gz QWRRVZGOHLHFAL-UHFFFAOYSA-N 0 0 349.385 1.668 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000028398451 267380232 /nfs/dbraw/zinc/38/02/32/267380232.db2.gz BJKCZRVXIRLZRJ-ZDUSSCGKSA-N 0 0 334.420 1.165 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000158717162 267489236 /nfs/dbraw/zinc/48/92/36/267489236.db2.gz NMWBFFCIUDXMEO-HNNXBMFYSA-N 0 0 340.370 1.656 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C)ccc1Cl)C(C)C ZINC000179081436 267607536 /nfs/dbraw/zinc/60/75/36/267607536.db2.gz FSXFAEKNBAEESJ-GFCCVEGCSA-N 0 0 325.796 1.474 10 0 EDAERN O=C([C@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172383360 272932600 /nfs/dbraw/zinc/93/26/00/272932600.db2.gz CTRDDEHPHIBNRS-CMPLNLGQSA-N 0 0 344.337 1.573 10 0 EDAERN COc1ccc(-c2nc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1 ZINC000033359111 277397532 /nfs/dbraw/zinc/39/75/32/277397532.db2.gz QERFJHUBLDEEJL-UHFFFAOYSA-N 0 0 326.360 1.729 10 0 EDAERN CC(C)c1nnc(CN2CCCN(CC(=O)N3CCCC3)CC2)n1C ZINC000195058211 278098438 /nfs/dbraw/zinc/09/84/38/278098438.db2.gz SFKUCKXNNVVCQY-UHFFFAOYSA-N 0 0 348.495 1.069 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000180631638 278100003 /nfs/dbraw/zinc/10/00/03/278100003.db2.gz MXWIJOQRRUEHNI-ZDUSSCGKSA-N 0 0 344.346 1.757 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000127570747 278144548 /nfs/dbraw/zinc/14/45/48/278144548.db2.gz KWPMGCZDZCGSGL-OCCSQVGLSA-N 0 0 333.363 1.379 10 0 EDAERN CC(=O)O[C@]1(C)[C@@]2(C)OC(C)(C)O[C@@]2(C)O[C@@]1(C)[C@](C)(O)CO ZINC000005291880 278222560 /nfs/dbraw/zinc/22/25/60/278222560.db2.gz JUCOWZOERKEZOP-CWVYHPPDSA-N 0 0 332.393 1.098 10 0 EDAERN CCS(=O)(=O)N[C@@H]1CN(Cc2ccsc2)C[C@@H]2CCCO[C@H]12 ZINC000096083167 280028146 /nfs/dbraw/zinc/02/81/46/280028146.db2.gz VCPKYUCOPVZNKE-ZNMIVQPWSA-N 0 0 344.502 1.667 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@@H](C)CN2CCOCC2)C[C@]12CCCO2 ZINC000333598664 280045717 /nfs/dbraw/zinc/04/57/17/280045717.db2.gz MDUHTRMXOCKUCT-SOLBZPMBSA-N 0 0 339.480 1.554 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@]12CCCO2 ZINC000333619446 280046628 /nfs/dbraw/zinc/04/66/28/280046628.db2.gz PHXMWCJCEAKJGA-VNHYZAJKSA-N 0 0 330.450 1.163 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000156128720 293339074 /nfs/dbraw/zinc/33/90/74/293339074.db2.gz FQGVFJRHXUSWAX-YNEHKIRRSA-N 0 0 334.420 1.627 10 0 EDAERN CO[C@@H]1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2C[C@H]2CCCO2)C1 ZINC000328793319 293762009 /nfs/dbraw/zinc/76/20/09/293762009.db2.gz CADBRNZJHOTENZ-GBJTYRQASA-N 0 0 336.436 1.780 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2ccoc2Br)n1 ZINC000193906802 293980801 /nfs/dbraw/zinc/98/08/01/293980801.db2.gz FPZJDQWPOFGMAS-SECBINFHSA-N 0 0 342.149 1.947 10 0 EDAERN Nc1n[nH]c2cc(Br)c(N3CCCS3(=O)=O)cc12 ZINC000022199852 295366394 /nfs/dbraw/zinc/36/63/94/295366394.db2.gz SYHKZWYOXNSSKE-UHFFFAOYSA-N 0 0 331.195 1.448 10 0 EDAERN C[C@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC[C@@H]1O ZINC000249442007 300278185 /nfs/dbraw/zinc/27/81/85/300278185.db2.gz KEYDIAYFYKFBKM-QCQGSNGOSA-N 0 0 329.462 1.414 10 0 EDAERN CC(C)[C@H](C)NC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000045038917 440941857 /nfs/dbraw/zinc/94/18/57/440941857.db2.gz KYKGPIWRQADSCL-CVEARBPZSA-N 0 0 338.496 1.759 10 0 EDAERN Cc1noc(CO[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000097942590 441146724 /nfs/dbraw/zinc/14/67/24/441146724.db2.gz NBSDQYGOMVNXCN-CYBMUJFWSA-N 0 0 337.401 1.748 10 0 EDAERN CC(C)[C@@H](C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O ZINC000020468365 441264610 /nfs/dbraw/zinc/26/46/10/441264610.db2.gz FFQPWTBSVMAPGU-HNNXBMFYSA-N 0 0 329.400 1.081 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@H](O)c3ccccc3F)CC2)n1 ZINC000105864572 441295791 /nfs/dbraw/zinc/29/57/91/441295791.db2.gz CYXOOQUNWAUARY-WBMJQRKESA-N 0 0 334.395 1.929 10 0 EDAERN COC(=O)c1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cc1 ZINC000105813626 441276900 /nfs/dbraw/zinc/27/69/00/441276900.db2.gz HWYBDJCXNMVEOL-UHFFFAOYSA-N 0 0 340.383 1.980 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816130 441276906 /nfs/dbraw/zinc/27/69/06/441276906.db2.gz LTSLBVXBWWALKG-UHFFFAOYSA-N 0 0 328.420 1.568 10 0 EDAERN O=C(c1ccnc(F)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817567 441277608 /nfs/dbraw/zinc/27/76/08/441277608.db2.gz OAFWZWNXOYJHRI-INIZCTEOSA-N 0 0 329.375 1.712 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(CC(=O)N(C)c3ccccc3)CC2)n1 ZINC000105863951 441295889 /nfs/dbraw/zinc/29/58/89/441295889.db2.gz IPFIYPPWOYQCLY-CQSZACIVSA-N 0 0 343.431 1.720 10 0 EDAERN CC(=O)c1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)n(C)c1 ZINC000105827615 441282707 /nfs/dbraw/zinc/28/27/07/441282707.db2.gz PSMKZRAHNNBQAY-UHFFFAOYSA-N 0 0 343.431 1.309 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C[C@H]1C ZINC000105832813 441286283 /nfs/dbraw/zinc/28/62/83/441286283.db2.gz GZMUYYKHJHMPNL-YYWYGQEZSA-N 0 0 339.524 1.968 10 0 EDAERN COc1ccc(CNC(=O)CN(C)[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000081566752 441290446 /nfs/dbraw/zinc/29/04/46/441290446.db2.gz AHXNVFKYHRYGSG-CYBMUJFWSA-N 0 0 336.432 1.973 10 0 EDAERN Cc1noc2nc(C)cc(C(=O)N3CCC[C@H](n4cncn4)C3)c12 ZINC000105853939 441291778 /nfs/dbraw/zinc/29/17/78/441291778.db2.gz WNZOEWPAMLYXFH-LBPRGKRZSA-N 0 0 326.360 1.908 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000105852876 441292258 /nfs/dbraw/zinc/29/22/58/441292258.db2.gz QFYSSRLEQCJNQT-KBPBESRZSA-N 0 0 335.452 1.836 10 0 EDAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(C(N)=O)cs1 ZINC000081966751 441327078 /nfs/dbraw/zinc/32/70/78/441327078.db2.gz SCHFOZTWZGODHB-CQSZACIVSA-N 0 0 348.424 1.497 10 0 EDAERN COc1ccc(NC(=O)CCN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000106189415 441328153 /nfs/dbraw/zinc/32/81/53/441328153.db2.gz NCOFMDAXUXQKSP-QGZVFWFLSA-N 0 0 344.415 1.621 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1 ZINC000106394701 441337348 /nfs/dbraw/zinc/33/73/48/441337348.db2.gz JQIRWYPCPMOLPZ-AWEZNQCLSA-N 0 0 346.406 1.540 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000106397432 441338782 /nfs/dbraw/zinc/33/87/82/441338782.db2.gz ACQXOZHAACBVPM-OAHLLOKOSA-N 0 0 346.406 1.745 10 0 EDAERN CCOc1ccnc(N2CCN([C@H](C)C(=O)N(CC)CC)CC2)n1 ZINC000105868507 441299320 /nfs/dbraw/zinc/29/93/20/441299320.db2.gz ONKGSPYLNWKYTH-CQSZACIVSA-N 0 0 335.452 1.254 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000105885972 441307150 /nfs/dbraw/zinc/30/71/50/441307150.db2.gz DJBMPXPLDZHCTK-UHFFFAOYSA-N 0 0 341.415 1.434 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3cccs3)CCO2)c1 ZINC000105891411 441308818 /nfs/dbraw/zinc/30/88/18/441308818.db2.gz QYNRYDFKFRFRFT-AWEZNQCLSA-N 0 0 334.445 1.270 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C[C@H](O)c3ccc(F)cc3F)CCO2)c1 ZINC000105892612 441309988 /nfs/dbraw/zinc/30/99/88/441309988.db2.gz DKKUGPNLZNLCAA-YOEHRIQHSA-N 0 0 337.370 1.904 10 0 EDAERN O=C(Cc1ccsc1)N1CC[C@H](n2c(=O)[nH]c3cncnc32)C1 ZINC000065256717 441410010 /nfs/dbraw/zinc/41/00/10/441410010.db2.gz TWSCHRWGSQZBLL-NSHDSACASA-N 0 0 329.385 1.197 10 0 EDAERN CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000027856895 441415824 /nfs/dbraw/zinc/41/58/24/441415824.db2.gz XYZXIEVOPMTPRI-AGIUHOORSA-N 0 0 340.445 1.815 10 0 EDAERN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Br ZINC000028878829 441438879 /nfs/dbraw/zinc/43/88/79/441438879.db2.gz XNODORHFKXGHNM-DTWKUNHWSA-N 0 0 328.210 1.944 10 0 EDAERN Cn1cc(C(=O)NC[C@@H]2CN(C)CCO2)c(-c2ccccc2Cl)n1 ZINC000108790625 441475746 /nfs/dbraw/zinc/47/57/46/441475746.db2.gz RQMLJBIPOCIBHE-GFCCVEGCSA-N 0 0 348.834 1.801 10 0 EDAERN Cc1csc([C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)n1 ZINC000108858196 441478182 /nfs/dbraw/zinc/47/81/82/441478182.db2.gz LAJKIOJTXJCVNF-GFCCVEGCSA-N 0 0 331.401 1.361 10 0 EDAERN C[C@@H](CNC(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000029957860 441479995 /nfs/dbraw/zinc/47/99/95/441479995.db2.gz KOHNBXQFGNUCCL-NSHDSACASA-N 0 0 327.222 1.900 10 0 EDAERN CN1CCO[C@@H](CNc2ccc3nnc(-c4ccccc4F)n3n2)C1 ZINC000108945504 441481722 /nfs/dbraw/zinc/48/17/22/441481722.db2.gz MGERWDHJHSQJOR-LBPRGKRZSA-N 0 0 342.378 1.673 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc2c1OCCO2 ZINC000088197613 441495487 /nfs/dbraw/zinc/49/54/87/441495487.db2.gz NHCDXYFFSQIACU-LBPRGKRZSA-N 0 0 328.372 1.877 10 0 EDAERN COC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000030693059 441501375 /nfs/dbraw/zinc/50/13/75/441501375.db2.gz KYWKOCGVGCKCBQ-CYBMUJFWSA-N 0 0 346.408 1.378 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccccc1OC ZINC000088817203 441524132 /nfs/dbraw/zinc/52/41/32/441524132.db2.gz WFNLSUBLJKKXMS-LBPRGKRZSA-N 0 0 343.387 1.439 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3ccnc(C)n3)CCO2)n1 ZINC000111835064 441542118 /nfs/dbraw/zinc/54/21/18/441542118.db2.gz UQNUVBISTDDNBC-INIZCTEOSA-N 0 0 344.419 1.209 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNc1ccccc1OC ZINC000088280852 441502721 /nfs/dbraw/zinc/50/27/21/441502721.db2.gz WZSBNDFEWHIIOD-CYBMUJFWSA-N 0 0 329.404 1.912 10 0 EDAERN C[C@H](c1nc(-c2cccnc2)no1)N1CCO[C@H](Cn2cccn2)C1 ZINC000112981361 441573988 /nfs/dbraw/zinc/57/39/88/441573988.db2.gz OHTQZTRHFSUWMP-HIFRSBDPSA-N 0 0 340.387 1.790 10 0 EDAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000089906726 441593312 /nfs/dbraw/zinc/59/33/12/441593312.db2.gz OZYLTZPZUILJOQ-NWDGAFQWSA-N 0 0 337.424 1.706 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1Cl ZINC000113299125 441599786 /nfs/dbraw/zinc/59/97/86/441599786.db2.gz ZMEFATGFBXCZAK-MRVPVSSYSA-N 0 0 347.227 1.878 10 0 EDAERN CCOC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000114202793 441641458 /nfs/dbraw/zinc/64/14/58/441641458.db2.gz PBADHPPHMPPQRV-OAHLLOKOSA-N 0 0 349.435 1.237 10 0 EDAERN CCc1nnc(CS(=O)(=O)c2ccc(Br)cn2)n1C ZINC000090989075 441646680 /nfs/dbraw/zinc/64/66/80/441646680.db2.gz RGLUUIDWXFYHCD-UHFFFAOYSA-N 0 0 345.222 1.509 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)N1CCOCC1 ZINC000041600551 441663019 /nfs/dbraw/zinc/66/30/19/441663019.db2.gz KQUDVQDWEBMKQI-LLVKDONJSA-N 0 0 325.796 1.115 10 0 EDAERN CCC1CCC(NC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000091213315 441677472 /nfs/dbraw/zinc/67/74/72/441677472.db2.gz ZHXRNDFISNEQCG-YMAMQOFZSA-N 0 0 346.493 1.800 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1CCN(C(C)C)C1=O)C(C)C ZINC000114654145 441672355 /nfs/dbraw/zinc/67/23/55/441672355.db2.gz ZCTNHZAOJJJJFN-ZFWWWQNUSA-N 0 0 325.453 1.299 10 0 EDAERN COCC[C@H](C)NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115671886 441768788 /nfs/dbraw/zinc/76/87/88/441768788.db2.gz XKZBTZXJNATPQE-ZDUSSCGKSA-N 0 0 337.468 1.289 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000115389216 441735734 /nfs/dbraw/zinc/73/57/34/441735734.db2.gz LITWPFGJXCELNU-UHFFFAOYSA-N 0 0 349.866 1.987 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3)C2)n1 ZINC000173497772 441769022 /nfs/dbraw/zinc/76/90/22/441769022.db2.gz ILXTWZSIYOZSBE-OLZOCXBDSA-N 0 0 336.461 1.961 10 0 EDAERN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091782416 441741177 /nfs/dbraw/zinc/74/11/77/441741177.db2.gz FQJFQLFYIUZPJE-GFCCVEGCSA-N 0 0 349.387 1.584 10 0 EDAERN C[C@H](CNC(=O)NCC1([C@H](O)c2ccccc2)CC1)N1CCOCC1 ZINC000121632844 441745843 /nfs/dbraw/zinc/74/58/43/441745843.db2.gz NHUQOZLQZVQFPB-NVXWUHKLSA-N 0 0 347.459 1.520 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCCC[C@@H]2O)ncn1 ZINC000173422324 441745927 /nfs/dbraw/zinc/74/59/27/441745927.db2.gz RHEOTRNGJFOVQI-MCIONIFRSA-N 0 0 348.451 1.090 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000077370060 441763904 /nfs/dbraw/zinc/76/39/04/441763904.db2.gz KBLDDXRDASLVOW-OKILXGFUSA-N 0 0 345.443 1.304 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000077366860 441764448 /nfs/dbraw/zinc/76/44/48/441764448.db2.gz HSQXTUVDQXMQTR-HUUCEWRRSA-N 0 0 333.432 1.571 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121732698 441767729 /nfs/dbraw/zinc/76/77/29/441767729.db2.gz FNNUBGJUUINJSX-JTQLQIEISA-N 0 0 338.437 1.004 10 0 EDAERN COCCN1C[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1=O ZINC000121543879 441728906 /nfs/dbraw/zinc/72/89/06/441728906.db2.gz JOCGOJOYWWPSFG-UKRRQHHQSA-N 0 0 346.427 1.900 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccn(C)n3)C2)n1 ZINC000173383780 441730323 /nfs/dbraw/zinc/73/03/23/441730323.db2.gz LJSONFYPALHORV-LLVKDONJSA-N 0 0 333.417 1.530 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1COC ZINC000077639768 441819595 /nfs/dbraw/zinc/81/95/95/441819595.db2.gz TXMIROVPSWCOEK-HNNXBMFYSA-N 0 0 340.445 1.976 10 0 EDAERN O=C(NCCCOC[C@@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 ZINC000173556277 441790445 /nfs/dbraw/zinc/79/04/45/441790445.db2.gz BIUICCUBWFOGDP-CABCVRRESA-N 0 0 337.424 1.210 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CCC(=O)c3ccccc3)CCO2)[nH]1 ZINC000173559983 441791510 /nfs/dbraw/zinc/79/15/10/441791510.db2.gz WQPQZXAZZCFVKL-OAHLLOKOSA-N 0 0 342.399 1.930 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CSCc3ccccn3)CCO2)[nH]1 ZINC000173569233 441794633 /nfs/dbraw/zinc/79/46/33/441794633.db2.gz JUPGZXUGAIJTTD-CYBMUJFWSA-N 0 0 347.444 1.595 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)COc3ccc(CC)cc3)CCO2)[nH]1 ZINC000173567370 441794643 /nfs/dbraw/zinc/79/46/43/441794643.db2.gz UIUJRGNBEGGFFH-OAHLLOKOSA-N 0 0 344.415 1.908 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)c3ccc4c(c3)CCC4)CCO2)[nH]1 ZINC000173605238 441802403 /nfs/dbraw/zinc/80/24/03/441802403.db2.gz OVDKJJZHTCLANR-OAHLLOKOSA-N 0 0 340.383 1.385 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3c(Cl)nc4ccccn43)CCO2)[nH]1 ZINC000173600966 441802690 /nfs/dbraw/zinc/80/26/90/441802690.db2.gz RYRKIXKTKQSWPN-JTQLQIEISA-N 0 0 346.778 1.628 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(N)=O)C2)cn1 ZINC000116228768 441803698 /nfs/dbraw/zinc/80/36/98/441803698.db2.gz CWWMAVZFYNGXGF-ZBFHGGJFSA-N 0 0 341.415 1.016 10 0 EDAERN CO[C@H]1CC[C@@H](COc2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC000116885271 441857981 /nfs/dbraw/zinc/85/79/81/441857981.db2.gz SJXYLAJWCICXGQ-MGCOHNPYSA-N 0 0 334.825 1.966 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000173684207 441824739 /nfs/dbraw/zinc/82/47/39/441824739.db2.gz DETNTVJCJHKKGN-MRXNPFEDSA-N 0 0 342.399 1.092 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCCc3cccnc3)CC2)no1 ZINC000173695624 441825796 /nfs/dbraw/zinc/82/57/96/441825796.db2.gz FTUFXMLQPKLEMS-UHFFFAOYSA-N 0 0 344.419 1.233 10 0 EDAERN CCOc1cccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173778200 441839322 /nfs/dbraw/zinc/83/93/22/441839322.db2.gz PSGVIYWBXDCMNA-MRXNPFEDSA-N 0 0 333.432 1.701 10 0 EDAERN CC(C)COc1ncccc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173832538 441846910 /nfs/dbraw/zinc/84/69/10/441846910.db2.gz VCOKZOMRKVXRCN-DOTOQJQBSA-N 0 0 347.459 1.909 10 0 EDAERN C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@@H]1N1CCOCC1 ZINC000173837786 441848269 /nfs/dbraw/zinc/84/82/69/441848269.db2.gz KQZKDKSRHWITQR-KXBFYZLASA-N 0 0 328.456 1.897 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000173855714 441851684 /nfs/dbraw/zinc/85/16/84/441851684.db2.gz RAHNWLUDHORREO-CYBMUJFWSA-N 0 0 327.388 1.190 10 0 EDAERN CC(C)c1noc(CCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000173861946 441853188 /nfs/dbraw/zinc/85/31/88/441853188.db2.gz NDTKIDXXYWFPQO-ZIAGYGMSSA-N 0 0 336.436 1.305 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccco2)ncn1 ZINC000174001057 441875668 /nfs/dbraw/zinc/87/56/68/441875668.db2.gz NKLOTQWJOKWKKP-LBPRGKRZSA-N 0 0 330.392 1.580 10 0 EDAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000174002060 441877509 /nfs/dbraw/zinc/87/75/09/441877509.db2.gz PJHGBFXKANWCDK-CMPLNLGQSA-N 0 0 332.404 1.496 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000118480782 441895253 /nfs/dbraw/zinc/89/52/53/441895253.db2.gz YYEPPKRGJPKQLH-KFWWJZLASA-N 0 0 327.469 1.458 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1cccc(-n2cccn2)c1 ZINC000174748397 441963959 /nfs/dbraw/zinc/96/39/59/441963959.db2.gz ISXKCGVZQOBTLG-PBHICJAKSA-N 0 0 343.431 1.563 10 0 EDAERN O=S(=O)(Cc1nc(-c2c(F)cccc2F)cs1)C[C@@H](O)CO ZINC000125201199 441995054 /nfs/dbraw/zinc/99/50/54/441995054.db2.gz LZHYWFQNMDPBBF-QMMMGPOBSA-N 0 0 349.380 1.356 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)CCOC(C)C)CC2)cn1 ZINC000175123154 442006795 /nfs/dbraw/zinc/00/67/95/442006795.db2.gz RHVOJDNNDHFQHQ-UHFFFAOYSA-N 0 0 329.466 1.837 10 0 EDAERN CC(C)[C@@H](O)CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000161778397 442031855 /nfs/dbraw/zinc/03/18/55/442031855.db2.gz SCZJJBMJFHGSHD-KRWDZBQOSA-N 0 0 347.459 1.349 10 0 EDAERN COc1ccsc1S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000120220930 442031968 /nfs/dbraw/zinc/03/19/68/442031968.db2.gz HHDAJOHOUVEFMZ-JTQLQIEISA-N 0 0 346.455 1.975 10 0 EDAERN COC(=O)c1ccccc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000161887817 442040635 /nfs/dbraw/zinc/04/06/35/442040635.db2.gz VZPRMLLKDVBQII-LBPRGKRZSA-N 0 0 329.360 1.934 10 0 EDAERN COC(=O)c1sccc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000161888313 442040994 /nfs/dbraw/zinc/04/09/94/442040994.db2.gz DAHJNJKYVADILD-JTQLQIEISA-N 0 0 335.389 1.995 10 0 EDAERN CC[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1cccc(F)c1 ZINC000175610950 442092458 /nfs/dbraw/zinc/09/24/58/442092458.db2.gz OBCMRAHBWWTSHX-GDBMZVCRSA-N 0 0 339.411 1.613 10 0 EDAERN Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)no1 ZINC000120570626 442095693 /nfs/dbraw/zinc/09/56/93/442095693.db2.gz BWYJBVZFQBXIRG-MNOVXSKESA-N 0 0 337.401 1.559 10 0 EDAERN CCc1nc(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cs1 ZINC000175517673 442079377 /nfs/dbraw/zinc/07/93/77/442079377.db2.gz VZUUQUGPPZBXAN-LLVKDONJSA-N 0 0 336.421 1.415 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000151801378 442122255 /nfs/dbraw/zinc/12/22/55/442122255.db2.gz MFAIXQCXPYMEDU-OAHLLOKOSA-N 0 0 344.419 1.788 10 0 EDAERN O=C(NCc1cccnc1-n1ccnc1)N[C@@H]1CCCC[C@H]1CO ZINC000175936943 442149750 /nfs/dbraw/zinc/14/97/50/442149750.db2.gz IUKANRKYVUVOAF-LSDHHAIUSA-N 0 0 329.404 1.618 10 0 EDAERN O=C(C1CC1)N1CCC[N@@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000121326741 442204043 /nfs/dbraw/zinc/20/40/43/442204043.db2.gz BUNHUJVCNSDJRO-SFHVURJKSA-N 0 0 332.444 1.508 10 0 EDAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127164567 442177261 /nfs/dbraw/zinc/17/72/61/442177261.db2.gz KTSNCBWELKUFQD-XJKSGUPXSA-N 0 0 340.383 1.298 10 0 EDAERN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176105504 442177386 /nfs/dbraw/zinc/17/73/86/442177386.db2.gz UYRFVTGVJOLXDF-LLVKDONJSA-N 0 0 337.742 1.660 10 0 EDAERN O=C(Nc1cc(Cl)ccc1F)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176106056 442177473 /nfs/dbraw/zinc/17/74/73/442177473.db2.gz WXZLVIAMXOUHGG-SNVBAGLBSA-N 0 0 337.742 1.660 10 0 EDAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121116776 442178220 /nfs/dbraw/zinc/17/82/20/442178220.db2.gz YNSDOUGQELEMKL-SNVBAGLBSA-N 0 0 341.205 1.679 10 0 EDAERN Cc1nncn1CCNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000152233897 442186244 /nfs/dbraw/zinc/18/62/44/442186244.db2.gz UMFNOSYNHVRKII-MRXNPFEDSA-N 0 0 343.431 1.466 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCCNC(=O)OC(C)(C)C ZINC000176284554 442205103 /nfs/dbraw/zinc/20/51/03/442205103.db2.gz YLGPVBVJGCQVSW-GFCCVEGCSA-N 0 0 337.424 1.843 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)C(=O)Nc2cnn(C)c2)no1 ZINC000127331564 442193842 /nfs/dbraw/zinc/19/38/42/442193842.db2.gz RLTBINTXICLFFD-LLVKDONJSA-N 0 0 332.364 1.229 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCC[S@](=O)C(C)(C)C ZINC000176242365 442199279 /nfs/dbraw/zinc/19/92/79/442199279.db2.gz TVZWBSSFTLLFAO-FATZIPQQSA-N 0 0 340.493 1.913 10 0 EDAERN COc1nc(N[C@@H]2CCc3ncnn3C2)ncc1Br ZINC000176250352 442200091 /nfs/dbraw/zinc/20/00/91/442200091.db2.gz KFSJAGNOVXGTMR-SSDOTTSWSA-N 0 0 325.170 1.266 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cnn4c3CCCC4)CCO2)c1 ZINC000127428937 442201255 /nfs/dbraw/zinc/20/12/55/442201255.db2.gz SQTBSKCIUFPOFO-CQSZACIVSA-N 0 0 329.404 1.266 10 0 EDAERN O=C(CCC1CCCC1)NCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126936428 442155269 /nfs/dbraw/zinc/15/52/69/442155269.db2.gz LKDCIIJKPXCNSU-INIZCTEOSA-N 0 0 347.463 1.603 10 0 EDAERN COc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000128191728 442251435 /nfs/dbraw/zinc/25/14/35/442251435.db2.gz HSGDSIPDPUYEBS-LLVKDONJSA-N 0 0 346.362 1.522 10 0 EDAERN C[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1ccc(Cl)cc1 ZINC000176435592 442221923 /nfs/dbraw/zinc/22/19/23/442221923.db2.gz ZVELIHOJSNNXOR-WFASDCNBSA-N 0 0 341.839 1.737 10 0 EDAERN CCc1ccc(N2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)cc1 ZINC000176436154 442221979 /nfs/dbraw/zinc/22/19/79/442221979.db2.gz LMDOLTWLOYXAHP-GOSISDBHSA-N 0 0 346.475 1.411 10 0 EDAERN Cn1cc([C@]2(C)CN(C(=O)c3cccc4c3OCO4)CCO2)cn1 ZINC000127855522 442229518 /nfs/dbraw/zinc/22/95/18/442229518.db2.gz RVJSOGVCGYLQFX-KRWDZBQOSA-N 0 0 329.356 1.537 10 0 EDAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000170240363 442229650 /nfs/dbraw/zinc/22/96/50/442229650.db2.gz KCTUITLNXDJESG-LBPRGKRZSA-N 0 0 329.379 1.398 10 0 EDAERN COC(=O)C[C@@H](C)S(=O)(=O)Cc1cn2cc(Cl)ccc2n1 ZINC000176707665 442248863 /nfs/dbraw/zinc/24/88/63/442248863.db2.gz YQGMPBJDOCNSKS-SECBINFHSA-N 0 0 330.793 1.854 10 0 EDAERN Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000128417670 442265267 /nfs/dbraw/zinc/26/52/67/442265267.db2.gz GMXCXTCRJMTLOJ-CQSZACIVSA-N 0 0 334.383 1.788 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000170807499 442266866 /nfs/dbraw/zinc/26/68/66/442266866.db2.gz UBCMVHBTGSBNTR-JOYOIKCWSA-N 0 0 340.221 1.887 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000170806558 442267137 /nfs/dbraw/zinc/26/71/37/442267137.db2.gz XOAVEWYUYNUIKC-SWLSCSKDSA-N 0 0 335.379 1.467 10 0 EDAERN C[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1nnc2n1CCCC2 ZINC000153310448 442274193 /nfs/dbraw/zinc/27/41/93/442274193.db2.gz RVBKEAAIPBUMKY-RISCZKNCSA-N 0 0 347.394 1.847 10 0 EDAERN CN1CCO[C@H](CNC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000170924433 442290026 /nfs/dbraw/zinc/29/00/26/442290026.db2.gz BYPNKEWHPUXHJK-CABCVRRESA-N 0 0 346.456 1.862 10 0 EDAERN COC(=O)C(C)(C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000177118454 442300141 /nfs/dbraw/zinc/30/01/41/442300141.db2.gz GRCJXYYCDZOIRA-ZBFHGGJFSA-N 0 0 346.427 1.912 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177297880 442326078 /nfs/dbraw/zinc/32/60/78/442326078.db2.gz HYYADCIGWZPCKW-CJNGLKHVSA-N 0 0 335.452 1.013 10 0 EDAERN CC(C)(C)c1ncc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000177391420 442335696 /nfs/dbraw/zinc/33/56/96/442335696.db2.gz YQTSCRKXRFQJOU-CQSZACIVSA-N 0 0 345.447 1.409 10 0 EDAERN O=C(NCC1CCS(=O)(=O)CC1)NC1C2CC3CC(C2)CC1C3 ZINC000130147516 442340245 /nfs/dbraw/zinc/34/02/45/442340245.db2.gz ZZAOYMDTNVNHHW-UHFFFAOYSA-N 0 0 340.489 1.935 10 0 EDAERN CCc1nc(CN2CCN(Cc3nnnn3C(C)C)CC2)cs1 ZINC000154459533 442340410 /nfs/dbraw/zinc/34/04/10/442340410.db2.gz QWRJEGLPADVYME-UHFFFAOYSA-N 0 0 335.481 1.591 10 0 EDAERN C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000154647932 442350128 /nfs/dbraw/zinc/35/01/28/442350128.db2.gz AIFNIZIEAXARDC-RDJZCZTQSA-N 0 0 332.448 1.976 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177629056 442364257 /nfs/dbraw/zinc/36/42/57/442364257.db2.gz HNWRFOLOIJAGOT-JTQLQIEISA-N 0 0 349.778 1.010 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1 ZINC000177635594 442364683 /nfs/dbraw/zinc/36/46/83/442364683.db2.gz CLDIDRBVENPQRL-GFCCVEGCSA-N 0 0 343.387 1.055 10 0 EDAERN CCCc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000177633591 442365178 /nfs/dbraw/zinc/36/51/78/442365178.db2.gz IMRCHJCSNMIGOW-AWEZNQCLSA-N 0 0 327.388 1.300 10 0 EDAERN CCn1cc(C2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)cn1 ZINC000171639394 442365501 /nfs/dbraw/zinc/36/55/01/442365501.db2.gz DXJBDJSUSXPZRO-GFCCVEGCSA-N 0 0 344.467 1.677 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(CC)c1)CC2 ZINC000177643679 442366223 /nfs/dbraw/zinc/36/62/23/442366223.db2.gz SRLWHRVBSXHABC-CQSZACIVSA-N 0 0 341.415 1.473 10 0 EDAERN COc1ccc(OC)c(CC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000177691631 442371112 /nfs/dbraw/zinc/37/11/12/442371112.db2.gz CYSDVCNJSKLICT-AWEZNQCLSA-N 0 0 330.388 1.798 10 0 EDAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000177761706 442381033 /nfs/dbraw/zinc/38/10/33/442381033.db2.gz SQCLWIZADMMXPR-HZPDHXFCSA-N 0 0 332.448 1.913 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC(=O)OCC2CC2)[C@@H]1c1ccccc1 ZINC000171803003 442382502 /nfs/dbraw/zinc/38/25/02/442382502.db2.gz NFZCXPRLHGZCAX-QAPCUYQASA-N 0 0 344.411 1.666 10 0 EDAERN CC(C)NC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171987260 442396785 /nfs/dbraw/zinc/39/67/85/442396785.db2.gz AKMPAHFCNUASLE-YOEHRIQHSA-N 0 0 331.416 1.237 10 0 EDAERN CCOCCC1(CNC(=O)N2CCN(CCOC)[C@H](C)C2)CC1 ZINC000132634614 442397438 /nfs/dbraw/zinc/39/74/38/442397438.db2.gz HFSCEUUIZUZPFI-OAHLLOKOSA-N 0 0 327.469 1.555 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C(C)=O)cn1C ZINC000155428940 442397720 /nfs/dbraw/zinc/39/77/20/442397720.db2.gz TYQKSVGQQALZNA-GFCCVEGCSA-N 0 0 331.376 1.231 10 0 EDAERN CSc1ncc(Cl)c(C(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000171579507 442358752 /nfs/dbraw/zinc/35/87/52/442358752.db2.gz NCEYHHYZSCTCQR-SECBINFHSA-N 0 0 338.824 1.921 10 0 EDAERN O=C(NCc1ccncc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172113081 442410369 /nfs/dbraw/zinc/41/03/69/442410369.db2.gz CGPODPUHZNACTL-SFHVURJKSA-N 0 0 340.427 1.642 10 0 EDAERN CC[C@H]1CN(C(=O)[C@H]2OCCc3ccccc32)CCN1CCOC ZINC000133380464 442415271 /nfs/dbraw/zinc/41/52/71/442415271.db2.gz KPRGXGRBIUWCNE-WMZOPIPTSA-N 0 0 332.444 1.870 10 0 EDAERN CCOCCN1CCN(C(=O)COc2ccc(F)cc2F)C[C@H]1C ZINC000172218911 442424835 /nfs/dbraw/zinc/42/48/35/442424835.db2.gz ZCDQVKTZAJDCNT-CYBMUJFWSA-N 0 0 342.386 1.913 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)N[C@H](C)CSC)CC2)cn1 ZINC000133581761 442424994 /nfs/dbraw/zinc/42/49/94/442424994.db2.gz OUWALNBPBIZDBX-CQSZACIVSA-N 0 0 339.509 1.872 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CCN1CCOC ZINC000172230382 442426567 /nfs/dbraw/zinc/42/65/67/442426567.db2.gz CREBUCLMDYVLLA-CMJOXMDJSA-N 0 0 338.473 1.607 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CCn2cnc3ccccc3c2=O)C1 ZINC000172246429 442429715 /nfs/dbraw/zinc/42/97/15/442429715.db2.gz GLAJVAKDGXFUEZ-OAHLLOKOSA-N 0 0 342.443 1.777 10 0 EDAERN O=C(NCCCc1ccccn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000178417970 442431909 /nfs/dbraw/zinc/43/19/09/442431909.db2.gz OSJIBWPKKBTGQA-MRXNPFEDSA-N 0 0 329.404 1.321 10 0 EDAERN CCc1ccc([C@@H]2COCCN2C(=O)N[C@@H](C(=O)NC)C(C)C)o1 ZINC000178419470 442431980 /nfs/dbraw/zinc/43/19/80/442431980.db2.gz MAQYTKWCWDLDMA-DZGCQCFKSA-N 0 0 337.420 1.696 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C(C)C ZINC000178452080 442435386 /nfs/dbraw/zinc/43/53/86/442435386.db2.gz ODEATQIMEHCQMK-CZUORRHYSA-N 0 0 348.447 1.344 10 0 EDAERN COC(=O)N[C@H](C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)C(C)C ZINC000133969088 442443385 /nfs/dbraw/zinc/44/33/85/442443385.db2.gz ZPXMXAGLUIQZRX-AAEUAGOBSA-N 0 0 337.424 1.213 10 0 EDAERN COCCN1CCN(C(=O)NCc2nc3ccccc3n2C)C[C@@H]1C ZINC000172322734 442443869 /nfs/dbraw/zinc/44/38/69/442443869.db2.gz OUMZAJFBZOIPQV-AWEZNQCLSA-N 0 0 345.447 1.435 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc([C@@H](C)O)cc2)C[C@@H]1C ZINC000172332756 442445625 /nfs/dbraw/zinc/44/56/25/442445625.db2.gz XGPFWSSOWOHNMS-LSDHHAIUSA-N 0 0 335.448 1.602 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(CO)c(F)c2)C[C@H]1C ZINC000172332929 442445694 /nfs/dbraw/zinc/44/56/94/442445694.db2.gz WGWVRVWOZTVNJB-CYBMUJFWSA-N 0 0 339.411 1.180 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)ccc1F ZINC000172397733 442454119 /nfs/dbraw/zinc/45/41/19/442454119.db2.gz VARUEWGRJUROLE-ZDUSSCGKSA-N 0 0 345.378 1.928 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCCC(=O)NC(C)C)CCO2)cn1 ZINC000191707348 442494598 /nfs/dbraw/zinc/49/45/98/442494598.db2.gz AGFHFNXZPHTWFU-OAHLLOKOSA-N 0 0 336.436 1.498 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3CCCc4n[nH]cc43)CCO2)cn1 ZINC000191709979 442495076 /nfs/dbraw/zinc/49/50/76/442495076.db2.gz DJUQTBCVYBFICC-BBRMVZONSA-N 0 0 329.404 1.646 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1-n1ccnc1 ZINC000156564012 442495386 /nfs/dbraw/zinc/49/53/86/442495386.db2.gz JKQFFTJQOICDTI-HNNXBMFYSA-N 0 0 327.388 1.292 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCN1CCCC1=O)CC2 ZINC000172505517 442476254 /nfs/dbraw/zinc/47/62/54/442476254.db2.gz BKXAJESGWROCTK-ZDUSSCGKSA-N 0 0 348.451 1.028 10 0 EDAERN CC[C@@H](COC)NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000172530031 442482435 /nfs/dbraw/zinc/48/24/35/442482435.db2.gz PVWMKZLFVYOLPQ-AAEUAGOBSA-N 0 0 326.418 1.629 10 0 EDAERN COc1cccc2c1OCC(C(=O)N1CC[C@H](N3CCOCC3)C1)=C2 ZINC000172752632 442533973 /nfs/dbraw/zinc/53/39/73/442533973.db2.gz PQFSRSBNZUKXRV-INIZCTEOSA-N 0 0 344.411 1.404 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC000191910776 442538674 /nfs/dbraw/zinc/53/86/74/442538674.db2.gz VXLSBQKSBAPHJX-HNNXBMFYSA-N 0 0 340.464 1.820 10 0 EDAERN Cc1nccn1CCCCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000172766382 442538672 /nfs/dbraw/zinc/53/86/72/442538672.db2.gz AMZMONRDCRVCCV-OAHLLOKOSA-N 0 0 330.436 1.835 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3cn(C)nc3-c3ccncc3)CCO2)[nH]1 ZINC000180117020 442543822 /nfs/dbraw/zinc/54/38/22/442543822.db2.gz DJMDPXUSLPMRAG-HNNXBMFYSA-N 0 0 339.403 1.482 10 0 EDAERN Brc1ccc(CN2CC[C@H](N3CCOCC3)C2)nc1 ZINC000135089872 442554447 /nfs/dbraw/zinc/55/44/47/442554447.db2.gz DFDYLRXAJOVGBP-AWEZNQCLSA-N 0 0 326.238 1.751 10 0 EDAERN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000191811773 442516038 /nfs/dbraw/zinc/51/60/38/442516038.db2.gz FJCNMXGPGSGMGZ-UWVGGRQHSA-N 0 0 326.780 1.828 10 0 EDAERN CCc1cccc(S(=O)(=O)N2CCOC[C@H]2c2nc(C)no2)c1 ZINC000186349001 442517061 /nfs/dbraw/zinc/51/70/61/442517061.db2.gz GCRWLRBOPWGOLT-AWEZNQCLSA-N 0 0 337.401 1.703 10 0 EDAERN CCN(Cc1ccccc1NC(=O)N[C@@H](C(=O)NC)C(C)C)C(C)=O ZINC000178915907 442523559 /nfs/dbraw/zinc/52/35/59/442523559.db2.gz UOHGMNOZJNRREP-MRXNPFEDSA-N 0 0 348.447 1.947 10 0 EDAERN CC[C@H](CSC)NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000179977053 442525156 /nfs/dbraw/zinc/52/51/56/442525156.db2.gz SXIUPMHEZIBQQG-OAHLLOKOSA-N 0 0 339.509 1.779 10 0 EDAERN Cc1cc2ccccc2n1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172748353 442532306 /nfs/dbraw/zinc/53/23/06/442532306.db2.gz WESWCFGPTIZOBA-KRWDZBQOSA-N 0 0 327.428 1.883 10 0 EDAERN C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000135351031 442584314 /nfs/dbraw/zinc/58/43/14/442584314.db2.gz QINYKOOLEPNWTP-GFCCVEGCSA-N 0 0 335.452 1.734 10 0 EDAERN CC(C)CN(CC(C)C)C(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186677090 442588895 /nfs/dbraw/zinc/58/88/95/442588895.db2.gz BCUQQKJADNGUQV-UHFFFAOYSA-N 0 0 341.496 1.608 10 0 EDAERN CCc1cnc(CCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)s1 ZINC000173028453 442589553 /nfs/dbraw/zinc/58/95/53/442589553.db2.gz DSRHTRXWFKWIDF-AWEZNQCLSA-N 0 0 346.456 1.644 10 0 EDAERN C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H]1N1CCOCC1 ZINC000157992801 442635097 /nfs/dbraw/zinc/63/50/97/442635097.db2.gz KXLKQPIUNGWKBG-GDBMZVCRSA-N 0 0 341.415 1.060 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCOCCC(C)C)C1 ZINC000192374438 442641941 /nfs/dbraw/zinc/64/19/41/442641941.db2.gz IPPVVXPAVHWEOV-UONOGXRCSA-N 0 0 340.424 1.912 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCc2ccc(C)nc2)C1 ZINC000192379149 442642697 /nfs/dbraw/zinc/64/26/97/442642697.db2.gz ZOBBCEGFHNGVLQ-LSDHHAIUSA-N 0 0 345.403 1.796 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000180709637 442650987 /nfs/dbraw/zinc/65/09/87/442650987.db2.gz XXGCEXCEUNVIJS-LBPRGKRZSA-N 0 0 344.423 1.566 10 0 EDAERN O=C(NC1CN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1)C1CC1 ZINC000187121003 442653962 /nfs/dbraw/zinc/65/39/62/442653962.db2.gz JFEODYCBWUEMIC-HNNXBMFYSA-N 0 0 342.443 1.575 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)[nH]c(=O)c2)ncn1 ZINC000180486086 442610317 /nfs/dbraw/zinc/61/03/17/442610317.db2.gz XNARJFNMVIGKKV-CYBMUJFWSA-N 0 0 342.403 1.326 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2nncn2C2CC2)C1 ZINC000173158424 442613385 /nfs/dbraw/zinc/61/33/85/442613385.db2.gz CRGIZNPKZUECDP-NEPJUHHUSA-N 0 0 349.435 1.923 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCCO1 ZINC000179312625 442619694 /nfs/dbraw/zinc/61/96/94/442619694.db2.gz XLNAYJWJCMDAQZ-SRCQZFHVSA-N 0 0 334.391 1.983 10 0 EDAERN Cn1nc(Br)cc1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000192236776 442620351 /nfs/dbraw/zinc/62/03/51/442620351.db2.gz AVURMIYZVBOIQR-JTQLQIEISA-N 0 0 327.226 1.493 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173190180 442621109 /nfs/dbraw/zinc/62/11/09/442621109.db2.gz YIIFBYPFDFQVCG-CYBMUJFWSA-N 0 0 335.379 1.006 10 0 EDAERN O=C1CSCC(=O)N1c1cccc(I)c1 ZINC000157894332 442625893 /nfs/dbraw/zinc/62/58/93/442625893.db2.gz VRLQHVWTZQZCQC-UHFFFAOYSA-N 0 0 333.150 1.898 10 0 EDAERN O=C(CNC(=O)c1ccccc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135733350 442629115 /nfs/dbraw/zinc/62/91/15/442629115.db2.gz MJDIORLKTWQHNI-MRXNPFEDSA-N 0 0 325.368 1.491 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3occ(C)c3c2)C1 ZINC000187578543 442681808 /nfs/dbraw/zinc/68/18/08/442681808.db2.gz RBENCNJTFQIKLS-CQSZACIVSA-N 0 0 343.383 1.807 10 0 EDAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187606771 442682454 /nfs/dbraw/zinc/68/24/54/442682454.db2.gz YXZOMROTDXWSSX-ZNMIVQPWSA-N 0 0 346.456 1.746 10 0 EDAERN C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000187938638 442699131 /nfs/dbraw/zinc/69/91/31/442699131.db2.gz DHGUBOXGCMNSIZ-YNEHKIRRSA-N 0 0 329.416 1.544 10 0 EDAERN Cc1noc2ncnc(N(C)[C@@H]3CCCN(c4cccnn4)C3)c12 ZINC000193394184 442738866 /nfs/dbraw/zinc/73/88/66/442738866.db2.gz KMSWHVWBQKVHKG-GFCCVEGCSA-N 0 0 325.376 1.821 10 0 EDAERN CC[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1cccc(Cl)c1 ZINC000188342763 442741485 /nfs/dbraw/zinc/74/14/85/442741485.db2.gz DUZHJWCWTJLGOC-AWEZNQCLSA-N 0 0 339.823 1.948 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCC[C@H]3CCCCO3)CC2)cn1 ZINC000182188078 442743466 /nfs/dbraw/zinc/74/34/66/442743466.db2.gz HUMDHYGULICCGD-QGZVFWFLSA-N 0 0 349.479 1.597 10 0 EDAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000193464433 442745460 /nfs/dbraw/zinc/74/54/60/442745460.db2.gz LCPIGYVJVPYAHB-SNVBAGLBSA-N 0 0 336.348 1.216 10 0 EDAERN CN(CC(F)(F)F)C(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188070750 442708012 /nfs/dbraw/zinc/70/80/12/442708012.db2.gz RUBHPJKIQSUAIE-RYUDHWBXSA-N 0 0 336.379 1.777 10 0 EDAERN CCCCCc1nnc(NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)s1 ZINC000188714491 442796009 /nfs/dbraw/zinc/79/60/09/442796009.db2.gz DWINEZWNRAMMAQ-GHMZBOCLSA-N 0 0 326.422 1.191 10 0 EDAERN C[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000193850408 442798913 /nfs/dbraw/zinc/79/89/13/442798913.db2.gz FEOAQGWPGPSUEF-BDAKNGLRSA-N 0 0 336.816 1.936 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)[C@H](C)n1cncn1)c1ccc(Cl)cc1 ZINC000193863672 442801246 /nfs/dbraw/zinc/80/12/46/442801246.db2.gz AMUJHWNCTRRNRR-GWCFXTLKSA-N 0 0 336.779 1.913 10 0 EDAERN COc1ccc(F)c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1OC ZINC000188509543 442758194 /nfs/dbraw/zinc/75/81/94/442758194.db2.gz BIJQZVKFQMIIDC-LBPRGKRZSA-N 0 0 338.379 1.390 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1)C1CCC1 ZINC000188531927 442760764 /nfs/dbraw/zinc/76/07/64/442760764.db2.gz FVIMCGIRUZWMSI-UHFFFAOYSA-N 0 0 342.374 1.957 10 0 EDAERN O=C(COCCOc1ccccc1)N1CC(NC(=O)C2CCC2)C1 ZINC000188542107 442761579 /nfs/dbraw/zinc/76/15/79/442761579.db2.gz OCGNJCHNKMZATB-UHFFFAOYSA-N 0 0 332.400 1.209 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)N(CCC(C)C)CCC(C)C)C1 ZINC000188546120 442762073 /nfs/dbraw/zinc/76/20/73/442762073.db2.gz LUNIQPSGQNPWEF-UHFFFAOYSA-N 0 0 333.498 1.446 10 0 EDAERN C[C@@H](CN1CCCC1=O)NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000193644177 442763022 /nfs/dbraw/zinc/76/30/22/442763022.db2.gz CEVAUNZFXLGAFW-STQMWFEESA-N 0 0 332.404 1.324 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)C1)CC2 ZINC000182437653 442766904 /nfs/dbraw/zinc/76/69/04/442766904.db2.gz BHUFFHQWGPDNIX-GFCCVEGCSA-N 0 0 349.435 1.138 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1nc(Br)cs1 ZINC000188866056 442830517 /nfs/dbraw/zinc/83/05/17/442830517.db2.gz REYRUUKQHVBSHU-LURJTMIESA-N 0 0 328.195 1.242 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)ncc1Br ZINC000193924272 442812889 /nfs/dbraw/zinc/81/28/89/442812889.db2.gz GMOZDFJCLDXIQH-SECBINFHSA-N 0 0 342.193 1.074 10 0 EDAERN COc1ccc(COC[C@@H](O)CN2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182748254 442818292 /nfs/dbraw/zinc/81/82/92/442818292.db2.gz BFTUKJUXVMDOFX-DOTOQJQBSA-N 0 0 346.431 1.918 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000188837523 442824528 /nfs/dbraw/zinc/82/45/28/442824528.db2.gz LMJFLOUUFHKBGA-LLVKDONJSA-N 0 0 331.347 1.760 10 0 EDAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 ZINC000188841660 442825220 /nfs/dbraw/zinc/82/52/20/442825220.db2.gz ILSRNPQYBQEJRU-HNNXBMFYSA-N 0 0 340.427 1.899 10 0 EDAERN Cc1cc(C)c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000246990808 442826432 /nfs/dbraw/zinc/82/64/32/442826432.db2.gz KEFPIHHOBJJZJW-HOTGVXAUSA-N 0 0 347.459 1.464 10 0 EDAERN CS[C@H]1CCC[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188857927 442828610 /nfs/dbraw/zinc/82/86/10/442828610.db2.gz UKMHPQILMLATFP-OCCSQVGLSA-N 0 0 325.478 1.971 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)C1)C1CCC1 ZINC000188900570 442838584 /nfs/dbraw/zinc/83/85/84/442838584.db2.gz FHCAAYFBLAOCHV-CQSZACIVSA-N 0 0 335.448 1.788 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)C[C@H]1C ZINC000247186292 442839766 /nfs/dbraw/zinc/83/97/66/442839766.db2.gz SBSRPIWEDMDZFB-RVKKMQEKSA-N 0 0 348.443 1.784 10 0 EDAERN CCN(C(=O)[C@H]1C[C@@H](O)CN1C(C)=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000188966972 442851113 /nfs/dbraw/zinc/85/11/13/442851113.db2.gz QMWYDLCIHHLOOL-MZMPZRCHSA-N 0 0 348.443 1.456 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)N[C@H]3CCOc4ccccc43)C2)cn1 ZINC000247539674 442860967 /nfs/dbraw/zinc/86/09/67/442860967.db2.gz QQLXNLWXNOLRKE-YOEHRIQHSA-N 0 0 340.427 1.849 10 0 EDAERN O[C@@H](CN1CCN(C[C@@H](O)c2ccccc2)CC1)CC(F)(F)F ZINC000189157191 442888304 /nfs/dbraw/zinc/88/83/04/442888304.db2.gz ATWYNJSXEJBVQI-HUUCEWRRSA-N 0 0 332.366 1.651 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(OCC(F)F)ccn2)C1)C1CC1 ZINC000189421710 442948955 /nfs/dbraw/zinc/94/89/55/442948955.db2.gz OVQOIBFKKWCUOX-UHFFFAOYSA-N 0 0 325.315 1.076 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194599625 442919631 /nfs/dbraw/zinc/91/96/31/442919631.db2.gz VHFBNDRQPREWTD-KRWDZBQOSA-N 0 0 334.416 1.034 10 0 EDAERN O=C(c1ccccc1N1CCOCC1)N1CCN2CCCC[C@H]2C1 ZINC000194602810 442920268 /nfs/dbraw/zinc/92/02/68/442920268.db2.gz PMGAIVNZLGCBLP-INIZCTEOSA-N 0 0 329.444 1.834 10 0 EDAERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000194627147 442926833 /nfs/dbraw/zinc/92/68/33/442926833.db2.gz MPRAZNCBUSVMAQ-FUHWJXTLSA-N 0 0 343.427 1.397 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2cccc(OC)c2)CC1 ZINC000184808714 318538503 /nfs/dbraw/zinc/53/85/03/318538503.db2.gz CWKITVCFCRCSGE-INIZCTEOSA-N 0 0 335.448 1.336 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000184846317 318539413 /nfs/dbraw/zinc/53/94/13/318539413.db2.gz IUOOOEMZSINSTK-KBPBESRZSA-N 0 0 325.478 1.777 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000248984166 442943081 /nfs/dbraw/zinc/94/30/81/442943081.db2.gz JMWYEXKUNYHSRO-OLZOCXBDSA-N 0 0 339.386 1.794 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194725501 442943824 /nfs/dbraw/zinc/94/38/24/442943824.db2.gz VNBRYYWSYLFJJM-MRXNPFEDSA-N 0 0 328.416 1.550 10 0 EDAERN Cc1nc(-c2c[nH]c(C(=O)N3CC(NC(=O)C4CC4)C3)c2)cs1 ZINC000189417339 442946232 /nfs/dbraw/zinc/94/62/32/442946232.db2.gz YPAMNEKRNZNOAY-UHFFFAOYSA-N 0 0 330.413 1.797 10 0 EDAERN COC[C@@H]1CN(Cc2cnc(N3CCOCC3)s2)C[C@H](C)O1 ZINC000249127333 442954105 /nfs/dbraw/zinc/95/41/05/442954105.db2.gz CMGHRTCLYZMDAX-STQMWFEESA-N 0 0 327.450 1.215 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000183746423 442959517 /nfs/dbraw/zinc/95/95/17/442959517.db2.gz RRCQSCHQUXRDCR-LLVKDONJSA-N 0 0 345.327 1.418 10 0 EDAERN O=C(COc1ccc(F)cc1Cl)N1CC(NC(=O)C2CC2)C1 ZINC000189472999 442962364 /nfs/dbraw/zinc/96/23/64/442962364.db2.gz OOHAJZUQUBZWAJ-UHFFFAOYSA-N 0 0 326.755 1.595 10 0 EDAERN O=C(CNC(=O)N(CCO)[C@H]1CCc2ccccc21)NCC1CC1 ZINC000183778373 442964097 /nfs/dbraw/zinc/96/40/97/442964097.db2.gz FEUKHQIWRRLAKE-INIZCTEOSA-N 0 0 331.416 1.204 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)C[C@H]1C ZINC000249552140 442985759 /nfs/dbraw/zinc/98/57/59/442985759.db2.gz IJJKBUCEVNOVNQ-CABCVRRESA-N 0 0 341.496 1.497 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)CCc2cccs2)C[C@@H]1C ZINC000189630320 442986504 /nfs/dbraw/zinc/98/65/04/442986504.db2.gz PYYNRKRZIWJCBE-AWEZNQCLSA-N 0 0 346.518 1.663 10 0 EDAERN O=C(CN1CCCC[C@H]1c1nnc2n1CCCC2)NC[C@@H]1CCCO1 ZINC000195513623 443027401 /nfs/dbraw/zinc/02/74/01/443027401.db2.gz IYPMZRREDULNHC-GJZGRUSLSA-N 0 0 347.463 1.437 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)cc1 ZINC000198541520 443042727 /nfs/dbraw/zinc/04/27/27/443042727.db2.gz ZFTBRDONTCDXFM-CYBMUJFWSA-N 0 0 329.400 1.943 10 0 EDAERN CCc1ccc(CNC(=O)N2CCN(C[C@@H](O)CC)CC2)s1 ZINC000184858493 443087909 /nfs/dbraw/zinc/08/79/09/443087909.db2.gz FZDMUIZTOCOGOO-ZDUSSCGKSA-N 0 0 325.478 1.909 10 0 EDAERN COc1ccccc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000224267060 443097586 /nfs/dbraw/zinc/09/75/86/443097586.db2.gz SKVBJBNAFATWAA-UHFFFAOYSA-N 0 0 342.403 1.881 10 0 EDAERN CN1CCN(c2ncc(NC(=O)Cc3ccc(F)cc3)cn2)CC1 ZINC000224254887 443097851 /nfs/dbraw/zinc/09/78/51/443097851.db2.gz JJVSLSXNLQQJEL-UHFFFAOYSA-N 0 0 329.379 1.549 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCC1CCCC1 ZINC000184639347 443053500 /nfs/dbraw/zinc/05/35/00/443053500.db2.gz OVPSMPVUTKSHJW-GFCCVEGCSA-N 0 0 349.456 1.810 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCOc2ccc(C)cc2)CC1 ZINC000184699043 443061847 /nfs/dbraw/zinc/06/18/47/443061847.db2.gz LQQHGEJUCRPGPK-MRXNPFEDSA-N 0 0 335.448 1.472 10 0 EDAERN Cc1cc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H]3CO)c2C)no1 ZINC000184725805 443067434 /nfs/dbraw/zinc/06/74/34/443067434.db2.gz SKGYROXQKAKWJC-KGLIPLIRSA-N 0 0 333.388 1.001 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000190259862 443077456 /nfs/dbraw/zinc/07/74/56/443077456.db2.gz XPZPEWQGVLZDIW-HIFRSBDPSA-N 0 0 325.430 1.782 10 0 EDAERN CC(=O)NCc1cc(Br)ccc1S(=O)(=O)N(C)C ZINC000222389490 443077732 /nfs/dbraw/zinc/07/77/32/443077732.db2.gz JGULKIMLYAMAHZ-UHFFFAOYSA-N 0 0 335.223 1.336 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000190257367 443077928 /nfs/dbraw/zinc/07/79/28/443077928.db2.gz VKHDCFZMIUVMHG-UHFFFAOYSA-N 0 0 327.331 1.360 10 0 EDAERN COCC(=O)NC1CN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000185087503 443133734 /nfs/dbraw/zinc/13/37/34/443133734.db2.gz LELRNAOKXSQVQV-ZDUSSCGKSA-N 0 0 332.322 1.186 10 0 EDAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2c(C)noc2C)C12CCOCC2 ZINC000185150049 443148215 /nfs/dbraw/zinc/14/82/15/443148215.db2.gz VODLVBHMVWKVGK-OLZOCXBDSA-N 0 0 344.433 1.544 10 0 EDAERN Cn1cc(/C=C\C(=O)N2CCC[C@H]2c2ccco2)c(=O)n(C)c1=O ZINC000255542933 443101857 /nfs/dbraw/zinc/10/18/57/443101857.db2.gz LFMOENFLNCQPAI-WSROAFLRSA-N 0 0 329.356 1.054 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2cc(Br)ccc2F)C1 ZINC000190457888 443112674 /nfs/dbraw/zinc/11/26/74/443112674.db2.gz VEUCAFUJGWWILP-UHFFFAOYSA-N 0 0 329.169 1.478 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000190472846 443115293 /nfs/dbraw/zinc/11/52/93/443115293.db2.gz GSUZSCFTITVEBG-MRXNPFEDSA-N 0 0 330.432 1.988 10 0 EDAERN COCCC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000185007834 443116823 /nfs/dbraw/zinc/11/68/23/443116823.db2.gz MWHZEEHPVMBPKW-ZDUSSCGKSA-N 0 0 336.436 1.403 10 0 EDAERN COCCOCC(=O)N1CCCCCNC(=O)[C@@H]2CCCC[C@@H]21 ZINC000257179188 443117907 /nfs/dbraw/zinc/11/79/07/443117907.db2.gz CKSSKFFNCAMMSH-CABCVRRESA-N 0 0 326.437 1.337 10 0 EDAERN COCCn1ccc(C(=O)N[C@@H](CC(=O)OC)c2ccccc2)n1 ZINC000190511559 443123949 /nfs/dbraw/zinc/12/39/49/443123949.db2.gz FUSUOWQMZGWEFF-HNNXBMFYSA-N 0 0 331.372 1.564 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(=O)[O-] ZINC000185056668 443127497 /nfs/dbraw/zinc/12/74/97/443127497.db2.gz JBHDIPZBFZGEFS-ZBFHGGJFSA-N 0 0 333.432 1.472 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000185288733 443176895 /nfs/dbraw/zinc/17/68/95/443176895.db2.gz IAMAUTZCXJYDKD-UHFFFAOYSA-N 0 0 342.342 1.097 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)N(C)Cc3ccccc3)CCO2)cn1 ZINC000190774549 443181343 /nfs/dbraw/zinc/18/13/43/443181343.db2.gz KKGGOQBMGYYCSA-SFHVURJKSA-N 0 0 342.443 1.935 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CCO2)cn1 ZINC000190786607 443183494 /nfs/dbraw/zinc/18/34/94/443183494.db2.gz PYOHJQPUTCNVLC-UXLLHSPISA-N 0 0 334.464 1.781 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000190643277 443155772 /nfs/dbraw/zinc/15/57/72/443155772.db2.gz AOWWKZWMUSZOJF-BZNIZROVSA-N 0 0 337.445 1.798 10 0 EDAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000190681745 443162871 /nfs/dbraw/zinc/16/28/71/443162871.db2.gz UUHOVCYUDWRPAF-RYUDHWBXSA-N 0 0 326.466 1.702 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c2ccccc12 ZINC000190984888 443219669 /nfs/dbraw/zinc/21/96/69/443219669.db2.gz AHQDLIYNOMPGIB-GFCCVEGCSA-N 0 0 348.424 1.748 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000190989505 443220310 /nfs/dbraw/zinc/22/03/10/443220310.db2.gz WEWKWYIARVDGEH-MRVPVSSYSA-N 0 0 337.228 1.893 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N2CCN(C3CC3)CC2)C12CCOCC2 ZINC000185664474 443235328 /nfs/dbraw/zinc/23/53/28/443235328.db2.gz FZYAGSJSJIQNAZ-HOTGVXAUSA-N 0 0 337.464 1.450 10 0 EDAERN O=C(C(=O)N1CCC(c2cc[nH]n2)CC1)N1CCc2c1cccc2F ZINC000185676233 443237097 /nfs/dbraw/zinc/23/70/97/443237097.db2.gz DVEFFBKPWZJODK-UHFFFAOYSA-N 0 0 342.374 1.844 10 0 EDAERN COCC(=O)NC1CN(C(=O)NC[C@@]2(C)CCCc3ccccc32)C1 ZINC000185766926 443253375 /nfs/dbraw/zinc/25/33/75/443253375.db2.gz BKSSQYCYRNFYHC-LJQANCHMSA-N 0 0 345.443 1.437 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCc2ccccc2OC(F)F)C1 ZINC000191365740 443285413 /nfs/dbraw/zinc/28/54/13/443285413.db2.gz OSLVWIGSMISRGZ-ZDUSSCGKSA-N 0 0 343.374 1.460 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(=O)n(C)c2)C12CCOCC2 ZINC000185932385 443286611 /nfs/dbraw/zinc/28/66/11/443286611.db2.gz OLUZEUBCPGGRMM-UONOGXRCSA-N 0 0 335.404 1.481 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)Nc2ccc(=O)n(C)c2)C12CCOCC2 ZINC000185932402 443286751 /nfs/dbraw/zinc/28/67/51/443286751.db2.gz OLUZEUBCPGGRMM-KBPBESRZSA-N 0 0 335.404 1.481 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000191258002 443268138 /nfs/dbraw/zinc/26/81/38/443268138.db2.gz FESPUVNPABMYRX-HNNXBMFYSA-N 0 0 345.443 1.655 10 0 EDAERN CC(C)(C)c1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)[nH]n1 ZINC000299742653 444130229 /nfs/dbraw/zinc/13/02/29/444130229.db2.gz ICAZBHYSODPKFI-HTQZYQBOSA-N 0 0 332.326 1.443 10 0 EDAERN NC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)c1 ZINC000328635669 444406458 /nfs/dbraw/zinc/40/64/58/444406458.db2.gz NODPKNMEKOFHRV-GFCCVEGCSA-N 0 0 342.403 1.982 10 0 EDAERN Cc1ccc(OCCC(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c(C)c1 ZINC000583617683 448445549 /nfs/dbraw/zinc/44/55/49/448445549.db2.gz DZYUUSPMPDMWQV-GOSISDBHSA-N 0 0 344.415 1.701 10 0 EDAERN O=C(CN1CCC[C@](O)(c2cn[nH]n2)C1)N1CCCc2ccccc21 ZINC000583618022 448446132 /nfs/dbraw/zinc/44/61/32/448446132.db2.gz VCWSADRYWOTPLL-GOSISDBHSA-N 0 0 341.415 1.068 10 0 EDAERN CCN1CCN(C(=O)NCC[C@H]2CCCO2)C[C@@H]1c1nccn1C ZINC000583623976 448454423 /nfs/dbraw/zinc/45/44/23/448454423.db2.gz YHZZFRKRUKPNKJ-HUUCEWRRSA-N 0 0 335.452 1.377 10 0 EDAERN Cc1ccncc1S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC000566903789 448581846 /nfs/dbraw/zinc/58/18/46/448581846.db2.gz LUAPYAAXMYXCCN-PBHICJAKSA-N 0 0 345.424 1.688 10 0 EDAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC000619293818 450448605 /nfs/dbraw/zinc/44/86/05/450448605.db2.gz SHDMTLXLKSMXQI-SUMWQHHRSA-N 0 0 339.399 1.966 10 0 EDAERN NS(=O)(=O)N1CC[C@H](c2ccccc2CCO)c2ccccc21 ZINC000616587164 450453844 /nfs/dbraw/zinc/45/38/44/450453844.db2.gz DZPPMOWCEWWYKB-OAHLLOKOSA-N 0 0 332.425 1.767 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2ccccc2CO)C1 ZINC000616604270 450455629 /nfs/dbraw/zinc/45/56/29/450455629.db2.gz SRZKJLMXOGSUBK-QGZVFWFLSA-N 0 0 333.409 1.941 10 0 EDAERN Nc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)cn1 ZINC000616659412 450458450 /nfs/dbraw/zinc/45/84/50/450458450.db2.gz MRHRIYCSXLQIMY-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2ccc(N)nc2)C1 ZINC000616663734 450458684 /nfs/dbraw/zinc/45/86/84/450458684.db2.gz PUYOOZPPGXTDNT-CQSZACIVSA-N 0 0 336.436 1.604 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2ccc3nnccc3c2)Cc2ccccc21 ZINC000616674582 450459565 /nfs/dbraw/zinc/45/95/65/450459565.db2.gz ISPFSXXWKMLOQQ-HNNXBMFYSA-N 0 0 340.408 1.980 10 0 EDAERN COC(=O)[C@H]1CN(CCNC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000616686051 450460004 /nfs/dbraw/zinc/46/00/04/450460004.db2.gz VYNBTYVVLBWQCS-CYBMUJFWSA-N 0 0 335.404 1.985 10 0 EDAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2cnc[nH]2)CCC(=O)N1C1CC1 ZINC000621001314 450571331 /nfs/dbraw/zinc/57/13/31/450571331.db2.gz JVMGQDJYFORNOI-ABAIWWIYSA-N 0 0 342.403 1.015 10 0 EDAERN O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)C[NH2+]1 ZINC000630697364 451346506 /nfs/dbraw/zinc/34/65/06/451346506.db2.gz MMGJECIOJQFSGR-HOCLYGCPSA-N 0 0 342.399 1.391 10 0 EDAERN COc1ccc(Br)cc1C(=O)N[C@@H]1CCOC[C@@H]1O ZINC000629238827 451612673 /nfs/dbraw/zinc/61/26/73/451612673.db2.gz VZBIJGKWPPCGCC-MNOVXSKESA-N 0 0 330.178 1.337 10 0 EDAERN CN(C)c1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCOC2(C)C)nn1 ZINC000644507383 451825958 /nfs/dbraw/zinc/82/59/58/451825958.db2.gz YFRMSLMPJUFPQT-ZIAGYGMSSA-N 0 0 333.436 1.957 10 0 EDAERN CNC(=O)[C@@]1(COC)CCCN1Cc1cn(-c2ccccc2)nc1C ZINC000643765325 452608229 /nfs/dbraw/zinc/60/82/29/452608229.db2.gz RSYHIQFVTOIRRJ-IBGZPJMESA-N 0 0 342.443 1.908 10 0 EDAERN CNC(=O)[C@]1(COC)CCCN1C(=O)CCOc1c(C)cccc1C ZINC000643952098 452861358 /nfs/dbraw/zinc/86/13/58/452861358.db2.gz QWVLVOKECWHUHA-LJQANCHMSA-N 0 0 348.443 1.826 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(Br)c(C)n1 ZINC000664271746 452953357 /nfs/dbraw/zinc/95/33/57/452953357.db2.gz WQHXBLCLKSMTDK-ZJUUUORDSA-N 0 0 335.223 1.376 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC=C(c2ccncc2)C1 ZINC000644478324 453504354 /nfs/dbraw/zinc/50/43/54/453504354.db2.gz JAAIOUUAMKZTJW-MRXNPFEDSA-N 0 0 329.400 1.071 10 0 EDAERN C[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)[C@H]1CCCO1 ZINC000075653224 486890189 /nfs/dbraw/zinc/89/01/89/486890189.db2.gz YMNGORLACQYVMX-WDEREUQCSA-N 0 0 332.447 1.100 10 0 EDAERN C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1)N1C(=O)c2ccccc2C1=O ZINC000684232079 486998388 /nfs/dbraw/zinc/99/83/88/486998388.db2.gz QVXGUJAPAHNDLE-BFQNTYOBSA-N 0 0 342.395 1.697 10 0 EDAERN CCOC(=O)Cc1nc(N2CCOCC2)cc(=O)n1-c1ccccc1 ZINC000216045587 485490513 /nfs/dbraw/zinc/49/05/13/485490513.db2.gz DQYLNZUXEKNZNB-UHFFFAOYSA-N 0 0 343.383 1.175 10 0 EDAERN Cc1ccc(-c2cnc(CN3CC[C@@](O)(Cn4ccnn4)C3)o2)cc1 ZINC000671551764 486649722 /nfs/dbraw/zinc/64/97/22/486649722.db2.gz NEXICSBZUQGCPN-SFHVURJKSA-N 0 0 339.399 1.879 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000135197876 491227889 /nfs/dbraw/zinc/22/78/89/491227889.db2.gz LQIKLZVGTAJDQN-OAHLLOKOSA-N 0 0 333.436 1.282 10 0 EDAERN Cc1nn(C)c(=O)c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1C ZINC000583621323 501008288 /nfs/dbraw/zinc/00/82/88/501008288.db2.gz PKBBCWWWUMMNPU-HUUCEWRRSA-N 0 0 345.374 1.484 10 0 EDAERN C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1cccs1 ZINC000179493530 533960551 /nfs/dbraw/zinc/96/05/51/533960551.db2.gz OYUDPSSKLMTJDC-NSHDSACASA-N 0 0 332.447 1.482 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000170805940 534106287 /nfs/dbraw/zinc/10/62/87/534106287.db2.gz ORIDOOHLPAYAGJ-ZFWWWQNUSA-N 0 0 337.445 1.501 10 0 EDAERN C[C@H](C[S@](C)=O)NS(=O)(=O)CCSc1ccc(N)cc1 ZINC000168685339 534140223 /nfs/dbraw/zinc/14/02/23/534140223.db2.gz WRGGFRGMHQQXBK-GIGQVBGESA-N 0 0 336.504 1.047 10 0 EDAERN Cc1ccc(-c2c(Cl)[nH]c(=O)n(CC[S@@](C)=O)c2=O)cc1 ZINC000159677287 534161406 /nfs/dbraw/zinc/16/14/06/534161406.db2.gz ZEYROMUONYNSGM-NRFANRHFSA-N 0 0 326.805 1.544 10 0 EDAERN COC(=O)[C@@H](C)CS(=O)(=O)Cc1cncc(Br)c1 ZINC000166960090 534216746 /nfs/dbraw/zinc/21/67/46/534216746.db2.gz VOCJQLROPFBGKT-QMMMGPOBSA-N 0 0 336.207 1.568 10 0 EDAERN COC(=O)c1coc(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c1 ZINC000183594498 534313420 /nfs/dbraw/zinc/31/34/20/534313420.db2.gz JIQFNFIOMOIQLT-AWEZNQCLSA-N 0 0 347.371 1.421 10 0 EDAERN Cc1ccnc(-n2nccc2NC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000189852374 534380257 /nfs/dbraw/zinc/38/02/57/534380257.db2.gz FEKGOGGPGHNZFP-GFCCVEGCSA-N 0 0 338.375 1.824 10 0 EDAERN Cc1cccc(C(C)C)c1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187987308 534637857 /nfs/dbraw/zinc/63/78/57/534637857.db2.gz KYHJGIBWHPBPHZ-UHFFFAOYSA-N 0 0 343.427 1.794 10 0 EDAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187720840 534721144 /nfs/dbraw/zinc/72/11/44/534721144.db2.gz LDJKREFOIOWKFY-STQMWFEESA-N 0 0 343.408 1.766 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)NC[C@H]3CCCOC3)CC2)s1 ZINC000171903522 534735814 /nfs/dbraw/zinc/73/58/14/534735814.db2.gz ADWLOGUOTIQASE-CQSZACIVSA-N 0 0 338.477 1.705 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000158695588 534743103 /nfs/dbraw/zinc/74/31/03/534743103.db2.gz ZXDXAODZLFZSRC-OAHLLOKOSA-N 0 0 346.435 1.080 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000190252102 526711437 /nfs/dbraw/zinc/71/14/37/526711437.db2.gz FNWIXDSIQDJRHW-SNVBAGLBSA-N 0 0 329.360 1.328 10 0 EDAERN CC(C)(C)c1nc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)cs1 ZINC000133754214 526859341 /nfs/dbraw/zinc/85/93/41/526859341.db2.gz MNEYRFZSCXFKOR-LLVKDONJSA-N 0 0 348.476 1.889 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174325442 526932244 /nfs/dbraw/zinc/93/22/44/526932244.db2.gz XPIKOTZBQLIQLR-HUUCEWRRSA-N 0 0 345.443 1.016 10 0 EDAERN CC(C)([C@@H](O)Cc1ccc(Br)cn1)N1CCOCC1 ZINC000167330355 527376876 /nfs/dbraw/zinc/37/68/76/527376876.db2.gz VGPMDYOGQKYDBM-ZDUSSCGKSA-N 0 0 329.238 1.858 10 0 EDAERN CCN1CCO[C@H](CNc2nc(NC)ncc2Br)C1 ZINC000166349278 527739347 /nfs/dbraw/zinc/73/93/47/527739347.db2.gz PVWFAZYFGUTYLE-SECBINFHSA-N 0 0 330.230 1.413 10 0 EDAERN CC(C)OCCCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000151884026 527942055 /nfs/dbraw/zinc/94/20/55/527942055.db2.gz YBCOUCQMEAJUEQ-OAHLLOKOSA-N 0 0 335.452 1.902 10 0 EDAERN CC1(O)CCN(S(=O)(=O)c2cc(N)ccc2Br)CC1 ZINC000168474342 528045221 /nfs/dbraw/zinc/04/52/21/528045221.db2.gz VQHXOBRPWRTYAH-UHFFFAOYSA-N 0 0 349.250 1.567 10 0 EDAERN CC(C)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174008383 528175228 /nfs/dbraw/zinc/17/52/28/528175228.db2.gz HVDJUNQPYUXKHB-QGZVFWFLSA-N 0 0 345.443 1.682 10 0 EDAERN CC(C)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000186851683 528420753 /nfs/dbraw/zinc/42/07/53/528420753.db2.gz IYPIXZJFLQESOE-LLVKDONJSA-N 0 0 334.463 1.260 10 0 EDAERN CCNc1ncc(C(=O)NC[C@H]2CCCS2(=O)=O)cc1Cl ZINC000155480195 528446415 /nfs/dbraw/zinc/44/64/15/528446415.db2.gz OOBJJRMMZUPEOX-SNVBAGLBSA-N 0 0 331.825 1.474 10 0 EDAERN CC(C)[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1nc2ccccc2[nH]1 ZINC000171580781 528558537 /nfs/dbraw/zinc/55/85/37/528558537.db2.gz FTBRPCTYPOLUNJ-XJKSGUPXSA-N 0 0 345.447 1.890 10 0 EDAERN CC(C)[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C(N)=O ZINC000184248034 528561660 /nfs/dbraw/zinc/56/16/60/528561660.db2.gz ZJNLXUHYKPZVOD-VXGBXAGGSA-N 0 0 331.338 1.969 10 0 EDAERN CCCNc1ncc(S(=O)(=O)N2CCS[C@@H](CC)C2)cn1 ZINC000158044359 528574524 /nfs/dbraw/zinc/57/45/24/528574524.db2.gz HRLAMDKXJXUACQ-NSHDSACASA-N 0 0 330.479 1.815 10 0 EDAERN CCOc1cccc2[nH]cc(CC(=O)N[C@H]3CCc4ncnn4C3)c21 ZINC000187906256 528696978 /nfs/dbraw/zinc/69/69/78/528696978.db2.gz QPDRUDIUZFYATO-ZDUSSCGKSA-N 0 0 339.399 1.832 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N(C)Cc1cccs1 ZINC000176573745 528702726 /nfs/dbraw/zinc/70/27/26/528702726.db2.gz UTFGDOSEZZJNTF-JOCHJYFZSA-N 0 0 341.462 1.223 10 0 EDAERN CCCCOc1ncccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186536464 528707504 /nfs/dbraw/zinc/70/75/04/528707504.db2.gz QFWFWXFIHWDLDF-UHFFFAOYSA-N 0 0 346.431 1.681 10 0 EDAERN CCCc1noc(CCCC(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000171661874 528782611 /nfs/dbraw/zinc/78/26/11/528782611.db2.gz CXTDUIHQNFOBPG-CYBMUJFWSA-N 0 0 332.408 1.800 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CC1CCOCC1 ZINC000162885308 528807746 /nfs/dbraw/zinc/80/77/46/528807746.db2.gz WLCBACZBABJKLG-AWEZNQCLSA-N 0 0 332.466 1.076 10 0 EDAERN CC(C)[C@H](C)NC(=O)Cn1ncc(I)cc1=O ZINC000158605452 528966373 /nfs/dbraw/zinc/96/63/73/528966373.db2.gz QPDIDSZHFMNDDQ-QMMMGPOBSA-N 0 0 349.172 1.009 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246926027 535138426 /nfs/dbraw/zinc/13/84/26/535138426.db2.gz ZBDILACWTXUPPZ-GJZGRUSLSA-N 0 0 347.459 1.354 10 0 EDAERN CCC[C@@H](CCc1ccccc1)NC(=O)N1CC(NC(=O)COC)C1 ZINC000185519610 535339653 /nfs/dbraw/zinc/33/96/53/535339653.db2.gz HWWVMGKYMQPUCW-INIZCTEOSA-N 0 0 347.459 1.944 10 0 EDAERN CCN(CC)C(=O)NC[C@@H]1CN(c2ccc(OC)cc2)C(=O)CO1 ZINC000041418417 535455094 /nfs/dbraw/zinc/45/50/94/535455094.db2.gz BCQIFMNXLXWBOS-OAHLLOKOSA-N 0 0 335.404 1.478 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000249802501 535543207 /nfs/dbraw/zinc/54/32/07/535543207.db2.gz AOAOCVUXDBEYOT-QWHCGFSZSA-N 0 0 327.450 1.448 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(OC)c(O)c1)CC2 ZINC000114935103 536164198 /nfs/dbraw/zinc/16/41/98/536164198.db2.gz IHJOSBQTUKOSAI-GFCCVEGCSA-N 0 0 345.403 1.369 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)C(C)C ZINC000178689633 536381408 /nfs/dbraw/zinc/38/14/08/536381408.db2.gz KSTNUWIOGWVNJS-MRXNPFEDSA-N 0 0 347.459 1.801 10 0 EDAERN CN[C@H](C(=O)NC[C@H](O)c1cccc(OC(C)C)c1)c1cnn(C)c1 ZINC000262044599 536383495 /nfs/dbraw/zinc/38/34/95/536383495.db2.gz GSFHTFAMSKDRGL-IRXDYDNUSA-N 0 0 346.431 1.318 10 0 EDAERN COC(=O)c1ccccc1CC[S@@](=O)Cc1nnnn1C(C)C ZINC000187166973 536815095 /nfs/dbraw/zinc/81/50/95/536815095.db2.gz HQNXIXGUARMRDE-HSZRJFAPSA-N 0 0 336.417 1.532 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C)cn3)C2)cn1 ZINC000195244998 536869875 /nfs/dbraw/zinc/86/98/75/536869875.db2.gz OMBUQKUUEZRLFI-ZDUSSCGKSA-N 0 0 336.417 1.621 10 0 EDAERN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794585133 580898691 /nfs/dbraw/zinc/89/86/91/580898691.db2.gz GXABQQIGCFINKQ-LBPRGKRZSA-N 0 0 330.175 1.563 10 0 EDAERN CO[C@H]1CCCCN(CC(=O)N2CC(=O)Nc3c(F)cccc32)C1=O ZINC000888076093 590929946 /nfs/dbraw/zinc/92/99/46/590929946.db2.gz XXPPOGRCPKLAMG-ZDUSSCGKSA-N 0 0 349.362 1.138 10 0 EDAERN COc1ccc(C(=O)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)nn1 ZINC000888078505 590935374 /nfs/dbraw/zinc/93/53/74/590935374.db2.gz XIQZTDOUOVJYQU-WBMJQRKESA-N 0 0 345.403 1.343 10 0 EDAERN Cc1c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nnn1CC1CCCC1 ZINC000888079290 590936096 /nfs/dbraw/zinc/93/60/96/590936096.db2.gz SYKJLWLWINWOSB-SQWLQELKSA-N 0 0 344.419 1.078 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCN1CCOC ZINC000117303670 595617007 /nfs/dbraw/zinc/61/70/07/595617007.db2.gz BJSBUZLFJCHFSA-MRXNPFEDSA-N 0 0 343.431 1.450 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cccnc1 ZINC000858008724 595684673 /nfs/dbraw/zinc/68/46/73/595684673.db2.gz WHXDYZOHPXILOH-GXTWGEPZSA-N 0 0 336.417 1.261 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3cnc(-c4ccccc4)n3)CCO2)c1 ZINC000117864056 595844334 /nfs/dbraw/zinc/84/43/34/595844334.db2.gz PTLSQWNMKVSZHD-KRWDZBQOSA-N 0 0 338.415 1.809 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3nccc3-c3ccncc3)CCO2)c1 ZINC000112071259 596016524 /nfs/dbraw/zinc/01/65/24/596016524.db2.gz ONMJMIXHTNULSD-KRWDZBQOSA-N 0 0 338.415 1.809 10 0 EDAERN Cc1noc([C@H]2CC(=O)N(C3CN(Cc4cc(C5CC5)no4)C3)C2)n1 ZINC000864313413 596832090 /nfs/dbraw/zinc/83/20/90/596832090.db2.gz UNNNWDYKYOLFLK-LBPRGKRZSA-N 0 0 343.387 1.444 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000193588160 695870718 /nfs/dbraw/zinc/87/07/18/695870718.db2.gz OTZJIIUSEZWECZ-AWEZNQCLSA-N 0 0 328.376 1.400 10 0 EDAERN O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CNC(=O)C1 ZINC000181336855 699491355 /nfs/dbraw/zinc/49/13/55/699491355.db2.gz YYPMMRMKTNJOOH-LRDDRELGSA-N 0 0 341.323 1.759 10 0 EDAERN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)Nc1sccc1C(N)=O ZINC000183650419 702244722 /nfs/dbraw/zinc/24/47/22/702244722.db2.gz AKHWWGAUCVIKSY-GWCFXTLKSA-N 0 0 333.413 1.497 10 0 EDAERN CN1C(=O)CCc2cc(CN3CCO[C@H](Cn4cccn4)C3)ccc21 ZINC000186948009 707186731 /nfs/dbraw/zinc/18/67/31/707186731.db2.gz AJJDYGAGXRYKHC-KRWDZBQOSA-N 0 0 340.427 1.693 10 0 EDAERN C[C@@H](NCc1cc(Br)c(Br)o1)C(N)=O ZINC000050359420 214054315 /nfs/dbraw/zinc/05/43/15/214054315.db2.gz XHQOYOWAZGZKKS-SCSAIBSYSA-N 0 0 325.988 1.768 10 0 EDAERN Nc1ccc(Cl)c(-c2nnnn2C[C@H]2CCS(=O)(=O)C2)c1 ZINC000050604478 214060375 /nfs/dbraw/zinc/06/03/75/214060375.db2.gz LZTFBTPBZGSNHO-MRVPVSSYSA-N 0 0 327.797 1.010 10 0 EDAERN C[C@H](C1CC1)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050658219 214064703 /nfs/dbraw/zinc/06/47/03/214064703.db2.gz PMGMGPNCDFIYHX-SECBINFHSA-N 0 0 332.447 1.091 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N1CCC[C@H]1CO ZINC000050786755 214070622 /nfs/dbraw/zinc/07/06/22/214070622.db2.gz MJWHOZGAEJWZCC-JTQLQIEISA-N 0 0 328.210 1.873 10 0 EDAERN C[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccccc2Br)CC1 ZINC000051638981 214098600 /nfs/dbraw/zinc/09/86/00/214098600.db2.gz ARBDDHWURYPUQA-JTQLQIEISA-N 0 0 341.205 1.680 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O ZINC000051994557 214111999 /nfs/dbraw/zinc/11/19/99/214111999.db2.gz OBPGQXHFXRRMBA-QWRGUYRKSA-N 0 0 349.250 1.613 10 0 EDAERN Cc1cc(Sc2ccc(S(=O)(=O)N(C)C)cc2N)n(C)n1 ZINC000052308392 214125670 /nfs/dbraw/zinc/12/56/70/214125670.db2.gz VOVYTCCZQPPOBF-UHFFFAOYSA-N 0 0 326.447 1.712 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCC(=O)OCC2CC2)[C@@H]1c1ccc(F)cc1 ZINC000125762046 222605889 /nfs/dbraw/zinc/60/58/89/222605889.db2.gz MKFYEXIETBOIHM-YOEHRIQHSA-N 0 0 348.374 1.415 10 0 EDAERN C[C@H](CN1C(=O)c2ccc(Br)cc2C1=O)C(N)=S ZINC000054154620 214220308 /nfs/dbraw/zinc/22/03/08/214220308.db2.gz KRNSQSHPGOECMK-ZCFIWIBFSA-N 0 0 327.203 1.967 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)C(N)=S ZINC000054154402 214220683 /nfs/dbraw/zinc/22/06/83/214220683.db2.gz FZUOAHGSEJAAEH-ZETCQYMHSA-N 0 0 337.264 1.650 10 0 EDAERN CNC(=O)c1ccc([C@H]2CCCCN2C(=O)C2=CCOCC2)n1C ZINC000377608646 290631149 /nfs/dbraw/zinc/63/11/49/290631149.db2.gz TUSSSMBLISCVRJ-OAHLLOKOSA-N 0 0 331.416 1.785 10 0 EDAERN COC(=O)C[C@H](NC(=O)Cn1c(C)c(C)sc1=O)c1ccccc1 ZINC000055157998 214280048 /nfs/dbraw/zinc/28/00/48/214280048.db2.gz YQNGZBFQTUYXEP-AWEZNQCLSA-N 0 0 348.424 1.947 10 0 EDAERN C[C@@H](NC(=O)c1csc(N)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000055188765 214285254 /nfs/dbraw/zinc/28/52/54/214285254.db2.gz TZJZAGNQGWRHFE-MRVPVSSYSA-N 0 0 325.415 1.620 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000173809640 231039986 /nfs/dbraw/zinc/03/99/86/231039986.db2.gz KUAKYSBXZHFPLF-HUUCEWRRSA-N 0 0 327.384 1.883 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)no1 ZINC000173951298 231079121 /nfs/dbraw/zinc/07/91/21/231079121.db2.gz XYJGNBHZTOTZKN-GFCCVEGCSA-N 0 0 339.355 1.985 10 0 EDAERN CC[S@@](=O)CCNc1cnn(C(C)C)c(=O)c1Br ZINC000158828414 529448060 /nfs/dbraw/zinc/44/80/60/529448060.db2.gz GBJQBMRZXLVTMB-SFHVURJKSA-N 0 0 336.255 1.767 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000174648180 231267167 /nfs/dbraw/zinc/26/71/67/231267167.db2.gz YITRDIZIYGTUSY-HUUCEWRRSA-N 0 0 346.431 1.495 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000174792649 231313012 /nfs/dbraw/zinc/31/30/12/231313012.db2.gz GPXDTNISAPQBPH-ZNMIVQPWSA-N 0 0 335.404 1.090 10 0 EDAERN CCn1nc(C)c(Br)c1C[C@@H](NN)c1cnns1 ZINC000158289704 529599737 /nfs/dbraw/zinc/59/97/37/529599737.db2.gz UWTSFRYEXXQADC-SSDOTTSWSA-N 0 0 331.243 1.573 10 0 EDAERN CCc1ccnc(C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)c1 ZINC000181472246 529626629 /nfs/dbraw/zinc/62/66/29/529626629.db2.gz PIMXKCWAMCZLFA-CQSZACIVSA-N 0 0 340.431 1.875 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000049684251 214026529 /nfs/dbraw/zinc/02/65/29/214026529.db2.gz LWBZHBWGYYPZRG-SNVBAGLBSA-N 0 0 341.776 1.307 10 0 EDAERN OC[C@@H]1O[C@@H](n2cnc3c2ncnc3Oc2ccccc2)C[C@H]1O ZINC000098044117 219073190 /nfs/dbraw/zinc/07/31/90/219073190.db2.gz VEPXNPNNUCUROO-FRRDWIJNSA-N 0 0 328.328 1.259 10 0 EDAERN Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CCCn4ncnc43)cc21 ZINC000176096667 231572952 /nfs/dbraw/zinc/57/29/52/231572952.db2.gz MDDPPLGLKVVLAI-ZDUSSCGKSA-N 0 0 338.371 1.360 10 0 EDAERN Cc1ccsc1CC1(CCc2ccncc2)C(=O)NC(=O)NC1=O ZINC000004575521 210225476 /nfs/dbraw/zinc/22/54/76/210225476.db2.gz KOUBVOYHYZPOLM-UHFFFAOYSA-N 0 0 343.408 1.979 10 0 EDAERN COc1cccc([C@@H]([NH3+])[C@@H](C(=O)[O-])C(=O)OC(C)(C)C)c1OC ZINC000098087811 219081901 /nfs/dbraw/zinc/08/19/01/219081901.db2.gz PBINCYPQPOUWAD-NWDGAFQWSA-N 0 0 325.361 1.746 10 0 EDAERN CCN(CC)c1nc(Cl)nc(N[C@]2(C)CCS(=O)(=O)C2)n1 ZINC000061541050 214665698 /nfs/dbraw/zinc/66/56/98/214665698.db2.gz OAXBFWOZPYEYSX-GFCCVEGCSA-N 0 0 333.845 1.360 10 0 EDAERN COc1cc(NC(=O)c2nn3c(C)nnc3s2)cc(OC)c1OC ZINC000062023177 214694126 /nfs/dbraw/zinc/69/41/26/214694126.db2.gz JJUNAKUFVTWPHO-UHFFFAOYSA-N 0 0 349.372 1.772 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000153187949 529749665 /nfs/dbraw/zinc/74/96/65/529749665.db2.gz CWISXLRXSIOEFF-JSGCOSHPSA-N 0 0 343.435 1.988 10 0 EDAERN CCc1nc(Cl)cc(=O)n1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000164983727 529742129 /nfs/dbraw/zinc/74/21/29/529742129.db2.gz CWOIAJMZUYFKHR-SNVBAGLBSA-N 0 0 333.841 1.131 10 0 EDAERN CC(=O)NCCCCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000062225202 214706495 /nfs/dbraw/zinc/70/64/95/214706495.db2.gz BKLBMQQZSCKFNR-CYBMUJFWSA-N 0 0 327.425 1.418 10 0 EDAERN CN(C)c1cccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000164200463 529790346 /nfs/dbraw/zinc/79/03/46/529790346.db2.gz MVGDFCQYXANPDE-AWEZNQCLSA-N 0 0 329.408 1.286 10 0 EDAERN COC(CNC(=O)CN1CCN(c2cccc(Cl)c2)C1=O)OC ZINC000049381744 214004166 /nfs/dbraw/zinc/00/41/66/214004166.db2.gz OWWKFAIGVZIGOI-UHFFFAOYSA-N 0 0 341.795 1.317 10 0 EDAERN COc1ccccc1N1CCN(CC(=O)Nc2ccncc2)C1=O ZINC000049385393 214003409 /nfs/dbraw/zinc/00/34/09/214003409.db2.gz JBMNBJGTHJBROY-UHFFFAOYSA-N 0 0 326.356 1.971 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000166708855 529901662 /nfs/dbraw/zinc/90/16/62/529901662.db2.gz UGFAGDMDCQNDMR-NSHDSACASA-N 0 0 343.305 1.381 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000101528350 219131841 /nfs/dbraw/zinc/13/18/41/219131841.db2.gz WHCVTDFAAQOBMX-HNNXBMFYSA-N 0 0 346.431 1.376 10 0 EDAERN O=C(NCc1ccn2ccnc2c1)N1CCC[C@H](n2cncn2)C1 ZINC000177760845 231978352 /nfs/dbraw/zinc/97/83/52/231978352.db2.gz HCBJRLJRCBJZBU-AWEZNQCLSA-N 0 0 325.376 1.473 10 0 EDAERN COC(=O)[C@H](N)Cn1c(C)nc(Br)c1Br ZINC000725255902 539392530 /nfs/dbraw/zinc/39/25/30/539392530.db2.gz IMTAOLCCGYSZMH-RXMQYKEDSA-N 0 0 341.003 1.217 10 0 EDAERN CCC1(CC)[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C[C@H]1OC ZINC000247950037 282421744 /nfs/dbraw/zinc/42/17/44/282421744.db2.gz DYARTVIASUHRKN-BZUAXINKSA-N 0 0 339.480 1.696 10 0 EDAERN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C[C@H](O)C(C)C ZINC000126781243 222749689 /nfs/dbraw/zinc/74/96/89/222749689.db2.gz DPIYTVLVWGEOJY-ZFWWWQNUSA-N 0 0 327.446 1.762 10 0 EDAERN CCOC(=O)Cc1csc(N2C(=O)C[C@H](SCC)C2=O)n1 ZINC000102310343 219193748 /nfs/dbraw/zinc/19/37/48/219193748.db2.gz HZPDHNCQQARATQ-VIFPVBQESA-N 0 0 328.415 1.634 10 0 EDAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1cc(F)ccc1F ZINC000102660815 219219301 /nfs/dbraw/zinc/21/93/01/219219301.db2.gz SDLNPNUZBGMFOS-VIFPVBQESA-N 0 0 333.356 1.927 10 0 EDAERN CC(=O)NC[C@H]1CCCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000067362488 215137006 /nfs/dbraw/zinc/13/70/06/215137006.db2.gz ZCFVTTRSGYVFEI-WBVHZDCISA-N 0 0 339.480 1.548 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000067490911 215154379 /nfs/dbraw/zinc/15/43/79/215154379.db2.gz RAYIUEGVOOVHRV-QMMMGPOBSA-N 0 0 348.371 1.468 10 0 EDAERN CCN([C@@H](C)COC)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000042780828 213534592 /nfs/dbraw/zinc/53/45/92/213534592.db2.gz UQTICGFYTZLLGJ-NSHDSACASA-N 0 0 330.475 1.507 10 0 EDAERN C[C@H]1CNC(=O)CCN1Cc1cnc(NCc2ccccc2)nc1 ZINC000067673332 215177730 /nfs/dbraw/zinc/17/77/30/215177730.db2.gz YVPKQJCIGYPOHY-AWEZNQCLSA-N 0 0 325.416 1.799 10 0 EDAERN COC[C@H](C)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000103383533 219295130 /nfs/dbraw/zinc/29/51/30/219295130.db2.gz BKQQGTGVRSXPDO-ZDUSSCGKSA-N 0 0 334.416 1.285 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000103392967 219296035 /nfs/dbraw/zinc/29/60/35/219296035.db2.gz GYRQYBFJUNNCNA-NSHDSACASA-N 0 0 326.343 1.532 10 0 EDAERN CC[C@H](C(=O)N1CCO[C@H]2CS(=O)(=O)C[C@@H]21)c1ccc(F)cc1 ZINC000041313396 213439160 /nfs/dbraw/zinc/43/91/60/213439160.db2.gz ZSKPYBCJPSWOFL-KKUMJFAQSA-N 0 0 341.404 1.344 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)Nc3cccnn3)CC2)cn1 ZINC000151760118 539763562 /nfs/dbraw/zinc/76/35/62/539763562.db2.gz MRAKCDXDLWIGSZ-UHFFFAOYSA-N 0 0 343.435 1.778 10 0 EDAERN CN1CCC(=O)Nc2cc(C(=O)N[C@@H]3CCCn4ncnc43)ccc21 ZINC000176132736 282681683 /nfs/dbraw/zinc/68/16/83/282681683.db2.gz JGQYZHRMWBSXRN-GFCCVEGCSA-N 0 0 340.387 1.321 10 0 EDAERN CCCc1nc(Cn2cc(Br)c(=O)[nH]c2=O)cs1 ZINC000104273697 219367549 /nfs/dbraw/zinc/36/75/49/219367549.db2.gz YCNMMVSVBKVHIF-UHFFFAOYSA-N 0 0 330.207 1.756 10 0 EDAERN COC(=O)c1cc(Nc2ncnc(N(C)C)c2N)cc(C(=O)OC)c1 ZINC000040705591 213371681 /nfs/dbraw/zinc/37/16/81/213371681.db2.gz WTHMTFCPKMDSSO-UHFFFAOYSA-N 0 0 345.359 1.442 10 0 EDAERN CC/C(=C\c1ccccc1)C(=O)N1CCO[C@H]2CS(=O)(=O)C[C@H]21 ZINC000040666337 213367050 /nfs/dbraw/zinc/36/70/50/213367050.db2.gz WEOGHSXVLDHIGE-HZWIXDFKSA-N 0 0 335.425 1.504 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000152792725 539832975 /nfs/dbraw/zinc/83/29/75/539832975.db2.gz MURWEOZHESPREX-OCCSQVGLSA-N 0 0 333.319 1.421 10 0 EDAERN O=S(=O)(Cc1ccccc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180969391 234048915 /nfs/dbraw/zinc/04/89/15/234048915.db2.gz NWANUSNDOWJOKT-ZDUSSCGKSA-N 0 0 338.408 1.659 10 0 EDAERN Cn1cc([C@H]2[C@@H](C(=O)Nc3ncccc3O)CCC(=O)N2C)cn1 ZINC000181001412 234058426 /nfs/dbraw/zinc/05/84/26/234058426.db2.gz AUWKSKYNCBOHRU-FZMZJTMJSA-N 0 0 329.360 1.069 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000181041453 234068233 /nfs/dbraw/zinc/06/82/33/234068233.db2.gz FPTZRYYNGOPXBL-RYUDHWBXSA-N 0 0 343.387 1.078 10 0 EDAERN CN(C(=O)N[C@@H]1CCc2ncnn2C1)[C@@H]1CCCc2c1cnn2C ZINC000159053370 540003353 /nfs/dbraw/zinc/00/33/53/540003353.db2.gz DAENQQUONHEBHP-DGCLKSJQSA-N 0 0 329.408 1.045 10 0 EDAERN Cc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1O ZINC000174988269 540096873 /nfs/dbraw/zinc/09/68/73/540096873.db2.gz AWVMCRABSNLNCZ-XJKSGUPXSA-N 0 0 342.399 1.982 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2ccnc(C)n2)N2CCOCC2)s1 ZINC000176548629 540101174 /nfs/dbraw/zinc/10/11/74/540101174.db2.gz USEDWVGHDWKXRY-HNNXBMFYSA-N 0 0 346.456 1.958 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000189247293 540163849 /nfs/dbraw/zinc/16/38/49/540163849.db2.gz BTXNWJIWPXWJJZ-BRWVUGGUSA-N 0 0 344.411 1.232 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C2)cn1 ZINC000184013881 235285316 /nfs/dbraw/zinc/28/53/16/235285316.db2.gz WBNFERQHWQMDDH-HOCLYGCPSA-N 0 0 342.399 1.613 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000042009229 138106074 /nfs/dbraw/zinc/10/60/74/138106074.db2.gz AUACPBNRXPZSOY-MRXNPFEDSA-N 0 0 326.400 1.624 10 0 EDAERN O=C(NCCNC(=O)c1ccccc1F)N[C@H]1COc2ccccc21 ZINC000058576417 138160332 /nfs/dbraw/zinc/16/03/32/138160332.db2.gz IXRTWMWDNAIQJM-HNNXBMFYSA-N 0 0 343.358 1.988 10 0 EDAERN C[C@@H](NC(=O)NCCN1C(=O)CCC1=O)c1ccc(Cl)s1 ZINC000073039106 138213269 /nfs/dbraw/zinc/21/32/69/138213269.db2.gz MATSXWLORONDAM-MRVPVSSYSA-N 0 0 329.809 1.911 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 ZINC000088198295 138272075 /nfs/dbraw/zinc/27/20/75/138272075.db2.gz COCMWKPNXZOUFK-AWEZNQCLSA-N 0 0 337.387 1.686 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCOc1cccc(C=O)c1 ZINC000082976598 138268227 /nfs/dbraw/zinc/26/82/27/138268227.db2.gz OZTXMKCZMBYSPR-HNNXBMFYSA-N 0 0 328.372 1.819 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1nccn1CC(C)C ZINC000083734728 138269409 /nfs/dbraw/zinc/26/94/09/138269409.db2.gz KUSPDMRBJXOHHL-ZDUSSCGKSA-N 0 0 331.424 1.773 10 0 EDAERN O=C(/C=C/c1ccc(Cl)s1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796208 138270218 /nfs/dbraw/zinc/27/02/18/138270218.db2.gz WLNXBDIDAPATCZ-OHVSUOQFSA-N 0 0 325.777 1.225 10 0 EDAERN C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1cccc(Cl)c1 ZINC000078335528 138257012 /nfs/dbraw/zinc/25/70/12/138257012.db2.gz KISHYUAUKXVEFM-LBPRGKRZSA-N 0 0 339.823 1.901 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nncn2C)c1)[C@@H]1CCCO1 ZINC000078728211 138258773 /nfs/dbraw/zinc/25/87/73/138258773.db2.gz ITXPUCAPZNTKAL-RISCZKNCSA-N 0 0 343.387 1.104 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1cccc(Br)c1 ZINC000091784028 138285049 /nfs/dbraw/zinc/28/50/49/138285049.db2.gz YTBAHFYFUHAZAK-GFCCVEGCSA-N 0 0 341.205 1.094 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000105279658 138301290 /nfs/dbraw/zinc/30/12/90/138301290.db2.gz NFJWDXHCHKWRID-HNNXBMFYSA-N 0 0 329.404 1.384 10 0 EDAERN Cc1cc2cc(NC(=O)NC[C@@H](O)CN3CCOCC3)ccc2[nH]1 ZINC000092759253 138290240 /nfs/dbraw/zinc/29/02/40/138290240.db2.gz RQYWQAVPRHGBEH-OAHLLOKOSA-N 0 0 332.404 1.291 10 0 EDAERN CC[C@H](O)CN1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000118856847 138312824 /nfs/dbraw/zinc/31/28/24/138312824.db2.gz GIAMFZMNMCZCHA-ZBFHGGJFSA-N 0 0 349.475 1.794 10 0 EDAERN Cc1cccc(-n2cc(C(=O)N3CCC[C@@H](n4cncn4)C3)nn2)c1 ZINC000105855454 138302172 /nfs/dbraw/zinc/30/21/72/138302172.db2.gz SFOHSJOATLKFPK-OAHLLOKOSA-N 0 0 337.387 1.645 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)NC(=O)NCc3ccccc3)C2)cn1 ZINC000116318664 138311671 /nfs/dbraw/zinc/31/16/71/138311671.db2.gz YEFDSVSKJPFKEP-HNNXBMFYSA-N 0 0 341.415 1.235 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000123683180 138320557 /nfs/dbraw/zinc/32/05/57/138320557.db2.gz MHEIIYVQBLIRQC-TZMCWYRMSA-N 0 0 332.404 1.276 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(Br)ccc1N)[C@@H]1CCCO1 ZINC000037929577 213174357 /nfs/dbraw/zinc/17/43/57/213174357.db2.gz FSVJJNUPSWAILF-KWQFWETISA-N 0 0 349.250 1.877 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)c1nnc2n1CCCC2 ZINC000131730564 138365164 /nfs/dbraw/zinc/36/51/64/138365164.db2.gz TVUJWPKSEXNBEQ-IUODEOHRSA-N 0 0 339.399 1.985 10 0 EDAERN COc1cc(C)cc(CNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000133068080 138388136 /nfs/dbraw/zinc/38/81/36/138388136.db2.gz CYPPNYNTVSPDBG-HNNXBMFYSA-N 0 0 345.403 1.713 10 0 EDAERN CS[C@H](C)CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000133796609 138398578 /nfs/dbraw/zinc/39/85/78/138398578.db2.gz LAYJCGLCVUVRLF-CYBMUJFWSA-N 0 0 325.482 1.389 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)CCC(=O)NCCN(C)C)cc1 ZINC000036171751 213074447 /nfs/dbraw/zinc/07/44/47/213074447.db2.gz ZKNSLIVYFQECJI-UHFFFAOYSA-N 0 0 342.461 1.315 10 0 EDAERN NS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cccc(F)c1)CC2 ZINC000036135574 213073317 /nfs/dbraw/zinc/07/33/17/213073317.db2.gz XAASRHAWZVNUAC-UHFFFAOYSA-N 0 0 334.372 1.672 10 0 EDAERN NS(=O)(=O)c1ccc(N[C@H]2CCCOC2)c(Br)c1 ZINC000070464640 215699387 /nfs/dbraw/zinc/69/93/87/215699387.db2.gz BJIARFWFEDIMKK-QMMMGPOBSA-N 0 0 335.223 1.687 10 0 EDAERN Cc1ccc(OCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000036107496 213068861 /nfs/dbraw/zinc/06/88/61/213068861.db2.gz KECOTWMPRKIXDS-INIZCTEOSA-N 0 0 332.400 1.224 10 0 EDAERN CCOc1ccc([C@H](CNS(C)(=O)=O)N2CCOCC2)cc1 ZINC000036091690 213062072 /nfs/dbraw/zinc/06/20/72/213062072.db2.gz WMBCBYOBTFKZGX-HNNXBMFYSA-N 0 0 328.434 1.008 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1C[C@@H](O)C[C@H]1CO ZINC000187704522 236281014 /nfs/dbraw/zinc/28/10/14/236281014.db2.gz RMLHOQNLSPCTMU-AVGNSLFASA-N 0 0 332.322 1.297 10 0 EDAERN N[C@H](C(=O)N1CCOCC1)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000034844111 212992263 /nfs/dbraw/zinc/99/22/63/212992263.db2.gz CDSGGNMOGDRZMZ-INIZCTEOSA-N 0 0 340.383 1.193 10 0 EDAERN C[C@H]1CN(C(=O)CCOCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173882567 138676391 /nfs/dbraw/zinc/67/63/91/138676391.db2.gz AQELNZMNKXZPFF-WMZOPIPTSA-N 0 0 332.444 1.772 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCCCC(C)C)C2=O)n(C)n1 ZINC000174909836 138689339 /nfs/dbraw/zinc/68/93/39/138689339.db2.gz LKHHNRORJPVDOS-CQSZACIVSA-N 0 0 335.452 1.959 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)c1cccs1 ZINC000177137518 138723864 /nfs/dbraw/zinc/72/38/64/138723864.db2.gz UJWIADRZCSVEEE-CYBMUJFWSA-N 0 0 332.429 1.674 10 0 EDAERN Cc1ccc2c(c1)OC(=O)CN2CC(=O)N1CCCC[C@@H]1CCO ZINC000031846533 212751976 /nfs/dbraw/zinc/75/19/76/212751976.db2.gz VCUCVTPWODROGC-CQSZACIVSA-N 0 0 332.400 1.484 10 0 EDAERN CN(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)c1nncs1 ZINC000184311009 138793813 /nfs/dbraw/zinc/79/38/13/138793813.db2.gz LEGCUQNWUUIHJG-AAEUAGOBSA-N 0 0 334.376 1.860 10 0 EDAERN O=S1(=O)C[C@@H](O)[C@H](Oc2ccc(Br)cc2F)C1 ZINC000037489222 213148826 /nfs/dbraw/zinc/14/88/26/213148826.db2.gz YQISETKVWFQIGB-PSASIEDQSA-N 0 0 325.155 1.125 10 0 EDAERN [NH3+][C@@H](CCSCC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000037735538 213164205 /nfs/dbraw/zinc/16/42/05/213164205.db2.gz PSDASFIQAATCGV-JTQLQIEISA-N 0 0 347.234 1.923 10 0 EDAERN Nc1[nH]c(N2CCCCC2)nc(=O)c1C=C1C(=O)Nc2ccccc21 ZINC000072448725 216238436 /nfs/dbraw/zinc/23/84/36/216238436.db2.gz QEIJIEFNJZNFFU-ZRDIBKRKSA-N 0 0 337.383 1.835 10 0 EDAERN COCc1nn2c(nnc3c(=O)n(C4CC4)cnc32)c1-c1ccccc1 ZINC000072449935 216238743 /nfs/dbraw/zinc/23/87/43/216238743.db2.gz CMWBZRWFRPFVRP-UHFFFAOYSA-N 0 0 348.366 1.983 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000130520676 223159254 /nfs/dbraw/zinc/15/92/54/223159254.db2.gz YSZLGPVOXYHUQN-BETUJISGSA-N 0 0 347.390 1.940 10 0 EDAERN Cc1ccc(N2CC[C@@H](NC(=O)N3CCC([C@@H](C)O)CC3)C2=O)cc1 ZINC000074608313 216502438 /nfs/dbraw/zinc/50/24/38/216502438.db2.gz FKGXZNHQTIKBFO-RHSMWYFYSA-N 0 0 345.443 1.903 10 0 EDAERN COc1ccc(CNC(=O)C2=NNC(=O)CC2)cc1Br ZINC000075011630 216543842 /nfs/dbraw/zinc/54/38/42/216543842.db2.gz DRXNKKQXXTXZNW-UHFFFAOYSA-N 0 0 340.177 1.340 10 0 EDAERN O=C(NC1CN(C(=O)c2cncn2-c2ccc(F)cc2)C1)C1CC1 ZINC000189470220 138874881 /nfs/dbraw/zinc/87/48/81/138874881.db2.gz QQWFORZSWGJBFR-UHFFFAOYSA-N 0 0 328.347 1.362 10 0 EDAERN O=C(NCC1(c2cccs2)CCOCC1)C(=O)Nc1ccon1 ZINC000021690590 212240543 /nfs/dbraw/zinc/24/05/43/212240543.db2.gz YFCMBPOGLLOVTJ-UHFFFAOYSA-N 0 0 335.385 1.539 10 0 EDAERN O=C(Nc1nnc2n1CCS2)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000021110762 212208636 /nfs/dbraw/zinc/20/86/36/212208636.db2.gz FBLKLRAQUNUMMO-SNVBAGLBSA-N 0 0 329.385 1.375 10 0 EDAERN C[C@H](Oc1ccc(Br)cc1C=O)C(=O)N1CCOCC1 ZINC000020298284 212118254 /nfs/dbraw/zinc/11/82/54/212118254.db2.gz NTBTUDUXRHOODS-JTQLQIEISA-N 0 0 342.189 1.888 10 0 EDAERN NC(=O)CN1CCC(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000020271471 212115469 /nfs/dbraw/zinc/11/54/69/212115469.db2.gz ZOSJXXIJQRQYKS-UHFFFAOYSA-N 0 0 349.822 1.030 10 0 EDAERN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CC(=O)OC)cc1 ZINC000020114086 212102750 /nfs/dbraw/zinc/10/27/50/212102750.db2.gz NEQLWYJHTIHXIE-JTQLQIEISA-N 0 0 328.390 1.265 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000192828115 138954930 /nfs/dbraw/zinc/95/49/30/138954930.db2.gz AXEYHOTZONBLDO-HUUCEWRRSA-N 0 0 338.835 1.716 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)n1 ZINC000193322649 138966757 /nfs/dbraw/zinc/96/67/57/138966757.db2.gz RAPOJRMIKWHNPO-UHFFFAOYSA-N 0 0 327.388 1.464 10 0 EDAERN O=C([C@H]1SCCc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173763828 296156208 /nfs/dbraw/zinc/15/62/08/296156208.db2.gz POAHRGCEEJKTFV-WBVHZDCISA-N 0 0 332.469 1.950 10 0 EDAERN O=C(Cn1cc(Br)ccc1=O)N[C@H]1COc2ccccc21 ZINC000194878231 139001704 /nfs/dbraw/zinc/00/17/04/139001704.db2.gz DRADBDOBTOBEJD-LBPRGKRZSA-N 0 0 349.184 1.861 10 0 EDAERN CC(C)NS(=O)(=O)c1ccc(NCc2nnnn2C(C)C)cc1 ZINC000194992091 139003957 /nfs/dbraw/zinc/00/39/57/139003957.db2.gz OCRFSEJKCZURGI-UHFFFAOYSA-N 0 0 338.437 1.553 10 0 EDAERN Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1S(C)(=O)=O ZINC000195054230 139005837 /nfs/dbraw/zinc/00/58/37/139005837.db2.gz CJNWPTFEYXONIJ-HNNXBMFYSA-N 0 0 336.457 1.709 10 0 EDAERN Cc1csc([C@H]2CN(CC(=O)N(C)CC(F)(F)F)CCO2)n1 ZINC000195395467 139015702 /nfs/dbraw/zinc/01/57/02/139015702.db2.gz LJUQTZPYVNUGAE-SNVBAGLBSA-N 0 0 337.367 1.846 10 0 EDAERN COc1cc([N-]S(=O)(=O)C[C@H]2CCC[NH2+]2)c(OC)cc1Cl ZINC000049640719 214024387 /nfs/dbraw/zinc/02/43/87/214024387.db2.gz GHYAERSOPMHEDP-SECBINFHSA-N 0 0 334.825 1.851 10 0 EDAERN CCOC(=O)C1C(COC)=Nc2ncnn2[C@@H]1c1ccccc1OC ZINC000017071824 211953324 /nfs/dbraw/zinc/95/33/24/211953324.db2.gz UURLOYYXBGEEJS-OAHLLOKOSA-N 0 0 344.371 1.765 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110874350 220073539 /nfs/dbraw/zinc/07/35/39/220073539.db2.gz DQZXXEIWKOKJHJ-NSHDSACASA-N 0 0 334.401 1.276 10 0 EDAERN O=C(c1cc(=O)[nH]c2ccccc21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111089629 220098870 /nfs/dbraw/zinc/09/88/70/220098870.db2.gz WLHXGVVHGGSYTE-CYBMUJFWSA-N 0 0 338.367 1.678 10 0 EDAERN CCSc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000111080761 220097054 /nfs/dbraw/zinc/09/70/54/220097054.db2.gz SJNAGCWYKWZTPG-AWEZNQCLSA-N 0 0 332.429 1.931 10 0 EDAERN O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085327 220097342 /nfs/dbraw/zinc/09/73/42/220097342.db2.gz SYIJEVSXZZFCJD-OAHLLOKOSA-N 0 0 338.371 1.005 10 0 EDAERN Cc1csc([C@@H]2CN([C@@H]3CCN(CC(F)(F)F)C3=O)CCO2)n1 ZINC000111211928 220109443 /nfs/dbraw/zinc/10/94/43/220109443.db2.gz VGOSAWKGUMTJHI-MNOVXSKESA-N 0 0 349.378 1.988 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CCCc4c(N)cccc43)nc2n1 ZINC000237798958 139060568 /nfs/dbraw/zinc/06/05/68/139060568.db2.gz BHDQYYWEIYQGAQ-UHFFFAOYSA-N 0 0 336.399 1.845 10 0 EDAERN CCOCCCNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000111793422 220191153 /nfs/dbraw/zinc/19/11/53/220191153.db2.gz BXQSSFYVZUCWFF-GFCCVEGCSA-N 0 0 325.413 1.193 10 0 EDAERN CCc1nc(CCNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cs1 ZINC000111850943 220207852 /nfs/dbraw/zinc/20/78/52/220207852.db2.gz CUCJHQZUMALGHV-CQSZACIVSA-N 0 0 349.460 1.555 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)COc3cccc(C)c3)CCO2)c1 ZINC000112061434 220235984 /nfs/dbraw/zinc/23/59/84/220235984.db2.gz VHKPABUFXCTIBG-QGZVFWFLSA-N 0 0 329.400 1.806 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000245464257 139076049 /nfs/dbraw/zinc/07/60/49/139076049.db2.gz PHJVXJGOCZTLBX-OAGGEKHMSA-N 0 0 349.431 1.398 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)c1 ZINC000112094074 220241379 /nfs/dbraw/zinc/24/13/79/220241379.db2.gz UFGUOUCYTALVKX-CQSZACIVSA-N 0 0 339.392 1.420 10 0 EDAERN O=S1(=O)CC[C@H](C[C@@H](O)Cc2ccc(Br)cn2)C1 ZINC000139897203 223713345 /nfs/dbraw/zinc/71/33/45/223713345.db2.gz ULKYEWYKDLVGEA-BXKDBHETSA-N 0 0 334.235 1.572 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151441236 223821467 /nfs/dbraw/zinc/82/14/67/223821467.db2.gz YFQQAMUUEDCLCG-DNVCBOLYSA-N 0 0 346.427 1.708 10 0 EDAERN CC[C@H](NC(=O)N[C@H]1CCCn2nc(COC)nc21)[C@H]1CCCO1 ZINC000245892343 139088665 /nfs/dbraw/zinc/08/86/65/139088665.db2.gz JSUUSUWIWQMMAB-RWMBFGLXSA-N 0 0 337.424 1.516 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=S)NCc2ccccc2F)cc1 ZINC000013937102 211656939 /nfs/dbraw/zinc/65/69/39/211656939.db2.gz ZWCJJNPNXKYONR-UHFFFAOYSA-N 0 0 339.417 1.960 10 0 EDAERN C[C@H](COCc1ccccc1)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000246281528 139102421 /nfs/dbraw/zinc/10/24/21/139102421.db2.gz VQBKMAJOGCFQPU-KFWWJZLASA-N 0 0 342.461 1.535 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246297453 139103028 /nfs/dbraw/zinc/10/30/28/139103028.db2.gz BPAVPXRMRUUYEO-WBVHZDCISA-N 0 0 347.459 1.595 10 0 EDAERN Cn1cc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C3CCCCC3)C2=O)cn1 ZINC000246725647 139118969 /nfs/dbraw/zinc/11/89/69/139118969.db2.gz DKOVRIVIBHDLCH-JYJNAYRXSA-N 0 0 330.432 1.858 10 0 EDAERN COCCn1ccc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000086431670 217697614 /nfs/dbraw/zinc/69/76/14/217697614.db2.gz QZWRJOVSHOPIGM-HNNXBMFYSA-N 0 0 342.399 1.662 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)NCC3CCCCC3)CCO2)[nH]1 ZINC000246789499 139121590 /nfs/dbraw/zinc/12/15/90/139121590.db2.gz AGOSZYMKZVRVCC-DOMZBBRYSA-N 0 0 335.452 1.571 10 0 EDAERN CCC[C@H](C)N1C[C@@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1=O ZINC000246873660 139125215 /nfs/dbraw/zinc/12/52/15/139125215.db2.gz GFJCCJHTADMUAL-FPMFFAJLSA-N 0 0 349.435 1.050 10 0 EDAERN C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246902351 139126284 /nfs/dbraw/zinc/12/62/84/139126284.db2.gz HRPWMXPVQBWSKJ-ZQIUZPCESA-N 0 0 336.407 1.772 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)NCCc3cccs3)CCO2)[nH]1 ZINC000247259981 139142888 /nfs/dbraw/zinc/14/28/88/139142888.db2.gz ZUNVEQQQXMYCPU-BXUZGUMPSA-N 0 0 349.460 1.295 10 0 EDAERN Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)NCc3ccccc3)CCO2)c1 ZINC000247392066 139147205 /nfs/dbraw/zinc/14/72/05/139147205.db2.gz XEKQULRXZQCCIR-AEFFLSMTSA-N 0 0 342.443 1.597 10 0 EDAERN Cc1cccc2cc(CNC(=O)C3CCN(CC(N)=O)CC3)[nH]c21 ZINC000091712988 218052445 /nfs/dbraw/zinc/05/24/45/218052445.db2.gz WNMCBIJXGKPQSI-UHFFFAOYSA-N 0 0 328.416 1.290 10 0 EDAERN CN(Cc1c[nH]nc1-c1ccccc1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000091808448 218069781 /nfs/dbraw/zinc/06/97/81/218069781.db2.gz BLDJOXWXFCCUNN-CYBMUJFWSA-N 0 0 341.371 1.023 10 0 EDAERN O=C([C@@H]1CSC(=O)N1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091767122 218062434 /nfs/dbraw/zinc/06/24/34/218062434.db2.gz JKTBJZBMMYQWIH-KPXOXKRLSA-N 0 0 328.340 1.424 10 0 EDAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)N(CC)CC2CC2)C12CCOCC2 ZINC000248718700 139172989 /nfs/dbraw/zinc/17/29/89/139172989.db2.gz OCKWNXBJYQVLQL-HUUCEWRRSA-N 0 0 346.493 1.527 10 0 EDAERN Cc1ccc(-c2noc(CCCN3CCOC[C@H]3C(N)=O)n2)cc1F ZINC000092229737 218127878 /nfs/dbraw/zinc/12/78/78/218127878.db2.gz KGUUNYNIPLMAON-AWEZNQCLSA-N 0 0 348.378 1.303 10 0 EDAERN C[C@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccc2ccccc2c1 ZINC000092231369 218128162 /nfs/dbraw/zinc/12/81/62/218128162.db2.gz CIFPYIXJMFARKU-SUMWQHHRSA-N 0 0 341.411 1.203 10 0 EDAERN CCOC(=O)CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000009784161 211124606 /nfs/dbraw/zinc/12/46/06/211124606.db2.gz KOZPCNIKKAAAIP-UHFFFAOYSA-N 0 0 328.390 1.265 10 0 EDAERN CC(=O)Nc1nc(CC(=O)N2CCC3(CC2)OCCO3)cs1 ZINC000009814461 211124073 /nfs/dbraw/zinc/12/40/73/211124073.db2.gz ORQAWTKIHTZNHI-UHFFFAOYSA-N 0 0 325.390 1.010 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000249300403 139190817 /nfs/dbraw/zinc/19/08/17/139190817.db2.gz DJWQSAGDGLXQIH-RFGFWPKPSA-N 0 0 348.399 1.731 10 0 EDAERN CCN(C(=O)[C@H](C)N[C@H](C)c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000249616886 139196632 /nfs/dbraw/zinc/19/66/32/139196632.db2.gz SYHCJTUOFQQBFH-HZSPNIEDSA-N 0 0 342.461 1.663 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CS(=O)(=O)c1ncc(F)cn1 ZINC000095085991 218277420 /nfs/dbraw/zinc/27/74/20/218277420.db2.gz IFPHXHFSVBZPDE-LLVKDONJSA-N 0 0 345.396 1.789 10 0 EDAERN NC(=S)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000008381665 210944541 /nfs/dbraw/zinc/94/45/41/210944541.db2.gz YGDZOMIELBEAAI-UHFFFAOYSA-N 0 0 330.438 1.706 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CCNC[C@@H]3c3cccnc3)c2)n[nH]1 ZINC000261892084 139234610 /nfs/dbraw/zinc/23/46/10/139234610.db2.gz ZVQIRFQPPYGBML-QGZVFWFLSA-N 0 0 348.410 1.962 10 0 EDAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCc3c(N)cccc32)o1 ZINC000261914149 139236492 /nfs/dbraw/zinc/23/64/92/139236492.db2.gz YYYIKMUQWLKPMH-UHFFFAOYSA-N 0 0 349.412 1.705 10 0 EDAERN O=C(c1sccc1OC(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000172759111 296311974 /nfs/dbraw/zinc/31/19/74/296311974.db2.gz YEKUZXNFEATPCD-SNVBAGLBSA-N 0 0 332.372 1.896 10 0 EDAERN Cc1nnc(N2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)s1 ZINC000096066355 218562683 /nfs/dbraw/zinc/56/26/83/218562683.db2.gz PBDPPSZGAWGUGD-FRRDWIJNSA-N 0 0 338.433 1.242 10 0 EDAERN O=S(=O)([N-]CC[C@H]1CCC[NH2+]1)c1c(F)c(F)cc(F)c1F ZINC000262372267 139273936 /nfs/dbraw/zinc/27/39/36/139273936.db2.gz WWGZEQYPSSMRMF-SSDOTTSWSA-N 0 0 326.315 1.663 10 0 EDAERN COC[C@]1(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCC[NH2+]1 ZINC000262538397 139285075 /nfs/dbraw/zinc/28/50/75/139285075.db2.gz QTALMDRJXUIQOB-CYBMUJFWSA-N 0 0 338.351 1.151 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111343523 207585414 /nfs/dbraw/zinc/58/54/14/207585414.db2.gz LLNPOPMGDFNFTI-SNVBAGLBSA-N 0 0 329.403 1.510 10 0 EDAERN COC(=O)CCn1nc(C)c(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c1C ZINC000263090732 139321868 /nfs/dbraw/zinc/32/18/68/139321868.db2.gz UIMTVJCEQPSNKS-AWEZNQCLSA-N 0 0 339.436 1.900 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc(Br)o1 ZINC000168933207 533039141 /nfs/dbraw/zinc/03/91/41/533039141.db2.gz KEDNZMBMGBTKAK-VYODUFISSA-N 0 0 344.161 1.190 10 0 EDAERN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCOCC1 ZINC000007005172 208568392 /nfs/dbraw/zinc/56/83/92/208568392.db2.gz MHQZRDJHKKTSIZ-UHFFFAOYSA-N 0 0 338.385 1.680 10 0 EDAERN Cc1cc(-n2c(C)cc(C(=O)NC[C@H](C)N3CCOCC3)c2C)no1 ZINC000097252846 219003967 /nfs/dbraw/zinc/00/39/67/219003967.db2.gz NSDFTOXYQDQVDX-ZDUSSCGKSA-N 0 0 346.431 1.841 10 0 EDAERN CNc1ncc(Br)cc1C(=O)NC1CCS(=O)CC1 ZINC000159128898 533087760 /nfs/dbraw/zinc/08/77/60/533087760.db2.gz SRHASZHWEODCSC-UHFFFAOYSA-N 0 0 346.250 1.527 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)NC(=O)CS2 ZINC000112663356 220368186 /nfs/dbraw/zinc/36/81/86/220368186.db2.gz SJLXBFXFRKRCPY-JTQLQIEISA-N 0 0 329.385 1.067 10 0 EDAERN C[C@@H](NC(=O)N(C)CC[C@H](C)O)c1ccc(S(C)(=O)=O)cc1 ZINC000178279086 533105274 /nfs/dbraw/zinc/10/52/74/533105274.db2.gz QPPOMVJXTKMYQK-NWDGAFQWSA-N 0 0 328.434 1.563 10 0 EDAERN COc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000112712342 220383425 /nfs/dbraw/zinc/38/34/25/220383425.db2.gz VARYXEBBTMQBSY-GFCCVEGCSA-N 0 0 331.376 1.110 10 0 EDAERN Cc1ccc(OCCCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112747534 220397369 /nfs/dbraw/zinc/39/73/69/220397369.db2.gz DTRSXXCNWSEKHV-CQSZACIVSA-N 0 0 329.404 1.670 10 0 EDAERN CCCOc1ncccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112746296 220394896 /nfs/dbraw/zinc/39/48/96/220394896.db2.gz WIXRJUSGGGDPJB-CYBMUJFWSA-N 0 0 330.392 1.276 10 0 EDAERN C[C@@H](NC(=O)N1CCN(CC(F)(F)C(F)F)CC1)[C@H]1CCCO1 ZINC000114588885 220712139 /nfs/dbraw/zinc/71/21/39/220712139.db2.gz IDQMRNZQYJZOQG-GHMZBOCLSA-N 0 0 341.349 1.782 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)CC2 ZINC000114873155 220772652 /nfs/dbraw/zinc/77/26/52/220772652.db2.gz WXOJKFOBWJLXDB-CQSZACIVSA-N 0 0 341.415 1.287 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(-c4ccco4)[nH]c3=O)C2)cn1 ZINC000116120564 220932202 /nfs/dbraw/zinc/93/22/02/220932202.db2.gz OULATVRLSFQYIZ-GFCCVEGCSA-N 0 0 338.367 1.998 10 0 EDAERN Cc1ccc(OC2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)cc1 ZINC000116955814 221016537 /nfs/dbraw/zinc/01/65/37/221016537.db2.gz IBEJWKXQVIUDMA-SFHVURJKSA-N 0 0 347.459 1.878 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(-n3cncn3)c2)C[C@@H]1C ZINC000117282072 221041863 /nfs/dbraw/zinc/04/18/63/221041863.db2.gz UZQIDNKQIOICIW-HNNXBMFYSA-N 0 0 343.431 1.450 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@H]1C ZINC000117283885 221043994 /nfs/dbraw/zinc/04/39/94/221043994.db2.gz GSVDLICRAVNSPO-CQSZACIVSA-N 0 0 347.459 1.437 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(N3CCCC3)nc2)C[C@@H]1C ZINC000117283758 221044406 /nfs/dbraw/zinc/04/44/06/221044406.db2.gz DOMOPWPSBKPEFP-INIZCTEOSA-N 0 0 346.475 1.865 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(Br)o2)C[C@@H]1C ZINC000117294264 221048205 /nfs/dbraw/zinc/04/82/05/221048205.db2.gz LVIIYDDTVLZKRQ-JTQLQIEISA-N 0 0 331.210 1.835 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)c2)CCN1CCOC ZINC000117526892 221074513 /nfs/dbraw/zinc/07/45/13/221074513.db2.gz CSTPFADCRLKESG-INIZCTEOSA-N 0 0 333.432 1.503 10 0 EDAERN Cc1cnn(CCNC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000117815075 221093154 /nfs/dbraw/zinc/09/31/54/221093154.db2.gz NCNGTWNPVKJSPE-UHFFFAOYSA-N 0 0 342.403 1.306 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2cccc(Cn3cccn3)c2)c1 ZINC000118064034 221110522 /nfs/dbraw/zinc/11/05/22/221110522.db2.gz ZHVTWZNDRONCIN-UHFFFAOYSA-N 0 0 338.415 1.936 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000119448017 221322846 /nfs/dbraw/zinc/32/28/46/221322846.db2.gz KATHHRRFDIGFSC-HNNXBMFYSA-N 0 0 341.415 1.990 10 0 EDAERN COc1ccc(/C=C(\C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000186333143 533226110 /nfs/dbraw/zinc/22/61/10/533226110.db2.gz VTUUTHDOQNYKAV-SVTZGKHISA-N 0 0 330.363 1.960 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(OC)cc1 ZINC000154951128 224333133 /nfs/dbraw/zinc/33/31/33/224333133.db2.gz TZDNDBAGKWDKSE-CQSZACIVSA-N 0 0 330.388 1.627 10 0 EDAERN COC(=O)[C@@H](SC[C@@H](O)CO)c1cccc(Br)c1 ZINC000155251422 224384872 /nfs/dbraw/zinc/38/48/72/224384872.db2.gz DVSBNFVQGQFKKB-QWRGUYRKSA-N 0 0 335.219 1.750 10 0 EDAERN COC(=O)C1CCC(C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000179464410 533277295 /nfs/dbraw/zinc/27/72/95/533277295.db2.gz XMDGRUBHVCXNRH-UHFFFAOYSA-N 0 0 343.387 1.889 10 0 EDAERN COc1ncnc(OC)c1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000171810324 533290032 /nfs/dbraw/zinc/29/00/32/533290032.db2.gz OMVUTFLPZQVPHV-LBPRGKRZSA-N 0 0 345.403 1.821 10 0 EDAERN CO[C@@H]1CCN(c2cnn(Cc3cnc(Cl)s3)c(=O)c2)C1 ZINC000165137240 533423279 /nfs/dbraw/zinc/42/32/79/533423279.db2.gz XQJSPPPDDJWINU-SNVBAGLBSA-N 0 0 326.809 1.627 10 0 EDAERN CN(C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)c1cnn(C)c1)c1cnn(C)c1 ZINC000131063037 288887750 /nfs/dbraw/zinc/88/77/50/288887750.db2.gz MANWSQOIMJTHEK-GASCZTMLSA-N 0 0 344.419 1.196 10 0 EDAERN CCN(CC)C(=O)Nc1ccc2c(c1)OCCN2S(C)(=O)=O ZINC000062572804 132805655 /nfs/dbraw/zinc/80/56/55/132805655.db2.gz LQIWVLKTOHPNSX-UHFFFAOYSA-N 0 0 327.406 1.719 10 0 EDAERN Cc1ccccc1N1C(=O)CN(C(=O)c2cnn3cccnc23)C[C@@H]1C ZINC000011787090 135690923 /nfs/dbraw/zinc/69/09/23/135690923.db2.gz BQVXQZZACIUAAQ-AWEZNQCLSA-N 0 0 349.394 1.915 10 0 EDAERN C[C@]1(n2cc(CN3CCC[C@H]3c3ncc[nH]3)cn2)CCS(=O)(=O)C1 ZINC000328619229 140666510 /nfs/dbraw/zinc/66/65/10/140666510.db2.gz VTYOHFWRRAWNOO-HOCLYGCPSA-N 0 0 349.460 1.477 10 0 EDAERN Cn1c(N[C@@H]2CCN(C3CCOCC3)C2=O)nc2cccc(F)c21 ZINC000333015899 141250346 /nfs/dbraw/zinc/25/03/46/141250346.db2.gz CDWKDHFNXYQMRD-CQSZACIVSA-N 0 0 332.379 1.904 10 0 EDAERN CC[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC(=O)N1 ZINC000333071628 141258851 /nfs/dbraw/zinc/25/88/51/141258851.db2.gz OVZXJJONEOPZCK-BARDWOONSA-N 0 0 335.448 1.199 10 0 EDAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1CC(=O)N(C2CC2)C1 ZINC000333323332 141299092 /nfs/dbraw/zinc/29/90/92/141299092.db2.gz PVQMWSZJDDPRFC-UHFFFAOYSA-N 0 0 329.335 1.807 10 0 EDAERN COCCC(C)(C)CNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000186169051 292280228 /nfs/dbraw/zinc/28/02/28/292280228.db2.gz WPIJSZSSYHZBEN-HNNXBMFYSA-N 0 0 338.452 1.665 10 0 EDAERN COCCN(C(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)[C@H]1CCOC1 ZINC000329141842 161611234 /nfs/dbraw/zinc/61/12/34/161611234.db2.gz UNMWCFPHVKSYPM-OWCLPIDISA-N 0 0 333.432 1.418 10 0 EDAERN CCOc1ccccc1CCNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000069314332 287251254 /nfs/dbraw/zinc/25/12/54/287251254.db2.gz ALYLHQWIGYBLDJ-MRXNPFEDSA-N 0 0 333.432 1.938 10 0 EDAERN Cc1cc(S(=O)(=O)NCC2CC(O)C2)ccc1Br ZINC000091524535 287332384 /nfs/dbraw/zinc/33/23/84/287332384.db2.gz ONHYKLZUESYYCL-UHFFFAOYSA-N 0 0 334.235 1.807 10 0 EDAERN O=C(c1ncn(-c2ccccc2)n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000156614170 224683380 /nfs/dbraw/zinc/68/33/80/224683380.db2.gz JJLSRLJQKSEVCA-HNNXBMFYSA-N 0 0 338.371 1.005 10 0 EDAERN C[C@H]1C[C@H](C)N(S(=O)(=O)c2cc(Br)cnc2N)C1 ZINC000158145291 224958132 /nfs/dbraw/zinc/95/81/32/224958132.db2.gz CTOINTIISFPZRI-YUMQZZPRSA-N 0 0 334.239 1.845 10 0 EDAERN Cc1cnn(-c2ccc(C)cc2NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000158528629 225035474 /nfs/dbraw/zinc/03/54/74/225035474.db2.gz FCZCWLYYPXFZIX-OAHLLOKOSA-N 0 0 343.431 1.941 10 0 EDAERN C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000159099861 225148054 /nfs/dbraw/zinc/14/80/54/225148054.db2.gz IVZPKQXQZFMWTJ-JGVFFNPUSA-N 0 0 335.838 1.847 10 0 EDAERN NC(=O)CC1CCN(C(=O)c2cccc(N)c2Br)CC1 ZINC000158936279 225112279 /nfs/dbraw/zinc/11/22/79/225112279.db2.gz DFHBXGDGGFEFAB-UHFFFAOYSA-N 0 0 340.221 1.759 10 0 EDAERN C[C@H]1OCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000161861205 225705217 /nfs/dbraw/zinc/70/52/17/225705217.db2.gz NUVOZOUWSNIMLE-KCJUWKMLSA-N 0 0 332.809 1.237 10 0 EDAERN O=C(Nc1nnc2n1CCCC2)c1cccc(C(=O)N2CCCC2)n1 ZINC000162598028 225835431 /nfs/dbraw/zinc/83/54/31/225835431.db2.gz QAJJYPBVXPPPSL-UHFFFAOYSA-N 0 0 340.387 1.498 10 0 EDAERN O=C(NC1CC1)[C@@H]1COCCN1c1ccncc1Br ZINC000164085424 226042481 /nfs/dbraw/zinc/04/24/81/226042481.db2.gz GMVBDPBJVHBJJA-LBPRGKRZSA-N 0 0 326.194 1.328 10 0 EDAERN NS(=O)(=O)c1cc(Cl)cc(C(=O)NCCc2ccco2)c1 ZINC000165386754 226122675 /nfs/dbraw/zinc/12/26/75/226122675.db2.gz IQCWHJAPKBWWTM-UHFFFAOYSA-N 0 0 328.777 1.553 10 0 EDAERN O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)N1CCC(=O)CC1 ZINC000166509375 226160861 /nfs/dbraw/zinc/16/08/61/226160861.db2.gz SYCBBFMNZYXKIF-UHFFFAOYSA-N 0 0 329.805 1.446 10 0 EDAERN C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166660616 226164168 /nfs/dbraw/zinc/16/41/68/226164168.db2.gz PQZVIBIWRJUENA-CPCISQLKSA-N 0 0 327.178 1.941 10 0 EDAERN Cc1ccc(/C=C/C(=O)N2CCO[C@@H](CO)C2)c(Br)c1 ZINC000167546565 226193934 /nfs/dbraw/zinc/19/39/34/226193934.db2.gz NSPITQLNDZNLIS-MUBLQREKSA-N 0 0 340.217 1.990 10 0 EDAERN COc1cc(Br)ccc1C(=O)N1CCOC[C@H]1CO ZINC000168174367 226209837 /nfs/dbraw/zinc/20/98/37/226209837.db2.gz BNHONYYJVUXASG-SNVBAGLBSA-N 0 0 330.178 1.291 10 0 EDAERN Cn1cnnc1CCNc1cccc(Br)c1C(N)=S ZINC000168743010 226221255 /nfs/dbraw/zinc/22/12/55/226221255.db2.gz BTCZKCFXRWCDSG-UHFFFAOYSA-N 0 0 340.250 1.866 10 0 EDAERN COC[C@@H](C)C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000171454770 227088516 /nfs/dbraw/zinc/08/85/16/227088516.db2.gz QSYGBWRKSOMRQI-CQSZACIVSA-N 0 0 343.427 1.664 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H](CO)c1ccccc1)c1nnc2n1CCCC2 ZINC000121300203 221808821 /nfs/dbraw/zinc/80/88/21/221808821.db2.gz CPVCNWKSNSGUDH-HIFRSBDPSA-N 0 0 343.431 1.751 10 0 EDAERN O=S(=O)(c1ccccc1F)N1CCC(Nc2cccnn2)CC1 ZINC000122211282 222037113 /nfs/dbraw/zinc/03/71/13/222037113.db2.gz YECMYPCXOYQXJU-UHFFFAOYSA-N 0 0 336.392 1.881 10 0 EDAERN CCn1cc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)cn1 ZINC000122682654 222137732 /nfs/dbraw/zinc/13/77/32/222137732.db2.gz BYOLFKOKLJOIDO-GOSISDBHSA-N 0 0 344.459 1.461 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000123355509 222262142 /nfs/dbraw/zinc/26/21/42/222262142.db2.gz TUIYHSSADQLFJP-XCBNKYQSSA-N 0 0 325.166 1.820 10 0 EDAERN Cc1cc(C[C@H](C)NC(=O)[C@H]2CNC(=O)C2)n(-c2ccccc2)n1 ZINC000153010103 287619885 /nfs/dbraw/zinc/61/98/85/287619885.db2.gz RMABRCLBDJKUFG-GXTWGEPZSA-N 0 0 326.400 1.364 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)C1 ZINC000190064975 272972861 /nfs/dbraw/zinc/97/28/61/272972861.db2.gz CPYWDYZCBJYXRJ-ZDUSSCGKSA-N 0 0 348.447 1.925 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCC(=O)N(C)C ZINC000193505198 272994805 /nfs/dbraw/zinc/99/48/05/272994805.db2.gz RLKLLNMSZZPBFJ-YOEHRIQHSA-N 0 0 347.459 1.816 10 0 EDAERN COCCN1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000194619042 273004229 /nfs/dbraw/zinc/00/42/29/273004229.db2.gz JXIDGPPRRYXODQ-KRWDZBQOSA-N 0 0 342.867 1.482 10 0 EDAERN CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H]1CNC(=O)C1)CC2 ZINC000194779998 273006150 /nfs/dbraw/zinc/00/61/50/273006150.db2.gz YOVQTEFRBDKZOP-ZDUSSCGKSA-N 0 0 332.400 1.505 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCC(C)(C)CO)C1 ZINC000086404742 267421751 /nfs/dbraw/zinc/42/17/51/267421751.db2.gz ATWOJKJOQFGYJG-CQSZACIVSA-N 0 0 327.469 1.875 10 0 EDAERN CCN(CCNC(=O)N[C@@H](C(=O)NC)C(C)C)c1ccccc1C ZINC000178415889 267559704 /nfs/dbraw/zinc/55/97/04/267559704.db2.gz SOJPFADVLAJVRG-MRXNPFEDSA-N 0 0 334.464 1.891 10 0 EDAERN CC(C)c1ccc([C@@H](C)NC(=O)NCCNS(C)(=O)=O)cc1 ZINC000045652111 272911689 /nfs/dbraw/zinc/91/16/89/272911689.db2.gz CJVXVVGRGKZDSB-GFCCVEGCSA-N 0 0 327.450 1.719 10 0 EDAERN CCN1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000174616610 272935817 /nfs/dbraw/zinc/93/58/17/272935817.db2.gz RAJGHANKTBJJPX-KGLIPLIRSA-N 0 0 325.453 1.844 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000255914642 287853543 /nfs/dbraw/zinc/85/35/43/287853543.db2.gz IFTDMNXPLQRHIX-SCXUMTSISA-N 0 0 326.356 1.980 10 0 EDAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)nn1 ZINC000121855886 277128462 /nfs/dbraw/zinc/12/84/62/277128462.db2.gz OCAQUZUUZWXASD-FZKQIMNGSA-N 0 0 348.447 1.661 10 0 EDAERN CC(=O)NCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171796019 278102136 /nfs/dbraw/zinc/10/21/36/278102136.db2.gz SHLOMNGNXKTULE-RDJZCZTQSA-N 0 0 331.416 1.239 10 0 EDAERN C[C@H]1CN(C(=O)NCc2cccnc2N(C)C)C[C@H]1N1CCOCC1 ZINC000175667867 279798028 /nfs/dbraw/zinc/79/80/28/279798028.db2.gz LYLJCDATLOHMDD-GOEBONIOSA-N 0 0 347.463 1.010 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@@H]1N1CCOCC1 ZINC000176994054 297065689 /nfs/dbraw/zinc/06/56/89/297065689.db2.gz JEWOWSWXBLPCRQ-OCCSQVGLSA-N 0 0 328.409 1.167 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000245689977 303307043 /nfs/dbraw/zinc/30/70/43/303307043.db2.gz ARCYHNUHMRYGIU-AVGNSLFASA-N 0 0 343.210 1.810 10 0 EDAERN CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1 ZINC000097942237 441146299 /nfs/dbraw/zinc/14/62/99/441146299.db2.gz VWYGFHQBRBMNEN-DRZSPHRISA-N 0 0 328.821 1.492 10 0 EDAERN O=C(Nc1ccccc1F)N1CCN(c2ccc3nncn3n2)CC1 ZINC000013700280 441165159 /nfs/dbraw/zinc/16/51/59/441165159.db2.gz FCLKZZGFCJZOOA-UHFFFAOYSA-N 0 0 341.350 1.618 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000104799983 441212203 /nfs/dbraw/zinc/21/22/03/441212203.db2.gz MJSKNDDLXRUFPR-KRWDZBQOSA-N 0 0 345.443 1.622 10 0 EDAERN COC(=O)C[C@@H](NC(=O)CCNC(=O)c1ccco1)c1ccccc1 ZINC000016139209 441216253 /nfs/dbraw/zinc/21/62/53/441216253.db2.gz LNZGBQIHVKPCGP-CQSZACIVSA-N 0 0 344.367 1.820 10 0 EDAERN O=C(Nc1nnc(C2CC2)s1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000105043499 441229107 /nfs/dbraw/zinc/22/91/07/441229107.db2.gz QBGCAHLHRFJFMW-LBPRGKRZSA-N 0 0 341.400 1.825 10 0 EDAERN CCc1noc([C@H](C)N2CCN(Cc3cn4cccnc4n3)CC2)n1 ZINC000105865241 441295248 /nfs/dbraw/zinc/29/52/48/441295248.db2.gz FSOHNSLWWMEMQT-ZDUSSCGKSA-N 0 0 341.419 1.554 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1ccc(Cl)cn1 ZINC000105798985 441272905 /nfs/dbraw/zinc/27/29/05/441272905.db2.gz AYHRJFYWHMCEQG-UHFFFAOYSA-N 0 0 346.822 1.676 10 0 EDAERN c1coc(-c2noc(CN3CCCN(c4cccnn4)CC3)n2)c1 ZINC000105799679 441273861 /nfs/dbraw/zinc/27/38/61/441273861.db2.gz NSNWCZPKDBRONZ-UHFFFAOYSA-N 0 0 326.360 1.832 10 0 EDAERN CC(C)c1nnc(CN(C)[C@H]2CCCN(c3cccnn3)C2)n1C ZINC000105804242 441274380 /nfs/dbraw/zinc/27/43/80/441274380.db2.gz FAHOOIZGELYZNH-AWEZNQCLSA-N 0 0 329.452 1.829 10 0 EDAERN Cc1noc(C)c1CC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105815990 441276709 /nfs/dbraw/zinc/27/67/09/441276709.db2.gz ZXPWIKVRBSPPQQ-UHFFFAOYSA-N 0 0 329.404 1.751 10 0 EDAERN CCCS(=O)(=O)CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820601 441279224 /nfs/dbraw/zinc/27/92/24/441279224.db2.gz HFVRVXRVELYURO-QGZVFWFLSA-N 0 0 340.489 1.162 10 0 EDAERN COCCN1C[C@H](C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)CC1=O ZINC000105848971 441291839 /nfs/dbraw/zinc/29/18/39/441291839.db2.gz NGZCXYJUFMTJDD-HUUCEWRRSA-N 0 0 348.447 1.195 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)CC1 ZINC000106395226 441338496 /nfs/dbraw/zinc/33/84/96/441338496.db2.gz AXHYVLHTUCQYMX-BEFAXECRSA-N 0 0 346.427 1.073 10 0 EDAERN CCn1ccnc1CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O ZINC000106436845 441342920 /nfs/dbraw/zinc/34/29/20/441342920.db2.gz FFLLUHJKSNMDKK-GOSISDBHSA-N 0 0 342.399 1.965 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccc(C)cc3O)CC2)n1 ZINC000105871118 441301523 /nfs/dbraw/zinc/30/15/23/441301523.db2.gz VQPKUJKZGOGZQI-UHFFFAOYSA-N 0 0 342.399 1.852 10 0 EDAERN Cn1c(CN2CCO[C@@H](Cn3cccn3)C2)nc2ccccc2c1=O ZINC000105889642 441309366 /nfs/dbraw/zinc/30/93/66/441309366.db2.gz LGHRTXIEKUKVJA-CQSZACIVSA-N 0 0 339.399 1.031 10 0 EDAERN CCC(CC)NC(=O)[C@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893584 441311007 /nfs/dbraw/zinc/31/10/07/441311007.db2.gz JTNLWDBMBYYQID-RDJZCZTQSA-N 0 0 336.480 1.894 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(Br)c1 ZINC000063092341 441312081 /nfs/dbraw/zinc/31/20/81/441312081.db2.gz QNDVWSQVRXIMGH-BDAKNGLRSA-N 0 0 349.250 1.564 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NCCc2cccs2)C[C@H]1C ZINC000105913893 441315343 /nfs/dbraw/zinc/31/53/43/441315343.db2.gz KGZKZCULIFNDBC-CABCVRRESA-N 0 0 339.505 1.448 10 0 EDAERN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926576 441317338 /nfs/dbraw/zinc/31/73/38/441317338.db2.gz DPIXTFWAOLIDKG-JFIYKMOQSA-N 0 0 333.476 1.557 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000083561729 441363456 /nfs/dbraw/zinc/36/34/56/441363456.db2.gz CZAXZORHCGKPOJ-CYBMUJFWSA-N 0 0 328.376 1.650 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(F)ccc1C ZINC000083755021 441375281 /nfs/dbraw/zinc/37/52/81/441375281.db2.gz GSLXOFHUWMWUSW-LBPRGKRZSA-N 0 0 331.351 1.624 10 0 EDAERN CC(=O)Nc1ccc([S@](=O)c2ccc(S(N)(=O)=O)s2)cc1 ZINC000028021039 441423371 /nfs/dbraw/zinc/42/33/71/441423371.db2.gz CHVGOTKICJIYDC-HXUWFJFHSA-N 0 0 344.439 1.521 10 0 EDAERN COc1cccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)n1 ZINC000085436229 441440089 /nfs/dbraw/zinc/44/00/89/441440089.db2.gz VFYHQDLJAPUZAC-MRXNPFEDSA-N 0 0 346.431 1.191 10 0 EDAERN O=C(CCN1CCO[C@@H](Cn2cccn2)C1)NCC1CCCCC1 ZINC000109005723 441484259 /nfs/dbraw/zinc/48/42/59/441484259.db2.gz GSEUTMNARSDKPP-QGZVFWFLSA-N 0 0 334.464 1.671 10 0 EDAERN COc1cc(C(=O)N[C@H](C)c2ccc(C)o2)sc1S(N)(=O)=O ZINC000088577677 441513273 /nfs/dbraw/zinc/51/32/73/441513273.db2.gz OVPSRYZJQFBBAG-MRVPVSSYSA-N 0 0 344.414 1.797 10 0 EDAERN CC[C@](C)(O)CNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000075226151 441511023 /nfs/dbraw/zinc/51/10/23/441511023.db2.gz JYTRDIWXQRBTNW-QAPCUYQASA-N 0 0 336.432 1.727 10 0 EDAERN C[C@@H](c1nc(-c2cccnc2)no1)N1CCO[C@H](Cn2cccn2)C1 ZINC000112981358 441574310 /nfs/dbraw/zinc/57/43/10/441574310.db2.gz OHTQZTRHFSUWMP-ZFWWWQNUSA-N 0 0 340.387 1.790 10 0 EDAERN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3C(=O)N(C)C)CC2=O)cc1 ZINC000054451816 441578226 /nfs/dbraw/zinc/57/82/26/441578226.db2.gz YIUUPAUCLCEOOG-GDBMZVCRSA-N 0 0 343.427 1.427 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113229136 441590948 /nfs/dbraw/zinc/59/09/48/441590948.db2.gz KUQVCSSGOBUDOM-UONOGXRCSA-N 0 0 336.457 1.789 10 0 EDAERN CCOc1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1Br ZINC000033855505 441597469 /nfs/dbraw/zinc/59/74/69/441597469.db2.gz DLQHGSNVXLVVDD-UHFFFAOYSA-N 0 0 343.152 1.885 10 0 EDAERN CCOC(=O)C1=CNC(=O)N[C@H]1c1cc(Br)ccc1O ZINC000034364928 441599360 /nfs/dbraw/zinc/59/93/60/441599360.db2.gz FULBXWYREHFKHC-NSHDSACASA-N 0 0 341.161 1.956 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCC(=O)OC ZINC000036620077 441607185 /nfs/dbraw/zinc/60/71/85/441607185.db2.gz IZZQTKMSMOOXQU-BBRMVZONSA-N 0 0 334.416 1.901 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113629536 441620423 /nfs/dbraw/zinc/62/04/23/441620423.db2.gz VSKALBYVHREXHT-OAHLLOKOSA-N 0 0 332.404 1.325 10 0 EDAERN O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](n2cncn2)C1 ZINC000114209763 441641645 /nfs/dbraw/zinc/64/16/45/441641645.db2.gz PICXGCGOMRNEEL-LLVKDONJSA-N 0 0 326.809 1.957 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1COc3ccccc31)CC2 ZINC000114948269 441701697 /nfs/dbraw/zinc/70/16/97/441701697.db2.gz RRLNTENKQQQBBL-DGCLKSJQSA-N 0 0 327.388 1.588 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000114695349 441675691 /nfs/dbraw/zinc/67/56/91/441675691.db2.gz AZKZEFRMOBRPBY-MRVPVSSYSA-N 0 0 337.767 1.106 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C(C)C)n[nH]2)ncn1 ZINC000173436171 441751172 /nfs/dbraw/zinc/75/11/72/441751172.db2.gz KBRKNIQIHUWZNS-GFCCVEGCSA-N 0 0 343.435 1.764 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(COC)o2)ncn1 ZINC000173444825 441752674 /nfs/dbraw/zinc/75/26/74/441752674.db2.gz JORMEKTYYWYOJL-GFCCVEGCSA-N 0 0 345.403 1.657 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)N[C@H](C)c3cccnc3)CC2)no1 ZINC000173479850 441764261 /nfs/dbraw/zinc/76/42/61/441764261.db2.gz FCPQKZBEQBULGS-CYBMUJFWSA-N 0 0 344.419 1.752 10 0 EDAERN CCOc1ccc(OCCNC(=O)CN2[C@@H](C)COC[C@@H]2C)cc1 ZINC000077368116 441764524 /nfs/dbraw/zinc/76/45/24/441764524.db2.gz UFXDKJCJAXLRAQ-GJZGRUSLSA-N 0 0 336.432 1.690 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NCc3ccccc3)CCO2)[nH]1 ZINC000173352919 441722178 /nfs/dbraw/zinc/72/21/78/441722178.db2.gz KZDOIXSENTXUBT-WFASDCNBSA-N 0 0 329.404 1.191 10 0 EDAERN CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077148296 441723985 /nfs/dbraw/zinc/72/39/85/441723985.db2.gz VNTXHKUAEYCJBA-WFASDCNBSA-N 0 0 340.445 1.184 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000158354011 441728288 /nfs/dbraw/zinc/72/82/88/441728288.db2.gz VSLDFJMDWRQRCK-YNEHKIRRSA-N 0 0 337.370 1.988 10 0 EDAERN O=C(CCC(=O)N1CCCC[C@H]1c1nccs1)N1CCOCC1 ZINC000115365146 441729941 /nfs/dbraw/zinc/72/99/41/441729941.db2.gz DHENQWHIJWIRGS-ZDUSSCGKSA-N 0 0 337.445 1.836 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173663190 441817822 /nfs/dbraw/zinc/81/78/22/441817822.db2.gz QLEPLVCHOMIKMR-ZDUSSCGKSA-N 0 0 335.795 1.779 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)CCO2)[nH]1 ZINC000173523049 441776251 /nfs/dbraw/zinc/77/62/51/441776251.db2.gz GIZKBIFJSMBFEZ-HNNXBMFYSA-N 0 0 325.372 1.737 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCCCCOC)CCO2)[nH]1 ZINC000137999166 441783057 /nfs/dbraw/zinc/78/30/57/441783057.db2.gz CWSICYWQNUBWTE-GFCCVEGCSA-N 0 0 325.413 1.267 10 0 EDAERN COC(=O)C[C@@H](NC(=O)Nc1cccn(C)c1=O)c1ccccc1 ZINC000173539608 441783372 /nfs/dbraw/zinc/78/33/72/441783372.db2.gz NJAOHRMUABTVLC-CQSZACIVSA-N 0 0 329.356 1.811 10 0 EDAERN COCCOCCNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000042779395 441786398 /nfs/dbraw/zinc/78/63/98/441786398.db2.gz CMRIQMKBMBYCHD-ZDUSSCGKSA-N 0 0 330.425 1.413 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000042809684 441789098 /nfs/dbraw/zinc/78/90/98/441789098.db2.gz JYTKZXDSXUTBTR-GFCCVEGCSA-N 0 0 327.375 1.999 10 0 EDAERN CCn1cc(C2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)cn1 ZINC000159149169 441791355 /nfs/dbraw/zinc/79/13/55/441791355.db2.gz VOJFIWRLPBSKCB-MRXNPFEDSA-N 0 0 335.452 1.123 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)Cc3cc4ccccc4[nH]c3=O)C2)cn1 ZINC000116229022 441803358 /nfs/dbraw/zinc/80/33/58/441803358.db2.gz JHDBXBSSAHJSMC-CQSZACIVSA-N 0 0 336.395 1.820 10 0 EDAERN C[C@@H]1CN(C(=O)CSC[C@@H]2CCCCO2)C[C@H]1N1CCOCC1 ZINC000173889926 441857745 /nfs/dbraw/zinc/85/77/45/441857745.db2.gz BSXZUOCYBKZBDE-OWCLPIDISA-N 0 0 342.505 1.468 10 0 EDAERN C[C@H](O)c1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173907097 441860834 /nfs/dbraw/zinc/86/08/34/441860834.db2.gz AXKKEZDPLXHLIP-WMLDXEAASA-N 0 0 333.432 1.356 10 0 EDAERN O=S(=O)([N-]c1ccccc1OC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000142354436 441862551 /nfs/dbraw/zinc/86/25/51/441862551.db2.gz GIBDDGLXRWIWKC-CYBMUJFWSA-N 0 0 333.413 1.871 10 0 EDAERN Nc1nn2cccnc2c1-c1cc(Cl)nc(N2CCOCC2)n1 ZINC000117028989 441862928 /nfs/dbraw/zinc/86/29/28/441862928.db2.gz CZUIIOMNFBDJTB-UHFFFAOYSA-N 0 0 331.767 1.259 10 0 EDAERN O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173934265 441865820 /nfs/dbraw/zinc/86/58/20/441865820.db2.gz YTCXUMDFEYIXKP-IRXDYDNUSA-N 0 0 338.423 1.110 10 0 EDAERN CC(C)N(C(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173947738 441867278 /nfs/dbraw/zinc/86/72/78/441867278.db2.gz UPRKDQDJAJARRB-SFHVURJKSA-N 0 0 331.460 1.835 10 0 EDAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116466379 441824678 /nfs/dbraw/zinc/82/46/78/441824678.db2.gz IJLRGLVGPPNBCC-HNNXBMFYSA-N 0 0 340.427 1.783 10 0 EDAERN Cc1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1C(N)=O ZINC000116496972 441825923 /nfs/dbraw/zinc/82/59/23/441825923.db2.gz QGULYYBWJSWYQS-LBPRGKRZSA-N 0 0 327.388 1.849 10 0 EDAERN Cc1ccc(CN(C(=O)CN2CCO[C@@H](C[NH+](C)C)C2)C2CC2)o1 ZINC000173701556 441826955 /nfs/dbraw/zinc/82/69/55/441826955.db2.gz PHBFHTMDOSAROE-KRWDZBQOSA-N 0 0 335.448 1.341 10 0 EDAERN O=C(NCCc1nc2ccccc2[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000173768007 441838260 /nfs/dbraw/zinc/83/82/60/441838260.db2.gz DICFAZIXPOYEFR-AWEZNQCLSA-N 0 0 343.431 1.222 10 0 EDAERN Cc1cnn(CCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000173809870 441843156 /nfs/dbraw/zinc/84/31/56/441843156.db2.gz FQNIXKWXGLTVDO-UHFFFAOYSA-N 0 0 340.427 1.860 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)n1 ZINC000116782410 441843480 /nfs/dbraw/zinc/84/34/80/441843480.db2.gz ZZDRVGFTXOBRMI-MRXNPFEDSA-N 0 0 344.463 1.727 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)n1 ZINC000116781257 441843924 /nfs/dbraw/zinc/84/39/24/441843924.db2.gz IBFPMPBZMZLSQD-CYBMUJFWSA-N 0 0 339.403 1.719 10 0 EDAERN CCC[C@@H](C)CS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173825887 441847025 /nfs/dbraw/zinc/84/70/25/441847025.db2.gz HXRMIPDZOCLONK-CYBMUJFWSA-N 0 0 344.481 1.652 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173856780 441851332 /nfs/dbraw/zinc/85/13/32/441851332.db2.gz MPKMUCQDCKBQLW-HZPDHXFCSA-N 0 0 339.480 1.204 10 0 EDAERN CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccnc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000124294748 441915276 /nfs/dbraw/zinc/91/52/76/441915276.db2.gz MHSCUTVLUUQGOA-WFASDCNBSA-N 0 0 333.436 1.634 10 0 EDAERN CC(=O)NC1CCN(C(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000174132884 441891850 /nfs/dbraw/zinc/89/18/50/441891850.db2.gz QTEUKUSUVRPKON-AWEZNQCLSA-N 0 0 333.432 1.902 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000150713610 441934298 /nfs/dbraw/zinc/93/42/98/441934298.db2.gz JVHHYHYKPIXXON-GFCCVEGCSA-N 0 0 344.419 1.066 10 0 EDAERN CC[C@@H](O)CCNC(=O)C1CCC(C(=O)NCC[C@@H](O)CC)CC1 ZINC000124540348 441935826 /nfs/dbraw/zinc/93/58/26/441935826.db2.gz VIUIIRSJZYEFKK-STONLHKKSA-N 0 0 342.480 1.347 10 0 EDAERN Cc1cc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n2ncnc2n1 ZINC000078518554 441940940 /nfs/dbraw/zinc/94/09/40/441940940.db2.gz MUTAUHIVMJFPAY-SNVBAGLBSA-N 0 0 342.325 1.328 10 0 EDAERN CC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc32)CC1 ZINC000095588464 441953698 /nfs/dbraw/zinc/95/36/98/441953698.db2.gz KHHINHQHUHGNAF-UHFFFAOYSA-N 0 0 347.444 1.533 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)CN2CSCC2=O)C12CCCC2 ZINC000150814765 441955485 /nfs/dbraw/zinc/95/54/85/441955485.db2.gz UYASUMYCVWCAFY-CHWSQXEVSA-N 0 0 326.462 1.716 10 0 EDAERN CCc1cc(=O)[nH]c(CN2CCC(N(C)c3cccnn3)CC2)n1 ZINC000120002701 441992336 /nfs/dbraw/zinc/99/23/36/441992336.db2.gz LKJJGIOBDSHSIO-UHFFFAOYSA-N 0 0 328.420 1.635 10 0 EDAERN C[C@H](CNC(=O)N[C@@H](C)COCc1ccccc1)N1CCOCC1 ZINC000175004647 441994048 /nfs/dbraw/zinc/99/40/48/441994048.db2.gz FJBVZFXWCYHXSX-JKSUJKDBSA-N 0 0 335.448 1.612 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc2onc(C)c2c1 ZINC000151106231 442006361 /nfs/dbraw/zinc/00/63/61/442006361.db2.gz KYPVFIHXDTYAEG-LBPRGKRZSA-N 0 0 326.360 1.950 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)C[C@H]1CCCOC1)CC2 ZINC000161567986 442012467 /nfs/dbraw/zinc/01/24/67/442012467.db2.gz UIIRIJVXJCSIBL-KGLIPLIRSA-N 0 0 335.452 1.784 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000161566038 442012797 /nfs/dbraw/zinc/01/27/97/442012797.db2.gz XWVJHVGBRXTXKU-OLZOCXBDSA-N 0 0 334.420 1.571 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N(C)[C@H](C)C(=O)OC(C)C)C(C)C ZINC000162442586 442094254 /nfs/dbraw/zinc/09/42/54/442094254.db2.gz ULUSODRZKYZXNG-UKRRQHHQSA-N 0 0 328.453 1.972 10 0 EDAERN O[C@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccc(F)cc1 ZINC000069814744 442047523 /nfs/dbraw/zinc/04/75/23/442047523.db2.gz NRFYXGJLTQNVBN-OAHLLOKOSA-N 0 0 342.378 1.119 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000069852091 442057390 /nfs/dbraw/zinc/05/73/90/442057390.db2.gz OMGAYUJXXCJSDN-CQSZACIVSA-N 0 0 330.363 1.752 10 0 EDAERN CC(C)C1(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000120463860 442077144 /nfs/dbraw/zinc/07/71/44/442077144.db2.gz VFOQMEUQJSYLAF-LBPRGKRZSA-N 0 0 349.456 1.666 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc2c(c1)NC(=O)CCS2 ZINC000175713173 442110043 /nfs/dbraw/zinc/11/00/43/442110043.db2.gz QJYLWOBRTVJYAM-NSHDSACASA-N 0 0 343.412 1.977 10 0 EDAERN O=C(NCc1ccccc1OCC1CC1)N[C@@H]1CCc2ncnn2C1 ZINC000120668768 442114924 /nfs/dbraw/zinc/11/49/24/442114924.db2.gz WZSWPOWALVTREW-OAHLLOKOSA-N 0 0 341.415 1.881 10 0 EDAERN C[C@H]1CN(C(=O)NCc2cc(F)ccc2F)C[C@@H]1N1CCOCC1 ZINC000175762584 442117563 /nfs/dbraw/zinc/11/75/63/442117563.db2.gz GRRPXUSIWXTRPY-LRDDRELGSA-N 0 0 339.386 1.827 10 0 EDAERN CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175823729 442129911 /nfs/dbraw/zinc/12/99/11/442129911.db2.gz IDVNELFZNDDNAW-CQSZACIVSA-N 0 0 343.387 1.058 10 0 EDAERN CCSCC[C@H](C)NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175831570 442131793 /nfs/dbraw/zinc/13/17/93/442131793.db2.gz DHDSHVOTWDRLHI-QLFBSQMISA-N 0 0 329.510 1.880 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3cnn(-c4ccc(F)cc4)n3)C2)cn1 ZINC000120881274 442146596 /nfs/dbraw/zinc/14/65/96/442146596.db2.gz MZERYJWSLGDVQC-GFCCVEGCSA-N 0 0 340.362 1.770 10 0 EDAERN COc1cc(C)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1OC ZINC000120891007 442148448 /nfs/dbraw/zinc/14/84/48/442148448.db2.gz SVNNTSUSJFKDHN-CQSZACIVSA-N 0 0 334.416 1.559 10 0 EDAERN C[C@H]1CN(C(=O)NCc2ccc(Cl)nc2)C[C@H]1N1CCOCC1 ZINC000175695627 442106915 /nfs/dbraw/zinc/10/69/15/442106915.db2.gz IQNHAACJBFEQNS-GXTWGEPZSA-N 0 0 338.839 1.597 10 0 EDAERN Cc1c(NC(=O)C(=O)N2CCC[C@H]2CO)cccc1C(F)(F)F ZINC000121031166 442167917 /nfs/dbraw/zinc/16/79/17/442167917.db2.gz UCFKRYYHNMBELT-JTQLQIEISA-N 0 0 330.306 1.936 10 0 EDAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176132900 442180874 /nfs/dbraw/zinc/18/08/74/442180874.db2.gz SADMOPVEAFKUPN-RYUDHWBXSA-N 0 0 337.424 1.923 10 0 EDAERN O=C(CNC(=O)c1cccs1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127208420 442181233 /nfs/dbraw/zinc/18/12/33/442181233.db2.gz SDZKQNCIYDVYCQ-LBPRGKRZSA-N 0 0 333.417 1.008 10 0 EDAERN CC(C)(C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H]1CO1 ZINC000164148012 442191844 /nfs/dbraw/zinc/19/18/44/442191844.db2.gz LFCOBRWBXLYQBJ-OLZOCXBDSA-N 0 0 341.452 1.221 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](O)c1cccc(OC)c1)CC2 ZINC000164237211 442193481 /nfs/dbraw/zinc/19/34/81/442193481.db2.gz XTLDZGRKADLEPP-LRDDRELGSA-N 0 0 330.388 1.014 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000121266271 442197643 /nfs/dbraw/zinc/19/76/43/442197643.db2.gz HEHDFRRWDDCIIC-NSHDSACASA-N 0 0 341.770 1.545 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnc3ccccc3c2)C1 ZINC000121281929 442199436 /nfs/dbraw/zinc/19/94/36/442199436.db2.gz HSOJMJHIIBNWDN-CQSZACIVSA-N 0 0 340.383 1.300 10 0 EDAERN COCCc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)n(C)n1 ZINC000126934955 442154996 /nfs/dbraw/zinc/15/49/96/442154996.db2.gz FBWAUCIJOPMZGY-CYBMUJFWSA-N 0 0 346.387 1.504 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@H]1C ZINC000152050778 442158529 /nfs/dbraw/zinc/15/85/29/442158529.db2.gz LKZNSQQLGDWOBX-DYVFJYSZSA-N 0 0 336.407 1.698 10 0 EDAERN CC(C)NC(=O)c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000163354951 442160025 /nfs/dbraw/zinc/16/00/25/442160025.db2.gz PXFDRRFITYWPDY-MRXNPFEDSA-N 0 0 341.415 1.894 10 0 EDAERN O=C(NC(C1CC1)C1CC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000152067831 442161320 /nfs/dbraw/zinc/16/13/20/442161320.db2.gz FLCIVFDGMRSBOJ-UHFFFAOYSA-N 0 0 341.419 1.145 10 0 EDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@H]1CO ZINC000121001030 442164491 /nfs/dbraw/zinc/16/44/91/442164491.db2.gz NFUDJELHCRFPKL-VIFPVBQESA-N 0 0 345.168 1.510 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176745302 442252269 /nfs/dbraw/zinc/25/22/69/442252269.db2.gz FTEBMAXVNCEUMB-ZDUSSCGKSA-N 0 0 335.389 1.050 10 0 EDAERN COc1c(C)cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1C ZINC000176748225 442252972 /nfs/dbraw/zinc/25/29/72/442252972.db2.gz AHIWLQPXYJKYAS-ZDUSSCGKSA-N 0 0 336.417 1.717 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000176351900 442212978 /nfs/dbraw/zinc/21/29/78/442212978.db2.gz MZQZGPNWNZXUMZ-OAHLLOKOSA-N 0 0 348.447 1.889 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c(CC)nn(C)c1Cl)CC2 ZINC000152494261 442219792 /nfs/dbraw/zinc/21/97/92/442219792.db2.gz UEVHWERTUKIMEH-VIFPVBQESA-N 0 0 336.827 1.535 10 0 EDAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H](Oc2cccnc2)C1 ZINC000152505106 442220239 /nfs/dbraw/zinc/22/02/39/442220239.db2.gz MNLDBLGVELPZEV-OCCSQVGLSA-N 0 0 334.420 1.548 10 0 EDAERN O=C(Nc1ccc2scnc2c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000176656546 442244440 /nfs/dbraw/zinc/24/44/40/442244440.db2.gz UNQNTPLKIZMAPI-PWSUYJOCSA-N 0 0 333.413 1.902 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)[S@@](=O)Cc1nccn1C(C)C ZINC000176878226 442265847 /nfs/dbraw/zinc/26/58/47/442265847.db2.gz LENQUESRIHSBNC-DMZKTXOQSA-N 0 0 329.466 1.644 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCC(=O)NC ZINC000170797953 442265889 /nfs/dbraw/zinc/26/58/89/442265889.db2.gz ULDBOQSIASAJGN-CZUORRHYSA-N 0 0 333.432 1.426 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000170807225 442266960 /nfs/dbraw/zinc/26/69/60/442266960.db2.gz FAEGTZIDVSWYDR-CABZTGNLSA-N 0 0 340.221 1.887 10 0 EDAERN CCn1c(C)nnc1CN1CCN(Cc2ccccc2OC)CC1 ZINC000170817343 442268617 /nfs/dbraw/zinc/26/86/17/442268617.db2.gz RKTKWDQPYLYONX-UHFFFAOYSA-N 0 0 329.448 1.933 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nccn3C)c2)C[C@H](C)O1 ZINC000176954980 442277428 /nfs/dbraw/zinc/27/74/28/442277428.db2.gz KUVRRMQVHAKPLH-STQMWFEESA-N 0 0 342.399 1.661 10 0 EDAERN CCCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176982697 442280238 /nfs/dbraw/zinc/28/02/38/442280238.db2.gz UTIZQZDDRJQHMS-ZIAGYGMSSA-N 0 0 327.494 1.631 10 0 EDAERN C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCO1 ZINC000128697633 442282693 /nfs/dbraw/zinc/28/26/93/442282693.db2.gz VZLSRNHLYAVHPX-ZWNOBZJWSA-N 0 0 347.383 1.909 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)c1nnc2n1CCCC2 ZINC000153438403 442282747 /nfs/dbraw/zinc/28/27/47/442282747.db2.gz GEZLYRQSVQLDHN-NEPJUHHUSA-N 0 0 348.451 1.374 10 0 EDAERN COc1cc(F)ccc1NC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000176998620 442283104 /nfs/dbraw/zinc/28/31/04/442283104.db2.gz HESPIZIYZUUFCZ-ZDUSSCGKSA-N 0 0 335.339 1.866 10 0 EDAERN CCn1c(CCNC(=O)NC[C@H]2CN(C)CCO2)nc2ccccc21 ZINC000170923491 442289468 /nfs/dbraw/zinc/28/94/68/442289468.db2.gz HZFLRCXAMFVMAH-AWEZNQCLSA-N 0 0 345.447 1.229 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000128962662 442296596 /nfs/dbraw/zinc/29/65/96/442296596.db2.gz FIAHLNPANSCZSA-AWEZNQCLSA-N 0 0 349.479 1.161 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(Cc2ncnn2C)CC1 ZINC000177137068 442303177 /nfs/dbraw/zinc/30/31/77/442303177.db2.gz BGQADNZFKUCWFC-UHFFFAOYSA-N 0 0 337.859 1.082 10 0 EDAERN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000171048865 442303762 /nfs/dbraw/zinc/30/37/62/442303762.db2.gz HPICQALIAQWMKD-LBPRGKRZSA-N 0 0 333.363 1.139 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)COc2ccc(C=O)cc2)C1 ZINC000170762796 442259234 /nfs/dbraw/zinc/25/92/34/442259234.db2.gz IHRAGWJPECOPMT-OAHLLOKOSA-N 0 0 332.400 1.785 10 0 EDAERN CNC(=O)c1cccc(CCNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000154265854 442329893 /nfs/dbraw/zinc/32/98/93/442329893.db2.gz RTZAIVCXVQFDHM-GFCCVEGCSA-N 0 0 343.383 1.116 10 0 EDAERN O=C(NCCCN1CCc2ccccc21)N[C@H]1CCCn2ncnc21 ZINC000177345672 442330432 /nfs/dbraw/zinc/33/04/32/442330432.db2.gz QMEMIMMHNOAHGW-HNNXBMFYSA-N 0 0 340.431 1.865 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000171287306 442339108 /nfs/dbraw/zinc/33/91/08/442339108.db2.gz YERMKWFNAJHJJO-CQSZACIVSA-N 0 0 332.429 1.595 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000177155537 442306542 /nfs/dbraw/zinc/30/65/42/442306542.db2.gz XUQWYZPWJYINLQ-OAHLLOKOSA-N 0 0 337.387 1.472 10 0 EDAERN CCOc1ccc(Br)cc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000171084503 442308810 /nfs/dbraw/zinc/30/88/10/442308810.db2.gz JNJOJXYUNRUGAM-QMMMGPOBSA-N 0 0 327.178 1.922 10 0 EDAERN Cc1ccccc1CCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177233513 442317241 /nfs/dbraw/zinc/31/72/41/442317241.db2.gz CHWOPURZUGNECQ-WMZOPIPTSA-N 0 0 331.460 1.900 10 0 EDAERN O=C(Nc1cc(Cl)ccc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177630718 442364874 /nfs/dbraw/zinc/36/48/74/442364874.db2.gz LOCGWZLBAOVUIL-VIFPVBQESA-N 0 0 337.742 1.140 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cnccc3C)C2)c1 ZINC000177670422 442368712 /nfs/dbraw/zinc/36/87/12/442368712.db2.gz BJQFIODIBDDSTI-CQSZACIVSA-N 0 0 327.388 1.697 10 0 EDAERN C[C@H](CNC(=O)NCCOc1ccc(F)cc1F)N1CCOCC1 ZINC000171711241 442373005 /nfs/dbraw/zinc/37/30/05/442373005.db2.gz UWMRANLISLGUOY-GFCCVEGCSA-N 0 0 343.374 1.364 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc2ccccc2n1 ZINC000177705605 442373303 /nfs/dbraw/zinc/37/33/03/442373303.db2.gz IIHAEFSKDNIFLP-CYBMUJFWSA-N 0 0 338.371 1.633 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCc1ncc[nH]1)C(C)C ZINC000171757909 442377996 /nfs/dbraw/zinc/37/79/96/442377996.db2.gz ZVHNBCRQQMHHIM-INIZCTEOSA-N 0 0 328.416 1.831 10 0 EDAERN O=C(NCc1ccn2ccnc2c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177770067 442382053 /nfs/dbraw/zinc/38/20/53/442382053.db2.gz AAZKMZQUANDWDW-OAHLLOKOSA-N 0 0 340.387 1.141 10 0 EDAERN COCCC1(CNC(=O)NC[C@H](C)N2CCOCC2)CCCC1 ZINC000155415970 442396632 /nfs/dbraw/zinc/39/66/32/442396632.db2.gz PUEWYHOMKXQWNU-HNNXBMFYSA-N 0 0 327.469 1.603 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cc3c(C)nn(C)c3s2)n1 ZINC000155460914 442400109 /nfs/dbraw/zinc/40/01/09/442400109.db2.gz SQFGBTSDMFMFEB-LLVKDONJSA-N 0 0 347.400 1.848 10 0 EDAERN O=C(CCCNC(=O)c1ccsc1)N[C@H]1CCCn2ncnc21 ZINC000177563108 442357825 /nfs/dbraw/zinc/35/78/25/442357825.db2.gz DNKWFTXIZIHFAX-LBPRGKRZSA-N 0 0 333.417 1.501 10 0 EDAERN COc1cccc2c1OCC(C(=O)N1CCC[C@H](n3cncn3)C1)=C2 ZINC000171581178 442359210 /nfs/dbraw/zinc/35/92/10/442359210.db2.gz RFZWMELSJFFPCC-HNNXBMFYSA-N 0 0 340.383 1.926 10 0 EDAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177614938 442363264 /nfs/dbraw/zinc/36/32/64/442363264.db2.gz DOIMHWDJTIXHPO-CYBMUJFWSA-N 0 0 348.428 1.725 10 0 EDAERN CCOc1cc(Cl)ccc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000155545202 442406642 /nfs/dbraw/zinc/40/66/42/442406642.db2.gz JAVMZNFHOMMVRX-AWEZNQCLSA-N 0 0 341.839 1.869 10 0 EDAERN C[C@H](C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1)n1cncn1 ZINC000172111584 442410040 /nfs/dbraw/zinc/41/00/40/442410040.db2.gz KAFKPUAMBOVSFF-CQSZACIVSA-N 0 0 345.451 1.135 10 0 EDAERN O=C(NCc1ccccn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172113005 442410551 /nfs/dbraw/zinc/41/05/51/442410551.db2.gz VUFOGDMYVGCOCL-GOSISDBHSA-N 0 0 340.427 1.642 10 0 EDAERN O=C(NCCCOC[C@H]1CCCO1)N1CCC(c2cc[nH]n2)CC1 ZINC000155621897 442413706 /nfs/dbraw/zinc/41/37/06/442413706.db2.gz CIEVNKKUBDUZPN-OAHLLOKOSA-N 0 0 336.436 1.884 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000155623545 442413954 /nfs/dbraw/zinc/41/39/54/442413954.db2.gz BRJZNMMEWYXDEE-NSHDSACASA-N 0 0 330.262 1.206 10 0 EDAERN O=C(COc1ccc2ccc(=O)oc2c1)NC[C@H]1CCCC[C@H]1O ZINC000155686396 442419327 /nfs/dbraw/zinc/41/93/27/442419327.db2.gz MTVRYBRSZKEPMJ-UKRRQHHQSA-N 0 0 331.368 1.839 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCN3CCOC(C)(C)C3)C2)cn1 ZINC000172182514 442420223 /nfs/dbraw/zinc/42/02/23/442420223.db2.gz AJSJQLRBRDIURM-CQSZACIVSA-N 0 0 335.452 1.030 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCN(CCc2ccccc2)CC1)C(C)C ZINC000178422485 442432556 /nfs/dbraw/zinc/43/25/56/442432556.db2.gz BUXPZOOTSMPNAQ-QGZVFWFLSA-N 0 0 346.475 1.327 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000178456636 442435564 /nfs/dbraw/zinc/43/55/64/442435564.db2.gz VSCHXRQALXAHFY-DLBZAZTESA-N 0 0 346.475 1.721 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1CC ZINC000172297517 442438102 /nfs/dbraw/zinc/43/81/02/442438102.db2.gz CZFTZSXKQBHLHL-AWEZNQCLSA-N 0 0 346.431 1.429 10 0 EDAERN CC(C)CCC(=O)NCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000134091272 442450189 /nfs/dbraw/zinc/45/01/89/442450189.db2.gz VMJRIUYNQZZARS-ZDUSSCGKSA-N 0 0 335.452 1.385 10 0 EDAERN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000178662647 442453507 /nfs/dbraw/zinc/45/35/07/442453507.db2.gz YIHLGJSNLOPYPF-SJORKVTESA-N 0 0 335.448 1.391 10 0 EDAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000134525187 442490569 /nfs/dbraw/zinc/49/05/69/442490569.db2.gz WULLDJBSLJGBPP-LBPRGKRZSA-N 0 0 344.375 1.254 10 0 EDAERN O=C(NCCOCc1ccc(Cl)cc1Cl)[C@H]1CNC(=O)C1 ZINC000179840842 442510309 /nfs/dbraw/zinc/51/03/09/442510309.db2.gz PCUCEHPFXMACMJ-SNVBAGLBSA-N 0 0 331.199 1.762 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1cccc(CO)c1)CC2 ZINC000172583889 442496979 /nfs/dbraw/zinc/49/69/79/442496979.db2.gz URGFYCNXYGCLHM-OAHLLOKOSA-N 0 0 343.431 1.708 10 0 EDAERN CC(=O)NC1CN(C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000191728650 442499266 /nfs/dbraw/zinc/49/92/66/442499266.db2.gz KCMHXUHOYSGJND-LBPRGKRZSA-N 0 0 332.322 1.265 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CNC(=O)c3cccs3)CCO2)cn1 ZINC000191726818 442499655 /nfs/dbraw/zinc/49/96/55/442499655.db2.gz IKCJMQADQYHDEO-ZDUSSCGKSA-N 0 0 348.428 1.294 10 0 EDAERN CC[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCN1CCOC ZINC000191738759 442502513 /nfs/dbraw/zinc/50/25/13/442502513.db2.gz FXTAMADEFRVUII-AWEZNQCLSA-N 0 0 334.464 1.861 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3cc(N)nc(Cl)c3)CCO2)cn1 ZINC000191746859 442504714 /nfs/dbraw/zinc/50/47/14/442504714.db2.gz MSZNWFDOCCNRLG-LBPRGKRZSA-N 0 0 335.795 1.747 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CC1(CSc2ccccc2)CC1 ZINC000186302627 442507673 /nfs/dbraw/zinc/50/76/73/442507673.db2.gz NKFRGJZAYKONGH-AWEZNQCLSA-N 0 0 334.441 1.662 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](NC(C)=O)C2)cc1CC ZINC000179828230 442508341 /nfs/dbraw/zinc/50/83/41/442508341.db2.gz VWECVDRKPCOTER-QGZVFWFLSA-N 0 0 345.443 1.877 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)C(C)C ZINC000178716053 442461393 /nfs/dbraw/zinc/46/13/93/442461393.db2.gz MYSLZRBOLOIOHX-CYBMUJFWSA-N 0 0 325.796 1.799 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(F)(F)CO ZINC000186103087 442463174 /nfs/dbraw/zinc/46/31/74/442463174.db2.gz GNRCZEOEJZFKAC-GFCCVEGCSA-N 0 0 348.777 1.838 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCCC(=O)N(C)C)C1 ZINC000172453880 442464352 /nfs/dbraw/zinc/46/43/52/442464352.db2.gz RMFFGPMUOIVTGI-AWEZNQCLSA-N 0 0 335.452 1.660 10 0 EDAERN COC[C@@H](C)C(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191580149 442469665 /nfs/dbraw/zinc/46/96/65/442469665.db2.gz VLYYNYCYJUHDDA-HUUCEWRRSA-N 0 0 342.480 1.924 10 0 EDAERN C[C@@H](NC(=O)c1ccc(-c2nc[nH]n2)cc1)c1nnc2n1CCCC2 ZINC000186144713 442472228 /nfs/dbraw/zinc/47/22/28/442472228.db2.gz IIPHRXRJTHLYQR-LLVKDONJSA-N 0 0 337.387 1.891 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c(F)cc1F ZINC000186177575 442478742 /nfs/dbraw/zinc/47/87/42/442478742.db2.gz DYNLRCQYRXJTRI-UHFFFAOYSA-N 0 0 344.383 1.562 10 0 EDAERN COc1ccc(OC)c(CC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172757430 442536377 /nfs/dbraw/zinc/53/63/77/442536377.db2.gz DSAZKFJDQWKYKN-HNNXBMFYSA-N 0 0 334.416 1.179 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)C12CCOCC2 ZINC000186458607 442539166 /nfs/dbraw/zinc/53/91/66/442539166.db2.gz OHNCVFWBKDZBNJ-CHWSQXEVSA-N 0 0 338.429 1.551 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191994801 442558580 /nfs/dbraw/zinc/55/85/80/442558580.db2.gz BDXDZDYQECISIL-ZIAGYGMSSA-N 0 0 327.469 1.551 10 0 EDAERN C[C@@H]1CCCN(c2cc(NCCOCCS(C)(=O)=O)ncn2)C1 ZINC000172770751 442540582 /nfs/dbraw/zinc/54/05/82/442540582.db2.gz MCXLIAFCHOXION-CYBMUJFWSA-N 0 0 342.465 1.186 10 0 EDAERN COc1cc(F)c(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)cc1F ZINC000157112365 442550457 /nfs/dbraw/zinc/55/04/57/442550457.db2.gz VGCZLCAVKVDWIS-QPUJVOFHSA-N 0 0 328.315 1.596 10 0 EDAERN O=C(NCc1cc2cc(Br)ccc2[nH]1)[C@@H]1CNC(=O)C1 ZINC000186530869 442554140 /nfs/dbraw/zinc/55/41/40/442554140.db2.gz OEZLJJHIONSTPG-VIFPVBQESA-N 0 0 336.189 1.683 10 0 EDAERN COCCN1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000157148713 442555469 /nfs/dbraw/zinc/55/54/69/442555469.db2.gz NSFIHZOHZXOZLS-CYBMUJFWSA-N 0 0 348.472 1.941 10 0 EDAERN CN(CC(=O)NC[C@@H]1CCCC[C@@H]1O)C(=O)OCc1ccccc1 ZINC000191824200 442518931 /nfs/dbraw/zinc/51/89/31/442518931.db2.gz JYZYALKHHCRVPH-HOTGVXAUSA-N 0 0 334.416 1.922 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)C(=O)NCC3CC3)CC2)cs1 ZINC000191830759 442519405 /nfs/dbraw/zinc/51/94/05/442519405.db2.gz WOSPTGGGPHDCJS-UHFFFAOYSA-N 0 0 336.461 1.012 10 0 EDAERN Cc1cn2c(ncc(C(=O)N3CC[C@H](c4cnn(C)c4)C3)c2=O)s1 ZINC000179939604 442521307 /nfs/dbraw/zinc/52/13/07/442521307.db2.gz BWBBSJQYYZCOGX-NSHDSACASA-N 0 0 343.412 1.428 10 0 EDAERN CNC(=O)[C@H](NS(=O)(=O)c1cccc(Br)c1)C(C)C ZINC000178926583 442527591 /nfs/dbraw/zinc/52/75/91/442527591.db2.gz FTMYJFGJGDRIIL-LLVKDONJSA-N 0 0 349.250 1.498 10 0 EDAERN O=C(c1ccc(OC(F)F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172742163 442530092 /nfs/dbraw/zinc/53/00/92/442530092.db2.gz FENRYZLFCNGXSV-ZDUSSCGKSA-N 0 0 326.343 1.835 10 0 EDAERN CCC(CC)NC(=O)[C@@H](C)N1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191994462 442558099 /nfs/dbraw/zinc/55/80/99/442558099.db2.gz ACMPMGWMOOHYMC-CYBMUJFWSA-N 0 0 327.469 1.551 10 0 EDAERN CCn1cnnc1-c1ccccc1NC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178944695 442533156 /nfs/dbraw/zinc/53/31/56/442533156.db2.gz UFALDZVSDPAVCP-CQSZACIVSA-N 0 0 344.419 1.857 10 0 EDAERN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000180272202 442570964 /nfs/dbraw/zinc/57/09/64/442570964.db2.gz KOWLVAKDBUENKB-INIZCTEOSA-N 0 0 325.368 1.383 10 0 EDAERN CN(C)C(=O)CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179102611 442572365 /nfs/dbraw/zinc/57/23/65/442572365.db2.gz RSOXQLGHLRYSLN-WMLDXEAASA-N 0 0 349.406 1.330 10 0 EDAERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135308135 442578232 /nfs/dbraw/zinc/57/82/32/442578232.db2.gz RDPGYIYXOGAKHA-WDEREUQCSA-N 0 0 347.444 1.672 10 0 EDAERN CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000135344532 442583221 /nfs/dbraw/zinc/58/32/21/442583221.db2.gz REYUFHGHCBRYOF-AWEZNQCLSA-N 0 0 348.428 1.645 10 0 EDAERN O=C(CCC(=O)N1CC[C@H](Oc2cccnc2)C1)NC1CCCC1 ZINC000157481593 442587314 /nfs/dbraw/zinc/58/73/14/442587314.db2.gz XEDDKMQEQVFXHZ-INIZCTEOSA-N 0 0 331.416 1.900 10 0 EDAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000173049171 442594723 /nfs/dbraw/zinc/59/47/23/442594723.db2.gz SMZNGASUCVJPFQ-IUODEOHRSA-N 0 0 329.448 1.965 10 0 EDAERN C[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c1nnc2n1CCCC2 ZINC000135430061 442595791 /nfs/dbraw/zinc/59/57/91/442595791.db2.gz HAFPJCKLVSAAQT-LLVKDONJSA-N 0 0 337.424 1.706 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000157602196 442597398 /nfs/dbraw/zinc/59/73/98/442597398.db2.gz LFEAQSMLGXKEQX-ONGXEEELSA-N 0 0 348.325 1.051 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2CCCC[C@H]2CO)c1C ZINC000179224796 442600832 /nfs/dbraw/zinc/60/08/32/442600832.db2.gz KTCGXLXGZYORTR-BBRMVZONSA-N 0 0 339.457 1.988 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C)cc3C)CCO2)[nH]1 ZINC000180225240 442562250 /nfs/dbraw/zinc/56/22/50/442562250.db2.gz VGXMSLSLVHSEQC-AWEZNQCLSA-N 0 0 343.387 1.269 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180246521 442566545 /nfs/dbraw/zinc/56/65/45/442566545.db2.gz VQERJLCZSOVBRR-GOEBONIOSA-N 0 0 331.416 1.113 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cncc(Cl)n3)C2)n1 ZINC000192352595 442637975 /nfs/dbraw/zinc/63/79/75/442637975.db2.gz HNPXPYLWSMWKHG-LBPRGKRZSA-N 0 0 334.811 1.891 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C)c1F ZINC000180697969 442649802 /nfs/dbraw/zinc/64/98/02/442649802.db2.gz PEPJWCXAVOOBBY-LBPRGKRZSA-N 0 0 331.351 1.624 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccn(CCOC)n3)CCO2)cn1 ZINC000192192872 442611515 /nfs/dbraw/zinc/61/15/15/442611515.db2.gz FYLKRWHLDJLARS-AWEZNQCLSA-N 0 0 348.407 1.351 10 0 EDAERN CN(C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000173180502 442618526 /nfs/dbraw/zinc/61/85/26/442618526.db2.gz WUDACDBAFQWFGH-RDJZCZTQSA-N 0 0 326.400 1.993 10 0 EDAERN COC(=O)N1CCC([C@@H](C)NC(=O)NCCn2cc(C)cn2)CC1 ZINC000186906146 442628031 /nfs/dbraw/zinc/62/80/31/442628031.db2.gz VVVCXDLOLBMMQG-CYBMUJFWSA-N 0 0 337.424 1.358 10 0 EDAERN NC(=O)NCc1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000135747080 442630707 /nfs/dbraw/zinc/63/07/07/442630707.db2.gz HNQUEWUDKBHYQJ-INIZCTEOSA-N 0 0 340.383 1.543 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000181236894 442686008 /nfs/dbraw/zinc/68/60/08/442686008.db2.gz JHHVLFCFDQFBKQ-HNNXBMFYSA-N 0 0 339.411 1.955 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(C)C ZINC000181250438 442686885 /nfs/dbraw/zinc/68/68/85/442686885.db2.gz DILPPVVIADCXCB-GUYCJALGSA-N 0 0 337.464 1.300 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCC(=O)NC1CC1 ZINC000192575799 442664549 /nfs/dbraw/zinc/66/45/49/442664549.db2.gz GDEAGXFQCQQYFX-LBPRGKRZSA-N 0 0 332.404 1.372 10 0 EDAERN O=S(=O)(CCN1CCC[C@@H](n2cncn2)C1)c1ccc(F)cc1 ZINC000192577702 442665078 /nfs/dbraw/zinc/66/50/78/442665078.db2.gz DPNHJBSKSGGPFN-CQSZACIVSA-N 0 0 338.408 1.528 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000188139443 442715956 /nfs/dbraw/zinc/71/59/56/442715956.db2.gz LKRWXTGZAPHLIZ-SECBINFHSA-N 0 0 327.331 1.182 10 0 EDAERN COC1(CNC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)CCC1 ZINC000181811930 442717845 /nfs/dbraw/zinc/71/78/45/442717845.db2.gz KVIPNPOYPYBTSD-HNNXBMFYSA-N 0 0 335.452 1.886 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)/C=C/c1cncc(O)c1)CC2 ZINC000182099864 442735733 /nfs/dbraw/zinc/73/57/33/442735733.db2.gz ZKRJPMYIZDBYLP-YIALFULDSA-N 0 0 327.388 1.647 10 0 EDAERN CCCCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000193444945 442743198 /nfs/dbraw/zinc/74/31/98/442743198.db2.gz BDIZPAPABSTWBY-APIJFGDWSA-N 0 0 326.437 1.068 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(C)cc1OC(C)(C)C ZINC000193483830 442747450 /nfs/dbraw/zinc/74/74/50/442747450.db2.gz ULKCQNCEPMQRIW-HZPDHXFCSA-N 0 0 348.443 1.770 10 0 EDAERN COc1ncccc1NC(=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000193536327 442751734 /nfs/dbraw/zinc/75/17/34/442751734.db2.gz QHBADULJLHMWKF-UHFFFAOYSA-N 0 0 329.400 1.970 10 0 EDAERN CC(C)CNC(=O)NC(=O)CN1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188085869 442709707 /nfs/dbraw/zinc/70/97/07/442709707.db2.gz SRJOLCBHMWBYRA-KGLIPLIRSA-N 0 0 339.461 1.238 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)ccc1Cl ZINC000193091517 442712327 /nfs/dbraw/zinc/71/23/27/442712327.db2.gz CIGJYHPWERQLIM-GWCFXTLKSA-N 0 0 340.807 1.954 10 0 EDAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188506702 442757651 /nfs/dbraw/zinc/75/76/51/442757651.db2.gz QGNQFIXRIPQUSD-UHFFFAOYSA-N 0 0 340.379 1.842 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc3c(c1)NC(=O)C3)CC2 ZINC000182437626 442767098 /nfs/dbraw/zinc/76/70/98/442767098.db2.gz JMIRUJKPUPDATJ-ZDUSSCGKSA-N 0 0 339.399 1.009 10 0 EDAERN Cc1ncc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1 ZINC000182545829 442784609 /nfs/dbraw/zinc/78/46/09/442784609.db2.gz YOZSZBIGPUMMJR-JTQLQIEISA-N 0 0 333.413 1.988 10 0 EDAERN CC[C@H]1CN(C(=O)CCC(=O)c2ccccc2)CCN1C[C@H](C)O ZINC000247059984 442832041 /nfs/dbraw/zinc/83/20/41/442832041.db2.gz ZAABMWDFXKOTDX-RDJZCZTQSA-N 0 0 332.444 1.953 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000188778604 442810957 /nfs/dbraw/zinc/81/09/57/442810957.db2.gz MVRYJQLONJWROC-CHWSQXEVSA-N 0 0 341.205 1.047 10 0 EDAERN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000188781497 442812343 /nfs/dbraw/zinc/81/23/43/442812343.db2.gz WHZHZIVWTFZTEN-DGCLKSJQSA-N 0 0 326.418 1.657 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCN1C[C@H](C)O ZINC000246777420 442813016 /nfs/dbraw/zinc/81/30/16/442813016.db2.gz IQAPLGSCMUPYRX-KBXCAEBGSA-N 0 0 344.455 1.662 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182737390 442816577 /nfs/dbraw/zinc/81/65/77/442816577.db2.gz BOYOYDDSWFTPLP-YPMHNXCESA-N 0 0 326.824 1.963 10 0 EDAERN O=C(NC1CN(C(=O)NCCCOc2ccc(F)cc2)C1)C1CCC1 ZINC000188831215 442823370 /nfs/dbraw/zinc/82/33/70/442823370.db2.gz LHSWJSVXXKBQKM-UHFFFAOYSA-N 0 0 349.406 1.905 10 0 EDAERN Cn1nnc2ccc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)cc21 ZINC000182784207 442824136 /nfs/dbraw/zinc/82/41/36/442824136.db2.gz HMQALTXQDNFHAT-GFCCVEGCSA-N 0 0 325.376 1.112 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000188933246 442844367 /nfs/dbraw/zinc/84/43/67/442844367.db2.gz KSCDBJUDCUMWPO-CJNGLKHVSA-N 0 0 334.416 1.585 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(Br)cnc1Cl ZINC000188936270 442845438 /nfs/dbraw/zinc/84/54/38/442845438.db2.gz GGIFJINBWZKHJF-SSDOTTSWSA-N 0 0 346.612 1.848 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)C3CCC(O)CC3)CC2)cn1 ZINC000194269125 442868845 /nfs/dbraw/zinc/86/88/45/442868845.db2.gz IRSUOFUXADSZCP-UHFFFAOYSA-N 0 0 334.464 1.488 10 0 EDAERN C[C@H](C[S@](C)=O)N(C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000248488621 442896658 /nfs/dbraw/zinc/89/66/58/442896658.db2.gz MNDGRPXHTVTWAH-PSVOKBTDSA-N 0 0 346.493 1.859 10 0 EDAERN O[C@H](COc1ccccc1)CN1CCN(CCOCC(F)F)CC1 ZINC000189213073 442898022 /nfs/dbraw/zinc/89/80/22/442898022.db2.gz OJWKXNGVXBWNSF-HNNXBMFYSA-N 0 0 344.402 1.326 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCc1cc[nH]n1)C(C)C ZINC000194466671 442901881 /nfs/dbraw/zinc/90/18/81/442901881.db2.gz BTRWFDNOGKITJX-OAHLLOKOSA-N 0 0 330.388 1.489 10 0 EDAERN CCCCOC[C@@H](O)CN1CCOC[C@H]1CC(=O)c1ccco1 ZINC000248659094 442914049 /nfs/dbraw/zinc/91/40/49/442914049.db2.gz UYEJSCJGCXSDSY-CABCVRRESA-N 0 0 325.405 1.731 10 0 EDAERN COC(=O)[C@@H]1CCCCN1[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000248730000 442921814 /nfs/dbraw/zinc/92/18/14/442921814.db2.gz JARHXWQOIZWWOO-CABCVRRESA-N 0 0 332.400 1.828 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cncc(Cl)n3)CC2)cn1 ZINC000189348231 442926094 /nfs/dbraw/zinc/92/60/94/442926094.db2.gz WGINXVMZYOZWNQ-UHFFFAOYSA-N 0 0 348.838 1.695 10 0 EDAERN C[C@@H](CNC(=O)NCCO[C@H]1CCCC[C@H]1C)N1CCOCC1 ZINC000248894742 442935246 /nfs/dbraw/zinc/93/52/46/442935246.db2.gz YJXLRMXSBZWBPR-PMPSAXMXSA-N 0 0 327.469 1.602 10 0 EDAERN C[C@@H](CC(=O)N1CC(NC(=O)C2CCC2)C1)NC(=O)c1ccccc1 ZINC000188569617 318560677 /nfs/dbraw/zinc/56/06/77/318560677.db2.gz AFZACEABLXUXMY-ZDUSSCGKSA-N 0 0 343.427 1.322 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3c3nc(C)no3)[nH]n2)o1 ZINC000183764461 442961040 /nfs/dbraw/zinc/96/10/40/442961040.db2.gz YGZIHNSUVNKLFP-ZDUSSCGKSA-N 0 0 343.343 1.883 10 0 EDAERN CCc1c(C(=O)N2CCOC[C@@H]2c2nc(C)no2)[nH]c(C)c1C(C)=O ZINC000183761539 442961679 /nfs/dbraw/zinc/96/16/79/442961679.db2.gz UJGVFNUNHFIUOV-CYBMUJFWSA-N 0 0 346.387 1.993 10 0 EDAERN C[C@H](NC(=O)Nc1ccncc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000184174931 442998849 /nfs/dbraw/zinc/99/88/49/442998849.db2.gz LQSLYNOULCYCFA-VIFPVBQESA-N 0 0 338.364 1.751 10 0 EDAERN C[C@H](CNC(=O)c1cc(Br)cs1)N1CCOCC1 ZINC000195019667 442977340 /nfs/dbraw/zinc/97/73/40/442977340.db2.gz IYBSERABGZEJCS-SECBINFHSA-N 0 0 333.251 1.961 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(C(N)=O)s1)CC2 ZINC000195405091 318598886 /nfs/dbraw/zinc/59/88/86/318598886.db2.gz RBXAIUBSSVYKQO-VIFPVBQESA-N 0 0 333.417 1.307 10 0 EDAERN CCCCOC[C@H](O)CN1CCN([C@H](C)c2nccs2)CC1 ZINC000195218959 442997596 /nfs/dbraw/zinc/99/75/96/442997596.db2.gz VMKZZBXWYSNDTP-HUUCEWRRSA-N 0 0 327.494 1.999 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCC[C@H]2CCCCO2)CC1 ZINC000184381458 443016590 /nfs/dbraw/zinc/01/65/90/443016590.db2.gz DEUJPNGXZZDMJV-JKSUJKDBSA-N 0 0 327.469 1.434 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000189935081 443032065 /nfs/dbraw/zinc/03/20/65/443032065.db2.gz XFSGZFDPXGGTNR-YOEHRIQHSA-N 0 0 346.427 1.195 10 0 EDAERN O=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(F)cc1F ZINC000224218271 443096624 /nfs/dbraw/zinc/09/66/24/443096624.db2.gz UHKMYFXWMLLJMJ-UHFFFAOYSA-N 0 0 334.326 1.521 10 0 EDAERN Cc1cc(Nc2cc(N[C@@H](C(N)=O)C3CC3)cnc2C(N)=O)sn1 ZINC000210851544 443051929 /nfs/dbraw/zinc/05/19/29/443051929.db2.gz YXLHBBLHUNQSIP-GFCCVEGCSA-N 0 0 346.416 1.365 10 0 EDAERN COc1ccc([C@H](CN(C)C)NS(=O)(=O)[C@H]2CCCOC2)cc1 ZINC000253416218 443061044 /nfs/dbraw/zinc/06/10/44/443061044.db2.gz BBOPCGFVXXHCTN-HOTGVXAUSA-N 0 0 342.461 1.396 10 0 EDAERN C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@H](O)C[C@@H]1CO ZINC000184731991 443068665 /nfs/dbraw/zinc/06/86/65/443068665.db2.gz QZQNIVSTBSTPPV-OASPWFOLSA-N 0 0 343.221 1.204 10 0 EDAERN CCN(C(=O)CN1CCOC[C@H]1c1nc(C)no1)C1CCCCC1 ZINC000185083550 443132573 /nfs/dbraw/zinc/13/25/73/443132573.db2.gz FEBVSBPHOCXSFB-HNNXBMFYSA-N 0 0 336.436 1.933 10 0 EDAERN NS(=O)(=O)Nc1ccc(Cl)cc1I ZINC000232254046 443137189 /nfs/dbraw/zinc/13/71/89/443137189.db2.gz IADDHTUJCBJLHT-UHFFFAOYSA-N 0 0 332.550 1.560 10 0 EDAERN O[C@@H](CNc1cncc(OCC2CCCC2)n1)CN1CCOCC1 ZINC000185115031 443141245 /nfs/dbraw/zinc/14/12/45/443141245.db2.gz TYIOTLOQLSKPHB-HNNXBMFYSA-N 0 0 336.436 1.151 10 0 EDAERN CC1(Cn2cc(C(=O)N3CC[C@H](Oc4cccnc4)C3)nn2)COC1 ZINC000185137667 443145780 /nfs/dbraw/zinc/14/57/80/443145780.db2.gz ZETASGXCHTYYKJ-AWEZNQCLSA-N 0 0 343.387 1.003 10 0 EDAERN COC[C@@H]1CC(F)(F)CN1C1CCN(C(=O)c2ccncn2)CC1 ZINC000257188252 443120958 /nfs/dbraw/zinc/12/09/58/443120958.db2.gz DVAJVNBGCMWUOB-ZDUSSCGKSA-N 0 0 340.374 1.437 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)C(=O)[O-] ZINC000185044025 443125116 /nfs/dbraw/zinc/12/51/16/443125116.db2.gz WPGJXKPXBGFCNO-CQSZACIVSA-N 0 0 339.461 1.235 10 0 EDAERN COc1ccnc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1OC ZINC000190524660 443127918 /nfs/dbraw/zinc/12/79/18/443127918.db2.gz LLWZLIHZCVVLJB-LBPRGKRZSA-N 0 0 347.419 1.669 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3ccc(OC)nc3)CCO2)cn1 ZINC000190695186 443165703 /nfs/dbraw/zinc/16/57/03/443165703.db2.gz HGLCDTUXHWSCQC-OAHLLOKOSA-N 0 0 345.403 1.590 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000185247224 443169561 /nfs/dbraw/zinc/16/95/61/443169561.db2.gz LXNWCVMHAVOFFI-UHFFFAOYSA-N 0 0 348.346 1.886 10 0 EDAERN COCC(=O)NC1CN(C(=O)CSCc2cccc(Cl)c2)C1 ZINC000185270556 443173556 /nfs/dbraw/zinc/17/35/56/443173556.db2.gz AGYIEWJEZFASTE-UHFFFAOYSA-N 0 0 342.848 1.547 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)N(C)Cc3cccs3)CCO2)cn1 ZINC000190758205 443177827 /nfs/dbraw/zinc/17/78/27/443177827.db2.gz SQCZYVCZCVJULT-INIZCTEOSA-N 0 0 348.472 1.996 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000185293445 443178147 /nfs/dbraw/zinc/17/81/47/443178147.db2.gz UELMDRQBBVAPCD-UHFFFAOYSA-N 0 0 344.333 1.769 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2cccs2)[C@H]1[NH3+] ZINC000257353921 443156617 /nfs/dbraw/zinc/15/66/17/443156617.db2.gz UQYYJSCJKCMPTO-ADEWGFFLSA-N 0 0 326.418 1.822 10 0 EDAERN CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCO[C@H]2C)ccc1C ZINC000190659386 443158869 /nfs/dbraw/zinc/15/88/69/443158869.db2.gz CZMVMMQYLGUEPF-WCQYABFASA-N 0 0 326.418 1.657 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000190677019 443161986 /nfs/dbraw/zinc/16/19/86/443161986.db2.gz WQUZEBKIRQCVRV-SECBINFHSA-N 0 0 343.305 1.381 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000190676852 443162434 /nfs/dbraw/zinc/16/24/34/443162434.db2.gz VMAXUUSVPIJUBO-SNVBAGLBSA-N 0 0 339.342 1.474 10 0 EDAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000185783618 443256602 /nfs/dbraw/zinc/25/66/02/443256602.db2.gz CYOCACMRQHQNTC-KBPBESRZSA-N 0 0 337.468 1.765 10 0 EDAERN CCCCCc1ccc(NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000191346671 443281735 /nfs/dbraw/zinc/28/17/35/443281735.db2.gz DIQSVNXQLIMAHD-UHFFFAOYSA-N 0 0 331.416 1.705 10 0 EDAERN O=C(CCOCC(F)(F)C(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000191270088 443269328 /nfs/dbraw/zinc/26/93/28/443269328.db2.gz WYVWSYUEVBBPKS-JTQLQIEISA-N 0 0 338.305 1.749 10 0 EDAERN COc1ccc(/C=C\C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1O ZINC000492406962 320378410 /nfs/dbraw/zinc/37/84/10/320378410.db2.gz NSGMCXHVTOSWOH-ARTVWEGUSA-N 0 0 346.427 1.593 10 0 EDAERN CC(C)c1nccc(NC2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000328642405 444409789 /nfs/dbraw/zinc/40/97/89/444409789.db2.gz QYZBLTNWOJVYNX-UHFFFAOYSA-N 0 0 328.420 1.775 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3nccc(N)n3)CC2)O1 ZINC000328654422 444415858 /nfs/dbraw/zinc/41/58/58/444415858.db2.gz XKQBDZKHWLGRMD-KFWWJZLASA-N 0 0 347.463 1.439 10 0 EDAERN Cc1nnc([C@@H]2COCCN2C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)o1 ZINC000328610242 444392408 /nfs/dbraw/zinc/39/24/08/444392408.db2.gz GYTGDYJAGDSPGD-VZJVUDMVSA-N 0 0 329.356 1.843 10 0 EDAERN Cc1cn(CC(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)c2ccccc12 ZINC000328611073 444393403 /nfs/dbraw/zinc/39/34/03/444393403.db2.gz KGIOUNRYUOXDOG-CZUORRHYSA-N 0 0 340.383 1.976 10 0 EDAERN CCc1nn(C)cc1C(=O)N1CCN(CC)[C@H](c2nccn2C)C1 ZINC000328618896 444396389 /nfs/dbraw/zinc/39/63/89/444396389.db2.gz FDLLVVOOFHUXJB-HNNXBMFYSA-N 0 0 330.436 1.235 10 0 EDAERN Cc1ncccc1O[C@H]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000328627555 444401554 /nfs/dbraw/zinc/40/15/54/444401554.db2.gz MWQMZFMOMBIJOF-KGLIPLIRSA-N 0 0 326.418 1.209 10 0 EDAERN CC(=O)O[C@@H]1[C@@H](OCc2ccccc2)[C@H](O)O[C@@H](C)[C@@H]1OC(C)=O ZINC000575626991 447876358 /nfs/dbraw/zinc/87/63/58/447876358.db2.gz HBVDJQLPAKHZER-DHIJGFHKSA-N 0 0 338.356 1.172 10 0 EDAERN COc1c(F)cc(S(N)(=O)=O)cc1I ZINC000575705816 447882211 /nfs/dbraw/zinc/88/22/11/447882211.db2.gz QGTAETUKOFOEGD-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(c2nccc3c2C(=O)OC3(C)C)C1 ZINC000583616273 448442405 /nfs/dbraw/zinc/44/24/05/448442405.db2.gz KQLQSWBFQAQMPM-PWSUYJOCSA-N 0 0 343.387 1.880 10 0 EDAERN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000583616327 448442686 /nfs/dbraw/zinc/44/26/86/448442686.db2.gz VHLKHOPKAWQGLI-OAGGEKHMSA-N 0 0 325.430 1.627 10 0 EDAERN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000583617966 448446576 /nfs/dbraw/zinc/44/65/76/448446576.db2.gz OGQNKLWLWFAFEG-AMIZOPFISA-N 0 0 340.309 1.661 10 0 EDAERN CC(C)c1cc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)n(C)n1 ZINC000583618876 448448675 /nfs/dbraw/zinc/44/86/75/448448675.db2.gz WLGNFBQZYLLPBS-KRWDZBQOSA-N 0 0 346.435 1.450 10 0 EDAERN CC(C)n1cc([C@@]2(O)CCN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1 ZINC000583618882 448448992 /nfs/dbraw/zinc/44/89/92/448448992.db2.gz WZRFIDDDSGDSIE-QGZVFWFLSA-N 0 0 344.419 1.195 10 0 EDAERN C[C@@H](NC(=O)CN1CCO[C@@H](c2nncn2C)C1)c1ccccc1 ZINC000583619702 448449659 /nfs/dbraw/zinc/44/96/59/448449659.db2.gz LJZHLNTWBYEYMG-UKRRQHHQSA-N 0 0 329.404 1.066 10 0 EDAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CCC[C@H](O)C1 ZINC000614142142 449479237 /nfs/dbraw/zinc/47/92/37/449479237.db2.gz KHGJALPFKGJWPJ-BDAKNGLRSA-N 0 0 345.193 1.192 10 0 EDAERN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000614147502 449481089 /nfs/dbraw/zinc/48/10/89/449481089.db2.gz UABLKULZUOFSGT-GHMZBOCLSA-N 0 0 329.194 1.031 10 0 EDAERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000614638278 449732182 /nfs/dbraw/zinc/73/21/82/449732182.db2.gz YFTMYGYJEWQQDR-PAPYEOQZSA-N 0 0 334.420 1.267 10 0 EDAERN CCNC(=O)c1nnc2c(I)cccc2c1N ZINC000616577399 450453144 /nfs/dbraw/zinc/45/31/44/450453144.db2.gz WAOCHCHZDAJWIB-UHFFFAOYSA-N 0 0 342.140 1.566 10 0 EDAERN NC(=O)c1cccc([C@H]2CCc3ccccc3N2S(N)(=O)=O)c1 ZINC000616592617 450454499 /nfs/dbraw/zinc/45/44/99/450454499.db2.gz DESZIWHYUNDOHG-OAHLLOKOSA-N 0 0 331.397 1.483 10 0 EDAERN NC(=O)c1cccc([C@@H]2Cc3ccccc3N(S(N)(=O)=O)C2)c1 ZINC000616669139 450458829 /nfs/dbraw/zinc/45/88/29/450458829.db2.gz LSHITGMXTNBPER-CQSZACIVSA-N 0 0 331.397 1.135 10 0 EDAERN NC(=O)c1ccccc1[C@@H]1CCN(S(N)(=O)=O)c2ccccc21 ZINC000616677249 450459371 /nfs/dbraw/zinc/45/93/71/450459371.db2.gz YGDJSZIECJDGLJ-LBPRGKRZSA-N 0 0 331.397 1.331 10 0 EDAERN COc1cc(OC)c(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1OC ZINC000616766630 450478851 /nfs/dbraw/zinc/47/88/51/450478851.db2.gz JCHCCTJUBKVPHF-WQGACYEGSA-N 0 0 347.371 1.013 10 0 EDAERN Cn1cc(O[C@@H]2CN(c3ccnc(C(F)(F)F)c3)C[C@H]2O)cn1 ZINC000624423635 450844171 /nfs/dbraw/zinc/84/41/71/450844171.db2.gz OEPGKYDJWYFBIR-VXGBXAGGSA-N 0 0 328.294 1.462 10 0 EDAERN CCn1cc(O[C@@H]2CN(c3ccnc4c3c(C)nn4C)C[C@H]2O)cn1 ZINC000624421437 450843839 /nfs/dbraw/zinc/84/38/39/450843839.db2.gz OHTYSEIRICPCQE-HUUCEWRRSA-N 0 0 342.403 1.122 10 0 EDAERN Cc1ncc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)o1 ZINC000630648882 451298506 /nfs/dbraw/zinc/29/85/06/451298506.db2.gz GZIAXFRNOSJXLS-JKSUJKDBSA-N 0 0 343.383 1.717 10 0 EDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1c(F)cc(Br)cc1F ZINC000629237928 451612375 /nfs/dbraw/zinc/61/23/75/451612375.db2.gz WYISBIBAZXDEJR-UWVGGRQHSA-N 0 0 336.132 1.607 10 0 EDAERN FC(F)(F)[C@@H]1COc2c(nc(Cl)nc2N2CCOCC2)O1 ZINC000216725927 485543385 /nfs/dbraw/zinc/54/33/85/485543385.db2.gz KSAWDKJKHLQUQV-LURJTMIESA-N 0 0 325.674 1.669 10 0 EDAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)O1 ZINC000246318208 485548103 /nfs/dbraw/zinc/54/81/03/485548103.db2.gz CYUXFFQGHKGCGQ-WCVJEAGWSA-N 0 0 332.400 1.303 10 0 EDAERN COc1cccc2c(N3CC[C@](O)(Cn4ccnn4)C3)ccnc12 ZINC000671466136 486548782 /nfs/dbraw/zinc/54/87/82/486548782.db2.gz BZTASBYDZZKBMS-QGZVFWFLSA-N 0 0 325.372 1.476 10 0 EDAERN COC[C@@H](NC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1)C1CC1 ZINC000119885387 490996408 /nfs/dbraw/zinc/99/64/08/490996408.db2.gz MNUYXXPCRJDGJC-JKSUJKDBSA-N 0 0 336.436 1.335 10 0 EDAERN CSC[C@H](C)N(C)S(=O)(=O)c1cc(CO)cc(F)c1F ZINC000138078550 533771152 /nfs/dbraw/zinc/77/11/52/533771152.db2.gz RQFUODDTEBSBPX-QMMMGPOBSA-N 0 0 325.402 1.829 10 0 EDAERN C[C@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1N1CCOCC1 ZINC000183380832 533885229 /nfs/dbraw/zinc/88/52/29/533885229.db2.gz MBYROQYLCINKKU-WMLDXEAASA-N 0 0 341.415 1.060 10 0 EDAERN Cc1c(SCC(=O)OC(C)(C)C)cc(N)cc1S(N)(=O)=O ZINC000166728331 533937925 /nfs/dbraw/zinc/93/79/25/533937925.db2.gz PXKPZGCNLQQZAR-UHFFFAOYSA-N 0 0 332.447 1.658 10 0 EDAERN COc1ccc(F)cc1[C@@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190285497 533956280 /nfs/dbraw/zinc/95/62/80/533956280.db2.gz LSVGLGVJIHLLMS-SNVBAGLBSA-N 0 0 335.379 1.815 10 0 EDAERN C[C@H](O)C(=O)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000152759732 534039220 /nfs/dbraw/zinc/03/92/20/534039220.db2.gz ASOPNMCDEJUTAF-NSHDSACASA-N 0 0 340.807 1.232 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1cc(Br)cnc1N)C1CC1 ZINC000158108045 534073151 /nfs/dbraw/zinc/07/31/51/534073151.db2.gz AZHIMHPWYAJWPR-ZETCQYMHSA-N 0 0 334.239 1.751 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000180251317 534155760 /nfs/dbraw/zinc/15/57/60/534155760.db2.gz HOXSUDKZJQUDDZ-BBRMVZONSA-N 0 0 349.406 1.252 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(F)cc3nccnc32)C[C@@H]1N1CCOCC1 ZINC000173831183 534403643 /nfs/dbraw/zinc/40/36/43/534403643.db2.gz FUSMPRLTSNWWES-WBMJQRKESA-N 0 0 344.390 1.562 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1N1CCOCC1 ZINC000173960518 534409019 /nfs/dbraw/zinc/40/90/19/534409019.db2.gz LIDFPVUZFQNMBV-CRAIPNDOSA-N 0 0 340.427 1.665 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CC1(CSc2ccccc2)CC1 ZINC000186302609 534461727 /nfs/dbraw/zinc/46/17/27/534461727.db2.gz NKFRGJZAYKONGH-CQSZACIVSA-N 0 0 334.441 1.662 10 0 EDAERN Cc1nsc(N2CCCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)n1 ZINC000174950364 534501592 /nfs/dbraw/zinc/50/15/92/534501592.db2.gz JZWVQVQBTCCQKQ-YPMHNXCESA-N 0 0 339.465 1.636 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCc2c(F)cccc2F)C1 ZINC000079449690 534658228 /nfs/dbraw/zinc/65/82/28/534658228.db2.gz SVRBQNKFZCXNNV-LBPRGKRZSA-N 0 0 325.359 1.817 10 0 EDAERN O=C(Nc1ccc(Cl)cc1F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187980789 534828633 /nfs/dbraw/zinc/82/86/33/534828633.db2.gz OPZBRWDZJOXCBN-UHFFFAOYSA-N 0 0 339.754 1.155 10 0 EDAERN C/C(=C\C(=O)N1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000172349544 527513792 /nfs/dbraw/zinc/51/37/92/527513792.db2.gz VNXREWMXBHXKDG-FYWRMAATSA-N 0 0 348.410 1.876 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000158659123 527718994 /nfs/dbraw/zinc/71/89/94/527718994.db2.gz HPNIZUOPNNUWGD-HUUCEWRRSA-N 0 0 337.395 1.955 10 0 EDAERN CCC[C@@H]1C(=O)N[C@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168876193 527732625 /nfs/dbraw/zinc/73/26/25/527732625.db2.gz NYMWHXLXVGDVMS-BXKDBHETSA-N 0 0 340.221 1.860 10 0 EDAERN CC(C)Oc1ccc(C2=C(N(C)CCO)C(=O)N(C(C)C)C2=O)cc1 ZINC000170084455 528146613 /nfs/dbraw/zinc/14/66/13/528146613.db2.gz CMXKQMVAVXEZEE-UHFFFAOYSA-N 0 0 346.427 1.886 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000187613092 528363648 /nfs/dbraw/zinc/36/36/48/528363648.db2.gz DLEZIUVDGUZTDW-QEJZJMRPSA-N 0 0 336.457 1.541 10 0 EDAERN CCC(=O)Nc1ccc(NC(=O)N2CCN(C[C@@H](O)CC)CC2)cc1 ZINC000181170257 528432487 /nfs/dbraw/zinc/43/24/87/528432487.db2.gz WPSDQKCDYYRVAG-INIZCTEOSA-N 0 0 348.447 1.956 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000184274942 528485129 /nfs/dbraw/zinc/48/51/29/528485129.db2.gz ANTZKKOCNYGZKV-KRWDZBQOSA-N 0 0 347.459 1.757 10 0 EDAERN CCCNc1nc(-n2cccn2)nc(-n2cc(Br)cn2)n1 ZINC000157751922 528573875 /nfs/dbraw/zinc/57/38/75/528573875.db2.gz MNJYGJUHDLKMOG-UHFFFAOYSA-N 0 0 349.196 1.827 10 0 EDAERN CCOCCC1(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCC1 ZINC000133061075 528627059 /nfs/dbraw/zinc/62/70/59/528627059.db2.gz IOOQCEZEPXZCON-MRXNPFEDSA-N 0 0 347.459 1.979 10 0 EDAERN CC(C)n1ncc(Br)c1[C@@H](O)[C@H](C)S(C)(=O)=O ZINC000159010502 528651426 /nfs/dbraw/zinc/65/14/26/528651426.db2.gz XMZODLFEGGCDLS-XVKPBYJWSA-N 0 0 325.228 1.693 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)Cc1nc(-c2cccs2)no1 ZINC000176500869 528703547 /nfs/dbraw/zinc/70/35/47/528703547.db2.gz ICRPTCFRUYUKIM-JOCHJYFZSA-N 0 0 338.418 1.814 10 0 EDAERN CC[N@H+](Cc1ccc(Br)cn1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000167709122 528770271 /nfs/dbraw/zinc/77/02/71/528770271.db2.gz KNJFJMIEBPCYKI-NWDGAFQWSA-N 0 0 329.194 1.766 10 0 EDAERN CC(C)N(C)C(=O)CS(=O)(=O)c1ccc(Br)cc1N ZINC000165765044 528800422 /nfs/dbraw/zinc/80/04/22/528800422.db2.gz QCTKBJVQWKNOAA-UHFFFAOYSA-N 0 0 349.250 1.672 10 0 EDAERN CC(C)[C@@H]1N[C@@H](c2ccsc2)N(CCCS(C)(=O)=O)C1=O ZINC000143573034 528815731 /nfs/dbraw/zinc/81/57/31/528815731.db2.gz ORMMFBUBRBQXLL-QWHCGFSZSA-N 0 0 330.475 1.638 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)Nc3ncnn3C)CC2)cn1 ZINC000181279142 528842176 /nfs/dbraw/zinc/84/21/76/528842176.db2.gz PFFJGXAHRRHEAM-UHFFFAOYSA-N 0 0 346.439 1.161 10 0 EDAERN CCCn1cc(S(=O)(=O)N2CCS[C@@H](C)[C@@H]2C)cc1CO ZINC000156972258 528849261 /nfs/dbraw/zinc/84/92/61/528849261.db2.gz RHVAWNSYMPRBBI-RYUDHWBXSA-N 0 0 332.491 1.905 10 0 EDAERN CC(C)(C(=O)N1CCN(Cc2noc(CN)n2)CC1)c1ccccc1 ZINC000262242205 535022594 /nfs/dbraw/zinc/02/25/94/535022594.db2.gz PGLTVSNZUWSXSP-UHFFFAOYSA-N 0 0 343.431 1.150 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111620465 535026061 /nfs/dbraw/zinc/02/60/61/535026061.db2.gz DEJQHVKDLFCKFI-LBPRGKRZSA-N 0 0 325.434 1.740 10 0 EDAERN CCC1(CC)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C[C@@H]1OC ZINC000246937816 535273643 /nfs/dbraw/zinc/27/36/43/535273643.db2.gz HMDZUZDXSIWOPO-XHSDSOJGSA-N 0 0 347.459 1.976 10 0 EDAERN CC1(C)CN(C(=O)c2cnn3ccncc23)C[C@@]2(CCCOC2)O1 ZINC000329356669 535351669 /nfs/dbraw/zinc/35/16/69/535351669.db2.gz WIOIODIWSKEQTJ-QGZVFWFLSA-N 0 0 330.388 1.530 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cnn(C)c2)C12CCCC2 ZINC000119109002 535449154 /nfs/dbraw/zinc/44/91/54/535449154.db2.gz FWJQOEQCCAKDHI-UONOGXRCSA-N 0 0 334.420 1.555 10 0 EDAERN CCOCCCNC(=O)C1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000191694137 535529957 /nfs/dbraw/zinc/52/99/57/535529957.db2.gz BSKXXKJKRYQHEB-HOCLYGCPSA-N 0 0 340.464 1.583 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C[C@H]1C ZINC000247261444 535599756 /nfs/dbraw/zinc/59/97/56/535599756.db2.gz YPRGYNZMMZIKFW-KGLIPLIRSA-N 0 0 327.469 1.106 10 0 EDAERN CCOCCNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246797782 535618479 /nfs/dbraw/zinc/61/84/79/535618479.db2.gz JRQORGIONNWYHP-UONOGXRCSA-N 0 0 341.477 1.846 10 0 EDAERN CCS(=O)(=O)N1CC(CNC(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194280013 535661503 /nfs/dbraw/zinc/66/15/03/535661503.db2.gz IMKYHSFNVMARCA-UHFFFAOYSA-N 0 0 336.417 1.571 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1nc[nH]n1 ZINC000246245043 535866427 /nfs/dbraw/zinc/86/64/27/535866427.db2.gz SFLGENPKSHJUQB-OUCADQQQSA-N 0 0 329.404 1.827 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CCO)Cc1ccccc1)CC2 ZINC000114975685 536162024 /nfs/dbraw/zinc/16/20/24/536162024.db2.gz IINJDWGFHTZGLR-OAHLLOKOSA-N 0 0 343.431 1.359 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)c2ncc(C)s2)C[C@@H]1C ZINC000248425860 536869569 /nfs/dbraw/zinc/86/95/69/536869569.db2.gz JSGBKLKUURDYKF-STQMWFEESA-N 0 0 340.493 1.917 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CCC[C@@H]2C(C)(C)O)cn1 ZINC000333053599 536946203 /nfs/dbraw/zinc/94/62/03/536946203.db2.gz QWNFMROIIKDLKL-SQWLQELKSA-N 0 0 349.431 1.865 10 0 EDAERN O=C(c1cccc(-n2cccn2)c1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794114800 580875346 /nfs/dbraw/zinc/87/53/46/580875346.db2.gz VBYQCZWKHJCJRB-QGZVFWFLSA-N 0 0 338.371 1.114 10 0 EDAERN CCn1nccc1NC(=O)[C@H]1CC[C@@H](C(N)=O)N1Cc1ccccc1 ZINC000888095147 591025492 /nfs/dbraw/zinc/02/54/92/591025492.db2.gz KBEJYNXAUWQARM-LSDHHAIUSA-N 0 0 341.415 1.360 10 0 EDAERN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cccc(=O)n2C)cn1 ZINC000888095290 591025976 /nfs/dbraw/zinc/02/59/76/591025976.db2.gz WSNZYNMDNNEXPO-DZGCQCFKSA-N 0 0 330.388 1.332 10 0 EDAERN CN(C[C@@H]1CCc2nccn2C1)C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000897473314 591475658 /nfs/dbraw/zinc/47/56/58/591475658.db2.gz UZESMFWVQINODJ-BBRMVZONSA-N 0 0 338.411 1.779 10 0 EDAERN O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)N1CCC(c2cc[nH]n2)CC1 ZINC000896490260 591477472 /nfs/dbraw/zinc/47/74/72/591477472.db2.gz UJLLWWPSUAMMOE-ZBFHGGJFSA-N 0 0 349.431 1.816 10 0 EDAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H](C)c1cc(=O)[nH][nH]1 ZINC000898876041 591576977 /nfs/dbraw/zinc/57/69/77/591576977.db2.gz QYZRFEJQILDPOR-QMMMGPOBSA-N 0 0 345.325 1.911 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000104792589 595110137 /nfs/dbraw/zinc/11/01/37/595110137.db2.gz ZIKUFEVNANMICW-INIZCTEOSA-N 0 0 329.404 1.002 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 ZINC000117061101 596229909 /nfs/dbraw/zinc/22/99/09/596229909.db2.gz LUVAPZSRFHLVFK-QHCPKHFHSA-N 0 0 340.445 1.389 10 0 EDAERN COCCN1CCN(C(=O)Nc2cc3ccccc3nn2)C[C@H]1C ZINC000888605245 596961468 /nfs/dbraw/zinc/96/14/68/596961468.db2.gz TTWJIMRGJLGNJN-CYBMUJFWSA-N 0 0 329.404 1.814 10 0 EDAERN CC[C@H]1CN(C(=O)[C@@H](CC(C)C)NC(=O)OC)CCN1CC(F)F ZINC000125124385 597160403 /nfs/dbraw/zinc/16/04/03/597160403.db2.gz PZPOUKSUQZQAJX-QWHCGFSZSA-N 0 0 349.422 1.945 10 0 EDAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N(Cc1cccs1)C1CC1 ZINC000126578842 597533365 /nfs/dbraw/zinc/53/33/65/597533365.db2.gz ARBKJGKRSZUORX-LLVKDONJSA-N 0 0 328.459 1.016 10 0 EDAERN COC(=O)[C@H]1C[C@H]1C(=O)OCCNc1ccc(C(F)(F)F)cn1 ZINC000153892623 696637221 /nfs/dbraw/zinc/63/72/21/696637221.db2.gz QDJMZRWRCRCRFD-VHSXEESVSA-N 0 0 332.278 1.865 10 0 EDAERN C[C@H](OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[C@H]1CCOC1 ZINC000175252826 697709475 /nfs/dbraw/zinc/70/94/75/697709475.db2.gz KGHDWBPTNGSLFK-RYUDHWBXSA-N 0 0 332.356 1.048 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c(Cl)n1 ZINC000185466481 702056724 /nfs/dbraw/zinc/05/67/24/702056724.db2.gz XVRSOHNPKMHRMU-SNVBAGLBSA-N 0 0 331.825 1.285 10 0 EDAERN Cc1nc(S(=O)(=O)NC2(C(N)=S)CCCCCC2)cn1C ZINC000050253932 214052407 /nfs/dbraw/zinc/05/24/07/214052407.db2.gz ZEJVNRKGYWBCTD-UHFFFAOYSA-N 0 0 330.479 1.386 10 0 EDAERN Cc1nc(S(=O)(=O)Nc2ccc(N)cc2Br)cn1C ZINC000050252786 214051957 /nfs/dbraw/zinc/05/19/57/214051957.db2.gz YPOMTEAOWANKAX-UHFFFAOYSA-N 0 0 345.222 1.874 10 0 EDAERN [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC000050251458 214052270 /nfs/dbraw/zinc/05/22/70/214052270.db2.gz BZIHLFHERCCHQP-QMMMGPOBSA-N 0 0 342.193 1.960 10 0 EDAERN Nc1ccc(S(=O)(=O)NCc2cccc(Br)c2)cn1 ZINC000050692170 214066652 /nfs/dbraw/zinc/06/66/52/214066652.db2.gz AFNGEUXNXSHWGR-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)NCC(=O)NC(C)C ZINC000050755927 214069774 /nfs/dbraw/zinc/06/97/74/214069774.db2.gz RCYACCKOXCGJTR-UHFFFAOYSA-N 0 0 343.225 1.530 10 0 EDAERN CCNc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc(Cl)n1 ZINC000050787018 214070507 /nfs/dbraw/zinc/07/05/07/214070507.db2.gz CRFHOALDAHOHTP-CYBMUJFWSA-N 0 0 331.825 1.474 10 0 EDAERN COCC[NH2+][C@@H](C(=O)[O-])c1cc(Br)c2c(c1)OCCO2 ZINC000053260235 214174295 /nfs/dbraw/zinc/17/42/95/214174295.db2.gz FNOWHOGYRWFRFL-LLVKDONJSA-N 0 0 346.177 1.582 10 0 EDAERN NC(=S)CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000054137302 214219291 /nfs/dbraw/zinc/21/92/91/214219291.db2.gz LPYTYKHCVKHZRJ-UHFFFAOYSA-N 0 0 337.264 1.794 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccccc1Br)C(N)=S ZINC000054154334 214220312 /nfs/dbraw/zinc/22/03/12/214220312.db2.gz KGANBOFMNCLGLA-ZETCQYMHSA-N 0 0 337.264 1.650 10 0 EDAERN CC[C@]1(C)C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168903856 529391631 /nfs/dbraw/zinc/39/16/31/529391631.db2.gz IUQBWTVCGFZIOC-CYBMUJFWSA-N 0 0 326.194 1.471 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(F)c(F)c3)CCO2)[nH]1 ZINC000173684981 231005379 /nfs/dbraw/zinc/00/53/79/231005379.db2.gz HOSGPHHAGIMRDY-CYBMUJFWSA-N 0 0 337.330 1.403 10 0 EDAERN C[C@H](CO)NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000125855162 222616973 /nfs/dbraw/zinc/61/69/73/222616973.db2.gz NBRRBHQRMVQIRV-KEYYUXOJSA-N 0 0 336.432 1.992 10 0 EDAERN Nc1nc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)cs1 ZINC000055272134 214299045 /nfs/dbraw/zinc/29/90/45/214299045.db2.gz SFSJDVIQIDABKS-UHFFFAOYSA-N 0 0 346.821 1.207 10 0 EDAERN C[C@H]1CN(C(=O)COc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000173848925 231051828 /nfs/dbraw/zinc/05/18/28/231051828.db2.gz GRTPZJQIGGGPRQ-XJKSGUPXSA-N 0 0 338.835 1.898 10 0 EDAERN O=C(NC[C@H]1CCc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173909233 231067308 /nfs/dbraw/zinc/06/73/08/231067308.db2.gz PRNGVMDSXHITFA-IAGOWNOFSA-N 0 0 329.444 1.833 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)N1CCc2sccc2C1 ZINC000173937107 231074661 /nfs/dbraw/zinc/07/46/61/231074661.db2.gz GVGOKUKLOZYEAV-OAHLLOKOSA-N 0 0 335.473 1.039 10 0 EDAERN COC(=O)Cn1cc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)cn1 ZINC000055915753 214347238 /nfs/dbraw/zinc/34/72/38/214347238.db2.gz UGBXNRAMLFQYKB-UHFFFAOYSA-N 0 0 341.371 1.894 10 0 EDAERN CC[C@@H](C)[C@@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168901606 529406179 /nfs/dbraw/zinc/40/61/79/529406179.db2.gz RRKNFNILJYFTEN-NOZJJQNGSA-N 0 0 340.221 1.717 10 0 EDAERN Cc1n[nH]c(C)c1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000056937279 214396674 /nfs/dbraw/zinc/39/66/74/214396674.db2.gz ODRQQIIVZTUTGU-UHFFFAOYSA-N 0 0 334.445 1.679 10 0 EDAERN CC[C@@H](C)c1ccc(S(=O)(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000187714620 529430549 /nfs/dbraw/zinc/43/05/49/529430549.db2.gz AYQLVBZHOMGGEC-GFCCVEGCSA-N 0 0 340.445 1.336 10 0 EDAERN CCc1nsc(N2CCCN(Cc3nnc(C)n3CC)CC2)n1 ZINC000174517204 231229440 /nfs/dbraw/zinc/22/94/40/231229440.db2.gz OJASWIAMAJSMMJ-UHFFFAOYSA-N 0 0 335.481 1.733 10 0 EDAERN NS(=O)(=O)c1ccc(CNc2nc(-c3ccccc3)no2)cc1 ZINC000057354019 214421306 /nfs/dbraw/zinc/42/13/06/214421306.db2.gz HMQDVEUWTFRCHL-UHFFFAOYSA-N 0 0 330.369 1.996 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000174648157 231267749 /nfs/dbraw/zinc/26/77/49/231267749.db2.gz YITRDIZIYGTUSY-LSDHHAIUSA-N 0 0 346.431 1.495 10 0 EDAERN O=C(NCc1nccn1C(F)F)N1CCN(Cc2ccon2)CC1 ZINC000174585582 231249759 /nfs/dbraw/zinc/24/97/59/231249759.db2.gz RPMVSOCJJFCZKJ-UHFFFAOYSA-N 0 0 340.334 1.294 10 0 EDAERN COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000174589878 231250980 /nfs/dbraw/zinc/25/09/80/231250980.db2.gz OEXDQKNCNUHOEG-ZDUSSCGKSA-N 0 0 344.415 1.536 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccsc3)C2=O)n(C)n1 ZINC000175020149 231368576 /nfs/dbraw/zinc/36/85/76/231368576.db2.gz RXKIPRQMSJSTID-CYBMUJFWSA-N 0 0 332.429 1.644 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000175087446 231382238 /nfs/dbraw/zinc/38/22/38/231382238.db2.gz PBZAHYMZHQQANY-CYBMUJFWSA-N 0 0 332.404 1.600 10 0 EDAERN CCc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1S(C)(=O)=O ZINC000154621055 529608848 /nfs/dbraw/zinc/60/88/48/529608848.db2.gz VQVLJGNKTDBIMA-ZDUSSCGKSA-N 0 0 348.428 1.509 10 0 EDAERN NS(=O)(=O)c1ccc(NC(=O)CC2CC2)c(Br)c1 ZINC000049731348 214030332 /nfs/dbraw/zinc/03/03/32/214030332.db2.gz CYVAANUCOQKJNA-UHFFFAOYSA-N 0 0 333.207 1.835 10 0 EDAERN O=C(NCCc1nn2c(nnc2C(F)(F)F)s1)c1ccncc1 ZINC000049735417 214030336 /nfs/dbraw/zinc/03/03/36/214030336.db2.gz FVODQXAKDIBJKO-UHFFFAOYSA-N 0 0 342.306 1.572 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCNc1ccc(C)cn1 ZINC000175676160 231491662 /nfs/dbraw/zinc/49/16/62/231491662.db2.gz TVEKVZOHPDZFKW-CQSZACIVSA-N 0 0 343.435 1.926 10 0 EDAERN Cc1cc(C(=O)Nc2ccccc2F)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049683127 214026471 /nfs/dbraw/zinc/02/64/71/214026471.db2.gz GNNIYOIOEJBYTH-LLVKDONJSA-N 0 0 337.376 1.943 10 0 EDAERN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC(=O)N1S(C)(=O)=O ZINC000049676795 214026260 /nfs/dbraw/zinc/02/62/60/214026260.db2.gz HITYIYIGQZGXOM-NSHDSACASA-N 0 0 330.793 1.538 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c(Cl)c1 ZINC000176098150 231573438 /nfs/dbraw/zinc/57/34/38/231573438.db2.gz YETJQAIYSYLUGJ-LBPRGKRZSA-N 0 0 333.779 1.830 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCOCc2ccccc2)CC1 ZINC000181888696 529697723 /nfs/dbraw/zinc/69/77/23/529697723.db2.gz ILOIXRFHBMSFNS-KRWDZBQOSA-N 0 0 335.448 1.301 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccccc3NC(C)=O)CCO2)[nH]1 ZINC000155227214 529700190 /nfs/dbraw/zinc/70/01/90/529700190.db2.gz BOLHAXGZUJBRBP-HNNXBMFYSA-N 0 0 329.404 1.899 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCc3ccccn3)CCO2)[nH]1 ZINC000178075119 529699089 /nfs/dbraw/zinc/69/90/89/529699089.db2.gz PZMCBWHXGHHFFN-ZDUSSCGKSA-N 0 0 330.392 1.088 10 0 EDAERN CC[C@H](O)CN1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000180297020 529701612 /nfs/dbraw/zinc/70/16/12/529701612.db2.gz DSWAZHCSXXVYGZ-MZTACXPWSA-N 0 0 342.436 1.515 10 0 EDAERN O=C(Nc1ccccc1)[C@H]1C=CC([N+](=O)[O-])=C([N+](=O)[O-])[C@@]1(O)Cl ZINC000098090989 219083184 /nfs/dbraw/zinc/08/31/84/219083184.db2.gz DWTYPNIVYUDLQB-NOZJJQNGSA-N 0 0 339.691 1.504 10 0 EDAERN CCOC(=O)C(O)=CC(=O)c1ccc(I)cc1 ZINC000100025956 219088827 /nfs/dbraw/zinc/08/88/27/219088827.db2.gz RKGTZHSWOLUVCR-UHFFFAOYSA-N 0 0 346.120 1.996 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccn2ccnc2c1 ZINC000177971886 529749814 /nfs/dbraw/zinc/74/98/14/529749814.db2.gz UEBRHDOQGNSTPG-ZDUSSCGKSA-N 0 0 339.403 1.823 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000151083950 529750277 /nfs/dbraw/zinc/75/02/77/529750277.db2.gz URKXDOZRFJGULX-LLVKDONJSA-N 0 0 330.392 1.025 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000151274238 529750672 /nfs/dbraw/zinc/75/06/72/529750672.db2.gz MXBDKBIKOYQFRI-CYBMUJFWSA-N 0 0 348.428 1.509 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)CSc2n[nH]c(C)n2)C1 ZINC000174659297 529760859 /nfs/dbraw/zinc/76/08/59/529760859.db2.gz LKRXVWVZUVMPKT-LBPRGKRZSA-N 0 0 334.449 1.828 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[C@H](CO)CC1)CC2 ZINC000153773369 539357921 /nfs/dbraw/zinc/35/79/21/539357921.db2.gz LXKPYDVMWFEABJ-HZSPNIEDSA-N 0 0 335.452 1.567 10 0 EDAERN CN(C[C@@H]1CCCO1)S(=O)(=O)Cc1ccccc1C(N)=S ZINC000048950271 213972860 /nfs/dbraw/zinc/97/28/60/213972860.db2.gz VCPQQVZKUASYMD-LBPRGKRZSA-N 0 0 328.459 1.261 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000166883231 529901611 /nfs/dbraw/zinc/90/16/11/529901611.db2.gz ZVVRRPJIPURWQT-NSHDSACASA-N 0 0 343.305 1.381 10 0 EDAERN C[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)N(C)c1ccccc1 ZINC000177355388 231868759 /nfs/dbraw/zinc/86/87/59/231868759.db2.gz YXIYPFKAOBQFES-UKRRQHHQSA-N 0 0 328.420 1.937 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](OC)c1cccc(Cl)c1 ZINC000159260572 529923461 /nfs/dbraw/zinc/92/34/61/529923461.db2.gz PIHQUTPBOKPFGQ-KGLIPLIRSA-N 0 0 339.823 1.948 10 0 EDAERN COCCn1cc2c(=O)n(-c3ccccc3C)nc-2c(C(=O)OC)c1 ZINC000101438802 219127755 /nfs/dbraw/zinc/12/77/55/219127755.db2.gz ZNZHXSMVMLDSQM-UHFFFAOYSA-N 0 0 341.367 1.880 10 0 EDAERN COc1ccccc1NC(=O)Cn1cc(-c2nnc(C)o2)ccc1=O ZINC000065242077 214851735 /nfs/dbraw/zinc/85/17/35/214851735.db2.gz YYXOZMPZTUAMQJ-UHFFFAOYSA-N 0 0 340.339 1.854 10 0 EDAERN Cc1c(N)cnc(-n2cc(S(C)(=O)=O)cn2)c1Br ZINC000725252097 539388859 /nfs/dbraw/zinc/38/88/59/539388859.db2.gz PSRHTHWQRYJLRD-UHFFFAOYSA-N 0 0 331.195 1.324 10 0 EDAERN CN(c1cc2c(cc1Br)C(=O)C(=O)N2)[C@@H]1CCOC1 ZINC000159702936 530034698 /nfs/dbraw/zinc/03/46/98/530034698.db2.gz ICBABHGXKATISY-SSDOTTSWSA-N 0 0 325.162 1.809 10 0 EDAERN CN1C(=O)C[C@@H](NCc2ccc(Br)cc2Cl)C1=O ZINC000168097492 530044687 /nfs/dbraw/zinc/04/46/87/530044687.db2.gz NURWYXVMVNSPCG-SNVBAGLBSA-N 0 0 331.597 1.949 10 0 EDAERN CC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000066072630 215006700 /nfs/dbraw/zinc/00/67/00/215006700.db2.gz QVSCYESTNXAYTH-UHFFFAOYSA-N 0 0 326.356 1.795 10 0 EDAERN COc1nccnc1N1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000097942343 539574057 /nfs/dbraw/zinc/57/40/57/539574057.db2.gz QLMBZGWCCTVFKJ-LLVKDONJSA-N 0 0 342.403 1.096 10 0 EDAERN COc1ccc(Br)cc1[C@H](O)[C@@H]1CCS(=O)(=O)C1 ZINC000043303669 213574810 /nfs/dbraw/zinc/57/48/10/213574810.db2.gz GKRGCIBQOIFPFA-PRHODGIISA-N 0 0 335.219 1.926 10 0 EDAERN c1ncn([C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)n1 ZINC000179465318 233063810 /nfs/dbraw/zinc/06/38/10/233063810.db2.gz GLPPNFLSKIETPS-ZDUSSCGKSA-N 0 0 334.449 1.408 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H](C)C2 ZINC000248601752 539689552 /nfs/dbraw/zinc/68/95/52/539689552.db2.gz UQEYDVGTXLKUIR-APHBMKBZSA-N 0 0 336.457 1.769 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000103362610 219293384 /nfs/dbraw/zinc/29/33/84/219293384.db2.gz DXMHFEYOLPWWBN-ZDUSSCGKSA-N 0 0 342.461 1.413 10 0 EDAERN COc1ccc(CC(=O)N2CCCN(C(=O)C(C)C)CC2)c(OC)c1 ZINC000068189567 215288409 /nfs/dbraw/zinc/28/84/09/215288409.db2.gz OGDWJWFBGYHRAH-UHFFFAOYSA-N 0 0 348.443 1.963 10 0 EDAERN CC(=O)NCCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000041310101 213439134 /nfs/dbraw/zinc/43/91/34/213439134.db2.gz CLHZCKRCYMXURF-UHFFFAOYSA-N 0 0 341.367 1.947 10 0 EDAERN Cn1ncc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1-n1cccc1 ZINC000127145227 222800623 /nfs/dbraw/zinc/80/06/23/222800623.db2.gz HJPYSPZHKZVCED-CQSZACIVSA-N 0 0 339.403 1.355 10 0 EDAERN CCCS(=O)(=O)c1ccccc1N[C@@H]1CCCS(=O)(=O)C1 ZINC000069145030 215364233 /nfs/dbraw/zinc/36/42/33/215364233.db2.gz NFVVIGOYDUSGMI-GFCCVEGCSA-N 0 0 331.459 1.859 10 0 EDAERN CC(C)(NS(=O)(=O)c1c(Cl)cc(N)cc1Cl)C(N)=O ZINC000040673952 213367083 /nfs/dbraw/zinc/36/70/83/213367083.db2.gz QEBJIRKLBDABOC-UHFFFAOYSA-N 0 0 326.205 1.118 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(F)c1 ZINC000180246680 233804115 /nfs/dbraw/zinc/80/41/15/233804115.db2.gz MBYJNLFDHJFNPW-XJKSGUPXSA-N 0 0 349.406 1.252 10 0 EDAERN Cc1ccc(C(=O)N2CCO[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000040635383 213362224 /nfs/dbraw/zinc/36/22/24/213362224.db2.gz COFTYINEGBNQBX-LBPRGKRZSA-N 0 0 326.418 1.106 10 0 EDAERN CSc1nnc(N)n1CC(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000001922471 209804949 /nfs/dbraw/zinc/80/49/49/209804949.db2.gz SYRAQAVSGLKCIS-UHFFFAOYSA-N 0 0 326.407 1.188 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cnn4c3CCCC4)CCO2)n1 ZINC000127406859 222836257 /nfs/dbraw/zinc/83/62/57/222836257.db2.gz NAJFGJOQZLMNIF-OAHLLOKOSA-N 0 0 343.431 1.574 10 0 EDAERN CN1CC[C@H](NC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)C1=O ZINC000127895465 222893987 /nfs/dbraw/zinc/89/39/87/222893987.db2.gz IKLKASPLUOOCLW-DDTOSNHZSA-N 0 0 339.342 1.013 10 0 EDAERN COc1ccc2ncc(C(=O)Nc3ccc(C(N)=O)cc3)c(O)c2c1 ZINC000039962786 213246189 /nfs/dbraw/zinc/24/61/89/213246189.db2.gz HTKNYXNXYMUEME-UHFFFAOYSA-N 0 0 337.335 1.888 10 0 EDAERN CC[C@H](C)OC(=O)c1sc2ncn(CC(=O)OC)c(=O)c2c1C ZINC000001281888 209722214 /nfs/dbraw/zinc/72/22/14/209722214.db2.gz KGSSPTDXMVEKOG-QMMMGPOBSA-N 0 0 338.385 1.895 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N[C@H]1CCCOCC1 ZINC000181627595 295895085 /nfs/dbraw/zinc/89/50/85/295895085.db2.gz RONWMWWUSCZCNY-JSGCOSHPSA-N 0 0 338.429 1.773 10 0 EDAERN CCN1CCc2c(sc(NC(=O)c3c(C)cnn3C)c2C(N)=O)C1 ZINC000038507125 213212605 /nfs/dbraw/zinc/21/26/05/213212605.db2.gz DHOZEXPGVPONNC-UHFFFAOYSA-N 0 0 347.444 1.519 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)C[C@@H]1N1CCOCC1 ZINC000177835151 540106671 /nfs/dbraw/zinc/10/66/71/540106671.db2.gz GLYFMUNFJSEMFZ-WFASDCNBSA-N 0 0 331.420 1.538 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000180584320 540121695 /nfs/dbraw/zinc/12/16/95/540121695.db2.gz AWYWPMYEWWMHMJ-JTQLQIEISA-N 0 0 338.389 1.805 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC2CCC(OC(C)C)CC2)CC1 ZINC000182037257 540129413 /nfs/dbraw/zinc/12/94/13/540129413.db2.gz WZZCQULKAZNMJX-AQFXKWCLSA-N 0 0 341.496 1.821 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCn1ccnn1 ZINC000182919153 540134636 /nfs/dbraw/zinc/13/46/36/540134636.db2.gz YFBOJWCIGHUCDE-GDBMZVCRSA-N 0 0 343.431 1.629 10 0 EDAERN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000186105337 540150411 /nfs/dbraw/zinc/15/04/11/540150411.db2.gz AHQYAKUZSOASFL-OCCSQVGLSA-N 0 0 349.435 1.389 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cnc(-c2ccccc2)nc1)[C@@H]1CCCO1 ZINC000186932241 540152793 /nfs/dbraw/zinc/15/27/93/540152793.db2.gz KFUNKVWSOTWNKX-DOMZBBRYSA-N 0 0 333.413 1.989 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000189036867 540163066 /nfs/dbraw/zinc/16/30/66/540163066.db2.gz NAYWUDNAIQEIBC-BRWVUGGUSA-N 0 0 348.468 1.593 10 0 EDAERN OC[C@H]1C[C@H](O)CN1Cc1cc2c(cc1Br)OCO2 ZINC000184002200 235283033 /nfs/dbraw/zinc/28/30/33/235283033.db2.gz QUNXYBSOVDPLEB-ZJUUUORDSA-N 0 0 330.178 1.105 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1coc(C2CCC2)n1 ZINC000194700960 540186030 /nfs/dbraw/zinc/18/60/30/540186030.db2.gz VLSYHYCPRNDUTR-NSHDSACASA-N 0 0 331.376 1.945 10 0 EDAERN O=C(Nc1nc2ccccn2n1)N1CCC(Cn2cccn2)CC1 ZINC000184322727 235367130 /nfs/dbraw/zinc/36/71/30/235367130.db2.gz LNPBMAAQZFQZOE-UHFFFAOYSA-N 0 0 325.376 1.870 10 0 EDAERN COC(=O)CN1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1=O ZINC000095936774 291084089 /nfs/dbraw/zinc/08/40/89/291084089.db2.gz LZKTVHYDCARPNA-INIZCTEOSA-N 0 0 326.393 1.552 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)o1 ZINC000048984564 138128655 /nfs/dbraw/zinc/12/86/55/138128655.db2.gz VBEIDNYLQOUDEP-LLVKDONJSA-N 0 0 329.356 1.432 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000054628726 138144053 /nfs/dbraw/zinc/14/40/53/138144053.db2.gz HWIHMPGVKPKVQT-GFCCVEGCSA-N 0 0 339.355 1.295 10 0 EDAERN COC(=O)Cn1cc(NC(=O)c2cc(Cl)nnc2Cl)cn1 ZINC000038030410 213193973 /nfs/dbraw/zinc/19/39/73/213193973.db2.gz PNTDPTVFZOKICS-UHFFFAOYSA-N 0 0 330.131 1.405 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccc(Cl)cc1 ZINC000074174686 138226743 /nfs/dbraw/zinc/22/67/43/138226743.db2.gz JWHYUFWESTZSSX-SECBINFHSA-N 0 0 341.820 1.817 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)c2cc(OC(F)F)n(C)n2)cn1 ZINC000185467594 235673955 /nfs/dbraw/zinc/67/39/55/235673955.db2.gz NFVOXVCBJRLMQT-LLVKDONJSA-N 0 0 325.319 1.732 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCS(=O)(=O)CC(C)C ZINC000088196379 138272072 /nfs/dbraw/zinc/27/20/72/138272072.db2.gz QQSVNISZMVHCDU-LBPRGKRZSA-N 0 0 342.465 1.253 10 0 EDAERN COC(=O)Cn1cc(NC(=O)CSCc2cccs2)cn1 ZINC000038029934 213192595 /nfs/dbraw/zinc/19/25/95/213192595.db2.gz DJCQLRWLKBHGOH-UHFFFAOYSA-N 0 0 325.415 1.990 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000092228479 138286984 /nfs/dbraw/zinc/28/69/84/138286984.db2.gz WQODAWYILNJKMQ-KRWDZBQOSA-N 0 0 339.395 1.625 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000092229597 138287066 /nfs/dbraw/zinc/28/70/66/138287066.db2.gz AIQMNLUTLQYGEE-KRWDZBQOSA-N 0 0 339.395 1.625 10 0 EDAERN CC(=O)c1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)n(C)c1 ZINC000110946443 138307528 /nfs/dbraw/zinc/30/75/28/138307528.db2.gz BZUADWGOUVOVTI-UHFFFAOYSA-N 0 0 345.403 1.267 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)CCC1CCCC1)CC2 ZINC000114863696 138310611 /nfs/dbraw/zinc/31/06/11/138310611.db2.gz ORNIXXHNCCHBGL-AWEZNQCLSA-N 0 0 347.463 1.358 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)CCC1CCCC1)CC2 ZINC000114863692 138310703 /nfs/dbraw/zinc/31/07/03/138310703.db2.gz ORNIXXHNCCHBGL-CQSZACIVSA-N 0 0 347.463 1.358 10 0 EDAERN Cc1cccc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000123989372 138323014 /nfs/dbraw/zinc/32/30/14/138323014.db2.gz JCXZPALLIGSQHX-NSHDSACASA-N 0 0 334.401 1.920 10 0 EDAERN Cn1nc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1OC(F)F ZINC000185879873 235776321 /nfs/dbraw/zinc/77/63/21/235776321.db2.gz OIFPUIKXAZTHJY-MEBBXXQBSA-N 0 0 329.347 1.789 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H]1CCCO1 ZINC000125504622 138334491 /nfs/dbraw/zinc/33/44/91/138334491.db2.gz XFPHNYFGPGFIEJ-DOMZBBRYSA-N 0 0 328.372 1.495 10 0 EDAERN NC(=O)NCc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000125827492 138336440 /nfs/dbraw/zinc/33/64/40/138336440.db2.gz XYKCYGYXPCRNKW-UHFFFAOYSA-N 0 0 327.388 1.598 10 0 EDAERN C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1nnc2n1CCCC2 ZINC000129985821 138339433 /nfs/dbraw/zinc/33/94/33/138339433.db2.gz HUIDYTBPAWITSE-JTQLQIEISA-N 0 0 338.371 1.342 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CO)CC(C)(C)C ZINC000130196335 138340314 /nfs/dbraw/zinc/34/03/14/138340314.db2.gz ZIVLADDGNBLULW-NEPJUHHUSA-N 0 0 339.440 1.356 10 0 EDAERN COc1c(CN2CCN(Cc3cccc(F)c3)C(=O)C2)c(C)nn1C ZINC000130832097 138348259 /nfs/dbraw/zinc/34/82/59/138348259.db2.gz QHHJQBFSDZJQQF-UHFFFAOYSA-N 0 0 346.406 1.721 10 0 EDAERN CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000131341631 138357545 /nfs/dbraw/zinc/35/75/45/138357545.db2.gz NCRIMGFZOJUJGB-SJORKVTESA-N 0 0 335.492 1.872 10 0 EDAERN CCS(=O)(=O)CCN1c2cccc(Br)c2C(=O)C1=O ZINC000037371517 213141906 /nfs/dbraw/zinc/14/19/06/213141906.db2.gz WRVOOKCVOSVFKR-UHFFFAOYSA-N 0 0 346.202 1.413 10 0 EDAERN O=C(NCC1(c2ccc(F)cc2F)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000134147537 138403252 /nfs/dbraw/zinc/40/32/52/138403252.db2.gz OKCWNTDNHCZALA-GFCCVEGCSA-N 0 0 347.369 1.902 10 0 EDAERN COc1cc(CO)cc(Br)c1OC[C@@H]1CNC(=O)O1 ZINC000036815323 213120371 /nfs/dbraw/zinc/12/03/71/213120371.db2.gz LVDHAJXVGSIZKM-QMMMGPOBSA-N 0 0 332.150 1.437 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)N[C@@H](C)C(C)C)CC2)n1 ZINC000106153945 219618056 /nfs/dbraw/zinc/61/80/56/219618056.db2.gz YUVIBRPJRPPEFO-HNNXBMFYSA-N 0 0 349.479 1.466 10 0 EDAERN COC(=O)CCCCCCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000151831428 138462354 /nfs/dbraw/zinc/46/23/54/138462354.db2.gz GTQYQRJHCDPPMN-CYBMUJFWSA-N 0 0 337.424 1.406 10 0 EDAERN C[C@H](O)C[C@@H]1COCCN1C(=O)c1nc(C2CC2)n2ccccc12 ZINC000152743935 138481303 /nfs/dbraw/zinc/48/13/03/138481303.db2.gz DWUJNVYWDWDBHH-GXTWGEPZSA-N 0 0 329.400 1.824 10 0 EDAERN Nc1ccc(SCCS(=O)(=O)NCc2nccs2)cc1 ZINC000070214561 215682839 /nfs/dbraw/zinc/68/28/39/215682839.db2.gz LUMXLGBKUAYRLE-UHFFFAOYSA-N 0 0 329.472 1.937 10 0 EDAERN CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCOCC1 ZINC000036106764 213069496 /nfs/dbraw/zinc/06/94/96/213069496.db2.gz PWIGIADNUTZXFI-HNNXBMFYSA-N 0 0 340.445 1.238 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)Cc2ccccc2C)C[C@@H]1C ZINC000036124292 213071764 /nfs/dbraw/zinc/07/17/64/213071764.db2.gz JHWZCXUTCOEHNI-HOTGVXAUSA-N 0 0 340.489 1.866 10 0 EDAERN CC(C)C(=O)NCCCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000128106510 138619271 /nfs/dbraw/zinc/61/92/71/138619271.db2.gz VJWFTOHSABFXCZ-LBPRGKRZSA-N 0 0 336.440 1.137 10 0 EDAERN CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCN(C2CC2)C1=O ZINC000157855721 138630348 /nfs/dbraw/zinc/63/03/48/138630348.db2.gz FTEGDHLAWDIRDE-OAHLLOKOSA-N 0 0 326.400 1.508 10 0 EDAERN NNS(=O)(=O)c1cc(Br)sc1Br ZINC000035431047 213026827 /nfs/dbraw/zinc/02/68/27/213026827.db2.gz FLQGKBJAYQUXAC-UHFFFAOYSA-N 0 0 336.030 1.425 10 0 EDAERN C[C@H](C(=O)NCc1cccnc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000034684802 212982592 /nfs/dbraw/zinc/98/25/92/212982592.db2.gz MTMCHDYIMYMURT-CQSZACIVSA-N 0 0 342.399 1.137 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1c(C)onc1CC ZINC000120937988 283444190 /nfs/dbraw/zinc/44/41/90/283444190.db2.gz SYYGMPXPJGCHOL-LBPRGKRZSA-N 0 0 329.422 1.688 10 0 EDAERN O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC1CC1 ZINC000072129795 216020056 /nfs/dbraw/zinc/02/00/56/216020056.db2.gz ULLZIRCCGAEFFZ-CQSZACIVSA-N 0 0 339.798 1.448 10 0 EDAERN O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000072150951 216040077 /nfs/dbraw/zinc/04/00/77/216040077.db2.gz QEQTWHWIBYDIKP-HNNXBMFYSA-N 0 0 332.385 1.853 10 0 EDAERN Nc1ccc(NS(=O)(=O)N2CCOCC2)c(Br)c1 ZINC000036743389 213116310 /nfs/dbraw/zinc/11/63/10/213116310.db2.gz VFKXQWJZHLMXOQ-UHFFFAOYSA-N 0 0 336.211 1.020 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N[C@@H](CC(=O)OC)c1ccccc1 ZINC000183774149 138788357 /nfs/dbraw/zinc/78/83/57/138788357.db2.gz AXTIYMFIHXGQEF-HNNXBMFYSA-N 0 0 340.445 1.857 10 0 EDAERN O=S(=O)(/C=C/c1cccc(Cl)c1)N[C@@H]1CCc2ncnn2C1 ZINC000184148130 138792096 /nfs/dbraw/zinc/79/20/96/138792096.db2.gz SKSSOWRFDKUDIL-KTRBRXNASA-N 0 0 338.820 1.837 10 0 EDAERN Cc1noc([C@@H]2COCCN2Cc2cc(F)cc3c2OCOC3)n1 ZINC000184647996 138796842 /nfs/dbraw/zinc/79/68/42/138796842.db2.gz YJFMHQRRKSUJQH-AWEZNQCLSA-N 0 0 335.335 1.957 10 0 EDAERN O=C(Nc1ccc2ncsc2c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130689597 223170003 /nfs/dbraw/zinc/17/00/03/223170003.db2.gz MMQAZLNWOGGWIF-CMPLNLGQSA-N 0 0 333.413 1.902 10 0 EDAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000187126631 138823279 /nfs/dbraw/zinc/82/32/79/138823279.db2.gz GMSDFUDZNRRJNE-UHFFFAOYSA-N 0 0 345.375 1.440 10 0 EDAERN CCn1cc([C@H]2CN([C@@H]3CCN(CC(F)(F)F)C3=O)CCO2)cn1 ZINC000190814534 238748110 /nfs/dbraw/zinc/74/81/10/238748110.db2.gz JXRQWPMTMQMBPH-CHWSQXEVSA-N 0 0 346.353 1.440 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1nncn1C1CC1 ZINC000108591979 219904547 /nfs/dbraw/zinc/90/45/47/219904547.db2.gz WAQNWUWOCXRPIW-NWDGAFQWSA-N 0 0 348.428 1.653 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H](CCCO)c2ccccc2)C1)C1CCC1 ZINC000188867091 138854302 /nfs/dbraw/zinc/85/43/02/138854302.db2.gz NJWIVZBXQDDWBG-KRWDZBQOSA-N 0 0 345.443 1.810 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)CCC(C)(C)C)C1 ZINC000189188900 138863567 /nfs/dbraw/zinc/86/35/67/138863567.db2.gz YNTVFHUSDDIGMC-NWDGAFQWSA-N 0 0 331.438 1.906 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000189399269 138871085 /nfs/dbraw/zinc/87/10/85/138871085.db2.gz SJUAKGMYOARHRZ-QZTJIDSGSA-N 0 0 344.455 1.851 10 0 EDAERN CCOc1ccccc1N1C(=O)C[C@H](N2CCCC[C@@H]2CCO)C1=O ZINC000022266655 212285876 /nfs/dbraw/zinc/28/58/76/212285876.db2.gz PYOOTFGRUKWIET-ZBFHGGJFSA-N 0 0 346.427 1.954 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(N)=S)c2)[C@@H](C)CO1 ZINC000216414547 241190745 /nfs/dbraw/zinc/19/07/45/241190745.db2.gz FADYSRXOUJZPMC-WDEREUQCSA-N 0 0 328.459 1.260 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)C1 ZINC000190228446 138887568 /nfs/dbraw/zinc/88/75/68/138887568.db2.gz YBNOKZYRGQAIPB-SNVBAGLBSA-N 0 0 325.796 1.637 10 0 EDAERN Cn1ccc2ccc(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3O)cc21 ZINC000076335329 216749508 /nfs/dbraw/zinc/74/95/08/216749508.db2.gz VFGIGCPEJGHWPI-CZUORRHYSA-N 0 0 329.400 1.784 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)C(=O)N1CCc2c1cccc2Cl ZINC000130979666 284049098 /nfs/dbraw/zinc/04/90/98/284049098.db2.gz BTVVOFVVAKMEIE-GFCCVEGCSA-N 0 0 345.790 1.472 10 0 EDAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191718347 138922101 /nfs/dbraw/zinc/92/21/01/138922101.db2.gz IEIIPTHTJMZHRU-ZIAGYGMSSA-N 0 0 337.424 1.030 10 0 EDAERN CCS[C@@H]1O[C@@H]2CO[C@H](c3ccc(OC)cc3)O[C@@H]2[C@@H](O)[C@H]1O ZINC000255986990 244058910 /nfs/dbraw/zinc/05/89/10/244058910.db2.gz MBJNBNGPOLEMKC-IBPCWRJOSA-N 0 0 342.413 1.309 10 0 EDAERN O=C(Nn1cnnc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000020369060 212123248 /nfs/dbraw/zinc/12/32/48/212123248.db2.gz HKLDTQBESQKPCM-UHFFFAOYSA-N 0 0 333.779 1.554 10 0 EDAERN O=C1C(=O)N(CCN2CCOCC2)c2cccc(Br)c21 ZINC000019966770 212091946 /nfs/dbraw/zinc/09/19/46/212091946.db2.gz HPIAQMPWSCSMLH-UHFFFAOYSA-N 0 0 339.189 1.311 10 0 EDAERN COc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000019815519 212071980 /nfs/dbraw/zinc/07/19/80/212071980.db2.gz ISSRBWIARPZUGJ-JTQLQIEISA-N 0 0 340.335 1.985 10 0 EDAERN C/C(=C\C(=O)N1CCC[C@H]1C(=O)N1CCOCC1)c1ccccc1 ZINC000040662726 213366908 /nfs/dbraw/zinc/36/69/08/213366908.db2.gz XPPLEAZQYLNQGG-ZWKQNVPVSA-N 0 0 328.412 1.940 10 0 EDAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000194325162 138989818 /nfs/dbraw/zinc/98/98/18/138989818.db2.gz ZWROQOYCGZBPTE-NSHDSACASA-N 0 0 336.417 1.571 10 0 EDAERN O=C(N[C@H]1CCOc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173782620 284215013 /nfs/dbraw/zinc/21/50/13/284215013.db2.gz GIXFIVLWVOXVQB-ZBFHGGJFSA-N 0 0 331.416 1.626 10 0 EDAERN CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195281333 139012264 /nfs/dbraw/zinc/01/22/64/139012264.db2.gz PMHYVJMASHCDIM-KBPBESRZSA-N 0 0 347.463 1.624 10 0 EDAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195281321 139012292 /nfs/dbraw/zinc/01/22/92/139012292.db2.gz PMHYVJMASHCDIM-UONOGXRCSA-N 0 0 347.463 1.624 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)Cc1nc2ccccc2s1 ZINC000195425966 139016243 /nfs/dbraw/zinc/01/62/43/139016243.db2.gz WFJXCNMXGHHCBK-UHFFFAOYSA-N 0 0 337.430 1.979 10 0 EDAERN COc1ccc(Br)cc1NCC(=O)N1CCN(C)CC1 ZINC000049566874 214020531 /nfs/dbraw/zinc/02/05/31/214020531.db2.gz INTGOXPMJZSMSF-UHFFFAOYSA-N 0 0 342.237 1.644 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000195519788 139019556 /nfs/dbraw/zinc/01/95/56/139019556.db2.gz ASCZFZXFEUEOTI-MELADBBJSA-N 0 0 341.477 1.759 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCc2nn3cnnc3s2)s1 ZINC000049722338 214028987 /nfs/dbraw/zinc/02/89/87/214028987.db2.gz ZDPUESGWCIYQHP-UHFFFAOYSA-N 0 0 329.432 1.077 10 0 EDAERN Cc1nc(C[C@H]2CCCN(CC(=O)NC(C3CC3)C3CC3)C2)no1 ZINC000195518101 139019111 /nfs/dbraw/zinc/01/91/11/139019111.db2.gz NBITUTIIYLCQHV-CYBMUJFWSA-N 0 0 332.448 1.937 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)CCc3ccccn3)CCO2)n1 ZINC000110897813 220077052 /nfs/dbraw/zinc/07/70/52/220077052.db2.gz RJADBKQMLKNKAW-QGZVFWFLSA-N 0 0 328.416 1.755 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1F ZINC000081073835 217357724 /nfs/dbraw/zinc/35/77/24/217357724.db2.gz CJNUIYUJCFNTEX-SNVBAGLBSA-N 0 0 328.344 1.678 10 0 EDAERN O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238978071 139070182 /nfs/dbraw/zinc/07/01/82/139070182.db2.gz ZYZFAMQSBYGPAW-OAHLLOKOSA-N 0 0 336.355 1.351 10 0 EDAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000245386880 139071391 /nfs/dbraw/zinc/07/13/91/139071391.db2.gz RLCXDCXNQODPTL-KWCYVHTRSA-N 0 0 349.406 1.481 10 0 EDAERN COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000245540556 139078497 /nfs/dbraw/zinc/07/84/97/139078497.db2.gz MQYIKTSDLUKBLG-NVXWUHKLSA-N 0 0 348.443 1.533 10 0 EDAERN CO[C@@H]1CC[C@@H]2OCCN(Cc3nnnn3-c3ccccc3)[C@H]2C1 ZINC000246224041 139100002 /nfs/dbraw/zinc/10/00/02/139100002.db2.gz FNCIWCLGQMNZEW-PMPSAXMXSA-N 0 0 329.404 1.431 10 0 EDAERN NC(=O)N[C@H](CC(=O)N[C@H]1CCCC[C@H]1CO)c1cccs1 ZINC000246565470 139113034 /nfs/dbraw/zinc/11/30/34/139113034.db2.gz HMEMHDNOJXSLRC-SDDRHHMPSA-N 0 0 325.434 1.515 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)c2ccc(=O)[nH]n2)c2cccs2)CCO1 ZINC000246777355 139121199 /nfs/dbraw/zinc/12/11/99/139121199.db2.gz IVPFMWJJOHWYSV-WCQYABFASA-N 0 0 348.428 1.023 10 0 EDAERN CC[C@H]1CN(CC(=O)NCc2sccc2C)CC[N@@H+]1C[C@H](C)O ZINC000246987431 139129858 /nfs/dbraw/zinc/12/98/58/139129858.db2.gz ATYFEDPZWFAFTH-GJZGRUSLSA-N 0 0 339.505 1.450 10 0 EDAERN O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856667 284610023 /nfs/dbraw/zinc/61/00/23/284610023.db2.gz QTCRBVMCZOVCOZ-CYBMUJFWSA-N 0 0 328.155 1.418 10 0 EDAERN CC(C)CCC[C@H](C)NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247116814 139136526 /nfs/dbraw/zinc/13/65/26/139136526.db2.gz JIBAYTQLNLJLAU-DLBZAZTESA-N 0 0 336.480 1.915 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000247680320 139153767 /nfs/dbraw/zinc/15/37/67/139153767.db2.gz RRPGWKRGCRWXQC-KGYLQXTDSA-N 0 0 333.392 1.826 10 0 EDAERN C[C@H](O)C[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000247771142 139154935 /nfs/dbraw/zinc/15/49/35/139154935.db2.gz WCYIAHXUNPBUMI-BQFCYCMXSA-N 0 0 349.475 1.561 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)N2CCOCC2)c2cccs2)CCO1 ZINC000248341930 139160426 /nfs/dbraw/zinc/16/04/26/139160426.db2.gz JHBCZXJDNGTMHC-ZIAGYGMSSA-N 0 0 339.461 1.552 10 0 EDAERN CC(C)(C)[C@H](NC(=O)CN1C[C@@H](O)C[C@@H]1CO)c1cccs1 ZINC000248397947 139161919 /nfs/dbraw/zinc/16/19/19/139161919.db2.gz SNVORTBQCWMVSN-TYNCELHUSA-N 0 0 326.462 1.379 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)C[S@@](C)=O)C(C)C ZINC000248431537 139163591 /nfs/dbraw/zinc/16/35/91/139163591.db2.gz BNSALXWWXHHULS-VXOUBLIBSA-N 0 0 338.473 1.633 10 0 EDAERN CSCCNC(=O)Cn1cc(NC(=O)COc2ccccc2)cn1 ZINC000012036321 211281076 /nfs/dbraw/zinc/28/10/76/211281076.db2.gz LMBPAQGLVDOGDJ-UHFFFAOYSA-N 0 0 348.428 1.380 10 0 EDAERN COc1cccc(OCC[NH+]2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])c1 ZINC000091468755 218011098 /nfs/dbraw/zinc/01/10/98/218011098.db2.gz GIMBMRUDBZDCTF-HNNXBMFYSA-N 0 0 348.399 1.129 10 0 EDAERN OC[C@@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@H]1c1ccsc1 ZINC000248828619 139176834 /nfs/dbraw/zinc/17/68/34/139176834.db2.gz KXVMSHBXFNGAGY-QWRGUYRKSA-N 0 0 347.366 1.505 10 0 EDAERN COCCNC(=O)c1ccccc1NC(=S)NC(=O)CC(C)C ZINC000010123107 211149911 /nfs/dbraw/zinc/14/99/11/211149911.db2.gz XTPIZNUWWMEKAI-UHFFFAOYSA-N 0 0 337.445 1.922 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000248884529 139179362 /nfs/dbraw/zinc/17/93/62/139179362.db2.gz GUXZMYBRMIGUPM-XFJVYGCCSA-N 0 0 347.390 1.082 10 0 EDAERN CC1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000009704709 211117531 /nfs/dbraw/zinc/11/75/31/211117531.db2.gz QAMVIKPOFWZLNS-UHFFFAOYSA-N 0 0 336.413 1.344 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3C)c2)CC1 ZINC000112197101 220257433 /nfs/dbraw/zinc/25/74/33/220257433.db2.gz LYJNCGYMWKTAGB-KRWDZBQOSA-N 0 0 342.443 1.709 10 0 EDAERN Cc1cccc(-n2ncc3c2nc(SCC(N)=O)[nH]c3=O)c1C ZINC000009521527 211096341 /nfs/dbraw/zinc/09/63/41/211096341.db2.gz SUGKJAGAMVKVOD-UHFFFAOYSA-N 0 0 329.385 1.715 10 0 EDAERN C[C@@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@@H]1CCCO1 ZINC000249691422 139197045 /nfs/dbraw/zinc/19/70/45/139197045.db2.gz SVQGMGVBFVLARW-FMKPAKJESA-N 0 0 325.453 1.449 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000252802737 139205460 /nfs/dbraw/zinc/20/54/60/139205460.db2.gz USCINSMXHXQUFT-KWBADKCTSA-N 0 0 343.210 1.810 10 0 EDAERN CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000008884201 211015380 /nfs/dbraw/zinc/01/53/80/211015380.db2.gz GEAQKJWIWNHMRT-UHFFFAOYSA-N 0 0 335.379 1.544 10 0 EDAERN N#CNC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000095937114 218451657 /nfs/dbraw/zinc/45/16/57/218451657.db2.gz CWPQHMWKFJQBKJ-UHFFFAOYSA-N 0 0 326.337 1.484 10 0 EDAERN COc1ccccc1O[C@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177359058 532951088 /nfs/dbraw/zinc/95/10/88/532951088.db2.gz GRIQCNKFPLPQEQ-OLZOCXBDSA-N 0 0 345.403 1.888 10 0 EDAERN COC[C@H](C)C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000157547142 532958765 /nfs/dbraw/zinc/95/87/65/532958765.db2.gz XLCYGTKNQSMVRJ-KBPBESRZSA-N 0 0 336.432 1.929 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nncs2)ncn1 ZINC000174132616 533048225 /nfs/dbraw/zinc/04/82/25/533048225.db2.gz SKWVTHOIWAKION-SECBINFHSA-N 0 0 334.409 1.160 10 0 EDAERN COCC(=O)NC1CN(S(=O)(=O)c2ccc(CC(C)C)cc2)C1 ZINC000187714193 533063515 /nfs/dbraw/zinc/06/35/15/533063515.db2.gz ANDBEMAPYFWJPO-UHFFFAOYSA-N 0 0 340.445 1.021 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000112652742 220364098 /nfs/dbraw/zinc/36/40/98/220364098.db2.gz XEOYAPZDTAHLHK-YGRLFVJLSA-N 0 0 347.325 1.181 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000112658325 220366589 /nfs/dbraw/zinc/36/65/89/220366589.db2.gz LSRRWWYNZPJQBK-QWHCGFSZSA-N 0 0 349.435 1.356 10 0 EDAERN O=C(NCCc1ccc(Cl)s1)N[C@H]1CCc2ncnn2C1 ZINC000112744516 220394529 /nfs/dbraw/zinc/39/45/29/220394529.db2.gz FUVPZAWWZSOXDC-VIFPVBQESA-N 0 0 325.825 1.850 10 0 EDAERN Cc1cc(C)cc(OCCNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112745836 220395590 /nfs/dbraw/zinc/39/55/90/220395590.db2.gz AZLBDANGCXUCDF-AWEZNQCLSA-N 0 0 329.404 1.588 10 0 EDAERN COc1ccccc1C(C)(C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112748647 220397222 /nfs/dbraw/zinc/39/72/22/220397222.db2.gz YJRSMFJUEGJHCN-GFCCVEGCSA-N 0 0 329.404 1.836 10 0 EDAERN Cc1ccc(NC(=O)C[C@H](O)C(C)C)cc1S(=O)(=O)N(C)C ZINC000153858576 224167718 /nfs/dbraw/zinc/16/77/18/224167718.db2.gz XSIYYZKQGDZUMZ-ZDUSSCGKSA-N 0 0 328.434 1.591 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccco3)on1)CC2 ZINC000114868603 220771184 /nfs/dbraw/zinc/77/11/84/220771184.db2.gz RVIULERZLDPDSG-SNVBAGLBSA-N 0 0 327.344 1.833 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C\c1ncccc1C ZINC000492556254 255179435 /nfs/dbraw/zinc/17/94/35/255179435.db2.gz YSZKJCLUMCDLDX-WBTMPAOCSA-N 0 0 327.388 1.792 10 0 EDAERN CCCCOCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115347880 220832799 /nfs/dbraw/zinc/83/27/99/220832799.db2.gz FDWUYVRDHCFWPI-GOEBONIOSA-N 0 0 336.436 1.263 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)CCC3CCCC3)C2)cn1 ZINC000116228429 220943156 /nfs/dbraw/zinc/94/31/56/220943156.db2.gz OFNFLIFMXWHTAV-OAHLLOKOSA-N 0 0 332.448 1.823 10 0 EDAERN CC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000116779980 220989700 /nfs/dbraw/zinc/98/97/00/220989700.db2.gz DWMXQVZURGTVLU-CQSZACIVSA-N 0 0 329.404 1.978 10 0 EDAERN CCc1nnc2ccc(N3CCC[C@H](Cn4nc(C)nc4C)C3)nn21 ZINC000116871955 221001921 /nfs/dbraw/zinc/00/19/21/221001921.db2.gz DYLFCGPXLZGXFL-AWEZNQCLSA-N 0 0 340.435 1.812 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C[C@H]1C ZINC000117454651 221065275 /nfs/dbraw/zinc/06/52/75/221065275.db2.gz QNDJMCMGTFRFJD-LLVKDONJSA-N 0 0 338.383 1.109 10 0 EDAERN CCOCCN1CCN(C(=O)c2csc(NC(C)=O)n2)C[C@@H]1C ZINC000117277507 221042598 /nfs/dbraw/zinc/04/25/98/221042598.db2.gz PIOKFUSLIDZEIE-NSHDSACASA-N 0 0 340.449 1.284 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@@H]1C ZINC000117283883 221043649 /nfs/dbraw/zinc/04/36/49/221043649.db2.gz GSVDLICRAVNSPO-AWEZNQCLSA-N 0 0 347.459 1.437 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@H]1C ZINC000117283810 221044172 /nfs/dbraw/zinc/04/41/72/221044172.db2.gz YLXCGHYDERVNPI-OAHLLOKOSA-N 0 0 347.459 1.571 10 0 EDAERN COCCN1CCN(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C[C@H]1C ZINC000117292526 221045243 /nfs/dbraw/zinc/04/52/43/221045243.db2.gz WVUFQKLYVXYRPF-CHWSQXEVSA-N 0 0 342.386 1.911 10 0 EDAERN COCCN1CCN(C(=O)c2cccnc2OCC(C)C)C[C@@H]1C ZINC000117288585 221045795 /nfs/dbraw/zinc/04/57/95/221045795.db2.gz GWNJRNZJTQNBIL-HNNXBMFYSA-N 0 0 335.448 1.909 10 0 EDAERN COCCN1CCN(C(=O)c2ccn(-c3ccccc3)n2)C[C@H]1C ZINC000117294647 221048272 /nfs/dbraw/zinc/04/82/72/221048272.db2.gz CAGJIJHPXNOJQC-OAHLLOKOSA-N 0 0 328.416 1.665 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(NC(N)=O)c2)CCN1CCOC ZINC000117307278 221051198 /nfs/dbraw/zinc/05/11/98/221051198.db2.gz BBHRLMMUQPOSJC-HNNXBMFYSA-N 0 0 334.420 1.360 10 0 EDAERN COCCN1CCN(C(=O)NCc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000117475309 221068848 /nfs/dbraw/zinc/06/88/48/221068848.db2.gz JSNOQJGCDWRUNT-CQSZACIVSA-N 0 0 348.447 1.507 10 0 EDAERN C[C@@H](Oc1cccnc1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000117792559 221089517 /nfs/dbraw/zinc/08/95/17/221089517.db2.gz NWMFTZGQHJTZID-CQSZACIVSA-N 0 0 327.388 1.378 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)c1 ZINC000117817664 221092813 /nfs/dbraw/zinc/09/28/13/221092813.db2.gz YLOPCCINMFJCGD-ZDUSSCGKSA-N 0 0 340.383 1.301 10 0 EDAERN Cc1cnn(CCNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000117817658 221092854 /nfs/dbraw/zinc/09/28/54/221092854.db2.gz VRLFNNPCQPITHJ-MRXNPFEDSA-N 0 0 342.399 1.739 10 0 EDAERN COC(=O)CCCS(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000118424478 221149587 /nfs/dbraw/zinc/14/95/87/221149587.db2.gz AFODLCDSAYJIMN-AWEZNQCLSA-N 0 0 328.434 1.162 10 0 EDAERN Nc1nn2c(nc(O)c(-c3cccc(Br)c3)c2=O)s1 ZINC000118699920 221171327 /nfs/dbraw/zinc/17/13/27/221171327.db2.gz MYGASLOAZJGXHM-SSDOTTSWSA-N 0 0 339.174 1.234 10 0 EDAERN C[C@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@@H]1N1CCOCC1 ZINC000154577746 224274645 /nfs/dbraw/zinc/27/46/45/224274645.db2.gz DGWDBIPYAITYKZ-BBRMVZONSA-N 0 0 341.415 1.264 10 0 EDAERN COc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)cc1-c1ccccn1 ZINC000118961383 221211549 /nfs/dbraw/zinc/21/15/49/221211549.db2.gz HUBRDIAQQZOGPX-INIZCTEOSA-N 0 0 327.384 1.997 10 0 EDAERN CCCC(O)(CCC)CC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000119063004 221235696 /nfs/dbraw/zinc/23/56/96/221235696.db2.gz TWYPHUIVFDEIJX-ZDUSSCGKSA-N 0 0 338.452 1.988 10 0 EDAERN O=C(Cc1c[nH]c2ncccc12)N1CCC(Nc2cccnn2)CC1 ZINC000119302752 221288280 /nfs/dbraw/zinc/28/82/80/221288280.db2.gz LJDJRXPGLRXEBQ-UHFFFAOYSA-N 0 0 336.399 1.999 10 0 EDAERN COC(=O)[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1ccccc1 ZINC000119641312 221366579 /nfs/dbraw/zinc/36/65/79/221366579.db2.gz DKJZKLCXBWSTNT-MRXNPFEDSA-N 0 0 339.351 1.360 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155323653 224397809 /nfs/dbraw/zinc/39/78/09/224397809.db2.gz AQYPZPKCNQZMRW-LBPRGKRZSA-N 0 0 344.419 1.545 10 0 EDAERN O=C([C@@H]1CN(c2ncc(F)cn2)C[C@@H]2OCC[C@@H]21)N1CCCCO1 ZINC000247805287 257679348 /nfs/dbraw/zinc/67/93/48/257679348.db2.gz YUWWBEGNAKFUPE-MCIONIFRSA-N 0 0 336.367 1.011 10 0 EDAERN COCc1cc(N2CCC[C@H](Cc3nccn3C)C2)n2ncnc2n1 ZINC000132612032 533241340 /nfs/dbraw/zinc/24/13/40/533241340.db2.gz LKAQDTOHTUCNNA-CYBMUJFWSA-N 0 0 341.419 1.463 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174296274 533275255 /nfs/dbraw/zinc/27/52/55/533275255.db2.gz XIRPUPZYBBHEEF-HUUCEWRRSA-N 0 0 348.443 1.572 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nn1cnc2ccccc21 ZINC000154601313 533285309 /nfs/dbraw/zinc/28/53/09/533285309.db2.gz OYVPVHOXZLGRPB-LBPRGKRZSA-N 0 0 341.375 1.562 10 0 EDAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000153986732 533444515 /nfs/dbraw/zinc/44/45/15/533444515.db2.gz ROOZPNPOEZBZMF-QWHCGFSZSA-N 0 0 331.821 1.777 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(C(N)=S)ccc1Cl)[C@@H]1CCOC1 ZINC000166234471 533479630 /nfs/dbraw/zinc/47/96/30/533479630.db2.gz CWLHAEFRAXENKA-PSASIEDQSA-N 0 0 348.877 1.678 10 0 EDAERN COc1cc(C)cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1O ZINC000173981638 533619968 /nfs/dbraw/zinc/61/99/68/533619968.db2.gz UCYQFHXYNVUXKX-DZGCQCFKSA-N 0 0 334.416 1.502 10 0 EDAERN C[C@@H](CC[S@@](C)=O)NC(=O)c1sc(N2CCCC2)nc1N ZINC000163721747 533650301 /nfs/dbraw/zinc/65/03/01/533650301.db2.gz WLYBUIRHPOPWFB-FPVGNUTFSA-N 0 0 330.479 1.212 10 0 EDAERN Nc1snnc1CN1C(=O)COc2ccc(Br)cc21 ZINC000050829398 132179242 /nfs/dbraw/zinc/17/92/42/132179242.db2.gz GCFJZFHNJHREBW-UHFFFAOYSA-N 0 0 341.190 1.808 10 0 EDAERN C[C@@H]1COCCN1C(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000040669279 132405206 /nfs/dbraw/zinc/40/52/06/132405206.db2.gz BJBIDCAYRWHHLF-CYBMUJFWSA-N 0 0 338.429 1.478 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000016390926 135709680 /nfs/dbraw/zinc/70/96/80/135709680.db2.gz QLICZNWWMAAKOV-JKSUJKDBSA-N 0 0 339.443 1.865 10 0 EDAERN COc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 ZINC000019173950 135713866 /nfs/dbraw/zinc/71/38/66/135713866.db2.gz ZBRSEPULKMJTSO-UHFFFAOYSA-N 0 0 342.399 1.385 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000328922812 140683724 /nfs/dbraw/zinc/68/37/24/140683724.db2.gz CSJYOAISFLVPHN-RRFJBIMHSA-N 0 0 329.404 1.558 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC1 ZINC000329594781 140743198 /nfs/dbraw/zinc/74/31/98/140743198.db2.gz VDKJAHCRMUQISY-HLLBOEOZSA-N 0 0 333.432 1.253 10 0 EDAERN CC(C)n1nc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c2ccccc2c1=O ZINC000329761615 140761236 /nfs/dbraw/zinc/76/12/36/140761236.db2.gz RQGAMPRWYFGBKB-VBNZEHGJSA-N 0 0 341.411 1.820 10 0 EDAERN C[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)CO1 ZINC000329938368 140784521 /nfs/dbraw/zinc/78/45/21/140784521.db2.gz AGCVGYWSEBMFLU-QPSCCSFWSA-N 0 0 336.411 1.272 10 0 EDAERN O=C(NC[C@H](O)C1CCOCC1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000333044639 141254842 /nfs/dbraw/zinc/25/48/42/141254842.db2.gz PFYWQKGUTNWMOV-CVEARBPZSA-N 0 0 338.448 1.071 10 0 EDAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333381892 141309233 /nfs/dbraw/zinc/30/92/33/141309233.db2.gz XQDIMTYBVDURTE-NSHDSACASA-N 0 0 344.419 1.926 10 0 EDAERN O=S1(=O)CCCN1[C@@H]1CCCN(c2cnc3c(n2)CCCC3)C1 ZINC000333506045 141328219 /nfs/dbraw/zinc/32/82/19/141328219.db2.gz IKHCTJXENMRRQD-CYBMUJFWSA-N 0 0 336.461 1.360 10 0 EDAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000132926661 292187376 /nfs/dbraw/zinc/18/73/76/292187376.db2.gz FNOAGWKSWCFBPB-AWEZNQCLSA-N 0 0 348.428 1.733 10 0 EDAERN C[C@H](NC(=O)NCCCS(=O)(=O)c1ccccc1)[C@H]1CCCO1 ZINC000066893340 287244437 /nfs/dbraw/zinc/24/44/37/287244437.db2.gz WUZFEUWMQSFQDJ-DZGCQCFKSA-N 0 0 340.445 1.717 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000072888308 287257533 /nfs/dbraw/zinc/25/75/33/287257533.db2.gz KTIVSPWOVDFNIB-WDEREUQCSA-N 0 0 327.344 1.318 10 0 EDAERN Nc1ccc(N2CCOC[C@H]2C(=O)NC2CC2)c(Br)c1 ZINC000159276253 225184266 /nfs/dbraw/zinc/18/42/66/225184266.db2.gz FFFBAKFLQDXOMC-ZDUSSCGKSA-N 0 0 340.221 1.515 10 0 EDAERN COCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000159481872 225226153 /nfs/dbraw/zinc/22/61/53/225226153.db2.gz UPNRTULTMURVEA-JTQLQIEISA-N 0 0 345.193 1.840 10 0 EDAERN CSCCNS(=O)(=O)c1cc(Br)cc(N)c1C ZINC000161857039 225704510 /nfs/dbraw/zinc/70/45/10/225704510.db2.gz AOCKFDTXJPJNBJ-UHFFFAOYSA-N 0 0 339.280 1.981 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000163988615 226036346 /nfs/dbraw/zinc/03/63/46/226036346.db2.gz ALVPANSJSLFNOQ-VXGBXAGGSA-N 0 0 329.422 1.230 10 0 EDAERN CCS(=O)(=O)[C@H]1CSCCN1Cc1cc(N)cc(OC)c1 ZINC000164132949 226049076 /nfs/dbraw/zinc/04/90/76/226049076.db2.gz RMDRWSBAAYIREQ-AWEZNQCLSA-N 0 0 330.475 1.587 10 0 EDAERN C[C@@H]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C(N)=S)cc2)C1 ZINC000164364452 226066440 /nfs/dbraw/zinc/06/64/40/226066440.db2.gz KAPUNNNSZZPJNA-VXGBXAGGSA-N 0 0 326.487 1.825 10 0 EDAERN C[C@]1(CNc2nc[n-]c(=O)c2I)CCC[NH2+]C1 ZINC000164514824 226079747 /nfs/dbraw/zinc/07/97/47/226079747.db2.gz YNONZYUISMJARV-NSHDSACASA-N 0 0 348.188 1.176 10 0 EDAERN Cc1ccc(S(=O)(=O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(N)c1 ZINC000165332454 226122318 /nfs/dbraw/zinc/12/23/18/226122318.db2.gz TXVYSXSPQKUWCN-RYUDHWBXSA-N 0 0 331.459 1.707 10 0 EDAERN Cc1c(N)cnc(NC2CCS(=O)(=O)CC2)c1Br ZINC000165478392 226125224 /nfs/dbraw/zinc/12/52/24/226125224.db2.gz JUOXJLLSRQWOGD-UHFFFAOYSA-N 0 0 334.239 1.724 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000165503069 226127163 /nfs/dbraw/zinc/12/71/63/226127163.db2.gz MTWZMRYRAKPUAS-NSHDSACASA-N 0 0 345.378 1.878 10 0 EDAERN Cc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000165582894 226128013 /nfs/dbraw/zinc/12/80/13/226128013.db2.gz KABSEOVMMHWLGA-NSHDSACASA-N 0 0 345.378 1.878 10 0 EDAERN Cc1cc(S(=O)(=O)[C@H]2CCC[C@@H](S(C)(=O)=O)C2)ccc1N ZINC000165748615 226134841 /nfs/dbraw/zinc/13/48/41/226134841.db2.gz ZMGQASXAUMJCMY-NEPJUHHUSA-N 0 0 331.459 1.707 10 0 EDAERN Nc1cc(Br)cc(C(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000166141991 226149535 /nfs/dbraw/zinc/14/95/35/226149535.db2.gz IRMDECRDIZXTCG-NSHDSACASA-N 0 0 347.234 1.338 10 0 EDAERN O=c1c(Br)c(Cl)ncn1[C@H]1CCS(=O)(=O)C1 ZINC000166311195 226154981 /nfs/dbraw/zinc/15/49/81/226154981.db2.gz RPCIMVZOZMPBER-YFKPBYRVSA-N 0 0 327.587 1.019 10 0 EDAERN COCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl ZINC000167989859 226206035 /nfs/dbraw/zinc/20/60/35/226206035.db2.gz NULCTTXDRXKGSY-UHFFFAOYSA-N 0 0 338.788 1.281 10 0 EDAERN Cc1ccc(C(N)=S)cc1NC(=O)[C@H]1CCCCS1(=O)=O ZINC000168473597 226214686 /nfs/dbraw/zinc/21/46/86/226214686.db2.gz VFKKOGIVFQKVPZ-GFCCVEGCSA-N 0 0 326.443 1.535 10 0 EDAERN O=C(COc1ccc(Br)cc1)N1CCOC[C@@H]1CO ZINC000168449700 226215362 /nfs/dbraw/zinc/21/53/62/226215362.db2.gz TUPKHQQMDLZMFX-NSHDSACASA-N 0 0 330.178 1.048 10 0 EDAERN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000168695113 226220725 /nfs/dbraw/zinc/22/07/25/226220725.db2.gz IYTCRDGUNUDDAK-DMWPKQFHSA-N 0 0 328.818 1.107 10 0 EDAERN COCCOc1cccc(CC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000126195235 287417813 /nfs/dbraw/zinc/41/78/13/287417813.db2.gz UUOXFUXFOUBBRQ-MRXNPFEDSA-N 0 0 344.415 1.806 10 0 EDAERN Cc1cc(C)n2c(CNC(=O)c3cc4ccccc4oc3=O)nnc2n1 ZINC000169850870 226589050 /nfs/dbraw/zinc/58/90/50/226589050.db2.gz LKOPZSLBJMIGNS-UHFFFAOYSA-N 0 0 349.350 1.778 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc3c(c2)CCO3)cn1 ZINC000171398452 227061301 /nfs/dbraw/zinc/06/13/01/227061301.db2.gz MVVDQYOPXVZLSQ-HNNXBMFYSA-N 0 0 340.383 1.657 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCC(C)(C)N2CCOCC2)cn1 ZINC000171449867 227086781 /nfs/dbraw/zinc/08/67/81/227086781.db2.gz OUXSKUGFWVCFMK-HNNXBMFYSA-N 0 0 335.452 1.377 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)cn1 ZINC000171486561 227108675 /nfs/dbraw/zinc/10/86/75/227108675.db2.gz IVSVDBDZXNRNFR-HNNXBMFYSA-N 0 0 330.363 1.653 10 0 EDAERN O=C(NCc1ccc(F)cc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121623440 221891410 /nfs/dbraw/zinc/89/14/10/221891410.db2.gz XRBKQXFXPQKFHP-RDTXWAMCSA-N 0 0 334.391 1.596 10 0 EDAERN COCc1ccccc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000122517648 222104349 /nfs/dbraw/zinc/10/43/49/222104349.db2.gz ZDWAXHGWNVYVCW-LBPRGKRZSA-N 0 0 348.424 1.971 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc(O)cc1 ZINC000122449952 222090537 /nfs/dbraw/zinc/09/05/37/222090537.db2.gz FICCUOQLYLYTKW-CQSZACIVSA-N 0 0 345.403 1.807 10 0 EDAERN CC(=O)N[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)C1CCCC1 ZINC000123273516 222248186 /nfs/dbraw/zinc/24/81/86/222248186.db2.gz XGHGGUSLLCXOFI-IAGOWNOFSA-N 0 0 331.416 1.756 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)Nc3cc(C)nn3C)CC2)cn1 ZINC000171846394 227313590 /nfs/dbraw/zinc/31/35/90/227313590.db2.gz YHJVTEMOWZNJJX-UHFFFAOYSA-N 0 0 345.451 1.685 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000172286548 227597571 /nfs/dbraw/zinc/59/75/71/227597571.db2.gz WYZMWZOFHYKVAL-CQSZACIVSA-N 0 0 341.415 1.780 10 0 EDAERN O=C(Nc1cccc(OCCF)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130853476 287500289 /nfs/dbraw/zinc/50/02/89/287500289.db2.gz PRPDJYOUTXQMPY-DOMZBBRYSA-N 0 0 338.379 1.641 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCN(C[C@H](O)CC)CC2)ccc1C ZINC000189469502 272965578 /nfs/dbraw/zinc/96/55/78/272965578.db2.gz WDRHXYSOQRXJOL-QGZVFWFLSA-N 0 0 347.459 1.411 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3cccnc3OC)CC2)n1 ZINC000193337688 272991154 /nfs/dbraw/zinc/99/11/54/272991154.db2.gz TZJAKPDMIOKULN-UHFFFAOYSA-N 0 0 329.404 1.601 10 0 EDAERN Cc1oc(C(=O)N2CCCc3c(N)cccc32)cc1S(N)(=O)=O ZINC000237719593 273012218 /nfs/dbraw/zinc/01/22/18/273012218.db2.gz VUDQIYUJOQCSSS-UHFFFAOYSA-N 0 0 335.385 1.411 10 0 EDAERN COc1cccc2c1CCN(C(=O)N[C@@H]1CCCn3ncnc31)C2 ZINC000182580257 267656381 /nfs/dbraw/zinc/65/63/81/267656381.db2.gz FNWJTMVCDXYZOK-CQSZACIVSA-N 0 0 327.388 1.890 10 0 EDAERN CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CCO1 ZINC000189766079 267785557 /nfs/dbraw/zinc/78/55/57/267785557.db2.gz CQPHJVNIXQRTDG-RWMBFGLXSA-N 0 0 330.400 1.971 10 0 EDAERN CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(NC(C)=O)C1 ZINC000190528502 267800395 /nfs/dbraw/zinc/80/03/95/267800395.db2.gz GVRIDOKPAWMUCS-UHFFFAOYSA-N 0 0 328.372 1.232 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCCn1cccn1)C(C)C ZINC000195241766 267891401 /nfs/dbraw/zinc/89/14/01/267891401.db2.gz DRYKIULKBCRFSJ-MRXNPFEDSA-N 0 0 344.415 1.463 10 0 EDAERN CCc1nn(C)cc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000092214370 272917166 /nfs/dbraw/zinc/91/71/66/272917166.db2.gz SJUYKWVUYXLRQJ-SNVBAGLBSA-N 0 0 336.417 1.121 10 0 EDAERN CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000156061361 272928753 /nfs/dbraw/zinc/92/87/53/272928753.db2.gz GHDIGLYESSVQDL-JGGQBBKZSA-N 0 0 334.416 1.622 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H](C)CO[C@@H]1CCOC1)C(C)C ZINC000177481351 272941066 /nfs/dbraw/zinc/94/10/66/272941066.db2.gz BMDGZTSYMDOAGG-FMKPAKJESA-N 0 0 328.453 1.484 10 0 EDAERN CC(C)CC(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000157907554 287689059 /nfs/dbraw/zinc/68/90/59/287689059.db2.gz DDYYFNILJBJPLH-HIFRSBDPSA-N 0 0 325.453 1.890 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CCO2)c1 ZINC000245597728 287714752 /nfs/dbraw/zinc/71/47/52/287714752.db2.gz LVNOJRCAKMGFNW-QKPAOTATSA-N 0 0 336.436 1.558 10 0 EDAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)O1 ZINC000246305712 287735923 /nfs/dbraw/zinc/73/59/23/287735923.db2.gz CHZYTPTUVKCVKJ-YTWAJWBKSA-N 0 0 337.342 1.440 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000163599916 274861691 /nfs/dbraw/zinc/86/16/91/274861691.db2.gz CQRVJTMCOSYPAN-ZDUSSCGKSA-N 0 0 331.351 1.355 10 0 EDAERN O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000000004680 274996799 /nfs/dbraw/zinc/99/67/99/274996799.db2.gz VXEBMQZDPONDFB-UHFFFAOYSA-N 0 0 333.315 1.299 10 0 in-man EDAERN CCOc1ccc2cc(C(=O)N[C@@H]3CCc4ncnn4C3)[nH]c2c1 ZINC000112653000 276378489 /nfs/dbraw/zinc/37/84/89/276378489.db2.gz MAVJLEIFKKKGIH-GFCCVEGCSA-N 0 0 325.372 1.903 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000248507050 276596203 /nfs/dbraw/zinc/59/62/03/276596203.db2.gz XEODFXOYUFLVHD-JCHJZTRSSA-N 0 0 343.471 1.670 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000183113023 278138199 /nfs/dbraw/zinc/13/81/99/278138199.db2.gz SRRGHSLIQPTNKF-AWEZNQCLSA-N 0 0 334.464 1.979 10 0 EDAERN C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](CNc2ccccn2)C1 ZINC000151102568 278206409 /nfs/dbraw/zinc/20/64/09/278206409.db2.gz LUOIXDYCDSTRHE-NWDGAFQWSA-N 0 0 330.354 1.882 10 0 EDAERN CC(C)N(C)S(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183193612 279386068 /nfs/dbraw/zinc/38/60/68/279386068.db2.gz QMTJOJOWJYXEQE-CYBMUJFWSA-N 0 0 341.481 1.726 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[C@]12CCCO2 ZINC000333596393 280049429 /nfs/dbraw/zinc/04/94/29/280049429.db2.gz LWFAPNWIAHXQSO-MXSMSXNCSA-N 0 0 338.448 1.924 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@]12CCCO2 ZINC000333624154 280051480 /nfs/dbraw/zinc/05/14/80/280051480.db2.gz QBBPWRCKTKPURI-KCQAQPDRSA-N 0 0 330.450 1.163 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N2CCCC2=O)CCN1CCOC ZINC000117301648 280364893 /nfs/dbraw/zinc/36/48/93/280364893.db2.gz ZXUQHPNHLWDLNF-NVXWUHKLSA-N 0 0 339.480 1.203 10 0 EDAERN CCc1c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cnn1CC(C)C ZINC000154072130 281366825 /nfs/dbraw/zinc/36/68/25/281366825.db2.gz SFIUJDKKDXXPCP-QAPCUYQASA-N 0 0 348.491 1.894 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC2(CCO)CC2)[C@@H]1c1ccccc1 ZINC000187998964 289803240 /nfs/dbraw/zinc/80/32/40/289803240.db2.gz VHOOKSPGAJMWKO-RDJZCZTQSA-N 0 0 330.428 1.875 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N2CCN(C3CC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000119342230 289831783 /nfs/dbraw/zinc/83/17/83/289831783.db2.gz MDYLVMJXHPZRHC-WMZOPIPTSA-N 0 0 345.418 1.652 10 0 EDAERN C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cnc1N ZINC000020467588 290395891 /nfs/dbraw/zinc/39/58/91/290395891.db2.gz BDCFCJMEJIQMDZ-QMMMGPOBSA-N 0 0 334.239 1.989 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)CCO2)c1 ZINC000155915445 293002821 /nfs/dbraw/zinc/00/28/21/293002821.db2.gz RELSWGLYDZRMAC-BBRMVZONSA-N 0 0 345.447 1.953 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000081581016 293509903 /nfs/dbraw/zinc/50/99/03/293509903.db2.gz HOCPYGYTDDBDSS-AWEZNQCLSA-N 0 0 327.388 1.419 10 0 EDAERN Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000076698871 294354269 /nfs/dbraw/zinc/35/42/69/294354269.db2.gz COCVCJMNBHXFMO-HUUCEWRRSA-N 0 0 342.399 1.473 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000081579160 302674567 /nfs/dbraw/zinc/67/45/67/302674567.db2.gz LIVXOAMKNGZCDX-DZGCQCFKSA-N 0 0 325.372 1.731 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135579703 302763463 /nfs/dbraw/zinc/76/34/63/302763463.db2.gz OXUYVKGDICHEQT-HZSPNIEDSA-N 0 0 327.450 1.681 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(C)ccc2F)n1 ZINC000183748803 302856615 /nfs/dbraw/zinc/85/66/15/302856615.db2.gz IDRCGQQOEDAOFI-GFCCVEGCSA-N 0 0 341.364 1.588 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000171587752 302944161 /nfs/dbraw/zinc/94/41/61/302944161.db2.gz VNFOQBQOFCERAR-UHFFFAOYSA-N 0 0 333.436 1.407 10 0 EDAERN Cn1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1=O ZINC000176454909 302950036 /nfs/dbraw/zinc/95/00/36/302950036.db2.gz PUBNWGJRZMNUMI-AWEZNQCLSA-N 0 0 341.415 1.681 10 0 EDAERN O[C@H]1[C@H]2OC3(CCCCC3)O[C@@H]2[C@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000101431665 304843055 /nfs/dbraw/zinc/84/30/55/304843055.db2.gz LJLFYCLESOMKAW-YTQIUSBHSA-N 0 0 340.416 1.611 10 0 in-vitro EDAERN O=C(NCc1ccncc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045595175 441007352 /nfs/dbraw/zinc/00/73/52/441007352.db2.gz LLQYIBHGEOWOIB-AWEZNQCLSA-N 0 0 331.397 1.800 10 0 EDAERN CCOC(=O)c1cn(C2CN(C(=O)Cc3cccc(Cl)c3)C2)nn1 ZINC000097941620 441146351 /nfs/dbraw/zinc/14/63/51/441146351.db2.gz YIRZWWMXIPSVNM-UHFFFAOYSA-N 0 0 348.790 1.734 10 0 EDAERN O=C([O-])c1ccc[n+](CCOC(=O)c2cc(Br)c[nH]2)c1 ZINC000013309109 441156694 /nfs/dbraw/zinc/15/66/94/441156694.db2.gz ZQAAVTIFMIDETK-UHFFFAOYSA-O 0 0 340.153 1.620 10 0 EDAERN CCOc1c(=O)c(=O)c1N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015768176 441210526 /nfs/dbraw/zinc/21/05/26/441210526.db2.gz LLAXMCWUJUFOSF-UHFFFAOYSA-N 0 0 334.803 1.970 10 0 EDAERN Cn1c(CN2CCCN(c3cccnn3)CC2)nnc1-c1ccccc1 ZINC000105800467 441273556 /nfs/dbraw/zinc/27/35/56/441273556.db2.gz RSSIPXKEPFKTNX-UHFFFAOYSA-N 0 0 349.442 1.984 10 0 EDAERN COC(=O)c1occc1CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803337 441274935 /nfs/dbraw/zinc/27/49/35/441274935.db2.gz ZYFHWVNXSZSZRY-AWEZNQCLSA-N 0 0 330.388 1.957 10 0 EDAERN C[C@H]1CCCN(C(=O)CN2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000105820437 441278572 /nfs/dbraw/zinc/27/85/72/441278572.db2.gz OUVIXYWQYHIIHO-HKUYNNGSSA-N 0 0 345.487 1.596 10 0 EDAERN COCCN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)C[C@H]1C ZINC000105832135 441285246 /nfs/dbraw/zinc/28/52/46/441285246.db2.gz QUUGZAPTFKDGGZ-HZPDHXFCSA-N 0 0 331.460 1.617 10 0 EDAERN COCCN1CCN(CC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000105832180 441285289 /nfs/dbraw/zinc/28/52/89/441285289.db2.gz ITYNOLXMKXTSQF-INIZCTEOSA-N 0 0 331.460 1.618 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)C[C@H]1C ZINC000105833472 441286110 /nfs/dbraw/zinc/28/61/10/441286110.db2.gz IPQGAQKROUORFR-GMRIPVOYSA-N 0 0 325.497 1.722 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC000105835003 441287703 /nfs/dbraw/zinc/28/77/03/441287703.db2.gz XYBMEDFARCBPQH-INIZCTEOSA-N 0 0 325.497 1.820 10 0 EDAERN CC[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1CCOC ZINC000105835701 441288387 /nfs/dbraw/zinc/28/83/87/441288387.db2.gz PMFYIWQCIVSGPZ-INIZCTEOSA-N 0 0 340.489 1.503 10 0 EDAERN CCOC(=O)[C@@H](C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106140928 441327120 /nfs/dbraw/zinc/32/71/20/441327120.db2.gz RUEYFXIWZVOCJO-MRXNPFEDSA-N 0 0 342.443 1.942 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000106395703 441338290 /nfs/dbraw/zinc/33/82/90/441338290.db2.gz DVKZWNBPUKXBRR-KRWDZBQOSA-N 0 0 345.443 1.564 10 0 EDAERN COC(=O)c1cc(CN2CCCN(Cc3cnn(C)c3)CC2)oc1C ZINC000105869017 441298865 /nfs/dbraw/zinc/29/88/65/441298865.db2.gz ITLHAHJYVNXGFS-UHFFFAOYSA-N 0 0 346.431 1.816 10 0 EDAERN Cc1cccc(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000105869130 441299249 /nfs/dbraw/zinc/29/92/49/441299249.db2.gz NEAADCRTILSUFB-UHFFFAOYSA-N 0 0 341.459 1.875 10 0 EDAERN COc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c(O)c1 ZINC000105875143 441304256 /nfs/dbraw/zinc/30/42/56/441304256.db2.gz ZBVIUQDGNGZGKA-UHFFFAOYSA-N 0 0 344.415 1.482 10 0 EDAERN COc1cccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105888642 441307974 /nfs/dbraw/zinc/30/79/74/441307974.db2.gz DXNXIHLAJFUWAX-MRXNPFEDSA-N 0 0 330.388 1.231 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000105913845 441314925 /nfs/dbraw/zinc/31/49/25/441314925.db2.gz XBNTYIGIFIAGBV-SJORKVTESA-N 0 0 345.487 1.612 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)COC(C)(C)C)CCO2)n1 ZINC000105921675 441317780 /nfs/dbraw/zinc/31/77/80/441317780.db2.gz IRPDXLAKVDGRIR-HOTGVXAUSA-N 0 0 325.453 1.377 10 0 EDAERN CCOc1ccccc1NC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926258 441317978 /nfs/dbraw/zinc/31/79/78/441317978.db2.gz KWRBCDOHMDXSEA-LSDHHAIUSA-N 0 0 335.448 1.675 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](CCO)c1ccccc1 ZINC000083734294 441371907 /nfs/dbraw/zinc/37/19/07/441371907.db2.gz VPCGXQXBIVCUGH-JKSUJKDBSA-N 0 0 343.431 1.887 10 0 EDAERN COCCN(Cc1ccco1)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083750059 441374176 /nfs/dbraw/zinc/37/41/76/441374176.db2.gz SLFNOTGJWQIEGT-AWEZNQCLSA-N 0 0 333.392 1.873 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000083754885 441375161 /nfs/dbraw/zinc/37/51/61/441375161.db2.gz DPJBKIIFUJCIOC-AWEZNQCLSA-N 0 0 343.387 1.575 10 0 EDAERN Cn1ncc(N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1=O ZINC000065313738 441417448 /nfs/dbraw/zinc/41/74/48/441417448.db2.gz IKNLRYOBYBUJBC-CQSZACIVSA-N 0 0 344.390 1.452 10 0 EDAERN COc1ccc(NC(=O)[C@@H]2CCCN(c3cn[nH]c(=O)c3)C2)c(C)c1 ZINC000065313591 441417497 /nfs/dbraw/zinc/41/74/97/441417497.db2.gz BESHCUBJHLOVNS-CYBMUJFWSA-N 0 0 342.399 1.942 10 0 EDAERN COc1ccc(CN2C[C@H]3CN(C(=O)NC(C)C)CCN3C2=O)cc1 ZINC000085436079 441440372 /nfs/dbraw/zinc/44/03/72/441440372.db2.gz SVLKTLUGKLNJPS-OAHLLOKOSA-N 0 0 346.431 1.735 10 0 EDAERN COCCCNC(=O)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109094297 441488537 /nfs/dbraw/zinc/48/85/37/441488537.db2.gz APMITYBPERGAIZ-OLZOCXBDSA-N 0 0 340.370 1.679 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000088199927 441495764 /nfs/dbraw/zinc/49/57/64/441495764.db2.gz WXKZLKDFAPTUCQ-WDEREUQCSA-N 0 0 331.376 1.203 10 0 EDAERN O=S(=O)(NC[C@@H]1CCC[C@@H]1O)c1c(Cl)nc2ccccn21 ZINC000089169729 441527945 /nfs/dbraw/zinc/52/79/45/441527945.db2.gz BYPVZTVWHQMKCT-UWVGGRQHSA-N 0 0 329.809 1.427 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc([S@@](C)=O)cc3)CCO2)c1 ZINC000112068139 441544412 /nfs/dbraw/zinc/54/44/12/441544412.db2.gz NYFLSLBBXFXWIG-OWJWWREXSA-N 0 0 347.440 1.470 10 0 EDAERN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2c[nH]c(=O)cn2)cc1 ZINC000076068328 441592875 /nfs/dbraw/zinc/59/28/75/441592875.db2.gz IBQZLWDRTFTQDU-RHSMWYFYSA-N 0 0 327.384 1.976 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc2ncccc21 ZINC000113298445 441599920 /nfs/dbraw/zinc/59/99/20/441599920.db2.gz KBTHEBNMZIKAFO-NSHDSACASA-N 0 0 329.385 1.120 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1ccc(OC(F)F)cc1 ZINC000054814537 441600115 /nfs/dbraw/zinc/60/01/15/441600115.db2.gz SIVZZJOAAYAFSV-CYBMUJFWSA-N 0 0 326.343 1.910 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(OCC(F)F)nc1 ZINC000090425939 441629235 /nfs/dbraw/zinc/62/92/35/441629235.db2.gz AMBRCGXXYXVPPV-LLVKDONJSA-N 0 0 337.330 1.890 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(OC)c1F ZINC000090441275 441629370 /nfs/dbraw/zinc/62/93/70/441629370.db2.gz IAHGAXLXIUTEJG-LLVKDONJSA-N 0 0 334.351 1.837 10 0 EDAERN [NH3+][C@H](Cc1c[nH]c2ccc(I)cc12)C(=O)[O-] ZINC000114287530 441644363 /nfs/dbraw/zinc/64/43/63/441644363.db2.gz KZMSFQVSICYJHE-SECBINFHSA-N 0 0 330.125 1.727 10 0 EDAERN O=S1(=O)CCN2CCC[C@@H](c3ccc(N4CCOCC4)cc3)C2=N1 ZINC000114742012 441680764 /nfs/dbraw/zinc/68/07/64/441680764.db2.gz CUNPQXSNANEXRR-INIZCTEOSA-N 0 0 349.456 1.445 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](COC)c1ccccc1)CC2 ZINC000114954989 441703869 /nfs/dbraw/zinc/70/38/69/441703869.db2.gz VFKZFXRZFLPDES-HUUCEWRRSA-N 0 0 343.431 1.842 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)Nc3cnn(C)c3)CC2)cn1 ZINC000136734677 441718941 /nfs/dbraw/zinc/71/89/41/441718941.db2.gz MUSSPHCLJLNYGV-UHFFFAOYSA-N 0 0 345.451 1.766 10 0 EDAERN CC(=O)N1CCCN(C(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000173334253 441715909 /nfs/dbraw/zinc/71/59/09/441715909.db2.gz KOZXTTUFADZMKO-HNNXBMFYSA-N 0 0 333.432 1.856 10 0 EDAERN CC(C)Nc1ncccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000173333993 441716372 /nfs/dbraw/zinc/71/63/72/441716372.db2.gz CMEAUZOBMCGJAZ-CQSZACIVSA-N 0 0 329.404 1.640 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3)C2)n1 ZINC000173497780 441769494 /nfs/dbraw/zinc/76/94/94/441769494.db2.gz ILXTWZSIYOZSBE-STQMWFEESA-N 0 0 336.461 1.961 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000173475751 441763286 /nfs/dbraw/zinc/76/32/86/441763286.db2.gz FUMAPUIYTAYMSC-VXGBXAGGSA-N 0 0 343.474 1.528 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000077370858 441764567 /nfs/dbraw/zinc/76/45/67/441764567.db2.gz FSTOAJULJBHFDS-BETUJISGSA-N 0 0 326.824 1.944 10 0 EDAERN C[C@H](C(=O)N[C@@H]1COc2ccccc21)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000121734124 441768171 /nfs/dbraw/zinc/76/81/71/441768171.db2.gz LJEJGPNHYKICJL-GUIRCDHDSA-N 0 0 342.395 1.800 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3ccc(OC)c(O)c3)CC2)n1 ZINC000121506609 441721519 /nfs/dbraw/zinc/72/15/19/441721519.db2.gz XQUBNJIFNSFCMM-UHFFFAOYSA-N 0 0 344.415 1.912 10 0 EDAERN Cn1cc([C@H]2[C@H](C(=O)NOCc3ccccc3)CCC(=O)N2C)cn1 ZINC000115320696 441725608 /nfs/dbraw/zinc/72/56/08/441725608.db2.gz REEHMDFINXWSMP-WBVHZDCISA-N 0 0 342.399 1.578 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)COc3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000173523457 441776266 /nfs/dbraw/zinc/77/62/66/441776266.db2.gz GBDSBTVLCFMIIT-OAHLLOKOSA-N 0 0 330.388 1.709 10 0 EDAERN CN(C(=O)Nc1cccn(C)c1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173526628 441778707 /nfs/dbraw/zinc/77/87/07/441778707.db2.gz JYZFUVGUBQFKEV-CYBMUJFWSA-N 0 0 342.403 1.308 10 0 EDAERN CCCCNC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000042744508 441779172 /nfs/dbraw/zinc/77/91/72/441779172.db2.gz SYXILBNXNSPQRY-CYBMUJFWSA-N 0 0 349.431 1.553 10 0 EDAERN Cc1cnn(CCNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000173554566 441788551 /nfs/dbraw/zinc/78/85/51/441788551.db2.gz IRFQURDMNYUJTG-UHFFFAOYSA-N 0 0 349.460 1.992 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC(C)CC3)C2=O)n(C)n1 ZINC000173560844 441790988 /nfs/dbraw/zinc/79/09/88/441790988.db2.gz MGTMFLUIHWNHKH-AWEZNQCLSA-N 0 0 333.436 1.665 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)COc3c(C)cccc3C)CCO2)[nH]1 ZINC000173558311 441791077 /nfs/dbraw/zinc/79/10/77/441791077.db2.gz XUAYJGKMZMLDDU-AWEZNQCLSA-N 0 0 344.415 1.963 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCC(C)CC3)C2=O)n(C)n1 ZINC000173560859 441791299 /nfs/dbraw/zinc/79/12/99/441791299.db2.gz MGTMFLUIHWNHKH-CQSZACIVSA-N 0 0 333.436 1.665 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)[nH]1 ZINC000173562266 441792332 /nfs/dbraw/zinc/79/23/32/441792332.db2.gz UNHAYCHBJGUQFJ-LLVKDONJSA-N 0 0 348.407 1.406 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)CC2 ZINC000159261235 441798799 /nfs/dbraw/zinc/79/87/99/441798799.db2.gz SLVXDDJBUUYJBE-TZMCWYRMSA-N 0 0 344.415 1.231 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)no1 ZINC000173596540 441801514 /nfs/dbraw/zinc/80/15/14/441801514.db2.gz VRYJTDHETSBYPR-SNVBAGLBSA-N 0 0 333.348 1.792 10 0 EDAERN C[C@H](CC(=O)N1CC[C@@H](c2cnn(C)c2)C1)NC(=O)c1ccccc1 ZINC000116228735 441803655 /nfs/dbraw/zinc/80/36/55/441803655.db2.gz BQYPDDLESDDBQT-GDBMZVCRSA-N 0 0 340.427 1.945 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CC[C@H](c3cnn(C)c3)C2)CCCC1 ZINC000116228534 441803796 /nfs/dbraw/zinc/80/37/96/441803796.db2.gz HIGTUIJIVRWSKE-ZDUSSCGKSA-N 0 0 333.436 1.368 10 0 EDAERN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1nnc2n1CCCC2 ZINC000173627651 441808514 /nfs/dbraw/zinc/80/85/14/441808514.db2.gz XUPAPAXNAZFWKM-JSGCOSHPSA-N 0 0 343.435 1.194 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)NC(=O)NC3CCCCC3)C2)cn1 ZINC000116318678 441810994 /nfs/dbraw/zinc/81/09/94/441810994.db2.gz LKJOOOHBPKGFHG-CYBMUJFWSA-N 0 0 333.436 1.368 10 0 EDAERN C[C@@H](O)c1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173907085 441860217 /nfs/dbraw/zinc/86/02/17/441860217.db2.gz AXKKEZDPLXHLIP-PBHICJAKSA-N 0 0 333.432 1.356 10 0 EDAERN Cc1ccc(CNC(=O)CN2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000173932623 441863496 /nfs/dbraw/zinc/86/34/96/441863496.db2.gz VWQNKZHVXBQYBC-MRXNPFEDSA-N 0 0 335.423 1.157 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cnc4ccccc4c3)C2)cn1 ZINC000116586828 441831280 /nfs/dbraw/zinc/83/12/80/441831280.db2.gz JJKMVADIUSIFIA-CQSZACIVSA-N 0 0 349.394 1.923 10 0 EDAERN CCc1nnc([C@H]2CN(S(=O)(=O)C=Cc3ccccc3)CCO2)[nH]1 ZINC000173738476 441832287 /nfs/dbraw/zinc/83/22/87/441832287.db2.gz DNKRTXMMHJSWMO-BMGYJQCNSA-N 0 0 348.428 1.741 10 0 EDAERN COc1ccc(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000173803196 441842306 /nfs/dbraw/zinc/84/23/06/441842306.db2.gz MSORDJUOJCYFMH-QAPCUYQASA-N 0 0 332.444 1.807 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)CN1CCCC1=O)c1ccccc1C ZINC000173820474 441845397 /nfs/dbraw/zinc/84/53/97/441845397.db2.gz XUUXBTAIBNLBKM-HNNXBMFYSA-N 0 0 332.400 1.728 10 0 EDAERN C[C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173882555 441855507 /nfs/dbraw/zinc/85/55/07/441855507.db2.gz AQELNZMNKXZPFF-AEFFLSMTSA-N 0 0 332.444 1.772 10 0 EDAERN CC(C)[C@](C)(CS(=O)(=O)NCc1cccc(F)c1)NC(N)=S ZINC000148427517 441916758 /nfs/dbraw/zinc/91/67/58/441916758.db2.gz VOYMPNHEFBEEGK-AWEZNQCLSA-N 0 0 347.481 1.493 10 0 EDAERN Cc1nn(C)c(C)c1CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000174089595 441887345 /nfs/dbraw/zinc/88/73/45/441887345.db2.gz KVGUTZLULNCWSF-GFCCVEGCSA-N 0 0 329.404 1.863 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000124431752 441925922 /nfs/dbraw/zinc/92/59/22/441925922.db2.gz WYNJVCLIBHQYIC-UHFFFAOYSA-N 0 0 347.440 1.843 10 0 EDAERN COC(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078370922 441925986 /nfs/dbraw/zinc/92/59/86/441925986.db2.gz KDSYJTKPKNUBPC-VXGBXAGGSA-N 0 0 336.413 1.523 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCc2ccccc2)[C@@H](O)C1 ZINC000146749610 441899805 /nfs/dbraw/zinc/89/98/05/441899805.db2.gz QBBSDMSNGMRKCQ-KGLIPLIRSA-N 0 0 336.388 1.893 10 0 EDAERN O=C(NCc1csc(-c2ccco2)n1)N[C@H]1CCc2ncnn2C1 ZINC000119892054 441970999 /nfs/dbraw/zinc/97/09/99/441970999.db2.gz KRKSSPMCJCRSFA-JTQLQIEISA-N 0 0 344.400 1.809 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cnn(CC4CC4)c3)CCO2)c1 ZINC000174465639 441927556 /nfs/dbraw/zinc/92/75/56/441927556.db2.gz VMQSLHSAYUYAOM-INIZCTEOSA-N 0 0 344.419 1.731 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000150734646 441938873 /nfs/dbraw/zinc/93/88/73/441938873.db2.gz VXHOOFHGFCZRCV-CYBMUJFWSA-N 0 0 332.360 1.389 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000124688205 441945863 /nfs/dbraw/zinc/94/58/63/441945863.db2.gz GHOIQOFRWFHXSG-BBRMVZONSA-N 0 0 346.493 1.536 10 0 EDAERN C[C@]1(CNC(=O)c2cc(Cl)nc(Cl)c2)CCS(=O)(=O)C1 ZINC000095938904 441953050 /nfs/dbraw/zinc/95/30/50/441953050.db2.gz VIDRTUBGBINSNN-GFCCVEGCSA-N 0 0 337.228 1.943 10 0 EDAERN CC(C)N1C[C@H](NC(=O)c2csc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000119797474 441954915 /nfs/dbraw/zinc/95/49/15/441954915.db2.gz GVCRDHWWDGFXLI-JQWIXIFHSA-N 0 0 330.475 1.610 10 0 EDAERN O=C(CCCNC(=O)c1cccnc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000119862077 441965856 /nfs/dbraw/zinc/96/58/56/441965856.db2.gz XRRYYOULNUEGSP-CVEARBPZSA-N 0 0 331.416 1.762 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)o1 ZINC000125204218 441996868 /nfs/dbraw/zinc/99/68/68/441996868.db2.gz NDVMXMJCXHHRTP-LBPRGKRZSA-N 0 0 339.355 1.985 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](Nc1nnc(Cl)cc1C(N)=O)CC2 ZINC000175074461 442001673 /nfs/dbraw/zinc/00/16/73/442001673.db2.gz ZYYFLMHCZGPPQT-QMMMGPOBSA-N 0 0 335.799 1.371 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCc1c[nH]nc1C ZINC000150964942 441981610 /nfs/dbraw/zinc/98/16/10/441981610.db2.gz UXJGQSMCPGGRPJ-CYBMUJFWSA-N 0 0 331.424 1.639 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000150970742 441983244 /nfs/dbraw/zinc/98/32/44/441983244.db2.gz WZLNFUFJBZFPDS-DGCLKSJQSA-N 0 0 347.383 1.964 10 0 EDAERN Cc1cccc(O[C@@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000175113514 442006101 /nfs/dbraw/zinc/00/61/01/442006101.db2.gz RHLKCPOYSDXJDF-KBPBESRZSA-N 0 0 329.404 1.668 10 0 EDAERN CC[C@H](COC)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000175176843 442011545 /nfs/dbraw/zinc/01/15/45/442011545.db2.gz QMTBESFOSOZZMU-OLZOCXBDSA-N 0 0 336.440 1.211 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(F)ccc3O)CC2)n1 ZINC000175230726 442023012 /nfs/dbraw/zinc/02/30/12/442023012.db2.gz LJQRLSGDEJWLKE-NSHDSACASA-N 0 0 348.378 1.996 10 0 EDAERN CCC[C@H](CC)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000125558547 442030107 /nfs/dbraw/zinc/03/01/07/442030107.db2.gz KUGXHVCDOAYVLN-NEPJUHHUSA-N 0 0 337.445 1.809 10 0 EDAERN CC[C@H](CO)NC(=O)c1ccc(NCc2nnnn2C(C)C)cc1 ZINC000120236893 442033984 /nfs/dbraw/zinc/03/39/84/442033984.db2.gz ACPDPIBZIGLLEP-CYBMUJFWSA-N 0 0 332.408 1.367 10 0 EDAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000120243031 442035723 /nfs/dbraw/zinc/03/57/23/442035723.db2.gz KRJYUXDUGXWTOV-KPWVOAKYSA-N 0 0 345.490 1.773 10 0 EDAERN O=S1(=O)N=C(N2CCC(CN3CCOCC3)CC2)c2ccccc21 ZINC000079402744 442045911 /nfs/dbraw/zinc/04/59/11/442045911.db2.gz ZYCGYZPZEVSQPS-UHFFFAOYSA-N 0 0 349.456 1.180 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC(=O)OCC2CC2)[C@H]1c1ccc(F)cc1 ZINC000125761462 442046287 /nfs/dbraw/zinc/04/62/87/442046287.db2.gz MKFYEXIETBOIHM-RHSMWYFYSA-N 0 0 348.374 1.415 10 0 EDAERN CCCN(C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CC1 ZINC000125801769 442050482 /nfs/dbraw/zinc/05/04/82/442050482.db2.gz IBFIEPPKUMDQAA-NSHDSACASA-N 0 0 335.429 1.515 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCOc3ccccc3C)CCO2)[nH]1 ZINC000175432277 442062876 /nfs/dbraw/zinc/06/28/76/442062876.db2.gz YETRLNWVTMDMJJ-HNNXBMFYSA-N 0 0 345.403 1.583 10 0 EDAERN Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)no1 ZINC000120570274 442095514 /nfs/dbraw/zinc/09/55/14/442095514.db2.gz BWYJBVZFQBXIRG-QWRGUYRKSA-N 0 0 337.401 1.559 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCc3cc(F)ccc3F)CCO2)[nH]1 ZINC000175506700 442077069 /nfs/dbraw/zinc/07/70/69/442077069.db2.gz TYTRLPFOZDZCGL-CYBMUJFWSA-N 0 0 337.330 1.674 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000126152476 442083710 /nfs/dbraw/zinc/08/37/10/442083710.db2.gz ZAELXMLCYKYNKT-JTQLQIEISA-N 0 0 344.408 1.470 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000151580296 442087917 /nfs/dbraw/zinc/08/79/17/442087917.db2.gz QBGZJVLYLQYQFK-WDEREUQCSA-N 0 0 347.444 1.672 10 0 EDAERN C[C@@H](NCC(=O)N1CCNC1=O)c1ccccc1Br ZINC000120529332 442088906 /nfs/dbraw/zinc/08/89/06/442088906.db2.gz NJLMGWGBMZCHKQ-SECBINFHSA-N 0 0 326.194 1.652 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(CCOC)CCC1 ZINC000151814838 442124501 /nfs/dbraw/zinc/12/45/01/442124501.db2.gz BTXOHLINKUNBDX-CQSZACIVSA-N 0 0 346.493 1.514 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(C)c3O)C2=O)n(C)n1 ZINC000175819787 442128567 /nfs/dbraw/zinc/12/85/67/442128567.db2.gz HKNMLJZVBXQCNH-CQSZACIVSA-N 0 0 342.399 1.668 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCN(CC(F)F)CC1 ZINC000163202230 442150139 /nfs/dbraw/zinc/15/01/39/442150139.db2.gz KTDYJDBFCLYMJF-GFCCVEGCSA-N 0 0 342.394 1.404 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc2n[nH]c(C)c2c1 ZINC000127149944 442175852 /nfs/dbraw/zinc/17/58/52/442175852.db2.gz LEXVUXCNAHSEEO-LBPRGKRZSA-N 0 0 341.375 1.269 10 0 EDAERN CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176101271 442176518 /nfs/dbraw/zinc/17/65/18/442176518.db2.gz GRHLLNBJHMPCPN-ZDUSSCGKSA-N 0 0 343.387 1.655 10 0 EDAERN CN1C(=O)c2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2C1=O ZINC000121108544 442177852 /nfs/dbraw/zinc/17/78/52/442177852.db2.gz ZLQNRTMUOULXGP-DJJJIMSYSA-N 0 0 342.395 1.680 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)COc3cc(C)ccc3F)CCO2)[nH]1 ZINC000164064868 442189106 /nfs/dbraw/zinc/18/91/06/442189106.db2.gz IOGIBPZNQPWWLP-CQSZACIVSA-N 0 0 334.351 1.540 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cc[nH]c(=O)c1 ZINC000152316976 442196865 /nfs/dbraw/zinc/19/68/65/442196865.db2.gz ODNPRNWJJOVIJR-CQSZACIVSA-N 0 0 347.440 1.582 10 0 EDAERN C[C@H](NC(=O)N[C@H]1COc2ccccc2C1)C(=O)N1CCCCC1 ZINC000152328417 442198173 /nfs/dbraw/zinc/19/81/73/442198173.db2.gz AMRJBEXRPHWXFN-DZGCQCFKSA-N 0 0 331.416 1.690 10 0 EDAERN CN(C)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000121316077 442202340 /nfs/dbraw/zinc/20/23/40/442202340.db2.gz FLDGFXHTLKRQLB-ZFWWWQNUSA-N 0 0 340.445 1.218 10 0 EDAERN Cc1ccn2ncc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)c2n1 ZINC000126917748 442153867 /nfs/dbraw/zinc/15/38/67/442153867.db2.gz NFXCWTYMOWFJER-CYBMUJFWSA-N 0 0 325.376 1.182 10 0 EDAERN O=C(CSCc1ccccn1)N1CCC[C@H](Cn2cncn2)C1 ZINC000126954747 442157220 /nfs/dbraw/zinc/15/72/20/442157220.db2.gz JPRBNDNKIQQGIB-AWEZNQCLSA-N 0 0 331.445 1.845 10 0 EDAERN C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@H]1N1CCOCC1 ZINC000128163543 442249309 /nfs/dbraw/zinc/24/93/09/442249309.db2.gz CSVFVYSIXMLJLZ-CMPLNLGQSA-N 0 0 344.337 1.288 10 0 EDAERN CCO[C@@H](CCNC(=O)N[C@@H]1CCc2ncnn2C1)C1CCCC1 ZINC000176381745 442216711 /nfs/dbraw/zinc/21/67/11/442216711.db2.gz SAUQUXOBIFAIPK-CABCVRRESA-N 0 0 335.452 1.878 10 0 EDAERN Cc1csc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c12 ZINC000167471855 442220964 /nfs/dbraw/zinc/22/09/64/442220964.db2.gz QTIZEDANFINOFX-UHFFFAOYSA-N 0 0 328.401 1.876 10 0 EDAERN CCCCOCCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152567224 442226701 /nfs/dbraw/zinc/22/67/01/442226701.db2.gz ZNYGPXDHHHPHEH-OAHLLOKOSA-N 0 0 335.452 1.904 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2ncccc2O)N2CCOCC2)s1 ZINC000176552231 442233369 /nfs/dbraw/zinc/23/33/69/442233369.db2.gz NOYUHEBWQBUYKH-ZDUSSCGKSA-N 0 0 347.440 1.960 10 0 EDAERN CCCOCC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176567403 442235005 /nfs/dbraw/zinc/23/50/05/442235005.db2.gz XUZMVCZRXSVBPB-AWEZNQCLSA-N 0 0 326.462 1.973 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000176591281 442237923 /nfs/dbraw/zinc/23/79/23/442237923.db2.gz QDONEDPRVVDBLP-STQMWFEESA-N 0 0 334.424 1.203 10 0 EDAERN CNC(=O)c1cccc(CCNC(=O)NCCn2cc(C)cn2)c1 ZINC000128093983 442244282 /nfs/dbraw/zinc/24/42/82/442244282.db2.gz JLGXAIWYHBOICA-UHFFFAOYSA-N 0 0 329.404 1.093 10 0 EDAERN O=C(Nc1ccc2scnc2c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000176656581 442244628 /nfs/dbraw/zinc/24/46/28/442244628.db2.gz UNQNTPLKIZMAPI-JQWIXIFHSA-N 0 0 333.413 1.902 10 0 EDAERN Cc1cc(F)cc2c(O)c(C(=O)NC[C@H]3CN(C)CCO3)cnc12 ZINC000128406985 442264471 /nfs/dbraw/zinc/26/44/71/442264471.db2.gz YCUPMOHRUKVCNC-LBPRGKRZSA-N 0 0 333.363 1.036 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000170813503 442267948 /nfs/dbraw/zinc/26/79/48/442267948.db2.gz CZQBCJKFIGNWHF-HOCLYGCPSA-N 0 0 333.432 1.605 10 0 EDAERN C[C@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000128471825 442268108 /nfs/dbraw/zinc/26/81/08/442268108.db2.gz FJRGHJFQCBHSGD-ZBEGNZNMSA-N 0 0 342.361 1.826 10 0 EDAERN Cc1cccc(CS(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000176993000 442281409 /nfs/dbraw/zinc/28/14/09/442281409.db2.gz AWYBOEUPUQWDPL-DOTOQJQBSA-N 0 0 338.473 1.477 10 0 EDAERN C[C@@H]1C(=O)NCCN1C[C@H](O)COc1cccc(Br)c1 ZINC000170916972 442287953 /nfs/dbraw/zinc/28/79/53/442287953.db2.gz ILAAWPWAULQJKY-PWSUYJOCSA-N 0 0 343.221 1.009 10 0 EDAERN C[C@H]1C(=O)NCCN1C[C@H](O)COc1cccc(Br)c1 ZINC000170916974 442288009 /nfs/dbraw/zinc/28/80/09/442288009.db2.gz ILAAWPWAULQJKY-JQWIXIFHSA-N 0 0 343.221 1.009 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000177257370 442321172 /nfs/dbraw/zinc/32/11/72/442321172.db2.gz SHTJJDGYBXJKMY-BLLLJJGKSA-N 0 0 347.459 1.669 10 0 EDAERN C[C@H](CNC(=O)Nc1ccc(-n2ccnn2)cc1)N1CCOCC1 ZINC000171163796 442321576 /nfs/dbraw/zinc/32/15/76/442321576.db2.gz GWIJLGGEWKFDFX-CYBMUJFWSA-N 0 0 330.392 1.110 10 0 EDAERN O=C(NCc1ccnc(N2CCCC2)c1)N[C@@H]1CCCn2ncnc21 ZINC000177325253 442328708 /nfs/dbraw/zinc/32/87/08/442328708.db2.gz FKFWXQCTDYWEGS-CQSZACIVSA-N 0 0 341.419 1.608 10 0 EDAERN O=C(COc1ccc2ccc(=O)oc2c1)N[C@H]1CCCn2ncnc21 ZINC000177534710 442354004 /nfs/dbraw/zinc/35/40/04/442354004.db2.gz ULIWYDHNYSVVMF-ZDUSSCGKSA-N 0 0 340.339 1.415 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000171281070 442337831 /nfs/dbraw/zinc/33/78/31/442337831.db2.gz OTZMQZCAPSXFIA-CYBMUJFWSA-N 0 0 339.342 1.690 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000130469919 442347960 /nfs/dbraw/zinc/34/79/60/442347960.db2.gz QNEZXIGZJXIDRG-QGZVFWFLSA-N 0 0 346.427 1.666 10 0 EDAERN C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000129249035 442308419 /nfs/dbraw/zinc/30/84/19/442308419.db2.gz BRMUQTHLZOZYQW-GDBMZVCRSA-N 0 0 338.473 1.118 10 0 EDAERN C[C@H]1CN(C(=O)NCCc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000177229581 442316693 /nfs/dbraw/zinc/31/66/93/442316693.db2.gz MFYQGBOTDVCDBN-YOEHRIQHSA-N 0 0 335.423 1.730 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1C)CC2 ZINC000177636875 442365485 /nfs/dbraw/zinc/36/54/85/442365485.db2.gz XMAPKXCXSQFZLT-CYBMUJFWSA-N 0 0 341.415 1.527 10 0 EDAERN O=C(NCc1ccn2ccnc2c1)N1CCC[C@@H](n2cncn2)C1 ZINC000177760857 442381061 /nfs/dbraw/zinc/38/10/61/442381061.db2.gz HCBJRLJRCBJZBU-CQSZACIVSA-N 0 0 325.376 1.473 10 0 EDAERN O=C(NCCCc1ccccc1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177795905 442385930 /nfs/dbraw/zinc/38/59/30/442385930.db2.gz XTDKOINVYGCOAQ-QGZVFWFLSA-N 0 0 340.427 1.623 10 0 EDAERN CC(C)[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)[C@@H](C)C1 ZINC000155402530 442395208 /nfs/dbraw/zinc/39/52/08/442395208.db2.gz PQPUZOVPIHWFTL-HZMBPMFUSA-N 0 0 346.456 1.670 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)o1 ZINC000132520328 442395384 /nfs/dbraw/zinc/39/53/84/442395384.db2.gz CEMNCCPPIKQAGA-JSGCOSHPSA-N 0 0 328.434 1.825 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171988969 442396482 /nfs/dbraw/zinc/39/64/82/442396482.db2.gz SFPPVRGEAVORTJ-QAPCUYQASA-N 0 0 345.443 1.581 10 0 EDAERN COc1ccc(CC(=O)N2CCOC[C@H]2c2nc(C)no2)cc1F ZINC000155456400 442399993 /nfs/dbraw/zinc/39/99/93/442399993.db2.gz HMVSIBDYJPVYRA-ZDUSSCGKSA-N 0 0 335.335 1.668 10 0 EDAERN COc1ccccc1CCC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000155506706 442403476 /nfs/dbraw/zinc/40/34/76/442403476.db2.gz QUQQDYSBJHVJIE-AWEZNQCLSA-N 0 0 331.372 1.919 10 0 EDAERN C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CCS1 ZINC000171571748 442358149 /nfs/dbraw/zinc/35/81/49/442358149.db2.gz VOZKANDZZYDSJR-RYUDHWBXSA-N 0 0 332.429 1.289 10 0 EDAERN CC(=O)N[C@@H](CC(=O)N[C@H]1CCCn2ncnc21)c1ccc(C)cc1 ZINC000177588702 442360268 /nfs/dbraw/zinc/36/02/68/442360268.db2.gz UNOSUTHLAIGNPV-HOTGVXAUSA-N 0 0 341.415 1.805 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177602301 442360951 /nfs/dbraw/zinc/36/09/51/442360951.db2.gz KCCQACDBJHSXBZ-QWHCGFSZSA-N 0 0 349.435 1.876 10 0 EDAERN CC(=O)N(CCC(=O)N[C@@H]1CCCn2ncnc21)Cc1ccccc1 ZINC000177606600 442361916 /nfs/dbraw/zinc/36/19/16/442361916.db2.gz LQGMGRQZFHBHOH-MRXNPFEDSA-N 0 0 341.415 1.668 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177607443 442362280 /nfs/dbraw/zinc/36/22/80/442362280.db2.gz RUDFNQLPFSVASW-LSDHHAIUSA-N 0 0 347.459 1.491 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1nc3ccccc3[nH]1)CC2 ZINC000172253924 442430687 /nfs/dbraw/zinc/43/06/87/442430687.db2.gz IGYOJEHHWRGCQU-GFCCVEGCSA-N 0 0 338.415 1.781 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cccc(N2CCCC2=O)c1)C(C)C ZINC000178415907 442432002 /nfs/dbraw/zinc/43/20/02/442432002.db2.gz ZFHRKMQIZCKXAQ-MRXNPFEDSA-N 0 0 346.431 1.383 10 0 EDAERN O=C(Nc1nc2c(s1)COCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000172259177 442431682 /nfs/dbraw/zinc/43/16/82/442431682.db2.gz LQLPYSRRZMPXDY-LLVKDONJSA-N 0 0 349.416 1.345 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc(O)cc2)ncn1 ZINC000134022209 442446878 /nfs/dbraw/zinc/44/68/78/442446878.db2.gz PSKPKNPNPFQTRF-AWEZNQCLSA-N 0 0 341.415 1.552 10 0 EDAERN CN(C(=O)c1cc(N)nc(Cl)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000172349022 442447966 /nfs/dbraw/zinc/44/79/66/442447966.db2.gz UHDOLERZEKKYHT-LBPRGKRZSA-N 0 0 346.822 1.848 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC000178677987 442455397 /nfs/dbraw/zinc/45/53/97/442455397.db2.gz MODIRTQEHKQKDV-MRXNPFEDSA-N 0 0 340.427 1.861 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)C(C)C ZINC000178686475 442456631 /nfs/dbraw/zinc/45/66/31/442456631.db2.gz RVTWXAJNQIZBLE-QGZVFWFLSA-N 0 0 328.416 1.692 10 0 EDAERN COC(=O)[C@H](N[C@H]1CCc2nnc(C(C)C)n2C1)c1cccnc1 ZINC000178795521 442488052 /nfs/dbraw/zinc/48/80/52/442488052.db2.gz KTYWFIVOHKHICX-DZGCQCFKSA-N 0 0 329.404 1.615 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@](C)(c3ccc(C)cc3C)C2=O)n1C ZINC000178806048 442490557 /nfs/dbraw/zinc/49/05/57/442490557.db2.gz UMSJCTQRRPYTPZ-GOSISDBHSA-N 0 0 341.415 1.962 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000156565766 442495630 /nfs/dbraw/zinc/49/56/30/442495630.db2.gz HWOHFNFYZIXIMM-GWCFXTLKSA-N 0 0 341.358 1.652 10 0 EDAERN CNC(=O)[C@H](NC(=O)C1(c2ccc(C)cc2)CCOCC1)C(C)C ZINC000178848560 442501606 /nfs/dbraw/zinc/50/16/06/442501606.db2.gz DJMHZXUCUXVYSX-MRXNPFEDSA-N 0 0 332.444 1.930 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)C(C)C ZINC000178859120 442506250 /nfs/dbraw/zinc/50/62/50/442506250.db2.gz LHIYYEPWRJFGAH-CQSZACIVSA-N 0 0 338.477 1.635 10 0 EDAERN CCc1nn(C)cc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000179815541 442507756 /nfs/dbraw/zinc/50/77/56/442507756.db2.gz ZREJIYAQDXNNHS-AWEZNQCLSA-N 0 0 333.413 1.631 10 0 EDAERN COC(=O)C1CCC(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000179453061 442459995 /nfs/dbraw/zinc/45/99/95/442459995.db2.gz RZBFSJLRSIQURK-PJPHBNEVSA-N 0 0 340.464 1.581 10 0 EDAERN C[C@H](CNC(=O)N1CCC(c2ccnn2C)CC1)N1CCOCC1 ZINC000156271827 442461885 /nfs/dbraw/zinc/46/18/85/442461885.db2.gz JWJGDVPFDWGIOV-CQSZACIVSA-N 0 0 335.452 1.030 10 0 EDAERN Cc1cc(OCC(=O)NC[C@@H]2CN(C)CCO2)cc(C)c1Cl ZINC000156323377 442467940 /nfs/dbraw/zinc/46/79/40/442467940.db2.gz YGNCCYOAEHAZSC-CQSZACIVSA-N 0 0 326.824 1.782 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NC2CN(C(=O)OC)C2)C1 ZINC000178754304 442475086 /nfs/dbraw/zinc/47/50/86/442475086.db2.gz MGBKBXPTCCZRCS-CYBMUJFWSA-N 0 0 335.408 1.243 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)O1 ZINC000156413980 442477509 /nfs/dbraw/zinc/47/75/09/442477509.db2.gz OCQNPRWQJBDEFM-FMKPAKJESA-N 0 0 332.400 1.350 10 0 EDAERN O=C(c1cc(-n2cccn2)ccn1)N1CCO[C@@H](c2nccs2)C1 ZINC000134899220 442534453 /nfs/dbraw/zinc/53/44/53/442534453.db2.gz GHGHKAUCCKGUSN-CQSZACIVSA-N 0 0 341.396 1.938 10 0 EDAERN O=C(Cc1ccc(-n2cccn2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172763458 442538357 /nfs/dbraw/zinc/53/83/57/442538357.db2.gz QFFCCPWXMKDQOF-GOSISDBHSA-N 0 0 340.427 1.348 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C12CCOCC2 ZINC000186462192 442538946 /nfs/dbraw/zinc/53/89/46/442538946.db2.gz VZYMKRLTUFKWCJ-UHOFOFEASA-N 0 0 333.432 1.920 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)CCCC(=O)NC(C)C)C12CCOCC2 ZINC000186470393 442540880 /nfs/dbraw/zinc/54/08/80/442540880.db2.gz BRPUEJPHLVAVKC-HUUCEWRRSA-N 0 0 340.464 1.772 10 0 EDAERN COCCOCCNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178975877 442542544 /nfs/dbraw/zinc/54/25/44/442542544.db2.gz RLZJENWMPLHAEM-WFASDCNBSA-N 0 0 344.358 1.445 10 0 EDAERN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@@H]1CNC(=O)C1 ZINC000157033143 442543362 /nfs/dbraw/zinc/54/33/62/442543362.db2.gz LOYOHIDSWLWNKO-QMMMGPOBSA-N 0 0 339.277 1.361 10 0 EDAERN COC(=O)C1CCC(C(=O)NCC(=O)Nc2cccc(F)c2)CC1 ZINC000180181369 442554220 /nfs/dbraw/zinc/55/42/20/442554220.db2.gz SUKIJQJNWABIII-UHFFFAOYSA-N 0 0 336.363 1.860 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)/C=C/c3cncc(O)c3)CCO2)cn1 ZINC000191805566 442514505 /nfs/dbraw/zinc/51/45/05/442514505.db2.gz VEEYMEFLOAXBTH-QDLOVBKTSA-N 0 0 328.372 1.617 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000180196307 442557589 /nfs/dbraw/zinc/55/75/89/442557589.db2.gz UIRRLPATTOHSGE-MFKMUULPSA-N 0 0 344.371 1.128 10 0 EDAERN CC(C)c1noc(CCC(=O)N[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000135268244 442574060 /nfs/dbraw/zinc/57/40/60/442574060.db2.gz GZQIUIIBFUUULM-ZDUSSCGKSA-N 0 0 344.419 1.701 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135266422 442574337 /nfs/dbraw/zinc/57/43/37/442574337.db2.gz OSQMJLDBUVMGJJ-LBPRGKRZSA-N 0 0 342.465 1.253 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)CSc1nnnn1C1CC1 ZINC000172970662 442574914 /nfs/dbraw/zinc/57/49/14/442574914.db2.gz ACUGHBICILIJPA-LBPRGKRZSA-N 0 0 347.444 1.822 10 0 EDAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](C(N)=O)C(C)C)C2=O)cc1 ZINC000135329355 442581056 /nfs/dbraw/zinc/58/10/56/442581056.db2.gz XKFGZTYCBPYAEV-CABCVRRESA-N 0 0 346.431 1.300 10 0 EDAERN Cc1ccc(OCC(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)cc1 ZINC000186666043 442586135 /nfs/dbraw/zinc/58/61/35/442586135.db2.gz TXYLEVVYKYUCLS-OAHLLOKOSA-N 0 0 334.416 1.771 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnns2)C12CCCC2 ZINC000192092040 442590555 /nfs/dbraw/zinc/59/05/55/442590555.db2.gz SBGSURMCSJMBPE-MNOVXSKESA-N 0 0 338.433 1.673 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1noc(-c2ccccc2)n1 ZINC000135401935 442590938 /nfs/dbraw/zinc/59/09/38/442590938.db2.gz QESVVYCWJAEIDR-OCCSQVGLSA-N 0 0 345.403 1.427 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)OCC3CC3)C2=O)n(C)n1 ZINC000173067787 442598023 /nfs/dbraw/zinc/59/80/23/442598023.db2.gz OSCOYBYJSGBKDD-OCCSQVGLSA-N 0 0 334.420 1.155 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCCOCc1ccccc1 ZINC000157648372 442600526 /nfs/dbraw/zinc/60/05/26/442600526.db2.gz HPAAYLZAPDBORN-MRXNPFEDSA-N 0 0 333.432 1.903 10 0 EDAERN CC[C@H](C)Oc1cc(CNC(=O)N[C@H]2CCc3ncnn3C2)ccn1 ZINC000180465850 442606327 /nfs/dbraw/zinc/60/63/27/442606327.db2.gz FSQCQDMYKDEARZ-JSGCOSHPSA-N 0 0 344.419 1.665 10 0 EDAERN CS(=O)(=O)c1cccnc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000192186093 442609736 /nfs/dbraw/zinc/60/97/36/442609736.db2.gz MWPOBNNENNBRGK-STQMWFEESA-N 0 0 338.454 1.759 10 0 EDAERN CN(C)c1ncc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cn1 ZINC000179084642 442567690 /nfs/dbraw/zinc/56/76/90/442567690.db2.gz WXKZRWZHYXHLJO-UHFFFAOYSA-N 0 0 343.431 1.422 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC[C@H]1CCO ZINC000180744647 442654502 /nfs/dbraw/zinc/65/45/02/442654502.db2.gz RPMRZQBQOVKAFN-STQMWFEESA-N 0 0 337.424 1.206 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C)C(C)C ZINC000179293718 442614228 /nfs/dbraw/zinc/61/42/28/442614228.db2.gz FKRXECVAHWXWSL-CYBMUJFWSA-N 0 0 348.369 1.492 10 0 EDAERN C[C@@H](CC(=O)N1CCOC[C@H]1C(N)=O)C(=O)c1ccc(Cl)cc1 ZINC000180576814 442625796 /nfs/dbraw/zinc/62/57/96/442625796.db2.gz HHLWEGVJKNGDBP-GWCFXTLKSA-N 0 0 338.791 1.262 10 0 EDAERN Cc1ccc2c(c1)OCCN2S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000157941041 442629378 /nfs/dbraw/zinc/62/93/78/442629378.db2.gz TZEOGDWEMFRBRQ-BETUJISGSA-N 0 0 326.418 1.548 10 0 EDAERN CCOC(=O)CCN(Cc1nnc(C)n1CC)Cc1cccnc1 ZINC000157989236 442634908 /nfs/dbraw/zinc/63/49/08/442634908.db2.gz ZZFSLCAXDBBSNP-UHFFFAOYSA-N 0 0 331.420 1.957 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)[C@H](O)C3CCCCC3)CC2)cn1 ZINC000187797611 442692896 /nfs/dbraw/zinc/69/28/96/442692896.db2.gz JWBQJWWALCKMDN-QGZVFWFLSA-N 0 0 334.464 1.396 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000181460180 442698663 /nfs/dbraw/zinc/69/86/63/442698663.db2.gz AFENMMCKGWWJGF-AWEZNQCLSA-N 0 0 348.447 1.883 10 0 EDAERN O=C(NCCCCCO)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000193015883 442705793 /nfs/dbraw/zinc/70/57/93/442705793.db2.gz QYBBHJDZAUDVSH-CYBMUJFWSA-N 0 0 326.418 1.367 10 0 EDAERN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCOc2ccccc21 ZINC000192616146 442668842 /nfs/dbraw/zinc/66/88/42/442668842.db2.gz OJVLWNDNOCBKIH-CYBMUJFWSA-N 0 0 338.363 1.543 10 0 EDAERN O=C(NCCCOC[C@@H]1CCOC1)N1CCC(c2cc[nH]n2)CC1 ZINC000181001949 442673772 /nfs/dbraw/zinc/67/37/72/442673772.db2.gz SCCKKEIFVWEADN-AWEZNQCLSA-N 0 0 336.436 1.742 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)n2)C1 ZINC000193168127 442719294 /nfs/dbraw/zinc/71/92/94/442719294.db2.gz QUZRHQXESYJQNJ-CYBMUJFWSA-N 0 0 332.404 1.236 10 0 EDAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CCO1 ZINC000181918759 442721768 /nfs/dbraw/zinc/72/17/68/442721768.db2.gz NZSBEJVTAZGBHV-UHOFOFEASA-N 0 0 332.400 1.812 10 0 EDAERN Cc1ccc(C[C@@H](CO)NC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000188252923 442729767 /nfs/dbraw/zinc/72/97/67/442729767.db2.gz GTUYCUMRJRUBRU-LSDHHAIUSA-N 0 0 329.404 1.324 10 0 EDAERN CC(C)CN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1=O ZINC000188290555 442734446 /nfs/dbraw/zinc/73/44/46/442734446.db2.gz VGZQAPQNZYVAHS-AWEZNQCLSA-N 0 0 346.431 1.523 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000193364313 442736293 /nfs/dbraw/zinc/73/62/93/442736293.db2.gz KWUUQRQEWONBFU-RHSMWYFYSA-N 0 0 338.379 1.770 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000193372552 442737219 /nfs/dbraw/zinc/73/72/19/442737219.db2.gz FZUNPEJUAWZWNB-WDBKCZKBSA-N 0 0 340.807 1.205 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000193434020 442742613 /nfs/dbraw/zinc/74/26/13/442742613.db2.gz WAYZOAGYMHXHQN-ZDSQKVDBSA-N 0 0 328.771 1.638 10 0 EDAERN Cn1cnc(CNC(=O)[C@]2(C)CCCCN2C(=O)OC(C)(C)C)n1 ZINC000182330777 442757846 /nfs/dbraw/zinc/75/78/46/442757846.db2.gz FWBAUNOFQBHNEP-INIZCTEOSA-N 0 0 337.424 1.611 10 0 EDAERN Cc1ccc([C@H](C)NCC(=O)Nc2cccc(S(N)(=O)=O)c2)o1 ZINC000193639216 442762647 /nfs/dbraw/zinc/76/26/47/442762647.db2.gz ZPQNUKCAETURBA-NSHDSACASA-N 0 0 337.401 1.525 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000188567454 442764404 /nfs/dbraw/zinc/76/44/04/442764404.db2.gz MMCFEOKFHVDXOF-UHFFFAOYSA-N 0 0 330.409 1.863 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000193763916 442782411 /nfs/dbraw/zinc/78/24/11/442782411.db2.gz QOPSBHOCAUEGTK-UHFFFAOYSA-N 0 0 328.372 1.458 10 0 EDAERN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ncon1 ZINC000188669643 442784614 /nfs/dbraw/zinc/78/46/14/442784614.db2.gz BRFGSBYDCDFSER-LPEHRKFASA-N 0 0 328.344 1.594 10 0 EDAERN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@@H]1CNC(=O)C1 ZINC000188777640 442810991 /nfs/dbraw/zinc/81/09/91/442810991.db2.gz IIIKUEOWMDWWPA-MNOVXSKESA-N 0 0 338.791 1.830 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCN1C[C@H](C)O ZINC000246777434 442813033 /nfs/dbraw/zinc/81/30/33/442813033.db2.gz IQAPLGSCMUPYRX-KSSFIOAISA-N 0 0 344.455 1.662 10 0 EDAERN COCc1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188793640 442815020 /nfs/dbraw/zinc/81/50/20/442815020.db2.gz MZHBIHDQWHEGNJ-UHFFFAOYSA-N 0 0 331.416 1.643 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CCO1 ZINC000182754198 442819004 /nfs/dbraw/zinc/81/90/04/442819004.db2.gz ONPRQKTXYYUXBC-KCXAZCMYSA-N 0 0 331.416 1.385 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1Cl ZINC000182768692 442822287 /nfs/dbraw/zinc/82/22/87/442822287.db2.gz FBQAAPHTQWUWHJ-UHFFFAOYSA-N 0 0 348.790 1.802 10 0 EDAERN Cc1cc(C)n(Cc2cccc(C(=O)N3CCCNC(=O)[C@H]3C)c2)n1 ZINC000188859661 442829502 /nfs/dbraw/zinc/82/95/02/442829502.db2.gz GPUVQADNKKAJMF-OAHLLOKOSA-N 0 0 340.427 1.899 10 0 EDAERN CCOc1ccccc1OCCCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188911073 442841557 /nfs/dbraw/zinc/84/15/57/442841557.db2.gz AJRBHUWSZUBNQS-CQSZACIVSA-N 0 0 334.416 1.981 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)c2)CCN1C[C@H](C)O ZINC000247239965 442843305 /nfs/dbraw/zinc/84/33/05/442843305.db2.gz ZWDLQQYXSBDSQM-RDJZCZTQSA-N 0 0 347.459 1.546 10 0 EDAERN CC(C)c1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247231424 442843330 /nfs/dbraw/zinc/84/33/30/442843330.db2.gz ZGZVINYPGQELIF-GJZGRUSLSA-N 0 0 347.459 1.662 10 0 EDAERN O=C(c1ccnc(F)c1F)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188934186 442845482 /nfs/dbraw/zinc/84/54/82/442845482.db2.gz LCHQHCFZZIIJAC-HNNXBMFYSA-N 0 0 347.365 1.851 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000188950039 442848073 /nfs/dbraw/zinc/84/80/73/442848073.db2.gz UCLOATCKAKEHNM-LBPRGKRZSA-N 0 0 335.379 1.073 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N1CCSc2ccccc21 ZINC000248006104 442876998 /nfs/dbraw/zinc/87/69/98/442876998.db2.gz OLDSFOOOJGPFNI-CQSZACIVSA-N 0 0 333.457 1.678 10 0 EDAERN C[C@H](c1nnnn1C)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000189191616 442894924 /nfs/dbraw/zinc/89/49/24/442894924.db2.gz FJOUMRHLLVHUBU-CYBMUJFWSA-N 0 0 332.456 1.040 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)C[S@@](C)=O ZINC000248483524 442896347 /nfs/dbraw/zinc/89/63/47/442896347.db2.gz JMBVTCSHOZLWGR-YDAYIYJRSA-N 0 0 326.466 1.650 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000182151813 318499471 /nfs/dbraw/zinc/49/94/71/318499471.db2.gz YGGDLHYPBQSFLT-ZIAGYGMSSA-N 0 0 327.469 1.431 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)N(C(C)C)C(C)C)n1C ZINC000182396398 318505594 /nfs/dbraw/zinc/50/55/94/318505594.db2.gz COFIOEWMKYYWPD-UHFFFAOYSA-N 0 0 344.481 1.499 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N(C)c2ccccc2)C1 ZINC000189338425 442924014 /nfs/dbraw/zinc/92/40/14/442924014.db2.gz QGLCHJWPLSGLAT-LSDHHAIUSA-N 0 0 330.388 1.803 10 0 EDAERN COCCN1CCN(C(=O)C(F)(F)c2ncccc2C)C[C@@H]1C ZINC000194667452 442934495 /nfs/dbraw/zinc/93/44/95/442934495.db2.gz DVLXNWLGNJZFOJ-ZDUSSCGKSA-N 0 0 327.375 1.661 10 0 EDAERN O=C(NCCNC(=O)c1ccccc1F)N[C@@H]1COc2ccccc21 ZINC000194695371 442938236 /nfs/dbraw/zinc/93/82/36/442938236.db2.gz IXRTWMWDNAIQJM-OAHLLOKOSA-N 0 0 343.358 1.988 10 0 EDAERN CCCc1c(C(=O)N2CC(NC(=O)C3CC3)C2)[nH]c(C)c1C(=O)OC ZINC000189449569 442957307 /nfs/dbraw/zinc/95/73/07/442957307.db2.gz VTGDHINEAWHBDF-UHFFFAOYSA-N 0 0 347.415 1.413 10 0 EDAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000194187240 318588866 /nfs/dbraw/zinc/58/88/66/318588866.db2.gz SOCLINKLQCHLRX-AWEZNQCLSA-N 0 0 338.371 1.209 10 0 EDAERN CC(C)n1nnnc1CN[C@H](CO)c1cccc(Br)c1 ZINC000183901283 442973969 /nfs/dbraw/zinc/97/39/69/442973969.db2.gz QSYPCIORAMNVFJ-GFCCVEGCSA-N 0 0 340.225 1.840 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CCS(=O)CC1 ZINC000184253900 443005982 /nfs/dbraw/zinc/00/59/82/443005982.db2.gz LRGINPHTCPHINH-GFCCVEGCSA-N 0 0 334.363 1.934 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000184578263 443042410 /nfs/dbraw/zinc/04/24/10/443042410.db2.gz XQPLHLIRXNASPZ-ZDUSSCGKSA-N 0 0 334.424 1.916 10 0 EDAERN COc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1F ZINC000184908558 443096357 /nfs/dbraw/zinc/09/63/57/443096357.db2.gz DZHUYZCZDYDSPR-YPMHNXCESA-N 0 0 338.379 1.749 10 0 EDAERN COCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2cc(C)n[nH]2)n1 ZINC000253412064 443059080 /nfs/dbraw/zinc/05/90/80/443059080.db2.gz PTGCYBKIAGZRKE-JTQLQIEISA-N 0 0 341.318 1.513 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)C1=Cc2ccccc2OCC1 ZINC000184686344 443059423 /nfs/dbraw/zinc/05/94/23/443059423.db2.gz RFJUYOORCQUZEK-CYBMUJFWSA-N 0 0 346.412 1.336 10 0 EDAERN COC(=O)c1cc(I)c([N+](=O)[O-])cc1OC ZINC000219976747 443063137 /nfs/dbraw/zinc/06/31/37/443063137.db2.gz JPZKVYRJVMWABW-UHFFFAOYSA-N 0 0 337.069 1.995 10 0 EDAERN O=C1C[C@@H]2[C@@H](C[C@H](O)[C@H]2/C=C\[C@H](O)COc2cccc(Cl)c2)O1 ZINC000253496111 443072142 /nfs/dbraw/zinc/07/21/42/443072142.db2.gz GNPPCWNVUFFTIJ-VFXPOZFUSA-N 0 0 338.787 1.948 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC000253587043 443074018 /nfs/dbraw/zinc/07/40/18/443074018.db2.gz LONXYBTYIKZXLS-OLZOCXBDSA-N 0 0 329.400 1.468 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000190245269 443076859 /nfs/dbraw/zinc/07/68/59/443076859.db2.gz URJNBJDTXORSTB-LLVKDONJSA-N 0 0 338.358 1.073 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)s1 ZINC000190542040 443132273 /nfs/dbraw/zinc/13/22/73/443132273.db2.gz QCRGKKOKJDADGV-QWRGUYRKSA-N 0 0 325.434 1.872 10 0 EDAERN CCCCn1cc(C(=O)N[C@@H]2CCCn3nc(COC)nc32)c(C)n1 ZINC000184972642 443109087 /nfs/dbraw/zinc/10/90/87/443109087.db2.gz DKAJDWMDAXYEHM-CQSZACIVSA-N 0 0 346.435 1.994 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000190446000 443110062 /nfs/dbraw/zinc/11/00/62/443110062.db2.gz OEQWEMJXWJLILL-SNVBAGLBSA-N 0 0 339.233 1.975 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC000190463594 443114167 /nfs/dbraw/zinc/11/41/67/443114167.db2.gz MBYJNZVCGZSRJU-QGZVFWFLSA-N 0 0 345.443 1.486 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000185236859 443166772 /nfs/dbraw/zinc/16/67/72/443166772.db2.gz QLTACMWUSZAHNJ-WBVHZDCISA-N 0 0 332.400 1.128 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000185285446 443176404 /nfs/dbraw/zinc/17/64/04/443176404.db2.gz VLBZESWVQBETGS-UHFFFAOYSA-N 0 0 332.331 1.673 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H](C)[C@H](C)OC)CC2)n1 ZINC000190660741 443159623 /nfs/dbraw/zinc/15/96/23/443159623.db2.gz ZCACNPBYWXLRKM-AVGNSLFASA-N 0 0 339.440 1.444 10 0 EDAERN CC(C)(O)c1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000185640949 443230971 /nfs/dbraw/zinc/23/09/71/443230971.db2.gz VZIRVJVESGLLFR-QGZVFWFLSA-N 0 0 347.459 1.530 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccnc2ccncc21 ZINC000185678085 443237494 /nfs/dbraw/zinc/23/74/94/443237494.db2.gz UQZORGSDIOVHLW-CYBMUJFWSA-N 0 0 334.383 1.819 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)c3nnc(C)s3)CC2)n1 ZINC000185435837 443199408 /nfs/dbraw/zinc/19/94/08/443199408.db2.gz QYFXNFYWVWKYRN-UHFFFAOYSA-N 0 0 348.432 1.306 10 0 EDAERN C[C@@H]1CN(c2cc(N3C[C@@H](C)O[C@@H](C)C3)n3ncnc3n2)C[C@@H](C)O1 ZINC000190872295 443201392 /nfs/dbraw/zinc/20/13/92/443201392.db2.gz LEGGODQCHHSJDN-SYQHCUMBSA-N 0 0 346.435 1.352 10 0 EDAERN CCn1cc(C(=O)C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)cn1 ZINC000245681367 443244013 /nfs/dbraw/zinc/24/40/13/443244013.db2.gz VHTRWTVAKPPQPK-YUTCNCBUSA-N 0 0 333.388 1.418 10 0 EDAERN O=C(C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCc2c1cccc2F ZINC000185759767 443252758 /nfs/dbraw/zinc/25/27/58/443252758.db2.gz GTGDSOGVLPPTJN-YJYMSZOUSA-N 0 0 346.402 1.868 10 0 EDAERN C[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1nnc2n1CCCC2 ZINC000185875303 443274435 /nfs/dbraw/zinc/27/44/35/443274435.db2.gz YJWOPOZPEONMDY-MRVPVSSYSA-N 0 0 340.334 1.440 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CN(C)CCO2)C1(CC)CC ZINC000246206090 443278638 /nfs/dbraw/zinc/27/86/38/443278638.db2.gz XQBNDDVBIMTUKF-HRCADAONSA-N 0 0 341.496 1.942 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000191340259 443281056 /nfs/dbraw/zinc/28/10/56/443281056.db2.gz JGTDIZBWVBZICM-UHFFFAOYSA-N 0 0 343.305 1.299 10 0 EDAERN CCOC(=O)N1CC[C@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000186039584 443301763 /nfs/dbraw/zinc/30/17/63/443301763.db2.gz SRXFZDIQXDFYLG-HNNXBMFYSA-N 0 0 349.435 1.536 10 0 EDAERN CCCOc1cccc(CCNC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000191502338 443304522 /nfs/dbraw/zinc/30/45/22/443304522.db2.gz CDYXMBKLCFHGHW-CQSZACIVSA-N 0 0 333.432 1.938 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)NCc2cnn(C)c2)cn1 ZINC000275317353 443625251 /nfs/dbraw/zinc/62/52/51/443625251.db2.gz DEQUIDFWBMVTNG-DZGCQCFKSA-N 0 0 331.376 1.153 10 0 EDAERN Cc1nnc(CN(C)[C@@H]2CN(c3nc(C(C)C)ns3)C[C@H]2O)o1 ZINC000328650239 444414290 /nfs/dbraw/zinc/41/42/90/444414290.db2.gz VLCSWZCDQISASF-GHMZBOCLSA-N 0 0 338.437 1.034 10 0 EDAERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000328625241 444399350 /nfs/dbraw/zinc/39/93/50/444399350.db2.gz KNBZGZIERLCCAN-UWVGGRQHSA-N 0 0 336.417 1.973 10 0 EDAERN O=C(/C=C/c1ccc(F)c(Cl)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000376512251 446546330 /nfs/dbraw/zinc/54/63/30/446546330.db2.gz INGVUIAWZQVKJT-OMDKTOEGSA-N 0 0 337.738 1.303 10 0 EDAERN Cc1ncc(C(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)c(C)n1 ZINC000623173602 450433971 /nfs/dbraw/zinc/43/39/71/450433971.db2.gz VVHLUGLYGPJKGL-YMTOWFKASA-N 0 0 343.387 1.956 10 0 EDAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)/C=C/c2ccnn2C)C1 ZINC000375974665 447184711 /nfs/dbraw/zinc/18/47/11/447184711.db2.gz OIECBQWHZABSLG-LQYUOIDQSA-N 0 0 341.415 1.574 10 0 EDAERN CN1CCN(C(=O)C(F)(F)C2(O)CCCC2)C[C@@H]1c1ncc[nH]1 ZINC000376005482 447204930 /nfs/dbraw/zinc/20/49/30/447204930.db2.gz AZTHBGYJXFDODV-LLVKDONJSA-N 0 0 328.363 1.165 10 0 EDAERN COc1c(OC(F)F)ccc(Br)c1S(N)(=O)=O ZINC000575684486 447879939 /nfs/dbraw/zinc/87/99/39/447879939.db2.gz RBLCOMSXYFQCLY-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN CSc1cc(F)c(S(N)(=O)=O)cc1I ZINC000575706260 447882186 /nfs/dbraw/zinc/88/21/86/447882186.db2.gz XIGJHOOWVGRDNM-UHFFFAOYSA-N 0 0 347.174 1.800 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)o1 ZINC000583616391 448442506 /nfs/dbraw/zinc/44/25/06/448442506.db2.gz NCUREKRXPGUMOM-BFHYXJOUSA-N 0 0 329.418 1.447 10 0 EDAERN Cn1c(CN2CCC[C@@](O)(c3cn[nH]n3)C2)nc2cc(Cl)ccc21 ZINC000583617407 448443107 /nfs/dbraw/zinc/44/31/07/448443107.db2.gz HTDAMUGIANHPPC-INIZCTEOSA-N 0 0 346.822 1.828 10 0 EDAERN CC(C)n1cc([C@@]2(O)CCCN(CCOCC(F)(F)F)C2)nn1 ZINC000583617943 448447224 /nfs/dbraw/zinc/44/72/24/448447224.db2.gz MKHOYBDJFXPCPW-CYBMUJFWSA-N 0 0 336.358 1.721 10 0 EDAERN O=C1O[C@@H](O)C([S@](=O)c2ccc(Br)cc2)=C1Cl ZINC000584634432 448587266 /nfs/dbraw/zinc/58/72/66/448587266.db2.gz BHDCQBMPCICCSN-BMLIUANNSA-N 0 0 337.578 1.882 10 0 EDAERN Cc1c2c(ccc1Br)S(=O)(=O)N(C)S2(=O)=O ZINC000521400412 448980183 /nfs/dbraw/zinc/98/01/83/448980183.db2.gz LINZFNKFRISECK-UHFFFAOYSA-N 0 0 326.193 1.080 10 0 EDAERN Cc1cccc(Br)c1C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000618996999 450368262 /nfs/dbraw/zinc/36/82/62/450368262.db2.gz IUIVNOJAXLYYNW-SNVBAGLBSA-N 0 0 325.206 1.966 10 0 EDAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000625596205 450443449 /nfs/dbraw/zinc/44/34/49/450443449.db2.gz JXNTXYNIYNZDED-QWRGUYRKSA-N 0 0 326.201 1.422 10 0 EDAERN NC(=O)c1ccccc1[C@@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000616605112 450455621 /nfs/dbraw/zinc/45/56/21/450455621.db2.gz SLQZIQZONWAMEX-INIZCTEOSA-N 0 0 345.424 1.121 10 0 EDAERN NC(=O)c1ccc([C@@H]2Cc3ccccc3N(S(N)(=O)=O)C2)cc1 ZINC000616669035 450459009 /nfs/dbraw/zinc/45/90/09/450459009.db2.gz JIVGAMNUWKHWFO-CQSZACIVSA-N 0 0 331.397 1.135 10 0 EDAERN Cn1cc(O[C@@H]2CN(c3nccc4ccc(F)cc43)C[C@H]2O)cn1 ZINC000624423158 450844202 /nfs/dbraw/zinc/84/42/02/450844202.db2.gz YXIGIWFOFJOTFW-HZPDHXFCSA-N 0 0 328.347 1.736 10 0 EDAERN Cc1cn(C2CCOCC2)nc1C(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000630355658 451129250 /nfs/dbraw/zinc/12/92/50/451129250.db2.gz KYLMIPQRAKSIRH-CYBMUJFWSA-N 0 0 334.420 1.330 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)C[C@@H](C)O2)n1 ZINC000628859649 451443128 /nfs/dbraw/zinc/44/31/28/451443128.db2.gz QLLMBAHFJFXIMP-NOZJJQNGSA-N 0 0 329.360 1.648 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)C[C@@H](C)O2)n1 ZINC000628861707 451444614 /nfs/dbraw/zinc/44/46/14/451444614.db2.gz DNBCWAGUBLLFLT-MEBBXXQBSA-N 0 0 345.355 1.751 10 0 EDAERN O=C(COc1ccc(F)cc1Br)N[C@@H]1CCOC[C@@H]1O ZINC000629220890 451600838 /nfs/dbraw/zinc/60/08/38/451600838.db2.gz PVSHMLOFEWBJFP-MNOVXSKESA-N 0 0 348.168 1.233 10 0 EDAERN O=C(CCc1cccc(Br)c1)N[C@@H]1CCOC[C@@H]1O ZINC000629219361 451600850 /nfs/dbraw/zinc/60/08/50/451600850.db2.gz CTVBSUUGMDSOFK-OLZOCXBDSA-N 0 0 328.206 1.648 10 0 EDAERN COc1cc(Br)ccc1C(=O)N[C@H]1CCOC[C@H]1O ZINC000629231458 451607473 /nfs/dbraw/zinc/60/74/73/451607473.db2.gz UQDJNVQLWWUQNK-WDEREUQCSA-N 0 0 330.178 1.337 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(Br)c(C)n1 ZINC000664271745 452952419 /nfs/dbraw/zinc/95/24/19/452952419.db2.gz WQHXBLCLKSMTDK-VHSXEESVSA-N 0 0 335.223 1.376 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1c[nH]nc1-c1ccccc1F ZINC000644451123 453475622 /nfs/dbraw/zinc/47/56/22/453475622.db2.gz DIIKGUZONGCRQM-AWEZNQCLSA-N 0 0 346.362 1.528 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(Cl)c1Cl ZINC000091984976 491201635 /nfs/dbraw/zinc/20/16/35/491201635.db2.gz XFCISJVNMXPOBO-SNVBAGLBSA-N 0 0 348.230 1.808 10 0 EDAERN COC[C@H](NC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1)C1CC1 ZINC000119885233 490996425 /nfs/dbraw/zinc/99/64/25/490996425.db2.gz MNUYXXPCRJDGJC-CVEARBPZSA-N 0 0 336.436 1.335 10 0 EDAERN C[C@@H](O)[C@H]1CCN(S(=O)(=O)CCSc2cccc(N)c2)C1 ZINC000167600109 533845666 /nfs/dbraw/zinc/84/56/66/533845666.db2.gz VPNMUYNZLHUNPQ-NEPJUHHUSA-N 0 0 330.475 1.393 10 0 EDAERN C[C@H](CCNC(=O)[C@H](C)N1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000171299728 533934362 /nfs/dbraw/zinc/93/43/62/533934362.db2.gz ZDFIYNFFNXWLTH-KGLIPLIRSA-N 0 0 342.484 1.042 10 0 EDAERN Cc1cc2ccccc2n1CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174300702 534122958 /nfs/dbraw/zinc/12/29/58/534122958.db2.gz UXUXNWJDDZSBDQ-JKSUJKDBSA-N 0 0 329.444 1.863 10 0 EDAERN COc1ccc(OC)c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000173815005 534227261 /nfs/dbraw/zinc/22/72/61/534227261.db2.gz IGMDWXMHPSSXSV-BBRMVZONSA-N 0 0 334.416 1.497 10 0 EDAERN C[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)C[C@H]1N1CCOCC1 ZINC000173802362 534274348 /nfs/dbraw/zinc/27/43/48/534274348.db2.gz SDLJUSLANYQQHN-CEXNOZIFSA-N 0 0 344.411 1.608 10 0 EDAERN O=C(Nc1cccc2cnccc21)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130721646 534374722 /nfs/dbraw/zinc/37/47/22/534374722.db2.gz OEGFKDCPCYWJGX-ZFWWWQNUSA-N 0 0 327.384 1.841 10 0 EDAERN O=C(Nc1ccccc1F)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000177964701 534392437 /nfs/dbraw/zinc/39/24/37/534392437.db2.gz BMQOGFZHEOYZJH-UHFFFAOYSA-N 0 0 343.362 1.657 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@@H]1N1CCOCC1 ZINC000173814205 534399351 /nfs/dbraw/zinc/39/93/51/534399351.db2.gz MKQJKMBTQXCIIX-MFKMUULPSA-N 0 0 342.237 1.570 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)[C@H](C)C2 ZINC000181917296 534442766 /nfs/dbraw/zinc/44/27/66/534442766.db2.gz CWQOSVZQPUGYDA-RDTXWAMCSA-N 0 0 345.443 1.729 10 0 EDAERN NC(=O)c1ccc(CS(=O)(=O)c2ncccc2N)c(Cl)c1 ZINC000163656089 534485321 /nfs/dbraw/zinc/48/53/21/534485321.db2.gz BJXVAUDRGHAARV-UHFFFAOYSA-N 0 0 325.777 1.390 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000079613966 534656765 /nfs/dbraw/zinc/65/67/65/534656765.db2.gz ACCYDVZANHEEAB-AWEZNQCLSA-N 0 0 342.399 1.025 10 0 EDAERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000333443948 534677687 /nfs/dbraw/zinc/67/76/87/534677687.db2.gz QFTVKNRGHGUYLC-STQMWFEESA-N 0 0 347.419 1.133 10 0 EDAERN O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H](n2cncn2)C1 ZINC000179133604 534717199 /nfs/dbraw/zinc/71/71/99/534717199.db2.gz WWMPKRXPGGELHV-GFCCVEGCSA-N 0 0 337.330 1.794 10 0 EDAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@H](c2nccs2)C1 ZINC000171853487 534721389 /nfs/dbraw/zinc/72/13/89/534721389.db2.gz UPMWEXXVGSXTMD-LBPRGKRZSA-N 0 0 330.369 1.526 10 0 EDAERN Nc1cc(CN2CCN3C(=O)NC[C@@H]3C2)ccc1Br ZINC000159365909 534734447 /nfs/dbraw/zinc/73/44/47/534734447.db2.gz MFMDJLFIMVBSHI-SNVBAGLBSA-N 0 0 325.210 1.241 10 0 EDAERN Nc1cnccc1S(=O)(=O)Cc1ccc(Br)cn1 ZINC000168390588 534744832 /nfs/dbraw/zinc/74/48/32/534744832.db2.gz YXMQAOIARZEGHD-UHFFFAOYSA-N 0 0 328.191 1.795 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000156120208 534748270 /nfs/dbraw/zinc/74/82/70/534748270.db2.gz GMQHZJLYGQQWNA-QMTHXVAHSA-N 0 0 345.852 1.633 10 0 EDAERN CC(C)(C)c1nc(CN2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000333039038 534898550 /nfs/dbraw/zinc/89/85/50/534898550.db2.gz CCANNAKNUYYNMR-CQSZACIVSA-N 0 0 347.463 1.248 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCOc2cccc3ccccc32)C1 ZINC000189926585 526707847 /nfs/dbraw/zinc/70/78/47/526707847.db2.gz YPURDAHVDUTTRD-UHFFFAOYSA-N 0 0 327.384 1.749 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)C1 ZINC000190514414 526712640 /nfs/dbraw/zinc/71/26/40/526712640.db2.gz QPBYOKAMMXCEGY-GFCCVEGCSA-N 0 0 339.189 1.272 10 0 EDAERN CC(=O)Nc1cccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173783019 527055424 /nfs/dbraw/zinc/05/54/24/527055424.db2.gz YUGZGJBPHYDJLI-QGZVFWFLSA-N 0 0 346.431 1.261 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@@H](CCC(N)=O)C1)C(C)C ZINC000171427484 527666490 /nfs/dbraw/zinc/66/64/90/527666490.db2.gz QPZMYCSTZMABHB-YOEHRIQHSA-N 0 0 339.480 1.677 10 0 EDAERN CC(C)Nc1ncccc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173980746 527768091 /nfs/dbraw/zinc/76/80/91/527768091.db2.gz ARKSIVYIULYONP-GOEBONIOSA-N 0 0 332.448 1.695 10 0 EDAERN CC(C)CN(CC(C)C)C(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000176571072 527928919 /nfs/dbraw/zinc/92/89/19/527928919.db2.gz ZCKCHPOLRFBEEZ-HSZRJFAPSA-N 0 0 343.497 1.643 10 0 EDAERN CCO[C@H](C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173843822 527994825 /nfs/dbraw/zinc/99/48/25/527994825.db2.gz AHHIYOGRLPVPMK-JQHSSLGASA-N 0 0 332.444 1.943 10 0 EDAERN CCCN1CCO[C@H](c2nsc(I)n2)C1 ZINC000166104580 528248407 /nfs/dbraw/zinc/24/84/07/528248407.db2.gz FJQMPVYGGACLPD-ZETCQYMHSA-N 0 0 339.202 1.926 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C[C@H](O)CSC)CC2)n1 ZINC000187881688 528255456 /nfs/dbraw/zinc/25/54/56/528255456.db2.gz RPMKKYVUFVNOCI-ZDUSSCGKSA-N 0 0 326.466 1.030 10 0 EDAERN CCC[C@H](O)CNC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000154537169 528256634 /nfs/dbraw/zinc/25/66/34/528256634.db2.gz HEZJFINPCVSZPR-BBRMVZONSA-N 0 0 336.432 1.727 10 0 EDAERN CCN[C@@H](C)c1csc(NC(=O)[C@H]2CCCCS2(=O)=O)n1 ZINC000168016184 528389409 /nfs/dbraw/zinc/38/94/09/528389409.db2.gz QEUZAPJZGHXGJM-GXSJLCMTSA-N 0 0 331.463 1.719 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1cn2cccc(C)c2n1 ZINC000184388397 528478148 /nfs/dbraw/zinc/47/81/48/528478148.db2.gz DAWWPSKLUVAFKV-MRXNPFEDSA-N 0 0 330.432 1.760 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H](CO)c1ccccc1)CC2 ZINC000181740052 528480500 /nfs/dbraw/zinc/48/05/00/528480500.db2.gz BNQQBJSPMHBMMO-HUUCEWRRSA-N 0 0 343.431 1.749 10 0 EDAERN CCCNc1ncc(Br)cc1C(=O)NCC[S@](C)=O ZINC000159096972 528573691 /nfs/dbraw/zinc/57/36/91/528573691.db2.gz CXDJHYQWDRBANE-LJQANCHMSA-N 0 0 348.266 1.774 10 0 EDAERN CCCOC(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1 ZINC000148524936 528580028 /nfs/dbraw/zinc/58/00/28/528580028.db2.gz VSMZLALHIFCJMO-UHFFFAOYSA-N 0 0 336.207 1.972 10 0 EDAERN CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000129179431 528700433 /nfs/dbraw/zinc/70/04/33/528700433.db2.gz MKORJSLZIRPGDM-CYBMUJFWSA-N 0 0 343.387 1.137 10 0 EDAERN CCOCCN1CCN(C(=O)CCOC2CCOCC2)C[C@@H]1C ZINC000175423584 528736202 /nfs/dbraw/zinc/73/62/02/528736202.db2.gz BEFBCGPDGNZDEW-HNNXBMFYSA-N 0 0 328.453 1.141 10 0 EDAERN CCCn1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000181218169 528837659 /nfs/dbraw/zinc/83/76/59/528837659.db2.gz XSYNUDZRWQMIKL-AWEZNQCLSA-N 0 0 344.419 1.260 10 0 EDAERN CC1(C)C(=O)N(Cc2ccc(Br)cc2N)S1(=O)=O ZINC000162055911 528863117 /nfs/dbraw/zinc/86/31/17/528863117.db2.gz BGURDCBOWFUSSH-UHFFFAOYSA-N 0 0 333.207 1.482 10 0 EDAERN CCCn1ncc(NC[C@H](C)[S@](C)=O)c(Br)c1=O ZINC000158688100 528884272 /nfs/dbraw/zinc/88/42/72/528884272.db2.gz HGYXVOSTGWGAHN-DCXZOGHSSA-N 0 0 336.255 1.595 10 0 EDAERN CCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCCC2)C1=O ZINC000170050275 528946781 /nfs/dbraw/zinc/94/67/81/528946781.db2.gz OGPZMQDMIFWYOR-UHFFFAOYSA-N 0 0 327.384 1.841 10 0 EDAERN CCC[C@@H](Cc1ccccc1)NC(=O)N1CC(NC(=O)COC)C1 ZINC000185355374 528960223 /nfs/dbraw/zinc/96/02/23/528960223.db2.gz WONUHTVPEPQPQP-HNNXBMFYSA-N 0 0 333.432 1.554 10 0 EDAERN CCN(C(=O)C[S@](=O)Cc1nnnn1C(C)C)c1ccccc1 ZINC000176569300 528974201 /nfs/dbraw/zinc/97/42/01/528974201.db2.gz VOYZYIDPGBVHDB-HSZRJFAPSA-N 0 0 335.433 1.556 10 0 EDAERN CCCCc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)CCC)n[nH]1 ZINC000153411279 529015184 /nfs/dbraw/zinc/01/51/84/529015184.db2.gz NWSBJINOYJGEMV-ZDUSSCGKSA-N 0 0 342.465 1.895 10 0 EDAERN CC(C)[C@H](NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)C(N)=O ZINC000135339218 529097156 /nfs/dbraw/zinc/09/71/56/529097156.db2.gz NIKBKPPEVDOLHM-WFASDCNBSA-N 0 0 329.404 1.742 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000166897053 529163526 /nfs/dbraw/zinc/16/35/26/529163526.db2.gz AMDCICGIFISUCQ-CQSZACIVSA-N 0 0 331.416 1.487 10 0 EDAERN CCSC[C@H](C)Nc1cnn(CCO)c(=O)c1Br ZINC000158857303 529196011 /nfs/dbraw/zinc/19/60/11/529196011.db2.gz YSBGSMKIUAAFFD-QMMMGPOBSA-N 0 0 336.255 1.552 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(=O)[nH]n1 ZINC000187430437 529218909 /nfs/dbraw/zinc/21/89/09/529218909.db2.gz ZWVREUQBOTYPJV-XHDPSFHLSA-N 0 0 328.372 1.965 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC000181859455 529226859 /nfs/dbraw/zinc/22/68/59/529226859.db2.gz YRIQNNMJYJQDKG-IAGOWNOFSA-N 0 0 349.475 1.860 10 0 EDAERN CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@H]1CNC(=O)C1 ZINC000132971217 529365678 /nfs/dbraw/zinc/36/56/78/529365678.db2.gz UNPGDMQQRPVTNP-MEBBXXQBSA-N 0 0 325.796 1.535 10 0 EDAERN CC(C)[C@H](NC(=O)CN1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000247008157 535082082 /nfs/dbraw/zinc/08/20/82/535082082.db2.gz OJAGDBJZCFRXRR-QUCCMNQESA-N 0 0 345.487 1.906 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC)CSC ZINC000091221118 535297433 /nfs/dbraw/zinc/29/74/33/535297433.db2.gz VJNGENTVVSSMGM-STQMWFEESA-N 0 0 336.523 1.791 10 0 EDAERN CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000333063305 535299467 /nfs/dbraw/zinc/29/94/67/535299467.db2.gz NNDWZDLMUGIWCQ-OAGGEKHMSA-N 0 0 349.475 1.542 10 0 EDAERN CCOC(=O)N[C@H](C(=O)N1CCC(Cn2cccn2)CC1)C(C)C ZINC000125902060 535398930 /nfs/dbraw/zinc/39/89/30/535398930.db2.gz WXDODKJSPDSXEB-HNNXBMFYSA-N 0 0 336.436 1.892 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CCO2)C12CCCCC2 ZINC000246609081 535477988 /nfs/dbraw/zinc/47/79/88/535477988.db2.gz KZIIUJQRGUVZRX-HRCADAONSA-N 0 0 339.480 1.744 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2cc(C)ccc2OC)C[C@H]1C ZINC000247374078 535604199 /nfs/dbraw/zinc/60/41/99/535604199.db2.gz VAJLELXVEOUJQJ-MRXNPFEDSA-N 0 0 349.475 1.985 10 0 EDAERN CCn1c(-c2ccc(OC)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512159 535955749 /nfs/dbraw/zinc/95/57/49/535955749.db2.gz KSALKHQBXVOFJY-UHFFFAOYSA-N 0 0 344.371 1.610 10 0 EDAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)N3CCC(C)CC3)CCO2)cn1 ZINC000190787498 536092102 /nfs/dbraw/zinc/09/21/02/536092102.db2.gz DGVKPPGLJKUOOW-RDJZCZTQSA-N 0 0 334.464 1.923 10 0 EDAERN CC[C@H]1CN(C(=O)NC[C@H](C)N2CCOCC2)CCN1CC(F)F ZINC000252736392 536119467 /nfs/dbraw/zinc/11/94/67/536119467.db2.gz URQHNFDBDMSYQB-KBPBESRZSA-N 0 0 348.438 1.078 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC1(OC)CCCCC1)CC2 ZINC000185439385 536163387 /nfs/dbraw/zinc/16/33/87/536163387.db2.gz RMVDRDSGVZIKRQ-CYBMUJFWSA-N 0 0 335.452 1.804 10 0 EDAERN C[NH2+][C@@H](C)Cc1noc(-c2cc(Cl)ccc2[N-]S(C)(=O)=O)n1 ZINC000261624098 536345807 /nfs/dbraw/zinc/34/58/07/536345807.db2.gz CARBIABSVDIDBF-QMMMGPOBSA-N 0 0 344.824 1.912 10 0 EDAERN CN[C@H](C(=O)NC[C@@H](C)Oc1ccccc1Cl)c1cnn(C)c1 ZINC000262280668 536383411 /nfs/dbraw/zinc/38/34/11/536383411.db2.gz WZZOWLZJMSFRPX-ABAIWWIYSA-N 0 0 336.823 1.918 10 0 EDAERN CN1CCc2ccc(S(=O)(=O)N3CCC[C@@H](n4cccn4)C3)cc21 ZINC000333350377 536482944 /nfs/dbraw/zinc/48/29/44/536482944.db2.gz VSZJIAVPTCJCBV-OAHLLOKOSA-N 0 0 346.456 1.901 10 0 EDAERN CO[C@@H](C)[C@H](C)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000188073630 536888757 /nfs/dbraw/zinc/88/87/57/536888757.db2.gz LVMAPWPFXZDVTM-YUMQZZPRSA-N 0 0 332.198 1.693 10 0 EDAERN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2nccn3ccnc23)C1 ZINC000893294437 590759722 /nfs/dbraw/zinc/75/97/22/590759722.db2.gz GORSNOXDULHGFG-INIZCTEOSA-N 0 0 342.428 1.736 10 0 EDAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)Cc2noc3ccccc23)c1 ZINC000888077197 590932388 /nfs/dbraw/zinc/93/23/88/590932388.db2.gz RSIHWBIINITRRO-JJRVBVJISA-N 0 0 326.356 1.366 10 0 EDAERN COc1ccccc1CNC(=O)CN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 ZINC000888077813 590933151 /nfs/dbraw/zinc/93/31/51/590933151.db2.gz WMDZKFGKNZUYGO-HUUCEWRRSA-N 0 0 344.415 1.497 10 0 EDAERN Cc1oc(C2CC2)nc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095839 591026514 /nfs/dbraw/zinc/02/65/14/591026514.db2.gz ZJWJBXOGAWFQEZ-ZOWXZIJZSA-N 0 0 333.388 1.416 10 0 EDAERN CO[C@@H]1COC[C@H]1n1cc(CNCc2cccc3c2NCCC3)nn1 ZINC000894795385 591420149 /nfs/dbraw/zinc/42/01/49/591420149.db2.gz RLJQUXJYKJEMAQ-IAGOWNOFSA-N 0 0 343.431 1.512 10 0 EDAERN Cc1noc(COC2CN(C(=O)C[C@H](O)c3cccc(F)c3)C2)n1 ZINC000818661514 593710987 /nfs/dbraw/zinc/71/09/87/593710987.db2.gz ATVQVXIDJGJPDA-AWEZNQCLSA-N 0 0 335.335 1.368 10 0 EDAERN S=c1n(CN2CCO[C@@H]3CCCC[C@H]32)nnn1C1CCOCC1 ZINC000106062465 595080720 /nfs/dbraw/zinc/08/07/20/595080720.db2.gz OYPPWPNLBGDRTR-ZIAGYGMSSA-N 0 0 339.465 1.761 10 0 EDAERN COCCN1CCN(CN2c3cc(C)cc(C)c3C(=O)C2=O)C[C@H]1C ZINC000117322863 595627982 /nfs/dbraw/zinc/62/79/82/595627982.db2.gz KAMYGZAUSUKIAW-OAHLLOKOSA-N 0 0 345.443 1.443 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccccc2N(C)C(=O)C2CC2)c1 ZINC000117811900 595831626 /nfs/dbraw/zinc/83/16/26/595831626.db2.gz HDRZPCBGDZNMEZ-UHFFFAOYSA-N 0 0 326.400 1.994 10 0 EDAERN Cn1cc([C@H]2CCN(Cn3nc(-c4ccc(F)cc4)oc3=O)C2)cn1 ZINC000116258545 595862970 /nfs/dbraw/zinc/86/29/70/595862970.db2.gz BQLHQJXVFPXDTJ-ZDUSSCGKSA-N 0 0 343.362 1.823 10 0 EDAERN Cc1noc([C@H]2CC(=O)N(C3CN(Cc4ccncc4Cl)C3)C2)n1 ZINC000864313866 596832006 /nfs/dbraw/zinc/83/20/06/596832006.db2.gz YTQZYPOAHUWDDO-LBPRGKRZSA-N 0 0 347.806 1.627 10 0 EDAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)O1 ZINC000130872769 597634909 /nfs/dbraw/zinc/63/49/09/597634909.db2.gz WWZACYFHYBRZME-IINYFYTJSA-N 0 0 337.807 1.782 10 0 EDAERN CC(=O)OC1CCN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000132999630 597918409 /nfs/dbraw/zinc/91/84/09/597918409.db2.gz ITMUHWJWNZADLE-CYBMUJFWSA-N 0 0 349.435 1.453 10 0 EDAERN CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1)C(N)=O ZINC000134974320 598128189 /nfs/dbraw/zinc/12/81/89/598128189.db2.gz DQNJCVZFGHJTMD-WBMJQRKESA-N 0 0 346.431 1.684 10 0 EDAERN CN(C)C(=O)CC1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000180555843 698913233 /nfs/dbraw/zinc/91/32/33/698913233.db2.gz MKMITYSNADKTBW-GJZGRUSLSA-N 0 0 333.432 1.085 10 0 EDAERN COCc1nc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)no1 ZINC000182440922 700783254 /nfs/dbraw/zinc/78/32/54/700783254.db2.gz POIRSUSBWIHXSB-OAHLLOKOSA-N 0 0 332.404 1.067 10 0 EDAERN CN(CC(=O)NC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000125751755 222603818 /nfs/dbraw/zinc/60/38/18/222603818.db2.gz UHCOHUNWLXLTAO-WMLDXEAASA-N 0 0 347.390 1.082 10 0 EDAERN CC[C@@H](C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000054492160 214240644 /nfs/dbraw/zinc/24/06/44/214240644.db2.gz AMUPVEMREQDRDH-SNVBAGLBSA-N 0 0 334.463 1.456 10 0 EDAERN Cc1c(Cl)c(NC(=O)c2cn[nH]c2)c(Cl)cc1S(N)(=O)=O ZINC000062777969 214732566 /nfs/dbraw/zinc/73/25/66/214732566.db2.gz OUIKWISBTITKLB-UHFFFAOYSA-N 0 0 349.199 1.925 10 0 EDAERN Cc1cc(N2CC[C@H](N3CCC(Cn4cccn4)CC3)C2=O)n(C)n1 ZINC000173693941 231008068 /nfs/dbraw/zinc/00/80/68/231008068.db2.gz SBXVOLZJZVUHGL-INIZCTEOSA-N 0 0 342.447 1.443 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3F)CCO2)[nH]1 ZINC000173736776 231018626 /nfs/dbraw/zinc/01/86/26/231018626.db2.gz DJQSELKECAKSBA-LLVKDONJSA-N 0 0 344.343 1.154 10 0 EDAERN COc1ccc([C@H](C)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173810257 231040364 /nfs/dbraw/zinc/04/03/64/231040364.db2.gz RNOLNWORPJZMTJ-RLFYNMQTSA-N 0 0 332.444 1.978 10 0 EDAERN Cc1c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)oc2c1C(=O)CCC2 ZINC000173957986 231080605 /nfs/dbraw/zinc/08/06/05/231080605.db2.gz SKRVVZIZDIYDLU-GXTWGEPZSA-N 0 0 346.427 1.900 10 0 EDAERN Cc1cc(N2CC[C@H](N3CCOCC3)C2)nc(-c2ccncc2)n1 ZINC000173975983 231086919 /nfs/dbraw/zinc/08/69/19/231086919.db2.gz VCEMHFDHNMGOOW-INIZCTEOSA-N 0 0 325.416 1.758 10 0 EDAERN Cc1n[nH]c(C)c1N1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000056937347 214396503 /nfs/dbraw/zinc/39/65/03/214396503.db2.gz CTQXCRYPWBGWCN-UHFFFAOYSA-N 0 0 326.466 1.811 10 0 EDAERN CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)CCO1 ZINC000184078888 529434129 /nfs/dbraw/zinc/43/41/29/529434129.db2.gz JDGGEBYIANUBME-QLFBSQMISA-N 0 0 347.463 1.809 10 0 EDAERN CC[C@@H](CCO)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000158869307 529470889 /nfs/dbraw/zinc/47/08/89/529470889.db2.gz HFKAFTHKDSVFMK-VIFPVBQESA-N 0 0 332.809 1.274 10 0 EDAERN CC[C@@H]1NC(=O)C[C@@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168916779 529462985 /nfs/dbraw/zinc/46/29/85/529462985.db2.gz CSZFMGZBRWSYME-SKDRFNHKSA-N 0 0 340.221 1.860 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1N1CCCC1=O ZINC000174729384 231292910 /nfs/dbraw/zinc/29/29/10/231292910.db2.gz SCUWGSYOEREVAX-OAHLLOKOSA-N 0 0 344.415 1.898 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CCc3ccccc3)C2=O)n(C)n1 ZINC000174973078 231358311 /nfs/dbraw/zinc/35/83/11/231358311.db2.gz LQFGVAXEWHUAST-INIZCTEOSA-N 0 0 340.427 1.973 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000165561100 529590796 /nfs/dbraw/zinc/59/07/96/529590796.db2.gz CPTMCXISUSMYIG-LBPRGKRZSA-N 0 0 341.415 1.993 10 0 EDAERN O=C([C@@H]1CCC(=O)N1Cc1ccccc1)N1CCC2(CC1)OCCO2 ZINC000049668212 214025920 /nfs/dbraw/zinc/02/59/20/214025920.db2.gz DYGVWYMDUDAXQN-INIZCTEOSA-N 0 0 344.411 1.543 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1S(C)(=O)=O ZINC000049676800 214026070 /nfs/dbraw/zinc/02/60/70/214026070.db2.gz FINFEYZRGPQIOO-LLVKDONJSA-N 0 0 330.793 1.538 10 0 EDAERN Cc1c(C(=O)N2CCCCCC2)cnn1[C@@H]1CCS(=O)(=O)C1 ZINC000049658264 214025102 /nfs/dbraw/zinc/02/51/02/214025102.db2.gz YUBLHYMGLISIMX-CYBMUJFWSA-N 0 0 325.434 1.567 10 0 EDAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176098818 231573293 /nfs/dbraw/zinc/57/32/93/231573293.db2.gz BAYLETSCLHRFKI-CYBMUJFWSA-N 0 0 341.371 1.193 10 0 EDAERN C[C@@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)c1cccc(Br)c1 ZINC000049571878 214019809 /nfs/dbraw/zinc/01/98/09/214019809.db2.gz RNLUAOMZEHEZNY-SSDOTTSWSA-N 0 0 338.161 1.317 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000178167683 529699584 /nfs/dbraw/zinc/69/95/84/529699584.db2.gz QDAFVCJNXKZPGN-ZDUSSCGKSA-N 0 0 347.423 1.001 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CCO)c1ccco1 ZINC000187357456 529750494 /nfs/dbraw/zinc/75/04/94/529750494.db2.gz YICXDJFMMFKJEL-VXGBXAGGSA-N 0 0 333.392 1.691 10 0 EDAERN COCCCN1[C@@H](C)CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000062181318 214704021 /nfs/dbraw/zinc/70/40/21/214704021.db2.gz IJLRUJZZOSJLIU-KBPBESRZSA-N 0 0 344.452 1.946 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000129738868 529766949 /nfs/dbraw/zinc/76/69/49/529766949.db2.gz UVWBQCQBQIRQFM-NSHDSACASA-N 0 0 328.844 1.165 10 0 EDAERN C[NH+]1CCN([C@@H](CC(=O)[O-])c2cncc(Br)c2)CC1 ZINC000166726881 529776039 /nfs/dbraw/zinc/77/60/39/529776039.db2.gz WVZYVVKHTSVSCW-LBPRGKRZSA-N 0 0 328.210 1.607 10 0 EDAERN CN(C)c1nc(N)nc(Sc2ccc(S(C)(=O)=O)cc2)n1 ZINC000158963137 529803350 /nfs/dbraw/zinc/80/33/50/529803350.db2.gz LZQVIPOSFLQKHA-UHFFFAOYSA-N 0 0 325.419 1.075 10 0 EDAERN CC(=O)N1CCN(C(=O)Cc2csc(Nc3ccccn3)n2)CC1 ZINC000049451237 214007879 /nfs/dbraw/zinc/00/78/79/214007879.db2.gz HXGLGWIRRLVJDE-UHFFFAOYSA-N 0 0 345.428 1.515 10 0 EDAERN COc1ccc(N2CCN(CC(=O)N[C@H]3CCSC3=O)C2=O)cc1 ZINC000049384515 214003556 /nfs/dbraw/zinc/00/35/56/214003556.db2.gz DERRUKIWSKELPC-ZDUSSCGKSA-N 0 0 349.412 1.086 10 0 EDAERN Cn1ccc2ccc(NC(=O)C(=O)N3CCN4CCCC[C@@H]4C3)cc21 ZINC000177393887 231880660 /nfs/dbraw/zinc/88/06/60/231880660.db2.gz SUBREYAAXMGZFL-MRXNPFEDSA-N 0 0 340.427 1.814 10 0 EDAERN Cn1ncc(Br)c1Cn1nc(N)nc1Br ZINC000725249723 539385834 /nfs/dbraw/zinc/38/58/34/539385834.db2.gz CZLRZZOZGWHNRC-UHFFFAOYSA-N 0 0 335.991 1.167 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](NC(=O)CCC)C1 ZINC000101528120 219132390 /nfs/dbraw/zinc/13/23/90/219132390.db2.gz AZTVJEWEDCRUQU-STQMWFEESA-N 0 0 326.441 1.121 10 0 EDAERN CC(C)(NC(=O)c1cccs1)c1nc2c(c(C(N)=O)n1)OCCO2 ZINC000065293241 214867257 /nfs/dbraw/zinc/86/72/57/214867257.db2.gz IMYDWNIZGUVXGF-UHFFFAOYSA-N 0 0 348.384 1.073 10 0 EDAERN CCCN1CC2=C(C1=O)[C@@H](c1cc(OC)ccc1OC)NC(=O)N2C ZINC000004239870 210149673 /nfs/dbraw/zinc/14/96/73/210149673.db2.gz YHDKOBVIRZFLQG-MRXNPFEDSA-N 0 0 345.399 1.906 10 0 EDAERN CN1C(=O)C[C@@H](NCc2cc(Br)cc3c2OCC3)C1=O ZINC000167835704 530044640 /nfs/dbraw/zinc/04/46/40/530044640.db2.gz SLMQEBLJMMPIIH-LLVKDONJSA-N 0 0 339.189 1.231 10 0 EDAERN COc1ncccc1[C@H]1CC(=O)Nc2cc(NS(C)(=O)=O)ccc21 ZINC000065404822 214895700 /nfs/dbraw/zinc/89/57/00/214895700.db2.gz BMKQGVNBSWUNGK-ZDUSSCGKSA-N 0 0 347.396 1.936 10 0 EDAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCS[C@@H](C)C2)o1 ZINC000178831398 232524238 /nfs/dbraw/zinc/52/42/38/232524238.db2.gz DZEUKLJXRDGGEW-LBPRGKRZSA-N 0 0 348.428 1.735 10 0 EDAERN O=S(=O)(NCCn1cccn1)c1ccc(Br)cc1 ZINC000042543331 213513365 /nfs/dbraw/zinc/51/33/65/213513365.db2.gz SROIFEBPTDUFFY-UHFFFAOYSA-N 0 0 330.207 1.624 10 0 EDAERN O=C(CCc1nc(-c2ncccn2)no1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000067985239 215268280 /nfs/dbraw/zinc/26/82/80/215268280.db2.gz FYZXDTBJBJGHBD-STQMWFEESA-N 0 0 343.387 1.629 10 0 EDAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000104035773 219341254 /nfs/dbraw/zinc/34/12/54/219341254.db2.gz NPGYSKQRHJJIPG-QEJZJMRPSA-N 0 0 344.419 1.537 10 0 EDAERN CCN[C@](C)(C[C@@H](C)SCCS(C)(=O)=O)C(=O)OCC ZINC000068643648 215324453 /nfs/dbraw/zinc/32/44/53/215324453.db2.gz QMHVGZSCEJZYSC-DGCLKSJQSA-N 0 0 325.496 1.474 10 0 EDAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)c1ccccc1F ZINC000104283510 219369041 /nfs/dbraw/zinc/36/90/41/219369041.db2.gz HMSGEAUKGXSCRG-UHFFFAOYSA-N 0 0 327.109 1.321 10 0 EDAERN CS(=O)(=O)CC[S@@](=O)Cc1ccc(N)cc1Br ZINC000104333955 219375770 /nfs/dbraw/zinc/37/57/70/219375770.db2.gz VNSZCPNSGUPDRE-INIZCTEOSA-N 0 0 340.264 1.325 10 0 EDAERN CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)C2CCCC2)CC1 ZINC000040662526 213366692 /nfs/dbraw/zinc/36/66/92/213366692.db2.gz ZTIISTPUCLIUJF-HNNXBMFYSA-N 0 0 328.478 1.982 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C ZINC000180252792 233805480 /nfs/dbraw/zinc/80/54/80/233805480.db2.gz QULGFIBKRJEDCO-WBVHZDCISA-N 0 0 345.443 1.421 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCCO1 ZINC000180991549 234053790 /nfs/dbraw/zinc/05/37/90/234053790.db2.gz NVNLOFCMRIOPJG-NHYWBVRUSA-N 0 0 328.372 1.699 10 0 EDAERN Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000181166882 234102798 /nfs/dbraw/zinc/10/27/98/234102798.db2.gz TZZDRUZPDVDBLN-CQSZACIVSA-N 0 0 341.249 1.747 10 0 EDAERN COC1(CNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CCC1 ZINC000181417017 234179248 /nfs/dbraw/zinc/17/92/48/234179248.db2.gz KNNHAUMWENUNBO-CYBMUJFWSA-N 0 0 338.429 1.773 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1)[C@H]1CCCO1 ZINC000181465098 234194683 /nfs/dbraw/zinc/19/46/83/234194683.db2.gz MHHMCDAJVPSIMK-NFDBFAFTSA-N 0 0 342.392 1.185 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCNCC(F)(F)F ZINC000069454206 215424258 /nfs/dbraw/zinc/42/42/58/215424258.db2.gz AIFAUHBODVMIEJ-WOPDTQHZSA-N 0 0 336.354 1.861 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2cc[nH]n2)c(Br)c1 ZINC000040436385 213303618 /nfs/dbraw/zinc/30/36/18/213303618.db2.gz OSFLVHJXVJJFCT-UHFFFAOYSA-N 0 0 330.207 1.959 10 0 EDAERN Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(N)=O)cc1 ZINC000040299786 213290223 /nfs/dbraw/zinc/29/02/23/213290223.db2.gz ARNYFEZJQISMAZ-UHFFFAOYSA-N 0 0 336.395 1.803 10 0 EDAERN COc1ccc(NC(=O)Cc2ccsc2)cc1S(N)(=O)=O ZINC000040214676 213281547 /nfs/dbraw/zinc/28/15/47/213281547.db2.gz SELXVYRIVRSADL-UHFFFAOYSA-N 0 0 326.399 1.585 10 0 EDAERN O=C(COc1ccc(C(=O)N2CCOCC2)cc1)N1CCCCC1 ZINC000039858026 213243506 /nfs/dbraw/zinc/24/35/06/213243506.db2.gz NMKNCLYQCGOUOV-UHFFFAOYSA-N 0 0 332.400 1.550 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2nc(C(C)(C)C)cs2)C1 ZINC000104797910 283023867 /nfs/dbraw/zinc/02/38/67/283023867.db2.gz VSROWIKTZIXTIL-LLVKDONJSA-N 0 0 326.466 1.570 10 0 EDAERN CNC(=O)[C@@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(C)C ZINC000038807052 213226913 /nfs/dbraw/zinc/22/69/13/213226913.db2.gz QSMZBJYIJROLFF-HOTGVXAUSA-N 0 0 331.416 1.612 10 0 EDAERN CCc1[nH]n(C)c2nnc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1-2 ZINC000177488512 540104939 /nfs/dbraw/zinc/10/49/39/540104939.db2.gz UPWXGORKWOPZHF-AWEZNQCLSA-N 0 0 348.451 1.984 10 0 EDAERN C[C@H]1CN(C)c2ccccc2CN1C(=O)NCC(=O)NCC1CC1 ZINC000183796688 235228920 /nfs/dbraw/zinc/22/89/20/235228920.db2.gz QPMOKKFQCKSMNS-ZDUSSCGKSA-N 0 0 330.432 1.563 10 0 EDAERN CC(C)c1ccnc(N2CCN(C[C@H](O)COC(C)(C)C)CC2)n1 ZINC000185824317 540149238 /nfs/dbraw/zinc/14/92/38/540149238.db2.gz NALNPHMXHUPJCO-HNNXBMFYSA-N 0 0 336.480 1.898 10 0 EDAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185919463 540150109 /nfs/dbraw/zinc/15/01/09/540150109.db2.gz VBRCKRQBMAXILJ-OCCSQVGLSA-N 0 0 349.435 1.389 10 0 EDAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190152976 540169366 /nfs/dbraw/zinc/16/93/66/540169366.db2.gz OVFVVUKZENYANQ-HNNXBMFYSA-N 0 0 342.403 1.709 10 0 EDAERN COC(=O)CN1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1=O ZINC000095936773 291084205 /nfs/dbraw/zinc/08/42/05/291084205.db2.gz LZKTVHYDCARPNA-MRXNPFEDSA-N 0 0 326.393 1.552 10 0 EDAERN O=C([O-])[C@@H]1CCC[N@@H+]1C1CCN(Cc2nnsc2Cl)CC1 ZINC000038042721 213197209 /nfs/dbraw/zinc/19/72/09/213197209.db2.gz UCGXFFCMLWJFQH-NSHDSACASA-N 0 0 330.841 1.705 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000070690022 138202981 /nfs/dbraw/zinc/20/29/81/138202981.db2.gz ACPRCOSEVMEZRN-OAHLLOKOSA-N 0 0 347.459 1.661 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCOC[C@H]1CCCO1 ZINC000083696546 138269431 /nfs/dbraw/zinc/26/94/31/138269431.db2.gz DJXPEIHQGPMHCE-ZIAGYGMSSA-N 0 0 337.424 1.306 10 0 EDAERN CN(C1CCOCC1)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005347 213189420 /nfs/dbraw/zinc/18/94/20/213189420.db2.gz WLGPNCJJDZDQMT-UHFFFAOYSA-N 0 0 328.459 1.261 10 0 EDAERN CCc1nnc(CS(=O)(=O)CC(=O)N2CCCC[C@H]2CC)n1C ZINC000091049458 138281524 /nfs/dbraw/zinc/28/15/24/138281524.db2.gz BFFIMAHHJUYCOY-GFCCVEGCSA-N 0 0 342.465 1.083 10 0 EDAERN COCc1cc(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)ncn1 ZINC000091188342 138282538 /nfs/dbraw/zinc/28/25/38/138282538.db2.gz CGAFLJDFHSSOKH-OAHLLOKOSA-N 0 0 340.383 1.755 10 0 EDAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1 ZINC000038008559 213188197 /nfs/dbraw/zinc/18/81/97/213188197.db2.gz FMKINWRSCKYXIP-JTQLQIEISA-N 0 0 332.809 1.699 10 0 EDAERN C[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000097203800 138296518 /nfs/dbraw/zinc/29/65/18/138296518.db2.gz OQZANPLSUVAIPJ-TZMCWYRMSA-N 0 0 332.425 1.586 10 0 EDAERN C[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000098098226 138297586 /nfs/dbraw/zinc/29/75/86/138297586.db2.gz ZWLJUOANBANUKP-YGRLFVJLSA-N 0 0 333.413 1.180 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3ncoc3C)CC2)cn1 ZINC000105834420 138302235 /nfs/dbraw/zinc/30/22/35/138302235.db2.gz OVAYHTZDGJRNBE-UHFFFAOYSA-N 0 0 331.420 1.938 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@](C)(O)c1ccccc1)CC2 ZINC000114978304 138311056 /nfs/dbraw/zinc/31/10/56/138311056.db2.gz SCXXCIMTBVBNSJ-KBXCAEBGSA-N 0 0 343.431 1.362 10 0 EDAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123413871 138318867 /nfs/dbraw/zinc/31/88/67/138318867.db2.gz IXNONLWTCGPLGU-ACJLOTCBSA-N 0 0 342.399 1.655 10 0 EDAERN C[C@H](CNC(=O)Cc1cccc(Br)c1)N1CCOCC1 ZINC000124024750 138323240 /nfs/dbraw/zinc/32/32/40/138323240.db2.gz MNRVRDJDJXXAKA-GFCCVEGCSA-N 0 0 341.249 1.829 10 0 EDAERN C[C@H]1CN(Cc2nnnn2-c2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000125525764 138334866 /nfs/dbraw/zinc/33/48/66/138334866.db2.gz CXQZRBAKONWTKS-QWRGUYRKSA-N 0 0 339.346 1.873 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000037928767 213173880 /nfs/dbraw/zinc/17/38/80/213173880.db2.gz BZHMTQKJIBQXPY-VIFPVBQESA-N 0 0 335.223 1.489 10 0 EDAERN COc1cccc(CN(C)S(=O)(=O)c2sc(=O)[nH]c2C)c1 ZINC000037859208 213171242 /nfs/dbraw/zinc/17/12/42/213171242.db2.gz HOQFWCCJOQBLKL-UHFFFAOYSA-N 0 0 328.415 1.574 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)no1 ZINC000132001889 138369623 /nfs/dbraw/zinc/36/96/23/138369623.db2.gz ONDIEBAZUODHAP-NSHDSACASA-N 0 0 346.435 1.556 10 0 EDAERN C[C@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)c1nnc2n1CCCC2 ZINC000131730360 138365368 /nfs/dbraw/zinc/36/53/68/138365368.db2.gz TVUJWPKSEXNBEQ-SWLSCSKDSA-N 0 0 339.399 1.985 10 0 EDAERN Cc1ccc(NS(=O)(=O)c2c[nH]nc2N)c(Br)c1 ZINC000037558026 213156838 /nfs/dbraw/zinc/15/68/38/213156838.db2.gz BQXLHIGGPYHCAQ-UHFFFAOYSA-N 0 0 331.195 1.864 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000186302496 235872308 /nfs/dbraw/zinc/87/23/08/235872308.db2.gz QPZJXOQQACNYOX-ZDUSSCGKSA-N 0 0 344.333 1.741 10 0 EDAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000134339974 138406883 /nfs/dbraw/zinc/40/68/83/138406883.db2.gz LTUMJXLDRPJBRN-CYBMUJFWSA-N 0 0 343.387 1.896 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)CCO1 ZINC000037053017 213131227 /nfs/dbraw/zinc/13/12/27/213131227.db2.gz ZIUCDZLKXMWCAX-ZETCQYMHSA-N 0 0 325.217 1.985 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000036124010 213069864 /nfs/dbraw/zinc/06/98/64/213069864.db2.gz NTHRUARUEGFAKU-BETUJISGSA-N 0 0 330.425 1.555 10 0 EDAERN C[C@H]1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)C(C)(C)CO1 ZINC000036102461 213067984 /nfs/dbraw/zinc/06/79/84/213067984.db2.gz FKXRGKFBLSMIKV-LBPRGKRZSA-N 0 0 330.384 1.699 10 0 EDAERN C[C@H](O)C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000187561570 236246673 /nfs/dbraw/zinc/24/66/73/236246673.db2.gz UTOIIWREXQVYFU-XJKSGUPXSA-N 0 0 345.443 1.461 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1Cl ZINC000187987141 236372153 /nfs/dbraw/zinc/37/21/53/236372153.db2.gz ONKLGFCWRGOMNT-UHFFFAOYSA-N 0 0 335.791 1.324 10 0 EDAERN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187988136 236373711 /nfs/dbraw/zinc/37/37/11/236373711.db2.gz MNNWRNYKYIFDCH-UHFFFAOYSA-N 0 0 339.754 1.155 10 0 EDAERN Cc1cc(CNS(=O)(=O)c2ccc(N)c(Br)c2)no1 ZINC000071384915 215766177 /nfs/dbraw/zinc/76/61/77/215766177.db2.gz LCIDEVMNPWTBFG-UHFFFAOYSA-N 0 0 346.206 1.806 10 0 EDAERN O=C(CN1c2ccccc2C(=O)C1=O)c1ccc2c(c1)NC(=O)CO2 ZINC000071435049 215773961 /nfs/dbraw/zinc/77/39/61/215773961.db2.gz OYAKREOHPRRQKQ-UHFFFAOYSA-N 0 0 336.303 1.430 10 0 EDAERN CCOC(=O)CCN(C[C@H](C)O)C(=O)COc1cccc(CC)c1 ZINC000071634442 215791736 /nfs/dbraw/zinc/79/17/36/215791736.db2.gz JFGHLXKUPWHOKH-AWEZNQCLSA-N 0 0 337.416 1.790 10 0 EDAERN COc1ccc(-c2csc3nc(C)n(CC(N)=O)c(=O)c23)cc1 ZINC000071526863 215784559 /nfs/dbraw/zinc/78/45/59/215784559.db2.gz IEQWMTBUUNNECM-UHFFFAOYSA-N 0 0 329.381 1.927 10 0 EDAERN CCOc1ccc(C(=O)CCC(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178706289 138744648 /nfs/dbraw/zinc/74/46/48/138744648.db2.gz IPBASVYUWFGSDF-QGZVFWFLSA-N 0 0 334.416 1.935 10 0 EDAERN CC1CCC2(CC1)OC[C@H](CNC(=O)N[C@@H]1CCc3ncnn3C1)O2 ZINC000180466678 138759463 /nfs/dbraw/zinc/75/94/63/138759463.db2.gz LYRLVEDUXGHKIM-DLOXAQCQSA-N 0 0 349.435 1.214 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCOc2ccc(F)c(F)c2)C1 ZINC000106566458 219667563 /nfs/dbraw/zinc/66/75/63/219667563.db2.gz IROAXFZIGATQKN-GFCCVEGCSA-N 0 0 341.358 1.654 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCc3cnn(C)c3C)CCO2)cn1 ZINC000189686977 237144968 /nfs/dbraw/zinc/14/49/68/237144968.db2.gz KILASHPPSCWAPL-HNNXBMFYSA-N 0 0 332.408 1.228 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000106750576 219689062 /nfs/dbraw/zinc/68/90/62/219689062.db2.gz IBAHLWWFLGYSBG-HNNXBMFYSA-N 0 0 345.399 1.733 10 0 EDAERN Cc1cc(Br)cc(C)c1N[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037692720 213162664 /nfs/dbraw/zinc/16/26/64/213162664.db2.gz YJPZFWYMCHIRIY-MNOVXSKESA-N 0 0 334.235 1.636 10 0 EDAERN Cc1cc(Br)cc(C)c1N[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037692721 213162695 /nfs/dbraw/zinc/16/26/95/213162695.db2.gz YJPZFWYMCHIRIY-QWRGUYRKSA-N 0 0 334.235 1.636 10 0 EDAERN O=C1C=C(N2CCOCC2)C(=O)N1c1ccc(Br)cc1 ZINC000000050753 209389975 /nfs/dbraw/zinc/38/99/75/209389975.db2.gz JGSWTXGQURXAMM-UHFFFAOYSA-N 0 0 337.173 1.538 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NOCc3cccnc3)CCO2)cn1 ZINC000190071234 238194809 /nfs/dbraw/zinc/19/48/09/238194809.db2.gz DOBXNSVAQAOBFG-HNNXBMFYSA-N 0 0 331.376 1.513 10 0 EDAERN COCCC1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCCCC1 ZINC000185472514 138805511 /nfs/dbraw/zinc/80/55/11/138805511.db2.gz QZSDXLGWFVQABO-CQSZACIVSA-N 0 0 335.452 1.879 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190156886 238255620 /nfs/dbraw/zinc/25/56/20/238255620.db2.gz PLBLRVXPFLLJGR-GFCCVEGCSA-N 0 0 331.376 1.961 10 0 EDAERN COc1ccc(NC(=S)c2c(N)[nH]c(N3CCCC3)nc2=O)cc1 ZINC000072450613 216239014 /nfs/dbraw/zinc/23/90/14/216239014.db2.gz CHDRRVPBHBPHFK-UHFFFAOYSA-N 0 0 345.428 1.749 10 0 EDAERN CCc1c(C)nc2n(c1=O)CN(CCCO)CN2c1ccccc1 ZINC000072441717 216235163 /nfs/dbraw/zinc/23/51/63/216235163.db2.gz VILOZZYIVBNCOX-UHFFFAOYSA-N 0 0 328.416 1.865 10 0 EDAERN CCS(=O)(=O)NCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000130087855 223120825 /nfs/dbraw/zinc/12/08/25/223120825.db2.gz WARNSBRYXQLLMS-LBPRGKRZSA-N 0 0 326.418 1.344 10 0 EDAERN O=C(Nc1ccc(-n2cccn2)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130713348 223171359 /nfs/dbraw/zinc/17/13/59/223171359.db2.gz DPYNTLWZXZIBFE-CJNGLKHVSA-N 0 0 342.399 1.478 10 0 EDAERN C[C@H](CC(=O)NC[C@@H](C)N1CCOCC1)C(=O)c1cccc(F)c1 ZINC000072899485 216325691 /nfs/dbraw/zinc/32/56/91/216325691.db2.gz IIWTZKLQBQLKRS-ZIAGYGMSSA-N 0 0 336.407 1.872 10 0 EDAERN Cc1cc(N2CC[C@H](N3CC[C@H](Oc4ccncc4)C3)C2=O)n(C)n1 ZINC000131913740 223282954 /nfs/dbraw/zinc/28/29/54/223282954.db2.gz OQINZZPZOMGDEC-HOTGVXAUSA-N 0 0 341.415 1.382 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000187675125 138828563 /nfs/dbraw/zinc/82/85/63/138828563.db2.gz GSESRSFPFMVXQV-AWEZNQCLSA-N 0 0 334.445 1.941 10 0 EDAERN CCNC(=O)NC(=O)[C@H](C)NCc1cc(F)ccc1Br ZINC000038039311 213195997 /nfs/dbraw/zinc/19/59/97/213195997.db2.gz DIIZFMQTSNCASZ-QMMMGPOBSA-N 0 0 346.200 1.912 10 0 EDAERN Cc1cc(C)nc(SCC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188568921 138845106 /nfs/dbraw/zinc/84/51/06/138845106.db2.gz PMHKBYUVGQOSBU-UHFFFAOYSA-N 0 0 334.445 1.313 10 0 EDAERN Cc1ccc(OCCNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188770814 138851285 /nfs/dbraw/zinc/85/12/85/138851285.db2.gz QHKTYMSEAIHHDV-UHFFFAOYSA-N 0 0 331.416 1.684 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3CSCCS3)C2)cn1 ZINC000132388563 223326341 /nfs/dbraw/zinc/32/63/41/223326341.db2.gz FKBDXQSULCWDGF-DGCLKSJQSA-N 0 0 326.491 1.768 10 0 EDAERN Cc1nc([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)cc(=O)[nH]1 ZINC000023128482 212351753 /nfs/dbraw/zinc/35/17/53/212351753.db2.gz HQOHMLFSDMPJOW-GFCCVEGCSA-N 0 0 342.399 1.965 10 0 EDAERN CC[C@H](C(=O)OC(C)C)n1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000019990888 212093014 /nfs/dbraw/zinc/09/30/14/212093014.db2.gz UCQVMGFARUTBDJ-SECBINFHSA-N 0 0 337.401 1.768 10 0 EDAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000195111397 139007218 /nfs/dbraw/zinc/00/72/18/139007218.db2.gz DNWQBZXDQPOULD-CZUORRHYSA-N 0 0 344.411 1.935 10 0 EDAERN CSC1(CNC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)CC1 ZINC000195159181 139008302 /nfs/dbraw/zinc/00/83/02/139008302.db2.gz AZAPAXBFXILZHR-CQSZACIVSA-N 0 0 338.477 1.806 10 0 EDAERN O=C(CN1CCN(C2CC2)CC1)Nc1nc(CN2CCCC2)cs1 ZINC000195217134 139010523 /nfs/dbraw/zinc/01/05/23/139010523.db2.gz VOPXWMUCOTUKNV-UHFFFAOYSA-N 0 0 349.504 1.457 10 0 EDAERN O=C(CN1CCCC[C@H]1c1nnc2n1CCCC2)Nc1nncs1 ZINC000195511813 139018713 /nfs/dbraw/zinc/01/87/13/139018713.db2.gz WLOGJGNFKBEMLZ-NSHDSACASA-N 0 0 347.448 1.632 10 0 EDAERN Cc1cc(S(N)(=O)=O)c(C)cc1OCCOCC(F)(F)F ZINC000049311458 214000197 /nfs/dbraw/zinc/00/01/97/214000197.db2.gz IEKKRCJAAZAWOB-UHFFFAOYSA-N 0 0 327.324 1.909 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CCC(=O)Nc1ccccc1F ZINC000195519816 139019469 /nfs/dbraw/zinc/01/94/69/139019469.db2.gz KKDPFHUBHMJQNU-UHFFFAOYSA-N 0 0 339.392 1.986 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000195519870 139019612 /nfs/dbraw/zinc/01/96/12/139019612.db2.gz GBAMBQGMWIVEJQ-ZDUSSCGKSA-N 0 0 347.440 1.796 10 0 EDAERN COc1ccccc1CNC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000195521382 139019931 /nfs/dbraw/zinc/01/99/31/139019931.db2.gz QEGMWHOBCGCHFV-OAHLLOKOSA-N 0 0 347.440 1.841 10 0 EDAERN O=C(NCCOc1ncccc1Cl)N[C@@H]1CCc2ncnn2C1 ZINC000135847808 223609557 /nfs/dbraw/zinc/60/95/57/223609557.db2.gz GZMJNUOWFMMHGX-SNVBAGLBSA-N 0 0 336.783 1.020 10 0 EDAERN O=C(Nc1ccc2ncccc2c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000078991217 217167949 /nfs/dbraw/zinc/16/79/49/217167949.db2.gz UEHJOYXFTPYQFG-CZUORRHYSA-N 0 0 327.384 1.841 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cccc(C(N)=O)c3)CCO2)n1 ZINC000110897967 220076570 /nfs/dbraw/zinc/07/65/70/220076570.db2.gz VGMSEXJGWGRTGK-MRXNPFEDSA-N 0 0 342.399 1.140 10 0 EDAERN CCc1ccc(OCC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111086177 220098489 /nfs/dbraw/zinc/09/84/89/220098489.db2.gz UKTKQZLPHXOQLU-QGZVFWFLSA-N 0 0 329.400 1.752 10 0 EDAERN C[S@](=O)Cc1cccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111089067 220099026 /nfs/dbraw/zinc/09/90/26/220099026.db2.gz VKEZKUQAZQKQPO-UPCLLVRISA-N 0 0 347.440 1.303 10 0 EDAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H]1C[C@@H]1C ZINC000111599336 220168401 /nfs/dbraw/zinc/16/84/01/220168401.db2.gz QNVDVFNDLFQIRP-CABZTGNLSA-N 0 0 339.351 1.719 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000112004371 220228511 /nfs/dbraw/zinc/22/85/11/220228511.db2.gz RDTFOXLBWVIYEN-HZMBPMFUSA-N 0 0 329.393 1.917 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000081583958 217423415 /nfs/dbraw/zinc/42/34/15/217423415.db2.gz OUTYKBIYGCNGLM-AWEZNQCLSA-N 0 0 340.387 1.381 10 0 EDAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)NC[C@H](C)N2CCOCC2)CCO1 ZINC000245537724 139078341 /nfs/dbraw/zinc/07/83/41/139078341.db2.gz YNPQHGSXKHGJOL-XIRDDKMYSA-N 0 0 341.496 1.990 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)c1 ZINC000112093833 220242177 /nfs/dbraw/zinc/24/21/77/220242177.db2.gz UJKLNTONMZXTIP-CYBMUJFWSA-N 0 0 339.392 1.420 10 0 EDAERN C[C@@H](O)C(C)(C)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000145305359 223721009 /nfs/dbraw/zinc/72/10/09/223721009.db2.gz TWKCSJQXYPRHIO-SSDOTTSWSA-N 0 0 332.809 1.272 10 0 EDAERN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000245766785 139085642 /nfs/dbraw/zinc/08/56/42/139085642.db2.gz WOEKTVKSGSTLEB-HZUKXOBISA-N 0 0 346.427 1.681 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)cc1C ZINC000083754933 217555954 /nfs/dbraw/zinc/55/59/54/217555954.db2.gz LJCUQFDENAOQFM-ZDUSSCGKSA-N 0 0 331.351 1.624 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(C)cc1F ZINC000083755123 217556103 /nfs/dbraw/zinc/55/61/03/217556103.db2.gz CVROXUSGSDUVSA-ZDUSSCGKSA-N 0 0 331.351 1.624 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCC2)O1)N[C@@H]1CCCC[C@H]1CO ZINC000245885952 139088547 /nfs/dbraw/zinc/08/85/47/139088547.db2.gz LMQARTRQVBCFNQ-RRFJBIMHSA-N 0 0 326.437 1.913 10 0 EDAERN C[C@@H](NC(=O)N1C[C@@H](C)OC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000245905408 139089255 /nfs/dbraw/zinc/08/92/55/139089255.db2.gz FEJNVOZBLRUTPC-YNEHKIRRSA-N 0 0 340.445 1.970 10 0 EDAERN COc1cc(N)c(Cl)cc1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246220561 139099791 /nfs/dbraw/zinc/09/97/91/139099791.db2.gz GRRQJHVQGUUKIR-QWRGUYRKSA-N 0 0 341.839 1.458 10 0 EDAERN O=C(NCCN1CCc2sccc2C1)N[C@H]1CCCC[C@H]1CO ZINC000246174506 139097724 /nfs/dbraw/zinc/09/77/24/139097724.db2.gz JLHCJORCWVYVTB-GJZGRUSLSA-N 0 0 337.489 1.957 10 0 EDAERN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)N[C@@H]1CCCC[C@H]1CO ZINC000246268158 139101707 /nfs/dbraw/zinc/10/17/07/139101707.db2.gz VNNDVVRLDIMMGF-NWANDNLSSA-N 0 0 349.406 1.781 10 0 EDAERN CCc1nc2n(n1)C[C@H](Nc1cc(N3CCC[C@H]3CO)ncn1)CC2 ZINC000246270528 139101994 /nfs/dbraw/zinc/10/19/94/139101994.db2.gz QJVALGOPIWDKBH-OLZOCXBDSA-N 0 0 343.435 1.019 10 0 EDAERN C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@H]1N1CCOCC1 ZINC000246616856 139115271 /nfs/dbraw/zinc/11/52/71/139115271.db2.gz YPERYVGRFQJRMG-FCGDIQPGSA-N 0 0 349.519 1.820 10 0 EDAERN CCNS(=O)(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246825453 139123231 /nfs/dbraw/zinc/12/32/31/139123231.db2.gz UMOGGJWNMSWELA-RYUDHWBXSA-N 0 0 338.351 1.667 10 0 EDAERN Cc1ccc(O[C@H](C)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000246892821 139125719 /nfs/dbraw/zinc/12/57/19/139125719.db2.gz HFCOKORUIGKJMG-NUJGCVRESA-N 0 0 332.444 1.941 10 0 EDAERN COc1ccc(CN(C)C(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246987531 139129776 /nfs/dbraw/zinc/12/97/76/139129776.db2.gz AUKDKJIKDLQKLP-CVEARBPZSA-N 0 0 349.475 1.041 10 0 EDAERN CCCn1c2[nH]c(-c3ccc(N)cc3)nc2c(=O)n(CCC)c1=O ZINC000013559713 211578429 /nfs/dbraw/zinc/57/84/29/211578429.db2.gz OVKATKHCHDIEJO-UHFFFAOYSA-N 0 0 327.388 1.956 10 0 EDAERN Cc1ccc(N2CCCN([C@H](C)C(=O)NC3CCCC3)CC2)nn1 ZINC000247021919 139131876 /nfs/dbraw/zinc/13/18/76/139131876.db2.gz CRVBNZCJSWNUID-OAHLLOKOSA-N 0 0 331.464 1.744 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000088817288 217770863 /nfs/dbraw/zinc/77/08/63/217770863.db2.gz ZXWKAGRTZSNCMF-LBPRGKRZSA-N 0 0 349.341 1.709 10 0 EDAERN Cc1ccc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1O ZINC000089442275 217799314 /nfs/dbraw/zinc/79/93/14/217799314.db2.gz DHVZOVNOUXCMDQ-HNNXBMFYSA-N 0 0 326.400 1.818 10 0 EDAERN O=C([C@H]1CCOc2ccc(Cl)cc21)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000329595920 284567731 /nfs/dbraw/zinc/56/77/31/284567731.db2.gz VQIQRTGYNOFKQT-CMPLNLGQSA-N 0 0 349.774 1.809 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@@H]1C ZINC000247229751 139141403 /nfs/dbraw/zinc/14/14/03/139141403.db2.gz RDRVQMIWHGKHIW-OKZBNKHCSA-N 0 0 347.503 1.947 10 0 EDAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC000247470371 139149503 /nfs/dbraw/zinc/14/95/03/139149503.db2.gz GWWSYCLUOOYCHW-SOUVJXGZSA-N 0 0 342.465 1.182 10 0 EDAERN CSc1ccc(C(=O)[C@H]2CCCN(C(=O)Cn3cnnn3)C2)cc1 ZINC000012385311 211363461 /nfs/dbraw/zinc/36/34/61/211363461.db2.gz MFADBUIBSZEHCD-ZDUSSCGKSA-N 0 0 345.428 1.517 10 0 EDAERN O[C@@]12CCCC[C@H]1CN(Cc1cn(Cc3cccnc3)nn1)CC2 ZINC000248445578 139164261 /nfs/dbraw/zinc/16/42/61/139164261.db2.gz CCGNHGPWUKNQMB-FUHWJXTLSA-N 0 0 327.432 1.848 10 0 EDAERN Cc1cccc([C@H]2CCCN(C(=O)C3CCN(CC(N)=O)CC3)C2)c1 ZINC000091474970 218011929 /nfs/dbraw/zinc/01/19/29/218011929.db2.gz WKBKHUVVUJAEDT-SFHVURJKSA-N 0 0 343.471 1.898 10 0 EDAERN CCCS(=O)(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248625846 139168900 /nfs/dbraw/zinc/16/89/00/139168900.db2.gz OAPRBYAZBANIBV-AVGNSLFASA-N 0 0 332.466 1.961 10 0 EDAERN Cc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@H]3C(N)=O)s2)o1 ZINC000091778919 218064248 /nfs/dbraw/zinc/06/42/48/218064248.db2.gz XTBFFRYCOASSBF-JTQLQIEISA-N 0 0 335.385 1.346 10 0 EDAERN CCCCCCOc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091783289 218066029 /nfs/dbraw/zinc/06/60/29/218066029.db2.gz DFIOFWCDVMVTMC-MRXNPFEDSA-N 0 0 334.416 1.972 10 0 EDAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000092230909 218127597 /nfs/dbraw/zinc/12/75/97/218127597.db2.gz GIFBXMJBQNXXMT-KRWDZBQOSA-N 0 0 339.395 1.478 10 0 EDAERN Cc1nc(CN2CCOC[C@H]2C(N)=O)oc1-c1ccc(Cl)cc1 ZINC000092421499 218140021 /nfs/dbraw/zinc/14/00/21/218140021.db2.gz GQALUZLJGNYAGN-ZDUSSCGKSA-N 0 0 335.791 1.990 10 0 EDAERN CCc1cnc2c(c(=O)n(Cc3ccccn3)c(=O)n2C)c1OC ZINC000009571564 211102215 /nfs/dbraw/zinc/10/22/15/211102215.db2.gz YVDFXCDUWPHPHS-UHFFFAOYSA-N 0 0 326.356 1.110 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)c2c(F)cccc2F)n1 ZINC000249380713 139192208 /nfs/dbraw/zinc/19/22/08/139192208.db2.gz ZWFJWGRPISRUID-QWHCGFSZSA-N 0 0 325.315 1.763 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCNC(=O)c1ccco1 ZINC000249300335 139190833 /nfs/dbraw/zinc/19/08/33/139190833.db2.gz DHTCCQFPTVCUKP-MCIONIFRSA-N 0 0 348.399 1.732 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)c2ccc(F)cc2F)n1 ZINC000249353550 139191514 /nfs/dbraw/zinc/19/15/14/139191514.db2.gz QJHYVEYHSIMGQR-UONOGXRCSA-N 0 0 325.315 1.763 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H]1CS(=O)(=O)c1ncccn1 ZINC000095085994 218277606 /nfs/dbraw/zinc/27/76/06/218277606.db2.gz DGQAISFXQAHGJU-NSHDSACASA-N 0 0 327.406 1.650 10 0 EDAERN NS(=O)(=O)c1ccc(OCCN2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000249736571 139197937 /nfs/dbraw/zinc/19/79/37/139197937.db2.gz WHWJMOPQUAEHME-HZPDHXFCSA-N 0 0 340.445 1.356 10 0 EDAERN CN(CC(=O)c1cnccn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074795 218272770 /nfs/dbraw/zinc/27/27/70/218272770.db2.gz BNWPKLODYDJGIY-ZDUSSCGKSA-N 0 0 334.420 1.991 10 0 EDAERN CC(C)[C@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)c1nccn1C ZINC000095400945 218335479 /nfs/dbraw/zinc/33/54/79/218335479.db2.gz QLYKDZKCEYKILO-BBRMVZONSA-N 0 0 334.424 1.058 10 0 EDAERN CC(C)[C@@H](NC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1nccn1C ZINC000095400948 218335887 /nfs/dbraw/zinc/33/58/87/218335887.db2.gz QLYKDZKCEYKILO-CZUORRHYSA-N 0 0 334.424 1.058 10 0 EDAERN Cc1nnc([C@@H](NS(=O)(=O)c2cncc(Cl)c2)C(C)C)[nH]1 ZINC000095437316 218380350 /nfs/dbraw/zinc/38/03/50/218380350.db2.gz LOKUZZOUBSJVJD-NSHDSACASA-N 0 0 329.813 1.837 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)Cc1c(F)cccc1F ZINC000188209518 272955214 /nfs/dbraw/zinc/95/52/14/272955214.db2.gz MSFSORIRYCFRSM-CQSZACIVSA-N 0 0 333.356 1.822 10 0 EDAERN C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000152343002 223947442 /nfs/dbraw/zinc/94/74/42/223947442.db2.gz IJVWEOUZDFZVDD-UONOGXRCSA-N 0 0 332.429 1.686 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)ccc1Br ZINC000168931313 533040107 /nfs/dbraw/zinc/04/01/07/533040107.db2.gz UUVBTAUMHUJTME-SKDRFNHKSA-N 0 0 342.189 1.506 10 0 EDAERN COc1cc(OC)cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173872134 533065188 /nfs/dbraw/zinc/06/51/88/533065188.db2.gz XUBZQCUMQYWWSX-SUMWQHHRSA-N 0 0 334.416 1.497 10 0 EDAERN CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2ncnn2C1)c1ccc(C)cc1 ZINC000112651749 220364051 /nfs/dbraw/zinc/36/40/51/220364051.db2.gz YWDGTSCONBQUIU-HOTGVXAUSA-N 0 0 341.415 1.285 10 0 EDAERN CCc1[nH]c(C(=O)N[C@H]2CCc3ncnn3C2)c(C)c1C(=O)OC ZINC000112655665 220365981 /nfs/dbraw/zinc/36/59/81/220365981.db2.gz VPDSVHIBDBCJEH-JTQLQIEISA-N 0 0 331.376 1.008 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c(C)n1-c1nccs1 ZINC000112657818 220366900 /nfs/dbraw/zinc/36/69/00/220366900.db2.gz SRKLCHXSMCLJIK-GFCCVEGCSA-N 0 0 342.428 1.887 10 0 EDAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112659372 220367231 /nfs/dbraw/zinc/36/72/31/220367231.db2.gz WIRAPFKNWAWIHO-GWCFXTLKSA-N 0 0 347.806 1.181 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1OC(F)F ZINC000112662354 220367910 /nfs/dbraw/zinc/36/79/10/220367910.db2.gz DXXUIMPXIXYSES-SNVBAGLBSA-N 0 0 338.314 1.633 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112741841 220392831 /nfs/dbraw/zinc/39/28/31/220392831.db2.gz FNZAHSGZLMOWJX-CQSZACIVSA-N 0 0 328.376 1.051 10 0 EDAERN Cc1cccc(OC[C@H](C)NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112745531 220395771 /nfs/dbraw/zinc/39/57/71/220395771.db2.gz HLFDMUNGMZGECV-UONOGXRCSA-N 0 0 329.404 1.668 10 0 EDAERN COc1ccc(OCCCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112745984 220395951 /nfs/dbraw/zinc/39/59/51/220395951.db2.gz MPTQPLFAGLUIJQ-CYBMUJFWSA-N 0 0 345.403 1.370 10 0 EDAERN C[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)[C@H](C)N1CCOCC1 ZINC000159211925 533117288 /nfs/dbraw/zinc/11/72/88/533117288.db2.gz LSENYQIPXLFSEK-CABCVRRESA-N 0 0 349.479 1.418 10 0 EDAERN C[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1cccs1 ZINC000171735048 533167523 /nfs/dbraw/zinc/16/75/23/533167523.db2.gz VJWKNFHJEHNUCY-LLVKDONJSA-N 0 0 345.490 1.828 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(NC(=O)OC)c1)CC2 ZINC000114870786 220771534 /nfs/dbraw/zinc/77/15/34/220771534.db2.gz KBBJKKYFSPSLDF-ZDUSSCGKSA-N 0 0 343.387 1.764 10 0 EDAERN COC(=O)C1(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000187938864 533208531 /nfs/dbraw/zinc/20/85/31/533208531.db2.gz FOMLHZSKVJXRSF-UKRRQHHQSA-N 0 0 348.374 1.415 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C2)cn1 ZINC000116466342 220965553 /nfs/dbraw/zinc/96/55/53/220965553.db2.gz REOQFJUXIBZAML-NSHDSACASA-N 0 0 348.353 1.444 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2)C[C@H]1CC ZINC000116899332 221007839 /nfs/dbraw/zinc/00/78/39/221007839.db2.gz JXYHWRYUZZBQRQ-OAHLLOKOSA-N 0 0 344.452 1.947 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCCn3cccn3)C2)n1 ZINC000117029962 221024474 /nfs/dbraw/zinc/02/44/74/221024474.db2.gz QONYEWCENDDSPW-MRXNPFEDSA-N 0 0 345.451 1.603 10 0 EDAERN CCOCCN1CCN(C(=O)Cn2c(C)c(C)sc2=O)C[C@H]1C ZINC000117278463 221042315 /nfs/dbraw/zinc/04/23/15/221042315.db2.gz CZSDCDLHQMDVOJ-GFCCVEGCSA-N 0 0 341.477 1.096 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000117288518 221046191 /nfs/dbraw/zinc/04/61/91/221046191.db2.gz RMYPCWVZBNGJJE-LLVKDONJSA-N 0 0 342.237 1.637 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)C[C@@H]1C ZINC000117296236 221048237 /nfs/dbraw/zinc/04/82/37/221048237.db2.gz SYVCEBDKFUTKNY-AWEZNQCLSA-N 0 0 333.432 1.746 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CCN1CCOC ZINC000117301557 221049566 /nfs/dbraw/zinc/04/95/66/221049566.db2.gz SUQJJKRIQMYJIF-KRWDZBQOSA-N 0 0 347.459 1.571 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(CCOC)[C@H](C)C2)cc1 ZINC000117522703 221074627 /nfs/dbraw/zinc/07/46/27/221074627.db2.gz FYINFPIAIQUFGY-CQSZACIVSA-N 0 0 333.432 1.367 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC000117522122 221074759 /nfs/dbraw/zinc/07/47/59/221074759.db2.gz OIQNMNQJSHMRES-CQSZACIVSA-N 0 0 345.443 1.293 10 0 EDAERN NC(=O)CCn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000117701165 221082742 /nfs/dbraw/zinc/08/27/42/221082742.db2.gz UMNKBEQIXDRIQU-MNOVXSKESA-N 0 0 334.326 1.779 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccnc(N3CCCC3)c2)c1 ZINC000118057292 221110018 /nfs/dbraw/zinc/11/00/18/221110018.db2.gz NWOZUGZIFUZPLG-UHFFFAOYSA-N 0 0 328.420 1.686 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000117810958 221091771 /nfs/dbraw/zinc/09/17/71/221091771.db2.gz OLRWYNFAVMRAMJ-AWEZNQCLSA-N 0 0 336.436 1.955 10 0 EDAERN Cc1cnn(CCNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 ZINC000117811170 221091954 /nfs/dbraw/zinc/09/19/54/221091954.db2.gz TUTXJRGUGKDIEX-UHFFFAOYSA-N 0 0 325.372 1.491 10 0 EDAERN COc1ccc([C@H](CC(=O)NCCn2cc(C)cn2)NC(C)=O)cc1 ZINC000117817985 221092896 /nfs/dbraw/zinc/09/28/96/221092896.db2.gz PYXZAIOUTXCQDO-KRWDZBQOSA-N 0 0 344.415 1.584 10 0 EDAERN Cc1cnn(CCNC(=O)NCCCc2nnc3n2CCCCC3)c1 ZINC000118070561 221112155 /nfs/dbraw/zinc/11/21/55/221112155.db2.gz ONHYEAACPICVRN-UHFFFAOYSA-N 0 0 345.451 1.441 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@@H](O)COc2ccc(F)cc2)c1 ZINC000118079331 221112655 /nfs/dbraw/zinc/11/26/55/221112655.db2.gz RVUCPCJXYMWDQK-CQSZACIVSA-N 0 0 336.367 1.070 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](Cc2ccccc2)n2nnnc2C)c1 ZINC000118346051 221142287 /nfs/dbraw/zinc/14/22/87/221142287.db2.gz FCFZTVHKJHKLIF-INIZCTEOSA-N 0 0 339.403 1.087 10 0 EDAERN CCS(=O)(=O)CCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000118396081 221146019 /nfs/dbraw/zinc/14/60/19/221146019.db2.gz CWZZWVQBANIUFW-ZDUSSCGKSA-N 0 0 326.466 1.576 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000118672377 221167811 /nfs/dbraw/zinc/16/78/11/221167811.db2.gz TZFOSNRYNUCPOI-OAHLLOKOSA-N 0 0 340.383 1.662 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000118674480 221167868 /nfs/dbraw/zinc/16/78/68/221167868.db2.gz FAOYDNQGMQYKFX-CQSZACIVSA-N 0 0 342.399 1.893 10 0 EDAERN CC(C)(C)C(=O)NCCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118672774 221168237 /nfs/dbraw/zinc/16/82/37/221168237.db2.gz VNRWWOCOKQAWHM-AWEZNQCLSA-N 0 0 347.463 1.504 10 0 EDAERN C[C@H](O)CCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000118721145 221173367 /nfs/dbraw/zinc/17/33/67/221173367.db2.gz QGVTXKMVKIHKMW-NHYWBVRUSA-N 0 0 347.440 1.570 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000119252769 221278171 /nfs/dbraw/zinc/27/81/71/221278171.db2.gz LWJGWUFLLKDTJY-GFCCVEGCSA-N 0 0 331.351 1.049 10 0 EDAERN Cc1cc(NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccn1 ZINC000119439260 221320367 /nfs/dbraw/zinc/32/03/67/221320367.db2.gz BQUKEAULPHYZCN-LLVKDONJSA-N 0 0 334.401 1.920 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000119481044 221329537 /nfs/dbraw/zinc/32/95/37/221329537.db2.gz PQTORTKXQSTDKS-CYBMUJFWSA-N 0 0 342.403 1.175 10 0 EDAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000119574087 221351866 /nfs/dbraw/zinc/35/18/66/221351866.db2.gz QRKCUEWVLFGPSO-HOTGVXAUSA-N 0 0 348.447 1.939 10 0 EDAERN CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000120227206 221518544 /nfs/dbraw/zinc/51/85/44/221518544.db2.gz BCJYJAJSRVGQDD-ZDUSSCGKSA-N 0 0 328.376 1.397 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](OC)c1ccccc1 ZINC000155190212 224373404 /nfs/dbraw/zinc/37/34/04/224373404.db2.gz ILHYYUPWFIIHMD-HIFRSBDPSA-N 0 0 330.388 1.763 10 0 EDAERN Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)CC1=O ZINC000252008314 257660284 /nfs/dbraw/zinc/66/02/84/257660284.db2.gz QEVBELNPPOUIDF-YJBOKZPZSA-N 0 0 347.415 1.421 10 0 EDAERN O=CNc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000174530146 296442683 /nfs/dbraw/zinc/44/26/83/296442683.db2.gz AZQNUNNEAGGZTE-HNNXBMFYSA-N 0 0 344.392 1.903 10 0 EDAERN Cc1nnc(N2CC[C@@H]3C[C@H](C(=O)NC4CCCC4)O[C@@H]3C2)s1 ZINC000248044403 257667426 /nfs/dbraw/zinc/66/74/26/257667426.db2.gz UVFKCUDHUYNSLX-MRVWCRGKSA-N 0 0 336.461 1.889 10 0 EDAERN O=C(C[C@@H]1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2O1)NCc1ccco1 ZINC000247794487 257680265 /nfs/dbraw/zinc/68/02/65/257680265.db2.gz QFNDNGMQQODION-UGFHNGPFSA-N 0 0 346.362 1.509 10 0 EDAERN C[C@H](CNS(=O)(=O)c1c(Cl)nc2ccccn21)[S@@](C)=O ZINC000156036202 224525459 /nfs/dbraw/zinc/52/54/59/224525459.db2.gz XZYQFNWVQUZUIF-YLVJLNSGSA-N 0 0 335.838 1.033 10 0 EDAERN CCOc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)ncn1 ZINC000328612538 258038425 /nfs/dbraw/zinc/03/84/25/258038425.db2.gz OZHGEUBDWDCLMN-MEDUHNTESA-N 0 0 330.392 1.240 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1)C2 ZINC000174296307 533284292 /nfs/dbraw/zinc/28/42/92/533284292.db2.gz ORHZMQCJJQDCIK-IIAWOOMASA-N 0 0 348.443 1.160 10 0 EDAERN COc1ncncc1NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181627037 533296850 /nfs/dbraw/zinc/29/68/50/533296850.db2.gz SMPMWLVIGMZCGD-SNVBAGLBSA-N 0 0 331.380 1.337 10 0 EDAERN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173943292 533313465 /nfs/dbraw/zinc/31/34/65/533313465.db2.gz SSUAXCCUZSKUCZ-STQMWFEESA-N 0 0 339.386 1.698 10 0 EDAERN COC[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000139341561 533342562 /nfs/dbraw/zinc/34/25/62/533342562.db2.gz PKZDESMCUBOCAI-RYUDHWBXSA-N 0 0 328.434 1.733 10 0 EDAERN CS(=O)(=O)[C@H]1CCC[C@H](S(=O)(=O)c2ccc(N)c(F)c2)C1 ZINC000166092826 533434730 /nfs/dbraw/zinc/43/47/30/533434730.db2.gz ZGFPBAZQGXKYJC-UWVGGRQHSA-N 0 0 335.422 1.537 10 0 EDAERN CSC(C)(C)CNc1cnn(CCO)c(=O)c1Br ZINC000158647924 533471044 /nfs/dbraw/zinc/47/10/44/533471044.db2.gz OVFCWJIMJZKDPT-UHFFFAOYSA-N 0 0 336.255 1.552 10 0 EDAERN CN(C)c1ncncc1N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000065226166 132807884 /nfs/dbraw/zinc/80/78/84/132807884.db2.gz DKVKCTYMPRYHTQ-AWEZNQCLSA-N 0 0 333.436 1.054 10 0 EDAERN CC(=O)Nc1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)[C@H](C)O2 ZINC000012295721 135693840 /nfs/dbraw/zinc/69/38/40/135693840.db2.gz ZUTKEFDEJHBBFD-LBPRGKRZSA-N 0 0 345.399 1.771 10 0 EDAERN O=C(c1ncncc1Cl)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000329026843 140691347 /nfs/dbraw/zinc/69/13/47/140691347.db2.gz OHJHCIRYOSRLRM-MFKMUULPSA-N 0 0 334.807 1.746 10 0 EDAERN CCc1cc2nncn2c(SCC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000330039828 140796875 /nfs/dbraw/zinc/79/68/75/140796875.db2.gz CEHIQWPUDYOYIG-JTQLQIEISA-N 0 0 348.432 1.553 10 0 EDAERN Cc1nccn1-c1cncc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1 ZINC000330133605 140804860 /nfs/dbraw/zinc/80/48/60/140804860.db2.gz GNSZOKWPDSIJIV-QGZVFWFLSA-N 0 0 329.404 1.745 10 0 EDAERN NC(=O)[C@@H]1CCCN(C(=O)CSc2nc(C3CC3)cc(=O)[nH]2)C1 ZINC000333088171 141261712 /nfs/dbraw/zinc/26/17/12/141261712.db2.gz RZYCRSWAFIFBHC-SNVBAGLBSA-N 0 0 336.417 1.926 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)Nc1ccc2c(c1)CCN2 ZINC000333387906 141310129 /nfs/dbraw/zinc/31/01/29/141310129.db2.gz XAGIUTGGSHOAPC-CXAGYDPISA-N 0 0 330.432 1.982 10 0 EDAERN CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000333402375 141312304 /nfs/dbraw/zinc/31/23/04/141312304.db2.gz FOYQMNBAMBQESN-ZVZYQTTQSA-N 0 0 344.459 1.401 10 0 EDAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc2nccnc2n1 ZINC000333417369 141314636 /nfs/dbraw/zinc/31/46/36/141314636.db2.gz LFIVDNJKGUKUKT-OLZOCXBDSA-N 0 0 339.399 1.546 10 0 EDAERN CC(C)(C)c1nnc(CN2CCC(c3ccnn3CCO)CC2)[nH]1 ZINC000333445294 141318053 /nfs/dbraw/zinc/31/80/53/141318053.db2.gz MPPOHEWDKRJCIY-UHFFFAOYSA-N 0 0 332.452 1.671 10 0 EDAERN CCOC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000119187873 285736015 /nfs/dbraw/zinc/73/60/15/285736015.db2.gz MLMWVNGIFBDUMK-CZUORRHYSA-N 0 0 336.363 1.367 10 0 EDAERN COC1(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CCCCC1 ZINC000185925275 292117119 /nfs/dbraw/zinc/11/71/19/292117119.db2.gz MLZAQCKFDUOWID-HZPDHXFCSA-N 0 0 339.480 1.698 10 0 EDAERN COc1cccc(O[C@H](C)CNC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177358898 533674936 /nfs/dbraw/zinc/67/49/36/533674936.db2.gz CPAZXDNIGLZYRP-IUODEOHRSA-N 0 0 345.403 1.888 10 0 EDAERN CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000333803865 286203220 /nfs/dbraw/zinc/20/32/20/286203220.db2.gz DWQAWQAJJPTQGC-QBPKDAKJSA-N 0 0 339.480 1.839 10 0 EDAERN Cc1cc(CNC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)on1 ZINC000187493098 533678608 /nfs/dbraw/zinc/67/86/08/533678608.db2.gz NISSLFQUCRRRKF-CMPLNLGQSA-N 0 0 327.356 1.947 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000076253956 287281202 /nfs/dbraw/zinc/28/12/02/287281202.db2.gz WDLIJMDXHVXJFX-HNNXBMFYSA-N 0 0 342.399 1.244 10 0 EDAERN O=C(NCC1CC(O)C1)c1ccc(I)cc1 ZINC000084446711 287317528 /nfs/dbraw/zinc/31/75/28/287317528.db2.gz FLKVGPTWSCBQAP-UHFFFAOYSA-N 0 0 331.153 1.792 10 0 EDAERN O=c1cc(CSC[C@H](O)CO)nc2ccc(Br)cn12 ZINC000093958685 287336016 /nfs/dbraw/zinc/33/60/16/287336016.db2.gz UAZMCSYBCVZNJM-SNVBAGLBSA-N 0 0 345.218 1.043 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCCC(=O)N(C)C)CC2)cn1 ZINC000157667628 224864927 /nfs/dbraw/zinc/86/49/27/224864927.db2.gz DKXBUTOCFPBGLI-UHFFFAOYSA-N 0 0 335.452 1.660 10 0 EDAERN CCn1c(-c2cc3c(s2)CCCCC3)nnc1S(N)(=O)=O ZINC000158386258 225003733 /nfs/dbraw/zinc/00/37/33/225003733.db2.gz PBBLMWPUKNWQLJ-UHFFFAOYSA-N 0 0 326.447 1.943 10 0 EDAERN Cc1cc(Br)cnc1N1CCOC[C@H]1C(=O)NC(C)C ZINC000159235860 225177378 /nfs/dbraw/zinc/17/73/78/225177378.db2.gz QZTBWUQKBGMPNT-LBPRGKRZSA-N 0 0 342.237 1.882 10 0 EDAERN NC1=NC(=O)[C@@H](c2ncc(Br)cc2Br)O1 ZINC000160774730 225473574 /nfs/dbraw/zinc/47/35/74/225473574.db2.gz DPLCGFWVZJYUCF-ZCFIWIBFSA-N 0 0 334.955 1.519 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCSc4ncccc43)cc2[nH]1 ZINC000122185344 287378217 /nfs/dbraw/zinc/37/82/17/287378217.db2.gz KQSWVJHXGDUQBO-UHFFFAOYSA-N 0 0 348.409 1.552 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc(N)c1Cl ZINC000164735438 226095143 /nfs/dbraw/zinc/09/51/43/226095143.db2.gz FAUOHJALAVPTOS-SNVBAGLBSA-N 0 0 328.825 1.794 10 0 EDAERN Cn1c(-c2c(F)cccc2Br)nnc1S(N)(=O)=O ZINC000165075481 226108144 /nfs/dbraw/zinc/10/81/44/226108144.db2.gz LLVAWRBXVSGHSA-UHFFFAOYSA-N 0 0 335.158 1.031 10 0 EDAERN Cc1c(N)cnc(N[C@@H](C)CN2CCOCC2)c1Br ZINC000165497648 226126921 /nfs/dbraw/zinc/12/69/21/226126921.db2.gz ORNSGROZSRUPNR-VIFPVBQESA-N 0 0 329.242 1.867 10 0 EDAERN Cc1c(N)cnc(NCCC(=O)N2CCOCC2)c1Br ZINC000165618607 226129483 /nfs/dbraw/zinc/12/94/83/226129483.db2.gz LZAYWKZKQRTHNW-UHFFFAOYSA-N 0 0 343.225 1.396 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)NCCc2c[nH]cn2)c1Cl ZINC000165971599 226141979 /nfs/dbraw/zinc/14/19/79/226141979.db2.gz MFLOBFALOFXBIM-UHFFFAOYSA-N 0 0 335.216 1.820 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N2CCCOCC2)c1Cl ZINC000165945997 226142414 /nfs/dbraw/zinc/14/24/14/226142414.db2.gz IMZFYGJCFKOJMY-UHFFFAOYSA-N 0 0 325.217 1.987 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1c1ccc(I)cc1N ZINC000167768238 226198916 /nfs/dbraw/zinc/19/89/16/226198916.db2.gz CHJKBQIXIYNUNQ-PSASIEDQSA-N 0 0 348.184 1.459 10 0 EDAERN C[C@H]([C@@H](O)Cc1cc(Br)ccc1F)S(C)(=O)=O ZINC000168528726 226216862 /nfs/dbraw/zinc/21/68/62/226216862.db2.gz XKBANXANSFQODH-HQJQHLMTSA-N 0 0 325.199 1.925 10 0 EDAERN O=C(CN1CCN2C(=O)CC[C@@H]2C1)c1ccc(Br)cc1 ZINC000168643091 226219609 /nfs/dbraw/zinc/21/96/09/226219609.db2.gz YTCZEBGUWWCUGC-CYBMUJFWSA-N 0 0 337.217 1.938 10 0 EDAERN O=S(=O)(c1cc(Cl)sc1Cl)N1CCOC[C@@H]1CO ZINC000168663437 226220740 /nfs/dbraw/zinc/22/07/40/226220740.db2.gz AQHIHNIQTBMJRT-LURJTMIESA-N 0 0 332.230 1.437 10 0 EDAERN O=S(=O)(c1c(Cl)cccc1Cl)N1CCOC[C@H]1CO ZINC000168667190 226221224 /nfs/dbraw/zinc/22/12/24/226221224.db2.gz QSUHFXKBZAHOHZ-MRVPVSSYSA-N 0 0 326.201 1.375 10 0 EDAERN C[C@@H]1NC(=O)[C@H](C2CC2)N(Cc2ccc(Br)cn2)C1=O ZINC000168878312 226224923 /nfs/dbraw/zinc/22/49/23/226224923.db2.gz PJZPKUYNZSTIOW-UFBFGSQYSA-N 0 0 338.205 1.470 10 0 EDAERN NC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000169094425 226231239 /nfs/dbraw/zinc/23/12/39/226231239.db2.gz NASBCSGDCIWRKT-NWDGAFQWSA-N 0 0 329.322 1.819 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1=O ZINC000120912917 221709626 /nfs/dbraw/zinc/70/96/26/221709626.db2.gz FJHGUJWCRIWPQX-QWHCGFSZSA-N 0 0 338.354 1.386 10 0 EDAERN O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N1CCC[C@H]1CO ZINC000120996799 221731169 /nfs/dbraw/zinc/73/11/69/221731169.db2.gz IYHWYOVXXJFILM-VIFPVBQESA-N 0 0 334.269 1.766 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000121644483 221896993 /nfs/dbraw/zinc/89/69/93/221896993.db2.gz OJQTUYJNAXRNCN-LBPRGKRZSA-N 0 0 345.403 1.913 10 0 EDAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122205706 222037889 /nfs/dbraw/zinc/03/78/89/222037889.db2.gz SRJGKJLXDAOBKV-XHSDSOJGSA-N 0 0 348.447 1.488 10 0 EDAERN COc1ccsc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000122392731 222077924 /nfs/dbraw/zinc/07/79/24/222077924.db2.gz UBHUGWVTPASURC-SNVBAGLBSA-N 0 0 328.419 1.374 10 0 EDAERN CCn1nccc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000122697141 222140384 /nfs/dbraw/zinc/14/03/84/222140384.db2.gz ONGCWDMYXOEDSI-SFHVURJKSA-N 0 0 344.459 1.461 10 0 EDAERN COc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000123241090 222241074 /nfs/dbraw/zinc/24/10/74/222241074.db2.gz RNJOPJLEDAXUMO-FZKQIMNGSA-N 0 0 332.400 1.787 10 0 EDAERN O=C(CSCc1cscn1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000123469043 222282019 /nfs/dbraw/zinc/28/20/19/222282019.db2.gz ORNQNAVBUWDHEJ-GFCCVEGCSA-N 0 0 337.474 1.907 10 0 EDAERN CN(C(=O)NCc1cccnc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000171551430 227137595 /nfs/dbraw/zinc/13/75/95/227137595.db2.gz FKWWGISJAXCGNW-OAHLLOKOSA-N 0 0 326.404 1.682 10 0 EDAERN COCCn1cc(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)cn1 ZINC000171817079 227297838 /nfs/dbraw/zinc/29/78/38/227297838.db2.gz SWGPIJAPJSWAMH-OAHLLOKOSA-N 0 0 332.408 1.903 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)C(=O)Nc3ccccc3)CC2)no1 ZINC000171863787 227323029 /nfs/dbraw/zinc/32/30/29/227323029.db2.gz IVAWIJXZDVTMLV-UHFFFAOYSA-N 0 0 343.387 1.051 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000172002961 227414924 /nfs/dbraw/zinc/41/49/24/227414924.db2.gz XDOCJJRWFUDFLE-GFCCVEGCSA-N 0 0 340.412 1.871 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCCC[S@](C)=O)[C@@H]1c1ccc(F)cc1 ZINC000133394178 287538885 /nfs/dbraw/zinc/53/88/85/287538885.db2.gz AGXSEVLNERFGIR-VXOUBLIBSA-N 0 0 340.420 1.230 10 0 EDAERN COCCC1(CNC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CC1 ZINC000151611280 287598506 /nfs/dbraw/zinc/59/85/06/287598506.db2.gz HIHHGMFMAOOUEJ-HNNXBMFYSA-N 0 0 336.436 1.419 10 0 EDAERN CCc1noc(CC)c1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000154088004 287637878 /nfs/dbraw/zinc/63/78/78/287637878.db2.gz GMHHUJFCEFDPFY-ZDUSSCGKSA-N 0 0 332.404 1.466 10 0 EDAERN Cc1nc(C[C@@H]2CCCN([C@H]3CCN(CC(F)(F)F)C3=O)C2)no1 ZINC000247726400 273016215 /nfs/dbraw/zinc/01/62/15/273016215.db2.gz SRDOTSSUHQKNJD-RYUDHWBXSA-N 0 0 346.353 1.796 10 0 EDAERN CNC(=O)[C@H](NC(=O)N(C)CCOc1ccccc1F)C(C)C ZINC000178395402 267560390 /nfs/dbraw/zinc/56/03/90/267560390.db2.gz LLEBRGYNXHFILV-CQSZACIVSA-N 0 0 325.384 1.617 10 0 EDAERN CC(C)[C@H](C)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000043066882 272910369 /nfs/dbraw/zinc/91/03/69/272910369.db2.gz LDQVKYITVVUUGC-ZDUSSCGKSA-N 0 0 346.431 1.102 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1C ZINC000111086954 272924505 /nfs/dbraw/zinc/92/45/05/272924505.db2.gz CZZMUPONQMHBFE-INIZCTEOSA-N 0 0 342.399 1.691 10 0 EDAERN CCCc1cc(=O)n2nc(N3CC[C@@H](N4CCOCC4)C3)sc2n1 ZINC000173976404 276295196 /nfs/dbraw/zinc/29/51/96/276295196.db2.gz OPOZAADCYDEXOQ-CYBMUJFWSA-N 0 0 349.460 1.014 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)Nc3ccon3)CC2)n1 ZINC000183537101 276369206 /nfs/dbraw/zinc/36/92/06/276369206.db2.gz PTFILXOHQITYRO-UHFFFAOYSA-N 0 0 332.364 1.526 10 0 EDAERN COCc1n[nH]c([C@@H]2CCCCN2C(=O)c2ncncc2Cl)n1 ZINC000329637618 277272166 /nfs/dbraw/zinc/27/21/66/277272166.db2.gz YROVCBIBXPZCNM-JTQLQIEISA-N 0 0 336.783 1.762 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCCN1CCOCC1 ZINC000175501692 279172339 /nfs/dbraw/zinc/17/23/39/279172339.db2.gz SFHFLAFDRJRKSS-INIZCTEOSA-N 0 0 335.452 1.088 10 0 EDAERN C[C@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@@H]1N1CCOCC1 ZINC000173869804 279815567 /nfs/dbraw/zinc/81/55/67/279815567.db2.gz WVNUHTQBIVJULJ-BBRMVZONSA-N 0 0 342.395 1.586 10 0 EDAERN CC(C)[C@@H]1N(C(=O)CS(=O)(=O)C2CCCC2)C[C@]12CCCO2 ZINC000329456731 280042459 /nfs/dbraw/zinc/04/24/59/280042459.db2.gz NMNXQIVUHVZMKN-JKSUJKDBSA-N 0 0 329.462 1.760 10 0 EDAERN CC(C)[C@@H]1N(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C[C@@]12CCCO2 ZINC000329356033 280054085 /nfs/dbraw/zinc/05/40/85/280054085.db2.gz ZDQLCSHQDDAHJS-ZQIUZPCESA-N 0 0 341.473 1.617 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000118810380 289017676 /nfs/dbraw/zinc/01/76/76/289017676.db2.gz ZSFCTYVERNSTRE-SNVBAGLBSA-N 0 0 346.309 1.478 10 0 EDAERN Cn1ncnc1[C@@H]1COCCN1CCN1CCCc2ccccc21 ZINC000375296689 303101824 /nfs/dbraw/zinc/10/18/24/303101824.db2.gz RVQSLXSNOWKLAE-KRWDZBQOSA-N 0 0 327.432 1.641 10 0 EDAERN COc1ccc(/C=C\C(=O)N2CC(NC(=O)C3CC3)C2)cc1OC ZINC000492719137 305598144 /nfs/dbraw/zinc/59/81/44/305598144.db2.gz MPABUFACMBHVGY-YWEYNIOJSA-N 0 0 330.384 1.454 10 0 EDAERN CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 ZINC000000413178 440819160 /nfs/dbraw/zinc/81/91/60/440819160.db2.gz AYJNPHVRCZHQCS-UHFFFAOYSA-N 0 0 334.401 1.663 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000044248402 440828198 /nfs/dbraw/zinc/82/81/98/440828198.db2.gz MSRAIFZDUFZRBK-LLVKDONJSA-N 0 0 325.328 1.617 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000046826085 441127780 /nfs/dbraw/zinc/12/77/80/441127780.db2.gz BYMVEBQOLYSTOL-YDHLFZDLSA-N 0 0 333.432 1.424 10 0 EDAERN COc1c(F)cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1F ZINC000071065456 441137572 /nfs/dbraw/zinc/13/75/72/441137572.db2.gz SQSIPNURZNUHKH-PRHODGIISA-N 0 0 328.315 1.596 10 0 EDAERN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000105282678 441247352 /nfs/dbraw/zinc/24/73/52/441247352.db2.gz RQMSJDNJPAZTJA-HNNXBMFYSA-N 0 0 346.431 1.796 10 0 EDAERN COc1cc(-c2cnn(CC(=O)Nc3cc(C)nn3C)c2)ccc1O ZINC000048345556 441296472 /nfs/dbraw/zinc/29/64/72/441296472.db2.gz ZOISUNXFIFLDEZ-UHFFFAOYSA-N 0 0 341.371 1.945 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1sccc1-n1cnnn1 ZINC000081450637 441271256 /nfs/dbraw/zinc/27/12/56/441271256.db2.gz IKOPFOJUMRMMNU-VIFPVBQESA-N 0 0 337.405 1.526 10 0 EDAERN C[C@H]1CCCN(C(=O)CN2CCC(N(C)c3cccnn3)CC2)C1 ZINC000105806562 441275095 /nfs/dbraw/zinc/27/50/95/441275095.db2.gz XFXVUUQXVQOQNO-HNNXBMFYSA-N 0 0 331.464 1.636 10 0 EDAERN CCCS(=O)(=O)CCN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105804112 441275249 /nfs/dbraw/zinc/27/52/49/441275249.db2.gz AMWUJRHYZZBNAT-AWEZNQCLSA-N 0 0 326.466 1.202 10 0 EDAERN Cc1ncc(CN2CCN(Cc3cccc(C(N)=O)c3)CC2)s1 ZINC000105814347 441276599 /nfs/dbraw/zinc/27/65/99/441276599.db2.gz GPKHKVZVOMENQY-UHFFFAOYSA-N 0 0 330.457 1.868 10 0 EDAERN CCOCCN1CCN([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000105834390 441287892 /nfs/dbraw/zinc/28/78/92/441287892.db2.gz NCCKRAUYPIUNBN-IRXDYDNUSA-N 0 0 325.497 1.676 10 0 EDAERN CN(C)C(=O)c1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000105855933 441293316 /nfs/dbraw/zinc/29/33/16/441293316.db2.gz LLJKAEGYVNSPMK-HNNXBMFYSA-N 0 0 327.388 1.457 10 0 EDAERN CCOC(=O)[C@H](C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106140931 441327039 /nfs/dbraw/zinc/32/70/39/441327039.db2.gz RUEYFXIWZVOCJO-INIZCTEOSA-N 0 0 342.443 1.942 10 0 EDAERN CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2cccs2)c1 ZINC000048882021 441335378 /nfs/dbraw/zinc/33/53/78/441335378.db2.gz AFPXYBDTYVUANO-JTQLQIEISA-N 0 0 331.397 1.924 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1 ZINC000106397441 441338699 /nfs/dbraw/zinc/33/86/99/441338699.db2.gz RQPBGQOJWOZWRQ-RDJZCZTQSA-N 0 0 349.406 1.234 10 0 EDAERN CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H](n2ccnc2CC)C1 ZINC000105896964 441311574 /nfs/dbraw/zinc/31/15/74/441311574.db2.gz IIXRMGYDWVBWFT-OAHLLOKOSA-N 0 0 349.479 1.067 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000081812549 441317244 /nfs/dbraw/zinc/31/72/44/441317244.db2.gz GCZGVAXATWZQSU-ZDUSSCGKSA-N 0 0 347.806 1.621 10 0 EDAERN COc1ccc(CC(=O)Nc2cnc(N3CCOCC3)nc2)cc1 ZINC000065224987 441408133 /nfs/dbraw/zinc/40/81/33/441408133.db2.gz KNSYGFFXZHZYPK-UHFFFAOYSA-N 0 0 328.372 1.503 10 0 EDAERN CCn1cnnc1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000107305565 441408089 /nfs/dbraw/zinc/40/80/89/441408089.db2.gz IQKPXGCULKTVBP-UHFFFAOYSA-N 0 0 344.444 1.747 10 0 EDAERN Cc1nc(-c2cccnc2)nc(N2CCN([C@H](C)C(N)=O)CC2)c1C ZINC000085704738 441447672 /nfs/dbraw/zinc/44/76/72/441447672.db2.gz NNYZAXGMWOHTJC-CQSZACIVSA-N 0 0 340.431 1.151 10 0 EDAERN CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081799 441487700 /nfs/dbraw/zinc/48/77/00/441487700.db2.gz AKGLNNUPWJXQPF-QWHCGFSZSA-N 0 0 338.354 1.386 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([S@@](C)=O)cc1 ZINC000088199858 441495350 /nfs/dbraw/zinc/49/53/50/441495350.db2.gz CDUHGDSBGRPXLT-ZLOXQWCVSA-N 0 0 332.429 1.843 10 0 EDAERN CN1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000074773598 441465555 /nfs/dbraw/zinc/46/55/55/441465555.db2.gz HXBAPMBIDPICJC-SECBINFHSA-N 0 0 339.244 1.602 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000075518687 441529539 /nfs/dbraw/zinc/52/95/39/441529539.db2.gz KAWLWWYTTKCVKF-DTWKUNHWSA-N 0 0 325.328 1.226 10 0 EDAERN CCn1c(C)nnc1CN(C)[C@H]1CCN(Cc2cnc(C)cn2)C1 ZINC000089300535 441536481 /nfs/dbraw/zinc/53/64/81/441536481.db2.gz PZASQDDWGRSNJE-INIZCTEOSA-N 0 0 329.452 1.411 10 0 EDAERN COc1ccccc1CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111802020 441541325 /nfs/dbraw/zinc/54/13/25/441541325.db2.gz BPXQZZWRBFXNLY-INIZCTEOSA-N 0 0 344.415 1.545 10 0 EDAERN C[C@H]1COC[C@H](C)N1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000076364674 441635783 /nfs/dbraw/zinc/63/57/83/441635783.db2.gz GLPAIKWKSRZTST-KBPBESRZSA-N 0 0 329.400 1.801 10 0 EDAERN Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CCc3ncnn3C2)s1 ZINC000114357051 441647954 /nfs/dbraw/zinc/64/79/54/441647954.db2.gz SKVBPSZSCVXUKD-MRVPVSSYSA-N 0 0 328.344 1.994 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)CC2 ZINC000114863118 441693352 /nfs/dbraw/zinc/69/33/52/441693352.db2.gz URXNYTHWNOIBFX-GHMZBOCLSA-N 0 0 347.444 1.152 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1[S@](=O)CC)CC2 ZINC000114863199 441693367 /nfs/dbraw/zinc/69/33/67/441693367.db2.gz OHYGATLFERTUNB-MCFWBGNESA-N 0 0 346.456 1.713 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(NC(=O)OC)c1)CC2 ZINC000114870784 441693762 /nfs/dbraw/zinc/69/37/62/441693762.db2.gz KBBJKKYFSPSLDF-CYBMUJFWSA-N 0 0 343.387 1.764 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C(=O)OC)cc1)CC2 ZINC000114871865 441694612 /nfs/dbraw/zinc/69/46/12/441694612.db2.gz IZVTZCCAXSKHLR-CYBMUJFWSA-N 0 0 328.372 1.372 10 0 EDAERN CCC[C@H](O)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000114917991 441697395 /nfs/dbraw/zinc/69/73/95/441697395.db2.gz CGMCGZAWGJKHIY-YPMHNXCESA-N 0 0 328.434 1.611 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000158230993 441710326 /nfs/dbraw/zinc/71/03/26/441710326.db2.gz JMHYWCPSRAQALY-CYBMUJFWSA-N 0 0 327.331 1.264 10 0 EDAERN COC(=O)C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c1ccccc1 ZINC000042659541 441766437 /nfs/dbraw/zinc/76/64/37/441766437.db2.gz NVQURKKEAIIGJC-CQSZACIVSA-N 0 0 334.416 1.959 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3cccc(F)c3)CCO2)[nH]1 ZINC000173353439 441722134 /nfs/dbraw/zinc/72/21/34/441722134.db2.gz WNVYMKDVKMZSGN-HZMBPMFUSA-N 0 0 333.367 1.653 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(N(C)C)n1 ZINC000121515640 441723340 /nfs/dbraw/zinc/72/33/40/441723340.db2.gz NNQWJDVKQFESPJ-ZDUSSCGKSA-N 0 0 343.435 1.636 10 0 EDAERN C[C@@H](NC(=O)c1cc(I)c[nH]1)[C@H]1CCCO1 ZINC000115332140 441726686 /nfs/dbraw/zinc/72/66/86/441726686.db2.gz RCBMKQGKXKEDPC-GMSGAONNSA-N 0 0 334.157 1.917 10 0 EDAERN CN(C)c1ncccc1CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116419103 441820379 /nfs/dbraw/zinc/82/03/79/441820379.db2.gz KFUNSEZXPIQRIK-CQSZACIVSA-N 0 0 328.420 1.580 10 0 EDAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccco2)C1=O ZINC000116049172 441792477 /nfs/dbraw/zinc/79/24/77/441792477.db2.gz NWAFSYRBWYNBFV-SJCJKPOMSA-N 0 0 331.372 1.664 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CCNC(=O)OCC(F)(F)F)C2)cn1 ZINC000116120448 441794945 /nfs/dbraw/zinc/79/49/45/441794945.db2.gz GEMAUNKLOOLGRP-SNVBAGLBSA-N 0 0 348.325 1.415 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3cnc(-c4ncccn4)s3)C2)cn1 ZINC000116122152 441795392 /nfs/dbraw/zinc/79/53/92/441795392.db2.gz JOYHXXYVALGRTB-NSHDSACASA-N 0 0 340.412 1.963 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cc(OC)ccn3)CC2)cn1 ZINC000116193677 441800367 /nfs/dbraw/zinc/80/03/67/441800367.db2.gz QVPHXBRMIKJFNU-UHFFFAOYSA-N 0 0 343.431 1.655 10 0 EDAERN C[C@@H](CNC(=O)CCc1nnc(C2CCCC2)o1)N1CCOCC1 ZINC000121906076 441808718 /nfs/dbraw/zinc/80/87/18/441808718.db2.gz SCYVYGVSGNQKMU-ZDUSSCGKSA-N 0 0 336.436 1.497 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)N3CC(=O)Nc4ccccc43)C2)cn1 ZINC000116316744 441811174 /nfs/dbraw/zinc/81/11/74/441811174.db2.gz IRQOSYZDTQNIOE-ZDUSSCGKSA-N 0 0 339.399 1.195 10 0 EDAERN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116322754 441812698 /nfs/dbraw/zinc/81/26/98/441812698.db2.gz LSIOZMKRTXENMX-SOLBZPMBSA-N 0 0 348.491 1.921 10 0 EDAERN Cc1ccc(NCCCNC(=O)N2CCC[C@@H](n3cncn3)C2)nc1 ZINC000173925178 441863132 /nfs/dbraw/zinc/86/31/32/441863132.db2.gz SUVRDOJOTNWQDQ-OAHLLOKOSA-N 0 0 343.435 1.830 10 0 EDAERN C[C@H](NC(=O)CCCCNC(N)=O)c1cccc(-n2ccnc2)c1 ZINC000173949550 441867149 /nfs/dbraw/zinc/86/71/49/441867149.db2.gz TZEUZKDKGMNUHX-ZDUSSCGKSA-N 0 0 329.404 1.888 10 0 EDAERN Cc1cc(-c2cccc(NS(C)(=O)=O)c2)cc2nnc(N)nc12 ZINC000143085584 441868368 /nfs/dbraw/zinc/86/83/68/441868368.db2.gz YRQWKYGZDMQIDC-UHFFFAOYSA-N 0 0 329.385 1.954 10 0 EDAERN C[C@@H]1CCCN(c2cc(N3CC[C@H](N4CCOCC4)C3)ncn2)C1 ZINC000173976826 441871700 /nfs/dbraw/zinc/87/17/00/441871700.db2.gz PEWDUDVUXDDJGL-CVEARBPZSA-N 0 0 331.464 1.624 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Nc3ccccc3S(C)(=O)=O)C2)cn1 ZINC000116480797 441826710 /nfs/dbraw/zinc/82/67/10/441826710.db2.gz UBQAXPGFYRDGEP-LBPRGKRZSA-N 0 0 348.428 1.845 10 0 EDAERN C[NH+](C)C[C@H]1CN(Cc2nc(CCc3ccccc3)no2)CCO1 ZINC000173701990 441826986 /nfs/dbraw/zinc/82/69/86/441826986.db2.gz HPAGTFRPZNPZOV-INIZCTEOSA-N 0 0 330.432 1.617 10 0 EDAERN CCOc1ncccc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173773641 441837276 /nfs/dbraw/zinc/83/72/76/441837276.db2.gz CJXUTWKJMPZFCW-OAHLLOKOSA-N 0 0 334.420 1.096 10 0 EDAERN COc1ccc(C(=O)[N-]C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000140383816 441837422 /nfs/dbraw/zinc/83/74/22/441837422.db2.gz UPFVNCZFLYYFRG-BEFAXECRSA-N 0 0 346.427 1.579 10 0 EDAERN Cc1nccn1-c1cncc(N2CCC(N3CCCNC3=O)CC2)n1 ZINC000092924030 441841652 /nfs/dbraw/zinc/84/16/52/441841652.db2.gz WVVXNHMAKPATSU-UHFFFAOYSA-N 0 0 341.419 1.355 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 ZINC000116774866 441842235 /nfs/dbraw/zinc/84/22/35/441842235.db2.gz FYSVVUSVWCMKAA-OAHLLOKOSA-N 0 0 331.420 1.981 10 0 EDAERN C[C@H]1CN(C(=O)CCC(=O)c2cccs2)C[C@H]1N1CCOCC1 ZINC000173812675 441844184 /nfs/dbraw/zinc/84/41/84/441844184.db2.gz UFBXNOQUZCBKJQ-UONOGXRCSA-N 0 0 336.457 1.890 10 0 EDAERN COc1ccccc1OCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173849075 441849685 /nfs/dbraw/zinc/84/96/85/441849685.db2.gz BLJDXAFBVGBQEW-HUUCEWRRSA-N 0 0 334.416 1.253 10 0 EDAERN O=C(NCc1ccc(Cn2cncn2)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000077757975 441849939 /nfs/dbraw/zinc/84/99/39/441849939.db2.gz IGEJTEUWUIEISU-IRXDYDNUSA-N 0 0 343.431 1.677 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H]1N1CCOCC1 ZINC000173850790 441850030 /nfs/dbraw/zinc/85/00/30/441850030.db2.gz MHBMVNBBJWZXAL-UKRRQHHQSA-N 0 0 332.400 1.137 10 0 EDAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C(=O)N1CCCCC1 ZINC000141320099 441850190 /nfs/dbraw/zinc/85/01/90/441850190.db2.gz MHWKDFOMBSZCTL-RLFYNMQTSA-N 0 0 337.464 1.724 10 0 EDAERN COCCOC1CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000116824815 441852369 /nfs/dbraw/zinc/85/23/69/441852369.db2.gz VNIXRQIRJZALAP-QGZVFWFLSA-N 0 0 342.480 1.827 10 0 EDAERN C[C@@H](CNC(=O)Nc1cnc(-c2ccccc2)nc1)N1CCOCC1 ZINC000149853523 441927672 /nfs/dbraw/zinc/92/76/72/441927672.db2.gz RKQMJUAGVVLTJF-AWEZNQCLSA-N 0 0 341.415 1.986 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1N1CCOCC1 ZINC000124668793 441943505 /nfs/dbraw/zinc/94/35/05/441943505.db2.gz DCWWVXOMVBPGJQ-CZUORRHYSA-N 0 0 328.416 1.285 10 0 EDAERN CC[C@@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCN1C[C@@H](C)O ZINC000174637984 441947711 /nfs/dbraw/zinc/94/77/11/441947711.db2.gz VIBLPWCWNNDKAX-OAGGEKHMSA-N 0 0 344.521 1.592 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000119865173 441966090 /nfs/dbraw/zinc/96/60/90/441966090.db2.gz GDXFBIHGZGGJJI-AWEZNQCLSA-N 0 0 337.420 1.317 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000119865313 441966560 /nfs/dbraw/zinc/96/65/60/441966560.db2.gz GDXFBIHGZGGJJI-CQSZACIVSA-N 0 0 337.420 1.317 10 0 EDAERN CCOc1ccnc(N2CCN(c3ncnc(Cl)c3NC)CC2)n1 ZINC000124928257 441966944 /nfs/dbraw/zinc/96/69/44/441966944.db2.gz ZRHAQMGPKKPGKH-UHFFFAOYSA-N 0 0 349.826 1.687 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NCCNC(=O)c1ccco1 ZINC000174924140 441984222 /nfs/dbraw/zinc/98/42/22/441984222.db2.gz FJCDTBHKRVJNCO-CQSZACIVSA-N 0 0 345.399 1.914 10 0 EDAERN O=C(Nc1cnn(CC(F)(F)F)c1)N[C@H]1CCc2ncnn2C1 ZINC000120148290 442016038 /nfs/dbraw/zinc/01/60/38/442016038.db2.gz RYXWZPUQKNFCCJ-QMMMGPOBSA-N 0 0 329.286 1.173 10 0 EDAERN CCc1nc(-c2ccc(C(=O)N[C@H]3CCc4ncnn4C3)cc2)n[nH]1 ZINC000125850308 442055290 /nfs/dbraw/zinc/05/52/90/442055290.db2.gz KCTLLUFFWRFDRW-ZDUSSCGKSA-N 0 0 337.387 1.370 10 0 EDAERN COc1ccc(C(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151449914 442064538 /nfs/dbraw/zinc/06/45/38/442064538.db2.gz CQZCBSKGGCJAMB-BEFAXECRSA-N 0 0 346.427 1.579 10 0 EDAERN O=C(NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)NCc1ccco1 ZINC000151565131 442086175 /nfs/dbraw/zinc/08/61/75/442086175.db2.gz CFIQVDREFSXKCY-GUYCJALGSA-N 0 0 335.404 1.232 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126205181 442088200 /nfs/dbraw/zinc/08/82/00/442088200.db2.gz YGPHKAIQGHSQLK-CYBMUJFWSA-N 0 0 330.388 1.533 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000162741045 442118596 /nfs/dbraw/zinc/11/85/96/442118596.db2.gz UXZPRSIXSYUIMX-SNVBAGLBSA-N 0 0 328.727 1.582 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)OC)cc1CC ZINC000162735618 442118602 /nfs/dbraw/zinc/11/86/02/442118602.db2.gz FOSIDVMFRXPFRT-HNNXBMFYSA-N 0 0 332.400 1.914 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2ccccc21 ZINC000162752291 442119844 /nfs/dbraw/zinc/11/98/44/442119844.db2.gz ZGTSHVXFKUISMY-HNNXBMFYSA-N 0 0 326.352 1.942 10 0 EDAERN C[C@H]1CN(C(=O)NCc2ccc(O)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000175804391 442125858 /nfs/dbraw/zinc/12/58/58/442125858.db2.gz QCVHAADEGRGXCE-WFASDCNBSA-N 0 0 337.395 1.393 10 0 EDAERN CCCCCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000151857847 442130313 /nfs/dbraw/zinc/13/03/13/442130313.db2.gz BQFPEFQPWVDILY-UHFFFAOYSA-N 0 0 331.424 1.536 10 0 EDAERN C[C@H](NC(=O)N(C)CCC1CCOCC1)C(=O)N1CCCCC1 ZINC000151655506 442101946 /nfs/dbraw/zinc/10/19/46/442101946.db2.gz LGMPOLKICHFSTF-AWEZNQCLSA-N 0 0 325.453 1.846 10 0 EDAERN C[C@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)CN1CCOCC1 ZINC000163479596 442168542 /nfs/dbraw/zinc/16/85/42/442168542.db2.gz PFNZYVZTZQILRD-CQSZACIVSA-N 0 0 335.452 1.267 10 0 EDAERN Cc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176103877 442177379 /nfs/dbraw/zinc/17/73/79/442177379.db2.gz PSSJYSCQDZOLOW-GFCCVEGCSA-N 0 0 333.779 1.830 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000176104060 442177418 /nfs/dbraw/zinc/17/74/18/442177418.db2.gz JALAPBCFIDZPRT-HOTGVXAUSA-N 0 0 332.400 1.724 10 0 EDAERN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121120806 442179481 /nfs/dbraw/zinc/17/94/81/442179481.db2.gz BTIFGXHUMAPVDC-LLVKDONJSA-N 0 0 330.306 1.936 10 0 EDAERN O=C(Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CCC[C@@H]1CO ZINC000121142237 442182483 /nfs/dbraw/zinc/18/24/83/442182483.db2.gz YSJVAZMLXACYBG-LLVKDONJSA-N 0 0 348.790 1.448 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000121286347 442199840 /nfs/dbraw/zinc/19/98/40/442199840.db2.gz BWDLNQGOTHBXEL-INIZCTEOSA-N 0 0 329.400 1.241 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000121291538 442199870 /nfs/dbraw/zinc/19/98/70/442199870.db2.gz BDXCMLMXSIFFQT-ZDUSSCGKSA-N 0 0 329.360 1.787 10 0 EDAERN COc1nc(N2CCC[C@H](n3cncn3)C2)ncc1Br ZINC000176252328 442200671 /nfs/dbraw/zinc/20/06/71/442200671.db2.gz NAXSAEMPOVHIPM-VIFPVBQESA-N 0 0 339.197 1.681 10 0 EDAERN C[C@@H]1[C@H](C)N(CCC(=O)NCC2CCCCC2)CCS1(=O)=O ZINC000126903048 442151873 /nfs/dbraw/zinc/15/18/73/442151873.db2.gz QQRARDPFXJREQQ-UONOGXRCSA-N 0 0 330.494 1.580 10 0 EDAERN O=C(NCCNC(=O)c1ccccc1F)N[C@H]1CCCC[C@H]1CO ZINC000175991339 442158567 /nfs/dbraw/zinc/15/85/67/442158567.db2.gz XJDMVGMUKMVILH-WFASDCNBSA-N 0 0 337.395 1.406 10 0 EDAERN C[C@@H](NC(=O)CCNC(=O)c1[nH]nc2ccccc21)[C@@H]1CCCO1 ZINC000170694719 442249830 /nfs/dbraw/zinc/24/98/30/442249830.db2.gz XSTHCMXCUWELBY-RISCZKNCSA-N 0 0 330.388 1.367 10 0 EDAERN COc1ccc(C)nc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000128210879 442252448 /nfs/dbraw/zinc/25/24/48/442252448.db2.gz VQJRCVFSUNHXKQ-GXTWGEPZSA-N 0 0 334.420 1.583 10 0 EDAERN O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127618531 442216237 /nfs/dbraw/zinc/21/62/37/442216237.db2.gz ICKIXFXMZYBJLO-PBHICJAKSA-N 0 0 339.399 1.710 10 0 EDAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NC(=O)NC1CCCCC1 ZINC000152478374 442217426 /nfs/dbraw/zinc/21/74/26/442217426.db2.gz XJDATNFBFPZHJV-INIZCTEOSA-N 0 0 346.431 1.693 10 0 EDAERN COCCN(C)S(=O)(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000127649298 442218159 /nfs/dbraw/zinc/21/81/59/442218159.db2.gz ZRBUHHXEOFVQBP-CYBMUJFWSA-N 0 0 328.434 1.701 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1c(C)cccc1C(C)C ZINC000166896344 442218427 /nfs/dbraw/zinc/21/84/27/442218427.db2.gz KIQYLCNIJXNAKH-CQSZACIVSA-N 0 0 331.416 1.794 10 0 EDAERN CCNC(=O)CCCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176438928 442221912 /nfs/dbraw/zinc/22/19/12/442221912.db2.gz YYYDCEYUFIPTBZ-CQSZACIVSA-N 0 0 347.463 1.974 10 0 EDAERN CC(C)c1csc([C@H]2CCCN(Cc3nc(N)nc(N)n3)C2)n1 ZINC000127736899 442222958 /nfs/dbraw/zinc/22/29/58/442222958.db2.gz RDZMZRASQROZOD-JTQLQIEISA-N 0 0 333.465 1.996 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)C(=O)NCCCN2CCCC2=O)cc1 ZINC000170315870 442230246 /nfs/dbraw/zinc/23/02/46/442230246.db2.gz YETBZKPJSNLOJS-AWEZNQCLSA-N 0 0 345.443 1.555 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccc[nH]c1=O ZINC000176543420 442232880 /nfs/dbraw/zinc/23/28/80/442232880.db2.gz YCKBUOOSDPJDSB-CQSZACIVSA-N 0 0 347.440 1.994 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(Cc2ccccc2)CC1 ZINC000176590753 442237787 /nfs/dbraw/zinc/23/77/87/442237787.db2.gz JLQNPBZXUUAEIT-INIZCTEOSA-N 0 0 340.431 1.640 10 0 EDAERN Cc1cccc(OC[C@H](O)CNC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176604333 442239090 /nfs/dbraw/zinc/23/90/90/442239090.db2.gz SUAAWOXKNOYYSU-UKRRQHHQSA-N 0 0 345.403 1.161 10 0 EDAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000170655680 442243023 /nfs/dbraw/zinc/24/30/23/442243023.db2.gz OOEQRDUFNPOHRF-QWRGUYRKSA-N 0 0 332.447 1.671 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000170766558 442260677 /nfs/dbraw/zinc/26/06/77/442260677.db2.gz HGEVJDQAAYQJEB-CHWSQXEVSA-N 0 0 331.347 1.745 10 0 EDAERN COC(=O)c1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176832258 442261869 /nfs/dbraw/zinc/26/18/69/442261869.db2.gz GEQVEJBKCCBYPP-ZDUSSCGKSA-N 0 0 329.360 1.399 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCOc2ccc3ccccc3c2)C1 ZINC000170924759 442290118 /nfs/dbraw/zinc/29/01/18/442290118.db2.gz XSSXASRZNSFDPV-SFHVURJKSA-N 0 0 343.427 1.848 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2csc(Cc3ccc(F)cc3)n2)C1 ZINC000171030240 442301052 /nfs/dbraw/zinc/30/10/52/442301052.db2.gz UPFWUMOFLNFWCT-AWEZNQCLSA-N 0 0 349.431 1.933 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)C[C@H]1CCOC1)C(C)C ZINC000177274563 442323901 /nfs/dbraw/zinc/32/39/01/442323901.db2.gz QEYNDBDMBYBUIT-RHSMWYFYSA-N 0 0 348.443 1.945 10 0 EDAERN COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177329424 442328797 /nfs/dbraw/zinc/32/87/97/442328797.db2.gz YNTDCHLGNLKTBF-IUODEOHRSA-N 0 0 345.403 1.888 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(c2ccccn2)CC1 ZINC000177347382 442330618 /nfs/dbraw/zinc/33/06/18/442330618.db2.gz BFIOIPNALCYMFR-CYBMUJFWSA-N 0 0 327.392 1.040 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)Cn2c(C)cc(O)cc2=O)C1 ZINC000177410097 442338432 /nfs/dbraw/zinc/33/84/32/442338432.db2.gz WFGWUVOOLCCQRP-CQSZACIVSA-N 0 0 344.415 1.485 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000171289055 442339148 /nfs/dbraw/zinc/33/91/48/442339148.db2.gz SDXTZKQNJRJWTQ-GOSISDBHSA-N 0 0 340.423 1.369 10 0 EDAERN C[C@H](SC[C@@H](O)CO)C(=O)Nc1ccccc1Br ZINC000177440445 442341858 /nfs/dbraw/zinc/34/18/58/442341858.db2.gz PQAMFYNEDMZRHI-IUCAKERBSA-N 0 0 334.235 1.863 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ncccc2OCC(F)(F)F)C1 ZINC000177447334 442342481 /nfs/dbraw/zinc/34/24/81/442342481.db2.gz ZXEQGCJDYHCYHK-SNVBAGLBSA-N 0 0 333.310 1.083 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)CC2 ZINC000171458433 442350147 /nfs/dbraw/zinc/35/01/47/442350147.db2.gz NZWVKHFRDUXXKS-FZMZJTMJSA-N 0 0 342.403 1.228 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000177158680 442307396 /nfs/dbraw/zinc/30/73/96/442307396.db2.gz YGVORPSDLOFLTB-CYBMUJFWSA-N 0 0 337.383 1.733 10 0 EDAERN O=C(CN1CCC[C@H](n2cncn2)C1)NC(=O)NC1CCCCC1 ZINC000171705099 442372049 /nfs/dbraw/zinc/37/20/49/442372049.db2.gz LQDSQBAOXRUDCA-AWEZNQCLSA-N 0 0 334.424 1.074 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000177700974 442372541 /nfs/dbraw/zinc/37/25/41/442372541.db2.gz CBEKKDHZHVYOGP-JSGCOSHPSA-N 0 0 328.372 1.379 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177713710 442374280 /nfs/dbraw/zinc/37/42/80/442374280.db2.gz ZZXSAYBEWNIZFL-CXAGYDPISA-N 0 0 346.431 1.829 10 0 EDAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177745179 442378586 /nfs/dbraw/zinc/37/85/86/442378586.db2.gz WJCHJPDRSMFOTI-QWHCGFSZSA-N 0 0 332.429 1.754 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177771530 442381869 /nfs/dbraw/zinc/38/18/69/442381869.db2.gz OGFZHUDACSLSLQ-CQSZACIVSA-N 0 0 327.450 1.335 10 0 EDAERN C[C@H](CNC(=O)NCCOc1ncccc1Cl)N1CCOCC1 ZINC000155416563 442396571 /nfs/dbraw/zinc/39/65/71/442396571.db2.gz JFNGRHNQPQUXSN-GFCCVEGCSA-N 0 0 342.827 1.134 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1ccccn1 ZINC000155441793 442398660 /nfs/dbraw/zinc/39/86/60/442398660.db2.gz ZRFACAXGXDRRMT-CYBMUJFWSA-N 0 0 347.444 1.704 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3ccn(C(C)C)n3)CC2)n1 ZINC000172014385 442399255 /nfs/dbraw/zinc/39/92/55/442399255.db2.gz MLKFSZHWQQFBJX-UHFFFAOYSA-N 0 0 330.436 1.975 10 0 EDAERN O=C(Nc1cccc2cccnc21)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177546092 442355595 /nfs/dbraw/zinc/35/55/95/442355595.db2.gz KXJZEOYQJQSRRX-ZIAGYGMSSA-N 0 0 327.384 1.841 10 0 EDAERN CCOc1ccccc1C(=O)NCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000177550034 442356032 /nfs/dbraw/zinc/35/60/32/442356032.db2.gz BFVDWNJVUVUKIU-UKRRQHHQSA-N 0 0 334.416 1.482 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cccc(NC(=O)C2CC2)c1 ZINC000177562594 442357847 /nfs/dbraw/zinc/35/78/47/442357847.db2.gz NCACEEZQYVEVBP-CQSZACIVSA-N 0 0 325.372 1.892 10 0 EDAERN O=C(Nc1cccc(OCCF)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130853252 442358485 /nfs/dbraw/zinc/35/84/85/442358485.db2.gz PRPDJYOUTXQMPY-IUODEOHRSA-N 0 0 338.379 1.641 10 0 EDAERN COCCCS(=O)(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000177584084 442359927 /nfs/dbraw/zinc/35/99/27/442359927.db2.gz VEOSUSHANADQGO-UHFFFAOYSA-N 0 0 329.422 1.672 10 0 EDAERN CC(=O)N[C@@H](CC(=O)N[C@@H]1CCCn2ncnc21)c1ccc(C)cc1 ZINC000177588673 442360482 /nfs/dbraw/zinc/36/04/82/442360482.db2.gz UNOSUTHLAIGNPV-CVEARBPZSA-N 0 0 341.415 1.805 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2nncs2)CC1 ZINC000172044019 442403694 /nfs/dbraw/zinc/40/36/94/442403694.db2.gz GNDRVDSAYMCFQY-UHFFFAOYSA-N 0 0 335.437 1.238 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000177608005 442362306 /nfs/dbraw/zinc/36/23/06/442362306.db2.gz LDRCJBFZDPCNTI-JSGCOSHPSA-N 0 0 347.325 1.701 10 0 EDAERN Cc1cnn([C@@H]2CCCN(CC(=O)NC(=O)NC3CCCC3)C2)c1 ZINC000171621119 442363818 /nfs/dbraw/zinc/36/38/18/442363818.db2.gz RIFBDWNKKAWPHM-OAHLLOKOSA-N 0 0 333.436 1.597 10 0 EDAERN NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000172197878 442422496 /nfs/dbraw/zinc/42/24/96/442422496.db2.gz UHEDVSHBQANKLN-CYBMUJFWSA-N 0 0 345.330 1.820 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)c1 ZINC000172245082 442428977 /nfs/dbraw/zinc/42/89/77/442428977.db2.gz LDYNTYPLNVXFDD-GFCCVEGCSA-N 0 0 327.388 1.747 10 0 EDAERN O=C(Nc1cccc(OCC(F)F)n1)N[C@@H]1CCc2ncnn2C1 ZINC000133628591 442427010 /nfs/dbraw/zinc/42/70/10/442427010.db2.gz PIFZIFNCLDFITF-SECBINFHSA-N 0 0 338.318 1.454 10 0 EDAERN CC(C)[C@@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)N1CCOCC1 ZINC000155852177 442432263 /nfs/dbraw/zinc/43/22/63/442432263.db2.gz RDYAHWUNURZQIQ-QGZVFWFLSA-N 0 0 349.479 1.656 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CC[C@H](c2ccc(OC)cc2)C1)C(C)C ZINC000178426135 442432700 /nfs/dbraw/zinc/43/27/00/442432700.db2.gz MKPVRKBRANFDKX-GOEBONIOSA-N 0 0 333.432 1.965 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@@H](C)N1CCc2ccccc21)C(C)C ZINC000178442515 442434085 /nfs/dbraw/zinc/43/40/85/442434085.db2.gz QGQTUIIOCRTWDT-CZUORRHYSA-N 0 0 332.448 1.507 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000172292967 442436491 /nfs/dbraw/zinc/43/64/91/442436491.db2.gz CYUVGDBNYHAYQL-MRXNPFEDSA-N 0 0 345.451 1.522 10 0 EDAERN O=C(CCc1nc(-c2ccncc2)no1)NC[C@H]1CCCC[C@@H]1O ZINC000155953395 442439004 /nfs/dbraw/zinc/43/90/04/442439004.db2.gz MSWVYCBGAHSXJF-KGLIPLIRSA-N 0 0 330.388 1.732 10 0 EDAERN COc1c(C)ccc(NC(=O)C(=O)NCCn2cc(C)cn2)c1C ZINC000172312442 442442808 /nfs/dbraw/zinc/44/28/08/442442808.db2.gz GGTFGHCWBFXNQU-UHFFFAOYSA-N 0 0 330.388 1.572 10 0 EDAERN CCOCC[N@@H+]1CCN(c2ccc(-n3ccc(C)n3)nn2)C[C@H]1CC ZINC000134170012 442454624 /nfs/dbraw/zinc/45/46/24/442454624.db2.gz VVTVVTIBOXMUAE-MRXNPFEDSA-N 0 0 344.463 1.908 10 0 EDAERN O=C(C[C@H](O)c1cccc(F)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000179840180 442510233 /nfs/dbraw/zinc/51/02/33/442510233.db2.gz YIECDXWRJKHEHE-HOTGVXAUSA-N 0 0 333.363 1.373 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)cn1 ZINC000191742958 442503513 /nfs/dbraw/zinc/50/35/13/442503513.db2.gz HGXAGKLBFMOUIP-QGZVFWFLSA-N 0 0 345.447 1.786 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)C(C)C ZINC000178715823 442461808 /nfs/dbraw/zinc/46/18/08/442461808.db2.gz XEJHQXVHOYPLOM-OAHLLOKOSA-N 0 0 330.388 1.556 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 ZINC000134336913 442471408 /nfs/dbraw/zinc/47/14/08/442471408.db2.gz IBTSVRZDQQJXPQ-KOLCDFICSA-N 0 0 326.360 1.003 10 0 EDAERN C[C@@H](NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@H]1CCCO1 ZINC000186152922 442473650 /nfs/dbraw/zinc/47/36/50/442473650.db2.gz WNMVAAYBLNBPBL-IUODEOHRSA-N 0 0 333.436 1.686 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@@H](C)CN3CCOCC3)CC2)cn1 ZINC000156386080 442475849 /nfs/dbraw/zinc/47/58/49/442475849.db2.gz YIWQCIHXBFKUJH-HNNXBMFYSA-N 0 0 349.479 1.513 10 0 EDAERN O=C(NC[C@H]1CCCO1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172505386 442476202 /nfs/dbraw/zinc/47/62/02/442476202.db2.gz LCQOVONHEKARDQ-CYBMUJFWSA-N 0 0 330.388 1.838 10 0 EDAERN CSCCCCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000186178042 442478802 /nfs/dbraw/zinc/47/88/02/442478802.db2.gz SUISENOEIQCBKU-LSDHHAIUSA-N 0 0 329.510 1.882 10 0 EDAERN CC(=O)N1CC(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000191897291 442535262 /nfs/dbraw/zinc/53/52/62/442535262.db2.gz RSZJRQVLCHNMGK-AWEZNQCLSA-N 0 0 331.420 1.146 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1OC ZINC000172755044 442535356 /nfs/dbraw/zinc/53/53/56/442535356.db2.gz JOQPDWPPFFAQCU-MQDFFIGUSA-N 0 0 346.427 1.650 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)C12CCOCC2 ZINC000186450080 442536420 /nfs/dbraw/zinc/53/64/20/442536420.db2.gz OFJOOYRCJLDSEH-CABCVRRESA-N 0 0 332.400 1.490 10 0 EDAERN COCCCC(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191904587 442537364 /nfs/dbraw/zinc/53/73/64/442537364.db2.gz LYTHHXZJWMSGDG-UHFFFAOYSA-N 0 0 328.453 1.678 10 0 EDAERN O=C(CSC[C@@H]1CCCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000172764586 442537610 /nfs/dbraw/zinc/53/76/10/442537610.db2.gz MCSHUSSQWGMJKA-GJZGRUSLSA-N 0 0 328.478 1.222 10 0 EDAERN CCOCCN1CCN(C(=O)C2CCC(C(=O)OC)CC2)CC1 ZINC000180198421 442556965 /nfs/dbraw/zinc/55/69/65/442556965.db2.gz NNOYJJYLGKQPQT-UHFFFAOYSA-N 0 0 326.437 1.147 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cncc(-c3ccc(C)cc3)c2)C1 ZINC000186320585 442511361 /nfs/dbraw/zinc/51/13/61/442511361.db2.gz FQDIZIQMJJKOKM-UHFFFAOYSA-N 0 0 339.395 1.644 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2ccc(Br)cn2)C1 ZINC000134690036 442512014 /nfs/dbraw/zinc/51/20/14/442512014.db2.gz RUHUZRPCCLSLGG-LLVKDONJSA-N 0 0 328.210 1.295 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3cnc4ccc(C)cn34)CCO2)[nH]1 ZINC000156717244 442513327 /nfs/dbraw/zinc/51/33/27/442513327.db2.gz OGZONXCZZCFJLQ-CQSZACIVSA-N 0 0 326.404 1.897 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000180265710 442570445 /nfs/dbraw/zinc/57/04/45/442570445.db2.gz BBJAYFJZNCLABK-INIZCTEOSA-N 0 0 325.368 1.439 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cn(C(C)(C)C)nc2C)n1 ZINC000186606856 442571549 /nfs/dbraw/zinc/57/15/49/442571549.db2.gz YGUTYFPWLIMCBN-CYBMUJFWSA-N 0 0 333.392 1.852 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1ccc(C)cc1F ZINC000192024784 442572483 /nfs/dbraw/zinc/57/24/83/442572483.db2.gz LYXYPACMPNUASK-AWEZNQCLSA-N 0 0 338.408 1.989 10 0 EDAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000179123098 442577256 /nfs/dbraw/zinc/57/72/56/442577256.db2.gz CIFXNYWDYQJOQH-CQSZACIVSA-N 0 0 346.408 1.896 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)C(C)C ZINC000179125103 442578340 /nfs/dbraw/zinc/57/83/40/442578340.db2.gz PQROUUBRVCJSJV-OAHLLOKOSA-N 0 0 340.468 1.285 10 0 EDAERN C[C@H](NC(=O)CNC(=O)CC1CCCCC1)c1nnc2n1CCCC2 ZINC000135334751 442581886 /nfs/dbraw/zinc/58/18/86/442581886.db2.gz INJONTBYUBVCSD-ZDUSSCGKSA-N 0 0 347.463 1.878 10 0 EDAERN COc1cccc2[nH]cc(CC(=O)NC[C@@H](C)N3CCOCC3)c21 ZINC000180344292 442584433 /nfs/dbraw/zinc/58/44/33/442584433.db2.gz AZDGGNOOTJYICP-CYBMUJFWSA-N 0 0 331.416 1.556 10 0 EDAERN O=C(c1cccc(-n2cccn2)n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000135483039 442601130 /nfs/dbraw/zinc/60/11/30/442601130.db2.gz BDPXTBSBIAZYJR-AWEZNQCLSA-N 0 0 338.371 1.005 10 0 EDAERN COC(=O)C1CCC(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000180449120 442603370 /nfs/dbraw/zinc/60/33/70/442603370.db2.gz RVXGYIITTCDSQG-WLYUNCDWSA-N 0 0 334.420 1.496 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180251280 442567366 /nfs/dbraw/zinc/56/73/66/442567366.db2.gz HOXSUDKZJQUDDZ-XJKSGUPXSA-N 0 0 349.406 1.252 10 0 EDAERN COCCCCCNC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000192374919 442641723 /nfs/dbraw/zinc/64/17/23/442641723.db2.gz YTXJCBAAOUARGE-QWHCGFSZSA-N 0 0 326.397 1.666 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccn(C4CCCC4)n3)CCO2)[nH]1 ZINC000157824511 442617767 /nfs/dbraw/zinc/61/77/67/442617767.db2.gz OCDCLXMNYGTWBH-CQSZACIVSA-N 0 0 330.392 1.638 10 0 EDAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135795361 442634256 /nfs/dbraw/zinc/63/42/56/442634256.db2.gz FLNSVYHMSQOSGQ-CQSZACIVSA-N 0 0 338.367 1.405 10 0 EDAERN CCCn1cc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000181026684 442675834 /nfs/dbraw/zinc/67/58/34/442675834.db2.gz JFVYPXRKYOLXSM-HNNXBMFYSA-N 0 0 328.420 1.824 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000192580795 442665521 /nfs/dbraw/zinc/66/55/21/442665521.db2.gz PLTJKKURWIZJOT-CZUORRHYSA-N 0 0 334.464 1.354 10 0 EDAERN COC(=O)CN(C)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000193165099 442719014 /nfs/dbraw/zinc/71/90/14/442719014.db2.gz HMSIXDPLOGWUCU-CQSZACIVSA-N 0 0 340.807 1.726 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000181886287 442720602 /nfs/dbraw/zinc/72/06/02/442720602.db2.gz GBKBEIDBUCNVPC-LSDHHAIUSA-N 0 0 339.436 1.374 10 0 EDAERN O[C@@H](COCc1ccccc1)CN1CCN(c2cnccn2)CC1 ZINC000193219921 442723657 /nfs/dbraw/zinc/72/36/57/442723657.db2.gz OKRRVSOZAKBARZ-QGZVFWFLSA-N 0 0 328.416 1.176 10 0 EDAERN Cc1cc(CNS(=O)(=O)c2ccc(C)c(C)c2)nc(N(C)C)n1 ZINC000188282532 442733459 /nfs/dbraw/zinc/73/34/59/442733459.db2.gz UAXYFJYKHYJTCB-UHFFFAOYSA-N 0 0 334.445 1.946 10 0 EDAERN CC[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1ccc(Cl)cc1 ZINC000188285756 442733973 /nfs/dbraw/zinc/73/39/73/442733973.db2.gz VCFVVLPRUNAERQ-AWEZNQCLSA-N 0 0 339.823 1.948 10 0 EDAERN CCc1[nH]c(C(=O)N2CC(NC(=O)C3CCC3)C2)c(C)c1C(=O)OC ZINC000188498407 442756887 /nfs/dbraw/zinc/75/68/87/442756887.db2.gz MLVNZPQYCMPWES-UHFFFAOYSA-N 0 0 347.415 1.413 10 0 EDAERN COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193417292 442741252 /nfs/dbraw/zinc/74/12/52/442741252.db2.gz UNBKBSLHCFFADR-HYVNUMGLSA-N 0 0 348.443 1.880 10 0 EDAERN COCCC1(CNC(=O)NC[C@H](C)N2CCOCC2)CCCCC1 ZINC000188356232 442742784 /nfs/dbraw/zinc/74/27/84/442742784.db2.gz BXAPOEFJBQBLAN-INIZCTEOSA-N 0 0 341.496 1.993 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cnn1C1CCCC1 ZINC000193449428 442743474 /nfs/dbraw/zinc/74/34/74/442743474.db2.gz DQHCLVPBLINJLF-ZFWWWQNUSA-N 0 0 348.447 1.912 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(Cl)s2)C1 ZINC000188434142 442749420 /nfs/dbraw/zinc/74/94/20/442749420.db2.gz LWGPMCSJRORFBC-UHFFFAOYSA-N 0 0 331.825 1.100 10 0 EDAERN COc1ccc(-n2nc(C(=O)N3CCCNC(=O)[C@@H]3C)cc2C)cc1 ZINC000188071852 442708227 /nfs/dbraw/zinc/70/82/27/442708227.db2.gz PITBCSFTUFBYHL-ZDUSSCGKSA-N 0 0 342.399 1.540 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C[C@@H]1C ZINC000246617098 442796977 /nfs/dbraw/zinc/79/69/77/442796977.db2.gz CTEFVDKJECQEHB-KBPBESRZSA-N 0 0 346.406 1.539 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(CC)c2)C[C@@H]1C ZINC000246627727 442797541 /nfs/dbraw/zinc/79/75/41/442797541.db2.gz YLJVQLAATFKZLT-HNNXBMFYSA-N 0 0 340.489 1.980 10 0 EDAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CC(NC(=O)C2CCC2)C1 ZINC000188743442 442801102 /nfs/dbraw/zinc/80/11/02/442801102.db2.gz FQKMUAQHRKNLNW-FNORWQNLSA-N 0 0 328.368 1.556 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)C1 ZINC000188527992 442760481 /nfs/dbraw/zinc/76/04/81/442760481.db2.gz WJCDCSQEWORLFJ-AWEZNQCLSA-N 0 0 347.459 1.899 10 0 EDAERN O=C(NC1CN(C(=O)c2c[nH]nc2-c2ccccc2F)C1)C1CCC1 ZINC000188535411 442761107 /nfs/dbraw/zinc/76/11/07/442761107.db2.gz HJKUBYQLUAEJOC-UHFFFAOYSA-N 0 0 342.374 1.957 10 0 EDAERN CCC(C)(C)NC(=O)CS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182393724 442763249 /nfs/dbraw/zinc/76/32/49/442763249.db2.gz SVGWRWICKGUHLA-UHFFFAOYSA-N 0 0 330.454 1.158 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188784899 442812846 /nfs/dbraw/zinc/81/28/46/442812846.db2.gz RUPIKVSMOFJBON-UHFFFAOYSA-N 0 0 344.415 1.455 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)N3CCCCCC3)CCO2)n1 ZINC000193946273 442817095 /nfs/dbraw/zinc/81/70/95/442817095.db2.gz OIUQQVADNXGFFW-CYBMUJFWSA-N 0 0 345.490 1.946 10 0 EDAERN COCCC[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182791602 442826177 /nfs/dbraw/zinc/82/61/77/442826177.db2.gz METHLQJPPQONIK-GXTWGEPZSA-N 0 0 336.436 1.403 10 0 EDAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)Oc1ccccc1 ZINC000188854018 442828290 /nfs/dbraw/zinc/82/82/90/442828290.db2.gz OJVXMIPKGCQPRB-CYBMUJFWSA-N 0 0 331.416 1.764 10 0 EDAERN CNC(=O)[C@H](NCc1nnc(C(=O)Nc2ccccc2)s1)C(C)C ZINC000182807647 442828592 /nfs/dbraw/zinc/82/85/92/442828592.db2.gz OCNYFQUPSHASBA-CYBMUJFWSA-N 0 0 347.444 1.651 10 0 EDAERN COC[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188971938 442852024 /nfs/dbraw/zinc/85/20/24/442852024.db2.gz FKUJFXJQHZTBPX-NHYWBVRUSA-N 0 0 340.370 1.855 10 0 EDAERN COc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1OC(F)F ZINC000188938868 442846115 /nfs/dbraw/zinc/84/61/15/442846115.db2.gz CKJALIIIFFDMKF-SECBINFHSA-N 0 0 328.315 1.647 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000182979151 442858556 /nfs/dbraw/zinc/85/85/56/442858556.db2.gz QCRVQKAGGUXMGY-CYBMUJFWSA-N 0 0 349.412 1.774 10 0 EDAERN COC(=O)c1ccc2[nH]cc(C(=O)CN3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000189014490 442861032 /nfs/dbraw/zinc/86/10/32/442861032.db2.gz PEUPDCHXFDCIKL-CQSZACIVSA-N 0 0 341.411 1.917 10 0 EDAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000179418877 318458702 /nfs/dbraw/zinc/45/87/02/318458702.db2.gz LBJKAJARNLZNHK-RDJZCZTQSA-N 0 0 341.496 1.088 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000183131789 442886019 /nfs/dbraw/zinc/88/60/19/442886019.db2.gz FQXHJIKGSSNPIK-KBPBESRZSA-N 0 0 335.452 1.383 10 0 EDAERN O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccn[nH]1 ZINC000180925523 318475840 /nfs/dbraw/zinc/47/58/40/318475840.db2.gz LCKBFSIBSZOEML-GHMZBOCLSA-N 0 0 334.326 1.338 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000189229838 442901846 /nfs/dbraw/zinc/90/18/46/442901846.db2.gz UYRFCPMPUBJZJG-GDBMZVCRSA-N 0 0 347.484 1.514 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(C)cc1OCC1CC1 ZINC000189251741 442905136 /nfs/dbraw/zinc/90/51/36/442905136.db2.gz NKPHIQXAZNGJKM-IAGOWNOFSA-N 0 0 346.427 1.382 10 0 EDAERN CC(C)n1nnnc1CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000182184151 318500569 /nfs/dbraw/zinc/50/05/69/318500569.db2.gz CCTCDRANFVUEIV-MRXNPFEDSA-N 0 0 330.436 1.417 10 0 EDAERN COCCn1cc(C(=O)NC[C@@H]2CN(C)CCO2)c2ccccc21 ZINC000194603317 442921569 /nfs/dbraw/zinc/92/15/69/442921569.db2.gz UXZWYQIBBWJCDE-CQSZACIVSA-N 0 0 331.416 1.348 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@@H](O)COc2ccccc2C)C1 ZINC000189339746 442925236 /nfs/dbraw/zinc/92/52/36/442925236.db2.gz JNTCRFQJDBXEOL-OWCLPIDISA-N 0 0 347.415 1.888 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CCCc3cccnc32)C[C@H]1N1CCOCC1 ZINC000248832831 442928309 /nfs/dbraw/zinc/92/83/09/442928309.db2.gz MSSOEHWUWZLCCM-HYVNUMGLSA-N 0 0 329.444 1.681 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000194672108 442935626 /nfs/dbraw/zinc/93/56/26/442935626.db2.gz YISQFOBDMUAEHY-UHFFFAOYSA-N 0 0 327.344 1.097 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000248944360 442939292 /nfs/dbraw/zinc/93/92/92/442939292.db2.gz CCASGKVQPTWFAJ-RHSMWYFYSA-N 0 0 328.412 1.790 10 0 EDAERN O=C(N[C@H]1COc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000194706386 442940494 /nfs/dbraw/zinc/94/04/94/442940494.db2.gz BZIFDSXAPZTYSC-AWEZNQCLSA-N 0 0 325.372 1.442 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2nc3ccccc3[nH]2)n1 ZINC000186611800 318551014 /nfs/dbraw/zinc/55/10/14/318551014.db2.gz DHWOBHBNWIWWEJ-AWEZNQCLSA-N 0 0 341.371 1.787 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)N[C@@H](COC)c3ccco3)CCO2)cn1 ZINC000189420317 442947559 /nfs/dbraw/zinc/94/75/59/442947559.db2.gz VEFNTZHXGTVSMP-HOCLYGCPSA-N 0 0 348.403 1.967 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000249240663 442961448 /nfs/dbraw/zinc/96/14/48/442961448.db2.gz QDIXBIRQNDFCGK-YNEHKIRRSA-N 0 0 341.477 1.678 10 0 EDAERN O=C(Nc1ccncc1)c1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194832490 318593678 /nfs/dbraw/zinc/59/36/78/318593678.db2.gz BIUAPUICUQYORC-CQSZACIVSA-N 0 0 338.367 1.086 10 0 EDAERN COCCN1CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C[C@H]1C ZINC000189659566 442990441 /nfs/dbraw/zinc/99/04/41/442990441.db2.gz VFDKCDPTWGZSDW-ZIAGYGMSSA-N 0 0 327.469 1.106 10 0 EDAERN CCc1cc(NC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)n(C)n1 ZINC000189431655 442951524 /nfs/dbraw/zinc/95/15/24/442951524.db2.gz NCJPSJLAPKSELP-NWDGAFQWSA-N 0 0 334.380 1.668 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(C3N=NC(=S)O3)cc2)C1)C1CC1 ZINC000189436086 442952413 /nfs/dbraw/zinc/95/24/13/442952413.db2.gz FAPSOQXIZUVOMQ-UHFFFAOYSA-N 0 0 344.396 1.376 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(C(F)(F)F)cc2O)C1)C1CC1 ZINC000189437501 442953108 /nfs/dbraw/zinc/95/31/08/442953108.db2.gz KZWFUCDRAVLFHM-UHFFFAOYSA-N 0 0 328.290 1.762 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1nncn1-c1ccccc1 ZINC000184253486 443005652 /nfs/dbraw/zinc/00/56/52/443005652.db2.gz KVTGBHQJTIRYTK-MRXNPFEDSA-N 0 0 343.431 1.384 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OC[C@@H]2CCCCO2)C1 ZINC000195405405 443016170 /nfs/dbraw/zinc/01/61/70/443016170.db2.gz ARFGKKCGTCKSPZ-OAGGEKHMSA-N 0 0 340.464 1.868 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)Nc2cn(C)c(=O)cc2C)C12CCOCC2 ZINC000184471867 443025567 /nfs/dbraw/zinc/02/55/67/443025567.db2.gz PQDSIWIFLBHWCP-GJZGRUSLSA-N 0 0 349.431 1.789 10 0 EDAERN Cc1ccc(C)c(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c1 ZINC000224190044 443096852 /nfs/dbraw/zinc/09/68/52/443096852.db2.gz XCPWWMCTMMOWOT-UHFFFAOYSA-N 0 0 334.445 1.946 10 0 EDAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccccc1F ZINC000224358653 443097980 /nfs/dbraw/zinc/09/79/80/443097980.db2.gz UPMOGOBFTHQGRY-UHFFFAOYSA-N 0 0 345.378 1.771 10 0 EDAERN Cc1noc([C@@H]2CN(C(=O)c3ccc4ccccc4n3)C[C@H]2CO)n1 ZINC000253414314 443060305 /nfs/dbraw/zinc/06/03/05/443060305.db2.gz XBKNKWIQKPSVNX-UONOGXRCSA-N 0 0 338.367 1.774 10 0 EDAERN O=c1nc(CN2C[C@H](O)C[C@@H]2CO)[nH]c2scc(-c3ccco3)c21 ZINC000184715721 443064615 /nfs/dbraw/zinc/06/46/15/443064615.db2.gz DNOLLUBKRCTLRH-NXEZZACHSA-N 0 0 347.396 1.172 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000184718672 443066065 /nfs/dbraw/zinc/06/60/65/443066065.db2.gz GHWRJBIJSFVNML-AWEZNQCLSA-N 0 0 349.431 1.939 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(NC(C)=O)cc2)CC1 ZINC000184781135 443076077 /nfs/dbraw/zinc/07/60/77/443076077.db2.gz VHSUDVIHOJYICX-QGZVFWFLSA-N 0 0 348.447 1.243 10 0 EDAERN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000255028684 443081974 /nfs/dbraw/zinc/08/19/74/443081974.db2.gz WMIFMFSTMUPZIW-UYWPIULCSA-N 0 0 341.367 1.553 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(F)cc2F)n1 ZINC000185084920 443132954 /nfs/dbraw/zinc/13/29/54/443132954.db2.gz WANIXZOIOAXHHX-CYBMUJFWSA-N 0 0 338.314 1.668 10 0 EDAERN Cc1ncc(/C=C\C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000255863616 443112592 /nfs/dbraw/zinc/11/25/92/443112592.db2.gz INLJVLUXILAPES-PLNGDYQASA-N 0 0 345.472 1.933 10 0 EDAERN CC(=O)NC1CN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000190464607 443113583 /nfs/dbraw/zinc/11/35/83/443113583.db2.gz OFCDOHYBSCKOEN-UHFFFAOYSA-N 0 0 346.818 1.854 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2ccc(Br)cc2C)C1 ZINC000190467549 443115033 /nfs/dbraw/zinc/11/50/33/443115033.db2.gz DSJYPAAJFSQNLO-UHFFFAOYSA-N 0 0 325.206 1.647 10 0 EDAERN CCC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000185034515 443121883 /nfs/dbraw/zinc/12/18/83/443121883.db2.gz UTNAAHHYZOWZRB-ZBFHGGJFSA-N 0 0 333.432 1.567 10 0 EDAERN CC(=O)N(C)CCc1noc(C2CN(C(=O)Cc3cccs3)C2)n1 ZINC000257196492 443123277 /nfs/dbraw/zinc/12/32/77/443123277.db2.gz YHTGEPAGUBGKED-UHFFFAOYSA-N 0 0 348.428 1.320 10 0 EDAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2c(C)noc2C)C12CCOCC2 ZINC000185150018 443147871 /nfs/dbraw/zinc/14/78/71/443147871.db2.gz VODLVBHMVWKVGK-STQMWFEESA-N 0 0 344.433 1.544 10 0 EDAERN Cc1noc([C@@H]2COCCN2Cc2cc(=O)n3cccc(C)c3n2)n1 ZINC000185069902 443129660 /nfs/dbraw/zinc/12/96/60/443129660.db2.gz ROGKBYVBADLKCS-AWEZNQCLSA-N 0 0 341.371 1.268 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000190734811 443173249 /nfs/dbraw/zinc/17/32/49/443173249.db2.gz LIGOXXMMVSBREV-MRXNPFEDSA-N 0 0 338.791 1.624 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2C)CC1 ZINC000185413544 443196658 /nfs/dbraw/zinc/19/66/58/443196658.db2.gz WHQFNMZTMPYZJS-KRWDZBQOSA-N 0 0 342.443 1.709 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000185287964 443176918 /nfs/dbraw/zinc/17/69/18/443176918.db2.gz CSDZBZAGERQWAD-UHFFFAOYSA-N 0 0 348.790 1.113 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)s1 ZINC000190833516 443190888 /nfs/dbraw/zinc/19/08/88/443190888.db2.gz YDPGFUQNIKDTGI-LLVKDONJSA-N 0 0 333.417 1.532 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCn1cnc2ccccc21 ZINC000191122457 443244526 /nfs/dbraw/zinc/24/45/26/443244526.db2.gz RTHHIXYKIGWVHE-CYBMUJFWSA-N 0 0 329.404 1.346 10 0 EDAERN Cn1cc(CCNC(=O)NC[C@H]2CN(C)CCO2)c2ccc(F)cc21 ZINC000185678778 443237387 /nfs/dbraw/zinc/23/73/87/443237387.db2.gz NJVCNNBHNRJEQA-HNNXBMFYSA-N 0 0 348.422 1.490 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)C[C@H]1C ZINC000245603491 443239170 /nfs/dbraw/zinc/23/91/70/443239170.db2.gz GZCMOUBENXOPSX-MNOVXSKESA-N 0 0 346.349 1.938 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2CCO)C12CCOCC2 ZINC000185698062 443241177 /nfs/dbraw/zinc/24/11/77/443241177.db2.gz KVPKJGCPGCNTEZ-BZUAXINKSA-N 0 0 340.464 1.907 10 0 EDAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000185475272 443205516 /nfs/dbraw/zinc/20/55/16/443205516.db2.gz GOHGKXNYHUGRTH-KBPBESRZSA-N 0 0 337.468 1.765 10 0 EDAERN C[C@@H](NC(=O)c1ccc2nnn(C)c2c1)c1nnc2n1CCCC2 ZINC000185520681 443212927 /nfs/dbraw/zinc/21/29/27/443212927.db2.gz WJYLKSDLPIBEPH-SNVBAGLBSA-N 0 0 325.376 1.387 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C[C@@H]1C ZINC000185957900 443290419 /nfs/dbraw/zinc/29/04/19/443290419.db2.gz SRGXNQYOEHMOMR-HNNXBMFYSA-N 0 0 349.475 1.776 10 0 EDAERN CC1=C[C@@]23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@H](C[C@H]3C)C1(C)C ZINC000267324873 443419078 /nfs/dbraw/zinc/41/90/78/443419078.db2.gz FOSYZKSOJUQLTD-OWILEJJTSA-N 0 0 332.440 1.843 10 0 EDAERN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ccc(C#N)nc2)C1 ZINC000547680776 320839187 /nfs/dbraw/zinc/83/91/87/320839187.db2.gz BHBCFOUTWUUQLN-INIZCTEOSA-N 0 0 327.413 1.960 10 0 EDAERN NC(=O)[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@H]1C(F)(F)F ZINC000299740745 444128624 /nfs/dbraw/zinc/12/86/24/444128624.db2.gz BOWCCGRLFSKHDE-GHMZBOCLSA-N 0 0 340.305 1.832 10 0 EDAERN NC(=O)c1noc([C@@H]2CCCN2Cc2cc3ccccc3[nH]c2=O)n1 ZINC000328655834 444417558 /nfs/dbraw/zinc/41/75/58/444417558.db2.gz YUDAWTPZFURUIF-ZDUSSCGKSA-N 0 0 339.355 1.759 10 0 EDAERN CN(C)c1nccc([C@@H]2CN(C(=O)CC[C@H]3CCCOC3)CCO2)n1 ZINC000328630402 444402318 /nfs/dbraw/zinc/40/23/18/444402318.db2.gz PUEQTMMODVGFKY-ZBFHGGJFSA-N 0 0 348.447 1.649 10 0 EDAERN OCCOc1cncc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000375441610 446801733 /nfs/dbraw/zinc/80/17/33/446801733.db2.gz SRZFWSJNQIQVMX-GFCCVEGCSA-N 0 0 331.376 1.492 10 0 EDAERN C[C@@H]1CN(C)C[C@H](c2nc(-c3cccc(N4CCNC4=O)c3)no2)O1 ZINC000527544362 448260675 /nfs/dbraw/zinc/26/06/75/448260675.db2.gz CDVRETCXANZNPE-BXUZGUMPSA-N 0 0 343.387 1.658 10 0 EDAERN C[N@@H+](CC(=O)N1CCCCC1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000583615030 448441411 /nfs/dbraw/zinc/44/14/11/448441411.db2.gz JYSJLRMZJQNGRS-IRXDYDNUSA-N 0 0 349.454 1.333 10 0 EDAERN Cc1n[nH]nc1C(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 ZINC000583617381 448444002 /nfs/dbraw/zinc/44/40/02/448444002.db2.gz DOBAZHVFCSUTCQ-AWEZNQCLSA-N 0 0 330.388 1.812 10 0 EDAERN COCO[C@@H]([C@H](C)/C=C(\C)I)[C@@H](O)COC ZINC000584658848 448590007 /nfs/dbraw/zinc/59/00/07/448590007.db2.gz LWKJBIRVLLWETQ-CEBJFGKFSA-N 0 0 344.189 1.958 10 0 EDAERN CN1C[C@@H](CNC(=O)c2c(F)cc(Br)cc2F)CC1=O ZINC000619003935 450373275 /nfs/dbraw/zinc/37/32/75/450373275.db2.gz OZEYSBUKBQPDIV-SSDOTTSWSA-N 0 0 347.159 1.935 10 0 EDAERN CN1C[C@@H](CNC(=O)c2ccc(Br)cc2F)CC1=O ZINC000619009770 450378012 /nfs/dbraw/zinc/37/80/12/450378012.db2.gz OEYMGTSGQZRWSV-MRVPVSSYSA-N 0 0 329.169 1.796 10 0 EDAERN Cc1cnc(S[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[nH]c1=O ZINC000616581222 450453676 /nfs/dbraw/zinc/45/36/76/450453676.db2.gz JZXBUADHQZSMDL-NXEZZACHSA-N 0 0 327.406 1.563 10 0 EDAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 ZINC000616585753 450453877 /nfs/dbraw/zinc/45/38/77/450453877.db2.gz SCYVQBIYQXRULL-CQSZACIVSA-N 0 0 332.381 1.849 10 0 EDAERN CCOC(=O)c1ccc([C@H]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000616600494 450454820 /nfs/dbraw/zinc/45/48/20/450454820.db2.gz KJIHEHCCHOVIGL-LBPRGKRZSA-N 0 0 326.418 1.636 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1cccc(CCO)c1 ZINC000616639915 450456813 /nfs/dbraw/zinc/45/68/13/450456813.db2.gz SATYYPMXLVXMGW-GOSISDBHSA-N 0 0 346.452 1.557 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@@H]1c1ccc2ccnnc2c1 ZINC000616679602 450459208 /nfs/dbraw/zinc/45/92/08/450459208.db2.gz FKSZGWULNSHVFW-KRWDZBQOSA-N 0 0 340.408 1.781 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@H]1c1ccc2nnccc2c1 ZINC000616682630 450460111 /nfs/dbraw/zinc/46/01/11/450460111.db2.gz AFJCEECYIPXCAS-INIZCTEOSA-N 0 0 341.396 1.807 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccn1C ZINC000657145662 453705051 /nfs/dbraw/zinc/70/50/51/453705051.db2.gz ODMVVENJXRVDBF-GXTWGEPZSA-N 0 0 338.433 1.298 10 0 EDAERN Cc1ccccc1S(=O)(=O)NC[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000668314902 485567425 /nfs/dbraw/zinc/56/74/25/485567425.db2.gz UBNYUKNOWUHPCH-XJKSGUPXSA-N 0 0 335.429 1.785 10 0 EDAERN Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000669496021 486269617 /nfs/dbraw/zinc/26/96/17/486269617.db2.gz LFACVQGQDIGXMF-FZMZJTMJSA-N 0 0 329.404 1.062 10 0 EDAERN C[C@@H](C(=O)N(C)c1ncccc1F)N1C(=O)c2ccccc2C1=O ZINC000131374753 491212941 /nfs/dbraw/zinc/21/29/41/491212941.db2.gz UGFXIYJIMGQKOS-JTQLQIEISA-N 0 0 327.315 1.868 10 0 EDAERN COc1ccsc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000122147666 491000185 /nfs/dbraw/zinc/00/01/85/491000185.db2.gz XBCYAEWTHMKLPN-NSHDSACASA-N 0 0 327.431 1.807 10 0 EDAERN CCN(C)C(=O)CC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000130354447 491005346 /nfs/dbraw/zinc/00/53/46/491005346.db2.gz QVFZXLDARNKUDE-UHFFFAOYSA-N 0 0 335.496 1.624 10 0 EDAERN C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(C(C)(C)C)cc1 ZINC000173871592 533741307 /nfs/dbraw/zinc/74/13/07/533741307.db2.gz UCBBZCYSIZDQHC-VIFPVBQESA-N 0 0 330.388 1.434 10 0 EDAERN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCS(C)(=O)=O ZINC000181336685 533741357 /nfs/dbraw/zinc/74/13/57/533741357.db2.gz YREZRJRDNOSYKE-AWEZNQCLSA-N 0 0 341.477 1.193 10 0 EDAERN C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@H]1N1CCOCC1 ZINC000173967699 533870293 /nfs/dbraw/zinc/87/02/93/533870293.db2.gz NQLZSABXLSYILG-WMLDXEAASA-N 0 0 340.427 1.869 10 0 EDAERN COc1ccc(Cn2cc(S(N)(=O)=O)cn2)cc1Br ZINC000159393497 533891029 /nfs/dbraw/zinc/89/10/29/533891029.db2.gz YZNGGDQGLUNXGV-UHFFFAOYSA-N 0 0 346.206 1.350 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)OCC(F)(F)F)C2=O)n(C)n1 ZINC000173319942 533896330 /nfs/dbraw/zinc/89/63/30/533896330.db2.gz GVTJFPOATKGVSP-VIFPVBQESA-N 0 0 334.298 1.512 10 0 EDAERN C[C@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(F)c(F)c1 ZINC000181636944 533944245 /nfs/dbraw/zinc/94/42/45/533944245.db2.gz AMDJMUKRAOPXTQ-QMMMGPOBSA-N 0 0 349.341 1.089 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)C(C)C ZINC000130740506 533973403 /nfs/dbraw/zinc/97/34/03/533973403.db2.gz KMLBDWAQDNYXOO-JJRVBVJISA-N 0 0 346.427 1.503 10 0 EDAERN COc1cc(F)c(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1F ZINC000157112208 533978161 /nfs/dbraw/zinc/97/81/61/533978161.db2.gz VGCZLCAVKVDWIS-PELKAZGASA-N 0 0 328.315 1.596 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171397074 534164812 /nfs/dbraw/zinc/16/48/12/534164812.db2.gz YJMWYTZUFKIFOQ-AWEZNQCLSA-N 0 0 328.372 1.731 10 0 EDAERN COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171433664 534294397 /nfs/dbraw/zinc/29/43/97/534294397.db2.gz MSFZYLYFOAWVPH-CQSZACIVSA-N 0 0 349.412 1.733 10 0 EDAERN Cc1noc(C)c1CNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152504037 534367233 /nfs/dbraw/zinc/36/72/33/534367233.db2.gz YBVIFDLABZSFCS-CQSZACIVSA-N 0 0 344.419 1.892 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H](C)C2 ZINC000181259478 534434770 /nfs/dbraw/zinc/43/47/70/534434770.db2.gz FTIRWERZKORBEZ-LRDDRELGSA-N 0 0 344.415 1.469 10 0 EDAERN NC(=S)c1ccccc1S(=O)(=O)NC[C@H]1CCCCS1 ZINC000156436703 534530186 /nfs/dbraw/zinc/53/01/86/534530186.db2.gz YJGPWUMFIAXKMN-SNVBAGLBSA-N 0 0 330.500 1.885 10 0 EDAERN O=C([C@H]1CNC(=O)C1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000129724310 534636186 /nfs/dbraw/zinc/63/61/86/534636186.db2.gz RZWQVJAYDRITEI-CABCVRRESA-N 0 0 344.436 1.946 10 0 EDAERN Nc1cccc(-c2nnnn2C[C@H]2COCCO2)c1Br ZINC000159195244 534737998 /nfs/dbraw/zinc/73/79/98/534737998.db2.gz OZWSFGTXHBYBDE-QMMMGPOBSA-N 0 0 340.181 1.100 10 0 EDAERN O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H]1CN1CCOCC1 ZINC000173754667 534855680 /nfs/dbraw/zinc/85/56/80/534855680.db2.gz JFLBDNLBFKRYME-AAKUMTKESA-N 0 0 336.457 1.784 10 0 EDAERN O=S1(=O)CCCC[C@H]1[C@H](O)Cc1ccc(Br)cn1 ZINC000158377829 534875425 /nfs/dbraw/zinc/87/54/25/534875425.db2.gz DZPAAZREFHLOLE-NEPJUHHUSA-N 0 0 334.235 1.715 10 0 EDAERN CC(=O)c1cccc([S@@](=O)c2ccc(S(N)(=O)=O)s2)c1 ZINC000211825393 534907905 /nfs/dbraw/zinc/90/79/05/534907905.db2.gz WBSAGRWRLMRQKD-LJQANCHMSA-N 0 0 329.424 1.765 10 0 EDAERN C[NH2+]C[C@H]1CCCN(c2ncc(Br)cc2C(=O)[O-])C1 ZINC000050043766 536466449 /nfs/dbraw/zinc/46/64/49/536466449.db2.gz ZYCDDSJREPARFI-SECBINFHSA-N 0 0 328.210 1.978 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000190299314 526709188 /nfs/dbraw/zinc/70/91/88/526709188.db2.gz ZFHSHGQPIVDXIZ-KRWDZBQOSA-N 0 0 342.374 1.840 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)C1 ZINC000190511118 526714127 /nfs/dbraw/zinc/71/41/27/526714127.db2.gz OQNFDFFQKPWJGR-UHFFFAOYSA-N 0 0 341.367 1.801 10 0 EDAERN CC(C)(C)[C@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168908386 526738388 /nfs/dbraw/zinc/73/83/88/526738388.db2.gz PKAHUJKDEZNKOI-LBPRGKRZSA-N 0 0 340.221 1.717 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC(Cn2ccnn2)CC1)C(C)C ZINC000154543593 527664637 /nfs/dbraw/zinc/66/46/37/527664637.db2.gz ZRTHRXPQWCDFRM-QGZVFWFLSA-N 0 0 349.479 1.704 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)C(C)C ZINC000152367902 527665994 /nfs/dbraw/zinc/66/59/94/527665994.db2.gz SPXXQVWHDNESMV-MAUKXSAKSA-N 0 0 346.475 1.963 10 0 EDAERN CC(C)NC(=O)[C@H]1COCCN1c1ccncc1Br ZINC000164085664 527716900 /nfs/dbraw/zinc/71/69/00/527716900.db2.gz CJZSSOSYASEROU-GFCCVEGCSA-N 0 0 328.210 1.574 10 0 EDAERN CCN1CCO[C@@H](CNc2ncncc2I)C1 ZINC000158935691 527732947 /nfs/dbraw/zinc/73/29/47/527732947.db2.gz SGXDRYCMHPXVFL-VIFPVBQESA-N 0 0 348.188 1.214 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2ccc(N)c(Br)c2)C1 ZINC000166003053 527738326 /nfs/dbraw/zinc/73/83/26/527738326.db2.gz IWTAKFPYCSJFHV-LLVKDONJSA-N 0 0 342.237 1.482 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)Cn2ccnc2C)C1 ZINC000171215797 527940538 /nfs/dbraw/zinc/94/05/38/527940538.db2.gz VTXJVILLCZMMJF-GDBMZVCRSA-N 0 0 349.479 1.918 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2c(C)cccc2F)C1 ZINC000157724475 527949981 /nfs/dbraw/zinc/94/99/81/527949981.db2.gz XOMBSBKTRXVSSP-ZDUSSCGKSA-N 0 0 349.406 1.980 10 0 EDAERN CC(C)OCCNS(=O)(=O)c1ccc(N)c(Br)c1 ZINC000159878159 527976374 /nfs/dbraw/zinc/97/63/74/527976374.db2.gz RKQFPNUIIXIYLV-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN CCC[C@H]1C(=O)N[C@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168876639 528362835 /nfs/dbraw/zinc/36/28/35/528362835.db2.gz HKLBIOGZVUGCOL-SKDRFNHKSA-N 0 0 340.221 1.860 10 0 EDAERN CCCNC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171792240 528400629 /nfs/dbraw/zinc/40/06/29/528400629.db2.gz JDSDFPCHNCFWEW-WMLDXEAASA-N 0 0 331.416 1.239 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000184260381 528485145 /nfs/dbraw/zinc/48/51/45/528485145.db2.gz XEDXWMZMCKUGCB-INIZCTEOSA-N 0 0 344.419 1.410 10 0 EDAERN CC(C)[C@@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168901225 528644190 /nfs/dbraw/zinc/64/41/90/528644190.db2.gz VLBBELSNFXZVHF-GFCCVEGCSA-N 0 0 326.194 1.327 10 0 EDAERN CC(C)n1ncc(Br)c1[C@@H](O)[C@@H](C)S(C)(=O)=O ZINC000159010220 528651316 /nfs/dbraw/zinc/65/13/16/528651316.db2.gz XMZODLFEGGCDLS-XCBNKYQSSA-N 0 0 325.228 1.693 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000176575533 528703845 /nfs/dbraw/zinc/70/38/45/528703845.db2.gz XACLZKDDPUDWEW-MYODQAERSA-N 0 0 341.481 1.588 10 0 EDAERN CC(C)Cn1cc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000180980903 528705663 /nfs/dbraw/zinc/70/56/63/528705663.db2.gz SDLDLZIXOHGLKQ-CQSZACIVSA-N 0 0 330.436 1.999 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N1CCOC[C@H]1CO ZINC000168172160 528828179 /nfs/dbraw/zinc/82/81/79/528828179.db2.gz PBDHJCVTKULYJC-LLVKDONJSA-N 0 0 331.210 1.494 10 0 EDAERN CCCC[C@@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC ZINC000181560977 528858067 /nfs/dbraw/zinc/85/80/67/528858067.db2.gz SHEPOWVARJLBTO-BXUZGUMPSA-N 0 0 328.434 1.716 10 0 EDAERN CC(C)N(CCc1nccs1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000158809615 528915495 /nfs/dbraw/zinc/91/54/95/528915495.db2.gz ZJSRUEZBINLWGN-GFCCVEGCSA-N 0 0 334.449 1.712 10 0 EDAERN CC(C)O[C@H]1C[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)C1 ZINC000333627178 534919882 /nfs/dbraw/zinc/91/98/82/534919882.db2.gz QNBVBFCHGOSSEC-LVQVYYBASA-N 0 0 325.453 1.447 10 0 EDAERN CC1(C)Cc2cccc(S(=O)(=O)N3CCc4cncnc4C3)c2O1 ZINC000328689528 534959502 /nfs/dbraw/zinc/95/95/02/534959502.db2.gz BIYHKXNLSAJCAJ-UHFFFAOYSA-N 0 0 345.424 1.937 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105855893 535095246 /nfs/dbraw/zinc/09/52/46/535095246.db2.gz QQEAFPNVXNKFTF-ZDUSSCGKSA-N 0 0 328.438 1.047 10 0 EDAERN CC(C)S(=O)(=O)N1CCC(Nc2cnc3c(n2)CCCC3)CC1 ZINC000333546663 535100688 /nfs/dbraw/zinc/10/06/88/535100688.db2.gz OQIMZIICFMGGRP-UHFFFAOYSA-N 0 0 338.477 1.970 10 0 EDAERN CC(C)n1nnnc1CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000195051826 535166760 /nfs/dbraw/zinc/16/67/60/535166760.db2.gz AUZMPASHWWGGTA-UHFFFAOYSA-N 0 0 343.435 1.010 10 0 EDAERN CCN1CCN(Cc2nnnn2CC2CCOCC2)c2ccccc21 ZINC000333323080 535724375 /nfs/dbraw/zinc/72/43/75/535724375.db2.gz LNDGUVGGWPBPRE-UHFFFAOYSA-N 0 0 342.447 1.946 10 0 EDAERN CCc1c(C(=O)N2CCCNC(=O)[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000191763032 536029036 /nfs/dbraw/zinc/02/90/36/536029036.db2.gz QTJLNPACSGGXSS-GFCCVEGCSA-N 0 0 344.390 1.924 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1C[C@H](C)O ZINC000246940409 536127858 /nfs/dbraw/zinc/12/78/58/536127858.db2.gz RTIUAADSFHLFJT-ZFWWWQNUSA-N 0 0 344.415 1.654 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(Cc1ccccn1)C1CC1)CC2 ZINC000172038630 536162657 /nfs/dbraw/zinc/16/26/57/536162657.db2.gz KSWDUVGPWMRYLF-CQSZACIVSA-N 0 0 340.431 1.925 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C[C@@](C)(O)c3ccccc3)CCO2)c1 ZINC000182430645 536300546 /nfs/dbraw/zinc/30/05/46/536300546.db2.gz CCBGBCGMQZFIAG-IEBWSBKVSA-N 0 0 343.427 1.717 10 0 EDAERN CN[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)c1cnn(C)c1 ZINC000262556456 536388282 /nfs/dbraw/zinc/38/82/82/536388282.db2.gz PPOKZLPDJRUFOT-INIZCTEOSA-N 0 0 345.378 1.585 10 0 EDAERN CN1CCCc2ccc(S(=O)(=O)N[C@H]3CCCC[C@H]3CO)cc21 ZINC000245605268 536398366 /nfs/dbraw/zinc/39/83/66/536398366.db2.gz JXUIKXLOKZZPAK-HOCLYGCPSA-N 0 0 338.473 1.898 10 0 EDAERN COCCCNC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000247839157 536564256 /nfs/dbraw/zinc/56/42/56/536564256.db2.gz KHKUJOYUYNPOEL-AWEZNQCLSA-N 0 0 326.462 1.882 10 0 EDAERN CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262087214 536760935 /nfs/dbraw/zinc/76/09/35/536760935.db2.gz CANJHIGPMOGIQJ-SJORKVTESA-N 0 0 346.427 1.599 10 0 EDAERN Cn1cc([C@@H]2CN(S(=O)(=O)/C=C\c3ccccc3)CCO2)cn1 ZINC000751254305 579799314 /nfs/dbraw/zinc/79/93/14/579799314.db2.gz WVQMCCAMYSFBOE-BJIFSAINSA-N 0 0 333.413 1.794 10 0 EDAERN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000793897024 580859258 /nfs/dbraw/zinc/85/92/58/580859258.db2.gz RBDDGDIIGMDURS-HNNXBMFYSA-N 0 0 336.417 1.094 10 0 EDAERN CC(C)c1nnc(COC2CN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)o1 ZINC000888103045 591031240 /nfs/dbraw/zinc/03/12/40/591031240.db2.gz BPBWOFOGMGJKEJ-GFCCVEGCSA-N 0 0 345.403 1.764 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000102305646 594916632 /nfs/dbraw/zinc/91/66/32/594916632.db2.gz NTGSOQWSERCFOC-WOPDTQHZSA-N 0 0 330.450 1.980 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(Cn2ncc(Cl)c(Cl)c2=O)C1 ZINC000101538913 595166328 /nfs/dbraw/zinc/16/63/28/595166328.db2.gz BHOXOJAZFJTOQM-JTQLQIEISA-N 0 0 347.246 1.888 10 0 EDAERN Cn1cc([C@H]2[C@H](C(=O)OCCC(F)(F)F)CCC(=O)N2C)cn1 ZINC000115737805 595667476 /nfs/dbraw/zinc/66/74/76/595667476.db2.gz OBNCKWUAYYLUJO-PWSUYJOCSA-N 0 0 333.310 1.825 10 0 EDAERN Cc1[nH]c(=S)sc1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111081733 595668147 /nfs/dbraw/zinc/66/81/47/595668147.db2.gz HNRBDAFIICTXST-NSHDSACASA-N 0 0 338.458 1.781 10 0 EDAERN CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000113298069 595690553 /nfs/dbraw/zinc/69/05/53/595690553.db2.gz GGQMKMNOMXWJQZ-NHAQELONSA-N 0 0 331.459 1.742 10 0 EDAERN O[C@@H]1CN(c2cnccn2)C[C@H]1Oc1cnn(Cc2ccccc2)c1 ZINC000858647145 595854762 /nfs/dbraw/zinc/85/47/62/595854762.db2.gz MSLOWGBKZOCUQU-IAGOWNOFSA-N 0 0 337.383 1.350 10 0 EDAERN CC(C)N(C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CC1 ZINC000125743095 597079669 /nfs/dbraw/zinc/07/96/69/597079669.db2.gz YFFMGEQPYJGNAO-NSHDSACASA-N 0 0 335.429 1.513 10 0 EDAERN O=C(c1cc(Cl)ncc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000129313232 597775262 /nfs/dbraw/zinc/77/52/62/597775262.db2.gz HEDURZOFBVREQZ-JTQLQIEISA-N 0 0 330.215 1.935 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)OCC(C)C)CC2)n1 ZINC000181452159 699608571 /nfs/dbraw/zinc/60/85/71/699608571.db2.gz LCPIKQQRSMSNIJ-UHFFFAOYSA-N 0 0 336.436 1.505 10 0 EDAERN [NH3+][C@@]1(C(=O)[O-])CCC[C@@H](n2cc(I)cn2)C1 ZINC000086604723 707492179 /nfs/dbraw/zinc/49/21/79/707492179.db2.gz DRZDMVMLCISMAO-SCZZXKLOSA-N 0 0 335.145 1.385 10 0 EDAERN [NH3+][C@]1(C(=O)[O-])CCC[C@H](n2cc(I)cn2)C1 ZINC000086604722 707492293 /nfs/dbraw/zinc/49/22/93/707492293.db2.gz DRZDMVMLCISMAO-WCBMZHEXSA-N 0 0 335.145 1.385 10 0 EDAERN [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC000050251277 214051953 /nfs/dbraw/zinc/05/19/53/214051953.db2.gz FZTUZUCIOWJHDE-MRVPVSSYSA-N 0 0 342.193 1.960 10 0 EDAERN CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)C(C)C ZINC000050639793 214063233 /nfs/dbraw/zinc/06/32/33/214063233.db2.gz ZFSQXVOBRWSMIU-UHFFFAOYSA-N 0 0 334.463 1.551 10 0 EDAERN Nc1cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)ccc1Cl ZINC000050350904 214053793 /nfs/dbraw/zinc/05/37/93/214053793.db2.gz FEYYVRWVCZPDLM-UHFFFAOYSA-N 0 0 338.838 1.241 10 0 EDAERN NC(=S)C1(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CCCCCC1 ZINC000050603030 214060418 /nfs/dbraw/zinc/06/04/18/214060418.db2.gz USWPNPZPQXGXAT-NSHDSACASA-N 0 0 332.491 1.164 10 0 EDAERN Nc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cn1 ZINC000050635796 214061597 /nfs/dbraw/zinc/06/15/97/214061597.db2.gz CVKILUWZQOQZNH-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN Nc1ncccc1S(=O)(=O)NCc1ccc(Br)cc1 ZINC000050635800 214061895 /nfs/dbraw/zinc/06/18/95/214061895.db2.gz NKLWQJSQWHQZNA-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN COCCN(C(=O)c1cc(Br)cnc1N)[C@@H](C)COC ZINC000050710367 214066611 /nfs/dbraw/zinc/06/66/11/214066611.db2.gz LWRVBGUVPLRMKR-VIFPVBQESA-N 0 0 346.225 1.550 10 0 EDAERN CS(=O)(=O)c1ccc(NC(=O)c2nc(N)ccc2Cl)cc1 ZINC000050695901 214067105 /nfs/dbraw/zinc/06/71/05/214067105.db2.gz FJTUQKVZOPSCEF-UHFFFAOYSA-N 0 0 325.777 1.973 10 0 EDAERN CCCNc1ncc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000050712159 214067807 /nfs/dbraw/zinc/06/78/07/214067807.db2.gz LHJYQSWZJNVBGP-JTQLQIEISA-N 0 0 331.825 1.474 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N1CCN(C)CC1 ZINC000050725155 214068155 /nfs/dbraw/zinc/06/81/55/214068155.db2.gz OMGDONOZNSTLPJ-UHFFFAOYSA-N 0 0 327.226 1.664 10 0 EDAERN CCCC[C@@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050891364 214071891 /nfs/dbraw/zinc/07/18/91/214071891.db2.gz PEXFOQHSLGQPJV-SNVBAGLBSA-N 0 0 334.463 1.529 10 0 EDAERN CNC(=O)CCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000051760456 214103426 /nfs/dbraw/zinc/10/34/26/214103426.db2.gz UWUZQOANFWQTLZ-UHFFFAOYSA-N 0 0 329.125 1.254 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000051591609 214098471 /nfs/dbraw/zinc/09/84/71/214098471.db2.gz MTDBHUZMAYYMPL-QGZVFWFLSA-N 0 0 329.444 1.730 10 0 EDAERN OCc1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000052222771 214122625 /nfs/dbraw/zinc/12/26/25/214122625.db2.gz ALFQHXWBIDAUDM-UHFFFAOYSA-N 0 0 336.149 1.631 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)c2c[nH]c(=O)c(Cl)c2)CC1 ZINC000054147103 214219662 /nfs/dbraw/zinc/21/96/62/214219662.db2.gz GGRBFKZDOUINOO-UHFFFAOYSA-N 0 0 327.768 1.379 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCCO1 ZINC000055236427 214292646 /nfs/dbraw/zinc/29/26/46/214292646.db2.gz FUBZLPJQIAPNKZ-ABAIWWIYSA-N 0 0 338.429 1.807 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cn4cc(Cl)ccc4n3)CCO2)[nH]1 ZINC000173674465 231002297 /nfs/dbraw/zinc/00/22/97/231002297.db2.gz QLPXPGZNLVHMIQ-CYBMUJFWSA-N 0 0 332.795 1.988 10 0 EDAERN O=C(NCC1(c2ccc(F)cc2)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173778765 231030838 /nfs/dbraw/zinc/03/08/38/231030838.db2.gz ZSKVGTOEIKRLER-QGZVFWFLSA-N 0 0 347.434 1.973 10 0 EDAERN C[C@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1N1CCOCC1 ZINC000173836704 231047745 /nfs/dbraw/zinc/04/77/45/231047745.db2.gz QFCWCRJOQUGNRO-MAUKXSAKSA-N 0 0 327.428 1.820 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@@H]1N1CCOCC1 ZINC000173886277 231060981 /nfs/dbraw/zinc/06/09/81/231060981.db2.gz MIPMCIUCGYJWBP-HIFRSBDPSA-N 0 0 332.400 1.251 10 0 EDAERN O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](n2cncn2)C1 ZINC000174114866 231124256 /nfs/dbraw/zinc/12/42/56/231124256.db2.gz KPDWPDXQZIHKKV-CYBMUJFWSA-N 0 0 329.360 1.918 10 0 EDAERN COc1ccccc1NC(=O)CN1CCN(c2c(C)n[nH]c2C)CC1 ZINC000056937861 214396779 /nfs/dbraw/zinc/39/67/79/214396779.db2.gz PFKIJLZTUNSYKM-UHFFFAOYSA-N 0 0 343.431 1.796 10 0 EDAERN CCc1nsc(N2CCCN(Cc3nnc(CC)n3C)CC2)n1 ZINC000174514531 231227398 /nfs/dbraw/zinc/22/73/98/231227398.db2.gz NGNGVIVJVABPJI-UHFFFAOYSA-N 0 0 335.481 1.504 10 0 EDAERN Cc1nnsc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000174699746 231283397 /nfs/dbraw/zinc/28/33/97/231283397.db2.gz COICWUGRIVZXJP-MRVPVSSYSA-N 0 0 325.415 1.741 10 0 EDAERN Cc1ccccc1[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)[C@H](C)CO1 ZINC000174749417 231299199 /nfs/dbraw/zinc/29/91/99/231299199.db2.gz VQCHCSBHWFDDFS-NUJGCVRESA-N 0 0 347.459 1.797 10 0 EDAERN CC[C@@]1(C)C(=O)N[C@@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168880196 529521581 /nfs/dbraw/zinc/52/15/81/529521581.db2.gz IWCNYTDVFOZLEJ-XPTSAGLGSA-N 0 0 340.221 1.860 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3c(C)nn(C)c3C)C2=O)n(C)n1 ZINC000174975319 231358900 /nfs/dbraw/zinc/35/89/00/231358900.db2.gz LTZGFJLDXYGEHQ-ZDUSSCGKSA-N 0 0 344.419 1.004 10 0 EDAERN Cc1cc(C(=O)NC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)no1 ZINC000097957569 219064799 /nfs/dbraw/zinc/06/47/99/219064799.db2.gz ZZPDSHCTWJQPEE-NSHDSACASA-N 0 0 345.384 1.632 10 0 EDAERN CCC(CC)N1C[C@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1=O ZINC000177716176 282194461 /nfs/dbraw/zinc/19/44/61/282194461.db2.gz DXLOXSUOFDNUKT-TZMCWYRMSA-N 0 0 333.436 1.575 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)N[C@H]3COc4ccccc43)CCO2)[nH]1 ZINC000175465561 231451106 /nfs/dbraw/zinc/45/11/06/231451106.db2.gz CIMFVCNALYSDRO-GXTWGEPZSA-N 0 0 329.360 1.330 10 0 EDAERN Cc1cc(C(=O)NCc2cccc(C)c2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000049682782 214026520 /nfs/dbraw/zinc/02/65/20/214026520.db2.gz WYOJUZICMYRVPY-HNNXBMFYSA-N 0 0 347.440 1.790 10 0 EDAERN CC[C@H]1CCCCN1C(=O)c1cnn([C@H]2CCS(=O)(=O)C2)c1C ZINC000049658246 214025475 /nfs/dbraw/zinc/02/54/75/214025475.db2.gz ZEKHMVMVQANNLS-KBPBESRZSA-N 0 0 339.461 1.956 10 0 EDAERN CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)C(C(N)=O)=C(N)O1 ZINC000058949624 214611487 /nfs/dbraw/zinc/61/14/87/214611487.db2.gz HPAVNMIDABTACW-SECBINFHSA-N 0 0 342.182 1.522 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccc(C)c(OC)c2)CC1 ZINC000181824274 529698854 /nfs/dbraw/zinc/69/88/54/529698854.db2.gz SWMKHNMVSSLKLT-KRWDZBQOSA-N 0 0 349.475 1.644 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1CSCCS1 ZINC000176585332 231687466 /nfs/dbraw/zinc/68/74/66/231687466.db2.gz JYCFUWCADGGUBO-WDEREUQCSA-N 0 0 327.479 1.569 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1Cc1ccccc1F ZINC000062088995 214697648 /nfs/dbraw/zinc/69/76/48/214697648.db2.gz HTDPBIQQSWSHQP-UKRRQHHQSA-N 0 0 340.420 1.093 10 0 EDAERN CCc1nc(C[C@@H]2CCOC2)nc(N)c1I ZINC000169069323 529741733 /nfs/dbraw/zinc/74/17/33/529741733.db2.gz MJSKCIOHLJGOMT-ZETCQYMHSA-N 0 0 333.173 1.805 10 0 EDAERN CCc1nn(C)c(CN2C[C@@H](CO)OC[C@@H]2C)c1Br ZINC000167793594 529766832 /nfs/dbraw/zinc/76/68/32/529766832.db2.gz UORNITUFTQXWQK-UWVGGRQHSA-N 0 0 332.242 1.327 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000179488089 529784274 /nfs/dbraw/zinc/78/42/74/529784274.db2.gz IHZBDCBJDGBWFS-HNNXBMFYSA-N 0 0 334.416 1.702 10 0 EDAERN CN(C)c1nc(=NN)nc(Nc2ccc(F)cc2Br)[nH]1 ZINC000160781432 529803280 /nfs/dbraw/zinc/80/32/80/529803280.db2.gz DYDWINUDWRYLQB-UHFFFAOYSA-N 0 0 342.176 1.868 10 0 EDAERN CNC(=O)CCCOc1ccc(Br)cc1C(N)=S ZINC000157481519 529854723 /nfs/dbraw/zinc/85/47/23/529854723.db2.gz DYODYVVQLJZGTD-UHFFFAOYSA-N 0 0 331.235 1.988 10 0 EDAERN CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(N)cc1Br ZINC000048947009 213973102 /nfs/dbraw/zinc/97/31/02/213973102.db2.gz SDJAHJLFZBTPSE-JTQLQIEISA-N 0 0 349.250 1.831 10 0 EDAERN CNC(=O)[C@@H]1COCCN1C(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000159177239 529910884 /nfs/dbraw/zinc/91/08/84/529910884.db2.gz IMTOMJAYHOAJMO-JTQLQIEISA-N 0 0 332.187 1.163 10 0 EDAERN COC(=O)c1cn(-c2ccn[nH]2)cc2c(=O)n(-c3cccc(C)c3)nc1-2 ZINC000101439235 219127178 /nfs/dbraw/zinc/12/71/78/219127178.db2.gz SFNSXPPDYHINTB-UHFFFAOYSA-N 0 0 349.350 1.946 10 0 EDAERN C[C@@H](NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1)c1ccccc1 ZINC000065311223 214869132 /nfs/dbraw/zinc/86/91/32/214869132.db2.gz QUDDUTIMGVOZPF-CYBMUJFWSA-N 0 0 326.400 1.864 10 0 EDAERN CN(Cc1ccc(Br)c(N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000159325017 529982754 /nfs/dbraw/zinc/98/27/54/529982754.db2.gz IHSNNTFEPGHXKA-JTQLQIEISA-N 0 0 333.251 1.650 10 0 EDAERN Cc1cc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1C(N)=O ZINC000177837493 232007575 /nfs/dbraw/zinc/00/75/75/232007575.db2.gz JOEZWQFFVJDGAQ-BBRMVZONSA-N 0 0 346.431 1.278 10 0 EDAERN CC(C)S(=O)(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725271507 539402687 /nfs/dbraw/zinc/40/26/87/539402687.db2.gz GYNHYLWBMDAMCZ-CMPLNLGQSA-N 0 0 332.495 1.264 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC2(C)OCCO2)[C@@H]1c1ccccc1 ZINC000179209934 530040142 /nfs/dbraw/zinc/04/01/42/530040142.db2.gz PXOASODUEAMYCM-ZBFHGGJFSA-N 0 0 332.400 1.475 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)CCn2cccn2)c2cccs2)CCO1 ZINC000177978291 232048495 /nfs/dbraw/zinc/04/84/95/232048495.db2.gz PYAWUFXKXYIXRQ-CABCVRRESA-N 0 0 348.472 1.913 10 0 EDAERN COCC[C@H](C)NC(=O)C(=O)Nc1ccccc1Br ZINC000102093985 219185608 /nfs/dbraw/zinc/18/56/08/219185608.db2.gz AYVZNUVCEGLXGE-VIFPVBQESA-N 0 0 329.194 1.929 10 0 EDAERN CCc1c(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(N)=O)ccn1C ZINC000685942394 539581726 /nfs/dbraw/zinc/58/17/26/539581726.db2.gz OUUYIKWKBDPCIH-CQSZACIVSA-N 0 0 329.404 1.777 10 0 EDAERN O=C(Cn1ncc(=O)c2ccccc21)N(C[C@H]1CCOC1)C1CC1 ZINC000067838268 215225433 /nfs/dbraw/zinc/22/54/33/215225433.db2.gz GLQZXXSCJCXPLA-CYBMUJFWSA-N 0 0 327.384 1.424 10 0 EDAERN COC[C@@H](C)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000103379565 219295500 /nfs/dbraw/zinc/29/55/00/219295500.db2.gz KFMYHICSNSRWKH-CYBMUJFWSA-N 0 0 340.383 1.765 10 0 EDAERN C[C@@H](Nc1ncnc2ccccc21)C(=O)N1CCC(C(N)=O)CC1 ZINC000041502634 213451028 /nfs/dbraw/zinc/45/10/28/213451028.db2.gz IIGRHTLWXHSQRV-LLVKDONJSA-N 0 0 327.388 1.154 10 0 EDAERN CCOC(=O)[C@@](C)(C[C@@H](C)SCCS(C)(=O)=O)NC(C)C ZINC000068643559 215324990 /nfs/dbraw/zinc/32/49/90/215324990.db2.gz PCMAIQZSDGGMBX-TZMCWYRMSA-N 0 0 339.523 1.863 10 0 EDAERN O=S(=O)(N[C@H]1CCC[C@H](OCC(F)(F)F)C1)c1cn[nH]c1 ZINC000040830400 213391410 /nfs/dbraw/zinc/39/14/10/213391410.db2.gz XWNJNKXSOPZISE-IUCAKERBSA-N 0 0 327.328 1.578 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(N(C)C)cc1C ZINC000040824642 213389500 /nfs/dbraw/zinc/38/95/00/213389500.db2.gz SSDBCBTWXXWKQR-UHFFFAOYSA-N 0 0 327.431 1.920 10 0 EDAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCO[C@@H](C)C3)cc2C1 ZINC000040671233 213367156 /nfs/dbraw/zinc/36/71/56/213367156.db2.gz XQPOHJMNTLVYOR-LBPRGKRZSA-N 0 0 338.429 1.001 10 0 EDAERN COC(=O)[C@](Cn1cc(Br)cn1)(NC(C)C)C1CC1 ZINC000069192642 215369270 /nfs/dbraw/zinc/36/92/70/215369270.db2.gz JRRVMEOWHWGGBF-CYBMUJFWSA-N 0 0 330.226 1.965 10 0 EDAERN O=S(=O)(NCCc1csc2ncnn12)c1ccc(Cl)nc1 ZINC000040665071 213366587 /nfs/dbraw/zinc/36/65/87/213366587.db2.gz FTZRXPQIZJQSPE-UHFFFAOYSA-N 0 0 343.821 1.360 10 0 EDAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000127260214 222816418 /nfs/dbraw/zinc/81/64/18/222816418.db2.gz MCGYYRFWBUZWCQ-INIZCTEOSA-N 0 0 347.463 1.709 10 0 EDAERN CCOC(=O)c1ccc(NC(=O)CCN2C(=O)CSC2=O)cc1 ZINC000040417913 213301364 /nfs/dbraw/zinc/30/13/64/213301364.db2.gz GUTJGFRQPOVAEN-UHFFFAOYSA-N 0 0 336.369 1.887 10 0 EDAERN CC(=O)NCc1nc2ccccc2n1CC(=O)NCc1ccccc1 ZINC000040296145 213290160 /nfs/dbraw/zinc/29/01/60/213290160.db2.gz ZRJDLAODOTXUOR-UHFFFAOYSA-N 0 0 336.395 1.989 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cn(Cc2cccnc2)nn1 ZINC000183101932 234898820 /nfs/dbraw/zinc/89/88/20/234898820.db2.gz GFMUTQJXTDPGDP-CYBMUJFWSA-N 0 0 331.420 1.883 10 0 EDAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000183108081 234902206 /nfs/dbraw/zinc/90/22/06/234902206.db2.gz YHBJTNXWWANGIU-KGLIPLIRSA-N 0 0 348.447 1.684 10 0 EDAERN CCCCOCCNC(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105801719 219531882 /nfs/dbraw/zinc/53/18/82/219531882.db2.gz MDFFZACHNNLHCN-UHFFFAOYSA-N 0 0 349.479 1.230 10 0 EDAERN C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)N(C)C)cn(C)c1=O ZINC000038492001 213211270 /nfs/dbraw/zinc/21/12/70/213211270.db2.gz GZUZSVBBCXQEOA-LBPRGKRZSA-N 0 0 343.383 1.493 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000177020139 540102787 /nfs/dbraw/zinc/10/27/87/540102787.db2.gz JPQFRFLOXJOLGY-NSHDSACASA-N 0 0 339.351 1.317 10 0 EDAERN C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(Cl)s1 ZINC000183009497 540135242 /nfs/dbraw/zinc/13/52/42/540135242.db2.gz RDARIQPILAZJQI-JTQLQIEISA-N 0 0 329.853 1.791 10 0 EDAERN CCOc1cnc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000186296288 540151074 /nfs/dbraw/zinc/15/10/74/540151074.db2.gz BGPUXXDIDVKWCJ-LLVKDONJSA-N 0 0 330.392 1.335 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000189247322 540163844 /nfs/dbraw/zinc/16/38/44/540163844.db2.gz BTXNWJIWPXWJJZ-GVDBMIGSSA-N 0 0 344.411 1.232 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000190826344 540171992 /nfs/dbraw/zinc/17/19/92/540171992.db2.gz ACOLENUCWMEYRD-CYBMUJFWSA-N 0 0 337.387 1.909 10 0 EDAERN C[C@@](O)(CNC(=O)N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000184211258 235334060 /nfs/dbraw/zinc/33/40/60/235334060.db2.gz OEQPYGKYGODJGI-CZUORRHYSA-N 0 0 349.822 1.973 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3nnc(C)n3C3CC3)CC2)n1 ZINC000105868648 219569589 /nfs/dbraw/zinc/56/95/89/219569589.db2.gz PVPYTNGSCBILQG-UHFFFAOYSA-N 0 0 343.435 1.432 10 0 EDAERN COCC(=O)NC1CN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000185245652 235623689 /nfs/dbraw/zinc/62/36/89/235623689.db2.gz ODYBZHMXKLRGLX-UHFFFAOYSA-N 0 0 338.407 1.792 10 0 EDAERN Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)o1 ZINC000073437324 138217905 /nfs/dbraw/zinc/21/79/05/138217905.db2.gz VUFCLRZCZNOFGU-JTQLQIEISA-N 0 0 344.414 1.275 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000073557820 138218856 /nfs/dbraw/zinc/21/88/56/138218856.db2.gz CIKFJUFWTHCBDZ-SNVBAGLBSA-N 0 0 327.340 1.921 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)[C@@H]1CCCO1 ZINC000077707780 138254003 /nfs/dbraw/zinc/25/40/03/138254003.db2.gz ISKIXDMFRNQZOU-AAEUAGOBSA-N 0 0 336.436 1.631 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc2n[nH]c(C)c2c1 ZINC000088200059 138272058 /nfs/dbraw/zinc/27/20/58/138272058.db2.gz CHDOWBNPIDQMTR-LBPRGKRZSA-N 0 0 325.376 1.685 10 0 EDAERN Cc1nnc(CN2CCN(c3ccnc(-c4ccccc4)n3)CC2)n1C ZINC000105796496 138301730 /nfs/dbraw/zinc/30/17/30/138301730.db2.gz HXUTUXOSNVEYEU-UHFFFAOYSA-N 0 0 349.442 1.903 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1 ZINC000117812929 138312520 /nfs/dbraw/zinc/31/25/20/138312520.db2.gz OLGPBSCKARSQKY-ZDUSSCGKSA-N 0 0 348.353 1.639 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000118080182 138312590 /nfs/dbraw/zinc/31/25/90/138312590.db2.gz WRSLBEYUCANDGC-BRWVUGGUSA-N 0 0 349.479 1.475 10 0 EDAERN CN1CCO[C@H](CNC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000120240013 138315406 /nfs/dbraw/zinc/31/54/06/138315406.db2.gz FDYHLUHCECWYDG-JQHSSLGASA-N 0 0 347.459 1.784 10 0 EDAERN CN(Cc1ccc(F)cc1Cl)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000107335777 138304090 /nfs/dbraw/zinc/30/40/90/138304090.db2.gz CGZFGPUKJZRSCQ-CYBMUJFWSA-N 0 0 329.803 1.951 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000109693078 138306127 /nfs/dbraw/zinc/30/61/27/138306127.db2.gz GEJGSVUYOCJVBR-BBRMVZONSA-N 0 0 336.819 1.748 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000109843011 138306496 /nfs/dbraw/zinc/30/64/96/138306496.db2.gz JNASLVJVVIOANO-UWVGGRQHSA-N 0 0 331.356 1.980 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1)C(C)C ZINC000110762757 138307318 /nfs/dbraw/zinc/30/73/18/138307318.db2.gz PPLMWGUTCBMUND-TZMCWYRMSA-N 0 0 349.435 1.700 10 0 EDAERN O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CCc2ncnn2C1 ZINC000112653326 138309518 /nfs/dbraw/zinc/30/95/18/138309518.db2.gz ZCUHJMJQTBMBCE-NSHDSACASA-N 0 0 344.400 1.453 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1nc(C(C)C)no1)CC2 ZINC000114872602 138310793 /nfs/dbraw/zinc/31/07/93/138310793.db2.gz BMJGRAIYMUNKJI-NSHDSACASA-N 0 0 332.408 1.411 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(Cc1cccnc1)C1CC1)CC2 ZINC000114976364 138310906 /nfs/dbraw/zinc/31/09/06/138310906.db2.gz ICVLPTHKWRQTEF-AWEZNQCLSA-N 0 0 340.431 1.925 10 0 EDAERN O=C(CN1CCC[C@H]1c1ccco1)N1CCN(C(=O)C2CC2)CC1 ZINC000116287751 138311750 /nfs/dbraw/zinc/31/17/50/138311750.db2.gz HJGDXAIHJHYECM-HNNXBMFYSA-N 0 0 331.416 1.497 10 0 EDAERN CCOCCN1CCN(C(=O)C[C@@H]2c3ccccc3NC2=O)C[C@@H]1C ZINC000117275749 138312190 /nfs/dbraw/zinc/31/21/90/138312190.db2.gz HCYHDINWBOTRKR-GOEBONIOSA-N 0 0 345.443 1.682 10 0 EDAERN COCCn1cc(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)cn1 ZINC000124587872 138328106 /nfs/dbraw/zinc/32/81/06/138328106.db2.gz PCYLMBJHYYQKLI-MRXNPFEDSA-N 0 0 342.399 1.662 10 0 EDAERN CC(C)Oc1cncc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000124869455 138330311 /nfs/dbraw/zinc/33/03/11/138330311.db2.gz KOZHWBDXJLVDIO-INIZCTEOSA-N 0 0 330.388 1.607 10 0 EDAERN Cc1ccc([C@H](CNC(=O)Nc2ccnn2C)N2CCOCC2)s1 ZINC000124945928 138330830 /nfs/dbraw/zinc/33/08/30/138330830.db2.gz JGPHOMMHQJNKTP-ZDUSSCGKSA-N 0 0 349.460 1.985 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C1CCOCC1 ZINC000124152134 138324296 /nfs/dbraw/zinc/32/42/96/138324296.db2.gz NDBPWVLYUQXHSC-GXTWGEPZSA-N 0 0 332.466 1.122 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000130417815 138341304 /nfs/dbraw/zinc/34/13/04/138341304.db2.gz JDJCDHUGLNLWIM-PKOBYXMFSA-N 0 0 345.487 1.878 10 0 EDAERN COc1ccc(Br)cc1[C@@H](C(=O)[O-])N1CC[NH2+]CC1 ZINC000037963555 213176162 /nfs/dbraw/zinc/17/61/62/213176162.db2.gz PKMPYVRWGXTCDI-LBPRGKRZSA-N 0 0 329.194 1.489 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(-n3ncc4c3nc[nH]c4=O)cc2)O1 ZINC000130832007 138348436 /nfs/dbraw/zinc/34/84/36/138348436.db2.gz CDVJGGAFGVQALH-YGRLFVJLSA-N 0 0 339.355 1.615 10 0 EDAERN Cc1nccn1CCCCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000131245548 138354971 /nfs/dbraw/zinc/35/49/71/138354971.db2.gz PPNNCYOCMRHKRA-CYBMUJFWSA-N 0 0 345.451 1.960 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000131257184 138355966 /nfs/dbraw/zinc/35/59/66/138355966.db2.gz MCNFXSSSRYBBAL-DYVFJYSZSA-N 0 0 325.453 1.485 10 0 EDAERN O=S(=O)(N[C@@H]1CCOc2ccccc21)c1cnn(CC(F)F)c1 ZINC000186255092 235858421 /nfs/dbraw/zinc/85/84/21/235858421.db2.gz OLMQBGJLLGPXGY-GFCCVEGCSA-N 0 0 343.355 1.950 10 0 EDAERN CCS(=O)(=O)NCCCN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000132048490 138370728 /nfs/dbraw/zinc/37/07/28/138370728.db2.gz YOSUGSUZVGNPRC-GFCCVEGCSA-N 0 0 333.479 1.154 10 0 EDAERN C[C@@H](NC(=O)COCCOc1ccccc1)c1nnc2n1CCCC2 ZINC000135426727 138424417 /nfs/dbraw/zinc/42/44/17/138424417.db2.gz GQJSQLNHBQHOCS-CQSZACIVSA-N 0 0 344.415 1.887 10 0 EDAERN CN1c2ccccc2[C@]2(CCN(S(=O)(=O)c3ccccc3)C2)C1=O ZINC000065249196 283267269 /nfs/dbraw/zinc/26/72/69/283267269.db2.gz GQLISDQUZVBHMU-GOSISDBHSA-N 0 0 342.420 1.995 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2C(N)=S)C[C@H](C)O1 ZINC000070395039 215689495 /nfs/dbraw/zinc/68/94/95/215689495.db2.gz FNRKMTXIEZOJIX-IUCAKERBSA-N 0 0 332.422 1.258 10 0 EDAERN NC(=O)c1cc(N)ccc1-n1cc(I)cn1 ZINC000070678267 215704455 /nfs/dbraw/zinc/70/44/55/215704455.db2.gz XELMCUNHYVGHHZ-UHFFFAOYSA-N 0 0 328.113 1.158 10 0 EDAERN Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)c1 ZINC000036106898 213068654 /nfs/dbraw/zinc/06/86/54/213068654.db2.gz AVAGVHIOPVEVMM-KRWDZBQOSA-N 0 0 331.460 1.914 10 0 EDAERN CCCCS(=O)(=O)NC[C@@H](c1cccnc1)N1CCOCC1 ZINC000036096926 213063522 /nfs/dbraw/zinc/06/35/22/213063522.db2.gz ZOQRXNSPWBPOGC-HNNXBMFYSA-N 0 0 327.450 1.174 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188013487 236382226 /nfs/dbraw/zinc/38/22/26/236382226.db2.gz WIEACAXHRAHHNZ-UHFFFAOYSA-N 0 0 349.818 1.714 10 0 EDAERN COCCc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n(C)n1 ZINC000128366688 138620595 /nfs/dbraw/zinc/62/05/95/138620595.db2.gz JYSCOEPWNPXHHP-GUYCJALGSA-N 0 0 336.436 1.768 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](CO)CC(C)(C)C)CC2 ZINC000129468480 138626330 /nfs/dbraw/zinc/62/63/30/138626330.db2.gz ZVZGPSKEYUFIMM-STQMWFEESA-N 0 0 337.468 1.813 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](CO)Cc1ccccc1)CC2 ZINC000172040437 138662709 /nfs/dbraw/zinc/66/27/09/138662709.db2.gz NCEINYCKKVLLEV-HUUCEWRRSA-N 0 0 343.431 1.058 10 0 EDAERN O=C(Cc1ccccc1OC(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000172748995 138666946 /nfs/dbraw/zinc/66/69/46/138666946.db2.gz MWNPWEGXJNJAJQ-AWEZNQCLSA-N 0 0 340.370 1.764 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000178587828 138742997 /nfs/dbraw/zinc/74/29/97/138742997.db2.gz UKIZXXRBAWVFLF-GXFFZTMASA-N 0 0 339.823 1.345 10 0 EDAERN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178691088 138744405 /nfs/dbraw/zinc/74/44/05/138744405.db2.gz XGBWTZXSCHNMIQ-OAHLLOKOSA-N 0 0 344.415 1.771 10 0 EDAERN CCOc1ccc([C@H](CNS(=O)(=O)CCOC)N(C)C)cc1 ZINC000036192542 213075285 /nfs/dbraw/zinc/07/52/85/213075285.db2.gz CJUGMBIGIDMBKL-HNNXBMFYSA-N 0 0 330.450 1.254 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3ncccc3OC(C)C)CCO2)c1 ZINC000176050043 237327723 /nfs/dbraw/zinc/32/77/23/237327723.db2.gz KMQALASGANACBA-OAHLLOKOSA-N 0 0 344.415 1.915 10 0 EDAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000182015868 138773351 /nfs/dbraw/zinc/77/33/51/138773351.db2.gz DEKNXBOOKNETCJ-LBPRGKRZSA-N 0 0 331.420 1.310 10 0 EDAERN O=S(=O)(NCc1ccccc1F)c1cnn(-c2ccccn2)c1 ZINC000072238932 216077487 /nfs/dbraw/zinc/07/74/87/216077487.db2.gz JRPDNRJCQQNEGV-UHFFFAOYSA-N 0 0 332.360 1.885 10 0 EDAERN CN(CCO)S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000037898719 213172376 /nfs/dbraw/zinc/17/23/76/213172376.db2.gz PNTRKBZXAXWNPE-UHFFFAOYSA-N 0 0 330.150 1.340 10 0 EDAERN O=c1c2nnc3ccnn3c2ccn1Cc1ccc2c(c1)OCCCO2 ZINC000072459868 216244386 /nfs/dbraw/zinc/24/43/86/216244386.db2.gz AZUYSMVDFKKNBI-UHFFFAOYSA-N 0 0 349.350 1.649 10 0 EDAERN COc1ccccc1NC(=O)c1cnc(N2CCN(C)CC2)nc1C ZINC000072464952 216246243 /nfs/dbraw/zinc/24/62/43/216246243.db2.gz ADVQNPPEOCSTDU-UHFFFAOYSA-N 0 0 341.415 1.798 10 0 EDAERN O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1CCCn2ncnc21 ZINC000129880774 223100989 /nfs/dbraw/zinc/10/09/89/223100989.db2.gz OLSCHNCSDZTTJA-LBPRGKRZSA-N 0 0 346.460 1.990 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N(C)c1nc2ccccc2s1 ZINC000072558473 216274773 /nfs/dbraw/zinc/27/47/73/216274773.db2.gz UVMQZFIHIJWAHX-CYBMUJFWSA-N 0 0 346.456 1.812 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)CCCC(=O)OC)CC2)n1 ZINC000131188572 223211734 /nfs/dbraw/zinc/21/17/34/223211734.db2.gz XXDWXRBRSVAVSS-LBPRGKRZSA-N 0 0 338.408 1.181 10 0 EDAERN CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cnc(Cl)s1 ZINC000038106152 213202403 /nfs/dbraw/zinc/20/24/03/213202403.db2.gz YRWQDCHQZTZFBC-ZETCQYMHSA-N 0 0 325.843 1.236 10 0 EDAERN COCC(=O)NC1CN(C(=O)/C=C/c2ccc3ccccc3n2)C1 ZINC000189175386 138863304 /nfs/dbraw/zinc/86/33/04/138863304.db2.gz WWMXFVCQEIAOBO-CMDGGOBGSA-N 0 0 325.368 1.221 10 0 EDAERN CCc1nc2c(s1)c(C)nn(CC(=O)N1CCC[C@H](C)C1)c2=O ZINC000075551714 216635536 /nfs/dbraw/zinc/63/55/36/216635536.db2.gz YWXYGWZTMNTIQW-JTQLQIEISA-N 0 0 334.445 1.982 10 0 EDAERN O=C(c1ccccc1)N(c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000227119517 242121284 /nfs/dbraw/zinc/12/12/84/242121284.db2.gz JWNTZENTZYDYCA-HZPDHXFCSA-N 0 0 331.393 1.491 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3OCCc4ccccc43)CCO2)c1 ZINC000133124596 223390004 /nfs/dbraw/zinc/39/00/04/223390004.db2.gz LTVQJQDPJRHIIX-SJLPKXTDSA-N 0 0 341.411 1.733 10 0 EDAERN CCCOc1cccc(CCNC(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000191502324 138916025 /nfs/dbraw/zinc/91/60/25/138916025.db2.gz CDYXMBKLCFHGHW-AWEZNQCLSA-N 0 0 333.432 1.938 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191718304 138921995 /nfs/dbraw/zinc/92/19/95/138921995.db2.gz IEIIPTHTJMZHRU-KBPBESRZSA-N 0 0 337.424 1.030 10 0 EDAERN c1cc2n(n1)[C@H](COCC1CCOCC1)CN(c1ncccn1)C2 ZINC000253596043 244029365 /nfs/dbraw/zinc/02/93/65/244029365.db2.gz MOBCJNSHTLFXJQ-INIZCTEOSA-N 0 0 329.404 1.678 10 0 EDAERN CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000020354143 212121631 /nfs/dbraw/zinc/12/16/31/212121631.db2.gz TXZVFPYBIYYNEP-OAHLLOKOSA-N 0 0 343.427 1.414 10 0 EDAERN CNC(=O)NC(=O)[C@@H](C)Nc1ccccc1I ZINC000020300904 212118005 /nfs/dbraw/zinc/11/80/05/212118005.db2.gz BGLLGBLPZLUAGD-SSDOTTSWSA-N 0 0 347.156 1.547 10 0 EDAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000077138970 216844867 /nfs/dbraw/zinc/84/48/67/216844867.db2.gz XAOOWKONHVOMOG-AOOOYVTPSA-N 0 0 332.404 1.057 10 0 EDAERN C[C@H](CC(=O)N1CCC(c2ccnn2C)CC1)N1CCCCC1=O ZINC000192219653 138939792 /nfs/dbraw/zinc/93/97/92/138939792.db2.gz RESBMEIPDVWXHS-CQSZACIVSA-N 0 0 332.448 1.917 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000193136222 138961975 /nfs/dbraw/zinc/96/19/75/138961975.db2.gz DISAPGYPPIGSFZ-IUODEOHRSA-N 0 0 338.835 1.716 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2)C1 ZINC000193578749 138972734 /nfs/dbraw/zinc/97/27/34/138972734.db2.gz TZXUSLIIRLNHQV-IRXDYDNUSA-N 0 0 343.427 1.418 10 0 EDAERN COc1ccc(CC(C)(C)NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000194085025 138985359 /nfs/dbraw/zinc/98/53/59/138985359.db2.gz BAOUCJHAECDHKU-GDBMZVCRSA-N 0 0 334.416 1.114 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000194647338 138997639 /nfs/dbraw/zinc/99/76/39/138997639.db2.gz UCCKQYZRXBDZIF-UONOGXRCSA-N 0 0 339.823 1.948 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1ccc(Cl)cc1 ZINC000194759387 139000049 /nfs/dbraw/zinc/00/00/49/139000049.db2.gz ZFUPCFPMWWXALI-ZDUSSCGKSA-N 0 0 349.774 1.801 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195014477 139004749 /nfs/dbraw/zinc/00/47/49/139004749.db2.gz DELWFKCDNLYLAX-HUUCEWRRSA-N 0 0 325.368 1.516 10 0 EDAERN O=C(CCS(=O)(=O)C1CCCC1)N1CCN2CCCC[C@H]2C1 ZINC000195055079 139005905 /nfs/dbraw/zinc/00/59/05/139005905.db2.gz DBDFSPWMNTTZNR-AWEZNQCLSA-N 0 0 328.478 1.431 10 0 EDAERN O=C(Nc1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1)c1cccnc1 ZINC000195291038 139012714 /nfs/dbraw/zinc/01/27/14/139012714.db2.gz NMWQVOXPPWFZHL-CQSZACIVSA-N 0 0 338.367 1.086 10 0 EDAERN COc1ccc(CN2CCN(C(=O)N3CCOCC3)CC2)cc1C ZINC000049719092 214029248 /nfs/dbraw/zinc/02/92/48/214029248.db2.gz NAWFDJFULYLWBZ-UHFFFAOYSA-N 0 0 333.432 1.573 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000135281396 223565158 /nfs/dbraw/zinc/56/51/58/223565158.db2.gz GNIJUMYQFWEKCV-HNNXBMFYSA-N 0 0 339.399 1.509 10 0 EDAERN CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000191657140 284322630 /nfs/dbraw/zinc/32/26/30/284322630.db2.gz JXUHBJKFMVTBMK-SGIREYDYSA-N 0 0 349.406 1.328 10 0 EDAERN CCn1c2ccccc2nc1[C@@H](C)NCc1cn(C)c(=O)n(C)c1=O ZINC000237221172 139044767 /nfs/dbraw/zinc/04/47/67/139044767.db2.gz ZWBMJGAELYUOHF-GFCCVEGCSA-N 0 0 341.415 1.304 10 0 EDAERN O=C(c1cnn(-c2ccccc2)n1)N1CCO[C@@H](c2nccs2)C1 ZINC000110879044 220073928 /nfs/dbraw/zinc/07/39/28/220073928.db2.gz KPUSWLFFQWVSTG-CQSZACIVSA-N 0 0 341.396 1.938 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3CC3(Cl)Cl)CCO2)n1 ZINC000110904956 220077872 /nfs/dbraw/zinc/07/78/72/220077872.db2.gz KSQLZPWJSUJHIJ-NEPJUHHUSA-N 0 0 332.231 1.921 10 0 EDAERN CCOc1ccc(OCC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111086026 220098635 /nfs/dbraw/zinc/09/86/35/220098635.db2.gz XAGJNWIMHYUYAC-KRWDZBQOSA-N 0 0 345.399 1.588 10 0 EDAERN CCSc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)ccn1 ZINC000111086663 220098710 /nfs/dbraw/zinc/09/87/10/220098710.db2.gz RQBKGSWUNHZPFH-CQSZACIVSA-N 0 0 332.429 1.931 10 0 EDAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1C[C@H]1C ZINC000111599338 220168395 /nfs/dbraw/zinc/16/83/95/220168395.db2.gz QNVDVFNDLFQIRP-BXKDBHETSA-N 0 0 339.351 1.719 10 0 EDAERN O=C(NCc1nccn1C(F)F)N1CCO[C@H](Cn2cccn2)C1 ZINC000111850166 220207128 /nfs/dbraw/zinc/20/71/28/220207128.db2.gz LOKTYHWFKTXGAF-NSHDSACASA-N 0 0 340.334 1.085 10 0 EDAERN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081584568 217422893 /nfs/dbraw/zinc/42/28/93/217422893.db2.gz DOMLSEJBAPQLRK-VXGBXAGGSA-N 0 0 337.449 1.239 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)OCC(F)(F)F ZINC000081589319 217424198 /nfs/dbraw/zinc/42/41/98/217424198.db2.gz YPCFOIQEAPAAJY-SECBINFHSA-N 0 0 349.313 1.216 10 0 EDAERN COC[C@H](O)CCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000245765553 139085482 /nfs/dbraw/zinc/08/54/82/139085482.db2.gz QZVLDUPEFSKIQX-HLLBOEOZSA-N 0 0 334.416 1.110 10 0 EDAERN C[C@H](CCc1cccn1C)NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246159848 139097099 /nfs/dbraw/zinc/09/70/99/139097099.db2.gz QIGLYWNNSUQCSB-JZXOWHBKSA-N 0 0 348.491 1.708 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H]2CN(C)CCO2)C12CCCCC2 ZINC000246609074 139114952 /nfs/dbraw/zinc/11/49/52/139114952.db2.gz KZIIUJQRGUVZRX-ARFHVFGLSA-N 0 0 339.480 1.744 10 0 EDAERN COc1ccc(SCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246642394 139116040 /nfs/dbraw/zinc/11/60/40/139116040.db2.gz FUJUMLMGHGVPFC-KGLIPLIRSA-N 0 0 338.473 1.701 10 0 EDAERN CCN(C(=O)N[C@@H]1CCCN(CC)C1)[C@H](C)CS(=O)(=O)CC ZINC000246791507 139121858 /nfs/dbraw/zinc/12/18/58/139121858.db2.gz BMUVQWFDRFDSCG-ZIAGYGMSSA-N 0 0 333.498 1.325 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cc(F)ccc2F)C[C@H]1C ZINC000247082530 139135146 /nfs/dbraw/zinc/13/51/46/139135146.db2.gz LMARHCSZIBKDRV-GFCCVEGCSA-N 0 0 348.415 1.696 10 0 EDAERN Cc1cc(C)cc(OC[C@H](O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000247134599 139137240 /nfs/dbraw/zinc/13/72/40/139137240.db2.gz KOYNRBBGTPIDIC-FGTMMUONSA-N 0 0 336.476 1.430 10 0 EDAERN Cc1csc([C@H]2CN([C@H]3CCN(CC(F)(F)F)C3=O)CCO2)n1 ZINC000247733753 139154522 /nfs/dbraw/zinc/15/45/22/139154522.db2.gz VGOSAWKGUMTJHI-WDEREUQCSA-N 0 0 349.378 1.988 10 0 EDAERN CC(C)CNC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl ZINC000012004795 211279468 /nfs/dbraw/zinc/27/94/68/211279468.db2.gz YCZZNKMTSLIESD-UHFFFAOYSA-N 0 0 344.820 1.792 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000248653299 139170316 /nfs/dbraw/zinc/17/03/16/139170316.db2.gz YSQBMGLPLWRWQH-NVXWUHKLSA-N 0 0 347.459 1.308 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCCCc1nc2ccccc2s1 ZINC000091784268 218065835 /nfs/dbraw/zinc/06/58/35/218065835.db2.gz KZRIZDFOZXKESZ-CYBMUJFWSA-N 0 0 347.440 1.722 10 0 EDAERN CCn1cc([C@@H]2CN([C@H]3CCN(CC(F)(F)F)C3=O)CCO2)cn1 ZINC000248714621 139172898 /nfs/dbraw/zinc/17/28/98/139172898.db2.gz JXRQWPMTMQMBPH-STQMWFEESA-N 0 0 346.353 1.440 10 0 EDAERN CCNC(=O)NC(=O)[C@@H](C)Oc1ccc(Br)cc1C=O ZINC000010646232 211184144 /nfs/dbraw/zinc/18/41/44/211184144.db2.gz OHFXXKUDUGPNNQ-MRVPVSSYSA-N 0 0 343.177 1.875 10 0 EDAERN COC[C@@H]1CN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C[C@@H](C)O1 ZINC000249141758 139187392 /nfs/dbraw/zinc/18/73/92/139187392.db2.gz FRFZDSVZYNSDGA-YCPHGPKFSA-N 0 0 328.453 1.436 10 0 EDAERN C[C@H](C(=O)Nc1ccccc1Br)N1C[C@@H](O)C[C@@H]1CO ZINC000249371618 139191845 /nfs/dbraw/zinc/19/18/45/139191845.db2.gz WUZSUXWKXMSGLS-MXWKQRLJSA-N 0 0 343.221 1.204 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC[C@H]1CCO)CC2 ZINC000249397843 139192698 /nfs/dbraw/zinc/19/26/98/139192698.db2.gz AYMFTZACKMGBOV-BFHYXJOUSA-N 0 0 335.452 1.567 10 0 EDAERN Cc1ccnc(S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090370 218279871 /nfs/dbraw/zinc/27/98/71/218279871.db2.gz SCYQEWPXEUYYBT-LBPRGKRZSA-N 0 0 341.433 1.958 10 0 EDAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCCN(c3cccnn3)CC2)[C@H]1C ZINC000252321854 139204177 /nfs/dbraw/zinc/20/41/77/139204177.db2.gz ZEIDOKXHHUDDRE-IKGGRYGDSA-N 0 0 345.491 1.930 10 0 EDAERN CCc1cnc(N2CC[C@@H]3[C@@H](CO[C@H]3CNc3ncccn3)C2)nc1 ZINC000096185375 218649464 /nfs/dbraw/zinc/64/94/64/218649464.db2.gz DUHNXAXLLMKMTQ-OAGGEKHMSA-N 0 0 340.431 1.782 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)[C@H]3CCC(=O)C[C@H]3C)CC2)n1 ZINC000152997261 224043339 /nfs/dbraw/zinc/04/33/39/224043339.db2.gz NSFASZCDJYIWLN-HIFRSBDPSA-N 0 0 346.431 1.529 10 0 EDAERN COC1(CNC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CCC1 ZINC000181804090 532997408 /nfs/dbraw/zinc/99/74/08/532997408.db2.gz GDEJVRSZYITRDP-QGZVFWFLSA-N 0 0 347.459 1.616 10 0 EDAERN COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@]1(C)CCCS1 ZINC000164926621 533078415 /nfs/dbraw/zinc/07/84/15/533078415.db2.gz XZRHBICMUSZVPC-CYBMUJFWSA-N 0 0 330.431 1.567 10 0 EDAERN C[C@@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1nnc2n1CCCC2 ZINC000153495198 224112358 /nfs/dbraw/zinc/11/23/58/224112358.db2.gz AODSBFOEAUKQAC-NOZJJQNGSA-N 0 0 347.341 1.384 10 0 EDAERN CC(C)NC(=O)Cn1c2ccccc2nc1SCC(=O)NC1CC1 ZINC000004859285 210304026 /nfs/dbraw/zinc/30/40/26/210304026.db2.gz OWCHOPSURQSDQC-UHFFFAOYSA-N 0 0 346.456 1.932 10 0 EDAERN O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCc2ncnn2C1 ZINC000112659063 220366583 /nfs/dbraw/zinc/36/65/83/220366583.db2.gz ZEIUJLOSBNQRQB-MRXNPFEDSA-N 0 0 338.411 1.861 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112658533 220366932 /nfs/dbraw/zinc/36/69/32/220366932.db2.gz QKUYFKRKJYKOHW-AWEZNQCLSA-N 0 0 336.399 1.825 10 0 EDAERN O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CCc2ncnn2C1 ZINC000112658042 220367121 /nfs/dbraw/zinc/36/71/21/220367121.db2.gz SHXYHEZEKFSGDQ-AWEZNQCLSA-N 0 0 337.383 1.997 10 0 EDAERN COc1cccc(CO[C@H](C)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112662548 220367884 /nfs/dbraw/zinc/36/78/84/220367884.db2.gz SOKNHTGCNPGALL-OCCSQVGLSA-N 0 0 330.388 1.323 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000112725296 220387146 /nfs/dbraw/zinc/38/71/46/220387146.db2.gz RVDJVLHOTIERQX-SECBINFHSA-N 0 0 337.177 1.491 10 0 EDAERN O=C1N[C@H](c2ccc(Cl)cc2Br)N2CCOC[C@H]12 ZINC000093884939 296395160 /nfs/dbraw/zinc/39/51/60/296395160.db2.gz PBRGEUNMNXFNBL-MNOVXSKESA-N 0 0 331.597 1.932 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000114836988 220762395 /nfs/dbraw/zinc/76/23/95/220762395.db2.gz BUTDVTXFNAZRPH-LSDHHAIUSA-N 0 0 347.463 1.893 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1nnc(C(F)F)s1)CC2 ZINC000114904508 220775078 /nfs/dbraw/zinc/77/50/78/220775078.db2.gz UFWWRGSBLAXEOF-ZCFIWIBFSA-N 0 0 343.363 1.766 10 0 EDAERN COc1ncc(C)cc1NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000174975936 533205034 /nfs/dbraw/zinc/20/50/34/533205034.db2.gz FXNLNSTUYAJBSG-AWEZNQCLSA-N 0 0 345.403 1.836 10 0 EDAERN COc1ccc(OC)c(CC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116121128 220932049 /nfs/dbraw/zinc/93/20/49/220932049.db2.gz FHLFQTNQGXCWMK-ZDUSSCGKSA-N 0 0 329.400 1.996 10 0 EDAERN COCCCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117032604 221025084 /nfs/dbraw/zinc/02/50/84/221025084.db2.gz NQGPFZTXWQLUML-QGZVFWFLSA-N 0 0 335.448 1.474 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000117526449 221074590 /nfs/dbraw/zinc/07/45/90/221074590.db2.gz BDUACGNPIVERAD-INIZCTEOSA-N 0 0 347.459 1.757 10 0 EDAERN CC(C)CCNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117468688 221067463 /nfs/dbraw/zinc/06/74/63/221067463.db2.gz VSSYJNWLNXAILK-KRWDZBQOSA-N 0 0 349.475 1.800 10 0 EDAERN Cc1cnn(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000117815679 221092743 /nfs/dbraw/zinc/09/27/43/221092743.db2.gz KQYNPDCJRCIECJ-UHFFFAOYSA-N 0 0 343.383 1.742 10 0 EDAERN CCOc1cc(F)ccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000118133222 221127844 /nfs/dbraw/zinc/12/78/44/221127844.db2.gz FCDWUWWVXVIQHP-UHFFFAOYSA-N 0 0 334.351 1.484 10 0 EDAERN C[C@H](NC(=O)c1ccc(Cl)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000118168443 221129017 /nfs/dbraw/zinc/12/90/17/221129017.db2.gz KEKIHLRMETYAGT-VIFPVBQESA-N 0 0 339.804 1.873 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000118078948 221112867 /nfs/dbraw/zinc/11/28/67/221112867.db2.gz KHXSODFHBOXMKK-MRXNPFEDSA-N 0 0 338.358 1.677 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)C[C@@H](O)COCc2ccccc2)c1 ZINC000118078400 221112981 /nfs/dbraw/zinc/11/29/81/221112981.db2.gz MQDNBGKMZGTXTR-QGZVFWFLSA-N 0 0 346.431 1.411 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCc1noc(C)n1)C(C)C ZINC000118648635 221164528 /nfs/dbraw/zinc/16/45/28/221164528.db2.gz VFNVYCGKZALIAA-OAHLLOKOSA-N 0 0 346.387 1.457 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(-c4nc[nH]n4)c3)CCO2)[nH]1 ZINC000154541738 224268280 /nfs/dbraw/zinc/26/82/80/224268280.db2.gz IAEXCUIIEVNPLD-CYBMUJFWSA-N 0 0 339.359 1.112 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(C)n2)C12CCCC2 ZINC000119077217 221238851 /nfs/dbraw/zinc/23/88/51/221238851.db2.gz LHYBGUQWJFPVHG-OLZOCXBDSA-N 0 0 334.420 1.555 10 0 EDAERN O=C(NCCCOC1CCOCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119132414 221251084 /nfs/dbraw/zinc/25/10/84/221251084.db2.gz FBDMAYPMMPDXIT-YJBOKZPZSA-N 0 0 340.464 1.909 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2nocc2C)C1 ZINC000119137994 221251751 /nfs/dbraw/zinc/25/17/51/221251751.db2.gz CMTWMRAIEFKTPG-LBPRGKRZSA-N 0 0 331.376 1.544 10 0 EDAERN O=C(NCCc1ccc(Cl)nc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000119239258 221274365 /nfs/dbraw/zinc/27/43/65/221274365.db2.gz OVSSHXMGBTZBIB-CQSZACIVSA-N 0 0 349.822 1.585 10 0 EDAERN COc1cc(CN2CCC[C@@H](n3cncn3)C2)cc2c1OCCO2 ZINC000119497347 221334465 /nfs/dbraw/zinc/33/44/65/221334465.db2.gz KWAUCSZEMYRKPN-CQSZACIVSA-N 0 0 330.388 1.895 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](OC)C(C)(C)C ZINC000119510242 221336427 /nfs/dbraw/zinc/33/64/27/221336427.db2.gz WAOLSUXMEOUNTN-NWDGAFQWSA-N 0 0 339.440 1.620 10 0 EDAERN CC(C)NC(=O)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000119464629 221326179 /nfs/dbraw/zinc/32/61/79/221326179.db2.gz MVTTXYUHYRHBDQ-CQSZACIVSA-N 0 0 327.388 1.681 10 0 EDAERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000108732725 291949264 /nfs/dbraw/zinc/94/92/64/291949264.db2.gz CKSZAMJKQVWYGP-MNOVXSKESA-N 0 0 329.360 1.533 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(C)=O)cc1 ZINC000155122257 224362312 /nfs/dbraw/zinc/36/23/12/224362312.db2.gz VEMVRYDZUZDYPQ-CQSZACIVSA-N 0 0 328.372 1.892 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCNC(=O)C(C)C)CC2)cn1 ZINC000155387265 224409642 /nfs/dbraw/zinc/40/96/42/224409642.db2.gz GWELULZBJSNYMY-UHFFFAOYSA-N 0 0 335.452 1.564 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccnnc2)C[C@]12CCN(c1cccnc1)C2=O ZINC000249693082 257661245 /nfs/dbraw/zinc/66/12/45/257661245.db2.gz NNPRTACPXDOJIO-FZKQIMNGSA-N 0 0 337.383 1.387 10 0 EDAERN CNC(=O)C[C@H]1CN(C(=O)c2cc(C)nc(C)c2)Cc2ccnn21 ZINC000247941623 257673496 /nfs/dbraw/zinc/67/34/96/257673496.db2.gz ISBCSWUFAGPBJJ-HNNXBMFYSA-N 0 0 327.388 1.228 10 0 EDAERN O=C(C[C@@]12COC[C@@H]1CN(c1ncccn1)C2)NCc1ccccn1 ZINC000247839318 257677576 /nfs/dbraw/zinc/67/75/76/257677576.db2.gz DZEKHMCYFZTIOE-KBXCAEBGSA-N 0 0 339.399 1.031 10 0 EDAERN COC(=O)[C@H](O)CNC(=O)c1ccc(Br)cc1Cl ZINC000154338141 533362973 /nfs/dbraw/zinc/36/29/73/533362973.db2.gz XKXWKVLKJVSJKI-SECBINFHSA-N 0 0 336.569 1.366 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(Br)c(N)c1)[C@H]1CCOC1 ZINC000165938051 533481481 /nfs/dbraw/zinc/48/14/81/533481481.db2.gz QBTSEAUJXWADPO-BDAKNGLRSA-N 0 0 349.250 1.735 10 0 EDAERN COc1ccc(CN2CCN(C(=O)C[C@H](O)C(C)C)CC2)cc1F ZINC000154418810 533559855 /nfs/dbraw/zinc/55/98/55/533559855.db2.gz RAFSJVLUSNVHDK-INIZCTEOSA-N 0 0 338.423 1.886 10 0 EDAERN C[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1)c1nnc2n1CCCC2 ZINC000153558937 533650288 /nfs/dbraw/zinc/65/02/88/533650288.db2.gz IMLDYZUWPYMTFV-SCLBCKFNSA-N 0 0 343.431 1.882 10 0 EDAERN O=C(Nc1ccccc1N1CCNC(=O)C1)c1ccc2c(c1)OCO2 ZINC000049412873 132430391 /nfs/dbraw/zinc/43/03/91/132430391.db2.gz FMNRNJDTQDYAND-UHFFFAOYSA-N 0 0 339.351 1.604 10 0 EDAERN CC(=O)N1CCN(c2ccc(NC(=O)NC3CCOCC3)cc2)CC1 ZINC000062211801 132435414 /nfs/dbraw/zinc/43/54/14/132435414.db2.gz DLPYDWCCMHRXNG-UHFFFAOYSA-N 0 0 346.431 1.656 10 0 EDAERN C[C@H](CS(=O)(=O)N1CCOC[C@H]1[C@H]1CCCO1)c1ccccc1 ZINC000329036084 140691884 /nfs/dbraw/zinc/69/18/84/140691884.db2.gz CHIWIGPFTGXTQX-HYVNUMGLSA-N 0 0 339.457 2.000 10 0 EDAERN Cc1oc2nc(CN3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)nc(N)c2c1C ZINC000329165022 140698213 /nfs/dbraw/zinc/69/82/13/140698213.db2.gz HGMGKZYABAGPDH-WDEREUQCSA-N 0 0 336.417 1.041 10 0 EDAERN O=C(c1cccc(C(=O)N2CC[C@@]3(CCOC3)C2)n1)N1CCCC1 ZINC000329807498 140766092 /nfs/dbraw/zinc/76/60/92/140766092.db2.gz LQMNKSRKBKSWAA-GOSISDBHSA-N 0 0 329.400 1.570 10 0 EDAERN O=S(=O)(CCNc1cnc2c(n1)CCCC2)N1CCSCC1 ZINC000333494811 141326341 /nfs/dbraw/zinc/32/63/41/141326341.db2.gz HCUXLNQISCVVEK-UHFFFAOYSA-N 0 0 342.490 1.146 10 0 EDAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CCc3cccnc32)C1 ZINC000333511329 141329371 /nfs/dbraw/zinc/32/93/71/141329371.db2.gz UKIXCAOXKXLOAU-CABCVRRESA-N 0 0 325.416 1.630 10 0 EDAERN CCNC(=O)C1(CNC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)CCC1 ZINC000333604007 141343749 /nfs/dbraw/zinc/34/37/49/141343749.db2.gz MXYMCMGVLIFOHO-KDOFPFPSSA-N 0 0 337.464 1.892 10 0 EDAERN NC(=O)c1ncn(C2CCN(c3cnc4c(n3)CCCC4)CC2)c1N ZINC000333621700 141346276 /nfs/dbraw/zinc/34/62/76/141346276.db2.gz ZNQMUQRGSKXVCV-UHFFFAOYSA-N 0 0 341.419 1.859 10 0 EDAERN C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000252661723 297091739 /nfs/dbraw/zinc/09/17/39/297091739.db2.gz OLHLXKPPGSLXCC-MNOVXSKESA-N 0 0 332.857 1.321 10 0 EDAERN O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCN2C(=O)N=NC2C1 ZINC000333456478 304339533 /nfs/dbraw/zinc/33/95/33/304339533.db2.gz OOGGCECPGAUGRW-UKRRQHHQSA-N 0 0 328.372 1.494 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(CC)CC ZINC000189222119 286378913 /nfs/dbraw/zinc/37/89/13/286378913.db2.gz NXARCZZUZXJMAW-APIJFGDWSA-N 0 0 326.437 1.068 10 0 EDAERN O=C(c1cccc(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)n1)N1CCCC1 ZINC000333438679 161661136 /nfs/dbraw/zinc/66/11/36/161661136.db2.gz JFIAVYOYLPKYKM-GJZGRUSLSA-N 0 0 343.427 1.816 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccccc2[S@](=O)CC)CC1 ZINC000106394483 286942971 /nfs/dbraw/zinc/94/29/71/286942971.db2.gz RXFGDRDBEBSCMY-FATZIPQQSA-N 0 0 338.473 1.343 10 0 EDAERN CC[C@@H](O)CN1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000118857322 286943473 /nfs/dbraw/zinc/94/34/73/286943473.db2.gz HSFYCUPHWZZWDZ-QZTJIDSGSA-N 0 0 349.450 1.534 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)NCCC(=O)N2CCN(C)CC2)cc1 ZINC000049786863 287219086 /nfs/dbraw/zinc/21/90/86/287219086.db2.gz SMKCBALJNZQGGR-OAHLLOKOSA-N 0 0 346.475 1.773 10 0 EDAERN COCCN(CC(F)F)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000077741049 287289921 /nfs/dbraw/zinc/28/99/21/287289921.db2.gz ZDEITIPUGSKBED-LLVKDONJSA-N 0 0 336.379 1.984 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ncc(C)s3)CCO2)[nH]1 ZINC000119354310 287351474 /nfs/dbraw/zinc/35/14/74/287351474.db2.gz PTJPFLVTULXAHD-JTQLQIEISA-N 0 0 336.421 1.415 10 0 EDAERN CC(C)C[C@H](CCO)CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000120871289 287365511 /nfs/dbraw/zinc/36/55/11/287365511.db2.gz XVCXCOMCTJKMDV-JKSUJKDBSA-N 0 0 338.452 1.338 10 0 EDAERN COc1ccc(S(=O)(=O)N(C)[C@@H](C)CCSC)cc1CO ZINC000162498848 225817274 /nfs/dbraw/zinc/81/72/74/225817274.db2.gz UIYODSFICNXTKJ-NSHDSACASA-N 0 0 333.475 1.950 10 0 EDAERN C[C@H](C(=O)Nc1ccc(Br)cc1C(=O)[O-])C1C[NH2+]C1 ZINC000164487293 226076759 /nfs/dbraw/zinc/07/67/59/226076759.db2.gz XGEONSBYOXKRRJ-ZETCQYMHSA-N 0 0 327.178 1.941 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CN3CC(C)(C)OC3=O)CC2)n1 ZINC000124148507 287394658 /nfs/dbraw/zinc/39/46/58/287394658.db2.gz GAUPMVKHOCXPQT-GFCCVEGCSA-N 0 0 337.424 1.499 10 0 EDAERN CS(=O)(=O)CC[C@H](N)C(=O)Cc1sccc1Br ZINC000167123837 226181350 /nfs/dbraw/zinc/18/13/50/226181350.db2.gz NBUFZSDIHRIHDY-QMMMGPOBSA-N 0 0 340.264 1.384 10 0 EDAERN C[C@H]1C[C@H](C)N(S(=O)(=O)c2cc(CN)oc2Br)C1 ZINC000165732735 226135973 /nfs/dbraw/zinc/13/59/73/226135973.db2.gz HKKBXNYNCWYSRW-YUMQZZPRSA-N 0 0 337.239 1.920 10 0 EDAERN Cc1c(N)cccc1[S@@](=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000166009036 226144115 /nfs/dbraw/zinc/14/41/15/226144115.db2.gz SOXQOXBNLWYYIT-MPBGBICISA-N 0 0 330.475 1.356 10 0 EDAERN Nc1cc(Br)cc(C(=O)O[C@H]2CCS(=O)(=O)C2)c1 ZINC000166354605 226155178 /nfs/dbraw/zinc/15/51/78/226155178.db2.gz RCWQKPXYBUKRNZ-JTQLQIEISA-N 0 0 334.191 1.375 10 0 EDAERN C[C@H]1CO[C@H](CO)CN1C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000167870881 226202898 /nfs/dbraw/zinc/20/28/98/226202898.db2.gz NPUIRVVLGCSLEZ-BPNCWPANSA-N 0 0 342.233 1.834 10 0 EDAERN Nc1cc(Br)c(F)cc1N1CCN2C(=O)CC[C@@H]2C1 ZINC000168368175 226213739 /nfs/dbraw/zinc/21/37/39/226213739.db2.gz LOSCCAOFWCUKCP-MRVPVSSYSA-N 0 0 328.185 1.981 10 0 EDAERN Cc1nn(C)c(C(=O)OCc2ccc(Br)cn2)c1N ZINC000168380068 226213916 /nfs/dbraw/zinc/21/39/16/226213916.db2.gz PESFUIHZFRFLIF-UHFFFAOYSA-N 0 0 325.166 1.825 10 0 EDAERN C[C@@H]1NC(=O)[C@H](C2CC2)N(Cc2cncc(Br)c2)C1=O ZINC000168877941 226224833 /nfs/dbraw/zinc/22/48/33/226224833.db2.gz GQMIDUUISCDHKR-UFBFGSQYSA-N 0 0 338.205 1.470 10 0 EDAERN CCc1nn(C)cc1CNc1ncncc1I ZINC000168904166 226227042 /nfs/dbraw/zinc/22/70/42/226227042.db2.gz RALFFTPSUCRCBP-UHFFFAOYSA-N 0 0 343.172 1.989 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NC[C@@H]3CCCS3)CCO2)n1 ZINC000126917044 287430062 /nfs/dbraw/zinc/43/00/62/287430062.db2.gz NOTGQRYSCULLEG-CABCVRRESA-N 0 0 338.477 1.806 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)[C@H]1CCCO1 ZINC000120371522 221559657 /nfs/dbraw/zinc/55/96/57/221559657.db2.gz CLWBZLYYLPQIJM-QMTHXVAHSA-N 0 0 347.350 1.029 10 0 EDAERN CCOC(=O)C1(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CCC1 ZINC000122322833 222062834 /nfs/dbraw/zinc/06/28/34/222062834.db2.gz BDQBQKVLTMCOPA-LBPRGKRZSA-N 0 0 334.420 1.566 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Cl)nc2)cn1 ZINC000124237637 222396238 /nfs/dbraw/zinc/39/62/38/222396238.db2.gz ISOLSLWOFVNFMF-LBPRGKRZSA-N 0 0 333.779 1.771 10 0 EDAERN Cc1nc(CN2CCCN(c3ncnc4c3cnn4C)CC2)cs1 ZINC000171544908 227132083 /nfs/dbraw/zinc/13/20/83/227132083.db2.gz KGSZUVLOUPUCMK-UHFFFAOYSA-N 0 0 343.460 1.841 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(OCCF)c1 ZINC000130048519 287486551 /nfs/dbraw/zinc/48/65/51/287486551.db2.gz DACRXAFUSBJXGM-IUODEOHRSA-N 0 0 338.379 1.641 10 0 EDAERN NC(=O)c1ccc(NC(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000171788831 227281567 /nfs/dbraw/zinc/28/15/67/227281567.db2.gz FKPRUBGZBWDQPZ-LBPRGKRZSA-N 0 0 332.385 1.847 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cncc(O)c3)CC2)cn1 ZINC000171870920 227326259 /nfs/dbraw/zinc/32/62/59/227326259.db2.gz YUYDBRGIMDSDPG-UHFFFAOYSA-N 0 0 329.404 1.352 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(CCNC(=O)OC(C)(C)C)CC2)n1 ZINC000130224666 287488959 /nfs/dbraw/zinc/48/89/59/287488959.db2.gz USMAQCGKWFQHQW-GFCCVEGCSA-N 0 0 339.440 1.581 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000172127916 227483450 /nfs/dbraw/zinc/48/34/50/227483450.db2.gz JYMVMSPONROKQO-SJLPKXTDSA-N 0 0 340.427 1.917 10 0 EDAERN Cc1cccc2c(CC(=O)N3CC[C@H](N4CCOCC4)C3)c[nH]c21 ZINC000172755257 227864865 /nfs/dbraw/zinc/86/48/65/227864865.db2.gz OWKJRHLKLRTEEK-INIZCTEOSA-N 0 0 327.428 1.952 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000191492134 272979840 /nfs/dbraw/zinc/97/98/40/272979840.db2.gz NZSAOOSPPXMFNU-UHFFFAOYSA-N 0 0 343.408 1.961 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)COc1ccc(F)cc1F)C(C)C ZINC000192659967 272985252 /nfs/dbraw/zinc/98/52/52/272985252.db2.gz QEUIPUAGUDPWFB-IINYFYTJSA-N 0 0 343.374 1.802 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)CN(C)C(C)=O)c1ccc(Cl)cc1 ZINC000193862151 272999011 /nfs/dbraw/zinc/99/90/11/272999011.db2.gz SRSVBVDAXMSZBE-AWEZNQCLSA-N 0 0 326.780 1.539 10 0 EDAERN C[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)COCc1ccccc1 ZINC000193899216 272999842 /nfs/dbraw/zinc/99/98/42/272999842.db2.gz FCVNSEVKZLJJKC-IRXDYDNUSA-N 0 0 349.475 1.859 10 0 EDAERN CSc1nccn1-c1ccc(C(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000054793250 267391788 /nfs/dbraw/zinc/39/17/88/267391788.db2.gz BXTAFMVDSNZKBU-NSHDSACASA-N 0 0 332.429 1.801 10 0 EDAERN NC(=O)COc1ccccc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000125919087 267454273 /nfs/dbraw/zinc/45/42/73/267454273.db2.gz ARBLIJFDKGGHDP-UHFFFAOYSA-N 0 0 342.399 1.300 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181362540 267644010 /nfs/dbraw/zinc/64/40/10/267644010.db2.gz XWJXCMGXDDJZFK-ZDUSSCGKSA-N 0 0 345.403 1.044 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000194830115 267867690 /nfs/dbraw/zinc/86/76/90/267867690.db2.gz IIBINEHKCYPJQJ-WFASDCNBSA-N 0 0 343.427 1.942 10 0 EDAERN Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091759757 272917212 /nfs/dbraw/zinc/91/72/12/272917212.db2.gz ICEOUNDSGKBLDB-NHYWBVRUSA-N 0 0 334.322 1.910 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCCn2ncnc21)[C@@H](O)Cc1ccccc1 ZINC000246159288 287730191 /nfs/dbraw/zinc/73/01/91/287730191.db2.gz WXWLJIGABCWLFK-QEJZJMRPSA-N 0 0 329.404 1.404 10 0 EDAERN C[C@H](O)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248420190 287770428 /nfs/dbraw/zinc/77/04/28/287770428.db2.gz WHVPWTRAJHAPQO-IHRRRGAJSA-N 0 0 326.437 1.863 10 0 EDAERN CC(C)N(CC(N)=O)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171790680 277564440 /nfs/dbraw/zinc/56/44/40/277564440.db2.gz CXHSYOOQWDIUEU-WMLDXEAASA-N 0 0 331.416 1.318 10 0 EDAERN COc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000182985730 278085280 /nfs/dbraw/zinc/08/52/80/278085280.db2.gz CNCUOPPVWFSTKS-PWSUYJOCSA-N 0 0 333.323 1.111 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2cccc(N(C)C)n2)C[C@H]1N1CCOCC1 ZINC000164334792 278654485 /nfs/dbraw/zinc/65/44/85/278654485.db2.gz MAYUACZWJMYQCS-GDBMZVCRSA-N 0 0 347.463 1.010 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000081812415 279136885 /nfs/dbraw/zinc/13/68/85/279136885.db2.gz FOGISYOUKYVXTK-CQSZACIVSA-N 0 0 325.372 1.736 10 0 EDAERN CC(C)[C@@H]1N(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@@]12CCCO2 ZINC000328723542 280066302 /nfs/dbraw/zinc/06/63/02/280066302.db2.gz ANBHPBFTWCLFLW-KBPBESRZSA-N 0 0 349.403 1.726 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000184381432 280204322 /nfs/dbraw/zinc/20/43/22/280204322.db2.gz DEUJPNGXZZDMJV-CVEARBPZSA-N 0 0 327.469 1.434 10 0 EDAERN Cc1nc2c(nccc2C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)[nH]1 ZINC000333100528 293416766 /nfs/dbraw/zinc/41/67/66/293416766.db2.gz CQCGCEYMOUWGLP-ZDUSSCGKSA-N 0 0 328.294 1.796 10 0 EDAERN C[C@H](C(=O)N1CCNC[C@@H]1c1ccccc1Cl)N1CCOCC1 ZINC000261693782 298055076 /nfs/dbraw/zinc/05/50/76/298055076.db2.gz CLTHGZXDVBCPJD-CZUORRHYSA-N 0 0 337.851 1.534 10 0 EDAERN C[C@H](CN(C)C(=O)[C@@H](Cc1ccccc1)NC(N)=O)c1nccs1 ZINC000181428561 298492820 /nfs/dbraw/zinc/49/28/20/298492820.db2.gz YXBDZAKPONWGCA-TZMCWYRMSA-N 0 0 346.456 1.985 10 0 EDAERN Cc1c(Br)cccc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091782692 300909660 /nfs/dbraw/zinc/90/96/60/300909660.db2.gz GXWDNGFCFSYLJE-LLVKDONJSA-N 0 0 327.178 1.084 10 0 EDAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC000333714762 302160472 /nfs/dbraw/zinc/16/04/72/302160472.db2.gz HBIPOVAXRHYABK-MWDXBVQZSA-N 0 0 349.452 1.513 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)CN1CCCC1=O ZINC000172071010 302758992 /nfs/dbraw/zinc/75/89/92/302758992.db2.gz LNMMTURNHVYESR-DOMZBBRYSA-N 0 0 347.463 1.894 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2c(C)cccc2F)n1 ZINC000185739735 302856603 /nfs/dbraw/zinc/85/66/03/302856603.db2.gz IOXXJXBGDFAUNZ-GFCCVEGCSA-N 0 0 341.364 1.588 10 0 EDAERN Cn1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1=O ZINC000172180248 302961885 /nfs/dbraw/zinc/96/18/85/302961885.db2.gz FQNODYOQOORFQW-YOEHRIQHSA-N 0 0 339.395 1.934 10 0 EDAERN O=C(CN1C(=O)CCNC1=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000095506810 303597943 /nfs/dbraw/zinc/59/79/43/303597943.db2.gz GVBFEKMSVOWAFS-AWEZNQCLSA-N 0 0 333.363 1.821 10 0 EDAERN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1 ZINC000000262408 440810922 /nfs/dbraw/zinc/81/09/22/440810922.db2.gz OXQXFEMIIZXMEJ-CYBMUJFWSA-N 0 0 349.431 1.714 10 0 EDAERN CCOC(=O)CSC1=N/C(=C\c2cnn(C)c2C)C(=O)N1CC ZINC000002783674 440876727 /nfs/dbraw/zinc/87/67/27/440876727.db2.gz AKSRIYMXABQRJP-GHXNOFRVSA-N 0 0 336.417 1.584 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccncc2)[C@@H](C(=O)[O-])C1 ZINC000008698919 441097828 /nfs/dbraw/zinc/09/78/28/441097828.db2.gz MZBNFRLECGJRGZ-UONOGXRCSA-N 0 0 335.404 1.881 10 0 EDAERN COc1cccc(N2C(=O)CN(C(=O)Cc3cccnc3)C[C@H]2C)c1 ZINC000012571075 441136189 /nfs/dbraw/zinc/13/61/89/441136189.db2.gz ZCMLUUBFKGPHFD-CQSZACIVSA-N 0 0 339.395 1.897 10 0 EDAERN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104798889 441210446 /nfs/dbraw/zinc/21/04/46/441210446.db2.gz OVQCSDGABNIBJS-WCQYABFASA-N 0 0 327.375 1.998 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000105282761 441248129 /nfs/dbraw/zinc/24/81/29/441248129.db2.gz RNANDYNKQYMLEJ-OAHLLOKOSA-N 0 0 332.404 1.031 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cccnc2)ncn1 ZINC000105797715 441272075 /nfs/dbraw/zinc/27/20/75/441272075.db2.gz NSCWEXOZALJESR-CQSZACIVSA-N 0 0 341.419 1.382 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)Nc3ccccc3)CC2)nn1 ZINC000105800872 441273585 /nfs/dbraw/zinc/27/35/85/441273585.db2.gz SQYBOHMNEURALH-UHFFFAOYSA-N 0 0 325.416 1.936 10 0 EDAERN CC(=O)c1cc(C(=O)N2CCCN(c3cccnn3)CC2)n(C)c1 ZINC000105810700 441276241 /nfs/dbraw/zinc/27/62/41/441276241.db2.gz SCCDMQDFYXPJNW-UHFFFAOYSA-N 0 0 327.388 1.370 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2cccnc2Cl)C[C@@H]1C ZINC000105833016 441286134 /nfs/dbraw/zinc/28/61/34/441286134.db2.gz OKYZFXJSFHXPDY-STQMWFEESA-N 0 0 340.855 1.715 10 0 EDAERN COCCN1CCN(CC(=O)NCCC2CCCCC2)C[C@@H]1C ZINC000105833925 441286712 /nfs/dbraw/zinc/28/67/12/441286712.db2.gz NFYCHWNPAMZDKR-INIZCTEOSA-N 0 0 325.497 1.726 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)on2)C1 ZINC000105852373 441291967 /nfs/dbraw/zinc/29/19/67/441291967.db2.gz XULLWRJDAZGAMR-LBPRGKRZSA-N 0 0 331.376 1.544 10 0 EDAERN CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000081589027 441293812 /nfs/dbraw/zinc/29/38/12/441293812.db2.gz UNXRFPYHGLRAML-QWHCGFSZSA-N 0 0 335.408 1.406 10 0 EDAERN CCCS(=O)(=O)CCN(C)C1CCN(CCn2cccn2)CC1 ZINC000105863565 441294175 /nfs/dbraw/zinc/29/41/75/441294175.db2.gz VWMVWOSZTNVYAD-UHFFFAOYSA-N 0 0 342.509 1.104 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000106112473 441326913 /nfs/dbraw/zinc/32/69/13/441326913.db2.gz LGJGAWYVGIFCLR-HNNXBMFYSA-N 0 0 347.459 1.870 10 0 EDAERN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1cccnc1Cl ZINC000105883341 441305756 /nfs/dbraw/zinc/30/57/56/441305756.db2.gz IBIQHQPMZQSCNY-LBPRGKRZSA-N 0 0 334.811 1.677 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105888794 441307979 /nfs/dbraw/zinc/30/79/79/441307979.db2.gz PZMMRUBFWHZOFH-QGZVFWFLSA-N 0 0 342.399 1.425 10 0 EDAERN O=c1cc(CN2CCO[C@H](Cn3cccn3)C2)c2ccc(O)cc2o1 ZINC000105888276 441308042 /nfs/dbraw/zinc/30/80/42/441308042.db2.gz OZGWVKCASGNQSS-HNNXBMFYSA-N 0 0 341.367 1.596 10 0 EDAERN Cc1ccc(OC[C@H](O)CN2CCO[C@H](Cn3cccn3)C2)c(C)c1 ZINC000105890649 441308590 /nfs/dbraw/zinc/30/85/90/441308590.db2.gz VXWRGCXROWBZKD-MSOLQXFVSA-N 0 0 345.443 1.641 10 0 EDAERN Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)N(C(C)C)C(C)C)CCO2)c1 ZINC000105892093 441309834 /nfs/dbraw/zinc/30/98/34/441309834.db2.gz XNORBWXICZBUBM-IRXDYDNUSA-N 0 0 336.480 1.926 10 0 EDAERN COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000105898263 441311516 /nfs/dbraw/zinc/31/15/16/441311516.db2.gz ORINAIRVYASLAN-GJZGRUSLSA-N 0 0 343.431 1.801 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000074164550 441401520 /nfs/dbraw/zinc/40/15/20/441401520.db2.gz JCBMXTSUOHIPGK-GHMZBOCLSA-N 0 0 329.393 1.869 10 0 EDAERN CNC(=O)c1ccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000109005744 441484935 /nfs/dbraw/zinc/48/49/35/441484935.db2.gz LPUHSBRZVAWRMR-KRWDZBQOSA-N 0 0 328.416 1.452 10 0 EDAERN COCCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109100486 441488541 /nfs/dbraw/zinc/48/85/41/441488541.db2.gz GXZRJPDIOSPLKY-STQMWFEESA-N 0 0 340.370 1.632 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccnc(-n2cncn2)c1 ZINC000088197876 441495516 /nfs/dbraw/zinc/49/55/16/441495516.db2.gz JJCSIUIKEMFIQY-LBPRGKRZSA-N 0 0 338.375 1.081 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(CNC(C)=O)cc1 ZINC000088197247 441495595 /nfs/dbraw/zinc/49/55/95/441495595.db2.gz CUYAZSUHWXTMJY-HNNXBMFYSA-N 0 0 341.415 1.742 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000052606039 441463984 /nfs/dbraw/zinc/46/39/84/441463984.db2.gz QHCYKTYPEAOJAI-OAHLLOKOSA-N 0 0 342.436 1.988 10 0 EDAERN COc1ccc([C@H](C)NC(=O)[C@H]2CNC(=O)C2)cc1Br ZINC000110347575 441516873 /nfs/dbraw/zinc/51/68/73/441516873.db2.gz VPMJPCFAMMVJQR-WCBMZHEXSA-N 0 0 341.205 1.771 10 0 EDAERN Cc1nc(CN2CCCN(CC(=O)NC(C3CC3)C3CC3)CC2)no1 ZINC000075603170 441537973 /nfs/dbraw/zinc/53/79/73/441537973.db2.gz OVPBHVZUUGJQLN-UHFFFAOYSA-N 0 0 347.463 1.191 10 0 EDAERN CCS(=O)(=O)CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000066511899 441540019 /nfs/dbraw/zinc/54/00/19/441540019.db2.gz YDXDKXLZYACFOC-CQSZACIVSA-N 0 0 325.430 1.800 10 0 EDAERN COCCN1CCN([C@@H](C)c2nc(-c3cccnc3)no2)C[C@H]1C ZINC000112981161 441574397 /nfs/dbraw/zinc/57/43/97/441574397.db2.gz BKRYODNKOHRCRL-KGLIPLIRSA-N 0 0 331.420 1.845 10 0 EDAERN COc1cc(C(=O)NCC(=O)N[C@H]2C[C@H]2C)ccc1OC(F)F ZINC000076001597 441576792 /nfs/dbraw/zinc/57/67/92/441576792.db2.gz AWSLDGABXKDSBK-SCZZXKLOSA-N 0 0 328.315 1.551 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000076099890 441598496 /nfs/dbraw/zinc/59/84/96/441598496.db2.gz XSMNFGMGOWBOAP-GWCFXTLKSA-N 0 0 337.807 1.640 10 0 EDAERN C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(F)c(Cl)c1 ZINC000113382702 441605081 /nfs/dbraw/zinc/60/50/81/441605081.db2.gz KPRMSKULCUADHW-MRVPVSSYSA-N 0 0 342.758 1.391 10 0 EDAERN COC(=O)N[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2F)n1)C(C)C ZINC000113428792 441607901 /nfs/dbraw/zinc/60/79/01/441607901.db2.gz UNHLDDGNYXSNON-LLVKDONJSA-N 0 0 335.339 1.930 10 0 EDAERN CCN1CCC[C@@H](NC(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000113881182 441625549 /nfs/dbraw/zinc/62/55/49/441625549.db2.gz SGDJAIWKEWITAH-OAHLLOKOSA-N 0 0 326.400 1.656 10 0 EDAERN C[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000091091743 441660311 /nfs/dbraw/zinc/66/03/11/441660311.db2.gz RONYPOQXBMMSKR-SWLSCSKDSA-N 0 0 326.824 1.600 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000114838417 441689079 /nfs/dbraw/zinc/68/90/79/441689079.db2.gz ZKYGAPKIXUJRDI-KBPBESRZSA-N 0 0 338.452 1.086 10 0 EDAERN Cc1csc(-c2cc(C(=O)NCc3cnn(C)c3C)nc(N)n2)n1 ZINC000114866135 441692935 /nfs/dbraw/zinc/69/29/35/441692935.db2.gz FLUQZLSUZARQHN-UHFFFAOYSA-N 0 0 343.416 1.463 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)CC2 ZINC000114863120 441693336 /nfs/dbraw/zinc/69/33/36/441693336.db2.gz URXNYTHWNOIBFX-MNOVXSKESA-N 0 0 347.444 1.152 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)c[nH]1)CC2 ZINC000114872196 441694454 /nfs/dbraw/zinc/69/44/54/441694454.db2.gz GJCGOMQVPLMZLR-SECBINFHSA-N 0 0 338.209 1.676 10 0 EDAERN CCCN(CCC)C(=O)CCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114871549 441694465 /nfs/dbraw/zinc/69/44/65/441694465.db2.gz DCLKLFAIPGJBNK-CQSZACIVSA-N 0 0 349.479 1.700 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)CC2 ZINC000114874570 441694583 /nfs/dbraw/zinc/69/45/83/441694583.db2.gz WZEHUIBVIYRQFI-JTQLQIEISA-N 0 0 342.371 1.412 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091369616 441697971 /nfs/dbraw/zinc/69/79/71/441697971.db2.gz OPCOGQSJRDOXIO-SMDDNHRTSA-N 0 0 349.460 1.674 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)C1 ZINC000121468940 441711930 /nfs/dbraw/zinc/71/19/30/441711930.db2.gz MOWUGWOIWMXFAX-HNNXBMFYSA-N 0 0 342.399 1.542 10 0 EDAERN CCn1cc(C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000173418129 441744353 /nfs/dbraw/zinc/74/43/53/441744353.db2.gz ISKYIBKCGTVGGA-CYBMUJFWSA-N 0 0 329.408 1.134 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(CCOCC)CC1 ZINC000158537764 441744673 /nfs/dbraw/zinc/74/46/73/441744673.db2.gz ZMACIAUFILMKOM-AWEZNQCLSA-N 0 0 346.493 1.514 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Cl)nc2)ncn1 ZINC000173443167 441752249 /nfs/dbraw/zinc/75/22/49/441752249.db2.gz UJVJZPBEFSRRDR-LBPRGKRZSA-N 0 0 346.822 1.966 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000121729928 441767808 /nfs/dbraw/zinc/76/78/08/441767808.db2.gz KHLCKIAYKPFVCQ-ZWNOBZJWSA-N 0 0 331.424 1.637 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000121729474 441767955 /nfs/dbraw/zinc/76/79/55/441767955.db2.gz KHLCKIAYKPFVCQ-GWCFXTLKSA-N 0 0 331.424 1.637 10 0 EDAERN CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077148302 441723813 /nfs/dbraw/zinc/72/38/13/441723813.db2.gz VNTXHKUAEYCJBA-IUODEOHRSA-N 0 0 340.445 1.184 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cccc(C(N)=O)c1)CC2 ZINC000136818441 441725838 /nfs/dbraw/zinc/72/58/38/441725838.db2.gz VGROKANQFCQGNB-CYBMUJFWSA-N 0 0 327.388 1.245 10 0 EDAERN COCCN1C[C@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1=O ZINC000121543728 441728777 /nfs/dbraw/zinc/72/87/77/441728777.db2.gz JOCGOJOYWWPSFG-HIFRSBDPSA-N 0 0 346.427 1.900 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccccc1)CC2 ZINC000136860624 441729457 /nfs/dbraw/zinc/72/94/57/441729457.db2.gz XKZSVERUBYWPLH-CQSZACIVSA-N 0 0 341.415 1.263 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4ncsc4c3)CCO2)[nH]1 ZINC000173541441 441784400 /nfs/dbraw/zinc/78/44/00/441784400.db2.gz KBPPMFOWXOKQNT-GFCCVEGCSA-N 0 0 329.385 1.937 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000115955394 441788129 /nfs/dbraw/zinc/78/81/29/441788129.db2.gz OLARNMBEDIVWHO-CQSZACIVSA-N 0 0 328.434 1.162 10 0 EDAERN COc1ccc(CCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173553106 441788739 /nfs/dbraw/zinc/78/87/39/441788739.db2.gz SAAGDDIKFRXABM-OAHLLOKOSA-N 0 0 330.388 1.654 10 0 EDAERN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC[C@@H]1c1ccco1 ZINC000116047912 441792122 /nfs/dbraw/zinc/79/21/22/441792122.db2.gz AOCJGSPTGOYMNZ-CYBMUJFWSA-N 0 0 347.396 1.441 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(-n3cncn3)cc2C)CC1 ZINC000173585598 441799692 /nfs/dbraw/zinc/79/96/92/441799692.db2.gz IVEULSZXVKFCPD-INIZCTEOSA-N 0 0 343.431 1.104 10 0 EDAERN CCN(CCCNC(=O)N1CCC[C@H]1c1ccco1)S(C)(=O)=O ZINC000116423559 441821255 /nfs/dbraw/zinc/82/12/55/441821255.db2.gz OZJYXCRRJLSTPC-ZDUSSCGKSA-N 0 0 343.449 1.798 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173950658 441868710 /nfs/dbraw/zinc/86/87/10/441868710.db2.gz UFKZSUJFQJLENI-UKRRQHHQSA-N 0 0 326.400 1.918 10 0 EDAERN CC[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCN1CCOC ZINC000117308964 441869751 /nfs/dbraw/zinc/86/97/51/441869751.db2.gz USMNWWULWFTLEG-RDJZCZTQSA-N 0 0 346.427 1.337 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)NCc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173678495 441822546 /nfs/dbraw/zinc/82/25/46/441822546.db2.gz WJMKOYVRINCQCL-AWEZNQCLSA-N 0 0 349.822 1.456 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCCOC[C@@H]3CCCO3)C2)cn1 ZINC000116524566 441827433 /nfs/dbraw/zinc/82/74/33/441827433.db2.gz SKNHNGUSZDTXCN-HOCLYGCPSA-N 0 0 336.436 1.505 10 0 EDAERN O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173782585 441840143 /nfs/dbraw/zinc/84/01/43/441840143.db2.gz GIXFIVLWVOXVQB-GOEBONIOSA-N 0 0 331.416 1.626 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)CCn1ccnn1)c1ccccc1C ZINC000173816102 441844397 /nfs/dbraw/zinc/84/43/97/441844397.db2.gz ROMHATWMWNGPSZ-OAHLLOKOSA-N 0 0 330.388 1.787 10 0 EDAERN COc1cccc(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173875304 441854713 /nfs/dbraw/zinc/85/47/13/441854713.db2.gz TZZUXUOUSYAXOK-QAPCUYQASA-N 0 0 332.444 1.807 10 0 EDAERN NC(=O)Cn1c(-c2c(Cl)cccc2Cl)nc2c1ncnc2N ZINC000118746369 441902564 /nfs/dbraw/zinc/90/25/64/441902564.db2.gz DMAAYKDVVKGZHF-UHFFFAOYSA-N 0 0 337.170 1.868 10 0 EDAERN Cn1ncc2c1nc(N1CCOCC1)nc2-c1cccc2n[nH]cc21 ZINC000147193268 441906092 /nfs/dbraw/zinc/90/60/92/441906092.db2.gz GIQLGGOXYQYDJU-UHFFFAOYSA-N 0 0 335.371 1.743 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cscn2)ncn1 ZINC000174463578 441926448 /nfs/dbraw/zinc/92/64/48/441926448.db2.gz OIXQTPBUNJZRON-GFCCVEGCSA-N 0 0 347.448 1.443 10 0 EDAERN CC[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2C(C)=O)CC1 ZINC000118857035 441908270 /nfs/dbraw/zinc/90/82/70/441908270.db2.gz TXUCBFIZTUSORO-OAHLLOKOSA-N 0 0 333.432 1.216 10 0 EDAERN CCn1ncc2ccc(NC(=O)C(=O)N3CCS[C@@H](C)C3)cc21 ZINC000124306868 441916307 /nfs/dbraw/zinc/91/63/07/441916307.db2.gz NVRYEBRLVNNJFU-NSHDSACASA-N 0 0 332.429 1.959 10 0 EDAERN C[C@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C[C@H](C)O1 ZINC000173995394 441876316 /nfs/dbraw/zinc/87/63/16/441876316.db2.gz WVEPAKSKPLYMAK-KBPBESRZSA-N 0 0 348.447 1.581 10 0 EDAERN Cc1nn(C)c(C)c1CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000174089606 441887000 /nfs/dbraw/zinc/88/70/00/441887000.db2.gz KVGUTZLULNCWSF-LBPRGKRZSA-N 0 0 329.404 1.863 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)Nc1ccn(CCC(N)=O)n1)c1ccccc1 ZINC000124953997 441969876 /nfs/dbraw/zinc/96/98/76/441969876.db2.gz NMEBLUXNESTKNX-OLZOCXBDSA-N 0 0 329.404 1.436 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1nc[nH]n1)C(C)C ZINC000174535765 441935964 /nfs/dbraw/zinc/93/59/64/441935964.db2.gz SFRQBIURBWTRCD-TZMCWYRMSA-N 0 0 329.404 1.745 10 0 EDAERN Nc1nc(Cl)cc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000078519032 441940866 /nfs/dbraw/zinc/94/08/66/441940866.db2.gz VJZNLPKJNBUXJQ-ZETCQYMHSA-N 0 0 337.733 1.607 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Cc3c[nH]c4ncccc34)CCO2)[nH]1 ZINC000124634588 441942509 /nfs/dbraw/zinc/94/25/09/441942509.db2.gz BSZSDAJJSVJFFW-CYBMUJFWSA-N 0 0 340.387 1.386 10 0 EDAERN COc1cccc(OC)c1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000124669267 441945009 /nfs/dbraw/zinc/94/50/09/441945009.db2.gz MYGOWHAABXOIRI-ZBFHGGJFSA-N 0 0 348.443 1.425 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000119856153 441964813 /nfs/dbraw/zinc/96/48/13/441964813.db2.gz KXTFFIJMDYHKBC-NSHDSACASA-N 0 0 345.212 1.578 10 0 EDAERN O=C(CCCNC(=O)c1cccnc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000119861798 441966120 /nfs/dbraw/zinc/96/61/20/441966120.db2.gz XRRYYOULNUEGSP-HOTGVXAUSA-N 0 0 331.416 1.762 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)Oc1cccc(F)c1 ZINC000175010027 441994561 /nfs/dbraw/zinc/99/45/61/441994561.db2.gz IDPIJPNSDKHISO-ZIAGYGMSSA-N 0 0 339.411 1.613 10 0 EDAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000150970835 441983482 /nfs/dbraw/zinc/98/34/82/441983482.db2.gz WZLNFUFJBZFPDS-WCQYABFASA-N 0 0 347.383 1.964 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCc2ccccc2OCCN2CCOCC2)O1 ZINC000151001943 441989468 /nfs/dbraw/zinc/98/94/68/441989468.db2.gz WKJDZPWDCLPICC-MAUKXSAKSA-N 0 0 348.443 1.581 10 0 EDAERN CC[C@@H](COC)NC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000175176861 442011167 /nfs/dbraw/zinc/01/11/67/442011167.db2.gz QMTBESFOSOZZMU-QWHCGFSZSA-N 0 0 336.440 1.211 10 0 EDAERN CCCS(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000175213133 442018585 /nfs/dbraw/zinc/01/85/85/442018585.db2.gz KKMOVEUMAIEPPK-ZDUSSCGKSA-N 0 0 332.491 1.793 10 0 EDAERN COC[C@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1ccc(C)o1 ZINC000175273410 442030663 /nfs/dbraw/zinc/03/06/63/442030663.db2.gz AYRDFOBDFUVZDU-OCCSQVGLSA-N 0 0 325.409 1.295 10 0 EDAERN COc1cccc(CNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000175296942 442035780 /nfs/dbraw/zinc/03/57/80/442035780.db2.gz SKEPXQUIEFZHNC-AWEZNQCLSA-N 0 0 331.376 1.405 10 0 EDAERN COC(=O)CSCCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126229296 442090861 /nfs/dbraw/zinc/09/08/61/442090861.db2.gz JBSJKJRKPYXPLU-UHFFFAOYSA-N 0 0 325.434 1.418 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151346610 442046590 /nfs/dbraw/zinc/04/65/90/442046590.db2.gz LXAFZGNPYZGIOZ-HNAYVOBHSA-N 0 0 330.428 1.878 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000125857820 442055378 /nfs/dbraw/zinc/05/53/78/442055378.db2.gz FRPGFVWHAKFZRS-LLVKDONJSA-N 0 0 345.403 1.902 10 0 EDAERN C[C@@H](NC(=O)N[C@@H](C)CO)[C@H](OC1CCOCC1)c1ccccc1 ZINC000125855309 442055829 /nfs/dbraw/zinc/05/58/29/442055829.db2.gz NBRRBHQRMVQIRV-VBQJREDUSA-N 0 0 336.432 1.992 10 0 EDAERN Cc1onc(-c2ccccn2)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000162033645 442057503 /nfs/dbraw/zinc/05/75/03/442057503.db2.gz UQVNVBXWTWOJFP-CQSZACIVSA-N 0 0 342.399 1.592 10 0 EDAERN CCOc1ccccc1CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000175437773 442063472 /nfs/dbraw/zinc/06/34/72/442063472.db2.gz IRAPPONUGJDHRI-HNNXBMFYSA-N 0 0 345.403 1.795 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000151485607 442070204 /nfs/dbraw/zinc/07/02/04/442070204.db2.gz OATXXIKOZVSKMW-DZGCQCFKSA-N 0 0 346.427 1.841 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000151580167 442088013 /nfs/dbraw/zinc/08/80/13/442088013.db2.gz QBGZJVLYLQYQFK-GHMZBOCLSA-N 0 0 347.444 1.672 10 0 EDAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000126439807 442111852 /nfs/dbraw/zinc/11/18/52/442111852.db2.gz IFYROSTYPPTDJY-ZDUSSCGKSA-N 0 0 342.465 1.080 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175737904 442114624 /nfs/dbraw/zinc/11/46/24/442114624.db2.gz SJPRAWZXNRHHLH-NSHDSACASA-N 0 0 348.403 1.062 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000162738534 442119069 /nfs/dbraw/zinc/11/90/69/442119069.db2.gz GKQHHMARZJECEZ-SNVBAGLBSA-N 0 0 330.262 1.206 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CCC1CC1 ZINC000126531803 442119811 /nfs/dbraw/zinc/11/98/11/442119811.db2.gz SUGOZXLOWKGPNG-LLVKDONJSA-N 0 0 335.429 1.372 10 0 EDAERN Cc1nnc([C@@H]2CN(c3cnc4cc(F)c(F)cc4n3)CCO2)[nH]1 ZINC000175777672 442120265 /nfs/dbraw/zinc/12/02/65/442120265.db2.gz BTIRWPSNMPRUQM-ZDUSSCGKSA-N 0 0 332.314 1.912 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175863221 442136565 /nfs/dbraw/zinc/13/65/65/442136565.db2.gz KBEWVMRIERPRIY-CYBMUJFWSA-N 0 0 334.416 1.913 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NOCc3cccnc3)CCO2)c1 ZINC000126770217 442142502 /nfs/dbraw/zinc/14/25/02/442142502.db2.gz YOGMSPHLXAJWTF-OAHLLOKOSA-N 0 0 331.376 1.129 10 0 EDAERN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C[C@@H](O)C(C)C ZINC000126781906 442143094 /nfs/dbraw/zinc/14/30/94/442143094.db2.gz DPIYTVLVWGEOJY-UKRRQHHQSA-N 0 0 327.446 1.762 10 0 EDAERN COCCOc1ccccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126799251 442144288 /nfs/dbraw/zinc/14/42/88/442144288.db2.gz XLAPNTXRBXDQKO-OAHLLOKOSA-N 0 0 344.415 1.856 10 0 EDAERN Cc1cc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1F ZINC000175645092 442097800 /nfs/dbraw/zinc/09/78/00/442097800.db2.gz BUNGAZGRPMNNJY-PBHICJAKSA-N 0 0 335.423 1.996 10 0 EDAERN CCOc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000097129906 442172394 /nfs/dbraw/zinc/17/23/94/442172394.db2.gz OFYZJCZBIYUCAZ-MRXNPFEDSA-N 0 0 341.411 1.981 10 0 EDAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127417250 442200691 /nfs/dbraw/zinc/20/06/91/442200691.db2.gz GNKUWCWMKXQNSR-AWEZNQCLSA-N 0 0 337.387 1.411 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)COc2ccc(C)cc2C)n1 ZINC000120947964 442155418 /nfs/dbraw/zinc/15/54/18/442155418.db2.gz IQGKVENQRWKOLK-CQSZACIVSA-N 0 0 331.372 1.974 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(=O)[nH]c(C(C)C)c2)n1 ZINC000120979586 442160061 /nfs/dbraw/zinc/16/00/61/442160061.db2.gz ARMKQZFDPPBXJR-CYBMUJFWSA-N 0 0 332.360 1.816 10 0 EDAERN O=C(Nc1ccccc1SC(F)F)C(=O)N1CCC[C@H]1CO ZINC000120975876 442160687 /nfs/dbraw/zinc/16/06/87/442160687.db2.gz OERPBDJLDZHHPP-VIFPVBQESA-N 0 0 330.356 1.923 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(CC)(CC)CCO ZINC000152077414 442162270 /nfs/dbraw/zinc/16/22/70/442162270.db2.gz NFDFQELVNJGIBP-CQSZACIVSA-N 0 0 348.509 1.496 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCOCc1ccccc1)CC2 ZINC000176368154 442215359 /nfs/dbraw/zinc/21/53/59/442215359.db2.gz FTOYWYUTEKKAGH-OAHLLOKOSA-N 0 0 343.431 1.671 10 0 EDAERN C[C@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)Cn1ccnc1 ZINC000176380369 442216602 /nfs/dbraw/zinc/21/66/02/442216602.db2.gz QLDGNFATRAMSQQ-KGLIPLIRSA-N 0 0 329.404 1.846 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000176391676 442217727 /nfs/dbraw/zinc/21/77/27/442217727.db2.gz GNXSSJXKRYHQTE-OAHLLOKOSA-N 0 0 342.399 1.442 10 0 EDAERN O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127702350 442220722 /nfs/dbraw/zinc/22/07/22/442220722.db2.gz QOLZIUJFYUULRG-CYBMUJFWSA-N 0 0 338.367 1.937 10 0 EDAERN O=C(NCc1ccccc1-n1cccn1)N[C@H]1CCCn2ncnc21 ZINC000176461041 442225067 /nfs/dbraw/zinc/22/50/67/442225067.db2.gz DEYSSSGOJZUGHQ-AWEZNQCLSA-N 0 0 337.387 1.798 10 0 EDAERN COc1cccc(CNC(=O)CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152557248 442226215 /nfs/dbraw/zinc/22/62/15/442226215.db2.gz RMCSZNXRZPOFEM-SFHVURJKSA-N 0 0 341.411 1.860 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000170352494 442230709 /nfs/dbraw/zinc/23/07/09/442230709.db2.gz GSNRBVWIOHJDLY-HNNXBMFYSA-N 0 0 347.459 1.265 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)C1CCC(CO)CC1)CC2 ZINC000128687195 442282439 /nfs/dbraw/zinc/28/24/39/442282439.db2.gz GFAUEMGXAVYDEC-ROKHWSDSSA-N 0 0 335.452 1.348 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCCn2ccc3ccccc32)C1 ZINC000170920016 442288563 /nfs/dbraw/zinc/28/85/63/442288563.db2.gz UOOBPFOSESVHKU-INIZCTEOSA-N 0 0 330.432 1.661 10 0 EDAERN CCCC[C@H](COC)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000128921688 442295437 /nfs/dbraw/zinc/29/54/37/442295437.db2.gz CATFRWOVNRZEON-ZIAGYGMSSA-N 0 0 334.482 1.512 10 0 EDAERN CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000171065233 442305587 /nfs/dbraw/zinc/30/55/87/442305587.db2.gz XAGQTUMYROITIG-RISCZKNCSA-N 0 0 326.418 1.278 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)c3c(C)nn(C)c3C)C2)no1 ZINC000171240964 442332818 /nfs/dbraw/zinc/33/28/18/442332818.db2.gz JCMDZSOIDGQUSQ-CYBMUJFWSA-N 0 0 345.403 1.392 10 0 EDAERN O=C(NCCNC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccco1 ZINC000177381469 442334818 /nfs/dbraw/zinc/33/48/18/442334818.db2.gz IHKDIFYYACRPPU-CYBMUJFWSA-N 0 0 331.376 1.080 10 0 EDAERN CC(C)(C)c1ncc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000177391438 442335643 /nfs/dbraw/zinc/33/56/43/442335643.db2.gz YQTSCRKXRFQJOU-AWEZNQCLSA-N 0 0 345.447 1.409 10 0 EDAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177394930 442336398 /nfs/dbraw/zinc/33/63/98/442336398.db2.gz LDQRFQRRTKQNSD-OAHLLOKOSA-N 0 0 329.400 1.257 10 0 EDAERN Cc1cc(C)cc(N2CC[C@H](C(=O)NC[C@H]3CN(C)CCO3)C2=O)c1 ZINC000171286356 442338434 /nfs/dbraw/zinc/33/84/34/442338434.db2.gz LQNZPTMDCDGSCR-DLBZAZTESA-N 0 0 345.443 1.103 10 0 EDAERN CC(C)(C)c1ccc(S(=O)(=O)CCSC[C@@H](O)CO)cc1 ZINC000177416759 442339032 /nfs/dbraw/zinc/33/90/32/442339032.db2.gz MOXRPHDLPXCZRX-ZDUSSCGKSA-N 0 0 332.487 1.844 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CS(=O)(=O)CC(C)C ZINC000177154031 442306639 /nfs/dbraw/zinc/30/66/39/442306639.db2.gz CHQFRKGCJKSDQA-CQSZACIVSA-N 0 0 327.450 1.253 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3c[nH]c(=O)cc3C)CCO2)n1 ZINC000129463634 442318039 /nfs/dbraw/zinc/31/80/39/442318039.db2.gz GWNCAJOMCMNMJP-CQSZACIVSA-N 0 0 330.388 1.038 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(=O)n(CC)c2)C1 ZINC000171139649 442318874 /nfs/dbraw/zinc/31/88/74/442318874.db2.gz DYSFQSDVSJNHSE-CYBMUJFWSA-N 0 0 334.420 1.781 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1Cl ZINC000177633888 442364827 /nfs/dbraw/zinc/36/48/27/442364827.db2.gz JYJZCWRGSMGRIQ-JTQLQIEISA-N 0 0 333.779 1.310 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1C)CC2 ZINC000177641817 442366006 /nfs/dbraw/zinc/36/60/06/442366006.db2.gz USBOXHVHBSWXOJ-GFCCVEGCSA-N 0 0 345.378 1.358 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(-n3cccn3)ccn2)n1 ZINC000155390564 442393966 /nfs/dbraw/zinc/39/39/66/442393966.db2.gz FWDOGWMXUHEKRE-AWEZNQCLSA-N 0 0 340.343 1.172 10 0 EDAERN O=C(CN1CCC[C@@H]1c1ccco1)N1CCN(c2cnccn2)CC1 ZINC000172029434 442401686 /nfs/dbraw/zinc/40/16/86/442401686.db2.gz OPZCKLBCKBCMNJ-OAHLLOKOSA-N 0 0 341.415 1.555 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000132924482 442402910 /nfs/dbraw/zinc/40/29/10/442402910.db2.gz CQUXWXOKECGTKP-CHWSQXEVSA-N 0 0 334.420 1.618 10 0 EDAERN C[C@H](C(=O)N[C@H]1CCCn2ncnc21)n1nnc(-c2ccccc2)n1 ZINC000177543703 442355160 /nfs/dbraw/zinc/35/51/60/442355160.db2.gz MMUCZULETJXMQM-YPMHNXCESA-N 0 0 338.375 1.144 10 0 EDAERN C[C@H](C(=O)N[C@@H]1CCCn2ncnc21)n1nnc(-c2ccccc2)n1 ZINC000177543681 442355275 /nfs/dbraw/zinc/35/52/75/442355275.db2.gz MMUCZULETJXMQM-DGCLKSJQSA-N 0 0 338.375 1.144 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177598654 442361258 /nfs/dbraw/zinc/36/12/58/442361258.db2.gz VIYHBCGDICWXBT-UKRRQHHQSA-N 0 0 345.447 1.647 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000177606454 442361621 /nfs/dbraw/zinc/36/16/21/442361621.db2.gz BUIRAFYEJPHOPL-UONOGXRCSA-N 0 0 333.432 1.101 10 0 EDAERN CSc1nc(C(=O)N[C@H]2CCCn3ncnc32)c2ccccn21 ZINC000177605275 442361638 /nfs/dbraw/zinc/36/16/38/442361638.db2.gz ZFSDTKYFOYRAOI-JTQLQIEISA-N 0 0 328.401 1.913 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000177619013 442363895 /nfs/dbraw/zinc/36/38/95/442363895.db2.gz KQNDTYIMOGFNDS-LBPRGKRZSA-N 0 0 327.319 1.524 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCN3CCOC(C)(C)C3)C2)cn1 ZINC000172182510 442420183 /nfs/dbraw/zinc/42/01/83/442420183.db2.gz AJSJQLRBRDIURM-AWEZNQCLSA-N 0 0 335.452 1.030 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)N[C@@H]3CCCOC3)CC2)cn1 ZINC000172227159 442426426 /nfs/dbraw/zinc/42/64/26/442426426.db2.gz VQEXGARVNPIQCE-MRXNPFEDSA-N 0 0 349.479 1.644 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCN1CCOC ZINC000172232619 442427581 /nfs/dbraw/zinc/42/75/81/442427581.db2.gz VQWZVVPGGPVKJF-CYBMUJFWSA-N 0 0 332.404 1.039 10 0 EDAERN O=C(Nc1cc2c(cc1F)NC(=O)CC2)N[C@@H]1CCc2ncnn2C1 ZINC000133711697 442430489 /nfs/dbraw/zinc/43/04/89/442430489.db2.gz ZXSUYGKIKZAKEX-SNVBAGLBSA-N 0 0 344.350 1.438 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1)C(C)C ZINC000178431399 442433403 /nfs/dbraw/zinc/43/34/03/442433403.db2.gz LSSPZQKQUCPWHH-IUODEOHRSA-N 0 0 344.419 1.398 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1F)CC2 ZINC000172293996 442436220 /nfs/dbraw/zinc/43/62/20/442436220.db2.gz NHBDDHLPWKDFEY-JTQLQIEISA-N 0 0 346.366 1.215 10 0 EDAERN OCCO[C@H]1CCC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000172301625 442438689 /nfs/dbraw/zinc/43/86/89/442438689.db2.gz YUHZSTNCZZMJJS-IRXDYDNUSA-N 0 0 343.851 1.691 10 0 EDAERN O=C(CCc1nc(-c2ccncc2)no1)NC[C@H]1CCCC[C@H]1O ZINC000155953639 442438800 /nfs/dbraw/zinc/43/88/00/442438800.db2.gz MSWVYCBGAHSXJF-ZIAGYGMSSA-N 0 0 330.388 1.732 10 0 EDAERN O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCCC[C@H]1O ZINC000155953517 442439224 /nfs/dbraw/zinc/43/92/24/442439224.db2.gz MSWVYCBGAHSXJF-UONOGXRCSA-N 0 0 330.388 1.732 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000134055968 442448214 /nfs/dbraw/zinc/44/82/14/442448214.db2.gz WABIXPPOCRHXDP-ZDUSSCGKSA-N 0 0 342.399 1.918 10 0 EDAERN CCOCCO[C@@H](C)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172388744 442453269 /nfs/dbraw/zinc/45/32/69/442453269.db2.gz JIWIFHWGQKGXBE-AWEZNQCLSA-N 0 0 347.415 1.918 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000172411412 442456075 /nfs/dbraw/zinc/45/60/75/442456075.db2.gz IIFGORIWQIXSCR-UHFFFAOYSA-N 0 0 330.363 1.685 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@H](C)CN3CCCC3=O)CC2)cn1 ZINC000172557469 442489892 /nfs/dbraw/zinc/48/98/92/442489892.db2.gz GZEGSNBOJQVTNL-CQSZACIVSA-N 0 0 347.463 1.803 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000156536185 442491426 /nfs/dbraw/zinc/49/14/26/442491426.db2.gz MTFDTHODSFIVAT-ZBFHGGJFSA-N 0 0 333.432 1.759 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1cnccn1)CC2 ZINC000172607895 442503165 /nfs/dbraw/zinc/50/31/65/442503165.db2.gz ZRSUZZMYKNMZLF-LBPRGKRZSA-N 0 0 329.408 1.348 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)C(=O)c3ccccc3OC)CCO2)cn1 ZINC000191738861 442503252 /nfs/dbraw/zinc/50/32/52/442503252.db2.gz XDABHDSRWLBNHQ-MRXNPFEDSA-N 0 0 343.383 1.694 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(C)C ZINC000178864251 442507251 /nfs/dbraw/zinc/50/72/51/442507251.db2.gz ZZCGKMJFGMOBMO-CQSZACIVSA-N 0 0 340.445 1.369 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000191533092 442459694 /nfs/dbraw/zinc/45/96/94/442459694.db2.gz CYPVBZUBBMKHIP-NSHDSACASA-N 0 0 337.370 1.916 10 0 EDAERN COC(=O)CCCNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172515384 442477338 /nfs/dbraw/zinc/47/73/38/442477338.db2.gz ZWVCPDHEMPHCNJ-UHFFFAOYSA-N 0 0 346.387 1.613 10 0 EDAERN O=C1N[C@H](c2ccc(Br)c(Cl)c2)N2CCOC[C@@H]12 ZINC000191621641 442477578 /nfs/dbraw/zinc/47/75/78/442477578.db2.gz FORBYDGGLBOTLS-QWRGUYRKSA-N 0 0 331.597 1.932 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)CCOCC(F)F)CC2)n1 ZINC000191623788 442478370 /nfs/dbraw/zinc/47/83/70/442478370.db2.gz VSQRIYZHUSXUAT-LLVKDONJSA-N 0 0 346.378 1.509 10 0 EDAERN O=S(=O)(C1=Cc2ccccc2OC1)N1CCN2CCCC[C@@H]2C1 ZINC000191889517 442533836 /nfs/dbraw/zinc/53/38/36/442533836.db2.gz FGWMSQNVWFPJKP-OAHLLOKOSA-N 0 0 334.441 1.920 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)[S@@](=O)CCCC(=O)N(C)C ZINC000156952224 442536754 /nfs/dbraw/zinc/53/67/54/442536754.db2.gz PGLNFKXAUSTEBJ-QUVIJQCPSA-N 0 0 338.473 1.869 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)c2cnn(CC)c2)C[C@H]1CC ZINC000135013577 442545855 /nfs/dbraw/zinc/54/58/55/442545855.db2.gz KGISUQCCQASQNA-OAHLLOKOSA-N 0 0 336.436 1.045 10 0 EDAERN COc1cc(F)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1F ZINC000157112069 442550535 /nfs/dbraw/zinc/55/05/35/442550535.db2.gz VGCZLCAVKVDWIS-UFBFGSQYSA-N 0 0 328.315 1.596 10 0 EDAERN CCn1cc(Br)cc1C(=O)NC[C@@H]1CN(CC)CCO1 ZINC000134689918 442512727 /nfs/dbraw/zinc/51/27/27/442512727.db2.gz IUGIZUOJCLJHQI-GFCCVEGCSA-N 0 0 344.253 1.721 10 0 EDAERN CC1=C(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CCCO1 ZINC000178885217 442514017 /nfs/dbraw/zinc/51/40/17/442514017.db2.gz GUXJZFVISDVFMG-GOSISDBHSA-N 0 0 330.428 1.949 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)cn1 ZINC000191805075 442514468 /nfs/dbraw/zinc/51/44/68/442514468.db2.gz AMZUNTXAZJMRMI-MRXNPFEDSA-N 0 0 331.420 1.478 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000191813993 442516779 /nfs/dbraw/zinc/51/67/79/442516779.db2.gz BYEPGJBZFWQDNS-GHMZBOCLSA-N 0 0 326.334 1.846 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ncn1 ZINC000156850472 442527286 /nfs/dbraw/zinc/52/72/86/442527286.db2.gz YPBQNHDEFUHZAO-RKDXNWHRSA-N 0 0 346.309 1.661 10 0 EDAERN COc1ccc(OCCCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172748652 442533075 /nfs/dbraw/zinc/53/30/75/442533075.db2.gz SYQOOQXRGPGJNZ-MRXNPFEDSA-N 0 0 348.443 1.787 10 0 EDAERN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nnc2n1CCCC2 ZINC000135244241 442572317 /nfs/dbraw/zinc/57/23/17/442572317.db2.gz HUMOTQNCYXMEDM-SNVBAGLBSA-N 0 0 341.371 1.436 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccnc(-n2ccnc2)c1 ZINC000135297460 442577262 /nfs/dbraw/zinc/57/72/62/442577262.db2.gz SPBPSPXANVFWMR-OAHLLOKOSA-N 0 0 349.398 1.456 10 0 EDAERN Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)on1 ZINC000179128449 442578000 /nfs/dbraw/zinc/57/80/00/442578000.db2.gz QOLRCRMODMQUHI-ZBFHGGJFSA-N 0 0 331.347 1.958 10 0 EDAERN CC(C)c1noc2ncc(C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)cc21 ZINC000157405037 442579933 /nfs/dbraw/zinc/57/99/33/442579933.db2.gz FBUUHPHEIJSLRL-SKDRFNHKSA-N 0 0 332.360 1.061 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ncc[nH]1)C(C)C ZINC000172993719 442580326 /nfs/dbraw/zinc/58/03/26/442580326.db2.gz DWDIXQBHLVCTKN-MRXNPFEDSA-N 0 0 344.415 1.532 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(C)c(O)c3)CCO2)c1 ZINC000180336664 442583522 /nfs/dbraw/zinc/58/35/22/442583522.db2.gz VUPLBVAMIOTDEA-INIZCTEOSA-N 0 0 329.400 1.676 10 0 EDAERN CC[C@H](C)Oc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)ccn1 ZINC000180377934 442589181 /nfs/dbraw/zinc/58/91/81/442589181.db2.gz LEHPTLLZCATHJI-GOEBONIOSA-N 0 0 344.415 1.997 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)CN1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000186685324 442590789 /nfs/dbraw/zinc/59/07/89/442590789.db2.gz BVHRSRWYRXUNQQ-OAHLLOKOSA-N 0 0 339.480 1.648 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000192103020 442593220 /nfs/dbraw/zinc/59/32/20/442593220.db2.gz XDECRWAPTLQAHL-CQSZACIVSA-N 0 0 340.464 1.678 10 0 EDAERN Cc1ccn2ncc(C(=O)N[C@H](C)c3nnc4n3CCCC4)c2n1 ZINC000135417231 442593328 /nfs/dbraw/zinc/59/33/28/442593328.db2.gz YYLNPVOVQHKPND-LLVKDONJSA-N 0 0 325.376 1.457 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cc(C)cc(F)c3)CCO2)[nH]1 ZINC000180224438 442562269 /nfs/dbraw/zinc/56/22/69/442562269.db2.gz VGSOKUMYIPJMQG-CYBMUJFWSA-N 0 0 347.350 1.099 10 0 EDAERN CCNS(=O)(=O)c1ccc2c(c1)N(Cc1nnc(C)n1CC)CC2 ZINC000172918543 442566848 /nfs/dbraw/zinc/56/68/48/442566848.db2.gz XUQRPIPGHTTWQT-UHFFFAOYSA-N 0 0 349.460 1.467 10 0 EDAERN CN1CCO[C@@H](CNC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000172921590 442568530 /nfs/dbraw/zinc/56/85/30/442568530.db2.gz GPWZAHPVLPPLIV-ZDUSSCGKSA-N 0 0 333.215 1.819 10 0 EDAERN Cc1cc(F)ccc1-n1ccc(C(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000180637928 442640483 /nfs/dbraw/zinc/64/04/83/442640483.db2.gz HQYGRMKWNDLWIM-CQSZACIVSA-N 0 0 346.406 1.770 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2CC)C[C@H]1C ZINC000187064403 442650580 /nfs/dbraw/zinc/65/05/80/442650580.db2.gz UGQCPPGEFJAXHQ-OAHLLOKOSA-N 0 0 340.489 1.980 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1-n1cnnn1 ZINC000180725294 442652681 /nfs/dbraw/zinc/65/26/81/442652681.db2.gz NRCHBQRJLWZOKG-XJKSGUPXSA-N 0 0 343.387 1.455 10 0 EDAERN CCCNc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000192496894 442653977 /nfs/dbraw/zinc/65/39/77/442653977.db2.gz BQDFFZRQOPRJMV-HNNXBMFYSA-N 0 0 328.420 1.914 10 0 EDAERN CCC(C)(C)CNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000192202214 442612401 /nfs/dbraw/zinc/61/24/01/442612401.db2.gz NTBLOJMKZFZZQC-LLVKDONJSA-N 0 0 337.445 1.666 10 0 EDAERN COCC(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000179287690 442613112 /nfs/dbraw/zinc/61/31/12/442613112.db2.gz LFRDAIMODKMCMR-LBPRGKRZSA-N 0 0 332.322 1.381 10 0 EDAERN O=S(=O)(CC1CCOCC1)N1CCC(Nc2cccnn2)CC1 ZINC000173203779 442622348 /nfs/dbraw/zinc/62/23/48/442622348.db2.gz PXKLXPKTYJVZIZ-UHFFFAOYSA-N 0 0 340.449 1.109 10 0 EDAERN COC(=O)c1cncc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000180571451 442624787 /nfs/dbraw/zinc/62/47/87/442624787.db2.gz HCJJGUHNHGYNIS-CQSZACIVSA-N 0 0 329.360 1.971 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)C(C)C ZINC000179335871 442625206 /nfs/dbraw/zinc/62/52/06/442625206.db2.gz QELNCIKDFGDCQZ-CHWSQXEVSA-N 0 0 349.435 1.769 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@@H]1C(N)=O)C(=O)c1ccc(Cl)cc1 ZINC000180576793 442625711 /nfs/dbraw/zinc/62/57/11/442625711.db2.gz HHLWEGVJKNGDBP-ZWNOBZJWSA-N 0 0 338.791 1.262 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000180597673 442631057 /nfs/dbraw/zinc/63/10/57/442631057.db2.gz DSWZBCUHPXPZJZ-KGLIPLIRSA-N 0 0 342.399 1.683 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@@H]1COc2ccccc21 ZINC000181011745 442674431 /nfs/dbraw/zinc/67/44/31/442674431.db2.gz LGFNZZXJMDBQQI-CQSZACIVSA-N 0 0 349.350 1.660 10 0 EDAERN CC[C@H](CSC)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000181137290 442681763 /nfs/dbraw/zinc/68/17/63/442681763.db2.gz GUOWFVHZFLWCIM-MNOVXSKESA-N 0 0 327.454 1.700 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)s1 ZINC000181195751 442683825 /nfs/dbraw/zinc/68/38/25/442683825.db2.gz JZZIKFOPZOKVER-GFCCVEGCSA-N 0 0 333.417 1.870 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000187646290 442683900 /nfs/dbraw/zinc/68/39/00/442683900.db2.gz RZVCMRVOWJGVFI-GOSISDBHSA-N 0 0 328.368 1.556 10 0 EDAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2ccco2)O1 ZINC000181238568 442685911 /nfs/dbraw/zinc/68/59/11/442685911.db2.gz MGAHACFJLIYGPA-GUTXKFCHSA-N 0 0 335.404 1.762 10 0 EDAERN NC(=O)c1coc(CNC(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)c1 ZINC000188000163 442702562 /nfs/dbraw/zinc/70/25/62/442702562.db2.gz UNBUXFLRNXGCSE-GXTWGEPZSA-N 0 0 349.412 1.358 10 0 EDAERN CCOC(=O)[C@@H](NS(=O)(=O)N(C)CC)c1ccc(Cl)cc1 ZINC000192990792 442703971 /nfs/dbraw/zinc/70/39/71/442703971.db2.gz HMOSHQPYWYDNAN-LBPRGKRZSA-N 0 0 334.825 1.730 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCCC[C@@H]2CO)c(O)c1 ZINC000181969310 442723815 /nfs/dbraw/zinc/72/38/15/442723815.db2.gz YNGBUBIRJBRIPA-HIFRSBDPSA-N 0 0 334.416 1.488 10 0 EDAERN C[NH+](C)C[C@H]1CN(C(=O)c2ncccc2Br)CCO1 ZINC000193286048 442729591 /nfs/dbraw/zinc/72/95/91/442729591.db2.gz DPVXXIQPXUYTQF-JTQLQIEISA-N 0 0 328.210 1.247 10 0 EDAERN COCCN1CCN(C(=O)c2ncccc2Br)C[C@@H]1C ZINC000193292406 442730191 /nfs/dbraw/zinc/73/01/91/442730191.db2.gz YJRCXTULQUFZPM-NSHDSACASA-N 0 0 342.237 1.637 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000193361958 442736072 /nfs/dbraw/zinc/73/60/72/442736072.db2.gz KEUSKPXVEAMCJO-JKSUJKDBSA-N 0 0 334.416 1.717 10 0 EDAERN CC(C)CCOC1CCN(C(=O)NC[C@H](C)N2CCOCC2)CC1 ZINC000193438146 442742587 /nfs/dbraw/zinc/74/25/87/442742587.db2.gz NJFXMOAEIDCNMP-INIZCTEOSA-N 0 0 341.496 1.944 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CCOCC(F)F)C2=O)n(C)n1 ZINC000188479786 442755176 /nfs/dbraw/zinc/75/51/76/442755176.db2.gz UCBQKTBWCQBIIN-NSHDSACASA-N 0 0 344.362 1.012 10 0 EDAERN CC1(C)COCCN1CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182684965 442806339 /nfs/dbraw/zinc/80/63/39/442806339.db2.gz XBZNTADJYUOHMZ-HNNXBMFYSA-N 0 0 335.452 1.757 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)C[C@H](O)c2ccccc2F)n1C ZINC000182386437 442762281 /nfs/dbraw/zinc/76/22/81/442762281.db2.gz XCPKITQUCNGZGD-ZDUSSCGKSA-N 0 0 341.408 1.726 10 0 EDAERN CC(C)c1ncc(Cl)c(C(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188550869 442762363 /nfs/dbraw/zinc/76/23/63/442762363.db2.gz NQFRGZXUKKFXBU-UHFFFAOYSA-N 0 0 336.823 1.994 10 0 EDAERN CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182391585 442762790 /nfs/dbraw/zinc/76/27/90/442762790.db2.gz DKISPADNADRWRT-RYUDHWBXSA-N 0 0 344.481 1.547 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182391574 442762905 /nfs/dbraw/zinc/76/29/05/442762905.db2.gz DKISPADNADRWRT-NEPJUHHUSA-N 0 0 344.481 1.547 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000188553465 442763145 /nfs/dbraw/zinc/76/31/45/442763145.db2.gz KDYCWUAASYVRTD-SJLPKXTDSA-N 0 0 342.395 1.790 10 0 EDAERN CC(C)C[C@H](C(=O)N1CC(NC(=O)C2CCC2)C1)N1CCCCC1=O ZINC000188564882 442764049 /nfs/dbraw/zinc/76/40/49/442764049.db2.gz FPCHPEIKFDNPFY-MRXNPFEDSA-N 0 0 349.475 1.541 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000188579676 442765392 /nfs/dbraw/zinc/76/53/92/442765392.db2.gz LXYIMTMERNZDJP-CRAIPNDOSA-N 0 0 349.450 1.879 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000188622979 442772285 /nfs/dbraw/zinc/77/22/85/442772285.db2.gz OTJZGQKLYQUOCU-HOCLYGCPSA-N 0 0 339.457 1.923 10 0 EDAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000193751801 442779479 /nfs/dbraw/zinc/77/94/79/442779479.db2.gz RQFZINOOGPHWFU-JIMOISOXSA-N 0 0 325.796 1.197 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCCCOC(C)C)CCO2)[nH]1 ZINC000182762709 442821617 /nfs/dbraw/zinc/82/16/17/442821617.db2.gz POZCMFIBCLKZOH-CYBMUJFWSA-N 0 0 325.413 1.401 10 0 EDAERN Cc1nccn1C[C@@H](C)CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188833035 442823228 /nfs/dbraw/zinc/82/32/28/442823228.db2.gz VBAHKPVYZBMLQD-LBPRGKRZSA-N 0 0 333.436 1.138 10 0 EDAERN COCCn1cc(C(=O)N2CCCNC(=O)[C@@H]2C)c2ccccc21 ZINC000188858624 442828953 /nfs/dbraw/zinc/82/89/53/442828953.db2.gz VGMHLAIVGFZUCN-ZDUSSCGKSA-N 0 0 329.400 1.638 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CCC[C@H]2CO)ccc1Br ZINC000194062064 442839082 /nfs/dbraw/zinc/83/90/82/442839082.db2.gz UOIARFZDAJRBKX-VIFPVBQESA-N 0 0 342.193 1.074 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000194128807 442848733 /nfs/dbraw/zinc/84/87/33/442848733.db2.gz ILCSSEYFCGQMPB-VIFPVBQESA-N 0 0 337.330 1.790 10 0 EDAERN COc1n[nH]c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000182985768 442859706 /nfs/dbraw/zinc/85/97/06/442859706.db2.gz CNCUOPPVWFSTKS-JQWIXIFHSA-N 0 0 333.323 1.111 10 0 EDAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2nc[nH]n2)CCC1 ZINC000194284037 442871579 /nfs/dbraw/zinc/87/15/79/442871579.db2.gz WXFHHPOEHPAHPB-NSHDSACASA-N 0 0 337.424 1.994 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CC(NC(=O)C3CCC3)C2)cc1O ZINC000189227508 442900547 /nfs/dbraw/zinc/90/05/47/442900547.db2.gz LPSVAVRNWIONKU-SOFGYWHQSA-N 0 0 330.384 1.541 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000189107924 442878880 /nfs/dbraw/zinc/87/88/80/442878880.db2.gz JYPUSFOSTIGAAR-ZDUSSCGKSA-N 0 0 345.378 1.873 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCCC[S@](C)=O)[C@@H]1c1ccc(F)cc1 ZINC000179382051 318457936 /nfs/dbraw/zinc/45/79/36/318457936.db2.gz AGXSEVLNERFGIR-HMFCALDFSA-N 0 0 340.420 1.230 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)C1 ZINC000194599991 442920500 /nfs/dbraw/zinc/92/05/00/442920500.db2.gz QOSKHIJHDVCNAZ-CQSZACIVSA-N 0 0 334.416 1.182 10 0 EDAERN CCCOc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1OCC ZINC000194636917 442929219 /nfs/dbraw/zinc/92/92/19/442929219.db2.gz RFAFHVFSPIHMIR-HNNXBMFYSA-N 0 0 336.432 1.935 10 0 EDAERN O=C(NC1CN(C(=O)c2cnc(-c3ccncc3)s2)C1)C1CC1 ZINC000189366417 442930775 /nfs/dbraw/zinc/93/07/75/442930775.db2.gz RQAZYMUFSDXTCW-UHFFFAOYSA-N 0 0 328.397 1.556 10 0 EDAERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CC(NC(=O)C4CC4)C3)c2c1 ZINC000189382844 442935659 /nfs/dbraw/zinc/93/56/59/442935659.db2.gz JKQLKZKDUQYEKP-UHFFFAOYSA-N 0 0 343.358 1.739 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@](C)(c2ccc(F)cc2F)C1=O ZINC000194693449 442938561 /nfs/dbraw/zinc/93/85/61/442938561.db2.gz QSNWAMXZUYNOOO-MRXNPFEDSA-N 0 0 349.341 1.852 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)c2cncc(Cl)n2)CC1 ZINC000189392380 442938783 /nfs/dbraw/zinc/93/87/83/442938783.db2.gz CVTOPPMEWCCYEO-UHFFFAOYSA-N 0 0 332.795 1.661 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O ZINC000194699696 442939626 /nfs/dbraw/zinc/93/96/26/442939626.db2.gz IRVVEXGYWSDEBY-INIZCTEOSA-N 0 0 331.351 1.713 10 0 EDAERN O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CNC(=O)C1 ZINC000194802771 442955757 /nfs/dbraw/zinc/95/57/57/442955757.db2.gz OASZFVHOIIPIOE-GFCCVEGCSA-N 0 0 329.331 1.765 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)c2ccncc2OC)C[C@H]1C ZINC000249205571 442960505 /nfs/dbraw/zinc/96/05/05/442960505.db2.gz VTGWKXBOPDIMPL-ZIAGYGMSSA-N 0 0 336.436 1.513 10 0 EDAERN COCCO[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000249270786 442962003 /nfs/dbraw/zinc/96/20/03/442962003.db2.gz JFTBZYPCCWDYKF-LSDHHAIUSA-N 0 0 336.436 1.070 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C[C@H]1C ZINC000189658832 442990281 /nfs/dbraw/zinc/99/02/81/442990281.db2.gz IJJKBUCEVNOVNQ-HUUCEWRRSA-N 0 0 341.496 1.497 10 0 EDAERN CC(C)c1csc(NC(=O)NC[C@H](O)CN2CCOCC2)n1 ZINC000194769328 442952333 /nfs/dbraw/zinc/95/23/33/442952333.db2.gz QOMZYFDVYOXNJZ-NSHDSACASA-N 0 0 328.438 1.081 10 0 EDAERN Cc1nc(C[C@H]2CCCN(CC(=O)N(C)Cc3cnn(C)c3)C2)no1 ZINC000195518257 443027982 /nfs/dbraw/zinc/02/79/82/443027982.db2.gz UZEFOCJMIOVLSW-CQSZACIVSA-N 0 0 346.435 1.025 10 0 EDAERN CC(=O)N1CCOC[C@@H]1C(=O)NCCc1csc2ccccc12 ZINC000195547207 443031290 /nfs/dbraw/zinc/03/12/90/443031290.db2.gz IATCCWYYYDAWHG-OAHLLOKOSA-N 0 0 332.425 1.807 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OC[C@H]2CCCCO2)C1 ZINC000249731652 443001714 /nfs/dbraw/zinc/00/17/14/443001714.db2.gz ARFGKKCGTCKSPZ-ARFHVFGLSA-N 0 0 340.464 1.868 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)C(C)C ZINC000184246706 443004821 /nfs/dbraw/zinc/00/48/21/443004821.db2.gz USPGMEJKWDTVEE-OWCLPIDISA-N 0 0 333.432 1.977 10 0 EDAERN O=C(Cc1cccnc1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000223330335 443088346 /nfs/dbraw/zinc/08/83/46/443088346.db2.gz KJNLZAQPVLRQNL-FQEVSTJZSA-N 0 0 348.406 1.945 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3c[nH]nc3C3CC3)CC2)no1 ZINC000190362934 443093307 /nfs/dbraw/zinc/09/33/07/443093307.db2.gz DWVJILWORCSCCB-UHFFFAOYSA-N 0 0 330.392 1.327 10 0 EDAERN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(F)cc2)n1 ZINC000224176867 443097039 /nfs/dbraw/zinc/09/70/39/443097039.db2.gz CLRHRVPDDNFCEW-UHFFFAOYSA-N 0 0 330.363 1.691 10 0 EDAERN O=c1oc2cccnc2n1CCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000253395888 443054122 /nfs/dbraw/zinc/05/41/22/443054122.db2.gz IEXHWOQBIGVQQZ-HUUCEWRRSA-N 0 0 343.358 1.937 10 0 EDAERN CC[C@H](NS(=O)(=O)c1ccc(-c2cc[nH]n2)o1)[C@H]1C[C@@H](O)C1 ZINC000219728325 443060564 /nfs/dbraw/zinc/06/05/64/443060564.db2.gz UTXVZXFVZRBIEF-DCAQKATOSA-N 0 0 325.390 1.498 10 0 EDAERN O=C(NCC1(CO)CCC1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000184763604 443073552 /nfs/dbraw/zinc/07/35/52/443073552.db2.gz BLLQFMNHWSSELS-ZDUSSCGKSA-N 0 0 338.429 1.367 10 0 EDAERN CC[C@@H]1CN(C(=O)NCCN(C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000184764608 443073582 /nfs/dbraw/zinc/07/35/82/443073582.db2.gz ZZSNIDYYIXYKOQ-IAGOWNOFSA-N 0 0 348.491 1.609 10 0 EDAERN Cc1cccc(C)c1OCCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190318516 443084547 /nfs/dbraw/zinc/08/45/47/443084547.db2.gz BIMWLQOUXNKSDT-UHFFFAOYSA-N 0 0 331.416 1.602 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCCc2ccc(OC)cc2)CC1 ZINC000184931865 443100806 /nfs/dbraw/zinc/10/08/06/443100806.db2.gz PUWWAZILWPRGDH-KRWDZBQOSA-N 0 0 349.475 1.726 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCCOC2CCCC2)CC1 ZINC000184986951 443112603 /nfs/dbraw/zinc/11/26/03/443112603.db2.gz ATSBKVJWIKVBJX-OAHLLOKOSA-N 0 0 327.469 1.434 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(F)c(F)c2)n1 ZINC000185066292 443129213 /nfs/dbraw/zinc/12/92/13/443129213.db2.gz DINUZLSWNGFRRS-ZDUSSCGKSA-N 0 0 338.314 1.668 10 0 EDAERN CCCCCOc1ccc(C(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000185258365 443171935 /nfs/dbraw/zinc/17/19/35/443171935.db2.gz JVEMXOANZZVPOF-UHFFFAOYSA-N 0 0 334.416 1.843 10 0 EDAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)cn1 ZINC000190753628 443177066 /nfs/dbraw/zinc/17/70/66/443177066.db2.gz GCQSZVDVOGMRTA-WCQYABFASA-N 0 0 335.433 1.760 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(COc3ccccc3F)on2)C1 ZINC000185343777 443186890 /nfs/dbraw/zinc/18/68/90/443186890.db2.gz WCEOQNIOPVWYGV-ZDUSSCGKSA-N 0 0 349.362 1.453 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[C@H]1CCCO1 ZINC000185612659 443226817 /nfs/dbraw/zinc/22/68/17/443226817.db2.gz FCJTWMZGXJEQCT-DGCLKSJQSA-N 0 0 335.408 1.406 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCCc2nccs2)C12CCOCC2 ZINC000185641819 443231940 /nfs/dbraw/zinc/23/19/40/443231940.db2.gz UCWQJRZGRFREOC-OLZOCXBDSA-N 0 0 339.461 1.959 10 0 EDAERN Cn1nc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1OC(F)F ZINC000185705156 443241976 /nfs/dbraw/zinc/24/19/76/443241976.db2.gz FQJPRDCXKQZQMJ-VIFPVBQESA-N 0 0 326.307 1.090 10 0 EDAERN CCN(CCNC(=O)N1CCCNC(=O)[C@H]1C)c1cccc(C)c1 ZINC000191146574 443248119 /nfs/dbraw/zinc/24/81/19/443248119.db2.gz ZHDBLBRVOMSLOL-OAHLLOKOSA-N 0 0 332.448 1.741 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCCOCCc1ccccc1 ZINC000191216616 443260443 /nfs/dbraw/zinc/26/04/43/443260443.db2.gz QFMUPZCOIJJUFQ-MRXNPFEDSA-N 0 0 347.459 1.946 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(OC(F)F)n(C)n1 ZINC000185798999 443259709 /nfs/dbraw/zinc/25/97/09/443259709.db2.gz DOGUHZSVBKPSED-QMMMGPOBSA-N 0 0 326.307 1.186 10 0 EDAERN CCN1CCO[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)C1 ZINC000246129963 443270893 /nfs/dbraw/zinc/27/08/93/443270893.db2.gz KUCMIANTOHYJBB-MAZHCROVSA-N 0 0 340.370 1.320 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)C(C)C ZINC000246234032 443281819 /nfs/dbraw/zinc/28/18/19/443281819.db2.gz RWVKLOYMCWXNGL-KCPJHIHWSA-N 0 0 331.416 1.782 10 0 EDAERN COc1ccc(/C=C/C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1O ZINC000185917243 443282879 /nfs/dbraw/zinc/28/28/79/443282879.db2.gz YBKMGOCWWIUBMQ-DRDHIDPGSA-N 0 0 343.383 1.538 10 0 EDAERN CCN(CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C1CC1 ZINC000246001838 443261836 /nfs/dbraw/zinc/26/18/36/443261836.db2.gz FNCKDAKJQLDDQY-GUYCJALGSA-N 0 0 342.505 1.786 10 0 EDAERN CN(C(=O)CCc1ccncn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000191254881 443267176 /nfs/dbraw/zinc/26/71/76/443267176.db2.gz MMCGWHAECDDDHO-HNNXBMFYSA-N 0 0 326.404 1.327 10 0 EDAERN COc1c(CNCc2nc3cc(OC)ccc3n2C)c(C)nn1C ZINC000185835233 443267161 /nfs/dbraw/zinc/26/71/61/443267161.db2.gz QHYFVELRUFYCML-UHFFFAOYSA-N 0 0 329.404 1.922 10 0 EDAERN CCn1c([C@H]2OCC[C@H]2C)nn(Cc2ccc(C(N)=O)cc2)c1=O ZINC000328637778 444407141 /nfs/dbraw/zinc/40/71/41/444407141.db2.gz OUKBLZXBZFWWNF-RISCZKNCSA-N 0 0 330.388 1.309 10 0 EDAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)C1=COCCC1 ZINC000328648039 444412928 /nfs/dbraw/zinc/41/29/28/444412928.db2.gz UHUVUZIYXHFGOR-HOTGVXAUSA-N 0 0 334.395 1.542 10 0 EDAERN NC(=O)c1noc([C@H]2CCCN2C[C@@H](O)c2ccc(F)cc2F)n1 ZINC000328628020 444401932 /nfs/dbraw/zinc/40/19/32/444401932.db2.gz GUHYOWJYVJBJMJ-VXGBXAGGSA-N 0 0 338.314 1.317 10 0 EDAERN Cn1ncnc1[C@H]1COCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000375226853 446655374 /nfs/dbraw/zinc/65/53/74/446655374.db2.gz JWHKQLRZNIBOKQ-MRXNPFEDSA-N 0 0 337.383 1.820 10 0 EDAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)/C=C/c2ccnn2C)C1 ZINC000375974664 447185644 /nfs/dbraw/zinc/18/56/44/447185644.db2.gz OIECBQWHZABSLG-LFAOLKIESA-N 0 0 341.415 1.574 10 0 EDAERN O[C@@H]1CC[C@@H]2CN(c3ncc(I)cn3)C[C@H]2C1 ZINC000399024129 447561348 /nfs/dbraw/zinc/56/13/48/447561348.db2.gz VZDQGZHSGJZUMW-FXPVBKGRSA-N 0 0 345.184 1.678 10 0 EDAERN COC(=O)Cc1c(N)cc(I)cc1[N+](=O)[O-] ZINC000575641933 447878632 /nfs/dbraw/zinc/87/86/32/447878632.db2.gz XYDQYRYXQRHOEA-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CSc1ccc(F)c(I)c1S(N)(=O)=O ZINC000575704411 447881248 /nfs/dbraw/zinc/88/12/48/447881248.db2.gz CYINRQXSAAEWAS-UHFFFAOYSA-N 0 0 347.174 1.800 10 0 EDAERN Cc1cn2nc(N[C@H]3CCN(C(=O)c4cc(C)on4)C3)ccc2n1 ZINC000577212578 448237854 /nfs/dbraw/zinc/23/78/54/448237854.db2.gz HUIRHJZMMPGDBZ-LBPRGKRZSA-N 0 0 326.360 1.661 10 0 EDAERN C[C@@H]1CN(C)C[C@H](c2nc(-c3ccc(C(=O)N(C)C)nc3)no2)O1 ZINC000527544904 448259186 /nfs/dbraw/zinc/25/91/86/448259186.db2.gz MZUKFCDLALLDRM-ZWNOBZJWSA-N 0 0 331.376 1.225 10 0 EDAERN O=S(=O)(c1ccccc1F)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583616410 448443454 /nfs/dbraw/zinc/44/34/54/448443454.db2.gz NXFBEOMVHXHBDQ-YUTCNCBUSA-N 0 0 329.393 1.376 10 0 EDAERN COc1cc(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)ccc1Cl ZINC000583617845 448445304 /nfs/dbraw/zinc/44/53/04/448445304.db2.gz YYJOQSJWQDSHRC-OAHLLOKOSA-N 0 0 336.779 1.591 10 0 EDAERN O=C(c1ncccc1C(F)(F)F)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618956 448448441 /nfs/dbraw/zinc/44/84/41/448448441.db2.gz MXLBJEHOTIKWQL-CYBMUJFWSA-N 0 0 341.293 1.342 10 0 EDAERN O=C(CCn1ccc2ccccc21)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618951 448448964 /nfs/dbraw/zinc/44/89/64/448448964.db2.gz MAHDFKYVZUTBTR-GOSISDBHSA-N 0 0 339.399 1.660 10 0 EDAERN Cc1cc(C)c(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)[nH]1 ZINC000583618984 448449137 /nfs/dbraw/zinc/44/91/37/448449137.db2.gz PPKUTRUPUJPDKC-KRWDZBQOSA-N 0 0 331.420 1.928 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)nc(C)n1 ZINC000583618973 448449142 /nfs/dbraw/zinc/44/91/42/448449142.db2.gz NUEDRQKRUBMZKF-KRWDZBQOSA-N 0 0 344.419 1.390 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)c(C)o1 ZINC000583620969 448451696 /nfs/dbraw/zinc/45/16/96/448451696.db2.gz UYZXFNZLMDTSOS-CZUORRHYSA-N 0 0 330.388 1.722 10 0 EDAERN O=C1O[C@H](O)C([S@@](=O)c2ccc(Br)cc2)=C1Cl ZINC000584634433 448587209 /nfs/dbraw/zinc/58/72/09/448587209.db2.gz BHDCQBMPCICCSN-BTDLBPIBSA-N 0 0 337.578 1.882 10 0 EDAERN O=C(NCc1ccc(C2CC2)cc1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000567218617 448639758 /nfs/dbraw/zinc/63/97/58/448639758.db2.gz JCJSYHQAUMHYRV-HNNXBMFYSA-N 0 0 327.388 1.965 10 0 EDAERN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ncnc3nc[nH]c32)C1 ZINC000548334559 449021812 /nfs/dbraw/zinc/02/18/12/449021812.db2.gz VACUXPNXXTZFAI-HNNXBMFYSA-N 0 0 343.416 1.360 10 0 EDAERN CCN1CCO[C@H](CNc2ccc(I)cn2)C1 ZINC000590689673 449246942 /nfs/dbraw/zinc/24/69/42/449246942.db2.gz GFAQSOMBJLSLJZ-LLVKDONJSA-N 0 0 347.200 1.819 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H]1c1ccccc1CO ZINC000616600236 450454704 /nfs/dbraw/zinc/45/47/04/450454704.db2.gz CGYSEGRJXLNILD-QGZVFWFLSA-N 0 0 333.409 1.941 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@H]1c1ccc(CO)cc1 ZINC000616642033 450456833 /nfs/dbraw/zinc/45/68/33/450456833.db2.gz CBLRMAIPHZHVBA-KRWDZBQOSA-N 0 0 333.409 1.941 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2ccc(CO)cc2)C1 ZINC000616663098 450458962 /nfs/dbraw/zinc/45/89/62/450458962.db2.gz HDUYLXLVMAMZOD-KRWDZBQOSA-N 0 0 347.436 1.984 10 0 EDAERN Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1 ZINC000616766633 450478586 /nfs/dbraw/zinc/47/85/86/450478586.db2.gz JDTVBEZYUKXQTH-AYBZRNKSSA-N 0 0 341.411 1.954 10 0 EDAERN Cc1ccc(OCCC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c(C)c1 ZINC000616769069 450479626 /nfs/dbraw/zinc/47/96/26/450479626.db2.gz XNPXHWVMNFIXPE-VKJFTORMSA-N 0 0 329.400 1.760 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(Br)c(C)n1 ZINC000664271744 452952408 /nfs/dbraw/zinc/95/24/08/452952408.db2.gz WQHXBLCLKSMTDK-UWVGGRQHSA-N 0 0 335.223 1.376 10 0 EDAERN CCCn1ncc(NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)c1C1CC1 ZINC000644478107 453504295 /nfs/dbraw/zinc/50/42/95/453504295.db2.gz GFWPKSYNUZIBKE-AWEZNQCLSA-N 0 0 343.435 1.523 10 0 EDAERN C[C@@H](NC(=O)CCNS(C)(=O)=O)c1cccc(Br)c1 ZINC000075862082 486075674 /nfs/dbraw/zinc/07/56/74/486075674.db2.gz TVQHRIMCCXHJKX-SECBINFHSA-N 0 0 349.250 1.566 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)[C@H](C)NC(=O)c2ccco2)cc1 ZINC000142816432 486246326 /nfs/dbraw/zinc/24/63/26/486246326.db2.gz WEYDTDOBDQKTLG-NSHDSACASA-N 0 0 329.356 1.673 10 0 EDAERN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1=O ZINC000246532766 491237706 /nfs/dbraw/zinc/23/77/06/491237706.db2.gz SCEJSXJBUSVOQE-VYDXJSESSA-N 0 0 344.411 1.806 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)CC[C@@H]3CCCO3)C2)no1 ZINC000119447555 490995705 /nfs/dbraw/zinc/99/57/05/490995705.db2.gz QHNFPAMNVIXMGN-KBPBESRZSA-N 0 0 343.449 1.531 10 0 EDAERN CC[C@H](C)NC(=O)c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000065245969 490997141 /nfs/dbraw/zinc/99/71/41/490997141.db2.gz ZUAFLKMDVJOZTF-NSHDSACASA-N 0 0 331.376 1.497 10 0 EDAERN CSC[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173158375 533776680 /nfs/dbraw/zinc/77/66/80/533776680.db2.gz FLAVVZHDXAXSTC-NWDGAFQWSA-N 0 0 339.465 1.275 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(Cl)c(N)c1Cl)C(=O)N(C)C ZINC000165893081 533967291 /nfs/dbraw/zinc/96/72/91/533967291.db2.gz FMTRYYKANGRQJU-LURJTMIESA-N 0 0 340.232 1.331 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)CC(C)(C)O)C(C)C ZINC000174521507 533975470 /nfs/dbraw/zinc/97/54/70/533975470.db2.gz WKGSWYYFKLGOJJ-HNNXBMFYSA-N 0 0 336.432 1.679 10 0 EDAERN COc1ccccc1CCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173884067 534024340 /nfs/dbraw/zinc/02/43/40/534024340.db2.gz LGLUEKUSTAUSFJ-DOTOQJQBSA-N 0 0 332.444 1.807 10 0 EDAERN Cc1ccc(-n2cc(NC(=O)NC[C@H]3CN(C)CCO3)cn2)c(C)c1 ZINC000189652385 534239080 /nfs/dbraw/zinc/23/90/80/534239080.db2.gz BIXOTBJOSFEOPG-INIZCTEOSA-N 0 0 343.431 1.941 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCc1ccccn1 ZINC000178833333 534406485 /nfs/dbraw/zinc/40/64/85/534406485.db2.gz KVWZOVUUIRVPHG-MRXNPFEDSA-N 0 0 326.400 1.410 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2cc(COC(C)(C)C)on2)c1 ZINC000186906171 534745338 /nfs/dbraw/zinc/74/53/38/534745338.db2.gz IKOWSRWLKHUWKY-UHFFFAOYSA-N 0 0 335.408 1.994 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3CSCCS3)CCO2)c1 ZINC000177281579 534748250 /nfs/dbraw/zinc/74/82/50/534748250.db2.gz PXXJPEKOGOZBPJ-QWHCGFSZSA-N 0 0 327.475 1.268 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(CN2CCCC2=O)cc1 ZINC000177551505 534806638 /nfs/dbraw/zinc/80/66/38/534806638.db2.gz CQNAIUQJYRFWCB-HNNXBMFYSA-N 0 0 339.399 1.665 10 0 EDAERN O=S1(=O)CCCC[C@H]1c1nnc(I)s1 ZINC000167932181 534875225 /nfs/dbraw/zinc/87/52/25/534875225.db2.gz ZCFISBQFOMGUEY-YFKPBYRVSA-N 0 0 344.199 1.783 10 0 EDAERN CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCCn2ncnc21)CC1CC1 ZINC000175716428 526380546 /nfs/dbraw/zinc/38/05/46/526380546.db2.gz UWUDHEHAXSEAHG-CYBMUJFWSA-N 0 0 349.435 1.876 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2nnc(-c3ccccc3)s2)C1 ZINC000190250801 526709903 /nfs/dbraw/zinc/70/99/03/526709903.db2.gz SZXHHDNCLVTVSU-UHFFFAOYSA-N 0 0 331.401 1.235 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000171281038 526846334 /nfs/dbraw/zinc/84/63/34/526846334.db2.gz ZVYYXDSJVCNFNT-GFCCVEGCSA-N 0 0 346.412 1.362 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000150933480 526899412 /nfs/dbraw/zinc/89/94/12/526899412.db2.gz QPKCSGUMECYFBW-KBPBESRZSA-N 0 0 349.410 1.110 10 0 EDAERN CC(=O)OC(C)(C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187491249 527108406 /nfs/dbraw/zinc/10/84/06/527108406.db2.gz YGMOIVXGLAUMLF-INIZCTEOSA-N 0 0 334.416 1.206 10 0 EDAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)nn1 ZINC000175066354 527565437 /nfs/dbraw/zinc/56/54/37/527565437.db2.gz ALXWRTSWDRGTHR-UHFFFAOYSA-N 0 0 344.419 1.636 10 0 EDAERN CC(C)[C@H](O)CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000178874327 527721282 /nfs/dbraw/zinc/72/12/82/527721282.db2.gz RPWVJCSKLSGOKC-CQSZACIVSA-N 0 0 326.418 1.572 10 0 EDAERN CC(C)CCNC(=O)Cn1ncc(I)cc1=O ZINC000158560079 527732130 /nfs/dbraw/zinc/73/21/30/527732130.db2.gz XYNVURXXQKYKGY-UHFFFAOYSA-N 0 0 349.172 1.010 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)c2cn(C)nc2C)C1 ZINC000172601645 527950520 /nfs/dbraw/zinc/95/05/20/527950520.db2.gz IRVACJHCFGKBRQ-JSGCOSHPSA-N 0 0 335.452 1.880 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(N(C)C)ccn1)CC2 ZINC000137121971 528335542 /nfs/dbraw/zinc/33/55/42/528335542.db2.gz AGKWLKVTBNKPLO-LBPRGKRZSA-N 0 0 328.420 1.607 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](n3ccnc3CC)C2)C1 ZINC000151769708 528346483 /nfs/dbraw/zinc/34/64/83/528346483.db2.gz BZIKSXAICFAPIS-CABCVRRESA-N 0 0 347.463 1.803 10 0 EDAERN CCOc1ccc(C(=O)NCC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000154145960 528399345 /nfs/dbraw/zinc/39/93/45/528399345.db2.gz KMZNFFXKQNJWHD-ZBFHGGJFSA-N 0 0 334.416 1.482 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@](C)(O)c1ccco1)CC2 ZINC000181750012 528478729 /nfs/dbraw/zinc/47/87/29/528478729.db2.gz WYDKMZIZGOURHB-SJKOYZFVSA-N 0 0 347.419 1.516 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000184399719 528483480 /nfs/dbraw/zinc/48/34/80/528483480.db2.gz CEJVPEHEUAZQFV-HOCLYGCPSA-N 0 0 333.432 1.631 10 0 EDAERN CCOCCC1(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)CCC1 ZINC000133061273 528628441 /nfs/dbraw/zinc/62/84/41/528628441.db2.gz IOOQCEZEPXZCON-INIZCTEOSA-N 0 0 347.459 1.979 10 0 EDAERN CCCCOc1ccc(C(=O)N2CCOC[C@H]2C(N)=O)c(Cl)c1 ZINC000186302314 528660654 /nfs/dbraw/zinc/66/06/54/528660654.db2.gz SLZRTBCYKXCUBB-AWEZNQCLSA-N 0 0 340.807 1.845 10 0 EDAERN CCCn1cc(S(=O)(=O)N2CCSC(C)(C)C2)cc1CO ZINC000159299595 528849137 /nfs/dbraw/zinc/84/91/37/528849137.db2.gz JDDADCOSVDXJFB-UHFFFAOYSA-N 0 0 332.491 1.907 10 0 EDAERN CC(C)N1CCO[C@@H](CS(=O)(=O)c2cc(Cl)ccc2N)C1 ZINC000165270825 529050398 /nfs/dbraw/zinc/05/03/98/529050398.db2.gz KFWKTLAENBENBY-GFCCVEGCSA-N 0 0 332.853 1.805 10 0 EDAERN CCSCC[C@H](C)NC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000174968653 529194292 /nfs/dbraw/zinc/19/42/92/529194292.db2.gz ZHZVUDCNWRQVBN-RYUDHWBXSA-N 0 0 325.482 1.986 10 0 EDAERN CC[C@@H](C)NC(=O)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000171598782 529361516 /nfs/dbraw/zinc/36/15/16/529361516.db2.gz KHNSXTMEKUVIST-CABCVRRESA-N 0 0 339.505 1.968 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCCNC(=O)C(C)(C)C)CC2 ZINC000195288909 535026894 /nfs/dbraw/zinc/02/68/94/535026894.db2.gz VDAQRHUETVNTQM-CYBMUJFWSA-N 0 0 349.479 1.775 10 0 EDAERN CCC1(CC)[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C[C@@H]1OC ZINC000247950039 535271092 /nfs/dbraw/zinc/27/10/92/535271092.db2.gz DYARTVIASUHRKN-OAGGEKHMSA-N 0 0 339.480 1.696 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)C1CCOCC1 ZINC000246379407 535299997 /nfs/dbraw/zinc/29/99/97/535299997.db2.gz NDBPWVLYUQXHSC-OCCSQVGLSA-N 0 0 332.466 1.122 10 0 EDAERN CC[C@@H](C)NC(=O)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247129982 535574733 /nfs/dbraw/zinc/57/47/33/535574733.db2.gz KHNSXTMEKUVIST-HUUCEWRRSA-N 0 0 339.505 1.968 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@H](C)C(F)(F)F)C1 ZINC000263348859 535778056 /nfs/dbraw/zinc/77/80/56/535778056.db2.gz HHAFNFZUBLENBA-IDKOKCKLSA-N 0 0 325.331 1.422 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)cn1 ZINC000247143239 536053496 /nfs/dbraw/zinc/05/34/96/536053496.db2.gz YAGIBBHRWDOOOU-NVXWUHKLSA-N 0 0 349.479 1.688 10 0 EDAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000246504753 536166227 /nfs/dbraw/zinc/16/62/27/536166227.db2.gz CEDBSHVDXYEQDN-YDHLFZDLSA-N 0 0 335.452 1.669 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000081476460 536296856 /nfs/dbraw/zinc/29/68/56/536296856.db2.gz XINQMXSOTKGQRV-JKSUJKDBSA-N 0 0 333.432 1.787 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cccnc1OCC(F)(F)F)C(C)C ZINC000178863977 536381740 /nfs/dbraw/zinc/38/17/40/536381740.db2.gz PBBLDHBMTYMWAK-SNVBAGLBSA-N 0 0 333.310 1.523 10 0 EDAERN COC(CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)OC ZINC000012198836 536508054 /nfs/dbraw/zinc/50/80/54/536508054.db2.gz BIVZYYBPJHOJBH-UHFFFAOYSA-N 0 0 342.417 1.101 10 0 EDAERN COC[C@H](C)S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246079044 536840464 /nfs/dbraw/zinc/84/04/64/536840464.db2.gz GFIDSTXIWHCCNE-NUEKZKHPSA-N 0 0 327.446 1.939 10 0 EDAERN COc1ccccc1CC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000127542811 537016627 /nfs/dbraw/zinc/01/66/27/537016627.db2.gz PZIRXFJBQAKVMT-SFHVURJKSA-N 0 0 329.400 1.745 10 0 EDAERN Cc1noc(C[C@@]2(O)CCC[N@H+](Cc3cnn4ccccc34)C2)n1 ZINC000888077070 590932223 /nfs/dbraw/zinc/93/22/23/590932223.db2.gz HDZVPGBUVZYYFD-KRWDZBQOSA-N 0 0 327.388 1.595 10 0 EDAERN COc1cc(OC2CC2)ccc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079237 590936217 /nfs/dbraw/zinc/93/62/17/590936217.db2.gz NRLSAYLXIRGJDS-ZMSDIMECSA-N 0 0 343.383 1.537 10 0 EDAERN Cc1nnc([C@@H]2OCC[C@@H]2NC(=O)Cc2cc3ccccc3n2C)[nH]1 ZINC000888094707 591024850 /nfs/dbraw/zinc/02/48/50/591024850.db2.gz AZNNFVXMBAHDGE-WMLDXEAASA-N 0 0 339.399 1.794 10 0 EDAERN COCc1nn(C)cc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888095038 591025425 /nfs/dbraw/zinc/02/54/25/591025425.db2.gz LLYMOYYFQFHFRX-DZGCQCFKSA-N 0 0 333.392 1.030 10 0 EDAERN Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccncc3F)CCC(=O)N2C)cn1 ZINC000888102755 591030864 /nfs/dbraw/zinc/03/08/64/591030864.db2.gz KTOZRUYRCAHYKI-BZNIZROVSA-N 0 0 345.378 1.294 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000888102953 591031223 /nfs/dbraw/zinc/03/12/23/591031223.db2.gz WNUXBXZVVLFDKD-OLZOCXBDSA-N 0 0 349.435 1.119 10 0 EDAERN CCc1nnc2n1C[C@H](NC(=O)c1ccc3[nH]cnc3c1F)CC2 ZINC000896039872 591328755 /nfs/dbraw/zinc/32/87/55/591328755.db2.gz KNACTCGBTQDDSG-SECBINFHSA-N 0 0 328.351 1.601 10 0 EDAERN O=C(CC[C@H]1CCC(=O)N1)NCc1cccnc1N1CCCCC1 ZINC000898686755 591478165 /nfs/dbraw/zinc/47/81/65/591478165.db2.gz IKXIIZDQFOCFFI-HNNXBMFYSA-N 0 0 330.432 1.747 10 0 EDAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H](C)c1cc(=O)[nH][nH]1 ZINC000898876040 591576708 /nfs/dbraw/zinc/57/67/08/591576708.db2.gz QYZRFEJQILDPOR-MRVPVSSYSA-N 0 0 345.325 1.911 10 0 EDAERN Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)n1 ZINC000898262380 591844871 /nfs/dbraw/zinc/84/48/71/591844871.db2.gz UNCBYUKHZXZMKS-UGSOOPFHSA-N 0 0 325.368 1.847 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000101539044 595167006 /nfs/dbraw/zinc/16/70/06/595167006.db2.gz ZWUSPWACVAFVTM-ZDUSSCGKSA-N 0 0 329.400 1.621 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C[C@H](O)c3ccc(F)c(F)c3)CCO2)c1 ZINC000105892640 595494884 /nfs/dbraw/zinc/49/48/84/595494884.db2.gz WRRXVWJIQGTXCM-YOEHRIQHSA-N 0 0 337.370 1.904 10 0 EDAERN CCCS(=O)(=O)CCN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893882 595495075 /nfs/dbraw/zinc/49/50/75/595495075.db2.gz GGXVOFGJNSNXNM-HNNXBMFYSA-N 0 0 329.466 1.026 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1scnc1C ZINC000111956754 595986529 /nfs/dbraw/zinc/98/65/29/595986529.db2.gz XSNDNOLQFPFSGW-NSHDSACASA-N 0 0 332.447 1.699 10 0 EDAERN CCc1ncnc(N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1F ZINC000864312238 596830287 /nfs/dbraw/zinc/83/02/87/596830287.db2.gz GWHCONCCAAVOPG-SNVBAGLBSA-N 0 0 332.383 1.734 10 0 EDAERN NC(=O)NCCCOC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000127282159 597685594 /nfs/dbraw/zinc/68/55/94/597685594.db2.gz AEFHBEXTIJPNSD-SNVBAGLBSA-N 0 0 343.177 1.527 10 0 EDAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000132067617 597787223 /nfs/dbraw/zinc/78/72/23/597787223.db2.gz VGKNOTAVPRNFLC-QCODTGAPSA-N 0 0 340.464 1.565 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C#N)C(C)(C)C ZINC000154162916 696775448 /nfs/dbraw/zinc/77/54/48/696775448.db2.gz UTJWCYAWTPCQCE-GWCFXTLKSA-N 0 0 342.392 1.974 10 0 EDAERN Cc1cc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc(=O)[nH]1 ZINC000180281207 698727942 /nfs/dbraw/zinc/72/79/42/698727942.db2.gz XYQDQKBTDSUJSQ-QGZVFWFLSA-N 0 0 341.411 1.587 10 0 EDAERN CC(=O)N1CCN(Cc2ccc(NC(=O)C[C@@H](O)C(C)C)cc2)CC1 ZINC000181360393 699524743 /nfs/dbraw/zinc/52/47/43/699524743.db2.gz RWLOYPPGYRUDEI-GOSISDBHSA-N 0 0 347.459 1.696 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)Cn2ncc3cn(C)nc3c2=O)C12CCCC2 ZINC000186090396 701334477 /nfs/dbraw/zinc/33/44/77/701334477.db2.gz LTAJUPKCPIWGPN-LSDHHAIUSA-N 0 0 345.447 1.757 10 0 EDAERN CCN1CCN(CC(=O)c2ccccc2Br)C(=O)C1=O ZINC000050127177 214047044 /nfs/dbraw/zinc/04/70/44/214047044.db2.gz AQAXOKCSVKCPDG-UHFFFAOYSA-N 0 0 339.189 1.323 10 0 EDAERN C[C@@H](CC(N)=S)NS(=O)(=O)c1sccc1Br ZINC000050390841 214055837 /nfs/dbraw/zinc/05/58/37/214055837.db2.gz YVLLLLZWEOFICE-YFKPBYRVSA-N 0 0 343.293 1.854 10 0 EDAERN COCCCN(CCOC)C(=O)c1cc(Br)cnc1N ZINC000050708701 214067347 /nfs/dbraw/zinc/06/73/47/214067347.db2.gz PGLIXVOFNZAYKS-UHFFFAOYSA-N 0 0 346.225 1.551 10 0 EDAERN CCNC(=O)CCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000051760454 214103499 /nfs/dbraw/zinc/10/34/99/214103499.db2.gz PITIOPUCAJIEGR-UHFFFAOYSA-N 0 0 343.152 1.644 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC000172799411 230823804 /nfs/dbraw/zinc/82/38/04/230823804.db2.gz CBISTZWNZDDADK-LSDHHAIUSA-N 0 0 348.447 1.983 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCCO1 ZINC000055236420 214293031 /nfs/dbraw/zinc/29/30/31/214293031.db2.gz FUBZLPJQIAPNKZ-NHYWBVRUSA-N 0 0 338.429 1.807 10 0 EDAERN Cc1cccc2c1N(C(=O)C(=O)N1CCC[C@@H](n3cncn3)C1)CC2 ZINC000173689233 231006393 /nfs/dbraw/zinc/00/63/93/231006393.db2.gz SSKUXODMLAEJJT-OAHLLOKOSA-N 0 0 339.399 1.339 10 0 EDAERN C[C@H]1CN(C(=O)c2c(F)cc(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000173870483 231055845 /nfs/dbraw/zinc/05/58/45/231055845.db2.gz ZBCQUGOJKDPTPL-HZMBPMFUSA-N 0 0 328.334 1.897 10 0 EDAERN COc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(OC)c1 ZINC000173823556 231044392 /nfs/dbraw/zinc/04/43/92/231044392.db2.gz NVQGRVLJRKNLRL-BBRMVZONSA-N 0 0 334.416 1.497 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)N1CCc2sccc2C1 ZINC000173937097 231074969 /nfs/dbraw/zinc/07/49/69/231074969.db2.gz GVGOKUKLOZYEAV-HNNXBMFYSA-N 0 0 335.473 1.039 10 0 EDAERN Cc1ccc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000173993951 231092993 /nfs/dbraw/zinc/09/29/93/231092993.db2.gz JFVQPCZBWAGTSV-OAHLLOKOSA-N 0 0 337.851 1.993 10 0 EDAERN O=S(=O)(c1ccc(F)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000173998307 231094496 /nfs/dbraw/zinc/09/44/96/231094496.db2.gz CDMMYWFDVCDTPN-LBPRGKRZSA-N 0 0 348.827 1.574 10 0 EDAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)c1cccc(-n2ccnc2)c1 ZINC000173968156 231085414 /nfs/dbraw/zinc/08/54/14/231085414.db2.gz PJHIXJLCHUCSJR-LBPRGKRZSA-N 0 0 331.401 1.645 10 0 EDAERN C[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccc(F)c(Cl)c1 ZINC000056353882 214372499 /nfs/dbraw/zinc/37/24/99/214372499.db2.gz LAVAGTVYFDVZGX-CPCISQLKSA-N 0 0 327.743 1.645 10 0 EDAERN CC[C@]1(C)N[C@H](c2ccsc2)N(CCCS(C)(=O)=O)C1=O ZINC000143511052 529415826 /nfs/dbraw/zinc/41/58/26/529415826.db2.gz JLNBKAYAJHFKAW-JSGCOSHPSA-N 0 0 330.475 1.782 10 0 EDAERN Cc1nc(C)c(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)o1 ZINC000174651285 231268882 /nfs/dbraw/zinc/26/88/82/231268882.db2.gz IWVNCXDUEZKOIE-MRXNPFEDSA-N 0 0 329.400 1.783 10 0 EDAERN Cc1ccccc1NC(=O)CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000174785081 231310472 /nfs/dbraw/zinc/31/04/72/231310472.db2.gz LNRSGQZOUMCDRM-MRXNPFEDSA-N 0 0 328.416 1.921 10 0 EDAERN C[C@H](C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1)S(C)(=O)=O ZINC000174860262 231327913 /nfs/dbraw/zinc/32/79/13/231327913.db2.gz IFRXOZDSHHIDMX-YUELXQCFSA-N 0 0 325.430 1.534 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccccc3C)C2=O)n(C)n1 ZINC000174980170 231359522 /nfs/dbraw/zinc/35/95/22/231359522.db2.gz IFVUIKAUTRMOJI-HNNXBMFYSA-N 0 0 326.400 1.962 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)CC3CCOCC3)C2=O)n(C)n1 ZINC000174986798 231360663 /nfs/dbraw/zinc/36/06/63/231360663.db2.gz MALVIWSTFZNTAF-CQSZACIVSA-N 0 0 334.420 1.157 10 0 EDAERN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000189873299 529637761 /nfs/dbraw/zinc/63/77/61/529637761.db2.gz OVQQIAKDLJKPII-LBPRGKRZSA-N 0 0 346.431 1.701 10 0 EDAERN O=C(Nc1ccc(-c2ncon2)cc1)N[C@H]1CCCn2ncnc21 ZINC000175979312 231548846 /nfs/dbraw/zinc/54/88/46/231548846.db2.gz ZIPPPPVRZLRPCX-LBPRGKRZSA-N 0 0 325.332 1.985 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3c(CC)nn(C)c3Cl)CCO2)[nH]1 ZINC000129141559 529700184 /nfs/dbraw/zinc/70/01/84/529700184.db2.gz HBIQMOTWNDMEKY-LBPRGKRZSA-N 0 0 338.843 1.890 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC000181859437 529698732 /nfs/dbraw/zinc/69/87/32/529698732.db2.gz YRIQNNMJYJQDKG-SJORKVTESA-N 0 0 349.475 1.860 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000181186097 529698856 /nfs/dbraw/zinc/69/88/56/529698856.db2.gz QZFQBZCLEPCXCH-KRWDZBQOSA-N 0 0 346.475 1.989 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3cccc(O)c3)CCO2)[nH]1 ZINC000177979217 529699437 /nfs/dbraw/zinc/69/94/37/529699437.db2.gz MAUATMXHVZRZHZ-ZDUSSCGKSA-N 0 0 331.376 1.356 10 0 EDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)[nH]1 ZINC000173739359 529700897 /nfs/dbraw/zinc/70/08/97/529700897.db2.gz RVGSHXUBDVUALV-LBPRGKRZSA-N 0 0 340.380 1.268 10 0 EDAERN COC(=O)[C@H]1C[C@H](Oc2ccc(OC)cc2Br)CN1 ZINC000098089237 219082407 /nfs/dbraw/zinc/08/24/07/219082407.db2.gz DNFAPEBPCQRHKT-GXSJLCMTSA-N 0 0 330.178 1.740 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC000171577772 529760278 /nfs/dbraw/zinc/76/02/78/529760278.db2.gz FEYQQLFVZGBBHZ-CQSZACIVSA-N 0 0 341.477 1.680 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2cc(COC(C)(C)C)on2)C1 ZINC000186864294 529783521 /nfs/dbraw/zinc/78/35/21/529783521.db2.gz UVMQGHRBOORWIP-AWEZNQCLSA-N 0 0 340.424 1.120 10 0 EDAERN Cc1c(C)c2ccc(NC(=O)CSc3nnnn3C)cc2[nH]c1=O ZINC000049472212 214010617 /nfs/dbraw/zinc/01/06/17/214010617.db2.gz CUBJITGQEGTTAU-UHFFFAOYSA-N 0 0 344.400 1.399 10 0 EDAERN CC(C)c1cc(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc21 ZINC000049473202 214009909 /nfs/dbraw/zinc/00/99/09/214009909.db2.gz HDHGKRWPYYGHFG-UHFFFAOYSA-N 0 0 341.367 1.739 10 0 EDAERN COc1ccc(N2CCN(CC(=O)Nc3cccnc3)C2=O)cc1 ZINC000049384349 214003656 /nfs/dbraw/zinc/00/36/56/214003656.db2.gz WWYKVJVWSPCUMV-UHFFFAOYSA-N 0 0 326.356 1.971 10 0 EDAERN COc1ccc(N2CCN(CC(=O)Nc3ncccn3)C2=O)cc1 ZINC000049384366 214003399 /nfs/dbraw/zinc/00/33/99/214003399.db2.gz DQMBUEPIOBLGNB-UHFFFAOYSA-N 0 0 327.344 1.366 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000166715065 529901623 /nfs/dbraw/zinc/90/16/23/529901623.db2.gz ZTDBFNUPLSPQAZ-AWEZNQCLSA-N 0 0 328.372 1.152 10 0 EDAERN COC(=O)c1c2c(sc1NC(=O)C1=COCCO1)CN(C)CC2 ZINC000004281293 210161446 /nfs/dbraw/zinc/16/14/46/210161446.db2.gz JJNKFWPCLHDSLV-UHFFFAOYSA-N 0 0 338.385 1.349 10 0 EDAERN COc1ccc(CNS(=O)(=O)c2cc3n(c2)CCN(C)C3=O)cc1 ZINC000065254661 214855059 /nfs/dbraw/zinc/85/50/59/214855059.db2.gz AFVBRESHCXFTNZ-UHFFFAOYSA-N 0 0 349.412 1.061 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000101580587 219142586 /nfs/dbraw/zinc/14/25/86/219142586.db2.gz OFDHLBFVAKDWEH-SNVBAGLBSA-N 0 0 348.856 1.143 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCCCOCCO)[C@@H]1c1ccccc1 ZINC000181367574 530041811 /nfs/dbraw/zinc/04/18/11/530041811.db2.gz MCHRRRWXWNDBIX-RDJZCZTQSA-N 0 0 334.416 1.111 10 0 EDAERN C[N@@H+]1CCC[C@@H]2CN(c3nnc(SCC(=O)[O-])s3)CC[C@@H]21 ZINC000166766955 530058776 /nfs/dbraw/zinc/05/87/76/530058776.db2.gz PDCAGJQGPNYQNX-ZJUUUORDSA-N 0 0 328.463 1.635 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCCCc3ccccn3)CCO2)c1 ZINC000178422463 232162092 /nfs/dbraw/zinc/16/20/92/232162092.db2.gz FPVFVXMHUKOQFH-QGZVFWFLSA-N 0 0 343.431 1.630 10 0 EDAERN C[C@H]1CN(C(=O)NCCCc2ccccn2)C[C@@H]1N1CCOCC1 ZINC000178433046 232164219 /nfs/dbraw/zinc/16/42/19/232164219.db2.gz MJTGVOKQEFFQCK-RDJZCZTQSA-N 0 0 332.448 1.376 10 0 EDAERN CCNC(=O)c1cc(-c2ccc(OCCOCC)cc2)nc(N)n1 ZINC000066138465 215015671 /nfs/dbraw/zinc/01/56/71/215015671.db2.gz HKIGUPNSEGQEEL-UHFFFAOYSA-N 0 0 330.388 1.891 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)COc2ccccc2C=O)C1 ZINC000066361999 215035270 /nfs/dbraw/zinc/03/52/70/215035270.db2.gz VHGNCPKEGXDBIL-OAHLLOKOSA-N 0 0 332.400 1.785 10 0 EDAERN CC(=O)Nc1ccc2nc(CN3CC[C@@]([NH3+])(C(=O)[O-])C3)ccc2c1 ZINC000067457783 215148097 /nfs/dbraw/zinc/14/80/97/215148097.db2.gz XVMMVSVLPXPYQG-KRWDZBQOSA-N 0 0 328.372 1.181 10 0 EDAERN Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@@H]1c1cnn(C)c1 ZINC000179446130 233040352 /nfs/dbraw/zinc/04/03/52/233040352.db2.gz VZTIMHLKZIHHOB-QGZVFWFLSA-N 0 0 344.463 1.636 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3ccc(O)cc3O)CC2)cn1 ZINC000179484104 233087501 /nfs/dbraw/zinc/08/75/01/233087501.db2.gz GIJURSCMJBENQB-UHFFFAOYSA-N 0 0 344.415 1.662 10 0 EDAERN Cc1nnnn1-c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000042076486 213478290 /nfs/dbraw/zinc/47/82/90/213478290.db2.gz OMVZXUOTAXWEAN-SNVBAGLBSA-N 0 0 340.343 1.321 10 0 EDAERN C[C@H]1COCCN1S(=O)(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000041268878 213437644 /nfs/dbraw/zinc/43/76/44/213437644.db2.gz LDBNNEWOGHQTNO-NSHDSACASA-N 0 0 327.406 1.190 10 0 EDAERN COCCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000041210259 213431922 /nfs/dbraw/zinc/43/19/22/213431922.db2.gz BTIFYHZPKWYZCZ-AWEZNQCLSA-N 0 0 340.445 1.338 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000103942377 219331394 /nfs/dbraw/zinc/33/13/94/219331394.db2.gz FMFMRRAUNGQAKU-HUUCEWRRSA-N 0 0 344.415 1.352 10 0 EDAERN O=C([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)s1 ZINC000040768056 213384802 /nfs/dbraw/zinc/38/48/02/213384802.db2.gz NJOQTGVHJUIGSL-UHFFFAOYSA-N 0 0 332.447 1.601 10 0 EDAERN NC(=O)[C@@]1(Nc2ccccc2Br)CCCS(=O)(=O)C1 ZINC000069139006 215362967 /nfs/dbraw/zinc/36/29/67/215362967.db2.gz AFAMJAOEBRMVDZ-GFCCVEGCSA-N 0 0 347.234 1.294 10 0 EDAERN Cc1nc(N)sc1S(=O)(=O)NC[C@H]1Cc2ccccc2O1 ZINC000069366710 215388862 /nfs/dbraw/zinc/38/88/62/215388862.db2.gz VLFLIIWUBJGCPD-SNVBAGLBSA-N 0 0 325.415 1.316 10 0 EDAERN c1ccc(-n2nnnc2N2CCN(C[C@@H]3CCCCO3)CC2)cc1 ZINC000040511282 213328109 /nfs/dbraw/zinc/32/81/09/213328109.db2.gz PXJZOCGLGYOESY-INIZCTEOSA-N 0 0 328.420 1.353 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181620506 234256285 /nfs/dbraw/zinc/25/62/85/234256285.db2.gz XKJDTXTVRCHTQY-GFCCVEGCSA-N 0 0 344.419 1.545 10 0 EDAERN Cc1ncsc1C(=O)NCCc1ccc(S(N)(=O)=O)s1 ZINC000040222483 213282118 /nfs/dbraw/zinc/28/21/18/213282118.db2.gz JRDGKDRFNIMIDU-UHFFFAOYSA-N 0 0 331.444 1.133 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)C[S@](C)=O)C(C)C ZINC000182816609 234773790 /nfs/dbraw/zinc/77/37/90/234773790.db2.gz BNSALXWWXHHULS-HMFCALDFSA-N 0 0 338.473 1.633 10 0 EDAERN Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000183665493 235188373 /nfs/dbraw/zinc/18/83/73/235188373.db2.gz PQOCHWSUZBGKPO-OAHLLOKOSA-N 0 0 329.404 1.633 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[C@@H]1CCCCO1 ZINC000182861360 540133813 /nfs/dbraw/zinc/13/38/13/540133813.db2.gz DPDURIIWYAQXJK-UONOGXRCSA-N 0 0 332.466 1.266 10 0 EDAERN Cc1ccnc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000184138374 540142433 /nfs/dbraw/zinc/14/24/33/540142433.db2.gz QTESTEJCLQYWRJ-NSHDSACASA-N 0 0 334.401 1.920 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCCOC(C)C)CC1 ZINC000184117164 540142448 /nfs/dbraw/zinc/14/24/48/540142448.db2.gz FDBIJICVNZPFSK-UHFFFAOYSA-N 0 0 337.468 1.289 10 0 EDAERN CCOc1cnc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000187765117 540155924 /nfs/dbraw/zinc/15/59/24/540155924.db2.gz ZXJGWFHRTHIXTC-STQMWFEESA-N 0 0 333.413 1.785 10 0 EDAERN CCN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc(O)c1 ZINC000191574646 540175131 /nfs/dbraw/zinc/17/51/31/540175131.db2.gz PVVCPFNYLBLBOS-HNNXBMFYSA-N 0 0 340.379 1.876 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1)[C@@H]1CCCO1 ZINC000192956861 540181283 /nfs/dbraw/zinc/18/12/83/540181283.db2.gz PQXPBQXUCDNGBY-SCZZXKLOSA-N 0 0 331.294 1.723 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000193541689 540183021 /nfs/dbraw/zinc/18/30/21/540183021.db2.gz LEDACDMTEFXNDZ-VHDGCEQUSA-N 0 0 332.400 1.387 10 0 EDAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193495453 540183233 /nfs/dbraw/zinc/18/32/33/540183233.db2.gz APHDLIBXFFEVQQ-LZLYRXPVSA-N 0 0 345.443 1.225 10 0 EDAERN O=S(=O)(N[C@@H]1COc2ccccc21)c1cnn(CC(F)(F)F)c1 ZINC000184272156 235353196 /nfs/dbraw/zinc/35/31/96/235353196.db2.gz LIXHEPIQGBJSLO-LLVKDONJSA-N 0 0 347.318 1.857 10 0 EDAERN C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1)N1CCOCC1 ZINC000047636550 138123056 /nfs/dbraw/zinc/12/30/56/138123056.db2.gz UPVAYQYOBALRIG-ZDUSSCGKSA-N 0 0 325.840 1.902 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2ccccc2C)C1 ZINC000185322906 235639702 /nfs/dbraw/zinc/63/97/02/235639702.db2.gz GKUDHQBRFSDNPP-UHFFFAOYSA-N 0 0 333.432 1.429 10 0 EDAERN CN1C[C@H](NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)CCC1=O ZINC000074367198 138231897 /nfs/dbraw/zinc/23/18/97/138231897.db2.gz GUBNBBLRWFSXMB-ZACQAIPSSA-N 0 0 345.443 1.905 10 0 EDAERN O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCCC[C@H]1O ZINC000077156017 138251560 /nfs/dbraw/zinc/25/15/60/138251560.db2.gz VDLDQPLOFOTQMH-CZUORRHYSA-N 0 0 329.400 1.454 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCOc1cccc(C(N)=O)c1 ZINC000082978674 138268239 /nfs/dbraw/zinc/26/82/39/138268239.db2.gz YBDSVADYXMSNRW-CQSZACIVSA-N 0 0 343.387 1.106 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000087250771 138271575 /nfs/dbraw/zinc/27/15/75/138271575.db2.gz RHSASURMEJIHGY-NOZJJQNGSA-N 0 0 347.341 1.384 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000081589452 138267275 /nfs/dbraw/zinc/26/72/75/138267275.db2.gz QYXXUALKHRGFBE-ZIAGYGMSSA-N 0 0 347.463 1.965 10 0 EDAERN CN([C@H]1CCSC1)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005281 213189060 /nfs/dbraw/zinc/18/90/60/213189060.db2.gz WBNTUVUZAFIUFP-LBPRGKRZSA-N 0 0 330.500 1.588 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)N2CCc3c2cccc3F)cn1 ZINC000185637462 235712569 /nfs/dbraw/zinc/71/25/69/235712569.db2.gz NZDKJOMRXKAJRZ-HNNXBMFYSA-N 0 0 342.374 1.812 10 0 EDAERN CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000105282032 138301183 /nfs/dbraw/zinc/30/11/83/138301183.db2.gz XKIBIHZDBWTMAZ-NSHDSACASA-N 0 0 340.811 1.152 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000120755301 138316309 /nfs/dbraw/zinc/31/63/09/138316309.db2.gz GMHHIKWFRRUSSJ-DOTOQJQBSA-N 0 0 329.400 1.925 10 0 EDAERN Cc1n[nH]c(C)c1NC(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105910379 138302417 /nfs/dbraw/zinc/30/24/17/138302417.db2.gz JHFLTBZWCSZYMW-UHFFFAOYSA-N 0 0 343.435 1.356 10 0 EDAERN Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(=O)n4[n-]ccc4n3)C2)no1 ZINC000108858405 138305460 /nfs/dbraw/zinc/30/54/60/138305460.db2.gz CIUPQZICOPQMGP-GFCCVEGCSA-N 0 0 328.376 1.169 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)CCc3c(C)noc3C)CC2)no1 ZINC000109923600 138306673 /nfs/dbraw/zinc/30/66/73/138306673.db2.gz JMUFQSDKVBZSFL-UHFFFAOYSA-N 0 0 347.419 1.650 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOc1ccccc1F)CC2 ZINC000114870619 138310799 /nfs/dbraw/zinc/31/07/99/138310799.db2.gz LNUQDHKDWPTMKO-LBPRGKRZSA-N 0 0 332.379 1.880 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCc1c[nH]nc1C)CC2 ZINC000114908068 138310811 /nfs/dbraw/zinc/31/08/11/138310811.db2.gz QTQRWFOUZLHANZ-ZDUSSCGKSA-N 0 0 331.424 1.119 10 0 EDAERN CCOC(=O)N[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)C(C)C ZINC000124228363 138324883 /nfs/dbraw/zinc/32/48/83/138324883.db2.gz AXGMNQPWDPMDIH-OAHLLOKOSA-N 0 0 336.436 1.897 10 0 EDAERN Cc1cc(C)n2nc(C(=O)N3CCC(c4cc[nH]n4)CC3)nc2n1 ZINC000125149498 138332466 /nfs/dbraw/zinc/33/24/66/138332466.db2.gz GRGAQHMHZIHVSS-UHFFFAOYSA-N 0 0 325.376 1.484 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc3ccc(F)cc3nc2C)C1 ZINC000186318886 235875605 /nfs/dbraw/zinc/87/56/05/235875605.db2.gz AAYXNUXVHFAOOK-UHFFFAOYSA-N 0 0 331.347 1.269 10 0 EDAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[C@H](Oc2cccnc2)C1 ZINC000135795326 138428889 /nfs/dbraw/zinc/42/88/89/138428889.db2.gz FLNSVYHMSQOSGQ-AWEZNQCLSA-N 0 0 338.367 1.405 10 0 EDAERN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330117664 283265203 /nfs/dbraw/zinc/26/52/03/283265203.db2.gz XIAIWXKKIJSVMR-HIFRSBDPSA-N 0 0 341.371 1.342 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NCCNC(=O)C(C)C)C(C)C ZINC000036656201 213107289 /nfs/dbraw/zinc/10/72/89/213107289.db2.gz GHCDXJJQRWRZBT-MRXNPFEDSA-N 0 0 347.459 1.638 10 0 EDAERN Cc1cc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)co1 ZINC000187087263 236114447 /nfs/dbraw/zinc/11/44/47/236114447.db2.gz JPKQNNZQPRUTDH-QGZVFWFLSA-N 0 0 344.411 1.786 10 0 EDAERN CO[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1C(N)=S ZINC000070395363 215689382 /nfs/dbraw/zinc/68/93/82/215689382.db2.gz OAKVVMBUCJCBAH-UWVGGRQHSA-N 0 0 332.422 1.306 10 0 EDAERN COCCNC(=O)CCS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000036171740 213073814 /nfs/dbraw/zinc/07/38/14/213073814.db2.gz XFJVJYNZPFTCGT-UHFFFAOYSA-N 0 0 329.418 1.400 10 0 EDAERN COCCN1[C@@H](C)CN(C(=O)c2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000036123323 213069837 /nfs/dbraw/zinc/06/98/37/213069837.db2.gz ZZBSFKVXLFGJHC-KBPBESRZSA-N 0 0 336.432 1.885 10 0 EDAERN CSCCNS(=O)(=O)c1ccc(N)c(Br)c1 ZINC000070601793 215700026 /nfs/dbraw/zinc/70/00/26/215700026.db2.gz RZNRZSDRYALVBF-UHFFFAOYSA-N 0 0 325.253 1.673 10 0 EDAERN COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCN(C)CC1 ZINC000035377112 213022907 /nfs/dbraw/zinc/02/29/07/213022907.db2.gz HGWDZUNTJJNAEG-UHFFFAOYSA-N 0 0 325.796 1.695 10 0 EDAERN Nc1ccc(NC(=O)Cn2ccsc2=O)c(Br)c1 ZINC000071350824 215764961 /nfs/dbraw/zinc/76/49/61/215764961.db2.gz HQLIBMOSYVNTBZ-UHFFFAOYSA-N 0 0 328.191 1.893 10 0 EDAERN CN1C(=O)C[C@@H](Nc2ccccc2I)C1=O ZINC000035180792 213013499 /nfs/dbraw/zinc/01/34/99/213013499.db2.gz DWJHSEGULLYBOQ-SECBINFHSA-N 0 0 330.125 1.460 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000173370501 138670162 /nfs/dbraw/zinc/67/01/62/138670162.db2.gz OYVLUOOGCZHESQ-CHWSQXEVSA-N 0 0 349.435 1.499 10 0 EDAERN COCCN(C[C@H](C)C(=O)OC)C(=O)c1cc(OC)cc(OC)c1 ZINC000071618225 215789549 /nfs/dbraw/zinc/78/95/49/215789549.db2.gz BRQMDCKERUJNMN-LBPRGKRZSA-N 0 0 339.388 1.602 10 0 EDAERN Cc1nc2c(Cl)cc(Cl)cn2c1C(=O)N(CCO)CCO ZINC000071544121 215784990 /nfs/dbraw/zinc/78/49/90/215784990.db2.gz JUPSHVMZAZYJGB-UHFFFAOYSA-N 0 0 332.187 1.376 10 0 EDAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000177074649 138721568 /nfs/dbraw/zinc/72/15/68/138721568.db2.gz IWGQDHTZYUFLOT-GFCCVEGCSA-N 0 0 340.387 1.747 10 0 EDAERN Cc1cnn(CCNC(=O)c2cnn3cc(Br)cnc23)c1 ZINC000179586597 138753935 /nfs/dbraw/zinc/75/39/35/138753935.db2.gz OQLKDCMEUAZQPE-UHFFFAOYSA-N 0 0 349.192 1.427 10 0 EDAERN Cc1cnc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)o1 ZINC000173697198 237262889 /nfs/dbraw/zinc/26/28/89/237262889.db2.gz SBZQESVJKRQTLC-INIZCTEOSA-N 0 0 331.416 1.541 10 0 EDAERN Cc1cccn2c(CC(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)cnc12 ZINC000072144567 216030390 /nfs/dbraw/zinc/03/03/90/216030390.db2.gz WAYUQDWKNZKOKH-KRWDZBQOSA-N 0 0 328.372 1.238 10 0 EDAERN Cc1ccc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1C ZINC000177245465 237378304 /nfs/dbraw/zinc/37/83/04/237378304.db2.gz NBKKXRIWPHVHEM-SJLPKXTDSA-N 0 0 331.460 1.894 10 0 EDAERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177531543 237390279 /nfs/dbraw/zinc/39/02/79/237390279.db2.gz LXBDRBRQFHMVBT-OAHLLOKOSA-N 0 0 339.399 1.820 10 0 EDAERN Cc1cc(C(=O)NC[C@@]2(COc3ccccc3)C[C@@H](O)[C@@H](O)C2)no1 ZINC000107430586 219779743 /nfs/dbraw/zinc/77/97/43/219779743.db2.gz FHLOUJQUMMFCPI-ALXJQNPVSA-N 0 0 346.383 1.294 10 0 EDAERN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000133045450 283554794 /nfs/dbraw/zinc/55/47/94/283554794.db2.gz DYGKXCAJKDNCDW-OAGGEKHMSA-N 0 0 333.432 1.938 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N(CCO)C1CC1 ZINC000037929775 213173637 /nfs/dbraw/zinc/17/36/37/213173637.db2.gz DTFMAIKVHXLKRD-UHFFFAOYSA-N 0 0 335.223 1.177 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000185186749 138802130 /nfs/dbraw/zinc/80/21/30/138802130.db2.gz CMGLWSKAUYYMCR-ZDUSSCGKSA-N 0 0 348.353 1.891 10 0 EDAERN O=c1c2nnc3ccnn3c2ncn1CCc1c[nH]c2ccccc12 ZINC000072449716 216239126 /nfs/dbraw/zinc/23/91/26/216239126.db2.gz KDTWYTZIZTUGQF-UHFFFAOYSA-N 0 0 331.339 1.558 10 0 EDAERN CCOc1ncccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190145538 238250289 /nfs/dbraw/zinc/25/02/89/238250289.db2.gz OVAOFJAKCMFRKF-CQSZACIVSA-N 0 0 343.387 1.896 10 0 EDAERN Cc1nc2nnc(C(=O)N3CCN(c4ccccc4)CC3)c(C)n2n1 ZINC000072452881 216239450 /nfs/dbraw/zinc/23/94/50/216239450.db2.gz DPBXCQBOAXAJKK-UHFFFAOYSA-N 0 0 337.387 1.099 10 0 EDAERN COCc1nc2ncc3c(ccn(-c4ccc(F)cc4)c3=O)n2n1 ZINC000072452295 216240180 /nfs/dbraw/zinc/24/01/80/216240180.db2.gz XPDGJFYACBRKGM-UHFFFAOYSA-N 0 0 325.303 1.714 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(OC(F)F)n(C)n1 ZINC000185820508 138809124 /nfs/dbraw/zinc/80/91/24/138809124.db2.gz PFOVOQIIDNJFRD-QMMMGPOBSA-N 0 0 340.334 1.440 10 0 EDAERN Cc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2cccn(C)c2=O)o1 ZINC000190211881 238301394 /nfs/dbraw/zinc/30/13/94/238301394.db2.gz PUMYFZNFPRFQPE-CQSZACIVSA-N 0 0 343.383 1.979 10 0 EDAERN O=C(NCC1([C@H](O)c2ccccc2)CC1)N[C@@H]1CCCn2ncnc21 ZINC000130269641 223138695 /nfs/dbraw/zinc/13/86/95/223138695.db2.gz OZGBOJSCCSFGJW-HUUCEWRRSA-N 0 0 341.415 1.926 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000130521116 223159607 /nfs/dbraw/zinc/15/96/07/223159607.db2.gz YSZLGPVOXYHUQN-CHWSQXEVSA-N 0 0 347.390 1.940 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C ZINC000074395697 216483746 /nfs/dbraw/zinc/48/37/46/216483746.db2.gz JHGXGBHQZZXLEN-QGZVFWFLSA-N 0 0 349.479 1.256 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NCc2ccccc2F)C1 ZINC000189331665 138868068 /nfs/dbraw/zinc/86/80/68/138868068.db2.gz GJCAJLPRVZNNQB-DZGCQCFKSA-N 0 0 348.378 1.595 10 0 EDAERN Cc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ccc1C(=O)N(C)C ZINC000132483093 223335673 /nfs/dbraw/zinc/33/56/73/223335673.db2.gz PDOVZQMGRJQYAL-ZDUSSCGKSA-N 0 0 342.403 1.425 10 0 EDAERN O=C(CC1OCCCO1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000189375301 138869781 /nfs/dbraw/zinc/86/97/81/138869781.db2.gz MIUHAMDAWKGGOQ-BXUZGUMPSA-N 0 0 327.327 1.752 10 0 EDAERN CS(=O)(=O)Nc1cccc(-c2cnc3cccc(C(N)=O)c3n2)c1 ZINC000211809815 241085871 /nfs/dbraw/zinc/08/58/71/241085871.db2.gz VPNCTPQPHWONKI-UHFFFAOYSA-N 0 0 342.380 1.767 10 0 EDAERN O=S(=O)(c1ccccc1I)N1CC=CC1 ZINC000021998521 212268446 /nfs/dbraw/zinc/26/84/46/212268446.db2.gz XHNSVVSHWPQOND-UHFFFAOYSA-N 0 0 335.166 1.852 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000075531190 216631894 /nfs/dbraw/zinc/63/18/94/216631894.db2.gz RRNDKMOZQJJWQC-FZMZJTMJSA-N 0 0 328.409 1.751 10 0 EDAERN Cc1ccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000227119531 242121646 /nfs/dbraw/zinc/12/16/46/242121646.db2.gz NSNDGRCQILSQCU-DLBZAZTESA-N 0 0 345.420 1.800 10 0 EDAERN NC(=S)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CCO)c1 ZINC000021518035 212227694 /nfs/dbraw/zinc/22/76/94/212227694.db2.gz YDWFCRFDNWRGNE-GFCCVEGCSA-N 0 0 328.459 1.246 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CO)Cc1ccc(C)cc1 ZINC000190242967 138887900 /nfs/dbraw/zinc/88/79/00/138887900.db2.gz CHLHVLBVLSWJLT-JKSUJKDBSA-N 0 0 343.431 1.633 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCO1 ZINC000191081229 138904406 /nfs/dbraw/zinc/90/44/06/138904406.db2.gz OKZPWZDOANUFRJ-SCZZXKLOSA-N 0 0 331.294 1.723 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cccc(OCC(F)F)c1 ZINC000191342030 138911232 /nfs/dbraw/zinc/91/12/32/138911232.db2.gz XIEDUZAKVNMBNW-LLVKDONJSA-N 0 0 341.358 1.751 10 0 EDAERN COCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000020580545 212149760 /nfs/dbraw/zinc/14/97/60/212149760.db2.gz UUMMDXFZJDIBEG-JTQLQIEISA-N 0 0 332.385 1.644 10 0 EDAERN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000020370862 212123406 /nfs/dbraw/zinc/12/34/06/212123406.db2.gz UXBRNCMSGCTHBP-CYBMUJFWSA-N 0 0 333.388 1.151 10 0 EDAERN Cc1nc2sc3c(c2c(=O)n1CC(=O)N1CCOCC1)CCCC3 ZINC000020156726 212107415 /nfs/dbraw/zinc/10/74/15/212107415.db2.gz FQARXFWCPOWXRK-UHFFFAOYSA-N 0 0 347.440 1.504 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCCN3CCOC3=O)C2)c1 ZINC000171907052 227356500 /nfs/dbraw/zinc/35/65/00/227356500.db2.gz WHFNLDTYQNBZFG-CQSZACIVSA-N 0 0 335.408 1.380 10 0 EDAERN Cc1cnn(CCNC(=O)c2nnn(Cc3ccc(F)cc3)c2C)c1 ZINC000192588958 138948512 /nfs/dbraw/zinc/94/85/12/138948512.db2.gz BKSGJIPBNFTJDJ-UHFFFAOYSA-N 0 0 342.378 1.709 10 0 EDAERN CCN(C(=O)[C@H]1C[C@@H](O)CN1C(C)=O)[C@@H](C)c1cccc(OC)c1 ZINC000192682911 138951227 /nfs/dbraw/zinc/95/12/27/138951227.db2.gz CEYACVUHCROXJT-XGWLTEMNSA-N 0 0 334.416 1.586 10 0 EDAERN COc1cccc(C(C)(C)CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)c1 ZINC000193649568 138975086 /nfs/dbraw/zinc/97/50/86/138975086.db2.gz KGNBZKGGYCMOMI-GDBMZVCRSA-N 0 0 334.416 1.071 10 0 EDAERN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000077939033 217003368 /nfs/dbraw/zinc/00/33/68/217003368.db2.gz RXTBGLBPOQOXJK-ZFWWWQNUSA-N 0 0 348.447 1.534 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000195014781 139004729 /nfs/dbraw/zinc/00/47/29/139004729.db2.gz CZCIPOGYOAVHNQ-DGCLKSJQSA-N 0 0 345.226 1.934 10 0 EDAERN CC(C)n1nnnc1CNc1ccccc1C(=O)N1CCC[C@@H](O)C1 ZINC000194997519 139004077 /nfs/dbraw/zinc/00/40/77/139004077.db2.gz SBLYBRBRDIGQDC-CYBMUJFWSA-N 0 0 344.419 1.463 10 0 EDAERN CCc1nnc(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C ZINC000195063843 139006188 /nfs/dbraw/zinc/00/61/88/139006188.db2.gz YKNLQTUAHPMWCI-GFCCVEGCSA-N 0 0 332.404 1.444 10 0 EDAERN C[C@@H](NC(=O)c1cc(N(C)C)ccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000195243989 139011166 /nfs/dbraw/zinc/01/11/66/139011166.db2.gz CQTQOQXUFQHYDE-LLVKDONJSA-N 0 0 348.428 1.286 10 0 EDAERN CSC1(CNC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000195146021 139007881 /nfs/dbraw/zinc/00/78/81/139007881.db2.gz GATZICMVAFETAF-INIZCTEOSA-N 0 0 349.500 1.943 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000195205303 139010213 /nfs/dbraw/zinc/01/02/13/139010213.db2.gz DFXDJLVMJFEMMT-HNNXBMFYSA-N 0 0 346.408 1.729 10 0 EDAERN COc1ccccc1OCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195264807 139011806 /nfs/dbraw/zinc/01/18/06/139011806.db2.gz KKVBQZVQTSTWJY-CYBMUJFWSA-N 0 0 344.415 1.920 10 0 EDAERN COCCCNC(=O)[C@H](C)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000195386212 139015731 /nfs/dbraw/zinc/01/57/31/139015731.db2.gz VFHADNNKRHVHLS-STQMWFEESA-N 0 0 327.450 1.366 10 0 EDAERN Cc1csc([C@@H]2CN(CC(=O)NC(=O)NC(C)(C)C)CCO2)n1 ZINC000195393040 139015755 /nfs/dbraw/zinc/01/57/55/139015755.db2.gz OFJRMJYXUKCWGQ-NSHDSACASA-N 0 0 340.449 1.449 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000195519821 139019520 /nfs/dbraw/zinc/01/95/20/139019520.db2.gz UAEHZAMMAOXIFV-BETUJISGSA-N 0 0 327.450 1.322 10 0 EDAERN CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000236919849 139035121 /nfs/dbraw/zinc/03/51/21/139035121.db2.gz AGWHJVMVFBUXAM-HZPDHXFCSA-N 0 0 347.459 1.561 10 0 EDAERN O=C(Nc1ccc(OC(F)F)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000078988272 217166857 /nfs/dbraw/zinc/16/68/57/217166857.db2.gz NCMOECOZVACJER-GXFFZTMASA-N 0 0 342.342 1.894 10 0 EDAERN COCC[NH2+]CCNC(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000237267269 139046078 /nfs/dbraw/zinc/04/60/78/139046078.db2.gz ZERYADQMKSIKQA-UHFFFAOYSA-N 0 0 340.851 1.740 10 0 EDAERN COc1c(C)cc(CN(C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1C ZINC000237297416 139046859 /nfs/dbraw/zinc/04/68/59/139046859.db2.gz AEGGBBWSZCNLLI-CQSZACIVSA-N 0 0 342.461 1.032 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000253556699 291548196 /nfs/dbraw/zinc/54/81/96/291548196.db2.gz FAJDQIWCHOEUFC-AVGNSLFASA-N 0 0 333.388 1.745 10 0 EDAERN CC(C)CS(=O)(=O)CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110885566 220076033 /nfs/dbraw/zinc/07/60/33/220076033.db2.gz RMPBBJJUMFDYJU-LLVKDONJSA-N 0 0 332.447 1.114 10 0 EDAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 ZINC000111361756 220146315 /nfs/dbraw/zinc/14/63/15/220146315.db2.gz SSRMOXJCGCLGIS-CQSZACIVSA-N 0 0 337.449 1.568 10 0 EDAERN O=C(CNC(=O)c1cccs1)N1CCO[C@@H](c2nccs2)C1 ZINC000111620327 220172696 /nfs/dbraw/zinc/17/26/96/220172696.db2.gz QRDJVVKGCUOSQI-SNVBAGLBSA-N 0 0 337.426 1.535 10 0 EDAERN CC(C)Oc1ncccc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111727493 220186651 /nfs/dbraw/zinc/18/66/51/220186651.db2.gz UVFDURIGYJAPFG-AWEZNQCLSA-N 0 0 345.403 1.998 10 0 EDAERN [NH3+]CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237992265 139065880 /nfs/dbraw/zinc/06/58/80/139065880.db2.gz ADHZUQLNQZFMKL-UHFFFAOYSA-N 0 0 331.594 1.479 10 0 EDAERN COCCCCNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000111820883 220198281 /nfs/dbraw/zinc/19/82/81/220198281.db2.gz JKHROWABCVPUMU-UHFFFAOYSA-N 0 0 326.466 1.705 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1OC ZINC000112063558 220235792 /nfs/dbraw/zinc/23/57/92/220235792.db2.gz XKCWLYPHHJEYTE-HNNXBMFYSA-N 0 0 345.399 1.750 10 0 EDAERN COC(=O)c1ccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000112064507 220237446 /nfs/dbraw/zinc/23/74/46/220237446.db2.gz CNEBQLQQEGADFA-INIZCTEOSA-N 0 0 343.383 1.519 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)CCC(C)C)CC2)n1 ZINC000112093336 220242153 /nfs/dbraw/zinc/24/21/53/220242153.db2.gz HVMCYUFWUWUDQV-CYBMUJFWSA-N 0 0 344.481 1.687 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccs3)CCO2)c1 ZINC000112094176 220242193 /nfs/dbraw/zinc/24/21/93/220242193.db2.gz LMFVMFZVFOAJEQ-LBPRGKRZSA-N 0 0 327.431 1.343 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cccc(C(N)=O)c3)CCO2)c1 ZINC000112103942 220243014 /nfs/dbraw/zinc/24/30/14/220243014.db2.gz UVGZAGRUGZFLCS-OAHLLOKOSA-N 0 0 343.387 1.223 10 0 EDAERN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000246063273 139093472 /nfs/dbraw/zinc/09/34/72/139093472.db2.gz RIDWSZAYVRGPLI-JFIYKMOQSA-N 0 0 331.460 1.881 10 0 EDAERN COc1ccccc1N1CC[C@H](N2CCC[C@@H](NC(C)=O)C2)C1=O ZINC000246266703 139101746 /nfs/dbraw/zinc/10/17/46/139101746.db2.gz RNSAILLZTNDFQG-ZBFHGGJFSA-N 0 0 331.416 1.401 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000246310175 139103664 /nfs/dbraw/zinc/10/36/64/139103664.db2.gz YGWJHNPCVJPNKY-HOTGVXAUSA-N 0 0 325.497 1.460 10 0 EDAERN COC(=O)[C@H]1CCCN1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246414607 139107488 /nfs/dbraw/zinc/10/74/88/139107488.db2.gz SDBHHRRLMYEFNZ-HUUCEWRRSA-N 0 0 327.808 1.855 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246588240 139113917 /nfs/dbraw/zinc/11/39/17/139113917.db2.gz GMQHZJLYGQQWNA-IINYFYTJSA-N 0 0 345.852 1.633 10 0 EDAERN COCCCS(=O)(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246813872 139122655 /nfs/dbraw/zinc/12/26/55/139122655.db2.gz TZZBXZMGGOWYIM-FZMZJTMJSA-N 0 0 335.372 1.439 10 0 EDAERN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O)C2=O ZINC000246952042 139128205 /nfs/dbraw/zinc/12/82/05/139128205.db2.gz KBTSZQNFOIJGKA-XJKCOSOUSA-N 0 0 344.411 1.647 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccccc1F ZINC000088786946 217769038 /nfs/dbraw/zinc/76/90/38/217769038.db2.gz SPXVFFUJFFDWSR-CYBMUJFWSA-N 0 0 338.408 1.934 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000089355655 217788480 /nfs/dbraw/zinc/78/84/80/217788480.db2.gz KCDCAPGOROXCKA-VXGBXAGGSA-N 0 0 347.198 1.130 10 0 EDAERN O=C(c1cccs1)N1CCN2C(=O)c3ccccc3NC(=O)[C@H]2C1 ZINC000004235902 296267886 /nfs/dbraw/zinc/26/78/86/296267886.db2.gz QZZKVJYTVSXNON-CYBMUJFWSA-N 0 0 341.392 1.667 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247371283 139146245 /nfs/dbraw/zinc/14/62/45/139146245.db2.gz UTNRBTKEZBHKKN-LZLYRXPVSA-N 0 0 342.443 1.850 10 0 EDAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccncc1 ZINC000012308807 211341206 /nfs/dbraw/zinc/34/12/06/211341206.db2.gz QRHGUTNEKBJXHU-KRWDZBQOSA-N 0 0 338.411 1.089 10 0 EDAERN CCN(CCO)C(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248367509 139160784 /nfs/dbraw/zinc/16/07/84/139160784.db2.gz UDDMRILGFJANMP-UONOGXRCSA-N 0 0 341.477 1.534 10 0 EDAERN CC[C@H](C)NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000012023123 211279775 /nfs/dbraw/zinc/27/97/75/211279775.db2.gz ZMKWRMJQGZCAHF-VIFPVBQESA-N 0 0 344.820 1.935 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@](C)(O)c1cc(C)oc1C ZINC000248647471 139170066 /nfs/dbraw/zinc/17/00/66/139170066.db2.gz TWDSDDUJXCMVLO-SJLPKXTDSA-N 0 0 338.448 1.721 10 0 EDAERN COc1ccccc1COC1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000091819848 218071059 /nfs/dbraw/zinc/07/10/59/218071059.db2.gz ZVPCNTKCEPTONA-AWEZNQCLSA-N 0 0 332.400 1.339 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000091782889 218066174 /nfs/dbraw/zinc/06/61/74/218066174.db2.gz WEYGAIGXHGTPAY-MFKMUULPSA-N 0 0 344.333 1.912 10 0 EDAERN C[N@@H+]1CC[C@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@]2(C(=O)[O-])C1 ZINC000091965042 218095726 /nfs/dbraw/zinc/09/57/26/218095726.db2.gz XOCSJJFQQZXIRV-GTNSWQLSSA-N 0 0 333.388 1.032 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000248756643 139174301 /nfs/dbraw/zinc/17/43/01/139174301.db2.gz TYCCGUJBNRJUGD-QEJZJMRPSA-N 0 0 349.431 1.903 10 0 EDAERN CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 ZINC000009781161 211123984 /nfs/dbraw/zinc/12/39/84/211123984.db2.gz LBCPXFKUSYJDLD-FZMZJTMJSA-N 0 0 336.363 1.498 10 0 EDAERN COc1cc(F)cc(CNC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000094018277 218261071 /nfs/dbraw/zinc/26/10/71/218261071.db2.gz GLSALHYGRGNEJA-LBPRGKRZSA-N 0 0 325.384 1.354 10 0 EDAERN Cc1cc(C)nc(S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095089804 218279164 /nfs/dbraw/zinc/27/91/64/218279164.db2.gz ZPABYUIYVPQBLA-GFCCVEGCSA-N 0 0 341.433 1.877 10 0 EDAERN COCCNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O ZINC000008907651 211016696 /nfs/dbraw/zinc/01/66/96/211016696.db2.gz JUUBHCSPYQFHPN-UHFFFAOYSA-N 0 0 340.335 1.569 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CC[C@@H]3CC[C@@H](C)O3)C2=O)n(C)n1 ZINC000253550448 139206944 /nfs/dbraw/zinc/20/69/44/139206944.db2.gz RYBZMDRAOQRGOP-ILXRZTDVSA-N 0 0 348.447 1.688 10 0 EDAERN Cc1ccc(-n2[n-]c(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc2=O)cc1 ZINC000261721354 139220545 /nfs/dbraw/zinc/22/05/45/139220545.db2.gz CJXPXGNWJDKHEX-HNNXBMFYSA-N 0 0 328.416 1.673 10 0 EDAERN Fc1cnc(N2CCO[C@]3(C2)COCCN(c2cccnc2)C3)nc1 ZINC000096076853 218576040 /nfs/dbraw/zinc/57/60/40/218576040.db2.gz ZQGPXRUVLUKQNI-QGZVFWFLSA-N 0 0 345.378 1.123 10 0 EDAERN CS(=O)(=O)N1CCO[C@]2(CCC[C@@H]2COc2cccnc2)C1 ZINC000096160937 218636751 /nfs/dbraw/zinc/63/67/51/218636751.db2.gz JQWWHHOZUMVQKN-UKRRQHHQSA-N 0 0 326.418 1.291 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1Cc2ccccc2C1 ZINC000152881622 224025646 /nfs/dbraw/zinc/02/56/46/224025646.db2.gz DGVZPVFSXQKSAS-CQSZACIVSA-N 0 0 327.388 1.985 10 0 EDAERN COCCN1CCN([C@@H]2CCN(c3ccccc3OC)C2=O)C[C@H]1C ZINC000151054802 285050787 /nfs/dbraw/zinc/05/07/87/285050787.db2.gz WVTDPFZINLCLAN-NVXWUHKLSA-N 0 0 347.459 1.453 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2O)ncn1 ZINC000174745252 533048640 /nfs/dbraw/zinc/04/86/40/533048640.db2.gz YEBVXEHVSMRUDB-GFCCVEGCSA-N 0 0 327.388 1.623 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)SC)ncn1 ZINC000129117729 533051085 /nfs/dbraw/zinc/05/10/85/533051085.db2.gz GNPZIIXCXRZRSK-NEPJUHHUSA-N 0 0 338.481 1.538 10 0 EDAERN CSc1nnc([C@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)n1C ZINC000005001582 210357835 /nfs/dbraw/zinc/35/78/35/210357835.db2.gz CILPBNNIOPYIIV-QWHCGFSZSA-N 0 0 337.493 1.932 10 0 EDAERN C[C@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1cccc(O)c1 ZINC000112457591 220331132 /nfs/dbraw/zinc/33/11/32/220331132.db2.gz ZXEQCSBWPCJQCT-XJKSGUPXSA-N 0 0 330.388 1.760 10 0 EDAERN C[C@H](Oc1ccc(I)cc1)C(=O)NC(N)=O ZINC000007034727 208573046 /nfs/dbraw/zinc/57/30/46/208573046.db2.gz GPQJNGFVDQVCSM-LURJTMIESA-N 0 0 334.113 1.253 10 0 EDAERN COc1ccsc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132658819 533099686 /nfs/dbraw/zinc/09/96/86/533099686.db2.gz KERGLRVTWYTLIP-GFCCVEGCSA-N 0 0 340.426 1.994 10 0 EDAERN O=C(CCCOc1ccc(F)cc1F)N[C@@H]1CCc2ncnn2C1 ZINC000112648806 220362595 /nfs/dbraw/zinc/36/25/95/220362595.db2.gz CZLOQJZORNVTHB-GFCCVEGCSA-N 0 0 336.342 1.847 10 0 EDAERN Cc1c(C(=O)N[C@H]2CCc3ncnn3C2)cnn1-c1ccccc1C ZINC000112657850 220366378 /nfs/dbraw/zinc/36/63/78/220366378.db2.gz RVWYDGYXKIMIAN-AWEZNQCLSA-N 0 0 336.399 1.825 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000112660631 220367093 /nfs/dbraw/zinc/36/70/93/220367093.db2.gz NFOKYZHHOHZMTR-GXTWGEPZSA-N 0 0 329.335 1.041 10 0 EDAERN COc1cccc2c1OCC(C(=O)N[C@@H]1CCc3ncnn3C1)=C2 ZINC000112662306 220368888 /nfs/dbraw/zinc/36/88/88/220368888.db2.gz STJKRFHSMNTEFT-CYBMUJFWSA-N 0 0 326.356 1.194 10 0 EDAERN O=C(NCCCN1CCc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000112743140 220394317 /nfs/dbraw/zinc/39/43/17/220394317.db2.gz BXPZFRPMAINSSA-OAHLLOKOSA-N 0 0 340.431 1.345 10 0 EDAERN CC(C)(C)c1csc(CNC(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000112749227 220396867 /nfs/dbraw/zinc/39/68/67/220396867.db2.gz WMLUVJVKHQMFBR-JTQLQIEISA-N 0 0 334.449 1.846 10 0 EDAERN COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(Br)cc1 ZINC000177830527 533187283 /nfs/dbraw/zinc/18/72/83/533187283.db2.gz TZLFEUJIPZSQED-MRVPVSSYSA-N 0 0 336.207 2.000 10 0 EDAERN O=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000115381600 220839173 /nfs/dbraw/zinc/83/91/73/220839173.db2.gz TZBOSIGCKBHHIB-GJZGRUSLSA-N 0 0 349.431 1.711 10 0 EDAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@@H]1c1ccco1)c2=O ZINC000116041887 220926185 /nfs/dbraw/zinc/92/61/85/220926185.db2.gz OZEDJTNPODRIDB-GFCCVEGCSA-N 0 0 327.344 1.087 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CC ZINC000116899276 221008183 /nfs/dbraw/zinc/00/81/83/221008183.db2.gz SBWCQKIVWRRCAB-HNNXBMFYSA-N 0 0 326.462 1.808 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCN(CCOCC)[C@H](CC)C1 ZINC000116898891 221008221 /nfs/dbraw/zinc/00/82/21/221008221.db2.gz CHRFKLVCEBZDSZ-OAHLLOKOSA-N 0 0 335.514 1.396 10 0 EDAERN O=C(NCc1nccs1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117035468 221025382 /nfs/dbraw/zinc/02/53/82/221025382.db2.gz UGUAJCWNRLHPIT-OAHLLOKOSA-N 0 0 346.456 1.704 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cccc(C(N)=O)c2)C[C@H]1C ZINC000117397746 221060114 /nfs/dbraw/zinc/06/01/14/221060114.db2.gz GBPFILQFHUFNRX-CYBMUJFWSA-N 0 0 334.420 1.360 10 0 EDAERN COCCN1CCN(C(=O)CCc2nc(-c3ccco3)no2)C[C@@H]1C ZINC000117291369 221045327 /nfs/dbraw/zinc/04/53/27/221045327.db2.gz HXBDBCPTZLHJTC-ZDUSSCGKSA-N 0 0 348.403 1.441 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)C[C@@H]1C ZINC000117494642 221072352 /nfs/dbraw/zinc/07/23/52/221072352.db2.gz YCHMTPUGRPPGER-HOTGVXAUSA-N 0 0 347.459 1.915 10 0 EDAERN COCCN1CCN(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000117478876 221068778 /nfs/dbraw/zinc/06/87/78/221068778.db2.gz QZNQESGQXRWGJM-GVDBMIGSSA-N 0 0 341.496 1.944 10 0 EDAERN Cc1cnn(CCNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000117810858 221092130 /nfs/dbraw/zinc/09/21/30/221092130.db2.gz UHHJZUHCZMMLLQ-UHFFFAOYSA-N 0 0 339.399 1.567 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3ncsc3c2)c1 ZINC000118133914 221128586 /nfs/dbraw/zinc/12/85/86/221128586.db2.gz CFCKQLHXPRSRDB-UHFFFAOYSA-N 0 0 329.385 1.556 10 0 EDAERN Cn1nccc1C1CCN(C(=O)NCCCN2CCCC2=O)CC1 ZINC000154820069 224310559 /nfs/dbraw/zinc/31/05/59/224310559.db2.gz OSOUVDPSVYBFHU-UHFFFAOYSA-N 0 0 333.436 1.322 10 0 EDAERN COCCN1CCN(C(=O)NCC2(CCOC)CCCC2)C[C@H]1C ZINC000119091006 221241956 /nfs/dbraw/zinc/24/19/56/221241956.db2.gz XLUFOHFTIZRGAF-MRXNPFEDSA-N 0 0 341.496 1.945 10 0 EDAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000119260165 221278877 /nfs/dbraw/zinc/27/88/77/221278877.db2.gz GICJPSYNUFZZIO-RYUDHWBXSA-N 0 0 337.424 1.706 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000119235068 221273379 /nfs/dbraw/zinc/27/33/79/221273379.db2.gz DHRWLSGQJKRCFW-CYBMUJFWSA-N 0 0 348.230 1.808 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000119281650 221284615 /nfs/dbraw/zinc/28/46/15/221284615.db2.gz YIWAKMKQSCMMEX-AWEZNQCLSA-N 0 0 348.428 1.993 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cc(-c2nccn2C)[nH]n1)C(C)C ZINC000119392035 221310461 /nfs/dbraw/zinc/31/04/61/221310461.db2.gz REBSOXBMXIDWSU-OAHLLOKOSA-N 0 0 346.435 1.936 10 0 EDAERN CC(C)OC(=O)[C@H](C)CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119496457 221333008 /nfs/dbraw/zinc/33/30/08/221333008.db2.gz AQMOVMUXGLXGLO-CKEIUWERSA-N 0 0 326.437 1.911 10 0 EDAERN CNC(=O)COc1cccc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000119856934 221418534 /nfs/dbraw/zinc/41/85/34/221418534.db2.gz CRLYDRSXDTWQIC-SJORKVTESA-N 0 0 346.427 1.524 10 0 EDAERN COC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C(=O)OC ZINC000155198023 224374790 /nfs/dbraw/zinc/37/47/90/224374790.db2.gz GCKZQKHKWZQDFS-UVWXRNBGSA-N 0 0 327.327 1.763 10 0 EDAERN CC(=O)NCC(=O)N1CC[C@@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC000253493744 257658745 /nfs/dbraw/zinc/65/87/45/257658745.db2.gz VDUDNZODTVXESW-QZTJIDSGSA-N 0 0 330.428 1.761 10 0 EDAERN C[C@@H]1CC[C@@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccccc21 ZINC000156326518 224611946 /nfs/dbraw/zinc/61/19/46/224611946.db2.gz HJEJOYLHPAPWTC-BXUZGUMPSA-N 0 0 330.388 1.476 10 0 EDAERN COc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000164053249 533355845 /nfs/dbraw/zinc/35/58/45/533355845.db2.gz LVVWNWLBAXNYED-OAHLLOKOSA-N 0 0 344.415 1.999 10 0 EDAERN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000171663423 533439529 /nfs/dbraw/zinc/43/95/29/533439529.db2.gz LBDUWWBSEMFEQB-ZDUSSCGKSA-N 0 0 334.401 1.159 10 0 EDAERN COC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccccc1Br ZINC000181569093 533530740 /nfs/dbraw/zinc/53/07/40/533530740.db2.gz HILULDOULGOFNR-ZJUUUORDSA-N 0 0 343.221 1.777 10 0 EDAERN C[C@@H](CC[S@@](C)=O)NC(=O)c1sc(NC2CCC2)nc1N ZINC000163723651 533651218 /nfs/dbraw/zinc/65/12/18/533651218.db2.gz AJIALTIBVVNPPQ-PPRQPISWSA-N 0 0 330.479 1.577 10 0 EDAERN CONS(=O)(=O)c1c(C)cc(N2CCCCS2(=O)=O)cc1C ZINC000062319632 132436322 /nfs/dbraw/zinc/43/63/22/132436322.db2.gz HRFJNWFMTGUGRE-UHFFFAOYSA-N 0 0 348.446 1.073 10 0 EDAERN Cc1cc(CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)no1 ZINC000062513238 132805471 /nfs/dbraw/zinc/80/54/71/132805471.db2.gz VBKZUQJUPBGCBP-UHFFFAOYSA-N 0 0 349.412 1.413 10 0 EDAERN O=C(NCc1n[nH]c(=O)[n-]1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000333135656 141270104 /nfs/dbraw/zinc/27/01/04/141270104.db2.gz XPWCFVSWUYKYLV-RDTXWAMCSA-N 0 0 341.415 1.429 10 0 EDAERN COCCn1cc2c(n1)[C@@H](NC(=O)N(C)CC1CC(O)C1)CCC2 ZINC000333343785 141302651 /nfs/dbraw/zinc/30/26/51/141302651.db2.gz PSUFIIAVSJILMA-ZALBZXLWSA-N 0 0 336.436 1.319 10 0 EDAERN O=C(Cn1ncc(=O)c2ccccc21)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000333449464 141318748 /nfs/dbraw/zinc/31/87/48/141318748.db2.gz LLHOPLLLYCICDF-UONOGXRCSA-N 0 0 327.384 1.282 10 0 EDAERN COC[C@@H]1CCCCN1c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000333740394 141370525 /nfs/dbraw/zinc/37/05/25/141370525.db2.gz VSMVNTXDZQZAOY-AWEZNQCLSA-N 0 0 339.461 1.871 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N2CCC(C)(O)CC2)C12CCOCC2 ZINC000185677718 286478529 /nfs/dbraw/zinc/47/85/29/286478529.db2.gz DABADDHKMJOPLP-KGLIPLIRSA-N 0 0 326.437 1.517 10 0 EDAERN CCOc1ncccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171398999 286588324 /nfs/dbraw/zinc/58/83/24/286588324.db2.gz NKQUMKJZPQMMNI-CQSZACIVSA-N 0 0 343.387 1.516 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177714720 286694610 /nfs/dbraw/zinc/69/46/10/286694610.db2.gz RYSGFHHSVYFQJB-CYBMUJFWSA-N 0 0 348.428 1.645 10 0 EDAERN C[C@H](C(=O)Nc1ccc(NC2CCOCC2)cc1)N1CCN(C)CC1 ZINC000328736916 161605210 /nfs/dbraw/zinc/60/52/10/161605210.db2.gz LKZVXJMYXDUHGZ-OAHLLOKOSA-N 0 0 346.475 1.852 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000079298760 287299786 /nfs/dbraw/zinc/29/97/86/287299786.db2.gz ZICGQPXMJAWWLQ-ZDUSSCGKSA-N 0 0 338.429 1.221 10 0 EDAERN CCNC(=O)c1cccc(CNC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000079555296 287301048 /nfs/dbraw/zinc/30/10/48/287301048.db2.gz SMXZTDYDYUSYBJ-INIZCTEOSA-N 0 0 346.431 1.246 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000081589756 287314076 /nfs/dbraw/zinc/31/40/76/287314076.db2.gz PHLFXAFGWRGMKK-NSHDSACASA-N 0 0 343.416 1.708 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000091049917 287331989 /nfs/dbraw/zinc/33/19/89/287331989.db2.gz MVSNYIDWTCRSCI-WCQYABFASA-N 0 0 342.465 1.216 10 0 EDAERN O=C(CN1C(=O)C(=O)c2cccc(Br)c21)[C@H]1CCOC1 ZINC000158111379 224952513 /nfs/dbraw/zinc/95/25/13/224952513.db2.gz MJXIJLWHWIEMBG-QMMMGPOBSA-N 0 0 338.157 1.584 10 0 EDAERN O=c1c(Br)c(NC[C@@H]2CCCS2)cnn1CCO ZINC000158166449 224962675 /nfs/dbraw/zinc/96/26/75/224962675.db2.gz BZRBKMAGJSJBAA-QMMMGPOBSA-N 0 0 334.239 1.306 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCc3nc(C)no3)CC2)cn1 ZINC000158462673 225021759 /nfs/dbraw/zinc/02/17/59/225021759.db2.gz PDRAMWZVQUZBRF-UHFFFAOYSA-N 0 0 332.408 1.726 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)C2)cn1 ZINC000116410239 287346824 /nfs/dbraw/zinc/34/68/24/287346824.db2.gz FPTFATDZYQYRQV-SNVBAGLBSA-N 0 0 339.355 1.325 10 0 EDAERN C[C@H](C(N)=S)S(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000158932898 225112591 /nfs/dbraw/zinc/11/25/91/225112591.db2.gz FZUNXSONOKUFPP-UWTATZPHSA-N 0 0 334.291 1.798 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cs1 ZINC000159308937 225191456 /nfs/dbraw/zinc/19/14/56/225191456.db2.gz PLMNDHIHEJHXFT-RYUDHWBXSA-N 0 0 329.443 1.935 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000120597390 287362305 /nfs/dbraw/zinc/36/23/05/287362305.db2.gz YUDKSHZJBNFXLJ-UHFFFAOYSA-N 0 0 344.341 1.785 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1c(F)cccc1F ZINC000164329388 226064710 /nfs/dbraw/zinc/06/47/10/226064710.db2.gz PHZWKXMOQVXZNU-ZDUSSCGKSA-N 0 0 342.371 1.819 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(F)c1)c1nnc2n1CCCC2 ZINC000165563767 226128520 /nfs/dbraw/zinc/12/85/20/226128520.db2.gz MEZXTXRYCKGWKF-JTQLQIEISA-N 0 0 331.351 1.569 10 0 EDAERN O=c1c(Br)c(Cl)ncn1[C@@H]1CCS(=O)(=O)C1 ZINC000166311087 226154724 /nfs/dbraw/zinc/15/47/24/226154724.db2.gz RPCIMVZOZMPBER-RXMQYKEDSA-N 0 0 327.587 1.019 10 0 EDAERN COc1ccc(Br)cc1C[C@@H](O)[C@H](C)S(C)(=O)=O ZINC000167587911 226193236 /nfs/dbraw/zinc/19/32/36/226193236.db2.gz SWYSJXGTWAKIGW-GZMMTYOYSA-N 0 0 337.235 1.794 10 0 EDAERN C[C@H](O)[C@H]1CCN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)C1 ZINC000167584702 226194439 /nfs/dbraw/zinc/19/44/39/226194439.db2.gz GDECTCDTNDYKJO-YUMQZZPRSA-N 0 0 339.244 1.967 10 0 EDAERN C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(N)ccc1Br ZINC000167720048 226198509 /nfs/dbraw/zinc/19/85/09/226198509.db2.gz NIYAKGHJFYLGSG-WCBMZHEXSA-N 0 0 329.194 1.253 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(N)ccc1Br ZINC000167719926 226199335 /nfs/dbraw/zinc/19/93/35/226199335.db2.gz NIYAKGHJFYLGSG-PSASIEDQSA-N 0 0 329.194 1.253 10 0 EDAERN CN(C(=O)[C@@H]1CCCCS1(=O)=O)c1ccc(C(N)=S)cc1 ZINC000168477919 226214877 /nfs/dbraw/zinc/21/48/77/226214877.db2.gz GYFWHLAXDMEODD-LBPRGKRZSA-N 0 0 326.443 1.251 10 0 EDAERN C[C@@H]1C(=O)N[C@H](C2CC2)C(=O)N1Cc1cncc(Br)c1 ZINC000168898271 226226127 /nfs/dbraw/zinc/22/61/27/226226127.db2.gz JPVDDLHOJMFBGW-PRHODGIISA-N 0 0 338.205 1.470 10 0 EDAERN COc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1Br ZINC000169058708 226228939 /nfs/dbraw/zinc/22/89/39/226228939.db2.gz HKWWKJXBRURIMD-NXEZZACHSA-N 0 0 336.207 1.028 10 0 EDAERN C[C@H](C[S@@](C)=O)n1c2cccc(S(C)(=O)=O)c2[nH]c1=S ZINC000169106589 226232038 /nfs/dbraw/zinc/23/20/38/226232038.db2.gz OAAVXUOIMHPTNY-YLVJLNSGSA-N 0 0 332.472 1.668 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(S(C)(=O)=O)nc2)cn1 ZINC000171447872 227086810 /nfs/dbraw/zinc/08/68/10/227086810.db2.gz AMBDSNLDSBTQGK-ZDUSSCGKSA-N 0 0 349.416 1.588 10 0 EDAERN CC1(C)[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)[C@H]2CCO[C@@H]21 ZINC000120839270 221688417 /nfs/dbraw/zinc/68/84/17/221688417.db2.gz IJSMTUUIUHNPLC-BMFZPTHFSA-N 0 0 345.447 1.876 10 0 EDAERN Cc1noc(C)c1CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122073274 222009057 /nfs/dbraw/zinc/00/90/57/222009057.db2.gz SLFFACFVXIVXJZ-AWEZNQCLSA-N 0 0 329.404 1.751 10 0 EDAERN CN(C(=O)CCc1cnn(C)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122519641 222104306 /nfs/dbraw/zinc/10/43/06/222104306.db2.gz GPAIOSXEPRZTON-HNNXBMFYSA-N 0 0 328.420 1.270 10 0 EDAERN COc1ncccc1C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122247580 222046749 /nfs/dbraw/zinc/04/67/49/222046749.db2.gz WQNZQTCCRJNSSL-ZDUSSCGKSA-N 0 0 327.388 1.621 10 0 EDAERN Cn1c(=O)oc2c1cccc2C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000122793815 222159186 /nfs/dbraw/zinc/15/91/86/222159186.db2.gz LHTVTEDOCLUYNG-UHFFFAOYSA-N 0 0 326.356 1.874 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)cn1 ZINC000123363372 222263416 /nfs/dbraw/zinc/26/34/16/222263416.db2.gz YACCHYFXNDYYRS-UHFFFAOYSA-N 0 0 343.431 1.284 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000124026542 222365763 /nfs/dbraw/zinc/36/57/63/222365763.db2.gz PMICEJXWVLHMMR-MRVPVSSYSA-N 0 0 330.266 1.795 10 0 EDAERN Cc1ccccc1CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171816854 227297297 /nfs/dbraw/zinc/29/72/97/227297297.db2.gz HYWULLSEKXXERQ-QGZVFWFLSA-N 0 0 328.416 1.845 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3nncs3)CC2)n1 ZINC000171837043 227309458 /nfs/dbraw/zinc/30/94/58/227309458.db2.gz ORDNHSVRCSOHKC-SECBINFHSA-N 0 0 337.409 1.394 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)Nc3cc(C)on3)CC2)cn1 ZINC000171846341 227314747 /nfs/dbraw/zinc/31/47/47/227314747.db2.gz WZRLWCAFOKOVKA-UHFFFAOYSA-N 0 0 332.408 1.939 10 0 EDAERN Cc1ccc(C(=O)NCCNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000171864397 227323484 /nfs/dbraw/zinc/32/34/84/227323484.db2.gz WCAZNIFETWAWOB-CYBMUJFWSA-N 0 0 343.383 1.253 10 0 EDAERN O=C(Nc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883614 227335600 /nfs/dbraw/zinc/33/56/00/227335600.db2.gz ZCKAAHLZJNLSRK-CQSZACIVSA-N 0 0 348.790 1.403 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(CO)c(F)c3)C2)cn1 ZINC000172182040 227523693 /nfs/dbraw/zinc/52/36/93/227523693.db2.gz MUGXHQVDIVMFRF-CYBMUJFWSA-N 0 0 332.379 1.751 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@@H](CO)Cc2ccc(C)cc2)CC1 ZINC000190975374 272976945 /nfs/dbraw/zinc/97/69/45/272976945.db2.gz QCXOXCHBQCHKNO-OFLPRAFFSA-N 0 0 333.428 1.994 10 0 EDAERN Cc1nc(-c2c[nH]c(C(=O)NC[C@@H](C)N3CCOCC3)c2)cs1 ZINC000029960039 267383473 /nfs/dbraw/zinc/38/34/73/267383473.db2.gz PXXFSTICHIUNFN-LLVKDONJSA-N 0 0 334.445 1.897 10 0 EDAERN CC(C)N1C(=S)N=NC1CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000108899224 267443589 /nfs/dbraw/zinc/44/35/89/267443589.db2.gz LDXDLZUPVONFAC-SECBINFHSA-N 0 0 337.405 1.175 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000189189940 267772064 /nfs/dbraw/zinc/77/20/64/267772064.db2.gz KQFULLLENFHGGS-WDEREUQCSA-N 0 0 336.358 1.624 10 0 EDAERN COc1cc(CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)ccn1 ZINC000042621303 272910064 /nfs/dbraw/zinc/91/00/64/272910064.db2.gz ZHADRBHXIDLBPO-GFCCVEGCSA-N 0 0 328.372 1.917 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000245507462 287712377 /nfs/dbraw/zinc/71/23/77/287712377.db2.gz QCPOYHKYAKFODJ-XJFOESAGSA-N 0 0 335.452 1.972 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000246220514 287732799 /nfs/dbraw/zinc/73/27/99/287732799.db2.gz ZMCGCLRTTSBXJG-CIZMJCHNSA-N 0 0 341.481 1.586 10 0 EDAERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000248750264 287779592 /nfs/dbraw/zinc/77/95/92/287779592.db2.gz KGPITIAKXCMZCA-QRTARXTBSA-N 0 0 346.427 1.934 10 0 EDAERN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]1CN(C)CCO1 ZINC000187210668 276507074 /nfs/dbraw/zinc/50/70/74/276507074.db2.gz PNNJTNHBWIZPIE-ZDUSSCGKSA-N 0 0 346.880 1.554 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)N2CCN(C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000171801298 277006494 /nfs/dbraw/zinc/00/64/94/277006494.db2.gz BTQOIRBLMWVZGS-MJGOQNOKSA-N 0 0 341.455 1.903 10 0 EDAERN COC(=O)[C@H](c1ccccc1C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248643593 277386508 /nfs/dbraw/zinc/38/65/08/277386508.db2.gz ZSYRQKQPDYPCTP-SZMVWBNQSA-N 0 0 332.444 1.862 10 0 EDAERN COc1cccc2c1OCC(C(=O)N[C@H]1CCc3ncnn3C1)=C2 ZINC000112662308 278039091 /nfs/dbraw/zinc/03/90/91/278039091.db2.gz STJKRFHSMNTEFT-ZDUSSCGKSA-N 0 0 326.356 1.194 10 0 EDAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)C1(C)C ZINC000153214496 278227868 /nfs/dbraw/zinc/22/78/68/278227868.db2.gz OHVFMXRGNKTNDZ-LSDHHAIUSA-N 0 0 348.447 1.664 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)[C@H](C)C2 ZINC000181242088 278890137 /nfs/dbraw/zinc/89/01/37/278890137.db2.gz JFCMUXMQTMIGJH-MEBBXXQBSA-N 0 0 334.397 1.899 10 0 EDAERN C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)[C@@H](C)O1 ZINC000334129892 278963482 /nfs/dbraw/zinc/96/34/82/278963482.db2.gz SPUKNQSFJSQMJC-OXGONZEZSA-N 0 0 325.453 1.305 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCC(F)(F)CO)[C@@H]1c1ccc(F)cc1 ZINC000183844933 289834642 /nfs/dbraw/zinc/83/46/42/289834642.db2.gz GLPUVAFBWCOOMW-AAEUAGOBSA-N 0 0 330.306 1.089 10 0 EDAERN Cc1csc(N2CCC(C(=O)N3CCn4cnnc4[C@H]3C)CC2)n1 ZINC000330148066 293034526 /nfs/dbraw/zinc/03/45/26/293034526.db2.gz MBYIHFAOTOSGMH-GFCCVEGCSA-N 0 0 346.460 1.863 10 0 EDAERN COc1ccc([C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C(C)C)cc1 ZINC000188508883 295215307 /nfs/dbraw/zinc/21/53/07/295215307.db2.gz CWBRJRNOJJWCOJ-OIISXLGYSA-N 0 0 334.416 1.490 10 0 EDAERN Nc1nc(Br)cn2c(I)cnc12 ZINC000095709630 295366727 /nfs/dbraw/zinc/36/67/27/295366727.db2.gz OCNHRXAWAIIKGH-UHFFFAOYSA-N 0 0 338.934 1.679 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3nnc(C)s3)C2=O)n(C)n1 ZINC000174543798 301337558 /nfs/dbraw/zinc/33/75/58/301337558.db2.gz GEHWQIIRTUHCGC-JTQLQIEISA-N 0 0 349.420 1.206 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1C ZINC000189098610 302774676 /nfs/dbraw/zinc/77/46/76/302774676.db2.gz UAKHAHBUDXVNLG-GFCCVEGCSA-N 0 0 330.392 1.073 10 0 EDAERN C[C@H](CC(=O)N1CCC[C@@H](n2cncn2)C1)NC(=O)c1ccccc1 ZINC000171664630 302944546 /nfs/dbraw/zinc/94/45/46/302944546.db2.gz TVSWWSDSNRRTGV-GDBMZVCRSA-N 0 0 341.415 1.650 10 0 EDAERN C[C@H]1CC[C@@H](O)CN1C(=O)CNC(=O)c1ccc(Br)o1 ZINC000399166709 303858119 /nfs/dbraw/zinc/85/81/19/303858119.db2.gz DPBPXRDVDGXQPH-DTWKUNHWSA-N 0 0 345.193 1.144 10 0 EDAERN O=C(NCc1ccncc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045595173 441007293 /nfs/dbraw/zinc/00/72/93/441007293.db2.gz LLQYIBHGEOWOIB-CQSZACIVSA-N 0 0 331.397 1.800 10 0 EDAERN CCO[C@H](C)O[C@H]1[C@H]2OC(C)(C)O[C@H]2C(O)[C@@H]2OC(C)(C)O[C@H]21 ZINC000103560146 441183588 /nfs/dbraw/zinc/18/35/88/441183588.db2.gz VPKJZKUJGTXJPV-BAOMFQLFSA-N 0 0 332.393 1.169 10 0 in-vitro EDAERN O=S(=O)(NCCC(F)(F)F)c1ccc2c(c1)CN[C@H](CF)C2 ZINC000013581896 441161029 /nfs/dbraw/zinc/16/10/29/441161029.db2.gz BBUDQLKRZPRPFD-NSHDSACASA-N 0 0 340.342 1.901 10 0 EDAERN Cc1ccccc1OCCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000104782215 441207897 /nfs/dbraw/zinc/20/78/97/441207897.db2.gz FIDYWYRHDWXZAR-INIZCTEOSA-N 0 0 335.448 1.784 10 0 EDAERN CC(C)[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Nc1ccccc1 ZINC000104797445 441210820 /nfs/dbraw/zinc/21/08/20/441210820.db2.gz DAYYCYHKHSLLIM-SJORKVTESA-N 0 0 334.464 1.753 10 0 EDAERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104799438 441211871 /nfs/dbraw/zinc/21/18/71/441211871.db2.gz VPARFWXVEVAHOC-QGZVFWFLSA-N 0 0 343.431 1.344 10 0 EDAERN CN(CCOc1ccccc1F)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104799269 441212181 /nfs/dbraw/zinc/21/21/81/441212181.db2.gz DIGYYIKEMDMNSH-CYBMUJFWSA-N 0 0 325.384 1.177 10 0 EDAERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104799670 441212334 /nfs/dbraw/zinc/21/23/34/441212334.db2.gz AXJCECHLBCIGPY-OAHLLOKOSA-N 0 0 348.447 1.214 10 0 EDAERN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105282673 441247719 /nfs/dbraw/zinc/24/77/19/441247719.db2.gz RQMSJDNJPAZTJA-OAHLLOKOSA-N 0 0 346.431 1.796 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000105283146 441248088 /nfs/dbraw/zinc/24/80/88/441248088.db2.gz QEBWXNOSNCOCBQ-INIZCTEOSA-N 0 0 333.388 1.915 10 0 EDAERN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000105281805 441248378 /nfs/dbraw/zinc/24/83/78/441248378.db2.gz LAJJGMSBPAJKJD-INIZCTEOSA-N 0 0 348.447 1.284 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N(C)c3nccs3)CC2)nn1 ZINC000105801682 441273294 /nfs/dbraw/zinc/27/32/94/441273294.db2.gz AXRXUWHBAOBWQO-UHFFFAOYSA-N 0 0 346.460 1.417 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CC(=O)NC(C)(C)CC)CC2)n1 ZINC000105865149 441295722 /nfs/dbraw/zinc/29/57/22/441295722.db2.gz IASVSWWDEACTFA-CYBMUJFWSA-N 0 0 337.468 1.615 10 0 EDAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105815050 441276877 /nfs/dbraw/zinc/27/68/77/441276877.db2.gz HVILMDZLQJFDNN-GFCCVEGCSA-N 0 0 343.387 1.291 10 0 EDAERN CCCN(CCC)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820413 441278743 /nfs/dbraw/zinc/27/87/43/441278743.db2.gz BEWRHXCHHXXYHI-IBGZPJMESA-N 0 0 347.503 1.986 10 0 EDAERN COCCN1CCN(CC(=O)Nc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000105831930 441286186 /nfs/dbraw/zinc/28/61/86/441286186.db2.gz VYFNSFHYZQPFJW-AWEZNQCLSA-N 0 0 348.447 1.236 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2ccccc2F)C[C@@H]1C ZINC000105834942 441287935 /nfs/dbraw/zinc/28/79/35/441287935.db2.gz GVOMYKBJYRGGOU-HNNXBMFYSA-N 0 0 337.439 1.485 10 0 EDAERN O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105854461 441292121 /nfs/dbraw/zinc/29/21/21/441292121.db2.gz UZJRKGNBWZQDHW-OAHLLOKOSA-N 0 0 337.383 1.526 10 0 EDAERN CCOc1ccnc(N2CCN([C@@H](C)C(=O)NC(CC)CC)CC2)n1 ZINC000106152393 441326372 /nfs/dbraw/zinc/32/63/72/441326372.db2.gz BCGDRMKKXKAZIB-AWEZNQCLSA-N 0 0 349.479 1.691 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000106152399 441326952 /nfs/dbraw/zinc/32/69/52/441326952.db2.gz LPTZVIDUUVNYDN-LSDHHAIUSA-N 0 0 349.479 1.691 10 0 EDAERN Cn1cccc1C(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106096847 441327069 /nfs/dbraw/zinc/32/70/69/441327069.db2.gz XMIZSFSNTWBJMD-GOSISDBHSA-N 0 0 327.428 1.559 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)CCn2ccc3ccccc32)CC1 ZINC000106392763 441337172 /nfs/dbraw/zinc/33/71/72/441337172.db2.gz XRVXNCRNYQBZBZ-QGZVFWFLSA-N 0 0 329.444 1.947 10 0 EDAERN CCCCc1noc(CN2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000105869714 441301079 /nfs/dbraw/zinc/30/10/79/441301079.db2.gz RJIZYUCJLIIQQQ-UHFFFAOYSA-N 0 0 332.452 1.854 10 0 EDAERN CCc1ccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105888900 441308306 /nfs/dbraw/zinc/30/83/06/441308306.db2.gz LAPHKHXESDIWGS-QGZVFWFLSA-N 0 0 328.416 1.785 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(Cc3cn4cccnc4n3)CCO2)n1 ZINC000105893516 441311172 /nfs/dbraw/zinc/31/11/72/441311172.db2.gz SVVTXXPSDZRKRP-MRXNPFEDSA-N 0 0 326.404 1.444 10 0 EDAERN Cc1cc(N2CCN(CCOCCC(C)C)CC2)n2ncnc2n1 ZINC000105908826 441315469 /nfs/dbraw/zinc/31/54/69/441315469.db2.gz MCQITDSVZOLRSM-UHFFFAOYSA-N 0 0 332.452 1.617 10 0 EDAERN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924748 441317369 /nfs/dbraw/zinc/31/73/69/441317369.db2.gz ITXQODMJGBPUFW-WCQYABFASA-N 0 0 327.375 1.554 10 0 EDAERN COC(=O)C[C@H](NC(=O)Cn1nnnc1C(C)C)c1ccccc1 ZINC000081826319 441318572 /nfs/dbraw/zinc/31/85/72/441318572.db2.gz OVLBBVMRSVHNMY-ZDUSSCGKSA-N 0 0 331.376 1.217 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106905586 441386324 /nfs/dbraw/zinc/38/63/24/441386324.db2.gz YARNBXAKHIYLTM-SFHVURJKSA-N 0 0 328.460 1.869 10 0 EDAERN CCOc1cccc(N2CCN(C[C@H](O)COC(C)(C)C)CC2)n1 ZINC000106936427 441393545 /nfs/dbraw/zinc/39/35/45/441393545.db2.gz ZYRVIRVXKFNOMG-HNNXBMFYSA-N 0 0 337.464 1.778 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC)C(=O)OC ZINC000084370890 441395435 /nfs/dbraw/zinc/39/54/35/441395435.db2.gz HIAVWLPCBMQQIM-AEGPPILISA-N 0 0 334.416 1.899 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@](C)(O)c1cccs1 ZINC000083739977 441374132 /nfs/dbraw/zinc/37/41/32/441374132.db2.gz WCMXEFMETKYPDC-NHYWBVRUSA-N 0 0 335.433 1.690 10 0 EDAERN Cc1ccc(N2CC[C@H](NC(=O)N3CCC([C@H](C)O)CC3)C2=O)cc1 ZINC000074608316 441448811 /nfs/dbraw/zinc/44/88/11/441448811.db2.gz FKGXZNHQTIKBFO-YOEHRIQHSA-N 0 0 345.443 1.903 10 0 EDAERN CCO[C@@H](CCNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)C(C)C ZINC000074293654 441418613 /nfs/dbraw/zinc/41/86/13/441418613.db2.gz ZINAPPUDADUPEX-CVEARBPZSA-N 0 0 335.448 1.833 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000107180294 441402242 /nfs/dbraw/zinc/40/22/42/441402242.db2.gz BODNFFCJVRLMQN-HUUCEWRRSA-N 0 0 331.416 1.887 10 0 EDAERN CN(C[C@@H]1CCCN1c1cccnn1)c1ncc(C(N)=O)cc1Cl ZINC000108946963 441481841 /nfs/dbraw/zinc/48/18/41/441481841.db2.gz HYFXELQSZINSNH-LBPRGKRZSA-N 0 0 346.822 1.729 10 0 EDAERN CN1C(=S)N=NC1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124569 441489044 /nfs/dbraw/zinc/48/90/44/441489044.db2.gz TYQNKBQNPRRRCK-NXEZZACHSA-N 0 0 338.383 1.844 10 0 EDAERN CC[C@H]1CN(c2ncc(C(N)=O)cc2Cl)CCN1CCOC ZINC000109320233 441495467 /nfs/dbraw/zinc/49/54/67/441495467.db2.gz CUJDFGLIOKNCAS-LBPRGKRZSA-N 0 0 326.828 1.381 10 0 EDAERN O=C(CSCc1cccnc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111075179 441528908 /nfs/dbraw/zinc/52/89/08/441528908.db2.gz WZDQZJPPICUTPR-HNNXBMFYSA-N 0 0 332.429 1.439 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111713882 441539512 /nfs/dbraw/zinc/53/95/12/441539512.db2.gz MWCHGPUAMZSMOM-HNNXBMFYSA-N 0 0 343.387 1.176 10 0 EDAERN Cc1nc2cccc(C(F)(F)F)c2c(=O)n1[C@@H]1CCC(=O)NC1=O ZINC000113476726 441610519 /nfs/dbraw/zinc/61/05/19/441610519.db2.gz OVDGQHSOYHQOCH-SNVBAGLBSA-N 0 0 339.273 1.701 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1c(Cl)cccc1Cl ZINC000113298465 441600237 /nfs/dbraw/zinc/60/02/37/441600237.db2.gz JXBKIEZYBGSLRL-QMMMGPOBSA-N 0 0 347.227 1.878 10 0 EDAERN NC(=O)COc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000113886390 441626728 /nfs/dbraw/zinc/62/67/28/441626728.db2.gz HDKSJEIHLWIUCV-OAHLLOKOSA-N 0 0 328.372 1.641 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000173339355 441717717 /nfs/dbraw/zinc/71/77/17/441717717.db2.gz ZLSDDCOXSWDBMC-FUHWJXTLSA-N 0 0 349.475 1.738 10 0 EDAERN Cc1noc(CCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000121594714 441739368 /nfs/dbraw/zinc/73/93/68/441739368.db2.gz DXWRPSWXWIZMER-CJNGLKHVSA-N 0 0 346.362 1.395 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000121644318 441750137 /nfs/dbraw/zinc/75/01/37/441750137.db2.gz OJQTUYJNAXRNCN-GFCCVEGCSA-N 0 0 345.403 1.913 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCc1cnn(C)c1)CC2 ZINC000158682662 441755114 /nfs/dbraw/zinc/75/51/14/441755114.db2.gz CWMZBVPPRYWYOC-AWEZNQCLSA-N 0 0 345.451 1.382 10 0 EDAERN C[C@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000056942435 441759689 /nfs/dbraw/zinc/75/96/89/441759689.db2.gz CVMASMHVVGIEFL-QMMMGPOBSA-N 0 0 337.804 1.389 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)NCCNS(C)(=O)=O)o1 ZINC000173481424 441764432 /nfs/dbraw/zinc/76/44/32/441764432.db2.gz AAILQINDWNOOCM-CYBMUJFWSA-N 0 0 343.449 1.628 10 0 EDAERN C[C@H](NC(=O)Nc1nccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000042652287 441765272 /nfs/dbraw/zinc/76/52/72/441765272.db2.gz HCXOVSZOVXZXLP-QMMMGPOBSA-N 0 0 326.403 1.673 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3ccnn3C(C)C)CCO2)[nH]1 ZINC000173356290 441722302 /nfs/dbraw/zinc/72/23/02/441722302.db2.gz GBGWMOBFYKHEKN-WCQYABFASA-N 0 0 347.423 1.291 10 0 EDAERN CCOc1cccc(CCNC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000136889119 441730694 /nfs/dbraw/zinc/73/06/94/441730694.db2.gz WQTSJUOMFJIYRM-INIZCTEOSA-N 0 0 333.432 1.938 10 0 EDAERN COCCN1CCN(C(=O)c2cn(Cc3cccs3)nn2)C[C@H]1C ZINC000173548575 441787932 /nfs/dbraw/zinc/78/79/32/441787932.db2.gz FTVNDSBRDDHSIW-CYBMUJFWSA-N 0 0 349.460 1.181 10 0 EDAERN O=C(NCCCc1ccc(Br)cc1F)[C@H]1CNC(=O)C1 ZINC000116149831 441797603 /nfs/dbraw/zinc/79/76/03/441797603.db2.gz PXSGHOFFPBQBPQ-SNVBAGLBSA-N 0 0 343.196 1.773 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cc3c[nH]c4cc(F)ccc34)CCO2)[nH]1 ZINC000173605945 441804106 /nfs/dbraw/zinc/80/41/06/441804106.db2.gz SOFJGIPABJOGAS-OAHLLOKOSA-N 0 0 343.362 1.876 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCNC(=O)C(C)C)C1 ZINC000121984492 441824269 /nfs/dbraw/zinc/82/42/69/441824269.db2.gz BWCVHHXEIGZJFI-CQSZACIVSA-N 0 0 340.468 1.239 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(C)c1 ZINC000116587114 441831385 /nfs/dbraw/zinc/83/13/85/441831385.db2.gz AVMGMYREGFFOKV-CQSZACIVSA-N 0 0 326.400 1.992 10 0 EDAERN COCc1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173775883 441837151 /nfs/dbraw/zinc/83/71/51/441837151.db2.gz SRRSDHCXPYRVJS-KRWDZBQOSA-N 0 0 333.432 1.449 10 0 EDAERN CCO[C@@H]1C[C@@H](O)C12CCN(c1cncc(-n3ccnc3C)n1)CC2 ZINC000092915683 441840031 /nfs/dbraw/zinc/84/00/31/441840031.db2.gz UEOLHWINXIVJIB-HUUCEWRRSA-N 0 0 343.431 1.727 10 0 EDAERN C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173790238 441841035 /nfs/dbraw/zinc/84/10/35/441841035.db2.gz VBTXPNZGZSNBFN-GOEBONIOSA-N 0 0 335.423 1.873 10 0 EDAERN O=C(Cc1noc2ccccc12)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118673903 441900650 /nfs/dbraw/zinc/90/06/50/441900650.db2.gz CJBCHKFFIDGNIV-ZDUSSCGKSA-N 0 0 337.383 1.946 10 0 EDAERN O=C1C[C@@H]2c3ccc(F)c(Br)c3CCN2C(=O)CN1 ZINC000149185154 441922349 /nfs/dbraw/zinc/92/23/49/441922349.db2.gz XYTBUIZOUFJYMY-SNVBAGLBSA-N 0 0 327.153 1.534 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccnn1C1CCCC1 ZINC000173995584 441876269 /nfs/dbraw/zinc/87/62/69/441876269.db2.gz ODNBKQUWZXQLEM-INIZCTEOSA-N 0 0 347.463 1.343 10 0 EDAERN CCc1cc(N2CCC[C@@H](c3nn[nH]n3)C2)nc(-c2ccccn2)n1 ZINC000095997060 441975838 /nfs/dbraw/zinc/97/58/38/441975838.db2.gz AKXRUCMAKXSVHU-GFCCVEGCSA-N 0 0 336.403 1.998 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000124525573 441934311 /nfs/dbraw/zinc/93/43/11/441934311.db2.gz KGMVZWQXOOZZDJ-UHFFFAOYSA-N 0 0 338.415 1.964 10 0 EDAERN NC(=O)Cn1ccnc1[C@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000095530700 441951822 /nfs/dbraw/zinc/95/18/22/441951822.db2.gz QGTYXHZEFWUREO-NSHDSACASA-N 0 0 325.376 1.024 10 0 EDAERN Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CN(C)CCO3)C2)cc1 ZINC000174749032 441963302 /nfs/dbraw/zinc/96/33/02/441963302.db2.gz DVRIERIJOLEINF-FUHWJXTLSA-N 0 0 346.475 1.594 10 0 EDAERN CCc1cc(=O)[nH]c(CN(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000119998636 441990963 /nfs/dbraw/zinc/99/09/63/441990963.db2.gz SLMRHXRMDLBNAM-CQSZACIVSA-N 0 0 328.420 1.635 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCSC)ncn1 ZINC000175071828 442000413 /nfs/dbraw/zinc/00/04/13/442000413.db2.gz ZUWAZZBBYQSMHS-GFCCVEGCSA-N 0 0 338.481 1.539 10 0 EDAERN O=C(N[C@H]1CCCC[C@H]1CO)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000151070187 442000936 /nfs/dbraw/zinc/00/09/36/442000936.db2.gz OHCWAXDZWYPQNG-HOTGVXAUSA-N 0 0 343.427 1.832 10 0 EDAERN CCc1cc(=O)[nH]c(CN2CCN([C@H](C)c3nc(C)no3)CC2)n1 ZINC000120064488 442001568 /nfs/dbraw/zinc/00/15/68/442001568.db2.gz JSWHHETVQLXGDO-LLVKDONJSA-N 0 0 332.408 1.315 10 0 EDAERN CC(C)S(=O)(=O)CCCN1CCCN(Cc2cnn(C)c2)CC1 ZINC000120077742 442004251 /nfs/dbraw/zinc/00/42/51/442004251.db2.gz WCVLCOKZEPASSH-UHFFFAOYSA-N 0 0 342.509 1.141 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175112279 442006290 /nfs/dbraw/zinc/00/62/90/442006290.db2.gz PFAFRGPYUBAGQZ-HIFRSBDPSA-N 0 0 329.404 1.497 10 0 EDAERN O=C(NCCNc1nnnn1-c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000069663567 442006467 /nfs/dbraw/zinc/00/64/67/442006467.db2.gz LEBTUIFAPVLMHX-UHFFFAOYSA-N 0 0 348.370 1.381 10 0 EDAERN CCC(CC)c1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)on1 ZINC000175122946 442007140 /nfs/dbraw/zinc/00/71/40/442007140.db2.gz STUHEWNXPKCVLD-GFCCVEGCSA-N 0 0 332.408 1.984 10 0 EDAERN C[C@H](CNC(=O)N[C@H](C)COCc1ccccc1)CN1CCOCC1 ZINC000175180365 442011058 /nfs/dbraw/zinc/01/10/58/442011058.db2.gz ARYZAAGNYKQNRU-IAGOWNOFSA-N 0 0 349.475 1.859 10 0 EDAERN CCC[C@H](C(=O)NC[C@]1(N2CCOCC2)CCSC1)[NH+](C)C ZINC000161732587 442028009 /nfs/dbraw/zinc/02/80/09/442028009.db2.gz OPAOSQLUTKOMRK-GDBMZVCRSA-N 0 0 329.510 1.041 10 0 EDAERN Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)COCc2ccccc2)c1C ZINC000175288355 442033180 /nfs/dbraw/zinc/03/31/80/442033180.db2.gz IPBZFUQLUYQAHI-LBPRGKRZSA-N 0 0 329.400 1.732 10 0 EDAERN O=C(NCc1cccc2c1OCCCO2)N[C@H]1CCCn2ncnc21 ZINC000151373630 442050923 /nfs/dbraw/zinc/05/09/23/442050923.db2.gz VDTZMFQERSTWDI-ZDUSSCGKSA-N 0 0 343.387 1.774 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)COc3ccccc3O)CC2)nn1 ZINC000151552993 442082189 /nfs/dbraw/zinc/08/21/89/442082189.db2.gz BNNHYRZHBSURPS-UHFFFAOYSA-N 0 0 342.399 1.608 10 0 EDAERN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1csc(S(C)(=O)=O)c1 ZINC000162811518 442124582 /nfs/dbraw/zinc/12/45/82/442124582.db2.gz SBVZHVHLCABSRE-CMPLNLGQSA-N 0 0 328.459 1.460 10 0 EDAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151855834 442129838 /nfs/dbraw/zinc/12/98/38/442129838.db2.gz IFOPQQYHIGPNQU-KZULUSFZSA-N 0 0 327.384 1.690 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCNC(=O)c1ccco1 ZINC000175703151 442108523 /nfs/dbraw/zinc/10/85/23/442108523.db2.gz FQJUGLCBBZQBMC-CQSZACIVSA-N 0 0 345.403 1.389 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176099841 442176433 /nfs/dbraw/zinc/17/64/33/442176433.db2.gz RVJJULZZRPINSY-AWEZNQCLSA-N 0 0 341.415 1.993 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCCn1cnnc1C(C)C)C(C)C ZINC000152200171 442180882 /nfs/dbraw/zinc/18/08/82/442180882.db2.gz AECSONDHIRXOHH-HNNXBMFYSA-N 0 0 337.468 1.705 10 0 EDAERN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121195068 442190511 /nfs/dbraw/zinc/19/05/11/442190511.db2.gz FKICOHOEMMSXIM-CYBMUJFWSA-N 0 0 328.372 1.103 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)n(-c2ccccc2F)n1 ZINC000121213342 442192755 /nfs/dbraw/zinc/19/27/55/442192755.db2.gz JOJPTJSDICMQNX-GFCCVEGCSA-N 0 0 346.362 1.242 10 0 EDAERN COc1nc(N[C@H]2CCc3ncnn3C2)ncc1Br ZINC000176250369 442199588 /nfs/dbraw/zinc/19/95/88/442199588.db2.gz KFSJAGNOVXGTMR-ZETCQYMHSA-N 0 0 325.170 1.266 10 0 EDAERN Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000152364185 442202915 /nfs/dbraw/zinc/20/29/15/442202915.db2.gz ZFIGUKCIXQRCKM-IAQYHMDHSA-N 0 0 344.415 1.791 10 0 EDAERN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120937172 442153626 /nfs/dbraw/zinc/15/36/26/442153626.db2.gz CORVQEJTCNKUQE-ZDUSSCGKSA-N 0 0 329.356 1.572 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(Cl)cc2cccnc21 ZINC000097001006 442153856 /nfs/dbraw/zinc/15/38/56/442153856.db2.gz RRARKXLPZDBWMX-CQSZACIVSA-N 0 0 349.818 1.311 10 0 EDAERN CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000175963983 442154695 /nfs/dbraw/zinc/15/46/95/442154695.db2.gz INIHZALVUPRYIX-ZBFHGGJFSA-N 0 0 336.407 1.916 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)CCOc2cccc(C(N)=O)c2)cn1 ZINC000175990280 442158578 /nfs/dbraw/zinc/15/85/78/442158578.db2.gz QHYKZLQFMPJHLB-INIZCTEOSA-N 0 0 342.399 1.652 10 0 EDAERN Cc1noc2ncc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)cc12 ZINC000126979260 442158827 /nfs/dbraw/zinc/15/88/27/442158827.db2.gz KLNCSNBGFUOENR-GFCCVEGCSA-N 0 0 326.360 1.675 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(C)cc(OC)c1)CC2 ZINC000126998960 442160734 /nfs/dbraw/zinc/16/07/34/442160734.db2.gz VLYASMZOOQJWTK-CQSZACIVSA-N 0 0 343.431 1.972 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)COC4)C2)cn1 ZINC000128192474 442251028 /nfs/dbraw/zinc/25/10/28/442251028.db2.gz RQBVFAJFMLUDFX-LBPRGKRZSA-N 0 0 340.383 1.405 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccccc1OC(F)F ZINC000176750250 442252775 /nfs/dbraw/zinc/25/27/75/442252775.db2.gz XEAADDZOOQHXKW-SECBINFHSA-N 0 0 344.343 1.693 10 0 EDAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NC(=O)Nc1ccccc1 ZINC000152524041 442222333 /nfs/dbraw/zinc/22/23/33/442222333.db2.gz ZMCGPWKDAUHDNX-INIZCTEOSA-N 0 0 340.383 1.883 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)CCn2cncn2)N2CCOCC2)s1 ZINC000176551045 442233125 /nfs/dbraw/zinc/23/31/25/442233125.db2.gz BJHOZHDHBJVRAU-CQSZACIVSA-N 0 0 349.460 1.228 10 0 EDAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)c1nc(C2CC2)n2ccccc12 ZINC000152744025 442241273 /nfs/dbraw/zinc/24/12/73/442241273.db2.gz DWUJNVYWDWDBHH-TZMCWYRMSA-N 0 0 329.400 1.824 10 0 EDAERN COCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000170668146 442246078 /nfs/dbraw/zinc/24/60/78/442246078.db2.gz YMTVIKJTKGIMHK-SMDDNHRTSA-N 0 0 342.417 1.117 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000170919952 442288953 /nfs/dbraw/zinc/28/89/53/442288953.db2.gz RYTTZXDQMZTNIC-AWEZNQCLSA-N 0 0 327.812 1.349 10 0 EDAERN CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1(C)C ZINC000153710952 442297442 /nfs/dbraw/zinc/29/74/42/442297442.db2.gz SLARCHXORRWNEQ-QLFBSQMISA-N 0 0 330.432 1.813 10 0 EDAERN O=C(CCc1ccc(Cl)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000129035524 442299039 /nfs/dbraw/zinc/29/90/39/442299039.db2.gz STGFIVXTZGCFBK-OAHLLOKOSA-N 0 0 326.824 1.082 10 0 EDAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177362386 442332441 /nfs/dbraw/zinc/33/24/41/442332441.db2.gz LRVIITVDLXNBRQ-ZIAGYGMSSA-N 0 0 348.451 1.451 10 0 EDAERN O=C(Nc1ccccc1OC(F)F)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130667785 442353213 /nfs/dbraw/zinc/35/32/13/442353213.db2.gz IFJJEQFMUCVRNI-GHMZBOCLSA-N 0 0 342.342 1.894 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000177700982 442372803 /nfs/dbraw/zinc/37/28/03/442372803.db2.gz CBEKKDHZHVYOGP-OCCSQVGLSA-N 0 0 328.372 1.379 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3csc(C)n3)CC2)no1 ZINC000171759341 442378092 /nfs/dbraw/zinc/37/80/92/442378092.db2.gz XWDKAPABFKVPGJ-UHFFFAOYSA-N 0 0 335.433 1.420 10 0 EDAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCC[C@@H]1Cn1ccnc1 ZINC000177769749 442382153 /nfs/dbraw/zinc/38/21/53/442382153.db2.gz YIVGQIOXKDBSGQ-CYBMUJFWSA-N 0 0 326.356 1.519 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000155240045 442383416 /nfs/dbraw/zinc/38/34/16/442383416.db2.gz XDLIGBIGMCJWHO-SUMWQHHRSA-N 0 0 334.420 1.385 10 0 EDAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177814985 442387629 /nfs/dbraw/zinc/38/76/29/442387629.db2.gz WGDWKLNINXAIRZ-WCQYABFASA-N 0 0 347.448 1.376 10 0 EDAERN CC(C)c1ccc([C@@H](C)NC(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000171986222 442396069 /nfs/dbraw/zinc/39/60/69/442396069.db2.gz PXZVJQHCJPSGNV-CYBMUJFWSA-N 0 0 339.399 1.892 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)CN1CCCCCC1=O)C2 ZINC000172003304 442397745 /nfs/dbraw/zinc/39/77/45/442397745.db2.gz FJQIYMGCTMVHKS-UHFFFAOYSA-N 0 0 332.448 1.831 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](C)Cn1ccnc1C)CC2 ZINC000172023405 442401158 /nfs/dbraw/zinc/40/11/58/442401158.db2.gz KUZYMJOSOGEEHQ-JSGCOSHPSA-N 0 0 345.451 1.296 10 0 EDAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000171580935 442359402 /nfs/dbraw/zinc/35/94/02/442359402.db2.gz LNKPGJFGDOAREB-OCCSQVGLSA-N 0 0 325.372 1.568 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177605289 442361856 /nfs/dbraw/zinc/36/18/56/442361856.db2.gz JWKGRJGYWIKXSD-UONOGXRCSA-N 0 0 333.432 1.101 10 0 EDAERN CCC[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000155526857 442405695 /nfs/dbraw/zinc/40/56/95/442405695.db2.gz PXXAOFKUWAKXOV-KBPBESRZSA-N 0 0 327.469 1.249 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)c1 ZINC000178211984 442416035 /nfs/dbraw/zinc/41/60/35/442416035.db2.gz RJQVCCIWQISLBG-KGLIPLIRSA-N 0 0 342.403 1.131 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000172222899 442426027 /nfs/dbraw/zinc/42/60/27/442426027.db2.gz GIUAGLRDCGQJPW-GFCCVEGCSA-N 0 0 339.823 1.458 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CC=C(c2ccc(O)cc2)CC1)C(C)C ZINC000178395210 442430095 /nfs/dbraw/zinc/43/00/95/442430095.db2.gz DDMMOYSYWQMYFO-MRXNPFEDSA-N 0 0 331.416 1.962 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(=O)n(CC)c1)CC2 ZINC000172262642 442432022 /nfs/dbraw/zinc/43/20/22/442432022.db2.gz KDPIVJSBIPWRPI-LBPRGKRZSA-N 0 0 330.392 1.159 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccccc3N3CCOCC3)C2)cn1 ZINC000172261130 442432313 /nfs/dbraw/zinc/43/23/13/442432313.db2.gz AQEWDIVPXNUIQG-HNNXBMFYSA-N 0 0 340.427 1.886 10 0 EDAERN O=C(Nc1cc2c(cc1F)NC(=O)CC2)N[C@H]1CCc2ncnn2C1 ZINC000133711903 442430939 /nfs/dbraw/zinc/43/09/39/442430939.db2.gz ZXSUYGKIKZAKEX-JTQLQIEISA-N 0 0 344.350 1.438 10 0 EDAERN COc1cc(OC)cc(S(=O)(=O)NCCn2cc(C)cn2)c1 ZINC000178418971 442431766 /nfs/dbraw/zinc/43/17/66/442431766.db2.gz IFBOQGMMEOCOTE-UHFFFAOYSA-N 0 0 325.390 1.187 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCn1cnnc1C ZINC000156209700 442454796 /nfs/dbraw/zinc/45/47/96/442454796.db2.gz XWRXUCPFSMPCKC-CZUORRHYSA-N 0 0 343.431 1.547 10 0 EDAERN C[C@H]1COC[C@H](C)N1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000172553001 442488630 /nfs/dbraw/zinc/48/86/30/442488630.db2.gz RFJWNZWPIQTECN-GJZGRUSLSA-N 0 0 337.489 1.502 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000186314170 442510166 /nfs/dbraw/zinc/51/01/66/442510166.db2.gz DDBRKUPVODEXFJ-UHFFFAOYSA-N 0 0 339.395 1.699 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cn(-c2ccc(F)cc2C)nn1)C(C)C ZINC000179706396 442492571 /nfs/dbraw/zinc/49/25/71/442492571.db2.gz YWUATMQOYXDNOQ-CQSZACIVSA-N 0 0 333.367 1.215 10 0 EDAERN CC(C)[C@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)C(N)=O ZINC000134585070 442497910 /nfs/dbraw/zinc/49/79/10/442497910.db2.gz KWHQOFMMZPYAOT-HNNXBMFYSA-N 0 0 332.404 1.123 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCCN(c2ccccc2)CC1 ZINC000172604163 442502261 /nfs/dbraw/zinc/50/22/61/442502261.db2.gz DIMADRBUHZEZQC-HNNXBMFYSA-N 0 0 340.431 1.515 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc(=O)[nH]1 ZINC000179783718 442502557 /nfs/dbraw/zinc/50/25/57/442502557.db2.gz KGMGTCDBWSBZBZ-ZDUSSCGKSA-N 0 0 332.381 1.744 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000178867307 442508194 /nfs/dbraw/zinc/50/81/94/442508194.db2.gz HINUUXOTRJXVOY-QGZVFWFLSA-N 0 0 332.444 1.948 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2oc(-c3ccccc3)nc2C)C1 ZINC000186310340 442508952 /nfs/dbraw/zinc/50/89/52/442508952.db2.gz WNOJJYNFFVJWMA-UHFFFAOYSA-N 0 0 329.356 1.237 10 0 EDAERN COc1cc(N2CCN(C(=O)N[C@@H](C)c3ccc(C)o3)CC2)ncn1 ZINC000186191079 442481472 /nfs/dbraw/zinc/48/14/72/442481472.db2.gz UYZDWFJOYJSMBK-ZDUSSCGKSA-N 0 0 345.403 1.979 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000191645597 442482677 /nfs/dbraw/zinc/48/26/77/442482677.db2.gz UEFVVSXJNYKVCR-WDEREUQCSA-N 0 0 326.343 1.626 10 0 EDAERN O=C(Nc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1)C1CC1 ZINC000172765912 442538608 /nfs/dbraw/zinc/53/86/08/442538608.db2.gz NTRKUIIRNHBVDQ-QGZVFWFLSA-N 0 0 343.427 1.582 10 0 EDAERN COC(=O)C1CCC(C(=O)NC2CCN(c3ncccn3)CC2)CC1 ZINC000180156886 442549863 /nfs/dbraw/zinc/54/98/63/442549863.db2.gz LURYTGIZKFPZLG-UHFFFAOYSA-N 0 0 346.431 1.541 10 0 EDAERN CCCOc1ncccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186535917 442555705 /nfs/dbraw/zinc/55/57/05/442555705.db2.gz XRESJTYLJVZLMA-UHFFFAOYSA-N 0 0 332.404 1.290 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1nc[nH]n1 ZINC000172645721 442512858 /nfs/dbraw/zinc/51/28/58/442512858.db2.gz UYTNEQBOKGVEMA-DOMZBBRYSA-N 0 0 329.404 1.608 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2sc(C)nc2C)n1 ZINC000186347483 442516668 /nfs/dbraw/zinc/51/66/68/442516668.db2.gz SPFRMMVLEQIWAC-JTQLQIEISA-N 0 0 344.418 1.214 10 0 EDAERN Cc1cnc([C@@H](C)CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)s1 ZINC000186366302 442520061 /nfs/dbraw/zinc/52/00/61/442520061.db2.gz FEQNHRBTKOHFFS-FZMZJTMJSA-N 0 0 346.456 1.951 10 0 EDAERN CCc1nn(C)c(CC)c1CC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000191888854 442533291 /nfs/dbraw/zinc/53/32/91/442533291.db2.gz BDIQUUHCIACWRI-AWEZNQCLSA-N 0 0 336.480 1.267 10 0 EDAERN O=C(CSc1ccncc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135300818 442576943 /nfs/dbraw/zinc/57/69/43/442576943.db2.gz SDXVHIOUPFXSLI-ZDUSSCGKSA-N 0 0 329.429 1.749 10 0 EDAERN C[C@H](CNC(=O)N1CCC(c2ccnn2C)CC1)Cn1cccn1 ZINC000157420484 442581875 /nfs/dbraw/zinc/58/18/75/442581875.db2.gz GZCGNNOUULDYHA-CQSZACIVSA-N 0 0 330.436 1.842 10 0 EDAERN O=C(NOCc1ccc(F)cc1Br)[C@@H]1CNC(=O)C1 ZINC000186653202 442583628 /nfs/dbraw/zinc/58/36/28/442583628.db2.gz DLHZAJOVXWGVJH-QMMMGPOBSA-N 0 0 331.141 1.272 10 0 EDAERN CCc1cnc(CCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)s1 ZINC000173028447 442589331 /nfs/dbraw/zinc/58/93/31/442589331.db2.gz DSRHTRXWFKWIDF-CQSZACIVSA-N 0 0 346.456 1.644 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(C)[nH]c(=O)c3)C2)n1 ZINC000180420516 442600312 /nfs/dbraw/zinc/60/03/12/442600312.db2.gz CUEZGHFZEUQQDT-CQSZACIVSA-N 0 0 329.404 1.856 10 0 EDAERN CC1=C(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)[C@H](C)n2ncnc2N1C ZINC000192166135 442606861 /nfs/dbraw/zinc/60/68/61/442606861.db2.gz HRRTXDHTHJWOPR-MELADBBJSA-N 0 0 331.420 1.733 10 0 EDAERN CCc1nn(C)cc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000180209885 442559814 /nfs/dbraw/zinc/55/98/14/442559814.db2.gz MFJVUYDJDMNHJW-UHFFFAOYSA-N 0 0 332.408 1.022 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3C)CCO2)[nH]1 ZINC000180224536 442561920 /nfs/dbraw/zinc/56/19/20/442561920.db2.gz WAEKKHKYOVKGKU-ZDUSSCGKSA-N 0 0 347.350 1.099 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000180224516 442562232 /nfs/dbraw/zinc/56/22/32/442562232.db2.gz ZZVVVNIRYYYMNV-CQSZACIVSA-N 0 0 343.387 1.269 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cccc(OC(C)C)n3)CCO2)c1 ZINC000179075940 442566186 /nfs/dbraw/zinc/56/61/86/442566186.db2.gz LECDHGLOTBPADQ-HNNXBMFYSA-N 0 0 344.415 1.915 10 0 EDAERN Cc1ccc(F)cc1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180249605 442566169 /nfs/dbraw/zinc/56/61/69/442566169.db2.gz MYFNDJVWVFPTGN-XJKSGUPXSA-N 0 0 349.406 1.252 10 0 EDAERN C[C@@H](NC(=O)Cn1ncn(C)c1=O)c1cccc(Br)c1 ZINC000179417424 442644433 /nfs/dbraw/zinc/64/44/33/442644433.db2.gz SAJJARDNTGOGSA-SECBINFHSA-N 0 0 339.193 1.222 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)CCCCCNC(C)=O)C12CCOCC2 ZINC000187099876 442653250 /nfs/dbraw/zinc/65/32/50/442653250.db2.gz KEAYBXDNWTVTSH-HZPDHXFCSA-N 0 0 340.464 1.773 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CCNC(=O)CC(C)C)C12CCOCC2 ZINC000187159010 442656871 /nfs/dbraw/zinc/65/68/71/442656871.db2.gz CHNOLRATULOAEP-LSDHHAIUSA-N 0 0 340.464 1.629 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180578985 442626827 /nfs/dbraw/zinc/62/68/27/442626827.db2.gz UCEHSWNASVUVFR-FZMZJTMJSA-N 0 0 343.387 1.078 10 0 EDAERN O=C(CCNC(=O)c1cccs1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135803167 442634718 /nfs/dbraw/zinc/63/47/18/442634718.db2.gz QSYZZGFNTLPOOZ-CQSZACIVSA-N 0 0 345.424 1.943 10 0 EDAERN C[C@H](NC(=O)NC(C1CC1)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000192919675 442698080 /nfs/dbraw/zinc/69/80/80/442698080.db2.gz ZDZRWPPPUZNSPB-JTQLQIEISA-N 0 0 337.445 1.883 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1ccncc1OC)CC2 ZINC000187178973 442659355 /nfs/dbraw/zinc/65/93/55/442659355.db2.gz APCDXJXMGZRQGX-RYUDHWBXSA-N 0 0 344.419 1.619 10 0 EDAERN CSC[C@@H](CCO)NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181601238 442706280 /nfs/dbraw/zinc/70/62/80/442706280.db2.gz SWOPXFLXVAPINT-NWDGAFQWSA-N 0 0 341.481 1.130 10 0 EDAERN O=C(c1coc2ccccc12)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136425473 442663368 /nfs/dbraw/zinc/66/33/68/442663368.db2.gz DOGXVYDPIZIIJA-UHFFFAOYSA-N 0 0 348.366 1.833 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000180865390 442665931 /nfs/dbraw/zinc/66/59/31/442665931.db2.gz MMFBOYGINKTGKL-NSHDSACASA-N 0 0 339.355 1.832 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187347680 442671368 /nfs/dbraw/zinc/67/13/68/442671368.db2.gz GOEWACLEAQDGHA-LBPRGKRZSA-N 0 0 339.342 1.474 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCOC2CCCCCC2)CC1 ZINC000181787344 442716470 /nfs/dbraw/zinc/71/64/70/442716470.db2.gz QFUVVDGMYNJAMM-MRXNPFEDSA-N 0 0 341.496 1.824 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000182054791 442731965 /nfs/dbraw/zinc/73/19/65/442731965.db2.gz DHPGXETZCASBDN-AUWXTCHYSA-N 0 0 326.418 1.585 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000193377609 442737466 /nfs/dbraw/zinc/73/74/66/442737466.db2.gz LHUDPYCNTCKFIG-KSSFIOAISA-N 0 0 334.416 1.940 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)[C@@H]1CCCO1 ZINC000182166414 442741807 /nfs/dbraw/zinc/74/18/07/442741807.db2.gz HOUBPPOMSVFJHL-CFVMTHIKSA-N 0 0 332.404 1.444 10 0 EDAERN COc1ccc(CCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1OC ZINC000188473371 442754324 /nfs/dbraw/zinc/75/43/24/442754324.db2.gz RTRQWDCUYHEMGH-UHFFFAOYSA-N 0 0 346.427 1.764 10 0 EDAERN COCCC1(CNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181663169 442708729 /nfs/dbraw/zinc/70/87/29/442708729.db2.gz NZCMJDCQMSDSLL-ZDUSSCGKSA-N 0 0 335.452 1.832 10 0 EDAERN COC(=O)c1cncc(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000193896766 442807909 /nfs/dbraw/zinc/80/79/09/442807909.db2.gz PVESIMAPFKPXRY-ZDUSSCGKSA-N 0 0 336.369 1.987 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000193819301 442793421 /nfs/dbraw/zinc/79/34/21/442793421.db2.gz PUOBERFRYYVEQB-MWLCHTKSSA-N 0 0 348.733 1.862 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]3CCO)CCO2)[nH]1 ZINC000188542522 442761736 /nfs/dbraw/zinc/76/17/36/442761736.db2.gz LMBICUHEUZHBDA-UPJWGTAASA-N 0 0 337.424 1.001 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000188557316 442762844 /nfs/dbraw/zinc/76/28/44/442762844.db2.gz UGGKNZFEEBRLFZ-UHFFFAOYSA-N 0 0 338.307 1.094 10 0 EDAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCO[C@H](c2nccs2)C1 ZINC000182415484 442765069 /nfs/dbraw/zinc/76/50/69/442765069.db2.gz TYLWYWDSAKKCIJ-AWEZNQCLSA-N 0 0 343.408 1.780 10 0 EDAERN CNC(=O)[C@H](NCc1coc(-c2ccc(C(=O)OC)cc2)n1)C(C)C ZINC000182436425 442766877 /nfs/dbraw/zinc/76/68/77/442766877.db2.gz IKXGYZXIWXRZLS-OAHLLOKOSA-N 0 0 345.399 1.988 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(F)c(Cl)c1F ZINC000182706632 442810907 /nfs/dbraw/zinc/81/09/07/442810907.db2.gz ODXCINAKQGLMQL-VIFPVBQESA-N 0 0 334.750 1.041 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)CCN1C[C@@H](C)O ZINC000246950040 442823997 /nfs/dbraw/zinc/82/39/97/442823997.db2.gz SFPAKSAETXOWNX-BZHBSQSBSA-N 0 0 338.473 1.341 10 0 EDAERN COCCN1CCN([C@@H]2CCN(c3ccc(C)cc3)C2=O)C[C@@H]1C ZINC000246955961 442824805 /nfs/dbraw/zinc/82/48/05/442824805.db2.gz RHDYQOYKURTMOM-FUHWJXTLSA-N 0 0 331.460 1.753 10 0 EDAERN O=C(NC1CN(C(=O)NCCc2ccc(Cl)nc2)C1)C1CCC1 ZINC000188896997 442837949 /nfs/dbraw/zinc/83/79/49/442837949.db2.gz HCGNCRIUGHPEDY-UHFFFAOYSA-N 0 0 336.823 1.588 10 0 EDAERN CN1CCO[C@H](CNC(=O)COc2ccc(Br)cc2)C1 ZINC000194631956 442927292 /nfs/dbraw/zinc/92/72/92/442927292.db2.gz SXALBBCXXVSKCI-CYBMUJFWSA-N 0 0 343.221 1.275 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)C1)C1CC1 ZINC000189425689 442949834 /nfs/dbraw/zinc/94/98/34/442949834.db2.gz JCOOLUZUSIRSJR-UHFFFAOYSA-N 0 0 348.834 1.686 10 0 EDAERN CCOc1cc(CN(C)C(=O)[C@H]2CNC(=O)C2)ccc1OC(F)F ZINC000194798312 442954440 /nfs/dbraw/zinc/95/44/40/442954440.db2.gz AVMHJQASLSNFNV-LLVKDONJSA-N 0 0 342.342 1.781 10 0 EDAERN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@H]1CNC(=O)C1 ZINC000194802876 442955251 /nfs/dbraw/zinc/95/52/51/442955251.db2.gz SXCBWDVXAFXLEP-HUUCEWRRSA-N 0 0 332.400 1.339 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000183745582 442958611 /nfs/dbraw/zinc/95/86/11/442958611.db2.gz ONQCKKJLYUNNGJ-LBPRGKRZSA-N 0 0 343.792 1.794 10 0 EDAERN C[C@@H](CC(=O)N1CC(NC(=O)C2CC2)C1)C(=O)c1cccc(F)c1 ZINC000189460618 442959146 /nfs/dbraw/zinc/95/91/46/442959146.db2.gz ISECUJXKPYGYIB-NSHDSACASA-N 0 0 332.375 1.772 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1)C1CC1 ZINC000189468364 442961412 /nfs/dbraw/zinc/96/14/12/442961412.db2.gz LPMWLUYRXNLYHI-QGZVFWFLSA-N 0 0 344.411 1.595 10 0 EDAERN COc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1OC(F)F ZINC000189468192 442961826 /nfs/dbraw/zinc/96/18/26/442961826.db2.gz OHYHFGDGCMGYBL-UHFFFAOYSA-N 0 0 340.326 1.647 10 0 EDAERN COC(=O)[C@](C)(CNC(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000189687732 442993192 /nfs/dbraw/zinc/99/31/92/442993192.db2.gz NZMNGAVEDWZAKF-GOSISDBHSA-N 0 0 344.415 1.622 10 0 EDAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000249616176 442996468 /nfs/dbraw/zinc/99/64/68/442996468.db2.gz SUTMVNQCHZOOBE-JWZBEHFJSA-N 0 0 343.427 1.237 10 0 EDAERN COCCn1ccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)n1 ZINC000189722042 442997669 /nfs/dbraw/zinc/99/76/69/442997669.db2.gz ITLILFHVIPRJJG-HNNXBMFYSA-N 0 0 331.420 1.857 10 0 EDAERN C[C@H](CCNC(=O)NCCn1ccnc1)NC(=O)OC(C)(C)C ZINC000195464418 443021126 /nfs/dbraw/zinc/02/11/26/443021126.db2.gz HKXPEQJJPDASER-GFCCVEGCSA-N 0 0 325.413 1.486 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(CC(=O)OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000189915359 443028185 /nfs/dbraw/zinc/02/81/85/443028185.db2.gz PIRGKOKSLUBSQJ-PBHICJAKSA-N 0 0 348.443 1.319 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCc2nncn2C2CC2)[C@H]1c1cccs1 ZINC000195530593 443029097 /nfs/dbraw/zinc/02/90/97/443029097.db2.gz FDGYVPQWCCBICY-NHYWBVRUSA-N 0 0 345.428 1.510 10 0 EDAERN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)[C@H]1COCCN1CC(F)(F)F ZINC000252488601 443031052 /nfs/dbraw/zinc/03/10/52/443031052.db2.gz IVJDJDFZOMBRQH-APIJFGDWSA-N 0 0 340.345 1.704 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3cc(-c4cnn(C)c4C)no3)CCO2)[nH]1 ZINC000184583165 443044700 /nfs/dbraw/zinc/04/47/00/443044700.db2.gz PLNYKILECMDEKO-HNNXBMFYSA-N 0 0 343.391 1.384 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000249719014 443000418 /nfs/dbraw/zinc/00/04/18/443000418.db2.gz LAZOLCRBAQFDFX-PMPSAXMXSA-N 0 0 340.464 1.725 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000190346242 443088488 /nfs/dbraw/zinc/08/84/88/443088488.db2.gz QLOSGPPQBVJBAJ-SMDDNHRTSA-N 0 0 326.418 1.691 10 0 EDAERN CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CC#N)C(=O)OC(C)(C)C ZINC000213440290 443053450 /nfs/dbraw/zinc/05/34/50/443053450.db2.gz VLRDCDXYJILQEL-RYUDHWBXSA-N 0 0 325.409 1.277 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000184670707 443056612 /nfs/dbraw/zinc/05/66/12/443056612.db2.gz YASVNTTZUUOSBN-UONOGXRCSA-N 0 0 343.387 1.414 10 0 EDAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000225385230 443100314 /nfs/dbraw/zinc/10/03/14/443100314.db2.gz HATMVBUBCWKKNG-CQSZACIVSA-N 0 0 327.350 1.467 10 0 EDAERN CC(=O)NC1CN(C(=O)CCc2ccc(Br)cc2)C1 ZINC000190446833 443110885 /nfs/dbraw/zinc/11/08/85/443110885.db2.gz WYKGBSWHCIOCBA-UHFFFAOYSA-N 0 0 325.206 1.729 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)C1 ZINC000190476234 443116177 /nfs/dbraw/zinc/11/61/77/443116177.db2.gz HRPYKCLTDZEBIC-CYBMUJFWSA-N 0 0 335.429 1.090 10 0 EDAERN NC(=O)c1ccnc(I)c1OC(F)(F)F ZINC000238631004 443196594 /nfs/dbraw/zinc/19/65/94/443196594.db2.gz BXYRUYIANPSICF-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2cc(C)ccc2Cl)C1 ZINC000185262050 443172508 /nfs/dbraw/zinc/17/25/08/443172508.db2.gz FSLAWGBSBBLINT-NSHDSACASA-N 0 0 340.807 1.389 10 0 EDAERN COCCN1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1=O ZINC000190770896 443180325 /nfs/dbraw/zinc/18/03/25/443180325.db2.gz XICZKAQYCYWZLG-HOTGVXAUSA-N 0 0 347.459 1.433 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000190624025 443151126 /nfs/dbraw/zinc/15/11/26/443151126.db2.gz HUQHEAVJVRCATH-AAEUAGOBSA-N 0 0 338.477 1.879 10 0 EDAERN CC(C)(C)c1ccc(CCNC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185186143 443156998 /nfs/dbraw/zinc/15/69/98/443156998.db2.gz QKDJQOKGUJPBCT-IAGOWNOFSA-N 0 0 334.460 1.070 10 0 EDAERN CO[C@]1(C)C[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1(C)C ZINC000245483236 443231044 /nfs/dbraw/zinc/23/10/44/443231044.db2.gz DZIDLAARGLRNAQ-JKIFEVAISA-N 0 0 325.453 1.306 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCCc2nc(C)no2)C12CCOCC2 ZINC000185651433 443232789 /nfs/dbraw/zinc/23/27/89/443232789.db2.gz GXEKUXPXIVQAQK-QWHCGFSZSA-N 0 0 338.408 1.194 10 0 EDAERN CC(C)[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185499233 443208937 /nfs/dbraw/zinc/20/89/37/443208937.db2.gz IATYARKOOYOIQI-RDJZCZTQSA-N 0 0 347.459 1.800 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H](C)c2c(F)cccc2F)C[C@@H]1C ZINC000245805811 443249988 /nfs/dbraw/zinc/24/99/88/443249988.db2.gz PZTOROXJZQTJBJ-AVGNSLFASA-N 0 0 326.387 1.982 10 0 EDAERN CCN(C)c1ccc(CN[C@@H]2CCCn3nc(COC)nc32)cn1 ZINC000191332431 443279480 /nfs/dbraw/zinc/27/94/80/443279480.db2.gz HVBWNKLNCWOURC-CQSZACIVSA-N 0 0 330.436 1.900 10 0 EDAERN COC1(CNC(=O)N2CC[C@H](N3CCOCC3)C2)CCCCC1 ZINC000185902462 443279842 /nfs/dbraw/zinc/27/98/42/443279842.db2.gz VHRPICUAFWONFP-HNNXBMFYSA-N 0 0 325.453 1.452 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(CO)c2)C12CCOCC2 ZINC000185907907 443280792 /nfs/dbraw/zinc/28/07/92/443280792.db2.gz YKZZYTGMRIYVCT-DLBZAZTESA-N 0 0 348.443 1.952 10 0 EDAERN CCCCOc1cc(OC)ccc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000185924753 443284221 /nfs/dbraw/zinc/28/42/21/443284221.db2.gz RTSROVIMHHMJBT-OAHLLOKOSA-N 0 0 336.432 1.935 10 0 EDAERN CC(=O)NC1CN(C(=O)CSc2nccn2-c2ccccc2C)C1 ZINC000191486321 443301379 /nfs/dbraw/zinc/30/13/79/443301379.db2.gz XAUMUQXYAFKKPH-UHFFFAOYSA-N 0 0 344.440 1.620 10 0 EDAERN CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000186048161 443303583 /nfs/dbraw/zinc/30/35/83/443303583.db2.gz CIXBFVXPNOMJCY-OCCSQVGLSA-N 0 0 335.408 1.150 10 0 EDAERN Cc1nc(C)c(C(=O)N2CCN(C)[C@@H](c3noc(C4CC4)n3)C2)o1 ZINC000299746376 444132924 /nfs/dbraw/zinc/13/29/24/444132924.db2.gz WZLXURUFWULPJD-GFCCVEGCSA-N 0 0 331.376 1.681 10 0 EDAERN CCc1nc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)no1 ZINC000328633763 444405102 /nfs/dbraw/zinc/40/51/02/444405102.db2.gz MHAWPFXDTLWITR-KBPBESRZSA-N 0 0 334.399 1.466 10 0 EDAERN CN(C)c1ccc(N[C@@H]2CCCN(C(=O)Cn3ccnn3)CC2)cn1 ZINC000328636584 444406156 /nfs/dbraw/zinc/40/61/56/444406156.db2.gz OCXRSRCHXNDYNH-CQSZACIVSA-N 0 0 343.435 1.232 10 0 EDAERN CN(Cc1noc(C2CC2)n1)C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328643530 444410856 /nfs/dbraw/zinc/41/08/56/444410856.db2.gz RIRDEMNOVCIRTO-STQMWFEESA-N 0 0 332.383 1.786 10 0 EDAERN Cc1nnc([C@H]2COCCN2C(=O)[C@H]2Cc3cccc(F)c3O2)o1 ZINC000328611723 444393329 /nfs/dbraw/zinc/39/33/29/444393329.db2.gz MOQPNNZORPQBJE-CHWSQXEVSA-N 0 0 333.319 1.421 10 0 EDAERN CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCCn2cccn2)n1C ZINC000328618165 444395701 /nfs/dbraw/zinc/39/57/01/444395701.db2.gz DLEPTMBMPSCHGX-INIZCTEOSA-N 0 0 343.431 1.725 10 0 EDAERN CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCn3cnnc3C2)n1 ZINC000328625372 444399274 /nfs/dbraw/zinc/39/92/74/444399274.db2.gz DBWXDNVCXDZRAA-BBRMVZONSA-N 0 0 343.435 1.704 10 0 EDAERN C[C@@H]1NC(=O)CC[C@H]1Nc1ncc(I)cn1 ZINC000390493179 325732296 /nfs/dbraw/zinc/73/22/96/325732296.db2.gz RAOQXPPDZUPAGC-POYBYMJQSA-N 0 0 332.145 1.160 10 0 EDAERN COc1ncc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000376005170 447205215 /nfs/dbraw/zinc/20/52/15/447205215.db2.gz AKUWEEYCYXUJLL-LBPRGKRZSA-N 0 0 335.795 1.596 10 0 EDAERN COC(=O)Cc1cc(I)cc([N+](=O)[O-])c1N ZINC000575640449 447879475 /nfs/dbraw/zinc/87/94/75/447879475.db2.gz MXMGCCKFRJCEBZ-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CCc1cc(OC)c(I)c(S(N)(=O)=O)c1 ZINC000575705069 447881433 /nfs/dbraw/zinc/88/14/33/447881433.db2.gz DVFXCRPRJRVCNJ-UHFFFAOYSA-N 0 0 341.170 1.510 10 0 EDAERN CSc1cc(I)c(S(N)(=O)=O)cc1C ZINC000575709227 447883078 /nfs/dbraw/zinc/88/30/78/447883078.db2.gz OTAGZHNIOIOBIY-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN Cc1ccc(F)c(CC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 ZINC000570366432 447994376 /nfs/dbraw/zinc/99/43/76/447994376.db2.gz DUHJFSLEGHCQFZ-RVKKMQEKSA-N 0 0 334.391 1.619 10 0 EDAERN O=C(CN1CCC[C@@](O)(c2cn[nH]n2)C1)N(C1CC1)C1CCCC1 ZINC000583617935 448446355 /nfs/dbraw/zinc/44/63/55/448446355.db2.gz LTVSHMVQLJLWQY-KRWDZBQOSA-N 0 0 333.436 1.022 10 0 EDAERN O=C(c1nccn2c(Br)cnc12)N1C[C@@H](F)C[C@H]1CO ZINC000583620536 448450710 /nfs/dbraw/zinc/45/07/10/448450710.db2.gz QZOJSCSCLZJYFV-YUMQZZPRSA-N 0 0 343.156 1.037 10 0 EDAERN NS(=O)(=O)c1cccc(CCc2ccccc2)c1-c1nn[nH]n1 ZINC000584597078 448583812 /nfs/dbraw/zinc/58/38/12/448583812.db2.gz XFGXYXRVMYDSIT-UHFFFAOYSA-N 0 0 329.385 1.299 10 0 EDAERN O=C1N=CNC12CCN(c1c(Cl)cncc1Br)CC2 ZINC000584615220 448585079 /nfs/dbraw/zinc/58/50/79/448585079.db2.gz MJTKLZHVCWYYON-UHFFFAOYSA-N 0 0 343.612 1.995 10 0 EDAERN Cc1cn2nc(N[C@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)ccc2n1 ZINC000578921324 448670305 /nfs/dbraw/zinc/67/03/05/448670305.db2.gz BNDUPZKNNVNTHW-GJZGRUSLSA-N 0 0 343.431 2.010 10 0 EDAERN CC(C)(C)OC(=O)NC1CCN(c2ncc(F)c3nncn32)CC1 ZINC000584904549 448673077 /nfs/dbraw/zinc/67/30/77/448673077.db2.gz ALVAMQOBCIZUOV-UHFFFAOYSA-N 0 0 336.371 1.757 10 0 EDAERN CCOC(=O)C1=CN=C2C=CC(I)=CN2[C@H]1O ZINC000585656144 448737301 /nfs/dbraw/zinc/73/73/01/448737301.db2.gz IDWIETMSBMUOFF-JTQLQIEISA-N 0 0 346.124 1.312 10 0 EDAERN COc1ccnc(N2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)n1 ZINC000548662093 449074149 /nfs/dbraw/zinc/07/41/49/449074149.db2.gz MYXNELIEIUXVQJ-OAHLLOKOSA-N 0 0 333.417 1.492 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)N2CCC(F)(F)C2)[C@H]1c1ccnn1C ZINC000613276452 450113555 /nfs/dbraw/zinc/11/35/55/450113555.db2.gz DMNRUDGOKOCINQ-FZMZJTMJSA-N 0 0 340.374 1.587 10 0 EDAERN COc1ccc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000619004396 450373746 /nfs/dbraw/zinc/37/37/46/450373746.db2.gz WFVPBSSMSBVLNF-SECBINFHSA-N 0 0 341.205 1.666 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2ccc3nnccc3c2)Nc2ccccc21 ZINC000616584174 450453613 /nfs/dbraw/zinc/45/36/13/450453613.db2.gz OKCPDLIPJZRYSV-HNNXBMFYSA-N 0 0 341.396 1.807 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOCC[C@H]1OC(F)(F)F ZINC000616658519 450457555 /nfs/dbraw/zinc/45/75/55/450457555.db2.gz IMQSKHSMDFVTOU-LLVKDONJSA-N 0 0 325.308 1.960 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2cccc(CO)c2)C1 ZINC000616655091 450457613 /nfs/dbraw/zinc/45/76/13/450457613.db2.gz UFLOITUBANNRCF-QGZVFWFLSA-N 0 0 332.425 1.514 10 0 EDAERN Cn1cc(O[C@@H]2CN(Cc3cc(Cl)cc4c3OCC4)C[C@H]2O)cn1 ZINC000625628942 450457994 /nfs/dbraw/zinc/45/79/94/450457994.db2.gz LUXUBNJOJZIIMP-HZPDHXFCSA-N 0 0 349.818 1.633 10 0 EDAERN CS(=O)(=O)N1C[C@H](c2ccc(C(N)=O)cc2)Cc2ccccc21 ZINC000616674446 450459501 /nfs/dbraw/zinc/45/95/01/450459501.db2.gz TYQWHYZGQPGDKQ-OAHLLOKOSA-N 0 0 330.409 1.891 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@@H]1c1cnnc2ccccc21 ZINC000616684340 450460173 /nfs/dbraw/zinc/46/01/73/450460173.db2.gz ZXTVEKARLYLPCF-MRXNPFEDSA-N 0 0 341.396 1.807 10 0 EDAERN CC(=O)Nc1ccc([C@H]2CN(S(N)(=O)=O)c3ccccc3N2)cc1 ZINC000616692146 450461285 /nfs/dbraw/zinc/46/12/85/450461285.db2.gz QBTYBBZZVIMDCG-OAHLLOKOSA-N 0 0 346.412 1.822 10 0 EDAERN COc1cccc2c(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)ccnc12 ZINC000624423695 450844795 /nfs/dbraw/zinc/84/47/95/450844795.db2.gz QDZKZQPGPXZFOK-NVXWUHKLSA-N 0 0 340.383 1.605 10 0 EDAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccc(Cl)cc1Br ZINC000629238910 451613214 /nfs/dbraw/zinc/61/32/14/451613214.db2.gz ZHRQRRYSXCZTCP-WDEREUQCSA-N 0 0 334.597 1.982 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)NCCCN2C(=O)CNC2=O)cc1F ZINC000087100288 491190781 /nfs/dbraw/zinc/19/07/81/491190781.db2.gz CVJGNEZBGDOCKO-NSHDSACASA-N 0 0 336.367 1.436 10 0 EDAERN C[C@H](NC(=O)C[C@H]1c2ccccc2NC1=O)c1nnc2n1CCCC2 ZINC000135266664 491228649 /nfs/dbraw/zinc/22/86/49/491228649.db2.gz WIZMZAOSUKLVKH-AAEUAGOBSA-N 0 0 339.399 1.918 10 0 EDAERN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313468 490997317 /nfs/dbraw/zinc/99/73/17/490997317.db2.gz YXLZSYNWSHEDPW-ZDUSSCGKSA-N 0 0 342.399 1.942 10 0 EDAERN O=S(=O)(CC[C@@H]1CCCO1)N1CCC(Cn2cccn2)CC1 ZINC000121206928 490998844 /nfs/dbraw/zinc/99/88/44/490998844.db2.gz VZKZJTJRIKWTTF-HNNXBMFYSA-N 0 0 327.450 1.494 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Nc3cnc(C4CC4)nc3)CCO2)[nH]1 ZINC000122530385 491000671 /nfs/dbraw/zinc/00/06/71/491000671.db2.gz VQJBWQJEMJGHGB-GFCCVEGCSA-N 0 0 343.391 1.640 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)O1 ZINC000183797316 491004726 /nfs/dbraw/zinc/00/47/26/491004726.db2.gz HDMGIRZCFHJDGD-DOMZBBRYSA-N 0 0 338.429 1.410 10 0 EDAERN COc1ccc(Cl)c(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187929124 533827123 /nfs/dbraw/zinc/82/71/23/533827123.db2.gz HIPOEJLGDQPMQV-UHFFFAOYSA-N 0 0 344.820 1.248 10 0 EDAERN COc1ccc(Cl)cc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190323484 533854991 /nfs/dbraw/zinc/85/49/91/533854991.db2.gz VETFYHIHZOEIAO-UHFFFAOYSA-N 0 0 337.807 1.769 10 0 EDAERN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@H]1N1CCOCC1 ZINC000173967685 534394971 /nfs/dbraw/zinc/39/49/71/534394971.db2.gz NQLZSABXLSYILG-RHSMWYFYSA-N 0 0 340.427 1.869 10 0 EDAERN O=C([C@@H](O)c1ccccc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174651498 534574086 /nfs/dbraw/zinc/57/40/86/534574086.db2.gz FQZBBBFPIMJTKD-MOPGFXCFSA-N 0 0 340.423 1.598 10 0 EDAERN CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000249688044 534582201 /nfs/dbraw/zinc/58/22/01/534582201.db2.gz SNATVXRBCHYMSZ-SJKOYZFVSA-N 0 0 331.416 1.817 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cccc2cccnc21 ZINC000176743346 534871287 /nfs/dbraw/zinc/87/12/87/534871287.db2.gz VVUPBUPEFFNCJA-LBPRGKRZSA-N 0 0 329.385 1.640 10 0 EDAERN CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000253568231 534871280 /nfs/dbraw/zinc/87/12/80/534871280.db2.gz KYMSBGDIOMHOHE-CYBMUJFWSA-N 0 0 341.452 1.800 10 0 EDAERN CC(=O)N1CCN(c2cccc(NC(=O)C[C@@H](O)C(C)C)c2)CC1 ZINC000187131389 526634873 /nfs/dbraw/zinc/63/48/73/526634873.db2.gz ZZVIRQXOHYSYTO-QGZVFWFLSA-N 0 0 333.432 1.701 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1 ZINC000190504546 526714355 /nfs/dbraw/zinc/71/43/55/526714355.db2.gz HJKDGHXPQKARHZ-UHFFFAOYSA-N 0 0 338.795 1.394 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000173960556 527162883 /nfs/dbraw/zinc/16/28/83/527162883.db2.gz HNESDLIGCGRIIF-IAQYHMDHSA-N 0 0 333.432 1.627 10 0 EDAERN CC(C)[NH2+]C[C@H]1CCCCN1c1nc[n-]c(=O)c1Br ZINC000165358715 527735635 /nfs/dbraw/zinc/73/56/35/527735635.db2.gz AFNAXAQCTFJVAI-SNVBAGLBSA-N 0 0 329.242 1.889 10 0 EDAERN CCOC(=O)[C@@H](CC)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000173688141 527775192 /nfs/dbraw/zinc/77/51/92/527775192.db2.gz LMBFQJRURBKMOA-CQSZACIVSA-N 0 0 336.436 1.647 10 0 EDAERN CCCN(CC(=O)OC)S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164723601 527907725 /nfs/dbraw/zinc/90/77/25/527907725.db2.gz GDJNOOGLTWNVRV-UHFFFAOYSA-N 0 0 334.825 1.804 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)Cc2nc3ncccn3n2)C12CCCC2 ZINC000172587694 528127537 /nfs/dbraw/zinc/12/75/37/528127537.db2.gz MJPIOSXCBHDVDJ-KBPBESRZSA-N 0 0 343.431 1.863 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)s1 ZINC000190308789 528220844 /nfs/dbraw/zinc/22/08/44/528220844.db2.gz FRZQYLKANUBYTI-NSHDSACASA-N 0 0 340.449 1.042 10 0 EDAERN CC(C)c1nc(S(N)(=O)=O)cn1CCCOCC(F)(F)F ZINC000156688346 528299964 /nfs/dbraw/zinc/29/99/64/528299964.db2.gz CJJBZOWYLLFVQB-UHFFFAOYSA-N 0 0 329.344 1.623 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CN1CCCCCC1=O)CC2 ZINC000172420874 528334781 /nfs/dbraw/zinc/33/47/81/528334781.db2.gz ZJNXEQNMDHVJGU-ZDUSSCGKSA-N 0 0 333.436 1.235 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(C(N)=O)cs1)CC2 ZINC000136843271 528335906 /nfs/dbraw/zinc/33/59/06/528335906.db2.gz JJFWFSFAXIPSPJ-JTQLQIEISA-N 0 0 333.417 1.307 10 0 EDAERN CCOC(=O)c1nnc(S[C@H]2CCC[C@H](S(C)(=O)=O)C2)o1 ZINC000169189265 528381061 /nfs/dbraw/zinc/38/10/61/528381061.db2.gz BNIQTSWYFFAJNT-IUCAKERBSA-N 0 0 334.419 1.694 10 0 EDAERN CCN(CCCNC(=O)N1CCC[C@@H]1C(=O)NC)c1ccccc1 ZINC000155209651 528454300 /nfs/dbraw/zinc/45/43/00/528454300.db2.gz QTZCCTHYQWGSQH-MRXNPFEDSA-N 0 0 332.448 1.823 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177559261 528459442 /nfs/dbraw/zinc/45/94/42/528459442.db2.gz WRHMRVSMSYCVFI-CQSZACIVSA-N 0 0 327.388 1.683 10 0 EDAERN CC(C)c1noc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1 ZINC000172756849 528503662 /nfs/dbraw/zinc/50/36/62/528503662.db2.gz GFWBLTZDABFVIP-OAHLLOKOSA-N 0 0 346.431 1.755 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000158659237 528613985 /nfs/dbraw/zinc/61/39/85/528613985.db2.gz HPNIZUOPNNUWGD-CABCVRRESA-N 0 0 337.395 1.955 10 0 EDAERN CC(C)n1nnnc1CN(C)Cc1ccccc1N1CCOCC1 ZINC000154755885 528699505 /nfs/dbraw/zinc/69/95/05/528699505.db2.gz LZRKCRIFUAKHPP-UHFFFAOYSA-N 0 0 330.436 1.723 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N[C@H](C)c1cccs1 ZINC000176572652 528703510 /nfs/dbraw/zinc/70/35/10/528703510.db2.gz GRYJCGKAHQCBGP-STFLBKPXSA-N 0 0 341.462 1.442 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CC(C)(C)OC ZINC000173848626 528808558 /nfs/dbraw/zinc/80/85/58/528808558.db2.gz MXUJNNMLKFVTCQ-STQMWFEESA-N 0 0 334.482 1.510 10 0 EDAERN CCCn1cc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000181218154 528835573 /nfs/dbraw/zinc/83/55/73/528835573.db2.gz XSYNUDZRWQMIKL-CQSZACIVSA-N 0 0 344.419 1.260 10 0 EDAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171334355 528849048 /nfs/dbraw/zinc/84/90/48/528849048.db2.gz RMAHZSUAVHNYFV-QWHCGFSZSA-N 0 0 337.424 1.386 10 0 EDAERN CC1(C)CN(S(=O)(=O)c2ccc(F)c(CO)c2F)CCS1 ZINC000159293536 529127498 /nfs/dbraw/zinc/12/74/98/529127498.db2.gz UGANBHDWQXRLNY-UHFFFAOYSA-N 0 0 337.413 1.973 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(OC)n[nH]1 ZINC000179704243 529218767 /nfs/dbraw/zinc/21/87/67/529218767.db2.gz AWHAVTBLWZRYTN-CMPLNLGQSA-N 0 0 331.376 1.597 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(=O)[nH]n1 ZINC000187430403 529256153 /nfs/dbraw/zinc/25/61/53/529256153.db2.gz ZWVREUQBOTYPJV-NHYWBVRUSA-N 0 0 328.372 1.965 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)CCN1C[C@@H](C)O ZINC000174609666 529281849 /nfs/dbraw/zinc/28/18/49/529281849.db2.gz SGANNYSMJKGXNA-OCCSQVGLSA-N 0 0 338.473 1.738 10 0 EDAERN CC[C@@H](C)NC(=O)c1cc(C)c(Br)c(S(N)(=O)=O)c1 ZINC000138037919 529372057 /nfs/dbraw/zinc/37/20/57/529372057.db2.gz IXEZNKXDCFAVEB-MRVPVSSYSA-N 0 0 349.250 1.933 10 0 EDAERN CC(C)n1nnnc1CSc1n[nH]c(=O)n1CCc1ccccc1 ZINC000195517058 535172052 /nfs/dbraw/zinc/17/20/52/535172052.db2.gz QEGZPFZTIMCQFR-UHFFFAOYSA-N 0 0 345.432 1.674 10 0 EDAERN CC(C)[C@H]1N(C(=O)NCCN2CCOC(C)(C)C2)C[C@@]12CCCO2 ZINC000333709352 535273048 /nfs/dbraw/zinc/27/30/48/535273048.db2.gz GDSUEFGNIICRRG-QAPCUYQASA-N 0 0 339.480 1.696 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187933057 535348879 /nfs/dbraw/zinc/34/88/79/535348879.db2.gz UXFGYNXNKKJTFB-UHFFFAOYSA-N 0 0 336.413 1.178 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000163368095 535412831 /nfs/dbraw/zinc/41/28/31/535412831.db2.gz CZPHYJMVMGJMGS-QAPCUYQASA-N 0 0 339.480 1.972 10 0 EDAERN CCO[C@H](CNC(=O)N1CCN(C[C@@H](O)CC)CC1)c1ccccc1 ZINC000195175977 535614340 /nfs/dbraw/zinc/61/43/40/535614340.db2.gz XIZSIANYLKCUTB-ZWKOTPCHSA-N 0 0 349.475 1.862 10 0 EDAERN CCc1noc(CC)c1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000133016703 535893423 /nfs/dbraw/zinc/89/34/23/535893423.db2.gz UQDXIRPZOFWAKG-CQSZACIVSA-N 0 0 348.407 1.509 10 0 EDAERN CC[C@H](C)CS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247527963 536132035 /nfs/dbraw/zinc/13/20/35/536132035.db2.gz XGZFJUNVRIFWJS-SWLSCSKDSA-N 0 0 329.466 1.577 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(O)c(OC)c1)CC2 ZINC000172306794 536164541 /nfs/dbraw/zinc/16/45/41/536164541.db2.gz WAYFDHMTKVVRET-GFCCVEGCSA-N 0 0 345.403 1.369 10 0 EDAERN CN1C[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)Cc2ccccc21 ZINC000333355633 536485050 /nfs/dbraw/zinc/48/50/50/536485050.db2.gz SLRIEUZDTHIQAS-CJNGLKHVSA-N 0 0 336.457 1.379 10 0 EDAERN COc1cccc([C@H]2C[C@H]2C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188527688 536911149 /nfs/dbraw/zinc/91/11/49/536911149.db2.gz TUVBUBNLLNHTEC-IAGOWNOFSA-N 0 0 328.412 1.926 10 0 EDAERN CCc1noc(CC)c1CNC(=O)CN1CCCC[C@@H](OC)C1=O ZINC000888076602 590931046 /nfs/dbraw/zinc/93/10/46/590931046.db2.gz YGAUVITYIVOXSP-OAHLLOKOSA-N 0 0 337.420 1.443 10 0 EDAERN Cn1cnnc1C[C@]1(O)CCCN(Cc2noc(C(C)(C)C)n2)C1 ZINC000888077133 590931979 /nfs/dbraw/zinc/93/19/79/590931979.db2.gz MNIJVABOZNDYIT-MRXNPFEDSA-N 0 0 334.424 1.065 10 0 EDAERN Cc1nn(C)c2nc(N3CCO[C@@H](Cn4cncn4)C3)cc(Cl)c12 ZINC000892378625 591001344 /nfs/dbraw/zinc/00/13/44/591001344.db2.gz IWTMFPIVQSZYFB-LLVKDONJSA-N 0 0 347.810 1.427 10 0 EDAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ccc3c(n2)OCCO3)cn1 ZINC000888094725 591024669 /nfs/dbraw/zinc/02/46/69/591024669.db2.gz BUEXGYAPDNFORC-GXTWGEPZSA-N 0 0 344.371 1.316 10 0 EDAERN Cc1ccc(OCC(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cc1C ZINC000888094814 591025477 /nfs/dbraw/zinc/02/54/77/591025477.db2.gz CWXLANCVDSFSHS-JKSUJKDBSA-N 0 0 331.372 1.368 10 0 EDAERN C[C@@H](NC(=O)c1cn(C)nc1[C@@H]1CCOC1)c1cc2n(n1)CCCC2 ZINC000898394475 591339868 /nfs/dbraw/zinc/33/98/68/591339868.db2.gz GISIPAPYJYPFAM-CHWSQXEVSA-N 0 0 343.431 1.948 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc(=O)[nH][nH]1 ZINC000898865844 591569302 /nfs/dbraw/zinc/56/93/02/591569302.db2.gz AHOVISWVZKICBZ-VHSXEESVSA-N 0 0 348.790 1.999 10 0 EDAERN O=C(CNC(=O)c1cccs1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899071985 591672553 /nfs/dbraw/zinc/67/25/53/591672553.db2.gz LGYSDEUQLBZQTH-GFCCVEGCSA-N 0 0 345.428 1.420 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@H](O)c2cc3ccccc3s2)C1 ZINC000150729890 593097389 /nfs/dbraw/zinc/09/73/89/593097389.db2.gz DXNGSUYKQUXJLM-KBPBESRZSA-N 0 0 349.456 1.565 10 0 EDAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000101572829 595177550 /nfs/dbraw/zinc/17/75/50/595177550.db2.gz MEQUCSSCBNXCKH-GFCCVEGCSA-N 0 0 331.825 1.165 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1C(N)=O ZINC000112856414 595551079 /nfs/dbraw/zinc/55/10/79/595551079.db2.gz JPIKIHKBMQXNKN-LLVKDONJSA-N 0 0 326.356 1.934 10 0 EDAERN COCCN1CCN(C(=O)c2cccnc2-n2cccn2)C[C@H]1C ZINC000117284715 595614900 /nfs/dbraw/zinc/61/49/00/595614900.db2.gz FNNACRHYZYSIQC-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN C[C@H]1CC(=O)N(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000113924801 595906431 /nfs/dbraw/zinc/90/64/31/595906431.db2.gz FXELSMJRLWKAJC-HNNXBMFYSA-N 0 0 333.480 1.582 10 0 EDAERN O=C([C@@H]1OCC[C@@H]1Cn1cccn1)N1CC(O)(c2ccccc2)C1 ZINC000857258452 596199883 /nfs/dbraw/zinc/19/98/83/596199883.db2.gz WJEDDJPPCXZELX-GDBMZVCRSA-N 0 0 327.384 1.018 10 0 EDAERN COCC[C@@H](C)NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117042480 596228947 /nfs/dbraw/zinc/22/89/47/596228947.db2.gz REVFKJAAKBDOBE-NVXWUHKLSA-N 0 0 335.448 1.472 10 0 EDAERN CCCn1c(CO)nn(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1=S ZINC000120598341 596589469 /nfs/dbraw/zinc/58/94/69/596589469.db2.gz FAJLKVFYZGVOEF-CJNGLKHVSA-N 0 0 340.493 1.901 10 0 EDAERN O=c1n(CNC2(c3noc(C4CC4)n3)CCCC2)nc2ccccn21 ZINC000132244355 597815263 /nfs/dbraw/zinc/81/52/63/597815263.db2.gz LZSMRONYSJNSEL-UHFFFAOYSA-N 0 0 340.387 1.773 10 0 EDAERN Cc1ccnc(Nc2ncnc(NCCCN3CCOCC3)c2N)c1 ZINC000040701312 602691686 /nfs/dbraw/zinc/69/16/86/602691686.db2.gz SVQPPLMTTAPLBJ-UHFFFAOYSA-N 0 0 343.435 1.640 10 0 EDAERN C[C@@H]1C[C@@H](C(=O)OCCN(C)S(=O)(=O)N(C)C)CC(C)(C)C1 ZINC000183226768 701551990 /nfs/dbraw/zinc/55/19/90/701551990.db2.gz ZOTCWHQYWDSNJH-CHWSQXEVSA-N 0 0 334.482 1.730 10 0 EDAERN C[C@H](NCC(=O)OCc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000181562801 699777283 /nfs/dbraw/zinc/77/72/83/699777283.db2.gz KLZJWHZZUGJWDD-ZDUSSCGKSA-N 0 0 348.424 1.728 10 0 EDAERN C[C@H](O)c1ccn(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000185478397 702136146 /nfs/dbraw/zinc/13/61/46/702136146.db2.gz LXIUDUVSYGPLJU-QMMMGPOBSA-N 0 0 325.271 1.897 10 0 EDAERN NS(=O)(=O)c1cc(Br)ccc1OC[C@H]1CCCO1 ZINC000050428414 214057313 /nfs/dbraw/zinc/05/73/13/214057313.db2.gz YMNQFBFQIXBJHS-SECBINFHSA-N 0 0 336.207 1.654 10 0 EDAERN Nc1cc(Cl)ccc1-c1nnnn1C[C@@H]1CCS(=O)(=O)C1 ZINC000050604480 214060321 /nfs/dbraw/zinc/06/03/21/214060321.db2.gz JTXJSVSQWQMJSQ-QMMMGPOBSA-N 0 0 327.797 1.010 10 0 EDAERN CCCNC(=O)[C@H](C)NC(=O)c1cc(Br)cnc1NC ZINC000050790717 214070799 /nfs/dbraw/zinc/07/07/99/214070799.db2.gz IJRSDTQBJZGNNY-QMMMGPOBSA-N 0 0 343.225 1.530 10 0 EDAERN CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1ccccc1C(N)=S ZINC000053246787 214172476 /nfs/dbraw/zinc/17/24/76/214172476.db2.gz VTKQHDTVAHPNMB-LLVKDONJSA-N 0 0 327.475 1.036 10 0 EDAERN O=C(c1cc(F)cc2nc[nH]c21)N1CCN(Cc2ccon2)CC1 ZINC000172800188 230823428 /nfs/dbraw/zinc/82/34/28/230823428.db2.gz QPTZOCMSHPNIEN-UHFFFAOYSA-N 0 0 329.335 1.648 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCN1C[C@@H](C)O ZINC000174605753 529382905 /nfs/dbraw/zinc/38/29/05/529382905.db2.gz JRKIZYHGZXUFJI-HUUCEWRRSA-N 0 0 343.431 1.185 10 0 EDAERN CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)C3=CCCC3)C2)CC1 ZINC000055053553 214267845 /nfs/dbraw/zinc/26/78/45/214267845.db2.gz UZDRMMSGEJVVNJ-MRXNPFEDSA-N 0 0 335.448 1.862 10 0 EDAERN C[C@@H]1CC(=O)N(CC(=O)Nc2ccc(N)cc2Br)C1 ZINC000062815859 214732452 /nfs/dbraw/zinc/73/24/52/214732452.db2.gz GVCGIBZRXPEWHQ-MRVPVSSYSA-N 0 0 326.194 1.838 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173690723 231007174 /nfs/dbraw/zinc/00/71/74/231007174.db2.gz KOOGTFDRHRPUES-HNNXBMFYSA-N 0 0 327.388 1.697 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3nc(-c4ccc(F)cc4)no3)CCO2)[nH]1 ZINC000173666181 231000627 /nfs/dbraw/zinc/00/06/27/231000627.db2.gz RBDMNZKKRQRGPY-ZDUSSCGKSA-N 0 0 344.350 1.876 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000173676175 231002647 /nfs/dbraw/zinc/00/26/47/231002647.db2.gz WPQQPRRIVBKKRL-HNNXBMFYSA-N 0 0 329.404 1.742 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3nc(N)c4ccccc4n3)CCO2)[nH]1 ZINC000173680482 231003803 /nfs/dbraw/zinc/00/38/03/231003803.db2.gz VPYXXHBLHUFJPM-ZDUSSCGKSA-N 0 0 325.376 1.212 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000173818509 231043148 /nfs/dbraw/zinc/04/31/48/231043148.db2.gz FXOUUJAXJMBYRS-HZMBPMFUSA-N 0 0 328.334 1.897 10 0 EDAERN Cc1nc(CN2CCCN(S(=O)(=O)CCC(C)(C)C)CC2)no1 ZINC000173827265 231045681 /nfs/dbraw/zinc/04/56/81/231045681.db2.gz UNQSIJAEAULZOI-UHFFFAOYSA-N 0 0 344.481 1.652 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1N1CCOCC1 ZINC000173959506 231082275 /nfs/dbraw/zinc/08/22/75/231082275.db2.gz DXMVLZDMNPLQDD-GDBMZVCRSA-N 0 0 341.415 1.060 10 0 EDAERN O=S(=O)(c1cc(F)c(F)cc1F)N1CCC[C@H](n2cncn2)C1 ZINC000173983230 231089959 /nfs/dbraw/zinc/08/99/59/231089959.db2.gz GSPRGRGGKNJODV-VIFPVBQESA-N 0 0 346.334 1.721 10 0 EDAERN C[C@H](CC(N)=S)N(C)S(=O)(=O)c1cccc2nsnc21 ZINC000063088565 214742719 /nfs/dbraw/zinc/74/27/19/214742719.db2.gz QRBKQSRNMXAGGG-SSDOTTSWSA-N 0 0 330.460 1.377 10 0 EDAERN COc1ccc([C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC ZINC000056093195 214357877 /nfs/dbraw/zinc/35/78/77/214357877.db2.gz OAJJVQCKZNTCQT-JTQLQIEISA-N 0 0 325.390 1.477 10 0 EDAERN COCCOc1ccccc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174354036 231186233 /nfs/dbraw/zinc/18/62/33/231186233.db2.gz AFYJDMANZDUCIV-LSDHHAIUSA-N 0 0 336.432 1.239 10 0 EDAERN COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000174589889 231250232 /nfs/dbraw/zinc/25/02/32/231250232.db2.gz OEXDQKNCNUHOEG-CYBMUJFWSA-N 0 0 344.415 1.536 10 0 EDAERN COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000125886406 222622838 /nfs/dbraw/zinc/62/28/38/222622838.db2.gz FARGJMNWVIMUAA-HNNXBMFYSA-N 0 0 336.436 1.892 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3c(C)nn(C)c3C)C2=O)n(C)n1 ZINC000174975334 231358922 /nfs/dbraw/zinc/35/89/22/231358922.db2.gz LTZGFJLDXYGEHQ-CYBMUJFWSA-N 0 0 344.419 1.004 10 0 EDAERN CC=CC=CC(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000097996308 219066398 /nfs/dbraw/zinc/06/63/98/219066398.db2.gz QKPZBVACIGGOKG-SCFJQAPRSA-N 0 0 337.397 1.941 10 0 EDAERN CS(=O)(=O)N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000049676809 214026855 /nfs/dbraw/zinc/02/68/55/214026855.db2.gz FPOTYZKSNHWPOZ-JTQLQIEISA-N 0 0 334.756 1.368 10 0 EDAERN CC(C)CCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 ZINC000049676344 214026693 /nfs/dbraw/zinc/02/66/93/214026693.db2.gz UARXHLCRPQDEQI-CQSZACIVSA-N 0 0 338.429 1.529 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NC3C[C@@H](C)O[C@H](C)C3)CCO2)[nH]1 ZINC000154881479 529699503 /nfs/dbraw/zinc/69/95/03/529699503.db2.gz VCZIWIRJNKBXEH-WZRBSPASSA-N 0 0 337.424 1.406 10 0 EDAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000152880541 529700933 /nfs/dbraw/zinc/70/09/33/529700933.db2.gz HZYJWBLWLOAEHR-ABAIWWIYSA-N 0 0 325.430 1.950 10 0 EDAERN CC(C)(C)OC(=O)[C@H](C(=O)[O-])[C@H](O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000098088454 219082047 /nfs/dbraw/zinc/08/20/47/219082047.db2.gz WXDMUXIQGLWPEU-VHDGCEQUSA-N 0 0 348.399 1.441 10 0 EDAERN CCN(CC(=O)OC)C(=O)c1cc(N)c(F)cc1Br ZINC000061088965 214655244 /nfs/dbraw/zinc/65/52/44/214655244.db2.gz RFNQGFVZEFLYRP-UHFFFAOYSA-N 0 0 333.157 1.806 10 0 EDAERN Cn1ccn(CCOc2cccc(Br)c2)c(=O)c1=O ZINC000061797249 214678326 /nfs/dbraw/zinc/67/83/26/214678326.db2.gz GVCXAWYJKPMBOF-UHFFFAOYSA-N 0 0 325.162 1.389 10 0 EDAERN Cc1cc(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)[nH]1 ZINC000062104448 214698504 /nfs/dbraw/zinc/69/85/04/214698504.db2.gz KWLRNNQPVVPMRR-UHFFFAOYSA-N 0 0 347.440 1.671 10 0 EDAERN Cc1nn(C)c2sc(C(=O)N3CC[C@@H](N4CCOCC4)C3)cc12 ZINC000172757281 282291515 /nfs/dbraw/zinc/29/15/15/282291515.db2.gz ZNEXACAYAVNBLX-GFCCVEGCSA-N 0 0 334.445 1.490 10 0 EDAERN Cc1ccnc(Nc2nc(CC(=O)N3CCNC(=O)C3)cs2)c1 ZINC000049452285 214007997 /nfs/dbraw/zinc/00/79/97/214007997.db2.gz FCJXTEZZKJFYHK-UHFFFAOYSA-N 0 0 331.401 1.091 10 0 EDAERN CC[C@@H](C(=O)N(C)Cc1ccco1)N1c2cc(C)nn2CCC1=O ZINC000064817710 214806214 /nfs/dbraw/zinc/80/62/14/214806214.db2.gz QMMVLYYGIUSCNS-AWEZNQCLSA-N 0 0 330.388 1.958 10 0 EDAERN O=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177366427 231872125 /nfs/dbraw/zinc/87/21/25/231872125.db2.gz BWXXKGHIYFGJKH-OLZOCXBDSA-N 0 0 335.795 1.799 10 0 EDAERN CNC(=O)[C@H]1COCCN1C(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000159177391 529929137 /nfs/dbraw/zinc/92/91/37/529929137.db2.gz IMTOMJAYHOAJMO-SNVBAGLBSA-N 0 0 332.187 1.163 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000166807534 529923060 /nfs/dbraw/zinc/92/30/60/529923060.db2.gz QTHDEEOLCCIPEK-CYBMUJFWSA-N 0 0 342.355 1.017 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000177603827 231936911 /nfs/dbraw/zinc/93/69/11/231936911.db2.gz GOSLVXUWNUVCTL-OCCSQVGLSA-N 0 0 329.335 1.562 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177577259 231932534 /nfs/dbraw/zinc/93/25/34/231932534.db2.gz HKAMEGDVTMSKOP-UKRRQHHQSA-N 0 0 331.416 1.654 10 0 EDAERN COC(=O)c1nn(C)c(N)c1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000725254537 539391021 /nfs/dbraw/zinc/39/10/21/539391021.db2.gz XICNZFYUCFNNAK-VIFPVBQESA-N 0 0 340.380 1.097 10 0 EDAERN C[NH2+][C@@H](Cn1c(C)nc(Br)c1Br)C(=O)[O-] ZINC000725256128 539392994 /nfs/dbraw/zinc/39/29/94/539392994.db2.gz UWZGESITGPLWDC-YFKPBYRVSA-N 0 0 341.003 1.389 10 0 EDAERN CN(Cc1ccccc1F)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171616871 530002210 /nfs/dbraw/zinc/00/22/10/530002210.db2.gz FCHWPVHUGASIQI-HNNXBMFYSA-N 0 0 331.395 1.713 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCc2nccc(N)n2)[C@H]1c1ccccc1 ZINC000178568085 530041832 /nfs/dbraw/zinc/04/18/32/530041832.db2.gz FVEQFMPJFYQSLL-SUMWQHHRSA-N 0 0 339.399 1.285 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)CN3CCC(C)CC3)C2=O)n(C)n1 ZINC000178278341 232124667 /nfs/dbraw/zinc/12/46/67/232124667.db2.gz WXVPHOIGRPOWAC-OAHLLOKOSA-N 0 0 347.463 1.072 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@](C)(c2cccnc2Cl)C1=O ZINC000178341540 232140738 /nfs/dbraw/zinc/14/07/38/232140738.db2.gz FYGNKYNXECPNGN-OAHLLOKOSA-N 0 0 348.794 1.622 10 0 EDAERN CCOCCOc1ccc(-c2nc(N)nc(C)c2C(=O)NC)cc1 ZINC000066136027 215015439 /nfs/dbraw/zinc/01/54/39/215015439.db2.gz JCMKDEYQXQKPNY-UHFFFAOYSA-N 0 0 330.388 1.809 10 0 EDAERN COc1cc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc(OC)c1OC ZINC000066139094 215015091 /nfs/dbraw/zinc/01/50/91/215015091.db2.gz LBQLIQPYQJBLEK-UHFFFAOYSA-N 0 0 346.387 1.762 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C)C1 ZINC000102102190 219186501 /nfs/dbraw/zinc/18/65/01/219186501.db2.gz IWCDQZNXNUCZKP-AWEZNQCLSA-N 0 0 349.406 1.980 10 0 EDAERN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)NCc2ncnn2C)cc1 ZINC000095405667 539553155 /nfs/dbraw/zinc/55/31/55/539553155.db2.gz SXYMKBTVUONCEO-ZBFHGGJFSA-N 0 0 329.404 1.843 10 0 EDAERN COC[C@@H](C)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000103386978 219296250 /nfs/dbraw/zinc/29/62/50/219296250.db2.gz HVAYKYRBTHVRRA-OAHLLOKOSA-N 0 0 348.443 1.581 10 0 EDAERN C[C@@H](Nc1ncnc2ccccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000041502602 213450206 /nfs/dbraw/zinc/45/02/06/213450206.db2.gz VGGVEELKSUOQKE-NEPJUHHUSA-N 0 0 348.428 1.076 10 0 EDAERN CCN(CC)C(=O)NCCS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000041344314 213441530 /nfs/dbraw/zinc/44/15/30/213441530.db2.gz QMWKJRCIIXWJHY-UHFFFAOYSA-N 0 0 344.433 1.529 10 0 EDAERN Cc1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1Br ZINC000041228278 213432669 /nfs/dbraw/zinc/43/26/69/213432669.db2.gz HQPNVBSNRRQREU-UHFFFAOYSA-N 0 0 349.250 1.978 10 0 EDAERN COc1cc2cc(CNC(=O)N3CCOCC3)c(=O)[nH]c2cc1OC ZINC000041159198 213427629 /nfs/dbraw/zinc/42/76/29/213427629.db2.gz PSEMDEZPGCOEOZ-UHFFFAOYSA-N 0 0 347.371 1.087 10 0 EDAERN NC(=S)CN1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000104052205 219341961 /nfs/dbraw/zinc/34/19/61/219341961.db2.gz CVJCFJAGRUQMPD-UHFFFAOYSA-N 0 0 332.223 1.086 10 0 EDAERN O=S(=O)(NCc1cc[nH]n1)c1ccc(F)cc1Br ZINC000041016527 213408712 /nfs/dbraw/zinc/40/87/12/213408712.db2.gz SSFSTTAANXLJLA-UHFFFAOYSA-N 0 0 334.170 1.790 10 0 EDAERN C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000104224017 219362867 /nfs/dbraw/zinc/36/28/67/219362867.db2.gz HZUZXLROTPRZAR-XCBNKYQSSA-N 0 0 327.178 1.941 10 0 EDAERN C[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1ccc(=O)[nH]c1 ZINC000040826888 213392210 /nfs/dbraw/zinc/39/22/10/213392210.db2.gz AQUDMPKUCBBTGL-SNVBAGLBSA-N 0 0 326.805 1.938 10 0 EDAERN Cc1cc(=O)n(CC(=O)Nc2ccc(N)cc2Br)cn1 ZINC000040727830 213376355 /nfs/dbraw/zinc/37/63/55/213376355.db2.gz AWOXVZXYJPEKSZ-UHFFFAOYSA-N 0 0 337.177 1.535 10 0 EDAERN CCCNc1ncnc(NNS(=O)(=O)c2ccc(C)cc2)c1N ZINC000040707860 213371534 /nfs/dbraw/zinc/37/15/34/213371534.db2.gz QTPBDHFODLVCHS-UHFFFAOYSA-N 0 0 336.421 1.495 10 0 EDAERN C/C(=C\c1ccccc1F)C(=O)N1CCO[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000040666330 213366653 /nfs/dbraw/zinc/36/66/53/213366653.db2.gz PFRSGEPXLXJXGF-UHUXCJHTSA-N 0 0 339.388 1.253 10 0 EDAERN CCS(=O)(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCCC1 ZINC000040616580 213360082 /nfs/dbraw/zinc/36/00/82/213360082.db2.gz RTAYFRIPXMJITA-AWEZNQCLSA-N 0 0 342.461 1.780 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181199526 234115054 /nfs/dbraw/zinc/11/50/54/234115054.db2.gz AUHRNOQEAUUPOP-ZBFHGGJFSA-N 0 0 342.395 1.868 10 0 EDAERN Cc1nc(C)c([C@H](C)NS(=O)(=O)c2sc(=O)[nH]c2C)s1 ZINC000040519444 213331486 /nfs/dbraw/zinc/33/14/86/213331486.db2.gz ROEOYIGWGKBJSB-LURJTMIESA-N 0 0 333.460 1.858 10 0 EDAERN COC[C@H](C)C(=O)NCc1cccc(CNC(=O)[C@@H](C)COC)c1 ZINC000127435908 222839926 /nfs/dbraw/zinc/83/99/26/222839926.db2.gz FBFBSEMRRICTKE-KBPBESRZSA-N 0 0 336.432 1.484 10 0 EDAERN Cc1ncsc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000040218495 213282219 /nfs/dbraw/zinc/28/22/19/213282219.db2.gz VMMSMGUHDQGTSR-MRVPVSSYSA-N 0 0 325.415 1.590 10 0 EDAERN CCOC(=O)Cn1c(CNC(=O)c2ccncc2)nc2ccccc21 ZINC000040183910 213280375 /nfs/dbraw/zinc/28/03/75/213280375.db2.gz KHPJEKFTEJWITE-UHFFFAOYSA-N 0 0 338.367 1.924 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000176478584 540100329 /nfs/dbraw/zinc/10/03/29/540100329.db2.gz VZPOCBIQSBPRFU-CQSZACIVSA-N 0 0 328.376 1.069 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)C(C)C ZINC000179124936 540115565 /nfs/dbraw/zinc/11/55/65/540115565.db2.gz BOMSJTKTNJCROC-SNVBAGLBSA-N 0 0 340.474 1.924 10 0 EDAERN CCn1c(CCNC(=O)N2CCC[C@@H]2C(=O)NC)nc2ccccc21 ZINC000179260174 540116429 /nfs/dbraw/zinc/11/64/29/540116429.db2.gz TVPKPDWLVYXIIW-OAHLLOKOSA-N 0 0 343.431 1.519 10 0 EDAERN CNC(=O)[C@H](NCC(=O)Nc1nc2ccc(F)cc2s1)C(C)C ZINC000183660452 540138990 /nfs/dbraw/zinc/13/89/90/540138990.db2.gz DYVSDKOXAODBLA-CYBMUJFWSA-N 0 0 338.408 1.734 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000184847956 540144964 /nfs/dbraw/zinc/14/49/64/540144964.db2.gz CYQPVIXDKUBWOE-ULQDDVLXSA-N 0 0 341.496 1.680 10 0 EDAERN CNC(=O)[C@H](NCc1nc(=O)c2c3c(sc2[nH]1)CCC3)C(C)C ZINC000183665952 540140318 /nfs/dbraw/zinc/14/03/18/540140318.db2.gz IDKZGZXQHBUYCR-CYBMUJFWSA-N 0 0 334.445 1.334 10 0 EDAERN O=C(CNC(=O)N1CCC[C@@H](Nc2ccccc2)C1)NCC1CC1 ZINC000183796222 235228802 /nfs/dbraw/zinc/22/88/02/235228802.db2.gz RQRBBVXHLDWHKI-MRXNPFEDSA-N 0 0 330.432 1.799 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc(OCC)cn2)C[C@H]1CC ZINC000189639302 540165837 /nfs/dbraw/zinc/16/58/37/540165837.db2.gz FVESXBRXKWJENK-CQSZACIVSA-N 0 0 336.436 1.448 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc(OCC)cn2)C[C@@H]1CC ZINC000189639329 540166020 /nfs/dbraw/zinc/16/60/20/540166020.db2.gz FVESXBRXKWJENK-AWEZNQCLSA-N 0 0 336.436 1.448 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C[C@@H](C)O1 ZINC000055093135 138145574 /nfs/dbraw/zinc/14/55/74/138145574.db2.gz MTFUJRRDAPIABZ-NFAWXSAZSA-N 0 0 336.457 1.917 10 0 EDAERN COCC(=O)NC1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000185092652 235580442 /nfs/dbraw/zinc/58/04/42/235580442.db2.gz DDXNKHDSDLJSNF-CYBMUJFWSA-N 0 0 333.215 1.474 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2ccc(Br)cc2)C1 ZINC000074773494 138238922 /nfs/dbraw/zinc/23/89/22/138238922.db2.gz ZOBYLVIAUINBPR-CYBMUJFWSA-N 0 0 327.222 1.438 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105888663 219580096 /nfs/dbraw/zinc/58/00/96/219580096.db2.gz ZGECJIALEQORBP-OAHLLOKOSA-N 0 0 344.415 1.540 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000077138992 138251558 /nfs/dbraw/zinc/25/15/58/138251558.db2.gz YFQUSHJMELVJER-NTZNESFSSA-N 0 0 338.354 1.954 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCOC[C@H]1CCCO1 ZINC000083696543 138269324 /nfs/dbraw/zinc/26/93/24/138269324.db2.gz DJXPEIHQGPMHCE-KGLIPLIRSA-N 0 0 337.424 1.306 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)Cn2nc3ccccn3c2=O)cc1F ZINC000088233575 138272195 /nfs/dbraw/zinc/27/21/95/138272195.db2.gz ASSGKDSTILZSCN-LBPRGKRZSA-N 0 0 328.347 1.821 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)C1CCCCC1 ZINC000087251478 138271546 /nfs/dbraw/zinc/27/15/46/138271546.db2.gz VZACIMHFSZYQRA-KGLIPLIRSA-N 0 0 335.452 1.916 10 0 EDAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)cc(C)c1OC(F)F ZINC000091780597 138284871 /nfs/dbraw/zinc/28/48/71/138284871.db2.gz JKQIMPLIDUDRET-LLVKDONJSA-N 0 0 328.315 1.231 10 0 EDAERN COc1ccccc1N1C[C@@H](C(=O)NCCn2cc(C)cn2)CC1=O ZINC000117817823 138312478 /nfs/dbraw/zinc/31/24/78/138312478.db2.gz IUHGBLPCUUOHPH-AWEZNQCLSA-N 0 0 342.399 1.369 10 0 EDAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105910352 138302598 /nfs/dbraw/zinc/30/25/98/138302598.db2.gz QMCYJKPUSLJAEK-GDBMZVCRSA-N 0 0 347.463 1.061 10 0 EDAERN COc1ccc(CC[C@@H](C)NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112746582 138309496 /nfs/dbraw/zinc/30/94/96/138309496.db2.gz TYBWPPIWEOCSOR-UKRRQHHQSA-N 0 0 343.431 1.922 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(C)cc1C)CC2 ZINC000114863389 138310608 /nfs/dbraw/zinc/31/06/08/138310608.db2.gz FXUCHDJBLRADSQ-AWEZNQCLSA-N 0 0 328.416 1.967 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C(CC)CC)C1)CC2 ZINC000114865677 138310700 /nfs/dbraw/zinc/31/07/00/138310700.db2.gz LKVFDYMGSSHQCG-OLZOCXBDSA-N 0 0 347.463 1.309 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CSCc1ccncc1)CC2 ZINC000114866862 138310745 /nfs/dbraw/zinc/31/07/45/138310745.db2.gz UGDCUSGRKCHEQG-CYBMUJFWSA-N 0 0 331.445 1.600 10 0 EDAERN Cn1nccc1C1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000124655265 138328593 /nfs/dbraw/zinc/32/85/93/138328593.db2.gz DKEOZKBZGWAZML-UHFFFAOYSA-N 0 0 340.427 1.485 10 0 EDAERN CN(CC(=O)N1CCC(c2cc[nH]n2)CC1)C(=O)c1cccs1 ZINC000125457271 138333973 /nfs/dbraw/zinc/33/39/73/138333973.db2.gz PEQMKSNWBGWOSH-UHFFFAOYSA-N 0 0 332.429 1.949 10 0 EDAERN O=C(COc1ccccc1)NCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125500447 138334494 /nfs/dbraw/zinc/33/44/94/138334494.db2.gz QIQHTXNECTVYPO-UHFFFAOYSA-N 0 0 342.399 1.311 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2nc[nH]n2)c(Br)c1 ZINC000037921350 213173271 /nfs/dbraw/zinc/17/32/71/213173271.db2.gz MUIFUGSIRPAYEP-UHFFFAOYSA-N 0 0 331.195 1.354 10 0 EDAERN CCOC(=O)CN(CCOC)C(=O)c1cc(Br)c[nH]1 ZINC000037845414 213170471 /nfs/dbraw/zinc/17/04/71/213170471.db2.gz OAZAGUKRUIORRM-UHFFFAOYSA-N 0 0 333.182 1.429 10 0 EDAERN C[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)on1)N1CCOCC1 ZINC000131872133 138367138 /nfs/dbraw/zinc/36/71/38/138367138.db2.gz NMXBAEDURLKYFE-LBPRGKRZSA-N 0 0 333.363 1.931 10 0 EDAERN C[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)[C@H]1CCCO1 ZINC000037555780 213156352 /nfs/dbraw/zinc/15/63/52/213156352.db2.gz JHHWNSVGSNERRA-NXEZZACHSA-N 0 0 329.809 1.834 10 0 EDAERN CCOC(=O)CNC(=O)CCOc1ccc(Br)cc1 ZINC000037564779 213157578 /nfs/dbraw/zinc/15/75/78/213157578.db2.gz ZVWXSSDLNOPWJQ-UHFFFAOYSA-N 0 0 330.178 1.897 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133632670 138396240 /nfs/dbraw/zinc/39/62/40/138396240.db2.gz MSAJESHKBDWYCV-CYBMUJFWSA-N 0 0 335.452 1.527 10 0 EDAERN O=S1(=O)C[C@H](O)[C@H](Oc2ccc(F)cc2Br)C1 ZINC000037489228 213149383 /nfs/dbraw/zinc/14/93/83/213149383.db2.gz PVEABEBRBFFYNO-WCBMZHEXSA-N 0 0 325.155 1.125 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(CCC(=O)OC)CC1 ZINC000105917869 219594182 /nfs/dbraw/zinc/59/41/82/219594182.db2.gz JBRMUKZWCCADRP-UHFFFAOYSA-N 0 0 328.844 1.317 10 0 EDAERN NC(=O)CN1CCC(C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000091547154 283287880 /nfs/dbraw/zinc/28/78/80/283287880.db2.gz PWKFGKBKZZEKCZ-OAHLLOKOSA-N 0 0 333.432 1.921 10 0 EDAERN O=C(NC1CN(C(=O)NC[C@@H]2CCOc3ccccc32)C1)C1CC1 ZINC000187059246 236105929 /nfs/dbraw/zinc/10/59/29/236105929.db2.gz WDEPWZRVOCQDGO-ZDUSSCGKSA-N 0 0 329.400 1.473 10 0 EDAERN CN(C1CCOCC1)S(=O)(=O)c1ccc(N)cc1Br ZINC000036320371 213084432 /nfs/dbraw/zinc/08/44/32/213084432.db2.gz YUEXLTXCHDMMFG-UHFFFAOYSA-N 0 0 349.250 1.831 10 0 EDAERN COC(=O)CN(C)C(=O)CCOc1ccc(Br)cc1 ZINC000036303011 213083345 /nfs/dbraw/zinc/08/33/45/213083345.db2.gz VQPRNFYAFJTHHT-UHFFFAOYSA-N 0 0 330.178 1.849 10 0 EDAERN COCCS(=O)(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000036190100 213075875 /nfs/dbraw/zinc/07/58/75/213075875.db2.gz JANZWMPBSHGOOW-UHFFFAOYSA-N 0 0 326.296 1.576 10 0 EDAERN CCCS(=O)(=O)NC[C@]1(O)CCc2cc(OC)c(OC)cc21 ZINC000036137505 213072676 /nfs/dbraw/zinc/07/26/76/213072676.db2.gz YSIQLAREFYIPPQ-OAHLLOKOSA-N 0 0 329.418 1.167 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@H]1C ZINC000036124317 213071554 /nfs/dbraw/zinc/07/15/54/213071554.db2.gz YAWSHARCGICRMN-ZIAGYGMSSA-N 0 0 344.452 1.697 10 0 EDAERN CN(C)S(=O)(=O)NC[C@](C)(O)c1ccc(Br)cc1 ZINC000036126542 213071053 /nfs/dbraw/zinc/07/10/53/213071053.db2.gz JHPXAXMRYKECGM-NSHDSACASA-N 0 0 337.239 1.053 10 0 EDAERN Cc1ccc(C(=O)NCC2(O)CCCC2)cc1S(=O)(=O)N(C)C ZINC000036110432 213070346 /nfs/dbraw/zinc/07/03/46/213070346.db2.gz LYTZJKXCDYVCBR-UHFFFAOYSA-N 0 0 340.445 1.280 10 0 EDAERN CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cc1Cl ZINC000070689939 215706732 /nfs/dbraw/zinc/70/67/32/215706732.db2.gz WFJJUOGSRLBBPR-SECBINFHSA-N 0 0 325.796 1.799 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N(C)c3ccccc3)n2)n1 ZINC000070874676 215720531 /nfs/dbraw/zinc/72/05/31/215720531.db2.gz RYYUYTQMSNUDCD-UHFFFAOYSA-N 0 0 337.383 1.709 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000106397384 219637481 /nfs/dbraw/zinc/63/74/81/219637481.db2.gz LRSJUAMUSSXVJX-AWEZNQCLSA-N 0 0 339.823 1.194 10 0 EDAERN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](C)COC)c1 ZINC000125212451 138609744 /nfs/dbraw/zinc/60/97/44/138609744.db2.gz CLZVMEJWCQGWGS-RYUDHWBXSA-N 0 0 328.434 1.984 10 0 EDAERN CCc1ccc(N2CC[C@H](C(=O)NCc3c[nH]nc3C)C2=O)cc1 ZINC000035429153 213027022 /nfs/dbraw/zinc/02/70/22/213027022.db2.gz YJSQREODSHDMSC-MRXNPFEDSA-N 0 0 326.400 1.950 10 0 EDAERN CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(N)c(Br)c1 ZINC000071395476 215768895 /nfs/dbraw/zinc/76/88/95/215768895.db2.gz HEQMSLGXEWYPLS-GFCCVEGCSA-N 0 0 342.237 1.922 10 0 EDAERN CCOC(=O)CCN(C[C@H](C)O)C(=O)COc1ccccc1Cl ZINC000071633670 215791152 /nfs/dbraw/zinc/79/11/52/215791152.db2.gz UJCDILXAXOLRIE-LBPRGKRZSA-N 0 0 343.807 1.881 10 0 EDAERN CCOC(=O)CCN(CCNC(C)=O)C(=O)/C=C/c1ccccc1 ZINC000071637464 215791373 /nfs/dbraw/zinc/79/13/73/215791373.db2.gz SFZUNNSPIYRRAF-MDZDMXLPSA-N 0 0 332.400 1.618 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)CCOc2ccc(C(N)=O)cc2)cn1 ZINC000176298504 138706921 /nfs/dbraw/zinc/70/69/21/138706921.db2.gz NEYFAPWMPWONJR-INIZCTEOSA-N 0 0 342.399 1.652 10 0 EDAERN COc1csc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000176807205 138712699 /nfs/dbraw/zinc/71/26/99/138712699.db2.gz LZJQQMFBHRYCKF-UHFFFAOYSA-N 0 0 336.417 1.796 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccnn3C(C)C)C2)c1 ZINC000177673318 138732503 /nfs/dbraw/zinc/73/25/03/138732503.db2.gz BNJIPUFFRYOYHJ-AWEZNQCLSA-N 0 0 344.419 1.771 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccccc1 ZINC000181444930 138768615 /nfs/dbraw/zinc/76/86/15/138768615.db2.gz XZYYDVCTQVDPBM-CYBMUJFWSA-N 0 0 339.355 1.398 10 0 EDAERN COC(=O)[C@H](NC(=O)c1nc2nccc(C)n2n1)c1ccccc1 ZINC000072050199 215997797 /nfs/dbraw/zinc/99/77/97/215997797.db2.gz RTYCKNUWXFZXQU-GFCCVEGCSA-N 0 0 325.328 1.077 10 0 EDAERN CCC(CC)(CO)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181755177 138771383 /nfs/dbraw/zinc/77/13/83/138771383.db2.gz RLQGGDKUTXYJRB-CYBMUJFWSA-N 0 0 337.468 1.814 10 0 EDAERN CCCCS(=O)(=O)N[C@H](C)c1ccc(S(N)(=O)=O)s1 ZINC000037011215 213129645 /nfs/dbraw/zinc/12/96/45/213129645.db2.gz UEQDSAIYICLMPQ-MRVPVSSYSA-N 0 0 326.465 1.176 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2Br)CCO1 ZINC000037053010 213130802 /nfs/dbraw/zinc/13/08/02/213130802.db2.gz ZWGOZTFGSYHOLG-MRVPVSSYSA-N 0 0 335.223 1.441 10 0 EDAERN O[C@@]1(Cn2ccnn2)CCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000671553489 486650655 /nfs/dbraw/zinc/65/06/55/486650655.db2.gz UAETUKVMLLCKBU-KRWDZBQOSA-N 0 0 343.362 1.709 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N1CCC(O)CC1 ZINC000037928762 213173233 /nfs/dbraw/zinc/17/32/33/213173233.db2.gz VPSUWTBNUFYMDP-UHFFFAOYSA-N 0 0 335.223 1.177 10 0 EDAERN CSc1nc2nc(C)c3c(ccn(-c4ccc[nH]c4=O)c3=O)n2n1 ZINC000072449583 216238833 /nfs/dbraw/zinc/23/88/33/216238833.db2.gz CQPMVCBQXRJWDS-UHFFFAOYSA-N 0 0 340.368 1.147 10 0 EDAERN Cc1nn(CCCNC(=O)c2cnccn2)c(C)c1Br ZINC000027928243 212587222 /nfs/dbraw/zinc/58/72/22/212587222.db2.gz CQFYZHUYKPKOAV-UHFFFAOYSA-N 0 0 338.209 1.873 10 0 EDAERN COC[C@H](NC(=O)N1CC(NC(C)=O)C1)c1ccc(F)c(F)c1 ZINC000190310247 238378415 /nfs/dbraw/zinc/37/84/15/238378415.db2.gz OBVJAPLNUREXSX-AWEZNQCLSA-N 0 0 327.331 1.182 10 0 EDAERN CCn1cc(C(=O)C(=O)N2CCC(N(C)c3cccnn3)CC2)cn1 ZINC000130663361 223168013 /nfs/dbraw/zinc/16/80/13/223168013.db2.gz LJXLUICKGLAQFM-UHFFFAOYSA-N 0 0 342.403 1.003 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)CCCCCNC(C)=O)C12CCOCC2 ZINC000187099857 138822988 /nfs/dbraw/zinc/82/29/88/138822988.db2.gz KEAYBXDNWTVTSH-HOTGVXAUSA-N 0 0 340.464 1.773 10 0 EDAERN O=C(Nc1ccc2c(c1)CCCC(=O)N2)N[C@@H]1CCc2ncnn2C1 ZINC000131858187 223278601 /nfs/dbraw/zinc/27/86/01/223278601.db2.gz UYKJSFHSBLFPKX-CYBMUJFWSA-N 0 0 340.387 1.689 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2cc(C)sc2C)C1 ZINC000188368139 138839641 /nfs/dbraw/zinc/83/96/41/138839641.db2.gz IQVNVHXRDMZHIU-SNVBAGLBSA-N 0 0 325.434 1.582 10 0 EDAERN COc1nc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc2ccccc21 ZINC000188552683 138844713 /nfs/dbraw/zinc/84/47/13/138844713.db2.gz MPKORLCZJTVLSA-UHFFFAOYSA-N 0 0 339.395 1.984 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000188528521 138844195 /nfs/dbraw/zinc/84/41/95/138844195.db2.gz CDGGBBBGWNYLTP-CRAIPNDOSA-N 0 0 345.443 1.987 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@H](O)COc2ccccc2)C1 ZINC000189354979 138868924 /nfs/dbraw/zinc/86/89/24/138868924.db2.gz RIYSSXVSYDRSNL-CWRNSKLLSA-N 0 0 333.388 1.580 10 0 EDAERN CCC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000022379080 212294547 /nfs/dbraw/zinc/29/45/47/212294547.db2.gz GSVKYNKBEYKENV-UHFFFAOYSA-N 0 0 326.418 1.375 10 0 EDAERN O=C(NC1CN(C(=O)c2csc(-c3ccccn3)n2)C1)C1CC1 ZINC000189483278 138875268 /nfs/dbraw/zinc/87/52/68/138875268.db2.gz MPYNTRHKGFFFRU-UHFFFAOYSA-N 0 0 328.397 1.556 10 0 EDAERN CSc1nc(C2CC2)nc(C)c1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189500048 138875801 /nfs/dbraw/zinc/87/58/01/138875801.db2.gz LWCMIRKDUWBOEF-UHFFFAOYSA-N 0 0 346.456 1.735 10 0 EDAERN CNC(=O)Cc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1 ZINC000211820000 241086093 /nfs/dbraw/zinc/08/60/93/241086093.db2.gz YDVUHXMVPGJRBU-UHFFFAOYSA-N 0 0 342.467 1.835 10 0 EDAERN O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 ZINC000096064940 284009337 /nfs/dbraw/zinc/00/93/37/284009337.db2.gz QHFMKEDMOPHSKN-BZUAXINKSA-N 0 0 339.399 1.172 10 0 EDAERN NNc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1N ZINC000021035227 212202276 /nfs/dbraw/zinc/20/22/76/212202276.db2.gz BUPCQQIMFLBTQX-UHFFFAOYSA-N 0 0 348.219 1.315 10 0 EDAERN COC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000190795529 138897168 /nfs/dbraw/zinc/89/71/68/138897168.db2.gz NFROGLITDUQOGZ-CVEARBPZSA-N 0 0 343.431 1.492 10 0 EDAERN O=C(N[C@@H]1CCc2cc(F)ccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173791411 284105767 /nfs/dbraw/zinc/10/57/67/284105767.db2.gz IEJABWQHQLYHSV-NVXWUHKLSA-N 0 0 333.407 1.929 10 0 EDAERN C[C@H](O)c1cn(CC2CCN(C(=O)Cc3ccncc3)CC2)nn1 ZINC000019842141 212074936 /nfs/dbraw/zinc/07/49/36/212074936.db2.gz UTPAIOZFCZTUSN-ZDUSSCGKSA-N 0 0 329.404 1.208 10 0 EDAERN Nc1ccc(S(=O)(=O)NCc2cn[nH]c2)c(Br)c1 ZINC000040347154 213291672 /nfs/dbraw/zinc/29/16/72/213291672.db2.gz ZWQHUASUADLFAL-UHFFFAOYSA-N 0 0 331.195 1.233 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2c3ccc(O)cc3N(C(C)=O)[C@H]2N1C(=O)OC ZINC000095936515 284170046 /nfs/dbraw/zinc/17/00/46/284170046.db2.gz KBAAHMQZNNBUBY-XBFCOCLRSA-N 0 0 334.328 1.182 10 0 EDAERN O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc2c(c1)OCCO2 ZINC000019714125 212057489 /nfs/dbraw/zinc/05/74/89/212057489.db2.gz YKZNQJHVOAGJGQ-OAHLLOKOSA-N 0 0 342.399 1.757 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 ZINC000193943914 138982337 /nfs/dbraw/zinc/98/23/37/138982337.db2.gz TVSQJQSUXRWPOF-GFCCVEGCSA-N 0 0 325.415 1.609 10 0 EDAERN CCOC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1C)c1ccc(Cl)cc1 ZINC000194758087 139000086 /nfs/dbraw/zinc/00/00/86/139000086.db2.gz WLFBIOMINAYJEK-GXTWGEPZSA-N 0 0 338.791 1.681 10 0 EDAERN O=C(CCCS(=O)(=O)N1CCCC1)N[C@@H]1COc2ccccc21 ZINC000194860152 139001501 /nfs/dbraw/zinc/00/15/01/139001501.db2.gz YMQLBSTZKZFRGV-CQSZACIVSA-N 0 0 338.429 1.442 10 0 EDAERN O=C(NCCCCO)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000194957111 139003306 /nfs/dbraw/zinc/00/33/06/139003306.db2.gz XKWPAZJQXMZBJU-OAHLLOKOSA-N 0 0 347.440 1.572 10 0 EDAERN CCN(CC(=O)Nc1cccc(OC)c1)Cc1nnnn1C(C)C ZINC000195017077 139004679 /nfs/dbraw/zinc/00/46/79/139004679.db2.gz LEKWBVHVJYKVKL-UHFFFAOYSA-N 0 0 332.408 1.723 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCn2cccn2)c(Br)c1 ZINC000049081470 213985219 /nfs/dbraw/zinc/98/52/19/213985219.db2.gz DYCYETUVJDIVBD-UHFFFAOYSA-N 0 0 344.234 1.933 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000110753218 220063429 /nfs/dbraw/zinc/06/34/29/220063429.db2.gz GRENTNXEVJTKSI-GFCCVEGCSA-N 0 0 337.424 1.529 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCCC[C@@H]1c1nccs1 ZINC000111211436 220110985 /nfs/dbraw/zinc/11/09/85/220110985.db2.gz XRKCMTDNWYMAOQ-GFCCVEGCSA-N 0 0 325.434 1.692 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCO[C@H](c2nccs2)C1 ZINC000111343596 220142611 /nfs/dbraw/zinc/14/26/11/220142611.db2.gz XWVSYQDUURURKR-JTQLQIEISA-N 0 0 345.833 1.954 10 0 EDAERN O=C(NCCOc1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111797003 220191619 /nfs/dbraw/zinc/19/16/19/220191619.db2.gz GLMWQPBHUQDQGM-MRXNPFEDSA-N 0 0 330.388 1.373 10 0 EDAERN CCOc1cccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111814512 220195990 /nfs/dbraw/zinc/19/59/90/220195990.db2.gz UFLVPVOJINPERG-KRWDZBQOSA-N 0 0 344.415 1.892 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)c1 ZINC000112093668 220241240 /nfs/dbraw/zinc/24/12/40/220241240.db2.gz PAHQPSIPQBJKPH-MRXNPFEDSA-N 0 0 335.429 1.422 10 0 EDAERN C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cccc(Br)c1 ZINC000148079290 223724809 /nfs/dbraw/zinc/72/48/09/223724809.db2.gz LZAGGSKDUMZWAK-XXILOJSOSA-N 0 0 334.235 1.258 10 0 EDAERN NC(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2CO)nn1-c1ccccc1 ZINC000151029595 223771442 /nfs/dbraw/zinc/77/14/42/223771442.db2.gz GMGOLYMZINFKEV-OCCSQVGLSA-N 0 0 342.399 1.252 10 0 EDAERN C[C@@H]1C(=O)NCCN1C[C@@H](O)COc1cccc(Br)c1 ZINC000245895962 139089049 /nfs/dbraw/zinc/08/90/49/139089049.db2.gz ILAAWPWAULQJKY-ZYHUDNBSSA-N 0 0 343.221 1.009 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)[C@@H](C)N1CCOCC1 ZINC000245919375 139089937 /nfs/dbraw/zinc/08/99/37/139089937.db2.gz SRQFGFPSTGNGQU-QLFBSQMISA-N 0 0 348.447 1.422 10 0 EDAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246113405 139095320 /nfs/dbraw/zinc/09/53/20/139095320.db2.gz NQPOZNLVWOWNJQ-VKJFTORMSA-N 0 0 348.443 1.125 10 0 EDAERN COCCN(C)S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246214163 139099520 /nfs/dbraw/zinc/09/95/20/139099520.db2.gz SPMZCMXIZUFWMJ-HZPDHXFCSA-N 0 0 342.461 1.398 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000246313421 139103685 /nfs/dbraw/zinc/10/36/85/139103685.db2.gz GPRSBGXGMCFDTN-IJLUTSLNSA-N 0 0 332.183 1.952 10 0 EDAERN O=C1[C@@H](N2CC[C@@H](Oc3cccnc3)C2)CCN1CC(F)(F)F ZINC000246601702 139114453 /nfs/dbraw/zinc/11/44/53/139114453.db2.gz JAKFYIKVOSBHFU-OLZOCXBDSA-N 0 0 329.322 1.698 10 0 EDAERN CCNS(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246825431 139123273 /nfs/dbraw/zinc/12/32/73/139123273.db2.gz UMOGGJWNMSWELA-NEPJUHHUSA-N 0 0 338.351 1.667 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)COC[C@H]1C ZINC000247044024 139132932 /nfs/dbraw/zinc/13/29/32/139132932.db2.gz QEBHWTAWOZVVGU-KLHDSHLOSA-N 0 0 340.464 1.818 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccccc3C)CCO2)[nH]1 ZINC000247207752 139140592 /nfs/dbraw/zinc/14/05/92/139140592.db2.gz UVWQELOVPOKFDU-IUODEOHRSA-N 0 0 329.404 1.822 10 0 EDAERN Cc1cccc(OC[C@@H](O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000247217305 139141013 /nfs/dbraw/zinc/14/10/13/139141013.db2.gz QETWCRCKDRRDNV-FUHWJXTLSA-N 0 0 331.416 1.332 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)c2nc(C)cs2)C[C@@H]1C ZINC000247246389 139142220 /nfs/dbraw/zinc/14/22/20/139142220.db2.gz XIVLPURHMUZMSE-QWHCGFSZSA-N 0 0 326.466 1.875 10 0 EDAERN Cc1cc(C)cc(OC[C@H](O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000247378301 139146482 /nfs/dbraw/zinc/14/64/82/139146482.db2.gz VQDYYKQEAAHVNT-IEBWSBKVSA-N 0 0 345.443 1.641 10 0 EDAERN CC[C@H]1CN(C(=O)N[C@H]2CCCn3ncnc32)CCN1CC(F)F ZINC000247709869 139154334 /nfs/dbraw/zinc/15/43/34/139154334.db2.gz RJTDHDDGIKIOJV-RYUDHWBXSA-N 0 0 342.394 1.484 10 0 EDAERN Cc1nonc1CC(=O)N[C@@H](C)c1cnn(-c2ccccn2)c1C ZINC000012439084 211381564 /nfs/dbraw/zinc/38/15/64/211381564.db2.gz HKCYSJXLCNQRNI-JTQLQIEISA-N 0 0 326.360 1.687 10 0 EDAERN CC(C)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 ZINC000012133253 211301870 /nfs/dbraw/zinc/30/18/70/211301870.db2.gz LVEMHNUMCYCWMF-CVEARBPZSA-N 0 0 332.448 1.769 10 0 EDAERN CCCCNC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 ZINC000012026255 211281265 /nfs/dbraw/zinc/28/12/65/211281265.db2.gz UMTHXKLPRRRXPT-UHFFFAOYSA-N 0 0 338.429 1.919 10 0 EDAERN CN(Cc1c[nH]nc1-c1ccccc1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000091808450 218069687 /nfs/dbraw/zinc/06/96/87/218069687.db2.gz BLDJOXWXFCCUNN-ZDUSSCGKSA-N 0 0 341.371 1.023 10 0 EDAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1Cc1ccccc1 ZINC000091782140 218065346 /nfs/dbraw/zinc/06/53/46/218065346.db2.gz VABBGIWEMAPVBI-KRWDZBQOSA-N 0 0 341.411 1.480 10 0 EDAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000092228499 218126373 /nfs/dbraw/zinc/12/63/73/218126373.db2.gz JWUGJJFBRDWHKW-LLVKDONJSA-N 0 0 332.187 1.118 10 0 EDAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000093223398 218206158 /nfs/dbraw/zinc/20/61/58/218206158.db2.gz MREPRKVVJNLMGS-SCLBCKFNSA-N 0 0 348.447 1.730 10 0 EDAERN C[C@H]1CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000009704708 211118454 /nfs/dbraw/zinc/11/84/54/211118454.db2.gz DAKCRTPYNWVWGL-LBPRGKRZSA-N 0 0 336.413 1.344 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)CCO2)cn1 ZINC000249215997 139189178 /nfs/dbraw/zinc/18/91/78/139189178.db2.gz ZPLURAJWNOSVDR-LZWOXQAQSA-N 0 0 349.431 1.782 10 0 EDAERN C[C@]1(c2ccccc2)CN(C(=O)N[C@H]2CCc3ncnn3C2)CCO1 ZINC000151829688 223871968 /nfs/dbraw/zinc/87/19/68/223871968.db2.gz RQWZOPRNMCWPMN-MAUKXSAKSA-N 0 0 341.415 1.550 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249297389 139190818 /nfs/dbraw/zinc/19/08/18/139190818.db2.gz BWUPJTOZMFJZOF-APIJFGDWSA-N 0 0 326.437 1.286 10 0 EDAERN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C[C@@H](O)C[C@@H]1CO ZINC000249365024 139191642 /nfs/dbraw/zinc/19/16/42/139191642.db2.gz UNPYTEMCQIGXBF-MXWKQRLJSA-N 0 0 332.322 1.460 10 0 EDAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)COCc1ccccc1F ZINC000250088497 139200344 /nfs/dbraw/zinc/20/03/44/139200344.db2.gz RIBSGQBCNJAFEE-RRFJBIMHSA-N 0 0 333.359 1.654 10 0 EDAERN Cc1cccc2nc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cn21 ZINC000008388937 210945980 /nfs/dbraw/zinc/94/59/80/210945980.db2.gz PCCVKPUEVQTROD-UHFFFAOYSA-N 0 0 344.396 1.220 10 0 EDAERN CN(C)C(=O)c1ccc(OC2CC2)c(I)n1 ZINC000095720325 218447167 /nfs/dbraw/zinc/44/71/67/218447167.db2.gz RGPXOIOJKZDKTF-UHFFFAOYSA-N 0 0 332.141 1.929 10 0 EDAERN Cc1nnc(N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCc3ccco3)C2)s1 ZINC000096065587 218561706 /nfs/dbraw/zinc/56/17/06/218561706.db2.gz MHQOUOYCMNEYBD-MELADBBJSA-N 0 0 348.428 1.597 10 0 EDAERN O=C(NC1CCC1)[C@@H]1C[C@H]2OCCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC000096083164 218581951 /nfs/dbraw/zinc/58/19/51/218581951.db2.gz IMMFKYIPPGOHJF-USXIJHARSA-N 0 0 328.412 1.975 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000171461517 532958080 /nfs/dbraw/zinc/95/80/80/532958080.db2.gz NZKJTJRZEPBWPX-SOUVJXGZSA-N 0 0 348.443 1.835 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000167309310 533087429 /nfs/dbraw/zinc/08/74/29/533087429.db2.gz NOLMHHCWLAXFHD-KWQFWETISA-N 0 0 328.210 1.729 10 0 EDAERN CCc1c(C(=O)N[C@H]2CCc3ncnn3C2)cnn1-c1ccccn1 ZINC000112660209 220367467 /nfs/dbraw/zinc/36/74/67/220367467.db2.gz XSINNZJJRVJKPL-LBPRGKRZSA-N 0 0 337.387 1.166 10 0 EDAERN CCn1cc(CN2CCCN(c3cn[nH]c(=O)c3Cl)CC2)cn1 ZINC000112695498 220375896 /nfs/dbraw/zinc/37/58/96/220375896.db2.gz SWBJUSIJAUAYBS-UHFFFAOYSA-N 0 0 336.827 1.352 10 0 EDAERN O=C(NCCCOCCc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112745048 220395309 /nfs/dbraw/zinc/39/53/09/220395309.db2.gz RZRWWGQFWXVKNQ-MRXNPFEDSA-N 0 0 343.431 1.542 10 0 EDAERN CC1(CCS(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263491060 139344942 /nfs/dbraw/zinc/34/49/42/139344942.db2.gz OVCRWTVZYBTJBW-UHFFFAOYSA-N 0 0 344.477 1.424 10 0 EDAERN COc1ccc(/C=C\C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1O ZINC000492714841 255185694 /nfs/dbraw/zinc/18/56/94/255185694.db2.gz YBKMGOCWWIUBMQ-ZDTYVGOBSA-N 0 0 343.383 1.538 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(C)c1 ZINC000116588115 220975357 /nfs/dbraw/zinc/97/53/57/220975357.db2.gz SMEJOECFNUNJDH-ZDUSSCGKSA-N 0 0 342.399 1.692 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCn3ccnc3)C2)n1 ZINC000117022118 221023150 /nfs/dbraw/zinc/02/31/50/221023150.db2.gz ODYSPDYBZDFOFY-HNNXBMFYSA-N 0 0 331.424 1.213 10 0 EDAERN COCCN1CCN(S(=O)(=O)CCc2ccccc2)C[C@@H]1C ZINC000117370260 221059341 /nfs/dbraw/zinc/05/93/41/221059341.db2.gz JCAMCSVOQMJJBP-HNNXBMFYSA-N 0 0 326.462 1.211 10 0 EDAERN CCOCCN1CCN(C(=O)c2c(C)nsc2NC)C[C@H]1C ZINC000117283077 221043512 /nfs/dbraw/zinc/04/35/12/221043512.db2.gz DZMOMTJRZTUMDW-LLVKDONJSA-N 0 0 326.466 1.676 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCN1CCOC ZINC000117307560 221051473 /nfs/dbraw/zinc/05/14/73/221051473.db2.gz STAHPUWIEKWOEA-INIZCTEOSA-N 0 0 343.431 1.450 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C)c2)C[C@H]1C ZINC000117522367 221074304 /nfs/dbraw/zinc/07/43/04/221074304.db2.gz VQSXITKSOFMOOI-CYBMUJFWSA-N 0 0 337.395 1.252 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000117522297 221074710 /nfs/dbraw/zinc/07/47/10/221074710.db2.gz SGWHJPGMDZIVNY-GFCCVEGCSA-N 0 0 339.823 1.458 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)c1 ZINC000117800716 221090729 /nfs/dbraw/zinc/09/07/29/221090729.db2.gz RMVIOQHFOGIFRA-ZBFHGGJFSA-N 0 0 330.388 1.281 10 0 EDAERN CCN(CCNC(=O)NCCn1cc(C)cn1)C(=O)OC(C)(C)C ZINC000118072102 221111589 /nfs/dbraw/zinc/11/15/89/221111589.db2.gz JVOKIXQRYXCTEL-UHFFFAOYSA-N 0 0 339.440 1.748 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(CCc3ccccc3)CC2)c1 ZINC000118081545 221112702 /nfs/dbraw/zinc/11/27/02/221112702.db2.gz XBEOAJUCLCJNSC-UHFFFAOYSA-N 0 0 341.459 1.761 10 0 EDAERN CO[C@@H](C(=O)N[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000118668974 221166951 /nfs/dbraw/zinc/16/69/51/221166951.db2.gz UKWPNFDCBCNEQL-DOTOQJQBSA-N 0 0 326.400 1.949 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(-n2ccnc2)nc1 ZINC000118672591 221168006 /nfs/dbraw/zinc/16/80/06/221168006.db2.gz WPSCFNKWKOJFSK-HNNXBMFYSA-N 0 0 349.398 1.456 10 0 EDAERN COc1ccc(CCCC(=O)N[C@H]2CCc3ncnn3C2)c(OC)c1 ZINC000154564925 224272807 /nfs/dbraw/zinc/27/28/07/224272807.db2.gz OUYMUPWXYJXGDP-AWEZNQCLSA-N 0 0 344.415 1.749 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1F ZINC000118981150 221215512 /nfs/dbraw/zinc/21/55/12/221215512.db2.gz MPQOWDONRNFPNM-CQSZACIVSA-N 0 0 345.378 1.782 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000119303261 221289376 /nfs/dbraw/zinc/28/93/76/221289376.db2.gz WRYFUXDPWLAGJL-ZDUSSCGKSA-N 0 0 334.401 1.684 10 0 EDAERN COc1cccc(C(C)(C)CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000119366836 221304277 /nfs/dbraw/zinc/30/42/77/221304277.db2.gz WDJYUBFXTDVQSQ-MRXNPFEDSA-N 0 0 335.448 1.603 10 0 EDAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000119365242 221304927 /nfs/dbraw/zinc/30/49/27/221304927.db2.gz LTUORNHYJFHOMN-OLZOCXBDSA-N 0 0 336.440 1.416 10 0 EDAERN COCCOCCS(=O)(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119570317 221350241 /nfs/dbraw/zinc/35/02/41/221350241.db2.gz UMKOFVFIPKFRFY-HNNXBMFYSA-N 0 0 331.409 1.786 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Oc1ccccc1 ZINC000155415716 224414978 /nfs/dbraw/zinc/41/49/78/224414978.db2.gz JRSNSOXWMVHAQF-GXTWGEPZSA-N 0 0 330.388 1.843 10 0 EDAERN Nc1cc(-c2nnnn2C[C@H]2CCCS2(=O)=O)ccc1Cl ZINC000155453118 224420791 /nfs/dbraw/zinc/42/07/91/224420791.db2.gz MBCXVHLMPPQFLE-SECBINFHSA-N 0 0 327.797 1.153 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173950681 533267234 /nfs/dbraw/zinc/26/72/34/533267234.db2.gz UFKZSUJFQJLENI-HIFRSBDPSA-N 0 0 326.400 1.918 10 0 EDAERN COC(=O)C1CCC(C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000180164275 533277921 /nfs/dbraw/zinc/27/79/21/533277921.db2.gz ORGQRGZLZMYTNA-UHFFFAOYSA-N 0 0 347.350 1.719 10 0 EDAERN COC(=O)[C@H](c1ccccc1F)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173678963 533371211 /nfs/dbraw/zinc/37/12/11/533371211.db2.gz PWGGSXZNNJVIPZ-KGLIPLIRSA-N 0 0 334.351 1.540 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC[C@H]2Cn2ccnc2C)no1 ZINC000178290544 533402023 /nfs/dbraw/zinc/40/20/23/533402023.db2.gz CPYSINGFXKHDOB-AWEZNQCLSA-N 0 0 347.419 1.735 10 0 EDAERN COC(=O)CCc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000190135820 533458264 /nfs/dbraw/zinc/45/82/64/533458264.db2.gz SYZXBEOICCISFL-AWEZNQCLSA-N 0 0 343.387 1.520 10 0 EDAERN CS(=O)(=O)c1cccc2[nH]c([C@H]3CCCCS3(=O)=O)nc21 ZINC000168711595 533460622 /nfs/dbraw/zinc/46/06/22/533460622.db2.gz DAOYBOSUVYUWJL-LLVKDONJSA-N 0 0 328.415 1.606 10 0 EDAERN CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC000166653974 533485458 /nfs/dbraw/zinc/48/54/58/533485458.db2.gz LATBYQSGBPIXSV-QWRGUYRKSA-N 0 0 343.177 1.463 10 0 EDAERN COc1cc(Br)cc(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])c1 ZINC000169145620 533489198 /nfs/dbraw/zinc/48/91/98/533489198.db2.gz IVBGDSNKYOEFDB-JTQLQIEISA-N 0 0 331.166 1.588 10 0 EDAERN COc1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1O ZINC000174072540 533598492 /nfs/dbraw/zinc/59/84/92/533598492.db2.gz VSRZDARRUFVIFF-CYBMUJFWSA-N 0 0 331.376 1.539 10 0 EDAERN CCNC(=O)CN(CC)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000130158280 285502253 /nfs/dbraw/zinc/50/22/53/285502253.db2.gz CFSYQWKXUJJGNQ-RHSMWYFYSA-N 0 0 349.406 1.330 10 0 EDAERN CCc1nc(-c2ccc(N3CCN(C(=O)C(C)C)CC3)nc2)no1 ZINC000044094429 132414538 /nfs/dbraw/zinc/41/45/38/132414538.db2.gz GMWAGXGRLFLSFL-UHFFFAOYSA-N 0 0 329.404 1.999 10 0 EDAERN Cc1cccc(OCC(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000118669541 135522104 /nfs/dbraw/zinc/52/21/04/135522104.db2.gz SLYCHWAWIXLXEJ-HNNXBMFYSA-N 0 0 326.400 1.949 10 0 EDAERN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Cc1cn2ccsc2n1 ZINC000328960161 140686911 /nfs/dbraw/zinc/68/69/11/140686911.db2.gz KGRWRCIICXPKCR-CYBMUJFWSA-N 0 0 345.428 1.878 10 0 EDAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC(n2ccnn2)C1 ZINC000329558839 140740581 /nfs/dbraw/zinc/74/05/81/140740581.db2.gz QWAHGETYOBCNBP-UHFFFAOYSA-N 0 0 325.372 1.098 10 0 EDAERN NC(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000333054181 141256129 /nfs/dbraw/zinc/25/61/29/141256129.db2.gz LWADCXTWHOWATB-MNOVXSKESA-N 0 0 335.429 1.368 10 0 EDAERN CCc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc(=O)[nH]1 ZINC000333108488 141265618 /nfs/dbraw/zinc/26/56/18/141265618.db2.gz WYGDZHQMEOYSQP-DOMZBBRYSA-N 0 0 331.416 1.871 10 0 EDAERN CC1(C)CCN(CCc2ccc3c(c2)OCCO3)CCS1(=O)=O ZINC000333324547 141299523 /nfs/dbraw/zinc/29/95/23/141299523.db2.gz PZMVVASVGRWGHJ-UHFFFAOYSA-N 0 0 339.457 1.899 10 0 EDAERN O=C([C@@H]1CCCCC(=O)N1)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000333363512 304314631 /nfs/dbraw/zinc/31/46/31/304314631.db2.gz YBYICDVNKCHXSR-LPHOPBHVSA-N 0 0 330.428 1.641 10 0 EDAERN CC1(C)CCN(C(=O)NCCC2CCOCC2)CCS1(=O)=O ZINC000333370398 141307258 /nfs/dbraw/zinc/30/72/58/141307258.db2.gz ZJUMVDIMLQNUHK-UHFFFAOYSA-N 0 0 332.466 1.412 10 0 EDAERN NC(=O)[C@]1(c2ccccc2)CCN(S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000333907259 141408020 /nfs/dbraw/zinc/40/80/20/141408020.db2.gz KGGZTXURZGZCLS-GDBMZVCRSA-N 0 0 338.429 1.674 10 0 EDAERN CCOCCN1CCN(C(=O)/C=C\c2ccc(OC)c(O)c2)C[C@H]1C ZINC000493304876 286082586 /nfs/dbraw/zinc/08/25/86/286082586.db2.gz OWXNDFPESSVUPB-DDJMYBDESA-N 0 0 348.443 1.983 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCCC(=O)N(C)C)C12CCCC2 ZINC000172605228 286236597 /nfs/dbraw/zinc/23/65/97/286236597.db2.gz GCIHKQSBWBKILA-ZIAGYGMSSA-N 0 0 325.453 1.844 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[S@@](C)=O)C12CCOCC2 ZINC000248745079 286364073 /nfs/dbraw/zinc/36/40/73/286364073.db2.gz SBRBFXBTQRVAOX-GKRAAPHASA-N 0 0 332.466 1.027 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@](C)(CC)CCO)C12CCOCC2 ZINC000248591383 286366348 /nfs/dbraw/zinc/36/63/48/286366348.db2.gz YUPPYMNIJXZXMI-LZWOXQAQSA-N 0 0 328.453 1.811 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173483976 286685054 /nfs/dbraw/zinc/68/50/54/286685054.db2.gz QVTFNWPSKKXCEO-CYBMUJFWSA-N 0 0 343.449 1.764 10 0 EDAERN COCCOc1cccc(CNC(=O)CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000051115661 287219858 /nfs/dbraw/zinc/21/98/58/287219858.db2.gz YYUDYCFYEJVWGC-HUUCEWRRSA-N 0 0 336.432 1.437 10 0 EDAERN O=C(NCCNC(=O)c1cccnc1)N[C@H]1CCOc2ccccc21 ZINC000061140083 287236019 /nfs/dbraw/zinc/23/60/19/287236019.db2.gz YQABWHIHSCRGRS-HNNXBMFYSA-N 0 0 340.383 1.634 10 0 EDAERN C[C@H](CNC(=O)N1CCN(C)C[C@@H]1c1ccccc1)N1CCOCC1 ZINC000079252739 287298868 /nfs/dbraw/zinc/29/88/68/287298868.db2.gz DHKZACXTIWQHPC-SJLPKXTDSA-N 0 0 346.475 1.405 10 0 EDAERN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000080622775 287308092 /nfs/dbraw/zinc/30/80/92/287308092.db2.gz VJOAVDUNHOEZME-DOMZBBRYSA-N 0 0 346.431 1.957 10 0 EDAERN COCCN(CC(F)F)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161596747 225657698 /nfs/dbraw/zinc/65/76/98/225657698.db2.gz QNHKOHNWLLRGCU-NSHDSACASA-N 0 0 345.394 1.639 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000162743384 225862657 /nfs/dbraw/zinc/86/26/57/225862657.db2.gz WYMAQKGOVOVYEP-HNNXBMFYSA-N 0 0 326.352 1.942 10 0 EDAERN C[C@@H](C(N)=S)N1CCN(c2ccncc2Br)CC1 ZINC000163885124 226025408 /nfs/dbraw/zinc/02/54/08/226025408.db2.gz QSWNJHSNHHRTQG-VIFPVBQESA-N 0 0 329.267 1.641 10 0 EDAERN CCn1nccc1Cn1nc(C)c(I)c1N ZINC000164877483 226103081 /nfs/dbraw/zinc/10/30/81/226103081.db2.gz TXMCXRVOQLWATJ-UHFFFAOYSA-N 0 0 331.161 1.643 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)c3cccnc3)C2)c1 ZINC000164354194 226066978 /nfs/dbraw/zinc/06/69/78/226066978.db2.gz LXGCFKJESZVJIH-OAHLLOKOSA-N 0 0 327.388 1.180 10 0 EDAERN COCCn1ncc(Br)c1C(=O)c1csc(CN)n1 ZINC000164430614 226071276 /nfs/dbraw/zinc/07/12/76/226071276.db2.gz ZHMNQFZNRUVEKU-UHFFFAOYSA-N 0 0 345.222 1.438 10 0 EDAERN Cc1nnc(CN(C)S(=O)(=O)c2cc(C)c(Cl)c(N)c2)[nH]1 ZINC000164766721 226097653 /nfs/dbraw/zinc/09/76/53/226097653.db2.gz QUDPBEZRTLVIHO-UHFFFAOYSA-N 0 0 329.813 1.478 10 0 EDAERN C[C@@H](C(=O)[O-])[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000167341668 226187102 /nfs/dbraw/zinc/18/71/02/226187102.db2.gz CEWDDORQMLZUBZ-JTQLQIEISA-N 0 0 328.210 1.435 10 0 EDAERN CCS(=O)(=O)[C@@H]1CSCCN1c1nc(Cl)nc2[nH]cnc21 ZINC000165503673 226126872 /nfs/dbraw/zinc/12/68/72/226126872.db2.gz LPBWVEDKFWXCJL-SSDOTTSWSA-N 0 0 347.853 1.320 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cc(N)ccc2Br)CC[C@@H]1O ZINC000165971563 226141727 /nfs/dbraw/zinc/14/17/27/226141727.db2.gz BQVFNELWNAPRAK-KCJUWKMLSA-N 0 0 349.250 1.423 10 0 EDAERN C[C@H]1C(=O)N[C@H](C2CC2)C(=O)N1Cc1ccc(Br)cn1 ZINC000168898738 226226294 /nfs/dbraw/zinc/22/62/94/226226294.db2.gz FYPGZKGHSXEKQH-QPUJVOFHSA-N 0 0 338.205 1.470 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171432276 227078027 /nfs/dbraw/zinc/07/80/27/227078027.db2.gz LGYJVVZVZOOAOO-NSHDSACASA-N 0 0 343.840 1.641 10 0 EDAERN COc1cccc([C@H](O)C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000121833523 221947285 /nfs/dbraw/zinc/94/72/85/221947285.db2.gz KLFWRWJIHQUWFF-IRXDYDNUSA-N 0 0 328.368 1.804 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122181649 222031899 /nfs/dbraw/zinc/03/18/99/222031899.db2.gz SUHYYFJUNRSPMP-LSDHHAIUSA-N 0 0 341.415 1.766 10 0 EDAERN Cn1cnc(S(=O)(=O)N2CCSc3ncccc32)c1Cl ZINC000122214071 222038491 /nfs/dbraw/zinc/03/84/91/222038491.db2.gz MBVQKAZIYIJWJD-UHFFFAOYSA-N 0 0 330.822 1.770 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000122287511 222053915 /nfs/dbraw/zinc/05/39/15/222053915.db2.gz VJPMZWHQERLAKE-FRRDWIJNSA-N 0 0 349.435 1.403 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000122299474 222056349 /nfs/dbraw/zinc/05/63/49/222056349.db2.gz FOIJKKHLXKDJMN-JTQLQIEISA-N 0 0 327.319 1.004 10 0 EDAERN Cc1ncccc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000122712830 222143142 /nfs/dbraw/zinc/14/31/42/222143142.db2.gz CNFZLGZETVQYSX-LJQANCHMSA-N 0 0 341.455 1.948 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000122765736 222153523 /nfs/dbraw/zinc/15/35/23/222153523.db2.gz IYJZVIBXTSRFDM-HZPDHXFCSA-N 0 0 332.400 1.595 10 0 EDAERN C[C@H](CNC(=O)N1CCN(c2cccs2)CC1)N1CCOCC1 ZINC000123566030 222298048 /nfs/dbraw/zinc/29/80/48/222298048.db2.gz DVXSDLIKNVEKJF-CQSZACIVSA-N 0 0 338.477 1.300 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000124305797 222408467 /nfs/dbraw/zinc/40/84/67/222408467.db2.gz NSGHPJODQKCWPL-UHFFFAOYSA-N 0 0 337.387 1.416 10 0 EDAERN Fc1cc(CN2CCO[C@H](Cn3cccn3)C2)c2c(c1)COCO2 ZINC000171606641 227171027 /nfs/dbraw/zinc/17/10/27/227171027.db2.gz YCGSBLZMWGWBJP-INIZCTEOSA-N 0 0 333.363 1.790 10 0 EDAERN COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)CCO1 ZINC000172630811 227811545 /nfs/dbraw/zinc/81/15/45/227811545.db2.gz WQMQQHYYMLJJLM-RDJZCZTQSA-N 0 0 348.443 1.623 10 0 EDAERN Cc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)nn1-c1ccccc1 ZINC000172753254 227864841 /nfs/dbraw/zinc/86/48/41/227864841.db2.gz NGNPGLIJTJSHEE-QGZVFWFLSA-N 0 0 340.427 1.727 10 0 EDAERN Cn1nnc(CN2CCN(Cc3nc(-c4ccccc4)co3)CC2)n1 ZINC000193357564 272991458 /nfs/dbraw/zinc/99/14/58/272991458.db2.gz OQGKLUJSSCSNTC-UHFFFAOYSA-N 0 0 339.403 1.183 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cnn1C1CCCC1 ZINC000193449412 272993681 /nfs/dbraw/zinc/99/36/81/272993681.db2.gz DQHCLVPBLINJLF-DZGCQCFKSA-N 0 0 348.447 1.912 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000193511626 272994919 /nfs/dbraw/zinc/99/49/19/272994919.db2.gz GIHOEMJIAIXILG-HNNXBMFYSA-N 0 0 332.404 1.521 10 0 EDAERN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 ZINC000193639169 272997505 /nfs/dbraw/zinc/99/75/05/272997505.db2.gz MDPMDGJNHXBUOS-LLVKDONJSA-N 0 0 337.401 1.525 10 0 EDAERN C[C@H]1CCC[C@H](C)C12NC(=O)N(Cc1nnc(C3CC3)n1C)C2=O ZINC000194690327 273005009 /nfs/dbraw/zinc/00/50/09/273005009.db2.gz JJOBGLGTDLIYMA-QWRGUYRKSA-N 0 0 331.420 1.939 10 0 EDAERN C[C@H](CCNC(=O)c1ccc2nncn2c1)NC(=O)OC(C)(C)C ZINC000195230306 267890148 /nfs/dbraw/zinc/89/01/48/267890148.db2.gz FRGKBVBWJNNDNT-LLVKDONJSA-N 0 0 333.392 1.762 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCc1ccc(C(N)=O)cc1)C(C)C ZINC000048163912 272914285 /nfs/dbraw/zinc/91/42/85/272914285.db2.gz BQERECDRRRQUES-INIZCTEOSA-N 0 0 333.432 1.589 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2nncn2C2CC2)C1 ZINC000106450856 272920901 /nfs/dbraw/zinc/92/09/01/272920901.db2.gz WWNPHITVHFTOSC-LBPRGKRZSA-N 0 0 349.435 1.876 10 0 EDAERN CN(CCC1CCOCC1)C(=O)Cn1ncc(=O)c2ccccc21 ZINC000154364170 272927935 /nfs/dbraw/zinc/92/79/35/272927935.db2.gz VSEXJSGICODAJZ-UHFFFAOYSA-N 0 0 329.400 1.672 10 0 EDAERN CCCNS(=O)(=O)c1ccc(NC(=O)C[C@@H](O)C(C)C)cc1 ZINC000155387583 287659334 /nfs/dbraw/zinc/65/93/34/287659334.db2.gz NVCKSDWWHUKRER-CQSZACIVSA-N 0 0 328.434 1.720 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@@H]1O ZINC000249520590 287803630 /nfs/dbraw/zinc/80/36/30/287803630.db2.gz VBNLDIWCEAQXAF-SYQHCUMBSA-N 0 0 326.437 1.909 10 0 EDAERN O=C1[C@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1cccc(Cl)c1 ZINC000246157357 275029686 /nfs/dbraw/zinc/02/96/86/275029686.db2.gz IGRLGXAQULFDMA-IAGOWNOFSA-N 0 0 349.862 1.852 10 0 EDAERN O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1cccc(Cl)c1 ZINC000177310676 275030042 /nfs/dbraw/zinc/03/00/42/275030042.db2.gz IGRLGXAQULFDMA-DLBZAZTESA-N 0 0 349.862 1.852 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)CN(C)S(C)(=O)=O)o1 ZINC000128554573 276690120 /nfs/dbraw/zinc/69/01/20/276690120.db2.gz CRNUNQOITWBAAB-ZDUSSCGKSA-N 0 0 328.434 1.787 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)Nc2ccc(=O)n(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000157409833 277010926 /nfs/dbraw/zinc/01/09/26/277010926.db2.gz AMYLSVAAZXEXDX-PBHICJAKSA-N 0 0 343.358 1.683 10 0 EDAERN COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1CCO[C@@H]1O2 ZINC000002029395 277391057 /nfs/dbraw/zinc/39/10/57/277391057.db2.gz WPCVRWVBBXIRMA-CQLKUDPESA-N 0 0 330.292 1.737 10 0 endogenous,in-man EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccn(C)n2)CC1 ZINC000115765505 279190780 /nfs/dbraw/zinc/19/07/80/279190780.db2.gz DWBFCRLWJFNGGR-UHFFFAOYSA-N 0 0 331.424 1.120 10 0 EDAERN CC(C)[C@@H]1N(S(=O)(=O)c2cnn3c2OCCC3)C[C@]12CCCO2 ZINC000333145765 280066313 /nfs/dbraw/zinc/06/63/13/280066313.db2.gz KCVLGGREYISVQQ-DZGCQCFKSA-N 0 0 341.433 1.244 10 0 EDAERN CN(CC1(CO)CC1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000189108093 289546315 /nfs/dbraw/zinc/54/63/15/289546315.db2.gz GJXPDVMMQFZMJC-NVXWUHKLSA-N 0 0 330.428 1.827 10 0 EDAERN CNC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179541716 290377760 /nfs/dbraw/zinc/37/77/60/290377760.db2.gz RXUHZBXTPAQLAF-RHSMWYFYSA-N 0 0 349.406 1.330 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C[C@@H]1C ZINC000174335196 533694696 /nfs/dbraw/zinc/69/46/96/533694696.db2.gz CTEFVDKJECQEHB-UONOGXRCSA-N 0 0 346.406 1.539 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000183747156 302856594 /nfs/dbraw/zinc/85/65/94/302856594.db2.gz CWDYLDIZDXNGGA-GFCCVEGCSA-N 0 0 343.792 1.794 10 0 EDAERN Cc1cccc(C)c1NCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000173675050 302951281 /nfs/dbraw/zinc/95/12/81/302951281.db2.gz ORIOGIKWOCYAKH-INIZCTEOSA-N 0 0 328.416 1.839 10 0 EDAERN COCCCNC(=O)Cn1ccn2nc(-c3ccccc3)cc2c1=O ZINC000046005041 441068531 /nfs/dbraw/zinc/06/85/31/441068531.db2.gz HOTBIVJQFLCVDX-UHFFFAOYSA-N 0 0 340.383 1.316 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000070705015 441116210 /nfs/dbraw/zinc/11/62/10/441116210.db2.gz QYCAOTRRCQLXBB-HNNXBMFYSA-N 0 0 339.461 1.895 10 0 EDAERN COC(=O)C[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000070826433 441122805 /nfs/dbraw/zinc/12/28/05/441122805.db2.gz DTHDRBNGLRIJJD-ZDUSSCGKSA-N 0 0 338.385 1.874 10 0 EDAERN Cc1ccccc1OCCN(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000046263890 441096786 /nfs/dbraw/zinc/09/67/86/441096786.db2.gz LDNYAZOIJCYECQ-INIZCTEOSA-N 0 0 335.448 1.736 10 0 EDAERN C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000046972689 441143787 /nfs/dbraw/zinc/14/37/87/441143787.db2.gz WEDXFDHLCDKCND-HOCLYGCPSA-N 0 0 331.416 1.722 10 0 EDAERN Cc1nnc(Sc2ccccc2S(=O)(=O)C(F)(F)F)n1N ZINC000071887890 441185402 /nfs/dbraw/zinc/18/54/02/441185402.db2.gz QQDNTCAKYBKGGH-UHFFFAOYSA-N 0 0 338.336 1.745 10 0 EDAERN CC(C)COC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000058191232 441157688 /nfs/dbraw/zinc/15/76/88/441157688.db2.gz YOCOQHHWDFRHGW-UHFFFAOYSA-N 0 0 326.418 1.786 10 0 EDAERN Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1[C@@H]1CCC(=O)NC1=O ZINC000059191402 441226526 /nfs/dbraw/zinc/22/65/26/441226526.db2.gz SOUXXLLWQUKANK-SNVBAGLBSA-N 0 0 340.166 1.989 10 0 EDAERN Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)NCCC(C)C)CC2)n1 ZINC000105864375 441295514 /nfs/dbraw/zinc/29/55/14/441295514.db2.gz QUSRVGRRHFNUCN-KGLIPLIRSA-N 0 0 337.468 1.607 10 0 EDAERN C[C@H](C(=O)NC1CCCCC1)N1CCCN(c2cccnn2)CC1 ZINC000105797989 441271959 /nfs/dbraw/zinc/27/19/59/441271959.db2.gz ZDBHFDBBIVDCJN-OAHLLOKOSA-N 0 0 331.464 1.826 10 0 EDAERN C[C@@H](C(=O)Nc1nccs1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806822 441275814 /nfs/dbraw/zinc/27/58/14/441275814.db2.gz RKUAKQUNCRODJM-LBPRGKRZSA-N 0 0 346.460 1.861 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)CCc2ccccn2)CC1 ZINC000105816595 441276796 /nfs/dbraw/zinc/27/67/96/441276796.db2.gz NBTAVZLRJWPEDX-UHFFFAOYSA-N 0 0 325.416 1.932 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cnn(C)c3)CC2)cn1 ZINC000105833124 441285077 /nfs/dbraw/zinc/28/50/77/441285077.db2.gz PPSYOZNQNLNVLC-UHFFFAOYSA-N 0 0 330.436 1.375 10 0 EDAERN COCCN1CCN(CC(=O)N2CCc3sccc3C2)C[C@@H]1C ZINC000105833281 441285797 /nfs/dbraw/zinc/28/57/97/441285797.db2.gz HSKYEXJYOIXUFM-AWEZNQCLSA-N 0 0 337.489 1.285 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000105851813 441292016 /nfs/dbraw/zinc/29/20/16/441292016.db2.gz UTABJRWBNIHFAD-KGLIPLIRSA-N 0 0 333.436 1.400 10 0 EDAERN Cc1c(C(=O)N2CCC[C@H](n3cncn3)C2)cnn1-c1ccccn1 ZINC000105854295 441292069 /nfs/dbraw/zinc/29/20/69/441292069.db2.gz KACNVHKDJBHAQR-AWEZNQCLSA-N 0 0 337.387 1.645 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1 ZINC000106397447 441338865 /nfs/dbraw/zinc/33/88/65/441338865.db2.gz RQPBGQOJWOZWRQ-NVXWUHKLSA-N 0 0 349.406 1.234 10 0 EDAERN CCCOc1ncccc1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000063614958 441339506 /nfs/dbraw/zinc/33/95/06/441339506.db2.gz DRWJOYIRXAAZKF-CQSZACIVSA-N 0 0 336.436 1.390 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)Nc1nc(CC(N)=O)cs1 ZINC000106455946 441345651 /nfs/dbraw/zinc/34/56/51/441345651.db2.gz YLVACYRIDAVYJX-CYBMUJFWSA-N 0 0 332.429 1.282 10 0 EDAERN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865837 441296579 /nfs/dbraw/zinc/29/65/79/441296579.db2.gz HHNVDUFNCOGOII-YOEHRIQHSA-N 0 0 349.523 1.848 10 0 EDAERN CCCc1nc(CN2CCN(c3nc(C)cc(OCC)n3)CC2)no1 ZINC000105868805 441298554 /nfs/dbraw/zinc/29/85/54/441298554.db2.gz ZTGZVGURJADFJG-UHFFFAOYSA-N 0 0 346.435 1.841 10 0 EDAERN C[C@H](C(=O)NC1CCCCC1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868962 441298760 /nfs/dbraw/zinc/29/87/60/441298760.db2.gz GGTOSXNICYWBEU-MRXNPFEDSA-N 0 0 347.507 1.765 10 0 EDAERN CC1CCN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000105869234 441300823 /nfs/dbraw/zinc/30/08/23/441300823.db2.gz IXKYPNNZPZOELN-UHFFFAOYSA-N 0 0 333.480 1.186 10 0 EDAERN Cc1cc(C)cc(OC[C@H](O)CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000105903981 441315141 /nfs/dbraw/zinc/31/51/41/441315141.db2.gz VQDYYKQEAAHVNT-MJGOQNOKSA-N 0 0 345.443 1.641 10 0 EDAERN C[C@@H](CNC(=O)NCCOc1ccc(F)c(F)c1)N1CCOCC1 ZINC000106529789 441351728 /nfs/dbraw/zinc/35/17/28/441351728.db2.gz CWGCOYRFQQLHAB-LBPRGKRZSA-N 0 0 343.374 1.364 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000083755019 441375105 /nfs/dbraw/zinc/37/51/05/441375105.db2.gz VAUANKXIGHRNKL-GFCCVEGCSA-N 0 0 335.314 1.455 10 0 EDAERN CCCc1noc(-c2cccn3c(CC(=O)N4CCCC4)nnc23)n1 ZINC000065254377 441410226 /nfs/dbraw/zinc/41/02/26/441410226.db2.gz XAWFIODROWHQAN-UHFFFAOYSA-N 0 0 340.387 1.897 10 0 EDAERN C[C@@H](CNC(=O)N(C)CCN(C)c1ccccc1)N1CCOCC1 ZINC000107731419 441427456 /nfs/dbraw/zinc/42/74/56/441427456.db2.gz PREVXQDEENXCJB-INIZCTEOSA-N 0 0 334.464 1.485 10 0 EDAERN C[C@H](NC(=O)Cn1ccccc1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000052754492 441473743 /nfs/dbraw/zinc/47/37/43/441473743.db2.gz XAHVWFCTTYDGRU-LBPRGKRZSA-N 0 0 334.397 1.129 10 0 EDAERN NC(=O)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000109086464 441487612 /nfs/dbraw/zinc/48/76/12/441487612.db2.gz NTEVHAMBNTUKFO-NWDGAFQWSA-N 0 0 338.354 1.467 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109125119 441489354 /nfs/dbraw/zinc/48/93/54/441489354.db2.gz NCGBTZOSUXGENN-RRFJBIMHSA-N 0 0 338.398 1.983 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCNC(C)=O ZINC000031241423 441517775 /nfs/dbraw/zinc/51/77/75/441517775.db2.gz RLLKZGZEQLDAPA-CZUORRHYSA-N 0 0 333.432 1.474 10 0 EDAERN O=C(c1cc(-c2ccncc2)on1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111075730 441528789 /nfs/dbraw/zinc/52/87/89/441528789.db2.gz PXIKQIUUUMCCDA-CQSZACIVSA-N 0 0 339.355 1.474 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)NC(C3CC3)C3CC3)CC2)n1 ZINC000111811036 441541246 /nfs/dbraw/zinc/54/12/46/441541246.db2.gz FBPYSXFBUOPBGT-LLVKDONJSA-N 0 0 333.436 1.955 10 0 EDAERN COCCN1CCN([C@@H]2CCN(c3ccccc3F)C2=O)C[C@@H]1C ZINC000112345395 441547876 /nfs/dbraw/zinc/54/78/76/441547876.db2.gz RTSQRYZKHCIIPS-WMLDXEAASA-N 0 0 335.423 1.584 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)c1 ZINC000113184611 441586041 /nfs/dbraw/zinc/58/60/41/441586041.db2.gz YXBNWDYOOMXBDV-GOEBONIOSA-N 0 0 327.384 1.595 10 0 EDAERN CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)sc2c1CCC2 ZINC000076281522 441621801 /nfs/dbraw/zinc/62/18/01/441621801.db2.gz WFHWBMXBWFLHPB-WPRPVWTQSA-N 0 0 336.413 1.877 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000076360779 441635760 /nfs/dbraw/zinc/63/57/60/441635760.db2.gz WDRDEQCXYQXJHC-PHIMTYICSA-N 0 0 329.393 1.869 10 0 EDAERN CCCNc1nnc(S(=O)(=O)Cc2nnc(C3CC3)n2C)s1 ZINC000090989089 441646670 /nfs/dbraw/zinc/64/66/70/441646670.db2.gz MRXGGFIUUCRGFW-UHFFFAOYSA-N 0 0 342.450 1.340 10 0 EDAERN Cn1cc([C@H]2[C@H](C(=O)NCc3ccccc3)CCC(=O)N2C)cn1 ZINC000115201498 441718073 /nfs/dbraw/zinc/71/80/73/441718073.db2.gz YCGOCEZPWAAPBA-WBVHZDCISA-N 0 0 326.400 1.646 10 0 EDAERN CCC(=O)Nc1cccc(C(=O)N[C@H]2CCc3nc(CC)nn3C2)c1 ZINC000114864124 441693252 /nfs/dbraw/zinc/69/32/52/441693252.db2.gz OJIOBVIKTQXXFI-AWEZNQCLSA-N 0 0 341.415 1.934 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc3c(c1)OCO3)CC2 ZINC000114875189 441694587 /nfs/dbraw/zinc/69/45/87/441694587.db2.gz ABRQJYNTIZMHNC-LBPRGKRZSA-N 0 0 343.387 1.383 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](c1ccco1)N(C)C)CC2 ZINC000114911382 441697004 /nfs/dbraw/zinc/69/70/04/441697004.db2.gz SNLLWEBZZUHXIG-QWHCGFSZSA-N 0 0 346.435 1.350 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCOc1ccccc1C)CC2 ZINC000114939147 441700536 /nfs/dbraw/zinc/70/05/36/441700536.db2.gz VEZKBADAEBNTLY-CQSZACIVSA-N 0 0 343.431 1.842 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCN1CCOCC1 ZINC000114580891 441668057 /nfs/dbraw/zinc/66/80/57/441668057.db2.gz YVJPAFBPHUONAL-HNNXBMFYSA-N 0 0 335.452 1.216 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)CN1CCOCC1 ZINC000114587609 441668717 /nfs/dbraw/zinc/66/87/17/441668717.db2.gz XSGHMNMDUUVLCL-XJKSGUPXSA-N 0 0 349.479 1.604 10 0 EDAERN COc1ccc(CCN(CC(C)C)C(=O)[C@H]2CNC(=O)C2)cc1OC ZINC000115218750 441717299 /nfs/dbraw/zinc/71/72/99/441717299.db2.gz ITHZWQSZWWXBKV-OAHLLOKOSA-N 0 0 348.443 1.867 10 0 EDAERN COC(=O)NCCC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091766601 441737765 /nfs/dbraw/zinc/73/77/65/441737765.db2.gz DUJWYJILCUSTDN-MFKMUULPSA-N 0 0 328.315 1.345 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3c(C)noc3C)CCO2)[nH]1 ZINC000137404556 441767850 /nfs/dbraw/zinc/76/78/50/441767850.db2.gz RIWKGKMFSIZHOH-LBPRGKRZSA-N 0 0 334.380 1.255 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CSCCS1)CC2 ZINC000136871033 441730357 /nfs/dbraw/zinc/73/03/57/441730357.db2.gz CAIOWYRXADKIOB-MNOVXSKESA-N 0 0 326.491 1.681 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1ccccc1C=O)CC2 ZINC000136878975 441730381 /nfs/dbraw/zinc/73/03/81/441730381.db2.gz BCRFOEITYDBHFQ-CQSZACIVSA-N 0 0 342.399 1.724 10 0 EDAERN CCOc1ccccc1NC(=O)CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173666594 441819454 /nfs/dbraw/zinc/81/94/54/441819454.db2.gz KEBOPZFQEYTJQT-OAHLLOKOSA-N 0 0 345.403 1.524 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(-c4cccs4)n[nH]3)CCO2)[nH]1 ZINC000173527734 441778774 /nfs/dbraw/zinc/77/87/74/441778774.db2.gz OSUVBZJKODREBQ-GFCCVEGCSA-N 0 0 344.400 1.778 10 0 EDAERN CCSc1ccc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cn1 ZINC000173539140 441783853 /nfs/dbraw/zinc/78/38/53/441783853.db2.gz CCCQMGRHNXYSFM-GFCCVEGCSA-N 0 0 333.417 1.834 10 0 EDAERN CCN(CCCNC(=O)N1CCC[C@@H]1c1ccco1)S(C)(=O)=O ZINC000116423557 441820874 /nfs/dbraw/zinc/82/08/74/441820874.db2.gz OZJYXCRRJLSTPC-CYBMUJFWSA-N 0 0 343.449 1.798 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccccc3COC)CCO2)[nH]1 ZINC000173573102 441795877 /nfs/dbraw/zinc/79/58/77/441795877.db2.gz FYLRFDXFGOAOJZ-CQSZACIVSA-N 0 0 330.388 1.727 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)CSCc3cccnc3)CCO2)[nH]1 ZINC000173581807 441797969 /nfs/dbraw/zinc/79/79/69/441797969.db2.gz LDXYZVIOIZIJFC-ZDUSSCGKSA-N 0 0 347.444 1.595 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(-n3cncn3)cc2C)CC1 ZINC000173585609 441799965 /nfs/dbraw/zinc/79/99/65/441799965.db2.gz IVEULSZXVKFCPD-MRXNPFEDSA-N 0 0 343.431 1.104 10 0 EDAERN COc1cccc(NC(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000173673633 441821092 /nfs/dbraw/zinc/82/10/92/441821092.db2.gz CEZSFEFZVRAQCP-CQSZACIVSA-N 0 0 331.376 1.134 10 0 EDAERN C[C@H](NC(=O)CN1CSCC1=O)c1cccc(-n2ccnc2)c1 ZINC000173917347 441862623 /nfs/dbraw/zinc/86/26/23/441862623.db2.gz NTTUIIIVVANXAY-LBPRGKRZSA-N 0 0 330.413 1.582 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)C[C@H]1N1CCOCC1 ZINC000173957770 441868824 /nfs/dbraw/zinc/86/88/24/441868824.db2.gz LPJVCKOKSCVXDU-RDTXWAMCSA-N 0 0 342.439 1.537 10 0 EDAERN CCc1nc(C2(NCCCN3C(=O)NC(C)(C)C3=O)CCCC2)no1 ZINC000173689629 441824256 /nfs/dbraw/zinc/82/42/56/441824256.db2.gz UOOJUSUONLGPEH-UHFFFAOYSA-N 0 0 349.435 1.711 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173696178 441825381 /nfs/dbraw/zinc/82/53/81/441825381.db2.gz NYHSKJNBEAOFPE-CQSZACIVSA-N 0 0 343.387 1.227 10 0 EDAERN CCc1ccc(OCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173849332 441850494 /nfs/dbraw/zinc/85/04/94/441850494.db2.gz GQSPYIZZINCGGO-CRAIPNDOSA-N 0 0 332.444 1.807 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1cscn1 ZINC000149383060 441924387 /nfs/dbraw/zinc/92/43/87/441924387.db2.gz YAIBBQCQBSZOAX-LBPRGKRZSA-N 0 0 331.463 1.306 10 0 EDAERN CC(=O)N1CCN(c2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 ZINC000145425406 441890633 /nfs/dbraw/zinc/89/06/33/441890633.db2.gz HFQGHKMNBNRFCI-UHFFFAOYSA-N 0 0 339.461 1.289 10 0 EDAERN O=C1N[C@H](c2cc(Cl)ccc2Br)N2CCOC[C@@H]12 ZINC000093883109 441898172 /nfs/dbraw/zinc/89/81/72/441898172.db2.gz UORMVDSEEISRMM-QWRGUYRKSA-N 0 0 331.597 1.932 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)c2cn(CC(=O)C(C)(C)C)nn2)cn1 ZINC000174612273 441944742 /nfs/dbraw/zinc/94/47/42/441944742.db2.gz IORUVEMFUOWFAY-CQSZACIVSA-N 0 0 344.419 1.604 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCN1C[C@@H](C)O ZINC000174623887 441945311 /nfs/dbraw/zinc/94/53/11/441945311.db2.gz IQAPLGSCMUPYRX-KDOFPFPSSA-N 0 0 344.455 1.662 10 0 EDAERN Cc1cc(C)n(C2CN(C(=O)Cn3sc4ccccc4c3=O)C2)n1 ZINC000095523751 441949001 /nfs/dbraw/zinc/94/90/01/441949001.db2.gz DPKOIVHGDNVSMA-UHFFFAOYSA-N 0 0 342.424 1.960 10 0 EDAERN CNc1c(Cl)ncnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000124926815 441966076 /nfs/dbraw/zinc/96/60/76/441966076.db2.gz AKGJLIXNQIWDSD-UHFFFAOYSA-N 0 0 349.870 1.844 10 0 EDAERN C[C@H](CNC(=O)Nc1cccnc1Br)N1CCOCC1 ZINC000120035651 441997358 /nfs/dbraw/zinc/99/73/58/441997358.db2.gz NUIUIQJOGOCZCX-SNVBAGLBSA-N 0 0 343.225 1.686 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)CCOC(C)C)CCCC2)no1 ZINC000175210295 442018270 /nfs/dbraw/zinc/01/82/70/442018270.db2.gz NUFFVSBMINNQQV-UHFFFAOYSA-N 0 0 331.438 1.746 10 0 EDAERN O=C(NCCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C1CCC1 ZINC000151209453 442025364 /nfs/dbraw/zinc/02/53/64/442025364.db2.gz KXOMVWLNZZRPCX-CRAIPNDOSA-N 0 0 337.464 1.629 10 0 EDAERN O=C(Cc1ccccc1)NCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151273449 442035245 /nfs/dbraw/zinc/03/52/45/442035245.db2.gz UUMXEYJQYFUFNJ-PXNSSMCTSA-N 0 0 344.455 1.889 10 0 EDAERN Cc1ccc([C@H](CNC(=O)Nc2ccn(C)n2)N2CCOCC2)s1 ZINC000175302937 442037756 /nfs/dbraw/zinc/03/77/56/442037756.db2.gz LQPOCIVEKMFOFB-ZDUSSCGKSA-N 0 0 349.460 1.985 10 0 EDAERN COc1cc(OC)c(NC(=O)[C@@H]2CNC(=O)C2)cc1Br ZINC000161983689 442052937 /nfs/dbraw/zinc/05/29/37/442052937.db2.gz KHKDGVXMSQADGU-ZETCQYMHSA-N 0 0 343.177 1.541 10 0 EDAERN CCn1cc(C(=O)C(=O)N[C@H](CC(=O)OC)c2ccccc2)cn1 ZINC000125858378 442055462 /nfs/dbraw/zinc/05/54/62/442055462.db2.gz PKBPSDPUGWRXLS-CQSZACIVSA-N 0 0 329.356 1.506 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000126417431 442109346 /nfs/dbraw/zinc/10/93/46/442109346.db2.gz GUHGCTVIGYKKCP-ZDUSSCGKSA-N 0 0 340.811 1.424 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)Nc3ccc(F)nc3)CC2)n1 ZINC000126474144 442115229 /nfs/dbraw/zinc/11/52/29/442115229.db2.gz CVKNPVFWGNJKNG-UHFFFAOYSA-N 0 0 346.366 1.764 10 0 EDAERN C[C@H](CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)Oc1ccccc1 ZINC000175784335 442121545 /nfs/dbraw/zinc/12/15/45/442121545.db2.gz ZJFLROKROHHLFY-NUJGCVRESA-N 0 0 347.459 1.816 10 0 EDAERN COc1cccc(OC)c1CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000120728902 442123814 /nfs/dbraw/zinc/12/38/14/442123814.db2.gz MWDGLDBCLGKBOB-CYBMUJFWSA-N 0 0 329.400 1.996 10 0 EDAERN C[C@@]1(c2ccccc2)CN(C(=O)N[C@H]2CCc3ncnn3C2)CCO1 ZINC000151829765 442126435 /nfs/dbraw/zinc/12/64/35/442126435.db2.gz RQWZOPRNMCWPMN-YJBOKZPZSA-N 0 0 341.415 1.550 10 0 EDAERN COCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000151830528 442126606 /nfs/dbraw/zinc/12/66/06/442126606.db2.gz LYDVESRMDSFSBJ-CYBMUJFWSA-N 0 0 333.392 1.353 10 0 EDAERN CN(C)C(=O)c1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000126615216 442127275 /nfs/dbraw/zinc/12/72/75/442127275.db2.gz CYZWZOGEMDDNHG-AWEZNQCLSA-N 0 0 341.415 1.532 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(C2OCCO2)CC1 ZINC000175869402 442137418 /nfs/dbraw/zinc/13/74/18/442137418.db2.gz YOPONKXIZYHUMZ-CYBMUJFWSA-N 0 0 335.408 1.216 10 0 EDAERN COc1cccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1OC ZINC000126750897 442140110 /nfs/dbraw/zinc/14/01/10/442140110.db2.gz WLJVLPACQDTNAF-CYBMUJFWSA-N 0 0 330.388 1.848 10 0 EDAERN O=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CCCC[C@@H]1CO ZINC000175909582 442144265 /nfs/dbraw/zinc/14/42/65/442144265.db2.gz LVEOOXHMDHFYEE-ZIAGYGMSSA-N 0 0 335.452 1.397 10 0 EDAERN COc1cccc(CCNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175658496 442100554 /nfs/dbraw/zinc/10/05/54/442100554.db2.gz BGSVMNIZABFPNP-MAUKXSAKSA-N 0 0 347.459 1.600 10 0 EDAERN CCOC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000127135439 442173697 /nfs/dbraw/zinc/17/36/97/442173697.db2.gz XXHMQSQMJZQXMU-CABCVRRESA-N 0 0 349.435 1.385 10 0 EDAERN CC(C)c1cccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176101207 442176359 /nfs/dbraw/zinc/17/63/59/442176359.db2.gz NNEPTLOFWAIVKX-AWEZNQCLSA-N 0 0 327.388 1.991 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000121176471 442187700 /nfs/dbraw/zinc/18/77/00/442187700.db2.gz CQYLRUGOYAJVEM-CYBMUJFWSA-N 0 0 331.424 1.471 10 0 EDAERN C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000152343094 442199923 /nfs/dbraw/zinc/19/99/23/442199923.db2.gz IJVWEOUZDFZVDD-ZIAGYGMSSA-N 0 0 332.429 1.686 10 0 EDAERN CSC[C@@](C)(O)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121301849 442200472 /nfs/dbraw/zinc/20/04/72/442200472.db2.gz YPLRCIXZGYSDFH-YGRLFVJLSA-N 0 0 327.454 1.089 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCSc3ccccn3)CCO2)[nH]1 ZINC000121305769 442201669 /nfs/dbraw/zinc/20/16/69/442201669.db2.gz UPKNMZHUENZPHD-LBPRGKRZSA-N 0 0 333.417 1.590 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2nc(C)cs2)C1 ZINC000175989494 442158563 /nfs/dbraw/zinc/15/85/63/442158563.db2.gz IDMBITYVBDLMPX-NSHDSACASA-N 0 0 338.433 1.297 10 0 EDAERN CCOCCN1CCN(C(=O)c2cn(CCC(C)C)nn2)C[C@@H]1C ZINC000152051067 442158736 /nfs/dbraw/zinc/15/87/36/442158736.db2.gz JCXXGDRWKLIDIA-HNNXBMFYSA-N 0 0 337.468 1.507 10 0 EDAERN CCOC(=O)CNC(=O)[C@H](Br)CCBr ZINC000166653672 442217428 /nfs/dbraw/zinc/21/74/28/442217428.db2.gz UTOBIGIPSJPXEX-ZCFIWIBFSA-N 0 0 331.004 1.214 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccc(-n2cccn2)cc1 ZINC000176435715 442221950 /nfs/dbraw/zinc/22/19/50/442221950.db2.gz UVELNCFQTAADHO-YOEHRIQHSA-N 0 0 343.431 1.563 10 0 EDAERN COC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000170518323 442232687 /nfs/dbraw/zinc/23/26/87/442232687.db2.gz USTXQDAQHQIXFP-RYUDHWBXSA-N 0 0 344.367 1.083 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(N(C)C)n1 ZINC000152647112 442234589 /nfs/dbraw/zinc/23/45/89/442234589.db2.gz QSHJGNUCWGMUOL-NSHDSACASA-N 0 0 345.407 1.542 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(OCC(F)F)n2)C[C@@H]1C ZINC000128006239 442239238 /nfs/dbraw/zinc/23/92/38/442239238.db2.gz XLFDGIDIWLNMKV-LBPRGKRZSA-N 0 0 343.374 1.518 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)C3(O)CCCCC3)CC2)n1 ZINC000128144564 442248245 /nfs/dbraw/zinc/24/82/45/442248245.db2.gz QZHGZJBULLTBKI-UHFFFAOYSA-N 0 0 348.447 1.528 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)NCCCSC)CC2)n1 ZINC000153492385 442285509 /nfs/dbraw/zinc/28/55/09/442285509.db2.gz VBWNBGOKHUPKNS-GFCCVEGCSA-N 0 0 341.481 1.773 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000170758420 442258755 /nfs/dbraw/zinc/25/87/55/442258755.db2.gz MSCDIXXUWRIIPF-CYBMUJFWSA-N 0 0 346.349 1.965 10 0 EDAERN O=C(Cc1ccc(O)cc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000177281922 442324398 /nfs/dbraw/zinc/32/43/98/442324398.db2.gz FSCCNEGJGWWKPT-HNNXBMFYSA-N 0 0 331.393 1.970 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)o1 ZINC000171220468 442329844 /nfs/dbraw/zinc/32/98/44/442329844.db2.gz KFTPHZJWOJRRGN-GFCCVEGCSA-N 0 0 339.355 1.985 10 0 EDAERN CN(C)[C@H](CNC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccco1 ZINC000177347197 442330727 /nfs/dbraw/zinc/33/07/27/442330727.db2.gz PVTYSMKJLNFFPV-HUUCEWRRSA-N 0 0 331.420 1.953 10 0 EDAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(CC)C2)o1 ZINC000177352214 442331253 /nfs/dbraw/zinc/33/12/53/442331253.db2.gz KDTAYFQYZFHZNO-NSHDSACASA-N 0 0 330.406 1.219 10 0 EDAERN CC(=O)N[C@H](C(=O)N1CCC[C@H](Cc2noc(C)n2)C1)C1CCCC1 ZINC000171240557 442332705 /nfs/dbraw/zinc/33/27/05/442332705.db2.gz JERGEGZAVDSMCY-PBHICJAKSA-N 0 0 348.447 1.854 10 0 EDAERN CC(C)NC(=O)CCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177382097 442335137 /nfs/dbraw/zinc/33/51/37/442335137.db2.gz WMKIFJYEPOJHRR-GFCCVEGCSA-N 0 0 337.424 1.954 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000177200213 442312737 /nfs/dbraw/zinc/31/27/37/442312737.db2.gz ZRYDCLWBYIKEPE-MRXNPFEDSA-N 0 0 337.387 1.472 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000177200197 442313068 /nfs/dbraw/zinc/31/30/68/442313068.db2.gz ZRYDCLWBYIKEPE-INIZCTEOSA-N 0 0 337.387 1.472 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(CCCCO)C1CC1)CC2 ZINC000129386366 442314551 /nfs/dbraw/zinc/31/45/51/442314551.db2.gz NMCXFMXTMGAVTE-CYBMUJFWSA-N 0 0 335.452 1.663 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000171638996 442365740 /nfs/dbraw/zinc/36/57/40/442365740.db2.gz HNJLMMUYVBMKRM-AWEZNQCLSA-N 0 0 345.365 1.878 10 0 EDAERN O=S(=O)(Cc1ncc(-c2ccc(Cl)cc2)o1)C[C@@H](O)CO ZINC000177673945 442368603 /nfs/dbraw/zinc/36/86/03/442368603.db2.gz FWZHMYSJKURZBT-NSHDSACASA-N 0 0 331.777 1.263 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NC(=O)NCc1cccs1 ZINC000171702834 442372169 /nfs/dbraw/zinc/37/21/69/442372169.db2.gz NWWYKPBDNKSWOZ-GFCCVEGCSA-N 0 0 348.432 1.003 10 0 EDAERN CN(C)C(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177750615 442379571 /nfs/dbraw/zinc/37/95/71/442379571.db2.gz MTOGACMPMYASEO-MRXNPFEDSA-N 0 0 326.400 1.890 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)c1 ZINC000177604346 442361507 /nfs/dbraw/zinc/36/15/07/442361507.db2.gz YCEJFCVHQOJQBZ-HUUCEWRRSA-N 0 0 333.432 1.155 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCN1C[C@@H](C)O ZINC000177612165 442362871 /nfs/dbraw/zinc/36/28/71/442362871.db2.gz LUGVVHBUCVBJOC-OLZOCXBDSA-N 0 0 337.395 1.068 10 0 EDAERN O=C(CCN1C(=O)CCc2ccccc21)N[C@@H]1CCCn2ncnc21 ZINC000177618965 442363574 /nfs/dbraw/zinc/36/35/74/442363574.db2.gz BNYUIFOIMOQECD-CQSZACIVSA-N 0 0 339.399 1.599 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)CS(C)(=O)=O ZINC000172076475 442407129 /nfs/dbraw/zinc/40/71/29/442407129.db2.gz POLKREWYRNPIBR-ZWNOBZJWSA-N 0 0 342.465 1.317 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCOCC1CC1)CC2 ZINC000155566448 442408440 /nfs/dbraw/zinc/40/84/40/442408440.db2.gz PSMDFZKILMTLDF-AWEZNQCLSA-N 0 0 335.452 1.832 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000172104588 442409805 /nfs/dbraw/zinc/40/98/05/442409805.db2.gz YTBJQVVXZBJFKI-SWLSCSKDSA-N 0 0 346.408 1.884 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000155750124 442424376 /nfs/dbraw/zinc/42/43/76/442424376.db2.gz BHMLLGXNMKCQPU-LBPRGKRZSA-N 0 0 342.754 1.972 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)c1 ZINC000172245080 442428969 /nfs/dbraw/zinc/42/89/69/442428969.db2.gz LDYNTYPLNVXFDD-LBPRGKRZSA-N 0 0 327.388 1.747 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(N)nc(Cl)c2)CCN1CCOC ZINC000172230152 442426637 /nfs/dbraw/zinc/42/66/37/442426637.db2.gz WUGVMKIPSYSFGC-LBPRGKRZSA-N 0 0 326.828 1.500 10 0 EDAERN C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000172241207 442428498 /nfs/dbraw/zinc/42/84/98/442428498.db2.gz YZBZNXVKHFZTRI-JSGCOSHPSA-N 0 0 327.450 1.022 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000172270462 442433486 /nfs/dbraw/zinc/43/34/86/442433486.db2.gz GZVMVHIPJQLKDP-CQSZACIVSA-N 0 0 348.428 1.409 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178498672 442438985 /nfs/dbraw/zinc/43/89/85/442438985.db2.gz YVDHEFBYJHEGKK-CRAIPNDOSA-N 0 0 334.464 1.916 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc(O)cc2)ncn1 ZINC000134022040 442446685 /nfs/dbraw/zinc/44/66/85/442446685.db2.gz PSKPKNPNPFQTRF-CQSZACIVSA-N 0 0 341.415 1.552 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](Nc1ncnc(-n3cccn3)c1N)CC2 ZINC000178617393 442448477 /nfs/dbraw/zinc/44/84/77/442448477.db2.gz NLCJJICFEVNHHP-NSHDSACASA-N 0 0 339.407 1.386 10 0 EDAERN CCOCCCNC(=O)C1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000191694121 442491219 /nfs/dbraw/zinc/49/12/19/442491219.db2.gz BSKXXKJKRYQHEB-GOEBONIOSA-N 0 0 340.464 1.583 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3c(C)nsc3NC)CCO2)cn1 ZINC000191715005 442496271 /nfs/dbraw/zinc/49/62/71/442496271.db2.gz AIHHQLOVKRIYST-LBPRGKRZSA-N 0 0 335.433 1.923 10 0 EDAERN COC[C@H](C)S(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172605306 442501865 /nfs/dbraw/zinc/50/18/65/442501865.db2.gz XXJYCRNDJMWWKD-LBPRGKRZSA-N 0 0 339.417 1.315 10 0 EDAERN O=C(c1ncn(-c2ccccc2)n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000156614294 442502055 /nfs/dbraw/zinc/50/20/55/442502055.db2.gz JJLSRLJQKSEVCA-OAHLLOKOSA-N 0 0 338.371 1.005 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC3(C4CC4)CC3)C2=O)n(C)n1 ZINC000178720644 442463839 /nfs/dbraw/zinc/46/38/39/442463839.db2.gz DEWATPOQPSHIRW-CQSZACIVSA-N 0 0 345.447 1.713 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)n1 ZINC000134365291 442474083 /nfs/dbraw/zinc/47/40/83/442474083.db2.gz PLWVOKAWFVVKBK-GJZGRUSLSA-N 0 0 342.447 1.977 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000134408621 442478949 /nfs/dbraw/zinc/47/89/49/442478949.db2.gz QXSNMYJECSWOKA-RYUDHWBXSA-N 0 0 337.424 1.564 10 0 EDAERN CCCCN(CCCO)C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000179602531 442480577 /nfs/dbraw/zinc/48/05/77/442480577.db2.gz VJLKTQIYDXVXLW-ZDUSSCGKSA-N 0 0 339.440 1.454 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCC(=O)NC(C)C)CC2)cn1 ZINC000172535423 442483122 /nfs/dbraw/zinc/48/31/22/442483122.db2.gz HVFUBWLWFFLOID-UHFFFAOYSA-N 0 0 335.452 1.707 10 0 EDAERN CSc1nc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c2ccccn21 ZINC000172753084 442533966 /nfs/dbraw/zinc/53/39/66/442533966.db2.gz ATESCNNWVCRRJE-CYBMUJFWSA-N 0 0 346.456 1.603 10 0 EDAERN COc1ccc2[nH]cc(CC(=O)N3CC[C@@H](N4CCOCC4)C3)c2c1 ZINC000172756786 442536286 /nfs/dbraw/zinc/53/62/86/442536286.db2.gz KSGFBZDZAQLXCN-OAHLLOKOSA-N 0 0 343.427 1.652 10 0 EDAERN Cc1nnc([C@H]2CN(CCC(=O)N(C)c3ccccc3)CCO2)[nH]1 ZINC000135105924 442556842 /nfs/dbraw/zinc/55/68/42/442556842.db2.gz XUTJRRWRPBPLHJ-OAHLLOKOSA-N 0 0 329.404 1.540 10 0 EDAERN O=C(c1ccc(OC(F)F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742168 442529995 /nfs/dbraw/zinc/52/99/95/442529995.db2.gz FENRYZLFCNGXSV-CYBMUJFWSA-N 0 0 326.343 1.835 10 0 EDAERN O=C(c1c(Cl)nc2ccccn21)N1CC[C@H](N2CCOCC2)C1 ZINC000172747044 442531944 /nfs/dbraw/zinc/53/19/44/442531944.db2.gz CRMMZDAETWKQRF-LBPRGKRZSA-N 0 0 334.807 1.534 10 0 EDAERN CCCOc1nc(C)ccc1C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000191888608 442533490 /nfs/dbraw/zinc/53/34/90/442533490.db2.gz DMJDGJXRKPNDAK-OAHLLOKOSA-N 0 0 335.448 1.972 10 0 EDAERN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCOC[C@H]1C(N)=O ZINC000180269413 442570110 /nfs/dbraw/zinc/57/01/10/442570110.db2.gz IVYHITQPURSCQO-SCZZXKLOSA-N 0 0 347.198 1.473 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(C)c(O)c3)CCO2)[nH]1 ZINC000180345843 442583976 /nfs/dbraw/zinc/58/39/76/442583976.db2.gz WHNPBURTWZYGDA-AWEZNQCLSA-N 0 0 330.388 1.524 10 0 EDAERN CN(CC1CCCCC1)C(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186677676 442588791 /nfs/dbraw/zinc/58/87/91/442588791.db2.gz AFJDAKPHCVWTEB-UHFFFAOYSA-N 0 0 339.480 1.506 10 0 EDAERN C[C@@H]1CN(c2nn3c(nccc3=O)s2)CCN1CC(F)(F)F ZINC000135393007 442591517 /nfs/dbraw/zinc/59/15/17/442591517.db2.gz STQQQPMJMJAHTO-MRVPVSSYSA-N 0 0 333.339 1.224 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccc(OCC3CC3)nc2)C1)C1CC1 ZINC000186702118 442594735 /nfs/dbraw/zinc/59/47/35/442594735.db2.gz XJJKROBOUQXIAQ-UHFFFAOYSA-N 0 0 344.415 1.290 10 0 EDAERN CCCCS(=O)(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192149829 442603395 /nfs/dbraw/zinc/60/33/95/442603395.db2.gz IZDNMWSYSXWXPL-UHFFFAOYSA-N 0 0 348.509 1.854 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000173105436 442604886 /nfs/dbraw/zinc/60/48/86/442604886.db2.gz QGNATLMNSNDCPD-GFCCVEGCSA-N 0 0 344.253 1.316 10 0 EDAERN Cc1c(CCC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cnn1C ZINC000135189558 442567133 /nfs/dbraw/zinc/56/71/33/442567133.db2.gz RUTRJDYEKOSTDA-MRXNPFEDSA-N 0 0 342.447 1.579 10 0 EDAERN Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180253239 442567477 /nfs/dbraw/zinc/56/74/77/442567477.db2.gz KVEWIDOIBCEMLI-BBRMVZONSA-N 0 0 349.406 1.252 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180645536 442641899 /nfs/dbraw/zinc/64/18/99/442641899.db2.gz GGEIRPOSFZBYJJ-IAQYHMDHSA-N 0 0 340.383 1.782 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000179294024 442614516 /nfs/dbraw/zinc/61/45/16/442614516.db2.gz GGJZWXNZZWAIST-BMFZPTHFSA-N 0 0 333.432 1.461 10 0 EDAERN CCOC(=O)NCCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000179299221 442615247 /nfs/dbraw/zinc/61/52/47/442615247.db2.gz FSVJMDUKMLTJFL-GFCCVEGCSA-N 0 0 337.424 1.359 10 0 EDAERN O=C1N[C@]2(CCOC2)C(=O)N1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000157867666 442622668 /nfs/dbraw/zinc/62/26/68/442622668.db2.gz KUIWUQSAAQSHGP-FZMZJTMJSA-N 0 0 344.289 1.450 10 0 EDAERN C[C@H](Sc1nncn1C)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135691108 442625782 /nfs/dbraw/zinc/62/57/82/442625782.db2.gz DLYVLFCLTZKDFK-WCQYABFASA-N 0 0 333.417 1.371 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@H](C)CN3CCOCC3)CC2)n1 ZINC000180616207 442634673 /nfs/dbraw/zinc/63/46/73/442634673.db2.gz UPHBOGUIQAKOGL-MRXNPFEDSA-N 0 0 349.479 1.026 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C(N)=O)[nH]n2)c(C)c1 ZINC000187490320 442678800 /nfs/dbraw/zinc/67/88/00/442678800.db2.gz JGHIHYXXYGARIB-HNNXBMFYSA-N 0 0 328.372 1.020 10 0 EDAERN O=C(CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)N1CCOCC1 ZINC000181087494 442679879 /nfs/dbraw/zinc/67/98/79/442679879.db2.gz GMHBQYLFUDENEI-WBVHZDCISA-N 0 0 332.400 1.129 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)c3cnc(Cl)cn3)CC2)s1 ZINC000192740929 442682519 /nfs/dbraw/zinc/68/25/19/442682519.db2.gz KSRQLOUPZXYRPL-UHFFFAOYSA-N 0 0 337.836 1.853 10 0 EDAERN COCc1cc(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)ncn1 ZINC000181630873 442707425 /nfs/dbraw/zinc/70/74/25/442707425.db2.gz MKBMJBOLTVOWIK-NSHDSACASA-N 0 0 345.407 1.474 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000180809342 442660982 /nfs/dbraw/zinc/66/09/82/442660982.db2.gz FNKRRJTWTPTASQ-GFCCVEGCSA-N 0 0 329.404 1.762 10 0 EDAERN CN(Cc1ncc(Cl)n1C)C(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000181768662 442715372 /nfs/dbraw/zinc/71/53/72/442715372.db2.gz MPWBLTUFBRXWFG-GFCCVEGCSA-N 0 0 349.822 1.312 10 0 EDAERN CCSc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000193156574 442718123 /nfs/dbraw/zinc/71/81/23/442718123.db2.gz OWYKXVNRVZSIBP-DJSGYFEHSA-N 0 0 336.457 1.958 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC(Cn2cncn2)CC1)C(C)C ZINC000188204761 442723869 /nfs/dbraw/zinc/72/38/69/442723869.db2.gz NOCVYTGITWXSMG-KRWDZBQOSA-N 0 0 349.479 1.704 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000188208385 442724414 /nfs/dbraw/zinc/72/44/14/442724414.db2.gz RGUOTGJPTYLFIL-OAHLLOKOSA-N 0 0 329.393 1.991 10 0 EDAERN CCCCOC[C@H](O)Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000193383784 442738010 /nfs/dbraw/zinc/73/80/10/442738010.db2.gz IWSKORWEIVUBRQ-CQSZACIVSA-N 0 0 343.387 1.155 10 0 EDAERN Cc1cc(N2CCC[C@H](N[C@@H](C)c3nccnc3C)C2=O)n(C)n1 ZINC000188350034 442741934 /nfs/dbraw/zinc/74/19/34/442741934.db2.gz ZYPSYIMVXXTTAJ-KBPBESRZSA-N 0 0 328.420 1.673 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)C1 ZINC000193575311 442755311 /nfs/dbraw/zinc/75/53/11/442755311.db2.gz FVZOCVJGFSGHDQ-CQSZACIVSA-N 0 0 338.429 1.139 10 0 EDAERN Cc1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)c(Br)n1 ZINC000188071488 442708180 /nfs/dbraw/zinc/70/81/80/442708180.db2.gz YAVPHZGBFXVHAW-VIFPVBQESA-N 0 0 326.194 1.503 10 0 EDAERN C[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)C[C@H]1N1CCOCC1 ZINC000246515870 442787969 /nfs/dbraw/zinc/78/79/69/442787969.db2.gz QZGRRHSYPHHZKE-MLGOLLRUSA-N 0 0 339.386 1.556 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@H](C)N1CCCCC1=O)C(C)C ZINC000188750026 442804035 /nfs/dbraw/zinc/80/40/35/442804035.db2.gz LQGZZVIDMNVXGB-YOEHRIQHSA-N 0 0 339.480 1.691 10 0 EDAERN CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182395358 442763498 /nfs/dbraw/zinc/76/34/98/442763498.db2.gz ZXFIXABSIBVXBK-GFCCVEGCSA-N 0 0 344.481 1.404 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(Br)ccc1C ZINC000188666301 442783790 /nfs/dbraw/zinc/78/37/90/442783790.db2.gz OTYKLXGFQCLAMQ-DGCLKSJQSA-N 0 0 341.205 1.678 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246835124 442816399 /nfs/dbraw/zinc/81/63/99/442816399.db2.gz BHEGMBSXWSECPO-GJZGRUSLSA-N 0 0 333.432 1.155 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246843543 442817758 /nfs/dbraw/zinc/81/77/58/442817758.db2.gz BUIRAFYEJPHOPL-KGLIPLIRSA-N 0 0 333.432 1.101 10 0 EDAERN CC[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000246860983 442818076 /nfs/dbraw/zinc/81/80/76/442818076.db2.gz SKOVZASYNXCDHA-KBPBESRZSA-N 0 0 339.823 1.093 10 0 EDAERN O=C(c1ccccc1-n1ccnn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000182807399 442828708 /nfs/dbraw/zinc/82/87/08/442828708.db2.gz WMYDWUVTBAZLNW-CQSZACIVSA-N 0 0 338.371 1.005 10 0 EDAERN CC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1cc(F)ccc1F ZINC000189097011 442877348 /nfs/dbraw/zinc/87/73/48/442877348.db2.gz SPSKAOHULXYIEW-BYCMXARLSA-N 0 0 326.343 1.514 10 0 EDAERN CN(C1CCN(C)CC1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000194332065 442878491 /nfs/dbraw/zinc/87/84/91/442878491.db2.gz FHFYWSUJLIPYJH-GUYCJALGSA-N 0 0 342.505 1.738 10 0 EDAERN C[C@H]1CC[C@H](C(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)O1 ZINC000178169415 318447895 /nfs/dbraw/zinc/44/78/95/318447895.db2.gz ZZKRFVMTPTXKQY-XHDPSFHLSA-N 0 0 338.429 1.510 10 0 EDAERN CCCS(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248367904 442887931 /nfs/dbraw/zinc/88/79/31/442887931.db2.gz UOWILIFWCDHFBR-QWHCGFSZSA-N 0 0 332.491 1.839 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(CCO)CC(F)F ZINC000194409046 442891605 /nfs/dbraw/zinc/89/16/05/442891605.db2.gz AYZKBTZYSRORNU-IUODEOHRSA-N 0 0 342.386 1.917 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CCO[C@@H]3CCCCO3)CC2)n1 ZINC000181690548 318487786 /nfs/dbraw/zinc/48/77/86/318487786.db2.gz POMVDPSURFBRFK-GDBMZVCRSA-N 0 0 338.452 1.854 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000182036010 318496090 /nfs/dbraw/zinc/49/60/90/318496090.db2.gz GPPKGXIJAZCUCF-IUODEOHRSA-N 0 0 338.452 1.493 10 0 EDAERN Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3CN(C)CCO3)cc2)n1 ZINC000194600057 442920355 /nfs/dbraw/zinc/92/03/55/442920355.db2.gz KBHADWBIBZWUBZ-SFHVURJKSA-N 0 0 342.443 1.609 10 0 EDAERN CN1CCO[C@H](CNC(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000194600139 442920383 /nfs/dbraw/zinc/92/03/83/442920383.db2.gz HRFXCDPGFFTPHK-MRXNPFEDSA-N 0 0 336.407 1.321 10 0 EDAERN Cc1nc2cc(F)cc(C(=O)NC[C@H]3CN(C)CCO3)c2nc1C ZINC000194605717 442921710 /nfs/dbraw/zinc/92/17/10/442921710.db2.gz ZCMGKFQUKPMIOH-ZDUSSCGKSA-N 0 0 332.379 1.446 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)Cn2ccc(C)cc2=O)C1 ZINC000194618470 442924336 /nfs/dbraw/zinc/92/43/36/442924336.db2.gz UZBJUSXGRNGESS-AWEZNQCLSA-N 0 0 329.404 1.174 10 0 EDAERN CC(=O)N[C@@H](CC(=O)NC[C@H]1CN(C)CCO1)c1ccc(C)cc1 ZINC000194616189 442924696 /nfs/dbraw/zinc/92/46/96/442924696.db2.gz QFRXWNAEHPTAMU-IRXDYDNUSA-N 0 0 333.432 1.009 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000189361566 442929338 /nfs/dbraw/zinc/92/93/38/442929338.db2.gz SANIRXWEHPDFFV-IUODEOHRSA-N 0 0 338.354 1.094 10 0 EDAERN CC(C)NC(=O)Nc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189375518 442933286 /nfs/dbraw/zinc/93/32/86/442933286.db2.gz IYRBENGCBDFJIU-UHFFFAOYSA-N 0 0 344.415 1.567 10 0 EDAERN Cc1ccn(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)c1 ZINC000194679642 442936219 /nfs/dbraw/zinc/93/62/19/442936219.db2.gz XXXUQUJARNCMEJ-ZDUSSCGKSA-N 0 0 335.404 1.282 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCCOC2CCCC2)CC1 ZINC000184986935 318540962 /nfs/dbraw/zinc/54/09/62/318540962.db2.gz ATSBKVJWIKVBJX-HNNXBMFYSA-N 0 0 327.469 1.434 10 0 EDAERN COCc1cc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)ccc1F ZINC000188843859 318562390 /nfs/dbraw/zinc/56/23/90/318562390.db2.gz LITXPVKKMIBOFF-UHFFFAOYSA-N 0 0 349.406 1.782 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2c2nc(C)no2)c(C)s1 ZINC000183745760 442959521 /nfs/dbraw/zinc/95/95/21/442959521.db2.gz BBEGTFGDUIDCKO-NSHDSACASA-N 0 0 343.430 1.819 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCCc3ccc(F)cc32)C1 ZINC000193666761 318585261 /nfs/dbraw/zinc/58/52/61/318585261.db2.gz SXDGQDJISHJILJ-HNNXBMFYSA-N 0 0 347.390 1.232 10 0 EDAERN O=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000194824577 318593496 /nfs/dbraw/zinc/59/34/96/318593496.db2.gz ABSMTVYTYPFMEF-HNNXBMFYSA-N 0 0 337.379 1.691 10 0 EDAERN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195045435 442979242 /nfs/dbraw/zinc/97/92/42/442979242.db2.gz PSUGPUWHYVFATP-ZDUSSCGKSA-N 0 0 325.453 1.986 10 0 EDAERN COC(=O)[C@@](C)(CNC(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000189687712 442993530 /nfs/dbraw/zinc/99/35/30/442993530.db2.gz NZMNGAVEDWZAKF-SFHVURJKSA-N 0 0 344.415 1.622 10 0 EDAERN CC[C@@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000251533539 443014991 /nfs/dbraw/zinc/01/49/91/443014991.db2.gz ALMLFKVJFFKHTN-RISCZKNCSA-N 0 0 346.383 1.987 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc2nncn2c1 ZINC000195489632 443025072 /nfs/dbraw/zinc/02/50/72/443025072.db2.gz BKVKRWFSRNXISF-CYBMUJFWSA-N 0 0 342.380 1.378 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1nnc2n1CCCC2)NC(=O)NC1CC1 ZINC000195510676 443025595 /nfs/dbraw/zinc/02/55/95/443025595.db2.gz DOLBVRBEAQKHQL-CYBMUJFWSA-N 0 0 346.435 1.130 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000189935095 443032184 /nfs/dbraw/zinc/03/21/84/443032184.db2.gz XFSGZFDPXGGTNR-RHSMWYFYSA-N 0 0 346.427 1.195 10 0 EDAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1cnn(CC(F)(F)F)c1 ZINC000184905063 443095091 /nfs/dbraw/zinc/09/50/91/443095091.db2.gz ZJCUZVOTULFIKI-MWLCHTKSSA-N 0 0 341.355 1.275 10 0 EDAERN COc1ccc(CN(C[C@@H](C)O)C(=O)CC(OC)OC)c(OC)c1 ZINC000221797342 443073310 /nfs/dbraw/zinc/07/33/10/443073310.db2.gz HJXAERSLZSVXGL-GFCCVEGCSA-N 0 0 341.404 1.422 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CCCCOC)C1 ZINC000184762639 443073535 /nfs/dbraw/zinc/07/35/35/443073535.db2.gz GFEVDCXRFJWCHK-CQSZACIVSA-N 0 0 329.466 1.839 10 0 EDAERN COCCCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000184761148 443073719 /nfs/dbraw/zinc/07/37/19/443073719.db2.gz LKEVIQPASIWYNC-CQSZACIVSA-N 0 0 342.465 1.134 10 0 EDAERN CCOc1cc(Cl)ccc1CNC(=O)N1CC(NC(C)=O)C1 ZINC000190287975 443081381 /nfs/dbraw/zinc/08/13/81/443081381.db2.gz RDKSQEVTBRXCPD-UHFFFAOYSA-N 0 0 325.796 1.769 10 0 EDAERN CCOC(=O)Cn1ncc2c1nc(Cl)nc2-c1cnc(N)nc1 ZINC000222910960 443082941 /nfs/dbraw/zinc/08/29/41/443082941.db2.gz HCAXJGGHPVMTKK-UHFFFAOYSA-N 0 0 333.739 1.082 10 0 EDAERN O=C(NCc1ncon1)c1csc(I)c1 ZINC000231812804 443136274 /nfs/dbraw/zinc/13/62/74/443136274.db2.gz IMKRYWOPQMUXTL-UHFFFAOYSA-N 0 0 335.126 1.666 10 0 EDAERN COCCN1CCN(C(=O)/C=C\c2ccc(OC)c(OC)c2)C[C@H]1C ZINC000255505829 443100879 /nfs/dbraw/zinc/10/08/79/443100879.db2.gz CWTDCTFLBUSJTP-DDJMYBDESA-N 0 0 348.443 1.896 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccnn1C(C)(C)C)CC2 ZINC000190443837 443109884 /nfs/dbraw/zinc/10/98/84/443109884.db2.gz VBKJCIBIXBTUQU-NSHDSACASA-N 0 0 331.424 1.929 10 0 EDAERN O=C(NOC[C@@H]1CCOC1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000190444044 443110126 /nfs/dbraw/zinc/11/01/26/443110126.db2.gz BYRBVHLLPRWEPC-ZIAGYGMSSA-N 0 0 349.435 1.819 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](COC)c2ccccc2)CC1 ZINC000185048722 443125827 /nfs/dbraw/zinc/12/58/27/443125827.db2.gz RMRMMWANCFMNSG-IAGOWNOFSA-N 0 0 335.448 1.472 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)N2CCCc3ccccc32)n1 ZINC000185067706 443128968 /nfs/dbraw/zinc/12/89/68/443128968.db2.gz WRWSYQZAFVFYCX-INIZCTEOSA-N 0 0 342.399 1.731 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)NCc2ccccc2C)n1 ZINC000185068020 443129166 /nfs/dbraw/zinc/12/91/66/443129166.db2.gz CXNBLZHPLIHKKM-OAHLLOKOSA-N 0 0 330.388 1.376 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2csc(-c3ccc(C)o3)n2)C1 ZINC000185230171 443165603 /nfs/dbraw/zinc/16/56/03/443165603.db2.gz HRCKQGRNQMBLNQ-UHFFFAOYSA-N 0 0 335.385 1.299 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000185259635 443172068 /nfs/dbraw/zinc/17/20/68/443172068.db2.gz BVIADVLKCRHZEM-UHFFFAOYSA-N 0 0 345.168 1.175 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC1CC(OCC)C1 ZINC000190741471 443174704 /nfs/dbraw/zinc/17/47/04/443174704.db2.gz YTRVYYSHLPMDAQ-YMAMQOFZSA-N 0 0 346.493 1.512 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)NCc3ccccc3C)CCO2)cn1 ZINC000190809745 443188078 /nfs/dbraw/zinc/18/80/78/443188078.db2.gz JEBDNBFRHMARMC-SFHVURJKSA-N 0 0 342.443 1.901 10 0 EDAERN Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N2CCOCC2)C1 ZINC000190624442 443150890 /nfs/dbraw/zinc/15/08/90/443150890.db2.gz DHVVZNCQWUQRPC-AWEZNQCLSA-N 0 0 338.477 1.657 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1CCN([C@@H](C(=O)[O-])c2cccnc2)[C@H]([NH3+])C1 ZINC000257351538 443157013 /nfs/dbraw/zinc/15/70/13/443157013.db2.gz FRUKOEANPSDICA-KWCYVHTRSA-N 0 0 335.404 1.546 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)N3CCc4c3cccc4F)C2)cn1 ZINC000185662873 443234869 /nfs/dbraw/zinc/23/48/69/443234869.db2.gz QUGCNDWGRJCTGW-GFCCVEGCSA-N 0 0 342.374 1.464 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N2CCN(C3CC3)CC2)C12CCOCC2 ZINC000185664515 443235422 /nfs/dbraw/zinc/23/54/22/443235422.db2.gz FZYAGSJSJIQNAZ-CVEARBPZSA-N 0 0 337.464 1.450 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000185694421 443239596 /nfs/dbraw/zinc/23/95/96/443239596.db2.gz BZCJQIGTHUPQIA-UHFFFAOYSA-N 0 0 331.416 1.166 10 0 EDAERN FC(F)(F)Cn1nnnc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000190904786 443206573 /nfs/dbraw/zinc/20/65/73/443206573.db2.gz NNOFIHWLLGOODQ-LLVKDONJSA-N 0 0 341.341 1.564 10 0 EDAERN Cn1nc(C(=O)N2CCO[C@H](c3nccs3)C2)cc1OC(F)F ZINC000185517799 443213042 /nfs/dbraw/zinc/21/30/42/443213042.db2.gz CEJUTMFQYSWREC-VIFPVBQESA-N 0 0 344.343 1.692 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)nnn2C ZINC000245837277 443251335 /nfs/dbraw/zinc/25/13/35/443251335.db2.gz WREXDEQHOJMDLX-WPGHFRTFSA-N 0 0 342.399 1.915 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(CO)c2)C12CCOCC2 ZINC000185907945 443280885 /nfs/dbraw/zinc/28/08/85/443280885.db2.gz YKZZYTGMRIYVCT-IAGOWNOFSA-N 0 0 348.443 1.952 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000191380246 443286419 /nfs/dbraw/zinc/28/64/19/443286419.db2.gz ACMQLIVGKHRXNG-MROQNXINSA-N 0 0 330.400 1.611 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1nc2ccccc2n1C1CC1)C(C)C ZINC000185820627 443264179 /nfs/dbraw/zinc/26/41/79/443264179.db2.gz NDNUSYLWUNZCTR-MRXNPFEDSA-N 0 0 343.431 1.941 10 0 EDAERN CCN(CCNC(=O)N1CCCNC(=O)[C@@H]1C)c1ccccc1C ZINC000191249411 443266072 /nfs/dbraw/zinc/26/60/72/443266072.db2.gz FMFVHAOOWZKKHO-HNNXBMFYSA-N 0 0 332.448 1.741 10 0 EDAERN CC(C)OC[C@@H](O)Cn1nc([C@H]2OCC[C@H]2C)n(C(C)C)c1=O ZINC000328645653 444412299 /nfs/dbraw/zinc/41/22/99/444412299.db2.gz SFKRUSXGPGFNDD-RDBSUJKOSA-N 0 0 327.425 1.509 10 0 EDAERN CCc1cc(C)c(C(=O)N2CC(N3CCn4c(C)nnc4C3)C2)o1 ZINC000328628045 444401878 /nfs/dbraw/zinc/40/18/78/444401878.db2.gz GVGXFDPHDITRBY-UHFFFAOYSA-N 0 0 329.404 1.391 10 0 EDAERN C[C@@H]1CN(C)C[C@H](c2nc(-c3cccc(-n4cccn4)n3)no2)O1 ZINC000527545494 448262549 /nfs/dbraw/zinc/26/25/49/448262549.db2.gz VLZUFGHHXBMJLF-DGCLKSJQSA-N 0 0 326.360 1.709 10 0 EDAERN CN(C)C(=O)c1ccc(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)nc1 ZINC000583617693 448445233 /nfs/dbraw/zinc/44/52/33/448445233.db2.gz FYLQLTDWWJYSGY-PBHICJAKSA-N 0 0 339.399 1.562 10 0 EDAERN Cc1ccccc1CN(C)C(=O)CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618019 448447464 /nfs/dbraw/zinc/44/74/64/448447464.db2.gz VBGWMJKCFYZMLX-SFHVURJKSA-N 0 0 343.431 1.055 10 0 EDAERN CN(C)[C@@H](C(=O)N1CCO[C@H](c2nncn2C)C1)c1ccccc1 ZINC000583621760 448453655 /nfs/dbraw/zinc/45/36/55/448453655.db2.gz KFCHPRDEHCYYOE-LSDHHAIUSA-N 0 0 329.404 1.018 10 0 EDAERN Cc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1Br ZINC000528561970 448588681 /nfs/dbraw/zinc/58/86/81/448588681.db2.gz LGPYJZFSRXWEEC-UHFFFAOYSA-N 0 0 334.235 1.807 10 0 EDAERN CCc1nnc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)n1C ZINC000548009079 448964215 /nfs/dbraw/zinc/96/42/15/448964215.db2.gz MZBFXBUBOQEKTH-INIZCTEOSA-N 0 0 348.476 1.380 10 0 EDAERN O=C(COc1ccc(Br)cc1Cl)N[C@@H]1CCNC1=O ZINC000616970768 449413493 /nfs/dbraw/zinc/41/34/93/449413493.db2.gz GSDVQAUXLLHONP-SECBINFHSA-N 0 0 347.596 1.486 10 0 EDAERN Cc1cc(Br)cc(C(=O)NC[C@@H]2CC(=O)N(C)C2)c1 ZINC000619001360 450371833 /nfs/dbraw/zinc/37/18/33/450371833.db2.gz WLUZQJVMKQCYMM-JTQLQIEISA-N 0 0 325.206 1.966 10 0 EDAERN CCn1cc(O[C@@H]2CN(Cc3nc4ccccc4n3C)C[C@H]2O)cn1 ZINC000625618282 450453209 /nfs/dbraw/zinc/45/32/09/450453209.db2.gz WDLJKZFYFSQIIB-IAGOWNOFSA-N 0 0 341.415 1.414 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616602398 450454462 /nfs/dbraw/zinc/45/44/62/450454462.db2.gz JHBBKHYJTWGVPO-GOSISDBHSA-N 0 0 347.436 1.984 10 0 EDAERN CCOC(=O)c1cccc([C@@H]2CCCCN(S(N)(=O)=O)C2)c1 ZINC000616630615 450456025 /nfs/dbraw/zinc/45/60/25/450456025.db2.gz OKDXHQCDGPOEDZ-CQSZACIVSA-N 0 0 326.418 1.636 10 0 EDAERN CC(=O)Nc1ccc([C@@H]2Cc3ccccc3N(S(N)(=O)=O)C2)cc1 ZINC000616667935 450458594 /nfs/dbraw/zinc/45/85/94/450458594.db2.gz FNYNWHMRJIGYQO-OAHLLOKOSA-N 0 0 345.424 1.995 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1noc2ccccc21 ZINC000619321203 450459346 /nfs/dbraw/zinc/45/93/46/450459346.db2.gz YTXFUSVXWVOHPK-YVEFUNNKSA-N 0 0 340.383 1.998 10 0 EDAERN CC(=O)Nc1cccc([C@H]2c3ccccc3CCN2S(N)(=O)=O)c1 ZINC000616679614 450459429 /nfs/dbraw/zinc/45/94/29/450459429.db2.gz FVHKMPUAUMVFFC-KRWDZBQOSA-N 0 0 345.424 1.796 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2cccc3ccnnc32)Nc2ccccc21 ZINC000616692938 450461281 /nfs/dbraw/zinc/46/12/81/450461281.db2.gz XNTKADJHTLPXNJ-CQSZACIVSA-N 0 0 341.396 1.807 10 0 EDAERN CCc1cncc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(CC)c3)C2)c1 ZINC000628248917 451194887 /nfs/dbraw/zinc/19/48/87/451194887.db2.gz ICHACOHRVVTJEK-HZPDHXFCSA-N 0 0 330.388 1.125 10 0 EDAERN O=C(CCOc1cccc(Br)c1)N[C@H]1CCOC[C@@H]1O ZINC000629220082 451601076 /nfs/dbraw/zinc/60/10/76/451601076.db2.gz KTTHJNSSUCMUHL-STQMWFEESA-N 0 0 344.205 1.484 10 0 EDAERN CCC1(c2ccccc2)CN(C(=O)CN2CCCC[C@@H](O)C2=O)C1 ZINC000644498570 451814503 /nfs/dbraw/zinc/81/45/03/451814503.db2.gz MIGWQKMHOLBZRJ-MRXNPFEDSA-N 0 0 330.428 1.550 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc(C)c(Br)cn1 ZINC000664269581 452951411 /nfs/dbraw/zinc/95/14/11/452951411.db2.gz QIZSSEGDNDHKOY-VHSXEESVSA-N 0 0 335.223 1.376 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(CN3CCCC3)on2)C1 ZINC000644121212 453058932 /nfs/dbraw/zinc/05/89/32/453058932.db2.gz BIJJTYZLYMFZHO-DOMZBBRYSA-N 0 0 345.403 1.596 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1c[nH]nc1-c1ccccc1F ZINC000644451126 453474823 /nfs/dbraw/zinc/47/48/23/453474823.db2.gz DIIKGUZONGCRQM-CQSZACIVSA-N 0 0 346.362 1.528 10 0 EDAERN C[C@@H](C(=O)N1CCOCC12CCCC2)N1C(=O)c2ccccc2C1=O ZINC000677813341 487173881 /nfs/dbraw/zinc/17/38/81/487173881.db2.gz YKMPZKGUGPXUCM-ZDUSSCGKSA-N 0 0 342.395 1.843 10 0 EDAERN COc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc(C)n1 ZINC000583619586 486278961 /nfs/dbraw/zinc/27/89/61/486278961.db2.gz YCSHUNYJLNAUBA-PBHICJAKSA-N 0 0 340.383 1.495 10 0 EDAERN NC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccccc1 ZINC000196056327 486353502 /nfs/dbraw/zinc/35/35/02/486353502.db2.gz LGFDWKQEKKSVFH-UHFFFAOYSA-N 0 0 340.379 1.837 10 0 EDAERN CN(C)c1ncc(CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1C ZINC000671496256 486626425 /nfs/dbraw/zinc/62/64/25/486626425.db2.gz LDNGPPXNCCJAOW-CABCVRRESA-N 0 0 346.435 1.004 10 0 EDAERN C[C@H](C(=O)N(C)c1ncccc1F)N1C(=O)c2ccccc2C1=O ZINC000131374962 491212649 /nfs/dbraw/zinc/21/26/49/491212649.db2.gz UGFXIYJIMGQKOS-SNVBAGLBSA-N 0 0 327.315 1.868 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnc(C2CC2)nc1 ZINC000134932039 491226265 /nfs/dbraw/zinc/22/62/65/491226265.db2.gz IKEVZKLNOIQDSY-LBPRGKRZSA-N 0 0 343.391 1.749 10 0 EDAERN COc1cc(C)c(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)c(C)c1 ZINC000074863414 491015399 /nfs/dbraw/zinc/01/53/99/491015399.db2.gz MYYJCOVOGYAJQE-GFCCVEGCSA-N 0 0 326.418 1.069 10 0 EDAERN O[C@@H](COc1c(Cl)nc(Cl)nc1N1CCOCC1)C1CC1 ZINC000216727816 491019477 /nfs/dbraw/zinc/01/94/77/491019477.db2.gz YKPWZSLHHGZLRF-VIFPVBQESA-N 0 0 334.203 1.770 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn(-c2ccccn2)c1C ZINC000081579135 491179492 /nfs/dbraw/zinc/17/94/92/491179492.db2.gz SKNRBCQPZOCJNU-CQSZACIVSA-N 0 0 337.387 1.741 10 0 EDAERN O=C(Nc1cnn(Cc2ccccn2)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000081634984 491180226 /nfs/dbraw/zinc/18/02/26/491180226.db2.gz FFANASWUGSFJBQ-CZUORRHYSA-N 0 0 329.404 1.999 10 0 EDAERN C[C@H]1CN(CC(=O)NCCc2cnn(-c3ccccc3)c2)CCS1 ZINC000171693918 533912420 /nfs/dbraw/zinc/91/24/20/533912420.db2.gz PAHDGFQHFLUOHO-HNNXBMFYSA-N 0 0 344.484 1.968 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(F)c(C(N)=S)c1)[C@H]1CCOC1 ZINC000166235059 533966271 /nfs/dbraw/zinc/96/62/71/533966271.db2.gz JMKFCBMBSMFJGP-IUCAKERBSA-N 0 0 332.422 1.163 10 0 EDAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)COCc1ccccc1 ZINC000190408241 534087922 /nfs/dbraw/zinc/08/79/22/534087922.db2.gz GMGJIOLZZFTZTA-CQSZACIVSA-N 0 0 345.443 1.759 10 0 EDAERN C[C@H](CNS(=O)(=O)c1cccc(Br)c1)[S@@](C)=O ZINC000156099507 534120150 /nfs/dbraw/zinc/12/01/50/534120150.db2.gz ACPICKPPCYLELF-BCTVWOGZSA-N 0 0 340.264 1.494 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000183090218 534154601 /nfs/dbraw/zinc/15/46/01/534154601.db2.gz FHUAMOREUUKQAU-ZDUSSCGKSA-N 0 0 343.383 1.045 10 0 EDAERN O=C(Nc1cccc(Cl)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177653084 534344961 /nfs/dbraw/zinc/34/49/61/534344961.db2.gz CITPMMPHKMZRJL-AWEZNQCLSA-N 0 0 348.790 1.403 10 0 EDAERN O=C(NCCNC(=O)c1ccccc1F)NC[C@H]1CCCC[C@H]1O ZINC000153957233 534353571 /nfs/dbraw/zinc/35/35/71/534353571.db2.gz OCRGDZIVASDVKE-IUODEOHRSA-N 0 0 337.395 1.406 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CCc3cnn(C)c3C)C2)no1 ZINC000129230912 534413027 /nfs/dbraw/zinc/41/30/27/534413027.db2.gz AADSSAOLBLQCPQ-CQSZACIVSA-N 0 0 331.420 1.834 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccnc2C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000179514298 534432166 /nfs/dbraw/zinc/43/21/66/534432166.db2.gz JBEOSYFPXVLKRF-YPMHNXCESA-N 0 0 343.349 1.893 10 0 EDAERN Cc1noc2ncc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)cc12 ZINC000173827163 534488820 /nfs/dbraw/zinc/48/88/20/534488820.db2.gz RNYHBGJPSKOLQE-XHDPSFHLSA-N 0 0 330.388 1.324 10 0 EDAERN O=C(NCCn1ccnc1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000132269054 534519182 /nfs/dbraw/zinc/51/91/82/534519182.db2.gz XXWLKJCJDKTEEB-DOMZBBRYSA-N 0 0 336.342 1.679 10 0 EDAERN O=C([O-])c1cc(Br)cc(NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000166650704 534541004 /nfs/dbraw/zinc/54/10/04/534541004.db2.gz PLAFLQGJFPSCMN-LLVKDONJSA-N 0 0 343.177 1.464 10 0 EDAERN CN(CC1CCOCC1)C(=O)NCCN1CCc2ccccc2C1=O ZINC000188653920 522661927 /nfs/dbraw/zinc/66/19/27/522661927.db2.gz GONYMDYQYVRQTB-UHFFFAOYSA-N 0 0 345.443 1.753 10 0 EDAERN O=C(c1c[nH]nc1-c1ccsc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000186825820 534652567 /nfs/dbraw/zinc/65/25/67/534652567.db2.gz BCYLNVBXGKKXEF-CYBMUJFWSA-N 0 0 343.412 1.876 10 0 EDAERN O=C(c1ccccc1-n1ccnn1)N1CCC(Nc2cccnn2)CC1 ZINC000182642988 534747072 /nfs/dbraw/zinc/74/70/72/534747072.db2.gz BJLFOFFHNHBCQJ-UHFFFAOYSA-N 0 0 349.398 1.774 10 0 EDAERN O=C1NC(=O)C2(CC2)C(=O)N1c1ccc(Br)cc1F ZINC000163721830 534785266 /nfs/dbraw/zinc/78/52/66/534785266.db2.gz ZJPDRCMCTRCQKS-UHFFFAOYSA-N 0 0 327.109 1.951 10 0 EDAERN CC(=O)c1ccc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246289226 534860688 /nfs/dbraw/zinc/86/06/88/534860688.db2.gz AXRAVAGNBRARQX-RDTXWAMCSA-N 0 0 345.443 1.480 10 0 EDAERN O=c1[nH]cc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)cc1Cl ZINC000167312005 534889955 /nfs/dbraw/zinc/88/99/55/534889955.db2.gz ZYFPXDJLVJWRQT-UHFFFAOYSA-N 0 0 342.726 1.911 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000190525690 526706958 /nfs/dbraw/zinc/70/69/58/526706958.db2.gz BBLNFPGVMGGLSL-UHFFFAOYSA-N 0 0 329.169 1.478 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000155449589 526846535 /nfs/dbraw/zinc/84/65/35/526846535.db2.gz LUHIGCLQJRVEPK-GFCCVEGCSA-N 0 0 341.770 1.545 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)c1 ZINC000171615803 527063800 /nfs/dbraw/zinc/06/38/00/527063800.db2.gz MHSBUEHAWQQZTK-INIZCTEOSA-N 0 0 342.403 1.512 10 0 EDAERN CC(C)CCOc1ccc([C@H](C)NC(=O)Cn2ncn(C)c2=O)cc1 ZINC000181293470 527782947 /nfs/dbraw/zinc/78/29/47/527782947.db2.gz ODMFWTNZQNEPJV-AWEZNQCLSA-N 0 0 346.431 1.884 10 0 EDAERN CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1nnc(CC)n1C ZINC000171931883 528020369 /nfs/dbraw/zinc/02/03/69/528020369.db2.gz HZPKZKVZXNROEQ-HNNXBMFYSA-N 0 0 330.432 1.984 10 0 EDAERN CC(C)C[NH2+]C[C@@H]1CCCN1c1nc[n-]c(=O)c1Br ZINC000165347905 528064639 /nfs/dbraw/zinc/06/46/39/528064639.db2.gz XISXOHHGLORZAW-JTQLQIEISA-N 0 0 329.242 1.747 10 0 EDAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000189868690 528135338 /nfs/dbraw/zinc/13/53/38/528135338.db2.gz JJZCQCLLGVVPBU-KKUMJFAQSA-N 0 0 329.400 1.660 10 0 EDAERN CCCN1CCN(S(=O)(=O)c2cc(C)c(Cl)c(N)c2)CC1 ZINC000168699816 528249532 /nfs/dbraw/zinc/24/95/32/528249532.db2.gz AGCHHJYPQCUTDO-UHFFFAOYSA-N 0 0 331.869 1.947 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000173983699 528576344 /nfs/dbraw/zinc/57/63/44/528576344.db2.gz TYYNJEDSRYEVJP-CYBMUJFWSA-N 0 0 336.417 1.703 10 0 EDAERN CCCCOCCCNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000156014509 528584223 /nfs/dbraw/zinc/58/42/23/528584223.db2.gz JLLPPEWMYKUYDX-ZDUSSCGKSA-N 0 0 339.440 1.765 10 0 EDAERN CC(C)Cn1c(-c2cc3c(s2)CCC3)nnc1S(N)(=O)=O ZINC000158448633 528689179 /nfs/dbraw/zinc/68/91/79/528689179.db2.gz JWDRJTNCJQOWAE-UHFFFAOYSA-N 0 0 326.447 1.799 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)c1ncccc1F ZINC000130797756 528808862 /nfs/dbraw/zinc/80/88/62/528808862.db2.gz GBHCFBXXVCZVOA-LBPRGKRZSA-N 0 0 329.397 1.388 10 0 EDAERN CCCC[C@@H](C[NH3+])Nc1nc[n-]c(=O)c1I ZINC000166116862 528825218 /nfs/dbraw/zinc/82/52/18/528825218.db2.gz VZPQHNIPOMNJLC-ZETCQYMHSA-N 0 0 336.177 1.304 10 0 EDAERN CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)CCO)cc1)N(C)C ZINC000183936016 528848882 /nfs/dbraw/zinc/84/88/82/528848882.db2.gz HBIBNZUPLZEWFY-AWEZNQCLSA-N 0 0 328.434 1.121 10 0 EDAERN CC(C)N(CC1CC[NH2+]CC1)c1nc[n-]c(=O)c1Br ZINC000164447942 528876542 /nfs/dbraw/zinc/87/65/42/528876542.db2.gz FUGFIRXTIHLQCA-UHFFFAOYSA-N 0 0 329.242 1.747 10 0 EDAERN CCCCc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)CCC)n[nH]1 ZINC000153411413 529017790 /nfs/dbraw/zinc/01/77/90/529017790.db2.gz NWSBJINOYJGEMV-CYBMUJFWSA-N 0 0 342.465 1.895 10 0 EDAERN CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1S(N)(=O)=O ZINC000147263525 529176050 /nfs/dbraw/zinc/17/60/50/529176050.db2.gz NMGITKNTKCHWCP-IUCAKERBSA-N 0 0 334.825 1.669 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000183510517 529218553 /nfs/dbraw/zinc/21/85/53/529218553.db2.gz LAAJAMQEEDNOQC-SUMWQHHRSA-N 0 0 345.443 1.474 10 0 EDAERN CC(C)Oc1cc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)ccn1 ZINC000151841584 534956593 /nfs/dbraw/zinc/95/65/93/534956593.db2.gz QEZHVJYVFVRXNT-INIZCTEOSA-N 0 0 348.447 1.485 10 0 EDAERN CCCNC(=O)CN(C)C(=O)CN1CCC(c2cnn(CC)c2)CC1 ZINC000195499706 535053435 /nfs/dbraw/zinc/05/34/35/535053435.db2.gz XHMCXBYKTMMVPV-UHFFFAOYSA-N 0 0 349.479 1.067 10 0 EDAERN CCOc1ncccc1CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083699823 535597221 /nfs/dbraw/zinc/59/72/21/535597221.db2.gz XKERHYGUJCYEFM-ZDUSSCGKSA-N 0 0 330.392 1.715 10 0 EDAERN CC[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000247815197 535849786 /nfs/dbraw/zinc/84/97/86/535849786.db2.gz VYEHIEJMPPJVBY-DOTOQJQBSA-N 0 0 335.448 1.011 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCOC1CCCC1)CC2 ZINC000114948873 536163495 /nfs/dbraw/zinc/16/34/95/536163495.db2.gz BVSAWOSKTBSWAM-CYBMUJFWSA-N 0 0 335.452 1.804 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1ccccc1OC)CC2 ZINC000114914039 536164096 /nfs/dbraw/zinc/16/40/96/536164096.db2.gz HFVMKUUHVYINBO-CQSZACIVSA-N 0 0 343.431 1.706 10 0 EDAERN CNC(=O)[C@H](NC(=O)CCC(=O)c1ccc(F)cc1F)C(C)C ZINC000178705629 536378424 /nfs/dbraw/zinc/37/84/24/536378424.db2.gz OEHKRVOCHHEACQ-OAHLLOKOSA-N 0 0 326.343 1.815 10 0 EDAERN CN(C[C@@H]1CCCN(c2cnc3c(n2)CCCC3)C1)S(C)(=O)=O ZINC000333472184 536424254 /nfs/dbraw/zinc/42/42/54/536424254.db2.gz DLUXQTNGSBIYTJ-ZDUSSCGKSA-N 0 0 338.477 1.463 10 0 EDAERN COC[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000245624249 536699328 /nfs/dbraw/zinc/69/93/28/536699328.db2.gz XTINHBNLJJFWRK-SWLSCSKDSA-N 0 0 343.374 1.282 10 0 EDAERN COc1ncccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000247912299 537154651 /nfs/dbraw/zinc/15/46/51/537154651.db2.gz YRKGJVWIBAFCMN-NSHDSACASA-N 0 0 334.397 1.985 10 0 EDAERN NC(=O)[C@H]1CCN1c1nc(Br)c(Br)s1 ZINC000757146107 578634561 /nfs/dbraw/zinc/63/45/61/578634561.db2.gz PJIAZGJCRDVBGJ-GSVOUGTGSA-N 0 0 341.028 1.732 10 0 EDAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC(F)(F)C2)CCC(=O)N1C ZINC000888076019 590929457 /nfs/dbraw/zinc/92/94/57/590929457.db2.gz OMOOAQOLDNJXGZ-GWCFXTLKSA-N 0 0 326.347 1.197 10 0 EDAERN CCn1nc(C)c(CN[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)n1 ZINC000888076071 590929486 /nfs/dbraw/zinc/92/94/86/590929486.db2.gz VAZAUNNAMOQRTN-DOTOQJQBSA-N 0 0 330.436 1.833 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)N2CCC(n3ccnc3)CC2)C1=O ZINC000888076317 590930495 /nfs/dbraw/zinc/93/04/95/590930495.db2.gz YSIDLTBIGVZMDR-OAHLLOKOSA-N 0 0 334.420 1.074 10 0 EDAERN CNC(=O)C[C@]1(O)CCCN(C(=O)/C=C(\C)c2ccccc2C)C1 ZINC000888076856 590933159 /nfs/dbraw/zinc/93/31/59/590933159.db2.gz NOKZZDOWUZDBKV-FERCGXDMSA-N 0 0 330.428 1.888 10 0 EDAERN Cc1noc(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095590 591026748 /nfs/dbraw/zinc/02/67/48/591026748.db2.gz SHKUJNYIDPPLJS-VBQJREDUSA-N 0 0 335.404 1.166 10 0 EDAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ccncc2)n(C)c1=O ZINC000888098195 591028085 /nfs/dbraw/zinc/02/80/85/591028085.db2.gz BHHVLMBIWAVPBN-ZIAGYGMSSA-N 0 0 329.404 1.045 10 0 EDAERN CC(C)c1nnc2n1CCN(C(=O)c1ccc3c(n1)CCCN3)C2 ZINC000894356143 591288493 /nfs/dbraw/zinc/28/84/93/591288493.db2.gz MKHBPPPWZONZPK-UHFFFAOYSA-N 0 0 326.404 1.811 10 0 EDAERN CN1CCC[C@H]1c1cc(C(=O)N2CCO[C@H](c3nccs3)C2)n[nH]1 ZINC000896285408 591409569 /nfs/dbraw/zinc/40/95/69/591409569.db2.gz CBUCLPWFBRLORS-KBPBESRZSA-N 0 0 347.444 1.847 10 0 EDAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccc3c(n2)CCCN3)n1 ZINC000899029657 591646539 /nfs/dbraw/zinc/64/65/39/591646539.db2.gz OHKVEQNXGDHKSD-BMIGLBTASA-N 0 0 343.387 1.733 10 0 EDAERN COC(=O)c1ccnc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1 ZINC000899089524 591681049 /nfs/dbraw/zinc/68/10/49/591681049.db2.gz OYODNTMYYOPJDI-CYBMUJFWSA-N 0 0 341.371 1.424 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000102305650 594916598 /nfs/dbraw/zinc/91/65/98/594916598.db2.gz NTGSOQWSERCFOC-SDDRHHMPSA-N 0 0 330.450 1.980 10 0 EDAERN Cc1ncsc1COC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000121570509 595504716 /nfs/dbraw/zinc/50/47/16/595504716.db2.gz WRTIGYJDYQGCED-DOMZBBRYSA-N 0 0 348.428 1.838 10 0 EDAERN COc1cncc(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)n1 ZINC000858008764 595684778 /nfs/dbraw/zinc/68/47/78/595684778.db2.gz YLKHOGIKYJDCCO-SMDDNHRTSA-N 0 0 331.376 1.116 10 0 EDAERN CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000113298067 595690676 /nfs/dbraw/zinc/69/06/76/595690676.db2.gz GGQMKMNOMXWJQZ-OCHBPSSRSA-N 0 0 331.459 1.742 10 0 EDAERN Cn1cc([C@@H]2CCN(CN3C(=O)NC(C4CC4)(C4CC4)C3=O)C2)cn1 ZINC000116258666 595862877 /nfs/dbraw/zinc/86/28/77/595862877.db2.gz RUQVVFPRRGFZHP-GFCCVEGCSA-N 0 0 343.431 1.278 10 0 EDAERN O=C(NCc1ccc(-n2ccnc2)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112746481 596220340 /nfs/dbraw/zinc/22/03/40/596220340.db2.gz IKFXNXNAGXSJDL-AWEZNQCLSA-N 0 0 337.387 1.278 10 0 EDAERN Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)ccn1 ZINC000864836575 596378471 /nfs/dbraw/zinc/37/84/71/596378471.db2.gz LLGPPQHXQDNRLT-CYBMUJFWSA-N 0 0 327.388 1.581 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)[C@H](O)c2ccccc2Cl)n1 ZINC000120949783 596819135 /nfs/dbraw/zinc/81/91/35/596819135.db2.gz ZAJUOBOITFEKBX-CHWSQXEVSA-N 0 0 337.763 1.665 10 0 EDAERN CCOc1ccc(OCCNC(=O)Cn2ccc([C@@H](C)O)n2)cc1 ZINC000133711417 597993754 /nfs/dbraw/zinc/99/37/54/597993754.db2.gz NDSKXUVDNBFXSC-CYBMUJFWSA-N 0 0 333.388 1.530 10 0 EDAERN CN(C(=O)NCCc1ccnn1C)[C@H]1CCCN(c2cccnn2)C1 ZINC000185006145 698798065 /nfs/dbraw/zinc/79/80/65/698798065.db2.gz HSTAHJNVQVPAPC-HNNXBMFYSA-N 0 0 343.435 1.063 10 0 EDAERN CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(N)cc1Br ZINC000050368244 214054444 /nfs/dbraw/zinc/05/44/44/214054444.db2.gz USDARPBNFQCWHB-GHMZBOCLSA-N 0 0 349.250 1.877 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N[C@H]1CCCNC1=O ZINC000050398022 214055574 /nfs/dbraw/zinc/05/55/74/214055574.db2.gz QTSJLFIBOHTWGT-JTQLQIEISA-N 0 0 328.210 1.669 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCNC1=O ZINC000050397245 214055889 /nfs/dbraw/zinc/05/58/89/214055889.db2.gz CMJZEJBLZCYWEI-SECBINFHSA-N 0 0 338.216 1.133 10 0 EDAERN COC(=O)[C@H](NS(=O)(=O)c1cc(N)cs1)c1ccccc1 ZINC000050506802 214057841 /nfs/dbraw/zinc/05/78/41/214057841.db2.gz UGXAXQXAKGSCHK-GFCCVEGCSA-N 0 0 326.399 1.523 10 0 EDAERN CCC[C@@H](C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050658839 214064724 /nfs/dbraw/zinc/06/47/24/214064724.db2.gz SKUIKMRCFAPVPF-SNVBAGLBSA-N 0 0 334.463 1.481 10 0 EDAERN CCNc1ccc(Cl)c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)n1 ZINC000050787015 214070382 /nfs/dbraw/zinc/07/03/82/214070382.db2.gz WJYAROXVRDIMQT-ZDUSSCGKSA-N 0 0 331.825 1.474 10 0 EDAERN CCNc1ncc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1Cl ZINC000050787028 214070965 /nfs/dbraw/zinc/07/09/65/214070965.db2.gz CMKHVXPLOWGUAS-CYBMUJFWSA-N 0 0 331.825 1.474 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCNC(C)=O ZINC000062509247 214721321 /nfs/dbraw/zinc/72/13/21/214721321.db2.gz VNVDGRNTYYFKKX-DGCLKSJQSA-N 0 0 329.441 1.568 10 0 EDAERN Cn1c2cc(Br)c([C@@H](O)[C@H]3CCOC3)cc2n(C)c1=O ZINC000051952123 214109426 /nfs/dbraw/zinc/10/94/26/214109426.db2.gz VTVRLHNVSYXWCY-SDBXPKJASA-N 0 0 341.205 1.709 10 0 EDAERN CC(=O)c1cc(Br)ccc1O[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000052067868 214115317 /nfs/dbraw/zinc/11/53/17/214115317.db2.gz GTWWXATVBYEXRI-ZYHUDNBSSA-N 0 0 349.202 1.188 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000052626216 214137464 /nfs/dbraw/zinc/13/74/64/214137464.db2.gz NSDZIECCHJMHKN-CQSZACIVSA-N 0 0 333.432 1.618 10 0 EDAERN Nc1ncc(Br)cc1C(=O)N1CCC[C@H]1CCCO ZINC000052783232 214144920 /nfs/dbraw/zinc/14/49/20/214144920.db2.gz HGTUGAJTRWWKMM-JTQLQIEISA-N 0 0 328.210 1.803 10 0 EDAERN Ic1ccccc1-c1nnc2n1CCNC2 ZINC000053709680 214194904 /nfs/dbraw/zinc/19/49/04/214194904.db2.gz QIANOJRPXPGJMA-UHFFFAOYSA-N 0 0 326.141 1.653 10 0 EDAERN Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1-n1cncn1 ZINC000173744149 231021034 /nfs/dbraw/zinc/02/10/34/231021034.db2.gz ROFASPMZYCCAFJ-GOEBONIOSA-N 0 0 325.416 1.884 10 0 EDAERN Cc1cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)ccc1N(C)C ZINC000173796301 231036560 /nfs/dbraw/zinc/03/65/60/231036560.db2.gz ADHRXZBPEYQQCE-INIZCTEOSA-N 0 0 332.448 1.999 10 0 EDAERN Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c(C)c1 ZINC000174007627 231098016 /nfs/dbraw/zinc/09/80/16/231098016.db2.gz IUIJVAHGBQSGFC-INIZCTEOSA-N 0 0 345.443 1.483 10 0 EDAERN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1 ZINC000055794999 214341959 /nfs/dbraw/zinc/34/19/59/214341959.db2.gz YWSSIOKDPGUSLP-MRXNPFEDSA-N 0 0 327.384 1.714 10 0 EDAERN O=C(Cc1csc(-c2ncccn2)n1)N1CCO[C@H]2CCC[C@@H]21 ZINC000056198230 214365020 /nfs/dbraw/zinc/36/50/20/214365020.db2.gz LVZKKHVREAZVDP-STQMWFEESA-N 0 0 330.413 1.923 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc4ccccn4c3)CC2)no1 ZINC000174774612 231305942 /nfs/dbraw/zinc/30/59/42/231305942.db2.gz HQQAMDJQMIBOEO-UHFFFAOYSA-N 0 0 339.399 1.979 10 0 EDAERN CCc1cc(Cn2ncc(I)cc2=O)n(C)n1 ZINC000158595374 529528446 /nfs/dbraw/zinc/52/84/46/529528446.db2.gz HSRNKOXEUTZSIF-UHFFFAOYSA-N 0 0 344.156 1.192 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000187390567 529606149 /nfs/dbraw/zinc/60/61/49/529606149.db2.gz ABWSUKSNVLQSOX-GOEBONIOSA-N 0 0 338.473 1.590 10 0 EDAERN Cn1ccnc1C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000098013129 219068611 /nfs/dbraw/zinc/06/86/11/219068611.db2.gz NLOSXUPNURSFJQ-UHFFFAOYSA-N 0 0 338.161 1.841 10 0 EDAERN O=C(CCc1nc2c(s1)CCCC2)N[C@@H]1CCS(=O)(=O)C1 ZINC000049678420 214026158 /nfs/dbraw/zinc/02/61/58/214026158.db2.gz VCUVPFWCWGBBBD-SNVBAGLBSA-N 0 0 328.459 1.258 10 0 EDAERN COc1ccc(OC)c(NC(=O)CCc2nn3cnnc3s2)c1 ZINC000049662702 214025713 /nfs/dbraw/zinc/02/57/13/214025713.db2.gz ZCQXJUJRGKPVPX-UHFFFAOYSA-N 0 0 333.373 1.774 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000171652341 529698211 /nfs/dbraw/zinc/69/82/11/529698211.db2.gz DGKOWPMZBUYDOO-AWEZNQCLSA-N 0 0 330.432 1.411 10 0 EDAERN CCc1nnc(CN(C)C[C@H](c2cccs2)N2CCOCC2)[nH]1 ZINC000181691263 529735247 /nfs/dbraw/zinc/73/52/47/529735247.db2.gz FCJUWGMFNYODSB-CYBMUJFWSA-N 0 0 335.477 1.934 10 0 EDAERN COc1cc(CNS(=O)(=O)c2c(N)cccc2Cl)ccn1 ZINC000062058308 214694982 /nfs/dbraw/zinc/69/49/82/214694982.db2.gz MWAPMZFCOJKSOG-UHFFFAOYSA-N 0 0 327.793 1.804 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccn(C3CCCC3)n1)CC2 ZINC000155009032 529751554 /nfs/dbraw/zinc/75/15/54/529751554.db2.gz FBCZDEWYZCUVHG-GFCCVEGCSA-N 0 0 328.420 1.897 10 0 EDAERN CN(C(=O)/C=C/c1cc2ccccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000062089244 214697919 /nfs/dbraw/zinc/69/79/19/214697919.db2.gz XXBVVPHICBGIFJ-PSKZRQQASA-N 0 0 346.408 1.187 10 0 EDAERN Cc1ccc(N2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1 ZINC000049379021 214003858 /nfs/dbraw/zinc/00/38/58/214003858.db2.gz SGHATHCJWZPZGO-HUUCEWRRSA-N 0 0 331.416 1.873 10 0 EDAERN CN1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3O)cc2C1 ZINC000158485507 529830859 /nfs/dbraw/zinc/83/08/59/529830859.db2.gz WSSSEMSRLWCIPR-LRDDRELGSA-N 0 0 331.416 1.238 10 0 EDAERN CN(CC1(O)CCOCC1)C(=O)c1cc(Br)ccc1N ZINC000161882583 529858195 /nfs/dbraw/zinc/85/81/95/529858195.db2.gz HXBUEWOIRSPBFK-UHFFFAOYSA-N 0 0 343.221 1.645 10 0 EDAERN CN(CC1(O)CCOCC1)C(=O)c1cc(Br)cnc1N ZINC000162315528 529858314 /nfs/dbraw/zinc/85/83/14/529858314.db2.gz PSHAPKGSJBNWKF-UHFFFAOYSA-N 0 0 344.209 1.040 10 0 EDAERN C[C@@H]1CN(Cc2cnc(N)s2)CC[C@@H]1NS(=O)(=O)C1CC1 ZINC000725271328 539402490 /nfs/dbraw/zinc/40/24/90/539402490.db2.gz CKKLWXXYYKUMGC-SKDRFNHKSA-N 0 0 330.479 1.018 10 0 EDAERN CN(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000121961280 282355631 /nfs/dbraw/zinc/35/56/31/282355631.db2.gz VUDVJRNMTXJZMZ-GFCCVEGCSA-N 0 0 326.418 1.296 10 0 EDAERN COc1ccc(Br)cc1-c1nc(N)nc(C)c1C(N)=O ZINC000066135818 215015521 /nfs/dbraw/zinc/01/55/21/215015521.db2.gz MTOFSJLRTZYBCY-UHFFFAOYSA-N 0 0 337.177 1.904 10 0 EDAERN CC(C)Oc1ccccc1C(=O)N[C@H](CO)[C@@H](O)c1ccc(N)cc1 ZINC000066142727 215016375 /nfs/dbraw/zinc/01/63/75/215016375.db2.gz NIEXOSSWFDKEAG-AEFFLSMTSA-N 0 0 344.411 1.880 10 0 EDAERN COC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000066265833 215029438 /nfs/dbraw/zinc/02/94/38/215029438.db2.gz QYLSQMGFEGHLFN-INIZCTEOSA-N 0 0 331.416 1.562 10 0 EDAERN CCOC(=O)CS[C@H]1CC(=O)N(c2nnc(CC)s2)C1=O ZINC000102309987 219193602 /nfs/dbraw/zinc/19/36/02/219193602.db2.gz ZVNNOXJGHGDSHN-ZETCQYMHSA-N 0 0 329.403 1.029 10 0 EDAERN CN(C)C(=O)CCCN1C(=O)C(=O)c2cccc(Br)c21 ZINC000043453650 213582606 /nfs/dbraw/zinc/58/26/06/213582606.db2.gz GYNVDFXFNJDAIL-UHFFFAOYSA-N 0 0 339.189 1.847 10 0 EDAERN COCCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000067490884 215154021 /nfs/dbraw/zinc/15/40/21/215154021.db2.gz KNVSZGSKBPHZMX-LLVKDONJSA-N 0 0 326.368 1.950 10 0 EDAERN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246270099 539611171 /nfs/dbraw/zinc/61/11/71/539611171.db2.gz RXXYKMKLJFYXMU-IRXDYDNUSA-N 0 0 348.491 1.657 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)COC)cc1 ZINC000103356596 219293535 /nfs/dbraw/zinc/29/35/35/219293535.db2.gz KRYPUANZXFZOOR-GFCCVEGCSA-N 0 0 328.434 1.938 10 0 EDAERN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)COC)cc1 ZINC000103356595 219293901 /nfs/dbraw/zinc/29/39/01/219293901.db2.gz KRYPUANZXFZOOR-LBPRGKRZSA-N 0 0 328.434 1.938 10 0 EDAERN CC(=O)N1CCN(C(=O)[C@@H](C)Nc2ncnc3ccccc32)CC1 ZINC000041502559 213450932 /nfs/dbraw/zinc/45/09/32/213450932.db2.gz LCXKZOFRRKIRDK-GFCCVEGCSA-N 0 0 327.388 1.121 10 0 EDAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC12CC(CO)(C1)CO2 ZINC000669379461 539741489 /nfs/dbraw/zinc/74/14/89/539741489.db2.gz CMCLVONXWLJJSR-NVPAJSRCSA-N 0 0 326.437 1.469 10 0 EDAERN CS(=O)(=O)c1ncc(Cl)c(C(=O)N2CCc3ccccc32)n1 ZINC000040803072 213387741 /nfs/dbraw/zinc/38/77/41/213387741.db2.gz INUOTWQAGWRRBL-UHFFFAOYSA-N 0 0 337.788 1.736 10 0 EDAERN CC(C)(NS(=O)(=O)c1ccc2nc(Cl)ccc2c1)C(N)=O ZINC000040691715 213371012 /nfs/dbraw/zinc/37/10/12/213371012.db2.gz JWMAWDCVHGUBAF-UHFFFAOYSA-N 0 0 327.793 1.430 10 0 EDAERN Nc1ccc(Cl)cc1-c1nnnn1[C@H]1CCCS(=O)(=O)C1 ZINC000069146045 215364473 /nfs/dbraw/zinc/36/44/73/215364473.db2.gz UEMIVCQFXKPUED-VIFPVBQESA-N 0 0 327.797 1.325 10 0 EDAERN CC(=O)[C@@H]1CCCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000104411395 219385247 /nfs/dbraw/zinc/38/52/47/219385247.db2.gz AJXUGIDNXKYZTD-SNVBAGLBSA-N 0 0 347.234 1.834 10 0 EDAERN Cc1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000040634683 213362328 /nfs/dbraw/zinc/36/23/28/213362328.db2.gz OJZNNLHWKATNPM-BETUJISGSA-N 0 0 340.445 1.495 10 0 EDAERN COCCn1cc(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000181351461 234160505 /nfs/dbraw/zinc/16/05/05/234160505.db2.gz CWJJAWORGGINDC-GFCCVEGCSA-N 0 0 347.423 1.381 10 0 EDAERN COC1(CNC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)CCC1 ZINC000181578964 234239901 /nfs/dbraw/zinc/23/99/01/234239901.db2.gz VXLRUSNRQDHEAF-CYBMUJFWSA-N 0 0 349.435 1.092 10 0 EDAERN CN(c1cccnn1)C1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000105806761 219534519 /nfs/dbraw/zinc/53/45/19/219534519.db2.gz LEYGSOPGXPJDDI-QGZVFWFLSA-N 0 0 343.406 1.743 10 0 EDAERN CC(C)n1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)n1 ZINC000038508735 213212774 /nfs/dbraw/zinc/21/27/74/213212774.db2.gz WIYZIRFFCOBFKH-UHFFFAOYSA-N 0 0 347.444 1.865 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)Nc1cnn(Cc2ccccn2)c1 ZINC000175921813 540099160 /nfs/dbraw/zinc/09/91/60/540099160.db2.gz JCXRMOWRDYVYNC-CZUORRHYSA-N 0 0 329.404 1.999 10 0 EDAERN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nc1 ZINC000184282304 540142349 /nfs/dbraw/zinc/14/23/49/540142349.db2.gz DUZGYSXBXNQPLD-NSHDSACASA-N 0 0 334.401 1.920 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2ncc(Br)s2)C[C@H]1C ZINC000189442856 540165134 /nfs/dbraw/zinc/16/51/34/540165134.db2.gz CFVUSSYCJWZGPM-RKDXNWHRSA-N 0 0 348.266 1.433 10 0 EDAERN Cn1nc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1OC(F)F ZINC000184427504 235395376 /nfs/dbraw/zinc/39/53/76/235395376.db2.gz QWWUXUAGVOPOKZ-SNVBAGLBSA-N 0 0 325.319 1.523 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2ccccc2C)C[C@@H]1C ZINC000105834954 219554513 /nfs/dbraw/zinc/55/45/13/219554513.db2.gz PXCOJHUZICJHTQ-KRWDZBQOSA-N 0 0 333.476 1.654 10 0 EDAERN C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)[C@H]1CCCO1 ZINC000027864850 138096628 /nfs/dbraw/zinc/09/66/28/138096628.db2.gz OOKIOEPGJXDACQ-XHDPSFHLSA-N 0 0 338.429 1.425 10 0 EDAERN C[C@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)N1CCOCC1 ZINC000047639820 138122632 /nfs/dbraw/zinc/12/26/32/138122632.db2.gz PXBWJVOFRQTVRG-KGLIPLIRSA-N 0 0 334.420 1.034 10 0 EDAERN C[C@@H]1CN(C(=O)CCCCC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000072595587 138208154 /nfs/dbraw/zinc/20/81/54/138208154.db2.gz FMMRUPXMUIRTOO-YHUYYLMFSA-N 0 0 340.464 1.818 10 0 EDAERN Cn1nc(C(=O)N2CCO[C@@H](c3nccs3)C2)cc1OC(F)F ZINC000185517820 235686571 /nfs/dbraw/zinc/68/65/71/235686571.db2.gz CEJUTMFQYSWREC-SECBINFHSA-N 0 0 344.343 1.692 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[S@](=O)C(C)(C)C ZINC000087106826 138271392 /nfs/dbraw/zinc/27/13/92/138271392.db2.gz HWWQCOSOBQELPF-BSNNYGBQSA-N 0 0 341.481 1.522 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000091190231 138282549 /nfs/dbraw/zinc/28/25/49/138282549.db2.gz HJKNCPPIFVNBBK-JTQLQIEISA-N 0 0 349.337 1.788 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000105283308 138301301 /nfs/dbraw/zinc/30/13/01/138301301.db2.gz YVXXDHVGQWRXSI-ZCFIWIBFSA-N 0 0 325.316 1.009 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000093049999 138291400 /nfs/dbraw/zinc/29/14/00/138291400.db2.gz TVAPUAXUFCDCSF-SECBINFHSA-N 0 0 345.852 1.611 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(c3ncccc3F)C2)c1 ZINC000120562452 138316069 /nfs/dbraw/zinc/31/60/69/138316069.db2.gz UFEJBIJTDUSCQD-ZDUSSCGKSA-N 0 0 332.383 1.304 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC000105847319 138302142 /nfs/dbraw/zinc/30/21/42/138302142.db2.gz ZIFOLVFGHQWBFH-OAHLLOKOSA-N 0 0 348.447 1.339 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000105851856 138302151 /nfs/dbraw/zinc/30/21/51/138302151.db2.gz DEWHDWHKXBZVDT-CQSZACIVSA-N 0 0 343.431 1.842 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000109219342 138305737 /nfs/dbraw/zinc/30/57/37/138305737.db2.gz RYQCQIFGFOEHQF-RYUDHWBXSA-N 0 0 349.774 1.858 10 0 EDAERN CCS(=O)(=O)NCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000109327035 138305827 /nfs/dbraw/zinc/30/58/27/138305827.db2.gz RVNAHKPSIVTHKY-CYBMUJFWSA-N 0 0 341.481 1.081 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cccc4c3OCO4)CC2)no1 ZINC000109923560 138306691 /nfs/dbraw/zinc/30/66/91/138306691.db2.gz ZEHCMTHRRLVFMI-UHFFFAOYSA-N 0 0 344.371 1.455 10 0 EDAERN COc1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)n1 ZINC000124235142 138325144 /nfs/dbraw/zinc/32/51/44/138325144.db2.gz GOFYRHVKQNHXCO-DOMZBBRYSA-N 0 0 334.420 1.583 10 0 EDAERN NC(=O)[C@@H](NC[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000037942970 213174930 /nfs/dbraw/zinc/17/49/30/213174930.db2.gz OOZNJDGGKYGGSM-CABZTGNLSA-N 0 0 331.185 1.883 10 0 EDAERN O=C(NC[C@H]1CSCCS1)N1CCC[C@@H](n2cncn2)C1 ZINC000132508274 138377773 /nfs/dbraw/zinc/37/77/73/138377773.db2.gz KKVFQGFLNHIWKG-NEPJUHHUSA-N 0 0 327.479 1.473 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(-c2cccnc2)[nH]n1 ZINC000132064468 138370690 /nfs/dbraw/zinc/37/06/90/138370690.db2.gz LJZMCUZWZNBHJW-JTQLQIEISA-N 0 0 325.328 1.822 10 0 EDAERN CSCc1noc(CCC(=O)N2CC[C@H](Oc3cccnc3)C2)n1 ZINC000132234381 138373379 /nfs/dbraw/zinc/37/33/79/138373379.db2.gz VMOBEQZPLUWCFV-ZDUSSCGKSA-N 0 0 348.428 1.940 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(F)c(F)cc3F)CCO2)[nH]1 ZINC000132875478 138384595 /nfs/dbraw/zinc/38/45/95/138384595.db2.gz NFHOUEVIXOZWGL-LBPRGKRZSA-N 0 0 326.278 1.744 10 0 EDAERN C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1nnc2n1CCCC2 ZINC000135361125 138423449 /nfs/dbraw/zinc/42/34/49/138423449.db2.gz PWQHDCAXPFQTLU-LLVKDONJSA-N 0 0 341.415 1.673 10 0 EDAERN C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2N)C[C@H](C)S1 ZINC000070382875 215687577 /nfs/dbraw/zinc/68/75/77/215687577.db2.gz HTLUUBVUIQMDQA-PHIMTYICSA-N 0 0 329.491 1.849 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2C(N)=S)CCO1 ZINC000070395197 215688827 /nfs/dbraw/zinc/68/88/27/215688827.db2.gz HYECPHVYBBLXAY-VIFPVBQESA-N 0 0 332.422 1.259 10 0 EDAERN Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccnc2N(C)C)no1 ZINC000036197359 213077491 /nfs/dbraw/zinc/07/74/91/213077491.db2.gz UCLROUARNUFORT-ZDUSSCGKSA-N 0 0 343.387 1.687 10 0 EDAERN CCN(CC)S(=O)(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000036176022 213074590 /nfs/dbraw/zinc/07/45/90/213074590.db2.gz YDNXTVTYDVQZOZ-UHFFFAOYSA-N 0 0 348.490 1.151 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000036107543 213068908 /nfs/dbraw/zinc/06/89/08/213068908.db2.gz PMVXPCFKJFRLCP-HNNXBMFYSA-N 0 0 338.429 1.007 10 0 EDAERN Cn1cc(CNC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cn1 ZINC000187440183 236211253 /nfs/dbraw/zinc/21/12/53/236211253.db2.gz NSKLZCREVOEMGD-NWDGAFQWSA-N 0 0 326.372 1.384 10 0 EDAERN CCOc1ccc([C@@H](CNS(=O)(=O)CC)N2CCOCC2)cc1 ZINC000036091691 213061277 /nfs/dbraw/zinc/06/12/77/213061277.db2.gz BHJYCBAKBBUBAY-MRXNPFEDSA-N 0 0 342.461 1.398 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)Nc3ncccn3)n2)n1 ZINC000070875974 215720850 /nfs/dbraw/zinc/72/08/50/215720850.db2.gz WPTRWMLAJRKVFQ-GFCCVEGCSA-N 0 0 339.359 1.036 10 0 EDAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCC[C@H](Cn2cncn2)C1 ZINC000187869477 236322208 /nfs/dbraw/zinc/32/22/08/236322208.db2.gz QAPQSTZSGZBKCD-XJKSGUPXSA-N 0 0 340.387 1.105 10 0 EDAERN O=C(NC1CN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000187983488 236370168 /nfs/dbraw/zinc/37/01/68/236370168.db2.gz RGHCLSNAHWAIBB-HNNXBMFYSA-N 0 0 342.361 1.819 10 0 EDAERN Cn1ncc2c1ncn(Cc1c(N)cccc1Br)c2=O ZINC000071194948 215742605 /nfs/dbraw/zinc/74/26/05/215742605.db2.gz FHFOCSPAGULYNL-UHFFFAOYSA-N 0 0 334.177 1.523 10 0 EDAERN O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127790125 138617672 /nfs/dbraw/zinc/61/76/72/138617672.db2.gz XKVNNNMRXJIIKA-CQSZACIVSA-N 0 0 337.387 1.411 10 0 EDAERN COC(=O)CC1=CC(=O)N(CC(=O)NC(C)(C)C)c2ccccc2N1 ZINC000035480665 213032175 /nfs/dbraw/zinc/03/21/75/213032175.db2.gz QTMIGKVIMUTSHD-UHFFFAOYSA-N 0 0 345.399 1.807 10 0 EDAERN C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000035387108 213024701 /nfs/dbraw/zinc/02/47/01/213024701.db2.gz YYRBUDIGUCVPQQ-QMMMGPOBSA-N 0 0 336.207 1.286 10 0 EDAERN O=C1NCCN[C@H]1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000071261895 215748003 /nfs/dbraw/zinc/74/80/03/215748003.db2.gz YTDZPAPUKYCMGF-JTQLQIEISA-N 0 0 337.177 1.130 10 0 EDAERN C[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000071319750 215760115 /nfs/dbraw/zinc/76/01/15/215760115.db2.gz SIHMURQVYHPVDQ-VIFPVBQESA-N 0 0 331.825 1.702 10 0 EDAERN COC(=O)CCN(C(=O)c1cc2ccccc2oc1=O)C(C)(C)CO ZINC000071638075 215791472 /nfs/dbraw/zinc/79/14/72/215791472.db2.gz XGBOEYZBMYFYCA-UHFFFAOYSA-N 0 0 347.367 1.569 10 0 EDAERN COc1cc(C)c(C=Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1C ZINC000033984829 212973250 /nfs/dbraw/zinc/97/32/50/212973250.db2.gz HAJJYCHOZCRMRG-VOTSOKGWSA-N 0 0 340.383 1.756 10 0 EDAERN O=C(CCc1nc(-c2ccsc2)no1)N[C@@H]1CCCn2ncnc21 ZINC000177523678 138730606 /nfs/dbraw/zinc/73/06/06/138730606.db2.gz JPBJAHKTHMGTIX-LLVKDONJSA-N 0 0 344.400 1.974 10 0 EDAERN O=C(c1ccnc(-n2cncn2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178309085 138740236 /nfs/dbraw/zinc/74/02/36/138740236.db2.gz DTPREOVQJWOQSF-OAHLLOKOSA-N 0 0 336.355 1.351 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](O)CC12CCC2 ZINC000333543252 283442815 /nfs/dbraw/zinc/44/28/15/283442815.db2.gz IGPKSYFSAVCPBP-KBPBESRZSA-N 0 0 344.477 1.097 10 0 EDAERN Cc1ccccc1CNC(=O)[C@H](C)[S@](=O)Cc1nnnn1C(C)C ZINC000176571893 237341784 /nfs/dbraw/zinc/34/17/84/237341784.db2.gz BRVALWLZUDAYLZ-RKNYENMMSA-N 0 0 349.460 1.516 10 0 EDAERN COC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1ccc(F)cc1F)C(C)C ZINC000114552310 291201156 /nfs/dbraw/zinc/20/11/56/291201156.db2.gz KSJNOXFYGMLSNT-CJNGLKHVSA-N 0 0 344.358 1.669 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)C ZINC000184642994 138796689 /nfs/dbraw/zinc/79/66/89/138796689.db2.gz GKNSWXDBFPVHTK-CYBMUJFWSA-N 0 0 330.392 1.374 10 0 EDAERN CCN(CC)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1 ZINC000028284214 212613050 /nfs/dbraw/zinc/61/30/50/212613050.db2.gz PVZWWYALFBHQRZ-UHFFFAOYSA-N 0 0 330.388 1.412 10 0 EDAERN O=c1c2nnc3ncnn3c2ccn1CCc1c[nH]c2ccc(F)cc12 ZINC000072466648 216247141 /nfs/dbraw/zinc/24/71/41/216247141.db2.gz XLOMNXVSJSKKQR-UHFFFAOYSA-N 0 0 349.329 1.697 10 0 EDAERN CCSc1nc2n(n1)CC(C(=O)N1CCN(CC)CC1)=C(C)N2 ZINC000072466300 216247389 /nfs/dbraw/zinc/24/73/89/216247389.db2.gz SCIAQDZXJBYUAQ-UHFFFAOYSA-N 0 0 336.465 1.254 10 0 EDAERN COC(=O)c1cnn2c1ncc1c(=O)n(-c3ccccc3O)ccc12 ZINC000072465972 216247902 /nfs/dbraw/zinc/24/79/02/216247902.db2.gz PYIPZLONXMXVTN-UHFFFAOYSA-N 0 0 336.307 1.526 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)[C@H](C)OCc3ccccc3)CCO2)[nH]1 ZINC000185965537 138811573 /nfs/dbraw/zinc/81/15/73/138811573.db2.gz UWFLQQQLZJBONZ-WFASDCNBSA-N 0 0 330.388 1.618 10 0 EDAERN CCn1ncc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3CO)cc21 ZINC000130620018 223165207 /nfs/dbraw/zinc/16/52/07/223165207.db2.gz UTRKOIDVWGMXST-ZFWWWQNUSA-N 0 0 344.415 1.662 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000130682058 223169059 /nfs/dbraw/zinc/16/90/59/223169059.db2.gz MTNVQLVPHHVFRA-CQSZACIVSA-N 0 0 328.376 1.352 10 0 EDAERN O=C(Nc1cccc2cnccc21)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130721058 223171719 /nfs/dbraw/zinc/17/17/19/223171719.db2.gz OEGFKDCPCYWJGX-UKRRQHHQSA-N 0 0 327.384 1.841 10 0 EDAERN COc1cc(Br)c([C@@H](NCC2CC2)C(N)=O)cc1OC ZINC000038000860 213186310 /nfs/dbraw/zinc/18/63/10/213186310.db2.gz DOGMUXQUCWYZSK-CYBMUJFWSA-N 0 0 343.221 1.992 10 0 EDAERN Cc1c(C(=O)N2CC(NC(=O)C3CCC3)C2)oc2c1C(=O)CCC2 ZINC000188558124 138844741 /nfs/dbraw/zinc/84/47/41/138844741.db2.gz UKNMSKFFNDTQGI-UHFFFAOYSA-N 0 0 330.384 1.848 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)C1 ZINC000188567844 138845044 /nfs/dbraw/zinc/84/50/44/138845044.db2.gz ZACBQSAFVSQREU-UHFFFAOYSA-N 0 0 336.335 1.523 10 0 EDAERN O=C(CC1=CCCCC1)N1CCC(Cn2cc(CCO)nn2)CC1 ZINC000023619783 212386195 /nfs/dbraw/zinc/38/61/95/212386195.db2.gz FIWMNSDXYLMYNU-UHFFFAOYSA-N 0 0 332.448 1.942 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N(C)CC(F)(F)F)C1 ZINC000189345091 138868603 /nfs/dbraw/zinc/86/86/03/138868603.db2.gz PBHMYHQFSYLXAW-VHSXEESVSA-N 0 0 336.314 1.161 10 0 EDAERN O=C(c1noc2c1CCCC2)N1CCc2[nH]c(-c3cn[nH]c3)nc2C1 ZINC000215545316 241130996 /nfs/dbraw/zinc/13/09/96/241130996.db2.gz ZEKWWVLPHLQKCK-UHFFFAOYSA-N 0 0 338.371 1.865 10 0 EDAERN CC1(Cn2cc(C(=O)N[C@H]3CCCc4c(O)cccc43)nn2)COC1 ZINC000190292111 138888395 /nfs/dbraw/zinc/88/83/95/138888395.db2.gz GVPCAPQEPOFKMK-AWEZNQCLSA-N 0 0 342.399 1.828 10 0 EDAERN CCCCOc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)c(O)c1 ZINC000190407341 138890765 /nfs/dbraw/zinc/89/07/65/138890765.db2.gz WVVOFLOGIXAWMF-LBPRGKRZSA-N 0 0 330.388 1.907 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1Cc1nnnn1CC(F)(F)F ZINC000190926425 138900314 /nfs/dbraw/zinc/90/03/14/138900314.db2.gz XUKXGXQSHBPUEX-NSHDSACASA-N 0 0 329.330 1.405 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000076364677 216757013 /nfs/dbraw/zinc/75/70/13/216757013.db2.gz GLPAIKWKSRZTST-ZIAGYGMSSA-N 0 0 329.400 1.801 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCO1 ZINC000191081209 138904479 /nfs/dbraw/zinc/90/44/79/138904479.db2.gz OKZPWZDOANUFRJ-WPRPVWTQSA-N 0 0 331.294 1.723 10 0 EDAERN C[C@@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)CCS1(=O)=O ZINC000192277649 138941210 /nfs/dbraw/zinc/94/12/10/138941210.db2.gz HMZPJGFZDDGBIL-RUNBWSAHSA-N 0 0 329.443 1.496 10 0 EDAERN COc1cc(NC(=O)C(=O)NCCn2cc(C)cn2)ccc1Cl ZINC000192973901 138958202 /nfs/dbraw/zinc/95/82/02/138958202.db2.gz ATVFBDXXRKSXLU-UHFFFAOYSA-N 0 0 336.779 1.608 10 0 EDAERN CCc1nnc(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)n1C ZINC000195090475 139006684 /nfs/dbraw/zinc/00/66/84/139006684.db2.gz WNPUYWLBKHNZSE-AWEZNQCLSA-N 0 0 342.447 1.932 10 0 EDAERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000195232380 139010870 /nfs/dbraw/zinc/01/08/70/139010870.db2.gz JMRFVTNVPQYYCG-YESZJQIVSA-N 0 0 333.407 1.798 10 0 EDAERN CCCCOC[C@@H](O)C[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000195219328 139010416 /nfs/dbraw/zinc/01/04/16/139010416.db2.gz LKKJFWGFMHSFRU-NSHDSACASA-N 0 0 325.434 1.594 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CCOCC(F)(F)F)CC2 ZINC000195275883 139012224 /nfs/dbraw/zinc/01/22/24/139012224.db2.gz WUTKXUHKVOVEEP-JTQLQIEISA-N 0 0 334.342 1.802 10 0 EDAERN CCc1csc([C@H]2CCCN(CC(=O)NCCC(=O)OC)C2)n1 ZINC000195379054 139015645 /nfs/dbraw/zinc/01/56/45/139015645.db2.gz IJKDUFJHPCANDP-LBPRGKRZSA-N 0 0 339.461 1.564 10 0 EDAERN COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C(C)C)c(F)cc1F ZINC000048698315 213957696 /nfs/dbraw/zinc/95/76/96/213957696.db2.gz MGTLCJYBLPKMGF-QMMMGPOBSA-N 0 0 328.315 1.851 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000195429346 139016392 /nfs/dbraw/zinc/01/63/92/139016392.db2.gz ZHVRXLZQBIATLW-NSHDSACASA-N 0 0 337.405 1.196 10 0 EDAERN COC(=O)CS(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000049572031 214020378 /nfs/dbraw/zinc/02/03/78/214020378.db2.gz PVBRFBLGVOREDZ-MRVPVSSYSA-N 0 0 336.207 1.603 10 0 EDAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195502023 139018308 /nfs/dbraw/zinc/01/83/08/139018308.db2.gz GWKCBHDHLCIFQF-CYBMUJFWSA-N 0 0 335.452 1.470 10 0 EDAERN CCOC(=O)[C@H](C)NC[C@H](O)COc1cccc(Br)c1 ZINC000049373570 214002804 /nfs/dbraw/zinc/00/28/04/214002804.db2.gz IYJMBKVULGDWGX-JQWIXIFHSA-N 0 0 346.221 1.730 10 0 EDAERN CC(C)N(C(=O)CN1CC(c2nc(-c3ncccn3)no2)C1)C(C)C ZINC000049483159 214012566 /nfs/dbraw/zinc/01/25/66/214012566.db2.gz VPENATBOVFCPHR-UHFFFAOYSA-N 0 0 344.419 1.571 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000195519834 139019497 /nfs/dbraw/zinc/01/94/97/139019497.db2.gz NNQMKAGHFDRLCD-CHWSQXEVSA-N 0 0 327.450 1.607 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000195519777 139019504 /nfs/dbraw/zinc/01/95/04/139019504.db2.gz HELGNXCWOVNWDT-QWHCGFSZSA-N 0 0 327.450 1.513 10 0 EDAERN Cc1nnc2sc(CNS(=O)(=O)c3ccccc3Cl)nn12 ZINC000049721915 214029362 /nfs/dbraw/zinc/02/93/62/214029362.db2.gz HNVDOHOVXQKTMY-UHFFFAOYSA-N 0 0 343.821 1.626 10 0 EDAERN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H]1C[C@@H]1C ZINC000221902136 139021179 /nfs/dbraw/zinc/02/11/79/139021179.db2.gz OCSOOVMNVQKNOF-AEGPPILISA-N 0 0 336.457 1.828 10 0 EDAERN O=C(CN1CC[C@H](CCO)C1)Nc1ccc(Br)cn1 ZINC000227570422 139022562 /nfs/dbraw/zinc/02/25/62/139022562.db2.gz DTPBNAAZFJRIKY-SNVBAGLBSA-N 0 0 328.210 1.487 10 0 EDAERN O=C(CSc1ccncc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135300845 223566588 /nfs/dbraw/zinc/56/65/88/223566588.db2.gz SDXVHIOUPFXSLI-CYBMUJFWSA-N 0 0 329.429 1.749 10 0 EDAERN Cc1[nH]nc2ncc(C(=O)N3CCO[C@@H](c4nccs4)C3)cc12 ZINC000110877317 220073592 /nfs/dbraw/zinc/07/35/92/220073592.db2.gz BMGRUIRBCWEYPF-GFCCVEGCSA-N 0 0 329.385 1.937 10 0 EDAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCO[C@H](c2nccs2)C1 ZINC000110880483 220074946 /nfs/dbraw/zinc/07/49/46/220074946.db2.gz ZJKCQODOXGOGFG-KBPBESRZSA-N 0 0 344.392 1.825 10 0 EDAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCO[C@@H](c2nccs2)C1 ZINC000110885581 220075621 /nfs/dbraw/zinc/07/56/21/220075621.db2.gz AUYMETGKAXVUJZ-CYBMUJFWSA-N 0 0 344.396 1.386 10 0 EDAERN CCOC(=O)NCCC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000110944883 220082492 /nfs/dbraw/zinc/08/24/92/220082492.db2.gz JAIDILDSHQSFDH-UHFFFAOYSA-N 0 0 340.449 1.232 10 0 EDAERN CC(C)n1ccnc1CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000111233279 220120588 /nfs/dbraw/zinc/12/05/88/220120588.db2.gz UJJHDLAOHAUQLY-CABCVRRESA-N 0 0 341.477 1.632 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)N[C@H](C)c3nncn3C)CC2)s1 ZINC000111785882 220190177 /nfs/dbraw/zinc/19/01/77/220190177.db2.gz SUXSDLPGSIJPMM-LLVKDONJSA-N 0 0 349.464 1.168 10 0 EDAERN Nc1cccc2c1CCCN2C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000238046068 139067562 /nfs/dbraw/zinc/06/75/62/139067562.db2.gz PXGWPKABGVZHGY-BETUJISGSA-N 0 0 341.411 1.723 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccnc(F)c3)CC2)n1 ZINC000112035540 220232625 /nfs/dbraw/zinc/23/26/25/220232625.db2.gz INIFFSVDQACDOT-LLVKDONJSA-N 0 0 333.367 1.685 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H](C)O[C@@H](C)C2)ncn1 ZINC000245499708 139076924 /nfs/dbraw/zinc/07/69/24/139076924.db2.gz YRONRADKFGJMRV-MELADBBJSA-N 0 0 348.451 1.306 10 0 EDAERN Cc1cc2cccc(S(=O)(=O)N3CC[C@H](O)C3)c2nc1Cl ZINC000136833582 223666531 /nfs/dbraw/zinc/66/65/31/223666531.db2.gz HHCLENJEGIIXER-NSHDSACASA-N 0 0 326.805 1.952 10 0 EDAERN CN1C[C@H](NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CCC1=O ZINC000245684039 139082985 /nfs/dbraw/zinc/08/29/85/139082985.db2.gz GUBNBBLRWFSXMB-BRWVUGGUSA-N 0 0 345.443 1.905 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000245805035 139086464 /nfs/dbraw/zinc/08/64/64/139086464.db2.gz BSHIKHLVLKGZOW-SWLSCSKDSA-N 0 0 342.403 1.041 10 0 EDAERN CCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(N)=O ZINC000013997074 211667509 /nfs/dbraw/zinc/66/75/09/211667509.db2.gz GBCOUAPTSFHILE-UHFFFAOYSA-N 0 0 337.401 1.332 10 0 EDAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000246515504 139111668 /nfs/dbraw/zinc/11/16/68/139111668.db2.gz IPHWFKGTHWKPGW-GRYCIOLGSA-N 0 0 335.433 1.466 10 0 EDAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000246622048 139115544 /nfs/dbraw/zinc/11/55/44/139115544.db2.gz JZLXYUIGUBFALQ-OKZBNKHCSA-N 0 0 345.443 1.705 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NCc3ccc(C)cc3)CCO2)[nH]1 ZINC000246855746 139124480 /nfs/dbraw/zinc/12/44/80/139124480.db2.gz FGQQFVRJEXBWCI-XJKSGUPXSA-N 0 0 343.431 1.500 10 0 EDAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246985890 139129822 /nfs/dbraw/zinc/12/98/22/139129822.db2.gz KIOBIBXUJISSHK-QOKNQOGYSA-N 0 0 329.396 1.922 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CCO2)c1 ZINC000246991776 139129958 /nfs/dbraw/zinc/12/99/58/139129958.db2.gz PNXTZCALOWABHP-ZJIFWQFVSA-N 0 0 348.447 1.415 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3CCC[C@@H](C)C3)CC2)nn1 ZINC000247157737 139137847 /nfs/dbraw/zinc/13/78/47/139137847.db2.gz LZXXAQZZUINNDZ-OAHLLOKOSA-N 0 0 331.464 1.556 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000247204089 139140308 /nfs/dbraw/zinc/14/03/08/139140308.db2.gz PGBYYMFCPOXEJL-GVDBMIGSSA-N 0 0 325.497 1.819 10 0 EDAERN COCCN1CCN(C(=O)CSC[C@H]2CCCCO2)C[C@@H]1C ZINC000247221063 139141150 /nfs/dbraw/zinc/14/11/50/139141150.db2.gz VMFHTWPOODPTHZ-LSDHHAIUSA-N 0 0 330.494 1.468 10 0 EDAERN CCOCCN1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)C[C@H]1C ZINC000247232565 139141335 /nfs/dbraw/zinc/14/13/35/139141335.db2.gz RIXQVUQQLNQZKP-HZPDHXFCSA-N 0 0 337.508 1.819 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)N(C)[C@H](C)CC(C)C)CCO2)c1 ZINC000247232816 139141615 /nfs/dbraw/zinc/14/16/15/139141615.db2.gz RKFDKOHSONKFDN-IAGOWNOFSA-N 0 0 336.480 1.785 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H](C)[C@H]3CCCO3)C2=O)n(C)n1 ZINC000247490791 139150314 /nfs/dbraw/zinc/15/03/14/139150314.db2.gz VVQDGPXFNVSVDY-HZSPNIEDSA-N 0 0 349.435 1.091 10 0 EDAERN CO[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)c1cccc(Cl)c1 ZINC000247496094 139150595 /nfs/dbraw/zinc/15/05/95/139150595.db2.gz WPMDDFLWVBWOHS-HUUCEWRRSA-N 0 0 341.839 1.657 10 0 EDAERN CS(=O)(=O)Cc1nc(CN2CCO[C@H]3CCCC[C@H]32)cs1 ZINC000247524601 139151311 /nfs/dbraw/zinc/15/13/11/139151311.db2.gz NSKFXFRVICFACP-OLZOCXBDSA-N 0 0 330.475 1.831 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(N(C)C)nc1)N1C(=O)c2ccccc2C1=O ZINC000012351025 211354355 /nfs/dbraw/zinc/35/43/55/211354355.db2.gz YIVSRWPSNYMBIG-NSHDSACASA-N 0 0 338.367 1.771 10 0 EDAERN O=C(CCC1CCN(S(=O)(=O)CC(F)(F)F)CC1)NC1CC1 ZINC000011816605 211250680 /nfs/dbraw/zinc/25/06/80/211250680.db2.gz HPNOWRUBFDQAFW-UHFFFAOYSA-N 0 0 342.383 1.649 10 0 EDAERN CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000248659251 139170675 /nfs/dbraw/zinc/17/06/75/139170675.db2.gz CKFSKGYLJKOKTD-TZMCWYRMSA-N 0 0 326.824 1.632 10 0 EDAERN CC(C)(C)c1ccc(SCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091782231 218064932 /nfs/dbraw/zinc/06/49/32/218064932.db2.gz KCTQAPBBBNIWIR-AWEZNQCLSA-N 0 0 336.457 1.789 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000091781688 218065208 /nfs/dbraw/zinc/06/52/08/218065208.db2.gz YVPYKGJUVILKCB-ZDUSSCGKSA-N 0 0 349.774 1.250 10 0 EDAERN Cc1csc(-c2cccc(C(=O)N3CCOC[C@H]3C(N)=O)c2)n1 ZINC000091785276 218066229 /nfs/dbraw/zinc/06/62/29/218066229.db2.gz JFCMVKPFRQGYES-ZDUSSCGKSA-N 0 0 331.397 1.445 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000092421243 218140436 /nfs/dbraw/zinc/14/04/36/218140436.db2.gz TWEONPXIHKDOFL-KRWDZBQOSA-N 0 0 326.400 1.047 10 0 EDAERN COCCNC(=O)c1ccccc1NC(=S)NC(=O)C(C)(C)C ZINC000010123113 211150489 /nfs/dbraw/zinc/15/04/89/211150489.db2.gz IINGKAXSKRWXKW-UHFFFAOYSA-N 0 0 337.445 1.922 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)c2ccccc2OC)CCN1C[C@H](C)O ZINC000248905416 139180079 /nfs/dbraw/zinc/18/00/79/139180079.db2.gz YENQNFBLXMEVEO-UONOGXRCSA-N 0 0 334.416 1.182 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249300482 139190757 /nfs/dbraw/zinc/19/07/57/139190757.db2.gz RYNXAVTVTURXCI-CYBMUJFWSA-N 0 0 345.490 1.802 10 0 EDAERN O=C([O-])c1c2c(sc1S(=O)(=O)N1CCCCC1)C[NH2+]CC2 ZINC000067433007 304218176 /nfs/dbraw/zinc/21/81/76/304218176.db2.gz QOMIBGJUOJDLLH-UHFFFAOYSA-N 0 0 330.431 1.267 10 0 EDAERN COc1ccc(C[C@H]2COCC[C@H]2S(=O)(=O)NC2CC2)cc1 ZINC000095076280 218273530 /nfs/dbraw/zinc/27/35/30/218273530.db2.gz ZWUQMKOMOREVRC-XJKSGUPXSA-N 0 0 325.430 1.725 10 0 EDAERN CCOCCN1CCN(Cc2nc([C@H](C)OCC)no2)C[C@@H]1C ZINC000252463270 139204705 /nfs/dbraw/zinc/20/47/05/139204705.db2.gz WCLPOQAPBJNFSL-KBPBESRZSA-N 0 0 326.441 1.710 10 0 EDAERN COc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1Br ZINC000008907029 211016450 /nfs/dbraw/zinc/01/64/50/211016450.db2.gz BZGZZZVPLPGMOH-UHFFFAOYSA-N 0 0 340.133 1.087 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000253556698 139207142 /nfs/dbraw/zinc/20/71/42/139207142.db2.gz FAJDQIWCHOEUFC-AGIUHOORSA-N 0 0 333.388 1.745 10 0 EDAERN CN[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)c1cnn(C)c1 ZINC000262018071 139244202 /nfs/dbraw/zinc/24/42/02/139244202.db2.gz CPTDNAKDXBZMEX-MGPLVRAMSA-N 0 0 327.388 1.053 10 0 EDAERN COc1ccc(C(=O)N2C[C@H]3C[C@@H]2[C@@H](NS(C)(=O)=O)C3)c(C)c1 ZINC000096095787 218589488 /nfs/dbraw/zinc/58/94/88/218589488.db2.gz PZBIPSSTHFHOGD-BYCMXARLSA-N 0 0 338.429 1.156 10 0 EDAERN COc1cc(N)cc2sc(NC(=O)[C@@H](C)S(C)(=O)=O)nc21 ZINC000167828702 532952141 /nfs/dbraw/zinc/95/21/41/532952141.db2.gz QMGPCFHWABGHFW-ZCFIWIBFSA-N 0 0 329.403 1.259 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C[C@H]1C ZINC000175108996 532953940 /nfs/dbraw/zinc/95/39/40/532953940.db2.gz UEUGDNFXIPPRSR-CQSZACIVSA-N 0 0 348.447 1.700 10 0 EDAERN COC[C@H](C)C(=O)NC[C@@H](NC(=O)[C@@H](C)COC)c1ccc(C)o1 ZINC000179578983 532958650 /nfs/dbraw/zinc/95/86/50/532958650.db2.gz XWIWUZSGTFYSML-SGMGOOAPSA-N 0 0 340.420 1.427 10 0 EDAERN COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC(F)(F)CN1)N(C)C ZINC000263055753 139320063 /nfs/dbraw/zinc/32/00/63/139320063.db2.gz UYLHUAMNCOQEAZ-QWHCGFSZSA-N 0 0 327.375 1.411 10 0 EDAERN COCCNC(=O)CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000177972894 532999756 /nfs/dbraw/zinc/99/97/56/532999756.db2.gz BBQCMVWFIMFQRY-GFCCVEGCSA-N 0 0 347.337 1.222 10 0 EDAERN COc1ccc(OCCN(C)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177356507 533014442 /nfs/dbraw/zinc/01/44/42/533014442.db2.gz PQZGSJQJFUZRFJ-HNNXBMFYSA-N 0 0 345.403 1.842 10 0 EDAERN CC(C)c1nc2c([nH]c(=O)n2-c2ccc3c(c2)OCO3)c(C(N)=O)n1 ZINC000005143640 210398739 /nfs/dbraw/zinc/39/87/39/210398739.db2.gz KQGNOHCVKQKUAO-UHFFFAOYSA-N 0 0 341.327 1.060 10 0 EDAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112656517 220365501 /nfs/dbraw/zinc/36/55/01/220365501.db2.gz YNVNPBMHFRABPR-CHWSQXEVSA-N 0 0 349.435 1.499 10 0 EDAERN Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654836 220365509 /nfs/dbraw/zinc/36/55/09/220365509.db2.gz SLUUUDUKHRZVRA-LLVKDONJSA-N 0 0 327.344 1.508 10 0 EDAERN O=C(NCc1cnn(-c2ccccc2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112741722 220392095 /nfs/dbraw/zinc/39/20/95/220392095.db2.gz YYYBRPKSLLVXHL-CQSZACIVSA-N 0 0 337.387 1.278 10 0 EDAERN CC(=O)Nc1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112742212 220393226 /nfs/dbraw/zinc/39/32/26/220393226.db2.gz CTOLOSNMRGBCIR-AWEZNQCLSA-N 0 0 328.376 1.051 10 0 EDAERN CCO[C@H]1CCN(C(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)C[C@H]1C ZINC000263488977 139344737 /nfs/dbraw/zinc/34/47/37/139344737.db2.gz QKXQIEATRDNSMJ-URGYJCLVSA-N 0 0 341.452 1.380 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153847014 224167008 /nfs/dbraw/zinc/16/70/08/224167008.db2.gz DHJZPXQGZZOXAI-ZFWWWQNUSA-N 0 0 343.383 1.947 10 0 EDAERN Cn1nccc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000154092317 224201727 /nfs/dbraw/zinc/20/17/27/224201727.db2.gz ZAAYGVAROPCIBK-HUUCEWRRSA-N 0 0 342.399 1.473 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(OC)cc2O)C[C@H]1CC ZINC000116977462 221018542 /nfs/dbraw/zinc/01/85/42/221018542.db2.gz OLFQKENQOQIITB-CQSZACIVSA-N 0 0 336.432 1.974 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)C[C@H]1C ZINC000117369418 221058581 /nfs/dbraw/zinc/05/85/81/221058581.db2.gz UIMKGGGAVNRHCR-SNVBAGLBSA-N 0 0 338.882 1.743 10 0 EDAERN CCOCCN1CCN(C(=O)COc2ccccc2OC)C[C@H]1C ZINC000117282822 221043853 /nfs/dbraw/zinc/04/38/53/221043853.db2.gz YIFCTMORJSVHAT-OAHLLOKOSA-N 0 0 336.432 1.643 10 0 EDAERN COCCN1CCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)C[C@@H]1C ZINC000117289986 221045380 /nfs/dbraw/zinc/04/53/80/221045380.db2.gz FQUCHMPQAHUJQF-CVEARBPZSA-N 0 0 347.459 1.374 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000117368688 221057479 /nfs/dbraw/zinc/05/74/79/221057479.db2.gz BGMBEJSXLKYARY-ZDUSSCGKSA-N 0 0 330.425 1.557 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)ccc2F)C[C@H]1C ZINC000117522339 221074096 /nfs/dbraw/zinc/07/40/96/221074096.db2.gz XUMXNQYPOMXRDW-CYBMUJFWSA-N 0 0 337.395 1.252 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000117522477 221074147 /nfs/dbraw/zinc/07/41/47/221074147.db2.gz CIECCWCOMGIVGL-LLVKDONJSA-N 0 0 341.358 1.082 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](C)N(C)c2ccccc2)C[C@H]1C ZINC000117477827 221068008 /nfs/dbraw/zinc/06/80/08/221068008.db2.gz WMYKUTRLIADXLU-IAGOWNOFSA-N 0 0 348.491 1.873 10 0 EDAERN Cn1cc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccccc3)C2=O)cn1 ZINC000117930561 221101251 /nfs/dbraw/zinc/10/12/51/221101251.db2.gz HGSDOKVHQDSIDD-TUPIDYKKSA-N 0 0 346.412 1.116 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)c1 ZINC000117800721 221091040 /nfs/dbraw/zinc/09/10/40/221091040.db2.gz RMVIOQHFOGIFRA-GOEBONIOSA-N 0 0 330.388 1.281 10 0 EDAERN Cc1cnn(CCNC(=O)NCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000118064791 221110607 /nfs/dbraw/zinc/11/06/07/221110607.db2.gz TZORKSUIUOOAOZ-UHFFFAOYSA-N 0 0 335.795 1.783 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(Cc3cccnc3)CC2)c1 ZINC000118078715 221112916 /nfs/dbraw/zinc/11/29/16/221112916.db2.gz ISGCPROUALBKAD-UHFFFAOYSA-N 0 0 328.420 1.114 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115454 221121635 /nfs/dbraw/zinc/12/16/35/221121635.db2.gz GFSGDOUPCDAEAP-GFCCVEGCSA-N 0 0 325.796 1.034 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000118115559 221122248 /nfs/dbraw/zinc/12/22/48/221122248.db2.gz FIAIXMWZINHZER-HNNXBMFYSA-N 0 0 333.432 1.369 10 0 EDAERN Cc1ccc(OCC(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000118672401 221167934 /nfs/dbraw/zinc/16/79/34/221167934.db2.gz DUMBOGZDRMVTBY-HNNXBMFYSA-N 0 0 326.400 1.949 10 0 EDAERN C[C@H](O)CCNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000118721149 221173641 /nfs/dbraw/zinc/17/36/41/221173641.db2.gz QGVTXKMVKIHKMW-XHDPSFHLSA-N 0 0 347.440 1.570 10 0 EDAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000119365508 221305064 /nfs/dbraw/zinc/30/50/64/221305064.db2.gz LTUORNHYJFHOMN-STQMWFEESA-N 0 0 336.440 1.416 10 0 EDAERN COCCC1(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CCC1 ZINC000119472056 221328547 /nfs/dbraw/zinc/32/85/47/221328547.db2.gz PITKVYYZAGVFAE-JKSUJKDBSA-N 0 0 339.480 1.555 10 0 EDAERN O=C(NCc1ccccc1)c1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000119731747 221387904 /nfs/dbraw/zinc/38/79/04/221387904.db2.gz QCKHAOQPNRNERF-OAHLLOKOSA-N 0 0 337.379 1.691 10 0 EDAERN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)[C@@H]1CCCO1)C2 ZINC000248048948 257668070 /nfs/dbraw/zinc/66/80/70/257668070.db2.gz QLHQMCKTZHYDBH-QFBILLFUSA-N 0 0 343.427 1.115 10 0 EDAERN COCc1nc(-c2ccnn2C)nc(N)c1I ZINC000159877970 533270231 /nfs/dbraw/zinc/27/02/31/533270231.db2.gz MSECUFLESFPUSJ-UHFFFAOYSA-N 0 0 345.144 1.210 10 0 EDAERN COC(=O)C1CCC(C(=O)Nc2cncnc2-n2cccn2)CC1 ZINC000181953370 533279144 /nfs/dbraw/zinc/27/91/44/533279144.db2.gz QUAZYZYOCYZUBV-UHFFFAOYSA-N 0 0 329.360 1.580 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOc1ccccc1 ZINC000154363921 533284210 /nfs/dbraw/zinc/28/42/10/533284210.db2.gz JFJVQYIEEBJMIW-AWEZNQCLSA-N 0 0 345.403 1.638 10 0 EDAERN COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)SC[C@H](O)CO ZINC000181124375 533297499 /nfs/dbraw/zinc/29/74/99/533297499.db2.gz IJBBXCUOOLZNSD-NEPJUHHUSA-N 0 0 338.347 1.876 10 0 EDAERN COc1cc(Br)cc(NC(=O)Cn2ccc(N)n2)c1 ZINC000168814912 533488886 /nfs/dbraw/zinc/48/88/86/533488886.db2.gz MGKNOOYKHOEEAK-UHFFFAOYSA-N 0 0 325.166 1.875 10 0 EDAERN C[C@@H](N[C@@H](CO)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000183626032 533512804 /nfs/dbraw/zinc/51/28/04/533512804.db2.gz XURCXVVLLNJUTE-CJNGLKHVSA-N 0 0 339.395 1.683 10 0 EDAERN COc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc1F ZINC000184908599 533579381 /nfs/dbraw/zinc/57/93/81/533579381.db2.gz DZHUYZCZDYDSPR-AAEUAGOBSA-N 0 0 338.379 1.749 10 0 EDAERN COc1cccc(N2CC[C@@H](CNC(=O)N3CC(NC(C)=O)C3)C2)c1 ZINC000190019487 533579719 /nfs/dbraw/zinc/57/97/19/533579719.db2.gz SUJHZKWJWMGUTQ-AWEZNQCLSA-N 0 0 346.431 1.051 10 0 EDAERN C[C@H](CC(=O)NC[C@H](O)CN1CCOCC1)c1ccc(F)cc1F ZINC000132918939 533657848 /nfs/dbraw/zinc/65/78/48/533657848.db2.gz HINZOHXUHNRVOS-OCCSQVGLSA-N 0 0 342.386 1.268 10 0 EDAERN CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccncc2)c2ccccc21 ZINC000062190052 132435380 /nfs/dbraw/zinc/43/53/80/132435380.db2.gz BIYIFRZOKPLOIF-CQSZACIVSA-N 0 0 331.397 1.722 10 0 EDAERN CN(Cc1cc[nH]n1)C(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC000329234434 140702446 /nfs/dbraw/zinc/70/24/46/140702446.db2.gz HTHCEFMQNLBIGT-UHFFFAOYSA-N 0 0 334.420 1.177 10 0 EDAERN Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCC[C@@](F)(CO)C1 ZINC000329245452 140702845 /nfs/dbraw/zinc/70/28/45/140702845.db2.gz QNOUJLRZFBYNON-DOMZBBRYSA-N 0 0 326.372 1.600 10 0 EDAERN Cc1sc2ncn(CCC(=O)N3CC(O)(C4CC4)C3)c(=O)c2c1C ZINC000330077040 140800408 /nfs/dbraw/zinc/80/04/08/140800408.db2.gz HHUPHAXUEGWRFF-UHFFFAOYSA-N 0 0 347.440 1.448 10 0 EDAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H](OCC2CC2)C1 ZINC000330320330 140833347 /nfs/dbraw/zinc/83/33/47/140833347.db2.gz RQONHJJWYQJUDK-OAHLLOKOSA-N 0 0 341.411 1.814 10 0 EDAERN Cn1c(N[C@H]2CCN(C3CCOCC3)C2=O)nc2cccc(F)c21 ZINC000333015896 141250351 /nfs/dbraw/zinc/25/03/51/141250351.db2.gz CDWKDHFNXYQMRD-AWEZNQCLSA-N 0 0 332.379 1.904 10 0 EDAERN C[C@H](NC(=O)Nc1ccc(N2CCC2=O)cc1)C(=O)N1CCCCC1 ZINC000333036862 141253545 /nfs/dbraw/zinc/25/35/45/141253545.db2.gz BPIMTTNBCATIGN-ZDUSSCGKSA-N 0 0 344.415 1.946 10 0 EDAERN C[C@@H]1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC000333084050 141260990 /nfs/dbraw/zinc/26/09/90/141260990.db2.gz GCKBLYNXZCYSKX-IUODEOHRSA-N 0 0 325.430 1.197 10 0 EDAERN Cc1ncsc1CCNC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000333216469 141282478 /nfs/dbraw/zinc/28/24/78/141282478.db2.gz UZXVLFHHDSJOAI-ZIAGYGMSSA-N 0 0 338.477 1.499 10 0 EDAERN CNC(=O)c1ccn([C@@H]2CCCN(c3cnc4c(n3)CCCC4)C2)n1 ZINC000333538009 141333317 /nfs/dbraw/zinc/33/33/17/141333317.db2.gz NKEJWLBVRMWAKY-CYBMUJFWSA-N 0 0 340.431 1.753 10 0 EDAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000333572338 141339031 /nfs/dbraw/zinc/33/90/31/141339031.db2.gz IUBLBTCUHGCHFK-KLHDSHLOSA-N 0 0 349.475 1.890 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000188386028 292179434 /nfs/dbraw/zinc/17/94/34/292179434.db2.gz BGCHQJSUHJRTHU-INIZCTEOSA-N 0 0 333.432 1.930 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000173694202 533676443 /nfs/dbraw/zinc/67/64/43/533676443.db2.gz MNLNCFYNBVNJAQ-CQSZACIVSA-N 0 0 327.388 1.697 10 0 EDAERN COc1ccccc1OCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000371806692 156112994 /nfs/dbraw/zinc/11/29/94/156112994.db2.gz KIUAGYUDLQPQHC-OAHLLOKOSA-N 0 0 334.416 1.397 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)c1 ZINC000178211996 161515246 /nfs/dbraw/zinc/51/52/46/161515246.db2.gz RJQVCCIWQISLBG-UONOGXRCSA-N 0 0 342.403 1.131 10 0 EDAERN C[C@@H](CC(=O)N1CCC(Oc2cnccn2)CC1)N1CCCCC1=O ZINC000328746443 161606094 /nfs/dbraw/zinc/60/60/94/161606094.db2.gz OSCBWNQOSFBKGP-AWEZNQCLSA-N 0 0 346.431 1.638 10 0 EDAERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)CCSc1ccc(N)cc1 ZINC000157912517 224912351 /nfs/dbraw/zinc/91/23/51/224912351.db2.gz SBXBLEAKZIZSNN-BXUZGUMPSA-N 0 0 330.475 1.800 10 0 EDAERN Cn1cc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1 ZINC000159004572 225126461 /nfs/dbraw/zinc/12/64/61/225126461.db2.gz KQQQMCQETAEXQZ-GDBMZVCRSA-N 0 0 330.363 1.395 10 0 EDAERN C[S@](=O)CCn1nnnc1-c1cccc(N)c1Br ZINC000159023080 225130324 /nfs/dbraw/zinc/13/03/24/225130324.db2.gz JWUNFEAYPQGQGF-GOSISDBHSA-N 0 0 330.211 1.063 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cs1 ZINC000159309077 225191463 /nfs/dbraw/zinc/19/14/63/225191463.db2.gz PLMNDHIHEJHXFT-NWDGAFQWSA-N 0 0 329.443 1.935 10 0 EDAERN CS[C@@H](C)CNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000163727953 226012202 /nfs/dbraw/zinc/01/22/02/226012202.db2.gz NSKBTYPPSYSOTB-LBPRGKRZSA-N 0 0 339.509 1.616 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)Cc1cccc(Br)c1 ZINC000167121694 226181057 /nfs/dbraw/zinc/18/10/57/226181057.db2.gz WLDVAZPOZDUSOP-LLVKDONJSA-N 0 0 334.235 1.323 10 0 EDAERN C[C@H](CNc1ncc(I)cn1)[S@](C)=O ZINC000165212966 226115378 /nfs/dbraw/zinc/11/53/78/226115378.db2.gz LSYYODSXRVGWMG-RWBAJPLHSA-N 0 0 325.175 1.260 10 0 EDAERN Cc1c(N)cn(C[C@H]2CN(C(C)C)CCO2)c(=O)c1Br ZINC000165398029 226123049 /nfs/dbraw/zinc/12/30/49/226123049.db2.gz ZEVXOIRRZFGTND-LLVKDONJSA-N 0 0 344.253 1.611 10 0 EDAERN CCn1ncnc1C[S@](=O)c1ccc(Br)cc1N ZINC000165709231 226134333 /nfs/dbraw/zinc/13/43/33/226134333.db2.gz KILJNEFNMLBLFP-GOSISDBHSA-N 0 0 329.223 1.951 10 0 EDAERN C[C@H](C(=O)N(C)C)S(=O)(=O)c1ccc(Br)cc1N ZINC000165753778 226135696 /nfs/dbraw/zinc/13/56/96/226135696.db2.gz BABCJAQPQMYFMT-SSDOTTSWSA-N 0 0 335.223 1.282 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)NC[C@H]2COCCO2)c1Cl ZINC000165900223 226140262 /nfs/dbraw/zinc/14/02/62/226140262.db2.gz GKGATIWRAOBCAR-ZETCQYMHSA-N 0 0 341.216 1.269 10 0 EDAERN C[C@H]1CN(S(=O)(=O)CCSc2ccc(N)cc2)CC[C@@H]1O ZINC000165974313 226141803 /nfs/dbraw/zinc/14/18/03/226141803.db2.gz SSLMBEFYPVEWSU-FZMZJTMJSA-N 0 0 330.475 1.393 10 0 EDAERN Cc1c(N)cccc1S(=O)(=O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000166036641 226145371 /nfs/dbraw/zinc/14/53/71/226145371.db2.gz VOBBXJRTAHNURU-NWDGAFQWSA-N 0 0 331.459 1.707 10 0 EDAERN CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC000166653857 226163604 /nfs/dbraw/zinc/16/36/04/226163604.db2.gz LATBYQSGBPIXSV-MNOVXSKESA-N 0 0 343.177 1.463 10 0 EDAERN [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166664540 226164557 /nfs/dbraw/zinc/16/45/57/226164557.db2.gz JYTWTASEOWRHGK-NXEZZACHSA-N 0 0 329.150 1.060 10 0 EDAERN C[C@@H](C(=O)c1ccc(Br)cc1)N1CCOC[C@@H]1CO ZINC000168302545 226212352 /nfs/dbraw/zinc/21/23/52/226212352.db2.gz QTGFAKUAFBGOID-GWCFXTLKSA-N 0 0 328.206 1.713 10 0 EDAERN O=C1CC[C@H]2CN(c3cc(Br)ccc3CO)CCN12 ZINC000168626886 226218572 /nfs/dbraw/zinc/21/85/72/226218572.db2.gz LYYGGNBGGBGAQA-LBPRGKRZSA-N 0 0 325.206 1.752 10 0 EDAERN COc1cc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)ccc1Br ZINC000169058562 226229942 /nfs/dbraw/zinc/22/99/42/226229942.db2.gz HKWWKJXBRURIMD-ZJUUUORDSA-N 0 0 336.207 1.028 10 0 EDAERN NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000169094339 226231967 /nfs/dbraw/zinc/23/19/67/226231967.db2.gz NASBCSGDCIWRKT-RYUDHWBXSA-N 0 0 329.322 1.819 10 0 EDAERN COCCN(CCOC)C1=C(c2ccccc2)C(=O)N(C(C)C)C1=O ZINC000170042605 226600182 /nfs/dbraw/zinc/60/01/82/226600182.db2.gz GTUGSZLJKZEGEA-UHFFFAOYSA-N 0 0 346.427 1.770 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCNC(=O)C(C)C ZINC000122033961 221999667 /nfs/dbraw/zinc/99/96/67/221999667.db2.gz GQDQRTAORREDKE-CQSZACIVSA-N 0 0 340.468 1.191 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000122470626 222095128 /nfs/dbraw/zinc/09/51/28/222095128.db2.gz HHRGJNRSMYDJBH-CYBMUJFWSA-N 0 0 328.376 1.522 10 0 EDAERN COCOc1ccc(OC)cc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000122290983 222055495 /nfs/dbraw/zinc/05/54/95/222055495.db2.gz NAPFUMWTKHTSBK-QGZVFWFLSA-N 0 0 347.415 1.775 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)Nc3ccc(F)cn3)CC2)cn1 ZINC000122448102 222090965 /nfs/dbraw/zinc/09/09/65/222090965.db2.gz SBIPELIGVIJXDI-UHFFFAOYSA-N 0 0 332.383 1.694 10 0 EDAERN C[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)[C@@H]1CCCO1 ZINC000123004435 222198456 /nfs/dbraw/zinc/19/84/56/222198456.db2.gz KMELNTITMQJYLU-AJNGGQMLSA-N 0 0 338.404 1.681 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000123229015 222239131 /nfs/dbraw/zinc/23/91/31/222239131.db2.gz QRAKMPWAJJYVPT-IUODEOHRSA-N 0 0 341.839 1.393 10 0 EDAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@H](Oc2cccnc2)C1 ZINC000123361218 222263254 /nfs/dbraw/zinc/26/32/54/222263254.db2.gz RRRDQTIODPWNJW-YOEHRIQHSA-N 0 0 343.427 1.852 10 0 EDAERN C[C@@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)Cn1cccn1 ZINC000123432088 222275825 /nfs/dbraw/zinc/27/58/25/222275825.db2.gz DCVDRQYGINWAMJ-KBPBESRZSA-N 0 0 329.404 1.846 10 0 EDAERN CCn1cc(C2CCN(C(=O)[C@H](NC(=O)OC)C(C)C)CC2)cn1 ZINC000124112374 222378129 /nfs/dbraw/zinc/37/81/29/222378129.db2.gz MZJUNWCFPGRIIR-OAHLLOKOSA-N 0 0 336.436 1.990 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)NCc3cccnc3)CC2)n1 ZINC000171594786 227160787 /nfs/dbraw/zinc/16/07/87/227160787.db2.gz GDSPGMCKSPJBSR-UHFFFAOYSA-N 0 0 342.403 1.302 10 0 EDAERN COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000171702760 227232354 /nfs/dbraw/zinc/23/23/54/227232354.db2.gz ZEJKMFAQZSEPDU-HOCLYGCPSA-N 0 0 343.431 1.629 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCCc3ccsc3)CCO2)c1 ZINC000171839474 227309358 /nfs/dbraw/zinc/30/93/58/227309358.db2.gz QAONLJWFQSPVDJ-OAHLLOKOSA-N 0 0 334.445 1.906 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)Nc3cc(C)on3)CC2)n1 ZINC000171836826 227309577 /nfs/dbraw/zinc/30/95/77/227309577.db2.gz IHYZFGPHQQZVJK-NSHDSACASA-N 0 0 334.380 1.839 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000171871797 227328664 /nfs/dbraw/zinc/32/86/64/227328664.db2.gz NRJQUGMKVVYADM-CYBMUJFWSA-N 0 0 349.387 1.612 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccccc3SCC(N)=O)C2)cn1 ZINC000172261461 227580309 /nfs/dbraw/zinc/58/03/09/227580309.db2.gz LEEAHEUBLYIUJG-GFCCVEGCSA-N 0 0 344.440 1.627 10 0 EDAERN COC(=O)[C@H](NC(=O)c1cccc2c1oc(=O)n2C)c1ccccc1 ZINC000130714789 287497853 /nfs/dbraw/zinc/49/78/53/287497853.db2.gz NQYHOKSBSCGFQQ-CQSZACIVSA-N 0 0 340.335 1.776 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)COCc2cc(C)no2)C12CCOCC2 ZINC000193883547 272999515 /nfs/dbraw/zinc/99/95/15/272999515.db2.gz ITHWVEMAJPXBJZ-LSDHHAIUSA-N 0 0 338.404 1.590 10 0 EDAERN CCN1CCC[C@H](NC(=O)Nc2ccccc2S(C)(=O)=O)C1 ZINC000194330622 273002583 /nfs/dbraw/zinc/00/25/83/273002583.db2.gz ZOWHMOABPROKLJ-LBPRGKRZSA-N 0 0 325.434 1.696 10 0 EDAERN Cc1nc(C[C@H]2CCCN([C@H]3CCN(CC(F)(F)F)C3=O)C2)no1 ZINC000247726396 273016209 /nfs/dbraw/zinc/01/62/09/273016209.db2.gz SRDOTSSUHQKNJD-NEPJUHHUSA-N 0 0 346.353 1.796 10 0 EDAERN Cn1cnc2cc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc21 ZINC000074837786 267396929 /nfs/dbraw/zinc/39/69/29/267396929.db2.gz SEGMKJXJADKGJH-UHFFFAOYSA-N 0 0 343.368 1.544 10 0 EDAERN COc1ccccc1CN1CCN(Cc2nnnn2C(C)C)CC1 ZINC000170817337 267523503 /nfs/dbraw/zinc/52/35/03/267523503.db2.gz GACJHCZERIXGHD-UHFFFAOYSA-N 0 0 330.436 1.580 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](CO)C2)C1 ZINC000192683336 267829817 /nfs/dbraw/zinc/82/98/17/267829817.db2.gz DRPVHJANJXTRDG-KGLIPLIRSA-N 0 0 326.437 1.864 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000246114731 287727848 /nfs/dbraw/zinc/72/78/48/287727848.db2.gz NXYCNBXGUJCCQN-RCBQFDQVSA-N 0 0 343.431 1.713 10 0 EDAERN COC(=O)[C@](C)(CNC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000249294463 287794794 /nfs/dbraw/zinc/79/47/94/287794794.db2.gz MUCLIRGWSBIMGU-QIIPPGSGSA-N 0 0 334.416 1.984 10 0 EDAERN CN1C[C@H](NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CCC1=O ZINC000172490781 276986332 /nfs/dbraw/zinc/98/63/32/276986332.db2.gz KKVPPHVCTSPNLO-RVKKMQEKSA-N 0 0 343.427 1.333 10 0 EDAERN CC(=O)N1CC(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1 ZINC000191897278 277980476 /nfs/dbraw/zinc/98/04/76/277980476.db2.gz RSZJRQVLCHNMGK-CQSZACIVSA-N 0 0 331.420 1.146 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000081580781 279134389 /nfs/dbraw/zinc/13/43/89/279134389.db2.gz JXNQWHWVKARURR-ZDUSSCGKSA-N 0 0 339.355 1.800 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000180252016 280888244 /nfs/dbraw/zinc/88/82/44/280888244.db2.gz RYKQBQJVIGJUNZ-WBVHZDCISA-N 0 0 345.443 1.421 10 0 EDAERN CCC(=O)N1[C@@H](C(=O)NC[C@H]2CCCO2)COC12CCC(C)CC2 ZINC000036018082 281945160 /nfs/dbraw/zinc/94/51/60/281945160.db2.gz FTNQVKAMSGSEJV-NWPKHEMWSA-N 0 0 338.448 1.825 10 0 EDAERN CCn1ccnc1CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247733655 288717348 /nfs/dbraw/zinc/71/73/48/288717348.db2.gz VEVWKDCSWCKBNL-KBPBESRZSA-N 0 0 327.450 1.071 10 0 EDAERN Cn1c(=O)cc(C(=O)N2CCOC[C@]23CCOC3)c2ccccc21 ZINC000333139714 294139810 /nfs/dbraw/zinc/13/98/10/294139810.db2.gz YMSUEIQRFZSXBX-GOSISDBHSA-N 0 0 328.368 1.170 10 0 EDAERN Cn1ccc(NC(=O)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000126378833 294354835 /nfs/dbraw/zinc/35/48/35/294354835.db2.gz BAMFIAKQGBZZTH-LBPRGKRZSA-N 0 0 328.372 1.777 10 0 EDAERN Nc1cccc2c1CCCN2C(=O)c1cnc2n(c1=O)CCS2 ZINC000238065388 295363943 /nfs/dbraw/zinc/36/39/43/295363943.db2.gz AIEGEGOQVHSNFU-UHFFFAOYSA-N 0 0 328.397 1.524 10 0 EDAERN CS(=O)(=O)CC1(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000183205866 295486405 /nfs/dbraw/zinc/48/64/05/295486405.db2.gz VTBLJMULEHAKNG-ZDUSSCGKSA-N 0 0 340.449 1.471 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000078398804 302177185 /nfs/dbraw/zinc/17/71/85/302177185.db2.gz LKVFPPBIYDFSTL-ZDUSSCGKSA-N 0 0 345.424 1.670 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000183748497 302852750 /nfs/dbraw/zinc/85/27/50/302852750.db2.gz AUJYLFTXVDHPTA-QMMMGPOBSA-N 0 0 349.821 1.855 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000247062484 303306611 /nfs/dbraw/zinc/30/66/11/303306611.db2.gz VJPIUTBZXBRSFF-WZRBSPASSA-N 0 0 343.210 1.810 10 0 EDAERN NC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]12 ZINC000109794919 303318438 /nfs/dbraw/zinc/31/84/38/303318438.db2.gz HYVRRKUOUHOFKO-HRDYMLBCSA-N 0 0 334.378 1.063 10 0 EDAERN C[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000399228739 303858195 /nfs/dbraw/zinc/85/81/95/303858195.db2.gz BFTRPXFFVBROEK-GXSJLCMTSA-N 0 0 334.235 1.983 10 0 EDAERN COC(=O)C[C@H](NC(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC000044683094 440869792 /nfs/dbraw/zinc/86/97/92/440869792.db2.gz RNFYVDLOSCBWCY-HNNXBMFYSA-N 0 0 326.352 1.820 10 0 EDAERN O=S(=O)(CCSc1nc[nH]n1)c1nc2ccccc2s1 ZINC000005876779 440972109 /nfs/dbraw/zinc/97/21/09/440972109.db2.gz RBMOOIRTNJJTAU-UHFFFAOYSA-N 0 0 326.428 1.980 10 0 EDAERN OC1[C@H]2OC3(CCCCC3)O[C@@H]2C(O)[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000005975863 440976379 /nfs/dbraw/zinc/97/63/79/440976379.db2.gz LJLFYCLESOMKAW-HWZZAJBBSA-N 0 0 340.416 1.611 10 0 in-vitro EDAERN COC(=O)C[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000070826437 441122398 /nfs/dbraw/zinc/12/23/98/441122398.db2.gz DTHDRBNGLRIJJD-CYBMUJFWSA-N 0 0 338.385 1.874 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000057571845 441122925 /nfs/dbraw/zinc/12/29/25/441122925.db2.gz SQCMERWHKDSCDK-SNVBAGLBSA-N 0 0 343.383 1.868 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N[C@H](c2ccco2)c2ccccc2)C1 ZINC000105092743 441232595 /nfs/dbraw/zinc/23/25/95/441232595.db2.gz GNEWOMRYDUJKTH-RDJZCZTQSA-N 0 0 329.400 1.999 10 0 EDAERN CN(CCOc1ccc(Cl)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104799553 441211846 /nfs/dbraw/zinc/21/18/46/441211846.db2.gz YNHTXZDGVGLYRE-OAHLLOKOSA-N 0 0 341.839 1.691 10 0 EDAERN Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000081607025 441295251 /nfs/dbraw/zinc/29/52/51/441295251.db2.gz CYPBXPXCQHISQH-IUODEOHRSA-N 0 0 330.392 1.643 10 0 EDAERN COC(=O)c1coc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000105864907 441295472 /nfs/dbraw/zinc/29/54/72/441295472.db2.gz KHGDHUBHLJIDRU-LLVKDONJSA-N 0 0 334.376 1.636 10 0 EDAERN Cc1ccc(CNC(=O)CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000105804583 441274661 /nfs/dbraw/zinc/27/46/61/441274661.db2.gz FNFBSQPFSRGWTE-UHFFFAOYSA-N 0 0 339.443 1.978 10 0 EDAERN O=C(NCCNC(=O)c1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1CO ZINC000081487978 441276785 /nfs/dbraw/zinc/27/67/85/441276785.db2.gz MXSOFFGRKVWTEJ-UKRRQHHQSA-N 0 0 337.395 1.406 10 0 EDAERN Fc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1F ZINC000105816881 441276996 /nfs/dbraw/zinc/27/69/96/441276996.db2.gz ZZORKMCERQYQCD-UHFFFAOYSA-N 0 0 330.342 1.725 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cc(CC)n[nH]3)CC2)cn1 ZINC000105833837 441285143 /nfs/dbraw/zinc/28/51/43/441285143.db2.gz SBPGJCQBOCYVAN-UHFFFAOYSA-N 0 0 344.463 1.927 10 0 EDAERN COCCN1CCN(CC(=O)N(C)Cc2ccccc2F)C[C@H]1C ZINC000105832607 441285274 /nfs/dbraw/zinc/28/52/74/441285274.db2.gz UEGMYMIAULCOGT-OAHLLOKOSA-N 0 0 337.439 1.437 10 0 EDAERN COCCN1CCN(CC(=O)NCc2ccc(Cl)cc2)C[C@@H]1C ZINC000105831988 441285765 /nfs/dbraw/zinc/28/57/65/441285765.db2.gz XQHNOROAFWFCPZ-AWEZNQCLSA-N 0 0 339.867 1.609 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105850270 441292501 /nfs/dbraw/zinc/29/25/01/441292501.db2.gz BKFGHLOAAPRSNW-UONOGXRCSA-N 0 0 335.452 1.928 10 0 EDAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(c2nncn2CC)CC1 ZINC000105861872 441293161 /nfs/dbraw/zinc/29/31/61/441293161.db2.gz APTVOYKWIZEUTN-OAHLLOKOSA-N 0 0 347.463 1.795 10 0 EDAERN CCOc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1F ZINC000106271562 441329587 /nfs/dbraw/zinc/32/95/87/441329587.db2.gz RUXBOBQMVPZZCE-CYBMUJFWSA-N 0 0 325.384 1.354 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)CCCNC(=O)c2ccccc2)CC1 ZINC000106395692 441338366 /nfs/dbraw/zinc/33/83/66/441338366.db2.gz JEKRBACQWHBKCJ-KRWDZBQOSA-N 0 0 347.459 1.112 10 0 EDAERN C[C@@H](CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)N1CCOCC1 ZINC000073652604 441339461 /nfs/dbraw/zinc/33/94/61/441339461.db2.gz MQQSFKCESOVQOH-RYUDHWBXSA-N 0 0 339.440 1.448 10 0 EDAERN CCCN(CCC)C(=O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893334 441309883 /nfs/dbraw/zinc/30/98/83/441309883.db2.gz RBOHKKNUDJMFTM-KRWDZBQOSA-N 0 0 336.480 1.849 10 0 EDAERN COC(=O)c1ccc(NC(=O)[C@@]2(C)Oc3cccnc3NC2=O)cc1 ZINC000065241685 441409527 /nfs/dbraw/zinc/40/95/27/441409527.db2.gz QZFAGZKTHOHYNL-QGZVFWFLSA-N 0 0 341.323 1.597 10 0 EDAERN COc1cc(Cc2c(N)nc(N)nc2SC)cc(OC)c1OC ZINC000027627582 441409567 /nfs/dbraw/zinc/40/95/67/441409567.db2.gz VEVXEIZWSIBHLL-UHFFFAOYSA-N 0 0 336.417 1.980 10 0 EDAERN CC(C)(NCc1ccccc1F)c1nc2c(c(C(N)=O)n1)OCCO2 ZINC000065293237 441415546 /nfs/dbraw/zinc/41/55/46/441415546.db2.gz PSRLNJIDQNGMJV-UHFFFAOYSA-N 0 0 346.362 1.511 10 0 EDAERN CC(C)COCCCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000052399736 441449298 /nfs/dbraw/zinc/44/92/98/441449298.db2.gz HJNRCAJOFXNGRD-INIZCTEOSA-N 0 0 331.420 1.636 10 0 EDAERN Cn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c1ccn(C)c2=O ZINC000065118781 441403735 /nfs/dbraw/zinc/40/37/35/441403735.db2.gz IYTNTDYRRUSBIQ-UHFFFAOYSA-N 0 0 339.351 1.536 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000108608231 441469162 /nfs/dbraw/zinc/46/91/62/441469162.db2.gz JHQIKXIMEJOQIH-UHFFFAOYSA-N 0 0 332.360 1.764 10 0 EDAERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)NCC1CCCCC1 ZINC000109005721 441484839 /nfs/dbraw/zinc/48/48/39/441484839.db2.gz GSEUTMNARSDKPP-KRWDZBQOSA-N 0 0 334.464 1.671 10 0 EDAERN Cc1cc(I)ccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000110341640 441517540 /nfs/dbraw/zinc/51/75/40/441517540.db2.gz QPGFWSUMMSZDDZ-MRVPVSSYSA-N 0 0 344.152 1.674 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC000075528113 441530490 /nfs/dbraw/zinc/53/04/90/441530490.db2.gz DOXKOLTZFGOFFB-WCQYABFASA-N 0 0 338.429 1.618 10 0 EDAERN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075530958 441531403 /nfs/dbraw/zinc/53/14/03/441531403.db2.gz DYWNEHGHFALRHA-ZANVPECISA-N 0 0 346.836 1.403 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000076098037 441597514 /nfs/dbraw/zinc/59/75/14/441597514.db2.gz MPNBRKYKPVROFJ-IINYFYTJSA-N 0 0 327.340 1.995 10 0 EDAERN CCN(C(=O)N[C@@H]1CCCN(CC)C1)[C@@H](C)CS(=O)(=O)CC ZINC000113600841 441617929 /nfs/dbraw/zinc/61/79/29/441617929.db2.gz BMUVQWFDRFDSCG-UONOGXRCSA-N 0 0 333.498 1.325 10 0 EDAERN CN(CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ncnc2nc[nH]c21 ZINC000113897668 441626719 /nfs/dbraw/zinc/62/67/19/441626719.db2.gz TYJUXBTWJSLLLX-GFCCVEGCSA-N 0 0 340.391 1.266 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCOc2cccc(C(C)(C)C)c2)C1 ZINC000113974414 441629532 /nfs/dbraw/zinc/62/95/32/441629532.db2.gz XQIOEGPGHAICID-KRWDZBQOSA-N 0 0 349.475 1.993 10 0 EDAERN CCOC(=O)N1CCN(C(=O)CN2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000114202797 441642132 /nfs/dbraw/zinc/64/21/32/441642132.db2.gz PBADHPPHMPPQRV-HNNXBMFYSA-N 0 0 349.435 1.237 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OC)c(C)c(OC)c1)CC2 ZINC000114866290 441693387 /nfs/dbraw/zinc/69/33/87/441693387.db2.gz OVBJRDYVBPLZHD-ZDUSSCGKSA-N 0 0 344.415 1.911 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(CNC(C)=O)s1)CC2 ZINC000114869536 441693858 /nfs/dbraw/zinc/69/38/58/441693858.db2.gz RXMGQFWUPJVQHV-NSHDSACASA-N 0 0 347.444 1.283 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)C1CCCCC1)CC2 ZINC000114975853 441708482 /nfs/dbraw/zinc/70/84/82/441708482.db2.gz MNBUWHGOQAUMEK-UONOGXRCSA-N 0 0 335.452 1.396 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000091189785 441671205 /nfs/dbraw/zinc/67/12/05/441671205.db2.gz LSJMSBPDRBPAKF-CYBMUJFWSA-N 0 0 341.367 1.272 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)c[nH]2)ncn1 ZINC000173430456 441747631 /nfs/dbraw/zinc/74/76/31/441747631.db2.gz GXEOHPSESRWMFG-LLVKDONJSA-N 0 0 334.811 1.899 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000136852524 441728909 /nfs/dbraw/zinc/72/89/09/441728909.db2.gz BRDGQXIRLWMFBB-LBPRGKRZSA-N 0 0 343.387 1.328 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000158354307 441729072 /nfs/dbraw/zinc/72/90/72/441729072.db2.gz VSLDFJMDWRQRCK-XQQFMLRXSA-N 0 0 337.370 1.988 10 0 EDAERN Cc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000121951243 441819267 /nfs/dbraw/zinc/81/92/67/441819267.db2.gz OFTBSYNDDRKGOA-HNNXBMFYSA-N 0 0 342.447 1.497 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3sccc3OC(F)F)CCO2)[nH]1 ZINC000173518902 441776090 /nfs/dbraw/zinc/77/60/90/441776090.db2.gz XQENQYKSHFJDOM-VIFPVBQESA-N 0 0 344.343 1.990 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116418546 441820360 /nfs/dbraw/zinc/82/03/60/441820360.db2.gz VCDXMJLTCYSZKT-CQSZACIVSA-N 0 0 330.436 1.512 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)COc3cc(C)ccc3C)CCO2)[nH]1 ZINC000173563276 441792757 /nfs/dbraw/zinc/79/27/57/441792757.db2.gz BGEILTPWOCCAMY-HNNXBMFYSA-N 0 0 344.415 1.963 10 0 EDAERN CCOc1ccc(CC(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1 ZINC000173578844 441796496 /nfs/dbraw/zinc/79/64/96/441796496.db2.gz CTMPMJCKKFCBHU-OAHLLOKOSA-N 0 0 344.415 1.908 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CSCc3cccnc3)CCO2)[nH]1 ZINC000173581819 441798277 /nfs/dbraw/zinc/79/82/77/441798277.db2.gz LDXYZVIOIZIJFC-CYBMUJFWSA-N 0 0 347.444 1.595 10 0 EDAERN O=C(CC1(C(=O)NC[C@H]2CCCCO2)CCCC1)N1CCOCC1 ZINC000138827003 441800116 /nfs/dbraw/zinc/80/01/16/441800116.db2.gz MBNBJVGZGPDKGJ-OAHLLOKOSA-N 0 0 338.448 1.481 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3c(Cl)nc4ccccn43)CCO2)[nH]1 ZINC000173600982 441802715 /nfs/dbraw/zinc/80/27/15/441802715.db2.gz RYRKIXKTKQSWPN-SNVBAGLBSA-N 0 0 346.778 1.628 10 0 EDAERN C[C@H](CNC(=O)N[C@@H](CCCO)c1ccccc1)N1CCOCC1 ZINC000077773943 441857425 /nfs/dbraw/zinc/85/74/25/441857425.db2.gz JAGUNLPTRRTCJW-WBVHZDCISA-N 0 0 335.448 1.520 10 0 EDAERN C[C@H](CNC(=O)N[C@H](CCCO)c1ccccc1)N1CCOCC1 ZINC000077773947 441857574 /nfs/dbraw/zinc/85/75/74/441857574.db2.gz JAGUNLPTRRTCJW-NVXWUHKLSA-N 0 0 335.448 1.520 10 0 EDAERN CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077778341 441859010 /nfs/dbraw/zinc/85/90/10/441859010.db2.gz HQGKICHBHGTHSV-HZPDHXFCSA-N 0 0 333.432 1.787 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)CC3CCOCC3)CC2)n1 ZINC000117146571 441865847 /nfs/dbraw/zinc/86/58/47/441865847.db2.gz QOTFNBXKULXADG-CYBMUJFWSA-N 0 0 336.436 1.654 10 0 EDAERN COc1ccccc1NCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173957883 441870613 /nfs/dbraw/zinc/87/06/13/441870613.db2.gz XMGBSLHMFSTEQX-GDBMZVCRSA-N 0 0 333.432 1.286 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cnc1Cl ZINC000117365456 441871448 /nfs/dbraw/zinc/87/14/48/441871448.db2.gz XYNYMNBWPNTCNZ-NWDGAFQWSA-N 0 0 329.853 1.901 10 0 EDAERN CN1CCO[C@@H](CNC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)C1 ZINC000116739832 441839445 /nfs/dbraw/zinc/83/94/45/441839445.db2.gz GIIPAROTUPBSPC-LPHOPBHVSA-N 0 0 345.443 1.128 10 0 EDAERN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000147491478 441908366 /nfs/dbraw/zinc/90/83/66/441908366.db2.gz WPDIQZUFIUDHJB-ZFWWWQNUSA-N 0 0 335.404 1.441 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000124294490 441915404 /nfs/dbraw/zinc/91/54/04/441915404.db2.gz MHSCUTVLUUQGOA-DOMZBBRYSA-N 0 0 333.436 1.634 10 0 EDAERN COC(=O)CCCCCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174048501 441883363 /nfs/dbraw/zinc/88/33/63/441883363.db2.gz JIZGIIOYRBBWOI-CQSZACIVSA-N 0 0 337.424 1.748 10 0 EDAERN C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(-c2ccccc2)cc1 ZINC000174165803 441896663 /nfs/dbraw/zinc/89/66/63/441896663.db2.gz GZHAZSNJXCYQTF-ZDUSSCGKSA-N 0 0 349.394 1.921 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119792950 441953147 /nfs/dbraw/zinc/95/31/47/441953147.db2.gz NLMTWKHBLQWATH-MRXNPFEDSA-N 0 0 349.406 1.352 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000174912369 441982773 /nfs/dbraw/zinc/98/27/73/441982773.db2.gz PUWOUGJOGLVJQY-AWEZNQCLSA-N 0 0 348.447 1.993 10 0 EDAERN C[C@H](NC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)[C@H]1CCCO1 ZINC000174949092 441987403 /nfs/dbraw/zinc/98/74/03/441987403.db2.gz HQUCRBZKLZEWKJ-XJKSGUPXSA-N 0 0 349.406 1.747 10 0 EDAERN CCC[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)OC(C)(C)C ZINC000161519251 442008367 /nfs/dbraw/zinc/00/83/67/442008367.db2.gz UIWVVWVUVYRLAB-GFCCVEGCSA-N 0 0 347.419 1.981 10 0 EDAERN CO[C@H](C)c1noc(CN2CCN([C@H](C)c3nc(C)no3)CC2)n1 ZINC000175192372 442013834 /nfs/dbraw/zinc/01/38/34/442013834.db2.gz FZIRFHMEUKKQMP-GHMZBOCLSA-N 0 0 336.396 1.347 10 0 EDAERN CCc1nc(C2(NC(=O)[C@H](C)CS(C)(=O)=O)CCCC2)no1 ZINC000175151085 442010330 /nfs/dbraw/zinc/01/03/30/442010330.db2.gz JRRFEVBLJTTWQV-SNVBAGLBSA-N 0 0 329.422 1.198 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)CCN1CCOC ZINC000125436176 442021124 /nfs/dbraw/zinc/02/11/24/442021124.db2.gz GZRXFXFDIDOEMR-CYBMUJFWSA-N 0 0 325.434 1.256 10 0 EDAERN CCCCOCCCNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000175294891 442035539 /nfs/dbraw/zinc/03/55/39/442035539.db2.gz CIMNBCPVNTXVNJ-ZDUSSCGKSA-N 0 0 325.413 1.403 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccc(-c2ccccc2)nn1)N1CCOCC1 ZINC000120309069 442047422 /nfs/dbraw/zinc/04/74/22/442047422.db2.gz FOJDOSAVSOQASB-AWEZNQCLSA-N 0 0 341.415 1.986 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCCNc3ccccn3)CCO2)[nH]1 ZINC000175393461 442054559 /nfs/dbraw/zinc/05/45/59/442054559.db2.gz SHMLDSFGPUIGCB-ZDUSSCGKSA-N 0 0 345.407 1.093 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000151552329 442082278 /nfs/dbraw/zinc/08/22/78/442082278.db2.gz QWFSZJUDSFQCDK-PWSUYJOCSA-N 0 0 331.376 1.203 10 0 EDAERN CCc1nc(C2(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CCCC2)no1 ZINC000175794261 442123498 /nfs/dbraw/zinc/12/34/98/442123498.db2.gz WHEPBFWJSHDLIL-LLVKDONJSA-N 0 0 335.408 1.308 10 0 EDAERN CC(C)C[C@H](CCO)CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000120790825 442133092 /nfs/dbraw/zinc/13/30/92/442133092.db2.gz ZRUCVRPHPBSJAB-HOTGVXAUSA-N 0 0 327.469 1.147 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1nnc2n1CCCC2 ZINC000126695683 442134821 /nfs/dbraw/zinc/13/48/21/442134821.db2.gz XWYFWWIXWURKRO-UBHSHLNASA-N 0 0 333.436 1.932 10 0 EDAERN CSc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000151894216 442136734 /nfs/dbraw/zinc/13/67/34/442136734.db2.gz JXUBENIBBCDSGM-NWDGAFQWSA-N 0 0 332.429 1.899 10 0 EDAERN Cc1ccccc1OCCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175704356 442108275 /nfs/dbraw/zinc/10/82/75/442108275.db2.gz WKOWJHZYIDVJJD-IRXDYDNUSA-N 0 0 347.459 1.736 10 0 EDAERN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121145438 442182369 /nfs/dbraw/zinc/18/23/69/442182369.db2.gz CORVQEJTCNKUQE-CYBMUJFWSA-N 0 0 329.356 1.572 10 0 EDAERN O=C1[C@H](N2CC[C@@H](Oc3cccnc3)C2)CCN1CC(F)(F)F ZINC000152233494 442186012 /nfs/dbraw/zinc/18/60/12/442186012.db2.gz JAKFYIKVOSBHFU-CHWSQXEVSA-N 0 0 329.322 1.698 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)Cn2ncc(=O)c3ccccc32)C12CCC2 ZINC000152311725 442196170 /nfs/dbraw/zinc/19/61/70/442196170.db2.gz UFNSBKQUSMXCNY-DLBZAZTESA-N 0 0 341.411 1.860 10 0 EDAERN Cc1nc2ccccc2n1CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176363888 442214652 /nfs/dbraw/zinc/21/46/52/442214652.db2.gz KFWRNPYEBMXJSU-CQSZACIVSA-N 0 0 339.403 1.771 10 0 EDAERN CCCOc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)c(OC(F)F)c1 ZINC000152541285 442223884 /nfs/dbraw/zinc/22/38/84/442223884.db2.gz SRPLLYDPEMJLKO-NSHDSACASA-N 0 0 342.342 1.829 10 0 EDAERN CC[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCN1C[C@@H](C)O ZINC000127812463 442226939 /nfs/dbraw/zinc/22/69/39/442226939.db2.gz GTBHLFCIRMWBBR-PWSUYJOCSA-N 0 0 346.353 1.413 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(=O)[nH]c1 ZINC000176532566 442231526 /nfs/dbraw/zinc/23/15/26/442231526.db2.gz HERQLKOJMITRHI-CQSZACIVSA-N 0 0 347.440 1.994 10 0 EDAERN O=C(Cc1ccc(F)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000127992122 442238339 /nfs/dbraw/zinc/23/83/39/442238339.db2.gz ABJVOFDEHNFBGK-AWEZNQCLSA-N 0 0 326.799 1.955 10 0 EDAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176691429 442246868 /nfs/dbraw/zinc/24/68/68/442246868.db2.gz VALJGWPFZJGCAZ-SMDDNHRTSA-N 0 0 328.376 1.240 10 0 EDAERN O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1COc2ccccc21 ZINC000170797982 442265983 /nfs/dbraw/zinc/26/59/83/442265983.db2.gz VDOJMEPCZJJIJP-GFCCVEGCSA-N 0 0 337.339 1.709 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000170807375 442267303 /nfs/dbraw/zinc/26/73/03/442267303.db2.gz JIQIOLZCSHNOFF-WMLDXEAASA-N 0 0 333.432 1.605 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000170822986 442269265 /nfs/dbraw/zinc/26/92/65/442269265.db2.gz NEDQMGOUKNEXPS-KWQFWETISA-N 0 0 343.305 1.442 10 0 EDAERN CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000170845641 442274701 /nfs/dbraw/zinc/27/47/01/442274701.db2.gz QQASIISGSHJACK-JTQLQIEISA-N 0 0 326.780 1.830 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)s1 ZINC000176992230 442281544 /nfs/dbraw/zinc/28/15/44/442281544.db2.gz MXIQOCMKOCIIEY-BXUZGUMPSA-N 0 0 344.502 1.706 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)C1CCC(CO)CC1)CC2 ZINC000128687422 442282449 /nfs/dbraw/zinc/28/24/49/442282449.db2.gz GFAUEMGXAVYDEC-MOKVOYLWSA-N 0 0 335.452 1.348 10 0 EDAERN CCOc1ccccc1C(F)(F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000128726762 442284494 /nfs/dbraw/zinc/28/44/94/442284494.db2.gz PGJIOVFBOCCOJS-NSHDSACASA-N 0 0 336.342 1.900 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCC(COc3ccccc3)CC2)C1 ZINC000170924166 442289452 /nfs/dbraw/zinc/28/94/52/442289452.db2.gz UJPXPWCUMCQBJJ-SFHVURJKSA-N 0 0 347.459 1.818 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000170766556 442260484 /nfs/dbraw/zinc/26/04/84/442260484.db2.gz HGEVJDQAAYQJEB-STQMWFEESA-N 0 0 331.347 1.745 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 ZINC000171237046 442331793 /nfs/dbraw/zinc/33/17/93/442331793.db2.gz WDPAHEOPXYVTSF-GJZGRUSLSA-N 0 0 337.420 1.745 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000154377955 442336267 /nfs/dbraw/zinc/33/62/67/442336267.db2.gz USABACHJXCFJER-LSDHHAIUSA-N 0 0 342.403 1.679 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)F)c1)N1CCOCC1 ZINC000171267970 442336298 /nfs/dbraw/zinc/33/62/98/442336298.db2.gz PLXXUDRJDYYVJG-NSHDSACASA-N 0 0 341.358 1.400 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1F ZINC000177395323 442336462 /nfs/dbraw/zinc/33/64/62/442336462.db2.gz QMBZWNMMQMYXKF-AWEZNQCLSA-N 0 0 349.406 1.860 10 0 EDAERN CCOC(=O)CC[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000130271183 442342810 /nfs/dbraw/zinc/34/28/10/442342810.db2.gz IBTQDOMNHOUURG-KBPBESRZSA-N 0 0 349.435 1.878 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCNC(=O)c2cccs2)cn1 ZINC000171462459 442350961 /nfs/dbraw/zinc/35/09/61/442350961.db2.gz DOCDKQFDZJVSPD-ZDUSSCGKSA-N 0 0 347.444 1.758 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000177188734 442311195 /nfs/dbraw/zinc/31/11/95/442311195.db2.gz XSERTEKEJWUUKV-INIZCTEOSA-N 0 0 326.400 1.856 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000129442573 442316312 /nfs/dbraw/zinc/31/63/12/442316312.db2.gz CPOAJAASHFKQKO-DOMZBBRYSA-N 0 0 341.367 1.098 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177629555 442364506 /nfs/dbraw/zinc/36/45/06/442364506.db2.gz AOXAGKIAHOOCQA-CYBMUJFWSA-N 0 0 327.388 1.300 10 0 EDAERN COCCn1cc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cn1 ZINC000177706005 442373137 /nfs/dbraw/zinc/37/31/37/442373137.db2.gz GKZVDKSJHXRBSR-HNNXBMFYSA-N 0 0 331.376 1.610 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177714041 442374905 /nfs/dbraw/zinc/37/49/05/442374905.db2.gz RQQWGHOTBJPOLC-GUYCJALGSA-N 0 0 346.431 1.829 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177714844 442374935 /nfs/dbraw/zinc/37/49/35/442374935.db2.gz RNRVDAMBVRXGQT-CZUORRHYSA-N 0 0 346.431 1.231 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccccc2N(C)C)C[C@H]1N1CCOCC1 ZINC000177733171 442377356 /nfs/dbraw/zinc/37/73/56/442377356.db2.gz ABOTWXSNIGUASJ-RHSMWYFYSA-N 0 0 332.448 1.937 10 0 EDAERN O=C(CNC(=O)c1cccc(Cl)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177799311 442385958 /nfs/dbraw/zinc/38/59/58/442385958.db2.gz UPPLOARNUYBMOX-OAHLLOKOSA-N 0 0 346.818 1.958 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NC[C@H]3CCCO3)CC2)cn1 ZINC000171865248 442386046 /nfs/dbraw/zinc/38/60/46/442386046.db2.gz MUMRZUPPWSKRQM-MRXNPFEDSA-N 0 0 335.452 1.299 10 0 EDAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177801814 442386276 /nfs/dbraw/zinc/38/62/76/442386276.db2.gz JZXXNPONQMDIJK-KFWWJZLASA-N 0 0 344.415 1.049 10 0 EDAERN C[C@H](CNC(=O)NCCOc1ccc(Cl)cn1)N1CCOCC1 ZINC000155413673 442396537 /nfs/dbraw/zinc/39/65/37/442396537.db2.gz QGPFPXWPZZZAHY-GFCCVEGCSA-N 0 0 342.827 1.134 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc([C@H](C)O)cc1)CC2 ZINC000172023444 442400922 /nfs/dbraw/zinc/40/09/22/442400922.db2.gz QIXSOKSUBPEIKJ-SWLSCSKDSA-N 0 0 343.431 1.708 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3F)C2)no1 ZINC000177589149 442360658 /nfs/dbraw/zinc/36/06/58/442360658.db2.gz DXKXHIYZIJBRIK-LBPRGKRZSA-N 0 0 346.362 1.937 10 0 EDAERN CNC(=O)Cc1nc(CN2CCC[C@H](n3cc(C)cn3)C2)cs1 ZINC000177599956 442361212 /nfs/dbraw/zinc/36/12/12/442361212.db2.gz NBTUZEWHLPOJHS-AWEZNQCLSA-N 0 0 333.461 1.774 10 0 EDAERN COC[C@H](C)S(=O)(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000177612512 442362963 /nfs/dbraw/zinc/36/29/63/442362963.db2.gz GTTXIWIRIJRTCT-NSHDSACASA-N 0 0 331.438 1.917 10 0 EDAERN Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000171617521 442363062 /nfs/dbraw/zinc/36/30/62/442363062.db2.gz BDLHXVBMHQRITR-RDJZCZTQSA-N 0 0 327.432 1.928 10 0 EDAERN Cc1cnn([C@H]2CCCN(CC(=O)NC(=O)NC3CCCC3)C2)c1 ZINC000171621126 442363617 /nfs/dbraw/zinc/36/36/17/442363617.db2.gz RIFBDWNKKAWPHM-HNNXBMFYSA-N 0 0 333.436 1.597 10 0 EDAERN COc1cc(C)ccc1CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000155719143 442421796 /nfs/dbraw/zinc/42/17/96/442421796.db2.gz PWALLMUCRBUUAF-WBVHZDCISA-N 0 0 347.459 1.866 10 0 EDAERN CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)CN1CCCC1=O ZINC000133519428 442421945 /nfs/dbraw/zinc/42/19/45/442421945.db2.gz YQCWBXMFEGVYJC-OAHLLOKOSA-N 0 0 328.416 1.492 10 0 EDAERN CCOCCN1CCN(C(=O)Cn2c(C)nc3ccccc32)C[C@@H]1C ZINC000172220286 442425267 /nfs/dbraw/zinc/42/52/67/442425267.db2.gz FPMVNENFHDIYAS-HNNXBMFYSA-N 0 0 344.459 1.914 10 0 EDAERN CC(C)[C@H](C)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000172234524 442427045 /nfs/dbraw/zinc/42/70/45/442427045.db2.gz RPAGPIIMBCNEPG-DLBZAZTESA-N 0 0 334.460 1.863 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCN1CCc2sccc2C1)C(C)C ZINC000178401577 442430433 /nfs/dbraw/zinc/43/04/33/442430433.db2.gz UBPFYGARXXWKGQ-CQSZACIVSA-N 0 0 338.477 1.176 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1CC ZINC000172297513 442438048 /nfs/dbraw/zinc/43/80/48/442438048.db2.gz CZFTZSXKQBHLHL-CQSZACIVSA-N 0 0 346.431 1.429 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178498695 442439249 /nfs/dbraw/zinc/43/92/49/442439249.db2.gz YVDHEFBYJHEGKK-MAUKXSAKSA-N 0 0 334.464 1.916 10 0 EDAERN COCCN1CCN(C(=O)NCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000172337683 442446061 /nfs/dbraw/zinc/44/60/61/442446061.db2.gz SVGWZEJXVVWYJT-HNNXBMFYSA-N 0 0 347.459 1.526 10 0 EDAERN C[C@@H](NC(=O)CN1CCCCCCC1=O)c1nnc2n1CCCC2 ZINC000178609235 442447585 /nfs/dbraw/zinc/44/75/85/442447585.db2.gz NJABZIPGGDBWSJ-CYBMUJFWSA-N 0 0 333.436 1.584 10 0 EDAERN CC(C)CCn1cc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)nn1 ZINC000172577882 442495959 /nfs/dbraw/zinc/49/59/59/442495959.db2.gz QQYILVIUGIOZDP-CYBMUJFWSA-N 0 0 345.451 1.784 10 0 EDAERN CCOC1CC(CCNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000191726526 442499869 /nfs/dbraw/zinc/49/98/69/442499869.db2.gz YVKVCDLZOONJJZ-ZGRYLRDCSA-N 0 0 339.480 1.554 10 0 EDAERN CCOCCO[C@H](C)C(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191760029 442505961 /nfs/dbraw/zinc/50/59/61/442505961.db2.gz BKGIGKKQQHQOQN-HIFRSBDPSA-N 0 0 325.409 1.245 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cccc(OC)c3O)CCO2)cn1 ZINC000191785136 442510735 /nfs/dbraw/zinc/51/07/35/442510735.db2.gz SPYSVPBTSLVPFN-OAHLLOKOSA-N 0 0 331.372 1.831 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc2cnn(C(C)C)c2nc1C)C(C)C ZINC000178868207 442507813 /nfs/dbraw/zinc/50/78/13/442507813.db2.gz PQKIKKFPBGLFPS-CQSZACIVSA-N 0 0 331.420 1.821 10 0 EDAERN CCc1nnc2ccc(N3C[C@@H](c4ccsc4)[C@H](CO)C3)nn21 ZINC000186149852 442473899 /nfs/dbraw/zinc/47/38/99/442473899.db2.gz VDUMGPFZCSPKJO-STQMWFEESA-N 0 0 329.429 1.961 10 0 EDAERN Cc1ccncc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186310499 442509399 /nfs/dbraw/zinc/50/93/99/442509399.db2.gz HRVZHWCXOSAZKF-KBPBESRZSA-N 0 0 345.424 1.625 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cc(F)cc(F)c2)C1)C1CCC1 ZINC000186175772 442478308 /nfs/dbraw/zinc/47/83/08/442478308.db2.gz RPTSKKIHSDKNJO-UHFFFAOYSA-N 0 0 330.356 1.254 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3c(C)noc3C)CCO2)cn1 ZINC000191631867 442479690 /nfs/dbraw/zinc/47/96/90/442479690.db2.gz QAGYOMSFZXPADJ-OAHLLOKOSA-N 0 0 333.392 1.791 10 0 EDAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000178777689 442482622 /nfs/dbraw/zinc/48/26/22/442482622.db2.gz FCNDUQWGCKAKBX-OCCSQVGLSA-N 0 0 346.387 1.455 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000172542418 442484837 /nfs/dbraw/zinc/48/48/37/442484837.db2.gz LDEDZMJJHBSGOU-AWEZNQCLSA-N 0 0 341.415 1.434 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C(C)(C)O)CC1 ZINC000191902267 442536682 /nfs/dbraw/zinc/53/66/82/442536682.db2.gz FTDPRCVGQHCCFW-ZDUSSCGKSA-N 0 0 328.453 1.412 10 0 EDAERN Cc1n[nH]cc1C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191912323 442538396 /nfs/dbraw/zinc/53/83/96/442538396.db2.gz KIEDYIBDOQGGPH-UHFFFAOYSA-N 0 0 336.436 1.596 10 0 EDAERN COC(=O)C1CCC(C(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000179915436 442518867 /nfs/dbraw/zinc/51/88/67/442518867.db2.gz GXRFXKFQUULBQF-UHFFFAOYSA-N 0 0 338.448 1.921 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)NCCOc1c(C)cccc1C ZINC000186356821 442519233 /nfs/dbraw/zinc/51/92/33/442519233.db2.gz HUPLNLWEEDZTNC-LJQANCHMSA-N 0 0 348.443 1.826 10 0 EDAERN Cc1ccc(-n2cc(C(=O)N3CC[C@@H](N4CCOCC4)C3)nn2)cc1 ZINC000172747451 442531637 /nfs/dbraw/zinc/53/16/37/442531637.db2.gz RGDJYPALOBYRJD-MRXNPFEDSA-N 0 0 341.415 1.122 10 0 EDAERN O=C(c1cnc(-c2ccco2)s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749467 442532953 /nfs/dbraw/zinc/53/29/53/442532953.db2.gz KJGNYBGODNRSJZ-GFCCVEGCSA-N 0 0 333.413 1.950 10 0 EDAERN C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CCS(=O)(=O)C1 ZINC000191889954 442533222 /nfs/dbraw/zinc/53/32/22/442533222.db2.gz UBNMQOIKEOOWPJ-GOEBONIOSA-N 0 0 338.473 1.052 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(-n2cnnc2)cc1 ZINC000135309433 442578928 /nfs/dbraw/zinc/57/89/28/442578928.db2.gz HQAUFSZWRDZSGR-HNNXBMFYSA-N 0 0 349.398 1.456 10 0 EDAERN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186682533 442591064 /nfs/dbraw/zinc/59/10/64/442591064.db2.gz PLFCNOBJHACCHG-ZFWWWQNUSA-N 0 0 325.453 1.162 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)CCS1 ZINC000180465569 442606260 /nfs/dbraw/zinc/60/62/60/442606260.db2.gz XMPJMLBHIMGWCD-NSHDSACASA-N 0 0 330.413 1.979 10 0 EDAERN CN(C)C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC000157719968 442607248 /nfs/dbraw/zinc/60/72/48/442607248.db2.gz ZXLBJKGQIMNBLJ-CQSZACIVSA-N 0 0 326.462 1.619 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cc(C)ccc3F)CCO2)[nH]1 ZINC000180225044 442561605 /nfs/dbraw/zinc/56/16/05/442561605.db2.gz AKZJBFCODDNDIX-CYBMUJFWSA-N 0 0 347.350 1.099 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000180227209 442561907 /nfs/dbraw/zinc/56/19/07/442561907.db2.gz KCELVCWVUJLMBV-CYBMUJFWSA-N 0 0 347.350 1.099 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000180223705 442562245 /nfs/dbraw/zinc/56/22/45/442562245.db2.gz BVQUFMVAUJSNNF-AWEZNQCLSA-N 0 0 343.387 1.214 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(C)C ZINC000179082926 442567757 /nfs/dbraw/zinc/56/77/57/442567757.db2.gz RVEHQLFRXGXSKG-CQSZACIVSA-N 0 0 333.432 1.809 10 0 EDAERN CCc1cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)ccc1C ZINC000180615327 442635006 /nfs/dbraw/zinc/63/50/06/442635006.db2.gz XROTUTLUIBVPEV-AWEZNQCLSA-N 0 0 327.388 1.219 10 0 EDAERN c1cnn(C[C@H]2CN(CCc3nc(-c4ccccc4)no3)CCO2)c1 ZINC000157986884 442635167 /nfs/dbraw/zinc/63/51/67/442635167.db2.gz BIZIEWSVEQAKNG-MRXNPFEDSA-N 0 0 339.399 1.877 10 0 EDAERN C[C@@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)N1CCOCC1 ZINC000158103362 442646342 /nfs/dbraw/zinc/64/63/42/442646342.db2.gz NJCHWAIGWJJXTR-ZDUSSCGKSA-N 0 0 331.416 1.029 10 0 EDAERN O=C(c1ccnc(OCC(F)F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000136087924 442649433 /nfs/dbraw/zinc/64/94/33/442649433.db2.gz BFNAHOVJPZDLGZ-CYBMUJFWSA-N 0 0 341.358 1.272 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1-n1cnnn1 ZINC000180725329 442652153 /nfs/dbraw/zinc/65/21/53/442652153.db2.gz NRCHBQRJLWZOKG-CZUORRHYSA-N 0 0 343.387 1.455 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc(C)nc2C)ncn1 ZINC000180486023 442610042 /nfs/dbraw/zinc/61/00/42/442610042.db2.gz PFFVCPFYDQHDCV-ZDUSSCGKSA-N 0 0 341.419 1.324 10 0 EDAERN Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000180532552 442617198 /nfs/dbraw/zinc/61/71/98/442617198.db2.gz GDYYGAWWMBPQPP-KRWDZBQOSA-N 0 0 328.416 1.904 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2cccc(NC(=O)N(C)C)c2)c1 ZINC000173201020 442622718 /nfs/dbraw/zinc/62/27/18/442622718.db2.gz GVGFTZGHRIAOLD-UHFFFAOYSA-N 0 0 344.419 1.784 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)[C@H]3CCO[C@H]3C)CC2)cn1 ZINC000135725133 442628306 /nfs/dbraw/zinc/62/83/06/442628306.db2.gz NKJUDIXIDBHSGV-WFASDCNBSA-N 0 0 327.450 1.590 10 0 EDAERN CC(C)[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1cccnc1 ZINC000187477579 442678408 /nfs/dbraw/zinc/67/84/08/442678408.db2.gz FSJZPRVGMHLHOW-INIZCTEOSA-N 0 0 330.432 1.741 10 0 EDAERN COc1cccc(C(C)(C)CNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187672771 442685527 /nfs/dbraw/zinc/68/55/27/442685527.db2.gz BTMJJVYKGDQTJX-UHFFFAOYSA-N 0 0 345.443 1.893 10 0 EDAERN CC[C@H](C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCCC1=O ZINC000187757130 442690931 /nfs/dbraw/zinc/69/09/31/442690931.db2.gz WOZJHTDMVRJTMM-SOUVJXGZSA-N 0 0 336.457 1.683 10 0 EDAERN CCc1nnc(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000181362676 442692399 /nfs/dbraw/zinc/69/23/99/442692399.db2.gz WXQBUPVBJXONNW-VIFPVBQESA-N 0 0 335.437 1.952 10 0 EDAERN Cc1cc(CN(C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)no1 ZINC000192858679 442693231 /nfs/dbraw/zinc/69/32/31/442693231.db2.gz OLXJCXWYZQVGRK-ZDUSSCGKSA-N 0 0 329.356 1.072 10 0 EDAERN NC(=O)c1coc(CNC(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000187986704 442701806 /nfs/dbraw/zinc/70/18/06/442701806.db2.gz DKABLHOCYPEQEA-UHFFFAOYSA-N 0 0 331.376 1.197 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000188051859 442705571 /nfs/dbraw/zinc/70/55/71/442705571.db2.gz FUFQQFNYKIYKGM-CYBMUJFWSA-N 0 0 339.403 1.277 10 0 EDAERN CCn1cc(C(=O)C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cn1 ZINC000136366161 442661062 /nfs/dbraw/zinc/66/10/62/442661062.db2.gz NLAZJZAZGCCGQI-GFCCVEGCSA-N 0 0 331.376 1.956 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2nccn2CC(C)C)CC1 ZINC000181834371 442718688 /nfs/dbraw/zinc/71/86/88/442718688.db2.gz XJIVVOZARYIDKR-HNNXBMFYSA-N 0 0 337.468 1.137 10 0 EDAERN COCCC[C@@H](C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000181844881 442719213 /nfs/dbraw/zinc/71/92/13/442719213.db2.gz TTYRZKXQPYMZAY-CQSZACIVSA-N 0 0 336.480 1.744 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)/C=C/c1cncc(O)c1)CC2 ZINC000181951708 442722946 /nfs/dbraw/zinc/72/29/46/442722946.db2.gz VKJOXBSTBIZCIT-YIALFULDSA-N 0 0 327.388 1.647 10 0 EDAERN C[C@@H](CNC(=O)NCc1nc2ccccc2n1C)N1CCOCC1 ZINC000193318840 442732801 /nfs/dbraw/zinc/73/28/01/442732801.db2.gz WJPVIRWPFFSENQ-ZDUSSCGKSA-N 0 0 331.420 1.093 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000193322252 442732933 /nfs/dbraw/zinc/73/29/33/442732933.db2.gz VUZVSRSHAAZHPS-GFCCVEGCSA-N 0 0 342.403 1.175 10 0 EDAERN CCOC(=O)[C@@H](CC(C)C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000182135768 442739274 /nfs/dbraw/zinc/73/92/74/442739274.db2.gz AIJYAVKPRCVNTH-CQSZACIVSA-N 0 0 346.435 1.224 10 0 EDAERN CO[C@@H](C)c1nc(C)c(C(=O)N2CC(NC(=O)C3CCC3)C2)s1 ZINC000188482721 442755238 /nfs/dbraw/zinc/75/52/38/442755238.db2.gz QHPVGTUFZNCLJX-JTQLQIEISA-N 0 0 337.445 1.900 10 0 EDAERN Cc1oncc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000181692998 442710006 /nfs/dbraw/zinc/71/00/06/442710006.db2.gz KMCYZOQMFSMSLD-QGZVFWFLSA-N 0 0 331.416 1.541 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000188097239 442710996 /nfs/dbraw/zinc/71/09/96/442710996.db2.gz SPLNUOAREWTEKH-XPTSAGLGSA-N 0 0 337.326 1.195 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)C[S@](C)=O ZINC000182613484 442795368 /nfs/dbraw/zinc/79/53/68/442795368.db2.gz JMBVTCSHOZLWGR-CHNHFMQUSA-N 0 0 326.466 1.650 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc(-c3cccs3)on2)C[C@H]1C ZINC000246607256 442796460 /nfs/dbraw/zinc/79/64/60/442796460.db2.gz BXVNNBGOMKBLFE-NEPJUHHUSA-N 0 0 335.429 1.930 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCc1nc2cccnc2[nH]1)C(C)C ZINC000188743025 442801733 /nfs/dbraw/zinc/80/17/33/442801733.db2.gz IRBMCUMHYFYGCP-HNNXBMFYSA-N 0 0 331.420 1.761 10 0 EDAERN C[C@@H](CS(C)(=O)=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188582756 442765285 /nfs/dbraw/zinc/76/52/85/442765285.db2.gz LZBSXFGBHNKLQD-LBPRGKRZSA-N 0 0 334.445 1.660 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cn(C(C)(C)C)nc1C)CC2 ZINC000182437768 442767013 /nfs/dbraw/zinc/76/70/13/442767013.db2.gz HDWPPQYNDURPIR-LBPRGKRZSA-N 0 0 330.436 1.845 10 0 EDAERN CCNS(=O)(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193955419 442817943 /nfs/dbraw/zinc/81/79/43/442817943.db2.gz DUASWZQIMBMOOM-SNVBAGLBSA-N 0 0 333.479 1.668 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCCc3ccc(C)nc3)CCO2)cn1 ZINC000188828598 442822641 /nfs/dbraw/zinc/82/26/41/442822641.db2.gz KOUHTNQGXQPJEL-KRWDZBQOSA-N 0 0 343.431 1.932 10 0 EDAERN COc1cc(C)ccc1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188893427 442837067 /nfs/dbraw/zinc/83/70/67/442837067.db2.gz IPZGIRGMVQGFLF-UHFFFAOYSA-N 0 0 331.416 1.814 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@H]1C ZINC000247142421 442838300 /nfs/dbraw/zinc/83/83/00/442838300.db2.gz ZTTIBFKXWYJTOD-HLLBOEOZSA-N 0 0 333.432 1.399 10 0 EDAERN COC(=O)[C@@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000194059117 442838492 /nfs/dbraw/zinc/83/84/92/442838492.db2.gz KUJFEZGGBAKPKN-LRDDRELGSA-N 0 0 348.424 1.899 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000189068452 442870629 /nfs/dbraw/zinc/87/06/29/442870629.db2.gz AGUPTJOHPMQIFA-NUEKZKHPSA-N 0 0 343.383 1.980 10 0 EDAERN CC(C)[C@@H](C(=O)N[C@H]1CCc2nccn2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000248218008 442885891 /nfs/dbraw/zinc/88/58/91/442885891.db2.gz HBOOAKIBACQEGS-AIANPOQGSA-N 0 0 334.464 1.448 10 0 EDAERN C[C@H](C[S@](C)=O)N(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248485526 442896752 /nfs/dbraw/zinc/89/67/52/442896752.db2.gz KSYCMCRFOONQPR-DMDKVIGKSA-N 0 0 332.466 1.469 10 0 EDAERN CO[C@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000249070339 442948854 /nfs/dbraw/zinc/94/88/54/442948854.db2.gz JOISICZJFNSCSM-HZSPNIEDSA-N 0 0 341.477 1.844 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)[C@H](C)C2 ZINC000248615548 442908265 /nfs/dbraw/zinc/90/82/65/442908265.db2.gz WYYGELQJYIOGNU-SHPPOPEUSA-N 0 0 331.416 1.560 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](CC)c2c(C)noc2C)CC1 ZINC000182053142 318496583 /nfs/dbraw/zinc/49/65/83/318496583.db2.gz JLYSULIBPJNJFP-GJZGRUSLSA-N 0 0 338.452 1.841 10 0 EDAERN COC(=O)[C@H](c1ccccc1C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248643588 442912569 /nfs/dbraw/zinc/91/25/69/442912569.db2.gz ZSYRQKQPDYPCTP-NXHRZFHOSA-N 0 0 332.444 1.862 10 0 EDAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194599681 442919818 /nfs/dbraw/zinc/91/98/18/442919818.db2.gz NLCATOJQOFAOES-QAPCUYQASA-N 0 0 348.443 1.422 10 0 EDAERN CC(=O)c1cccc(OCCCC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000194599870 442920629 /nfs/dbraw/zinc/92/06/29/442920629.db2.gz GUBJWNNWLHORAA-QGZVFWFLSA-N 0 0 334.416 1.495 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cnn(Cc3ccccc3Cl)c2)C1 ZINC000194625562 442927037 /nfs/dbraw/zinc/92/70/37/442927037.db2.gz YEHJVAGCKMWKRZ-OAHLLOKOSA-N 0 0 348.834 1.645 10 0 EDAERN CCc1ccc(N2C[C@H](C(=O)NC[C@H]3CN(C)CCO3)CC2=O)cc1 ZINC000194638446 442928766 /nfs/dbraw/zinc/92/87/66/442928766.db2.gz CXIBESNEODCSGM-WBVHZDCISA-N 0 0 345.443 1.049 10 0 EDAERN O=C(NCCNC(=O)c1ccccc1)N[C@H]1COc2ccccc21 ZINC000194683958 442937154 /nfs/dbraw/zinc/93/71/54/442937154.db2.gz JEPKHZFQIQEOSX-HNNXBMFYSA-N 0 0 325.368 1.849 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)/C=C/c3ncccc3C)CC2)no1 ZINC000183595447 442944343 /nfs/dbraw/zinc/94/43/43/442944343.db2.gz WLFVQFGKEBKPPJ-VOTSOKGWSA-N 0 0 341.415 1.829 10 0 EDAERN O=C(c1n[nH]nc1-c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000189443468 442954687 /nfs/dbraw/zinc/95/46/87/442954687.db2.gz KFACVWZMUWVSHW-AWEZNQCLSA-N 0 0 327.388 1.018 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccccc2F)n1 ZINC000183747239 442959616 /nfs/dbraw/zinc/95/96/16/442959616.db2.gz SZIOQNUAMBBOKN-NSHDSACASA-N 0 0 327.337 1.279 10 0 EDAERN O=C(NC1CN(C(=O)c2cccn2Cc2cccs2)C1)C1CC1 ZINC000189465580 442961681 /nfs/dbraw/zinc/96/16/81/442961681.db2.gz UTDVCHNGWURJQP-UHFFFAOYSA-N 0 0 329.425 1.949 10 0 EDAERN C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H](CO)O1 ZINC000249301401 442965909 /nfs/dbraw/zinc/96/59/09/442965909.db2.gz NPQNYSUVKFWNIW-DAXOMENPSA-N 0 0 329.824 1.299 10 0 EDAERN Cc1cc(F)ccc1-n1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000189510303 442969992 /nfs/dbraw/zinc/96/99/92/442969992.db2.gz SUABTJMPBNAYCA-UHFFFAOYSA-N 0 0 342.374 1.670 10 0 EDAERN CC(C)n1nnnc1CN1CCN(CCOc2ccccc2)CC1 ZINC000195027830 442977042 /nfs/dbraw/zinc/97/70/42/442977042.db2.gz SIHLNBPXWZCEBX-UHFFFAOYSA-N 0 0 330.436 1.451 10 0 EDAERN c1c[nH]c([C@H](N[C@H]2CCCN(c3cccnn3)C2)c2cccnc2)n1 ZINC000195071095 442980991 /nfs/dbraw/zinc/98/09/91/442980991.db2.gz DSBOMCQDNFCOQN-DOTOQJQBSA-N 0 0 335.415 1.943 10 0 EDAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CC[C@H](Oc2cccnc2)C1 ZINC000189433150 442951692 /nfs/dbraw/zinc/95/16/92/442951692.db2.gz BWDYDVFCYDWQFX-RDJZCZTQSA-N 0 0 338.367 1.650 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N[C@@]1(CO)CCOC1 ZINC000184255459 443005871 /nfs/dbraw/zinc/00/58/71/443005871.db2.gz KMFSWQDUMBESCC-GXTWGEPZSA-N 0 0 332.322 1.611 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000189954983 443037157 /nfs/dbraw/zinc/03/71/57/443037157.db2.gz WZTYDRVGGJZYLA-UHFFFAOYSA-N 0 0 331.351 1.041 10 0 EDAERN Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)[C@@H]2CCO[C@@H]2C)c(C)[nH]1 ZINC000252549634 443042780 /nfs/dbraw/zinc/04/27/80/443042780.db2.gz RLNZVEZXSHARIZ-BPQIPLTHSA-N 0 0 349.475 1.716 10 0 EDAERN CCCCCS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000184597007 443046893 /nfs/dbraw/zinc/04/68/93/443046893.db2.gz AUIXXOZTCKHIKF-UHFFFAOYSA-N 0 0 330.454 1.406 10 0 EDAERN O=C(NCc1ccnc(N2CCCC2)n1)c1ccc2c(c1)OCO2 ZINC000224198681 443097021 /nfs/dbraw/zinc/09/70/21/443097021.db2.gz ZROJBCSQFPABKU-UHFFFAOYSA-N 0 0 326.356 1.736 10 0 EDAERN C[C@@]1(C(=O)N2CCN3CCCC[C@H]3C2)Cc2ccccc2C(=O)O1 ZINC000253359224 443050292 /nfs/dbraw/zinc/05/02/92/443050292.db2.gz KGPUAFWTMQEIIL-KXBFYZLASA-N 0 0 328.412 1.855 10 0 EDAERN O=C(CCO)N(CCO[C@H]1CCCCO1)CCO[C@H]1CCCCO1 ZINC000217457425 443056993 /nfs/dbraw/zinc/05/69/93/443056993.db2.gz IHERBTZYQKVXDT-IRXDYDNUSA-N 0 0 345.436 1.284 10 0 EDAERN COC(=O)Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000190140614 443062817 /nfs/dbraw/zinc/06/28/17/443062817.db2.gz PXHQVBZTQJNJNR-MRXNPFEDSA-N 0 0 341.411 1.909 10 0 EDAERN Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c(C)n1Cc1cccs1 ZINC000184716677 443065033 /nfs/dbraw/zinc/06/50/33/443065033.db2.gz GWCWIKYLNLGDQE-CABCVRRESA-N 0 0 348.468 1.825 10 0 EDAERN CCN(CCNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1C ZINC000190247812 443076999 /nfs/dbraw/zinc/07/69/99/443076999.db2.gz FWPPLEABBIUHMU-UHFFFAOYSA-N 0 0 344.459 1.741 10 0 EDAERN Cn1ccc2cccc(NC(=O)C(=O)N3CCN4CCCC[C@@H]4C3)c21 ZINC000190550511 443135012 /nfs/dbraw/zinc/13/50/12/443135012.db2.gz NJGVKRMYFVULJQ-OAHLLOKOSA-N 0 0 340.427 1.814 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)NOC[C@@H]3CCOC3)CC2)s1 ZINC000190435274 443108702 /nfs/dbraw/zinc/10/87/02/443108702.db2.gz ZGFGPLASAZATKB-CYBMUJFWSA-N 0 0 340.449 1.247 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H](C)c2ccc(Br)s2)C1 ZINC000190446693 443111248 /nfs/dbraw/zinc/11/12/48/443111248.db2.gz PUZLNSRBOHFZSY-SSDOTTSWSA-N 0 0 331.235 1.961 10 0 EDAERN COc1ccccc1C1(CNC(=O)NC[C@H]2CN(C)CCO2)CCC1 ZINC000184983925 443111289 /nfs/dbraw/zinc/11/12/89/443111289.db2.gz ANCAQUUBDKIXRU-HNNXBMFYSA-N 0 0 347.459 1.747 10 0 EDAERN CN(C(=O)c1c[nH]nc1C1CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000190458493 443112601 /nfs/dbraw/zinc/11/26/01/443112601.db2.gz NCXCLGVTGGUSHT-CYBMUJFWSA-N 0 0 326.404 1.818 10 0 EDAERN C[C@H]1CCCN1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000185000558 443115585 /nfs/dbraw/zinc/11/55/85/443115585.db2.gz NELSTPFJCFQHJX-UONOGXRCSA-N 0 0 339.465 1.106 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000185012899 443117903 /nfs/dbraw/zinc/11/79/03/443117903.db2.gz YCWKTGIOJZJAAB-RDJZCZTQSA-N 0 0 347.459 1.998 10 0 EDAERN CCn1cc([C@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)cn1 ZINC000190769513 443180055 /nfs/dbraw/zinc/18/00/55/443180055.db2.gz RDKQZLNTZHWPFV-CVEARBPZSA-N 0 0 332.379 1.642 10 0 EDAERN C[C@@H](NC(=O)NCc1nc(COc2ccccc2)n[nH]1)[C@@H]1CCCO1 ZINC000185168080 443153340 /nfs/dbraw/zinc/15/33/40/443153340.db2.gz YAMGDFPTDARPRS-OCCSQVGLSA-N 0 0 345.403 1.750 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000185186732 443157816 /nfs/dbraw/zinc/15/78/16/443157816.db2.gz CMGLWSKAUYYMCR-CYBMUJFWSA-N 0 0 348.353 1.891 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000190666301 443159997 /nfs/dbraw/zinc/15/99/97/443159997.db2.gz PURRSOHOQFFJAY-GFCCVEGCSA-N 0 0 331.416 1.660 10 0 EDAERN Cc1ccc(Br)nc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000190669947 443160881 /nfs/dbraw/zinc/16/08/81/443160881.db2.gz UYQXMZRQITZWHQ-SNVBAGLBSA-N 0 0 328.210 1.213 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000190676183 443162225 /nfs/dbraw/zinc/16/22/25/443162225.db2.gz LKESVDQXXOHMMQ-MRVPVSSYSA-N 0 0 327.743 1.155 10 0 EDAERN O=C(CNC(=O)N1CCSC[C@H]1c1nccs1)NCC1CC1 ZINC000185634291 443230048 /nfs/dbraw/zinc/23/00/48/443230048.db2.gz IVMSPUDODUOGJH-NSHDSACASA-N 0 0 340.474 1.469 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)C[C@H](C)O ZINC000245481314 443230951 /nfs/dbraw/zinc/23/09/51/443230951.db2.gz CGUXFOCRBMZWLD-STQMWFEESA-N 0 0 334.482 1.104 10 0 EDAERN FC(F)(F)Cn1nnnc1CN1CCC(Nc2cccnn2)CC1 ZINC000190865421 443198778 /nfs/dbraw/zinc/19/87/78/443198778.db2.gz LCIORQOSWCSUGD-UHFFFAOYSA-N 0 0 342.329 1.102 10 0 EDAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000190867642 443200007 /nfs/dbraw/zinc/20/00/07/443200007.db2.gz LJILYNGKSNFFCW-GFCCVEGCSA-N 0 0 348.827 1.909 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](CO)Cc1ccc(C)cc1 ZINC000190945210 443212378 /nfs/dbraw/zinc/21/23/78/443212378.db2.gz YCFKUKXZKGJXLD-ZWKOTPCHSA-N 0 0 334.460 1.516 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)C1 ZINC000185542196 443216454 /nfs/dbraw/zinc/21/64/54/443216454.db2.gz ULCZXXKKLRXMFK-CQSZACIVSA-N 0 0 333.432 1.391 10 0 EDAERN CCS(=O)(=O)N1CCC([N@H+](CCC2CCCC2)CC(=O)[O-])CC1 ZINC000262974865 443218775 /nfs/dbraw/zinc/21/87/75/443218775.db2.gz SOJJSJWADNPYIP-UHFFFAOYSA-N 0 0 346.493 1.767 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000191153388 443249373 /nfs/dbraw/zinc/24/93/73/443249373.db2.gz HVRXAIMQLHHVEU-LBPRGKRZSA-N 0 0 329.404 1.416 10 0 EDAERN O=C(CCc1cccc2c1OCO2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000185802368 443259801 /nfs/dbraw/zinc/25/98/01/443259801.db2.gz VUSLKOHJAVLACK-CQSZACIVSA-N 0 0 342.399 1.878 10 0 EDAERN CC[C@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)Oc1ccccc1F ZINC000191439296 443294332 /nfs/dbraw/zinc/29/43/32/443294332.db2.gz DZGCFESZCPWLPJ-QWHCGFSZSA-N 0 0 337.395 1.903 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000191339722 443281084 /nfs/dbraw/zinc/28/10/84/443281084.db2.gz VEURKNXSXRCCED-UHFFFAOYSA-N 0 0 337.379 1.639 10 0 EDAERN CCSCc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)no1 ZINC000185911568 443281583 /nfs/dbraw/zinc/28/15/83/443281583.db2.gz YBZPKGOJPYTYDQ-OLZOCXBDSA-N 0 0 341.477 1.845 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000191344470 443282128 /nfs/dbraw/zinc/28/21/28/443282128.db2.gz NBYLSQOOYNKKBR-UHFFFAOYSA-N 0 0 330.171 1.279 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCCCOCCc1ccccc1 ZINC000191216633 443260880 /nfs/dbraw/zinc/26/08/80/443260880.db2.gz QFMUPZCOIJJUFQ-INIZCTEOSA-N 0 0 347.459 1.946 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C[C@H]1C ZINC000246009337 443262439 /nfs/dbraw/zinc/26/24/39/443262439.db2.gz ZGTZEGAHTKDUGE-AGIUHOORSA-N 0 0 339.461 1.522 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)C1 ZINC000191509752 443305106 /nfs/dbraw/zinc/30/51/06/443305106.db2.gz IQCDOTOXDDTNFX-UHFFFAOYSA-N 0 0 331.416 1.940 10 0 EDAERN Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000328640162 444409214 /nfs/dbraw/zinc/40/92/14/444409214.db2.gz XFTQUJXOPQITJM-HUUCEWRRSA-N 0 0 340.445 1.742 10 0 EDAERN Cn1ccc(C(=O)N2CCC[C@H](Nc3ccc(N)nc3)CC2)cc1=O ZINC000328655606 444417439 /nfs/dbraw/zinc/41/74/39/444417439.db2.gz YNOJJZNVBSWDJA-AWEZNQCLSA-N 0 0 341.415 1.469 10 0 EDAERN Cn1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)c(-c2ccoc2)n1 ZINC000370509302 446312261 /nfs/dbraw/zinc/31/22/61/446312261.db2.gz TXMVNGZOGDONKI-AWEZNQCLSA-N 0 0 330.388 1.227 10 0 EDAERN COc1ccc(C2(C(=O)N3C[C@H](CO)[C@H](O)C3)CC3(CCC3)C2)cc1 ZINC000575603391 447866166 /nfs/dbraw/zinc/86/61/66/447866166.db2.gz DWFNTSUSXUMATJ-RHSMWYFYSA-N 0 0 345.439 1.709 10 0 EDAERN CCOC(=O)Cc1cc(I)c(N)cc1OC ZINC000575724374 447882734 /nfs/dbraw/zinc/88/27/34/447882734.db2.gz DDUMXLCMGKBPER-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN Cc1ccc(F)c(CC(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 ZINC000570366431 447993798 /nfs/dbraw/zinc/99/37/98/447993798.db2.gz DUHJFSLEGHCQFZ-RKVPGOIHSA-N 0 0 334.391 1.619 10 0 EDAERN CC(C)n1cc([C@@]2(O)CCN(Cc3noc4c3CCCC4)C2)nn1 ZINC000583618368 448446453 /nfs/dbraw/zinc/44/64/53/448446453.db2.gz QCLOSQSFUPMBIO-QGZVFWFLSA-N 0 0 331.420 1.819 10 0 EDAERN CC(C)n1cc([C@]2(O)CCN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1 ZINC000583618881 448448334 /nfs/dbraw/zinc/44/83/34/448448334.db2.gz WZRFIDDDSGDSIE-KRWDZBQOSA-N 0 0 344.419 1.195 10 0 EDAERN COCCC1(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000583618999 448448667 /nfs/dbraw/zinc/44/86/67/448448667.db2.gz SBFALOWZWQIDFA-QGZVFWFLSA-N 0 0 336.436 1.486 10 0 EDAERN O=C(CCn1cnc2ccccc21)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583621373 448452224 /nfs/dbraw/zinc/45/22/24/448452224.db2.gz XYGZERUUGKKQPH-QGZVFWFLSA-N 0 0 340.387 1.055 10 0 EDAERN O=C([O-])[C@H]1C[C@H](N2CC[NH2+]CC2)CN(C(=O)OCc2ccccc2)C1 ZINC000536960537 448548311 /nfs/dbraw/zinc/54/83/11/448548311.db2.gz WFCUHUXEDPAYRD-HOTGVXAUSA-N 0 0 347.415 1.004 10 0 EDAERN CC(C)Oc1cc2c(ccnc2OC[C@H]2CNC(=O)C2)cc1C(N)=O ZINC000584639763 448587463 /nfs/dbraw/zinc/58/74/63/448587463.db2.gz MFFMBAYGGJMRBN-LLVKDONJSA-N 0 0 343.383 1.636 10 0 EDAERN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cn(C)nc2C)C1 ZINC000548345717 449027728 /nfs/dbraw/zinc/02/77/28/449027728.db2.gz RZZMMQHZPYZRHH-INIZCTEOSA-N 0 0 333.461 1.731 10 0 EDAERN O=C1N[C@@H]2C=CC(Br)=C[C@@H]2[C@]12NC(=O)c1ccccc1N2 ZINC000616593406 450454537 /nfs/dbraw/zinc/45/45/37/450454537.db2.gz VPRHSTWLWOOMOP-NVBFEUDRSA-N 0 0 346.184 1.501 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2cccnc2N)C1 ZINC000616663627 450458873 /nfs/dbraw/zinc/45/88/73/450458873.db2.gz LTGPRPWOYAJGBO-CYBMUJFWSA-N 0 0 336.436 1.604 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616678998 450459467 /nfs/dbraw/zinc/45/94/67/450459467.db2.gz AJZFVRHUDNYSGB-SNVBAGLBSA-N 0 0 342.421 1.015 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccc(Br)c(F)c1 ZINC000633925898 451105578 /nfs/dbraw/zinc/10/55/78/451105578.db2.gz IXOGZPNFSTVYQY-NSHDSACASA-N 0 0 345.212 1.991 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccc(F)c(Br)c1 ZINC000633924935 451106112 /nfs/dbraw/zinc/10/61/12/451106112.db2.gz ROMKIFXRDRYXHZ-NSHDSACASA-N 0 0 345.212 1.991 10 0 EDAERN Cc1ccc(C(=O)N[C@H]2CCC(=O)N[C@H]2C)cc1N1CCOCC1 ZINC000630356236 451129647 /nfs/dbraw/zinc/12/96/47/451129647.db2.gz NUUDMFJRCDWMNP-ZFWWWQNUSA-N 0 0 331.416 1.229 10 0 EDAERN Cc1ccccc1-n1nccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[NH2+]C1 ZINC000630691152 451343500 /nfs/dbraw/zinc/34/35/00/451343500.db2.gz GRRYWXGQTJEZNZ-OLZOCXBDSA-N 0 0 328.372 1.572 10 0 EDAERN O=C(COc1ccc(F)cc1Br)N[C@H]1CCOC[C@@H]1O ZINC000629220891 451600815 /nfs/dbraw/zinc/60/08/15/451600815.db2.gz PVSHMLOFEWBJFP-QWRGUYRKSA-N 0 0 348.168 1.233 10 0 EDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cl)cc(Br)c1 ZINC000629236991 451611306 /nfs/dbraw/zinc/61/13/06/451611306.db2.gz URAHAZNXCUNERK-QWRGUYRKSA-N 0 0 334.597 1.982 10 0 EDAERN Cn1cc([C@@H]2OCC[C@H]2CNC(=O)c2cn(C)nc2C2CC2)cn1 ZINC000643670878 452450261 /nfs/dbraw/zinc/45/02/61/452450261.db2.gz CFWMPIOAKBDHNV-BLLLJJGKSA-N 0 0 329.404 1.539 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)N(C)C3CCCCC3)C[C@@H](C)O2)o1 ZINC000661933165 452687985 /nfs/dbraw/zinc/68/79/85/452687985.db2.gz RRJMUEJCVZCJAH-IUODEOHRSA-N 0 0 336.436 1.931 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNc1ccc(C(=O)N(C)C)nn1 ZINC000664378121 453047986 /nfs/dbraw/zinc/04/79/86/453047986.db2.gz WFCYVZBMQUJEJW-SWLSCSKDSA-N 0 0 344.419 1.585 10 0 EDAERN Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000074774948 486798468 /nfs/dbraw/zinc/79/84/68/486798468.db2.gz CEMBBWJSBHCOHU-HNNXBMFYSA-N 0 0 326.462 1.563 10 0 EDAERN COc1cccc2c1CCN(C(=O)N[C@@H]1CCc3ncnn3C1)C2 ZINC000183892529 533856705 /nfs/dbraw/zinc/85/67/05/533856705.db2.gz XJKJGWADTLSYNK-CYBMUJFWSA-N 0 0 327.388 1.369 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@@H]1N1CCOCC1 ZINC000173857541 533871990 /nfs/dbraw/zinc/87/19/90/533871990.db2.gz WDCMAKNXBMEWOC-YOEHRIQHSA-N 0 0 341.415 1.060 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1ccc(N)c2ccccc21)[S@](C)=O ZINC000165524512 534075821 /nfs/dbraw/zinc/07/58/21/534075821.db2.gz IALMQQVDYLZUBG-WVDJIFEKSA-N 0 0 326.443 1.467 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCC1([C@H](O)c2ccccc2)CC1)C(C)C ZINC000155887301 534139351 /nfs/dbraw/zinc/13/93/51/534139351.db2.gz IBUKXSJSMYUNSY-HUUCEWRRSA-N 0 0 334.416 1.997 10 0 EDAERN COC(=O)c1ccc(F)c(CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000181929493 534169219 /nfs/dbraw/zinc/16/92/19/534169219.db2.gz IMYPWYWFDMCBGW-HNNXBMFYSA-N 0 0 333.363 1.710 10 0 EDAERN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C[C@H](O)C(C)C)cc1 ZINC000129194822 534202312 /nfs/dbraw/zinc/20/23/12/534202312.db2.gz NHICWYLRZFZHMU-HIFRSBDPSA-N 0 0 327.446 1.680 10 0 EDAERN COc1ccc(OC)c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173815028 534226770 /nfs/dbraw/zinc/22/67/70/534226770.db2.gz IGMDWXMHPSSXSV-XJKSGUPXSA-N 0 0 334.416 1.497 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)C[C@@H]1N1CCOCC1 ZINC000173855704 534306976 /nfs/dbraw/zinc/30/69/76/534306976.db2.gz AHMXXZZGYRZFJP-UNEWFSDZSA-N 0 0 343.427 1.292 10 0 EDAERN FC(F)(F)Cn1nnnc1CN1CCC(Cn2cccn2)CC1 ZINC000190868071 534399940 /nfs/dbraw/zinc/39/99/40/534399940.db2.gz ZKKYHVPVAQHNER-UHFFFAOYSA-N 0 0 329.330 1.344 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)C[C@@H]1N1CCOCC1 ZINC000173854492 534426522 /nfs/dbraw/zinc/42/65/22/534426522.db2.gz HCLGWDYGHOHDNK-ZBFHGGJFSA-N 0 0 346.427 1.641 10 0 EDAERN Cc1nc2ccccc2n1CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190044136 534686641 /nfs/dbraw/zinc/68/66/41/534686641.db2.gz KBMBWVTZMQXGMM-UHFFFAOYSA-N 0 0 341.415 1.265 10 0 EDAERN O=C(c1ccc(Br)cc1Cl)N1CCOC[C@H]1CO ZINC000168455716 534692925 /nfs/dbraw/zinc/69/29/25/534692925.db2.gz UPSJWPZPIGOHQB-SECBINFHSA-N 0 0 334.597 1.936 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000178373353 534746181 /nfs/dbraw/zinc/74/61/81/534746181.db2.gz IYYULJCSNGERTQ-UHFFFAOYSA-N 0 0 334.401 1.343 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cccc2cnccc21 ZINC000176750118 534871012 /nfs/dbraw/zinc/87/10/12/534871012.db2.gz AZQVFKPNVZLJQN-ZDUSSCGKSA-N 0 0 329.385 1.640 10 0 EDAERN O=c1[n-]cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1Br ZINC000164302186 534890072 /nfs/dbraw/zinc/89/00/72/534890072.db2.gz NJJYLOANDKQGIT-SNVBAGLBSA-N 0 0 327.226 1.501 10 0 EDAERN CN1CCO[C@@H](CNC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000249558359 536435896 /nfs/dbraw/zinc/43/58/96/536435896.db2.gz KTNUDFYVOYDJMT-KBPBESRZSA-N 0 0 346.349 1.056 10 0 EDAERN CC(C)(C)OC(=O)NCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187699097 526440261 /nfs/dbraw/zinc/44/02/61/526440261.db2.gz DQIJBNMMYILYMJ-STQMWFEESA-N 0 0 340.445 1.807 10 0 EDAERN CC(=O)NC1(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CCCCC1 ZINC000173863428 526692942 /nfs/dbraw/zinc/69/29/42/526692942.db2.gz VLDAUNMQTUCANX-HOCLYGCPSA-N 0 0 337.464 1.005 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000189826005 526710912 /nfs/dbraw/zinc/71/09/12/526710912.db2.gz OVZKIZBENBAZAU-SECBINFHSA-N 0 0 327.331 1.879 10 0 EDAERN CC(C)C(=O)N1CCC(NC(=O)N[C@H]2CCCC[C@H]2CO)CC1 ZINC000175924237 527464938 /nfs/dbraw/zinc/46/49/38/527464938.db2.gz LAURNMCBFFCTNE-ZFWWWQNUSA-N 0 0 325.453 1.484 10 0 EDAERN CC(C)C(=O)Nc1nc(CC(=O)N[C@H]2CCCC[C@H]2O)cs1 ZINC000130320900 527549875 /nfs/dbraw/zinc/54/98/75/527549875.db2.gz CSQUBNGKIVUVJL-NWDGAFQWSA-N 0 0 325.434 1.700 10 0 EDAERN CC(C)CCC[C@H](C)NC(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176563273 527706076 /nfs/dbraw/zinc/70/60/76/527706076.db2.gz ZSSOITNYYOFGEJ-NPMABZOXSA-N 0 0 343.497 1.834 10 0 EDAERN CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCc3cc(F)ccc32)C1=O ZINC000153262906 527786167 /nfs/dbraw/zinc/78/61/67/527786167.db2.gz HOMWWIJYPIZKHZ-ZDUSSCGKSA-N 0 0 333.363 1.650 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000154661464 527983514 /nfs/dbraw/zinc/98/35/14/527983514.db2.gz QPULEBQJZOKAQR-UHFFFAOYSA-N 0 0 327.384 1.704 10 0 EDAERN CCCN(CC)c1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000174354787 528007258 /nfs/dbraw/zinc/00/72/58/528007258.db2.gz GHGVTZLPTBPWNY-HZPDHXFCSA-N 0 0 348.491 1.845 10 0 EDAERN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C(N)=O)C(C)C ZINC000184592772 528079543 /nfs/dbraw/zinc/07/95/43/528079543.db2.gz IFFKQEWVVWKUBN-AWEZNQCLSA-N 0 0 334.420 1.800 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)Cc1ccccc1)CC2 ZINC000159343305 528338641 /nfs/dbraw/zinc/33/86/41/528338641.db2.gz HLRQVKIHZCMATQ-CQSZACIVSA-N 0 0 334.445 1.836 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC(c3cnn(CC)c3)CC2)C1 ZINC000151685925 528346440 /nfs/dbraw/zinc/34/64/40/528346440.db2.gz NPBVLEAXSCHEHD-MRXNPFEDSA-N 0 0 347.463 1.803 10 0 EDAERN CCNc1ncc(S(=O)(=O)N2CC[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000168460547 528449131 /nfs/dbraw/zinc/44/91/31/528449131.db2.gz JAHUCMJWBLWWFE-NXEZZACHSA-N 0 0 333.841 1.558 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@@](C)(O)c1ccco1)CC2 ZINC000181750034 528474482 /nfs/dbraw/zinc/47/44/82/528474482.db2.gz WYDKMZIZGOURHB-YVEFUNNKSA-N 0 0 347.419 1.516 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000135115255 528546878 /nfs/dbraw/zinc/54/68/78/528546878.db2.gz HCPRMSLOQDAWRV-ZDUSSCGKSA-N 0 0 334.420 1.493 10 0 EDAERN CC(C)C[C@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168906860 528603288 /nfs/dbraw/zinc/60/32/88/528603288.db2.gz BZCLVGQJIOKUOT-GFCCVEGCSA-N 0 0 340.221 1.717 10 0 EDAERN CC(C)Cn1c(-c2snnc2C(C)C)nnc1S(N)(=O)=O ZINC000158470349 528690890 /nfs/dbraw/zinc/69/08/90/528690890.db2.gz HKYXPTNWHCFZBY-UHFFFAOYSA-N 0 0 330.439 1.223 10 0 EDAERN CCCCc1ccc(CC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154149823 529020387 /nfs/dbraw/zinc/02/03/87/529020387.db2.gz JNADTCXIDCLNBK-SFHVURJKSA-N 0 0 334.460 1.381 10 0 EDAERN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000158295803 529169136 /nfs/dbraw/zinc/16/91/36/529169136.db2.gz FEOPQHZKSXSLDX-SWLSCSKDSA-N 0 0 325.430 1.706 10 0 EDAERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000183774650 529224966 /nfs/dbraw/zinc/22/49/66/529224966.db2.gz NCBIEHQUUUDQAW-MRXNPFEDSA-N 0 0 333.432 1.495 10 0 EDAERN CC[C@](C)(C(N)=S)C(=O)N1CCSC[C@@H]1S(=O)(=O)CC ZINC000136390441 529355155 /nfs/dbraw/zinc/35/51/55/529355155.db2.gz FWLAANBJGWYWRN-JOYOIKCWSA-N 0 0 338.520 1.025 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)CC2 ZINC000195259738 535027427 /nfs/dbraw/zinc/02/74/27/535027427.db2.gz JONRHWAVPNEDPJ-GFCCVEGCSA-N 0 0 335.452 1.385 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000175193626 535430571 /nfs/dbraw/zinc/43/05/71/535430571.db2.gz LFZILSROLMQOEX-HNNXBMFYSA-N 0 0 342.403 1.897 10 0 EDAERN CCc1noc([C@H](C)N2CCN([C@@H](C)C(=O)N[C@H](C)CC)CC2)n1 ZINC000247207059 535897516 /nfs/dbraw/zinc/89/75/16/535897516.db2.gz PKZFFNOFWQVKRT-RDBSUJKOSA-N 0 0 337.468 1.614 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCc1c[nH]nc1C)CC2 ZINC000114908066 536163361 /nfs/dbraw/zinc/16/33/61/536163361.db2.gz QTQRWFOUZLHANZ-CYBMUJFWSA-N 0 0 331.424 1.119 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000105816276 536298950 /nfs/dbraw/zinc/29/89/50/536298950.db2.gz PWKPFLGRBFNFIM-UHFFFAOYSA-N 0 0 340.431 1.820 10 0 EDAERN COCc1ccc(CNC(=O)CN2CCC[C@H](NC(C)=O)C2)cc1 ZINC000077170144 536771267 /nfs/dbraw/zinc/77/12/67/536771267.db2.gz VQTTUPMIOZMGCH-KRWDZBQOSA-N 0 0 333.432 1.050 10 0 EDAERN CC(C)(C)OC(=O)N1CCC2(CCO[C@@H]2CS(N)(=O)=O)CC1 ZINC000757214549 579965828 /nfs/dbraw/zinc/96/58/28/579965828.db2.gz YPINBKSPSSQOQL-LLVKDONJSA-N 0 0 334.438 1.081 10 0 EDAERN Cc1ccc(CN2CC[C@](O)(c3cn[nH]n3)C2)c(Br)c1 ZINC000794018064 580865357 /nfs/dbraw/zinc/86/53/57/580865357.db2.gz YQHMKQGFYKGDEN-CQSZACIVSA-N 0 0 337.221 1.969 10 0 EDAERN COc1cccc(C(C)=CC(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000794078222 580871939 /nfs/dbraw/zinc/87/19/39/580871939.db2.gz RDUVMUSOHGTMBS-GWCFYCIZSA-N 0 0 342.399 1.727 10 0 EDAERN O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccc([C@@H]2CCC[NH2+]2)nn1 ZINC000888076046 590929990 /nfs/dbraw/zinc/92/99/90/590929990.db2.gz RTNXVDDCZOYRFO-ZDUSSCGKSA-N 0 0 336.392 1.982 10 0 EDAERN CO[C@H]1CCCCN(CC(=O)N2CCC(n3ccnc3)CC2)C1=O ZINC000888076316 590930282 /nfs/dbraw/zinc/93/02/82/590930282.db2.gz YSIDLTBIGVZMDR-HNNXBMFYSA-N 0 0 334.420 1.074 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)Nc2nc3ccc(F)cc3n2C)C1=O ZINC000888076441 590931036 /nfs/dbraw/zinc/93/10/36/590931036.db2.gz KPODJCXQTWEFLV-CQSZACIVSA-N 0 0 348.378 1.678 10 0 EDAERN Cc1c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cnn1-c1ccccc1 ZINC000888077081 590932279 /nfs/dbraw/zinc/93/22/79/590932279.db2.gz IARIJPMZZOWTFD-GVDBMIGSSA-N 0 0 337.383 1.482 10 0 EDAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)CCOc2ccccc2F)c1 ZINC000888077263 590932358 /nfs/dbraw/zinc/93/23/58/590932358.db2.gz XPGBXRITTVCGNT-JJRVBVJISA-N 0 0 333.363 1.590 10 0 EDAERN Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)[nH]1 ZINC000888094650 591024636 /nfs/dbraw/zinc/02/46/36/591024636.db2.gz GWZSMBIAMNUMFX-ZIAGYGMSSA-N 0 0 345.447 1.595 10 0 EDAERN O=C(NC[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O)c1ccc(Cl)cc1F ZINC000888095178 591024996 /nfs/dbraw/zinc/02/49/96/591024996.db2.gz MAGUDMCDPLUKKW-ZDMBXUJBSA-N 0 0 338.770 1.882 10 0 EDAERN COc1cccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1C ZINC000888094886 591025504 /nfs/dbraw/zinc/02/55/04/591025504.db2.gz FIJCQHNHWWWHGV-LXZKKBNFSA-N 0 0 332.400 1.560 10 0 EDAERN COc1nc(C)ncc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888095256 591025768 /nfs/dbraw/zinc/02/57/68/591025768.db2.gz VXRSNFWAPGSEPG-UONOGXRCSA-N 0 0 331.376 1.257 10 0 EDAERN Cn1cc([C@@H]2[C@@H](CNc3ccncc3Cl)CCC(=O)N2C)cn1 ZINC000888102954 591031302 /nfs/dbraw/zinc/03/13/02/591031302.db2.gz WOTPPOMZUPOBFW-BZNIZROVSA-N 0 0 333.823 1.912 10 0 EDAERN Cn1cc([C@@H]2[C@@H](CNc3nnc(C4CC4)o3)CCC(=O)N2C)cn1 ZINC000888102900 591031652 /nfs/dbraw/zinc/03/16/52/591031652.db2.gz TZFUACCBAJJHMY-RISCZKNCSA-N 0 0 330.392 1.702 10 0 EDAERN O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N1CCC(c2cc[nH]n2)CC1 ZINC000896490257 591477410 /nfs/dbraw/zinc/47/74/10/591477410.db2.gz UJLLWWPSUAMMOE-HOCLYGCPSA-N 0 0 349.431 1.816 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000895048683 591543761 /nfs/dbraw/zinc/54/37/61/591543761.db2.gz HKUKADJPOBNDMN-MQYQWHSLSA-N 0 0 325.384 1.805 10 0 EDAERN COc1cccc(Cl)c1CNC(=O)[C@H]1Cn2c(C)nnc2CN1 ZINC000818215116 593684146 /nfs/dbraw/zinc/68/41/46/593684146.db2.gz YFNQPLSLCWWUIC-GFCCVEGCSA-N 0 0 335.795 1.037 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC2(C1)OCCO2 ZINC000104121884 594841793 /nfs/dbraw/zinc/84/17/93/594841793.db2.gz AYIWKRGTVQWHCM-ZBFHGGJFSA-N 0 0 346.427 1.807 10 0 EDAERN S=c1n(CN2CCO[C@H]3CCCC[C@@H]32)nnn1C1CCOCC1 ZINC000106062473 595080372 /nfs/dbraw/zinc/08/03/72/595080372.db2.gz OYPPWPNLBGDRTR-KBPBESRZSA-N 0 0 339.465 1.761 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCc1cccc(N2CCOC2=O)c1)C(C)C ZINC000101933297 595264980 /nfs/dbraw/zinc/26/49/80/595264980.db2.gz AAGMKJZJWXHRHK-CQSZACIVSA-N 0 0 349.387 1.640 10 0 EDAERN Cn1cc([C@@H]2[C@@H](C(=O)OCCOC(C)(C)C)CCC(=O)N2C)cn1 ZINC000115737942 595667705 /nfs/dbraw/zinc/66/77/05/595667705.db2.gz FKHVFUWWYFQZKH-DZGCQCFKSA-N 0 0 337.420 1.688 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3nc(C(C)(C)C)ccc3=O)CCO2)c1 ZINC000112071399 596016681 /nfs/dbraw/zinc/01/66/81/596016681.db2.gz PWSYDVRLKNJXPU-HNNXBMFYSA-N 0 0 345.447 1.404 10 0 EDAERN C[C@@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@@H](C(N)=O)O1 ZINC000122351344 596352939 /nfs/dbraw/zinc/35/29/39/596352939.db2.gz VLFVPNUIEVIYRM-DIFFPNOSSA-N 0 0 342.395 1.356 10 0 EDAERN O=S(=O)(c1c(Cl)nc2sccn21)N1CC[C@H](CCO)C1 ZINC000122883707 596708821 /nfs/dbraw/zinc/70/88/21/596708821.db2.gz XCXJCZMXITWIAL-MRVPVSSYSA-N 0 0 335.838 1.442 10 0 EDAERN CN(CCS(C)(=O)=O)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120965300 596836767 /nfs/dbraw/zinc/83/67/67/596836767.db2.gz BQYOVXXJQSFCEJ-ZDUSSCGKSA-N 0 0 330.837 1.809 10 0 EDAERN OCCC[C@@H]1CCCN1c1ncc(I)cn1 ZINC000126296024 597414718 /nfs/dbraw/zinc/41/47/18/597414718.db2.gz NZGNSMWSSDAACV-JTQLQIEISA-N 0 0 333.173 1.823 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)OC2CCN(C=O)CC2)[C@@H]1c1ccccc1 ZINC000181956363 700205858 /nfs/dbraw/zinc/20/58/58/700205858.db2.gz UGLQSAMAEGJKFW-AEFFLSMTSA-N 0 0 344.411 1.760 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000184889103 698575227 /nfs/dbraw/zinc/57/52/27/698575227.db2.gz UPRPJEURJPDGFH-CYBMUJFWSA-N 0 0 326.828 1.333 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(Cn3cc([N+](=O)[O-])c(C)n3)CC2)n1 ZINC000183333784 701586957 /nfs/dbraw/zinc/58/69/57/701586957.db2.gz CPBHDZHGSKHYBV-GFCCVEGCSA-N 0 0 349.395 1.381 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000184399388 703151208 /nfs/dbraw/zinc/15/12/08/703151208.db2.gz CJJMPWNJBYYWMR-SFHVURJKSA-N 0 0 342.443 1.989 10 0 EDAERN O=C(CN1CCOC1=O)c1ccc(I)cc1 ZINC000050129553 214046644 /nfs/dbraw/zinc/04/66/44/214046644.db2.gz RFYAQJFWGIQRIS-UHFFFAOYSA-N 0 0 331.109 1.926 10 0 EDAERN Nc1ccn(CC(=O)Nc2cccc(I)c2)n1 ZINC000050466159 214058604 /nfs/dbraw/zinc/05/86/04/214058604.db2.gz UPUOFGCSKXAYOG-UHFFFAOYSA-N 0 0 342.140 1.709 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(N)(=O)=O)[C@@H]1C ZINC000050568207 214059394 /nfs/dbraw/zinc/05/93/94/214059394.db2.gz ONNQVGLFMLQFHD-GHMZBOCLSA-N 0 0 332.447 1.143 10 0 EDAERN CNc1ncc(Br)cc1C(=O)NCCc1nccn1C ZINC000050787083 214070202 /nfs/dbraw/zinc/07/02/02/214070202.db2.gz JIUBAQSXQIPUKX-UHFFFAOYSA-N 0 0 338.209 1.592 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N[C@H](C)Cn1cccn1 ZINC000050791375 214070486 /nfs/dbraw/zinc/07/04/86/214070486.db2.gz RWVLYFCYDHTEMT-SECBINFHSA-N 0 0 338.209 1.901 10 0 EDAERN COCCNCc1nnnn1-c1ccc(F)cc1Br ZINC000054744968 214254584 /nfs/dbraw/zinc/25/45/84/214254584.db2.gz SUIOCVLBRRCOJN-UHFFFAOYSA-N 0 0 330.161 1.300 10 0 EDAERN CCOC(=O)N1CCN([C@H]2CCCN(C(=O)C3=CCCC3)C2)CC1 ZINC000055053555 214268495 /nfs/dbraw/zinc/26/84/95/214268495.db2.gz UZDRMMSGEJVVNJ-INIZCTEOSA-N 0 0 335.448 1.862 10 0 EDAERN CCn1c(-c2cccc(COC)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000173744456 231021825 /nfs/dbraw/zinc/02/18/25/231021825.db2.gz WJBIIDVRTGSGTM-UHFFFAOYSA-N 0 0 328.372 1.740 10 0 EDAERN Cc1cc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccccc3)C2=O)n(C)n1 ZINC000174345704 231185349 /nfs/dbraw/zinc/18/53/49/231185349.db2.gz ATHLHKSSEQPSTN-GOEBONIOSA-N 0 0 341.415 1.040 10 0 EDAERN Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000174453972 231211960 /nfs/dbraw/zinc/21/19/60/231211960.db2.gz BFRQBJXEDGPVEJ-CHWSQXEVSA-N 0 0 345.349 1.747 10 0 EDAERN CC[C@@]1(C)NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168909322 529538020 /nfs/dbraw/zinc/53/80/20/529538020.db2.gz BPVRDFMJJAAOAF-CYBMUJFWSA-N 0 0 326.194 1.471 10 0 EDAERN COc1cccc(NC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000049683196 214026505 /nfs/dbraw/zinc/02/65/05/214026505.db2.gz LDGAKNIIUOQZLQ-CYBMUJFWSA-N 0 0 349.412 1.812 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3cccc(OC)c3OC)CCO2)[nH]1 ZINC000129189722 529701574 /nfs/dbraw/zinc/70/15/74/529701574.db2.gz DXDNPFVZLJVIMJ-CQSZACIVSA-N 0 0 332.404 1.958 10 0 EDAERN COc1cccc([C@H]([NH3+])[C@@H](C(=O)[O-])C(=O)OC(C)(C)C)c1OC ZINC000098087813 219081842 /nfs/dbraw/zinc/08/18/42/219081842.db2.gz PBINCYPQPOUWAD-RYUDHWBXSA-N 0 0 325.361 1.746 10 0 EDAERN Cc1ccc(CNC(=O)C[S@@](=O)Cc2nnnn2C(C)C)cc1 ZINC000176572246 231684514 /nfs/dbraw/zinc/68/45/14/231684514.db2.gz PORGBHKORBLUJS-QHCPKHFHSA-N 0 0 335.433 1.128 10 0 EDAERN CC1(C)O[C@H]2[C@H](O1)[C@@H](O[C@H]1CCCCO1)[C@H]1OC(C)(C)O[C@H]1[C@@H]2O ZINC000100034715 219088820 /nfs/dbraw/zinc/08/88/20/219088820.db2.gz RBMFKHVXPPMSDD-IAAUBURFSA-N 0 0 344.404 1.313 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)CC[C@@H]2NC(=O)NC2=O)o1 ZINC000129464919 529726700 /nfs/dbraw/zinc/72/67/00/529726700.db2.gz AGQXEFFOKPTOOD-QWHCGFSZSA-N 0 0 333.388 1.884 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](C)C(=O)OC(C)C)CC2 ZINC000174961927 529750871 /nfs/dbraw/zinc/75/08/71/529750871.db2.gz CAHHZZIBVONQJC-NEPJUHHUSA-N 0 0 337.424 1.042 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000132154445 529757923 /nfs/dbraw/zinc/75/79/23/529757923.db2.gz UAQCPLQKBUUGDX-AWEZNQCLSA-N 0 0 342.403 1.174 10 0 EDAERN CCc1nn(C)c(CC(=O)[C@H](C)S(C)(=O)=O)c1Br ZINC000166539528 529764497 /nfs/dbraw/zinc/76/44/97/529764497.db2.gz WYAISZCCKYQQHL-ZETCQYMHSA-N 0 0 337.239 1.290 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)C1 ZINC000184102028 529783527 /nfs/dbraw/zinc/78/35/27/529783527.db2.gz CMRRLDUHDNFROR-GOEBONIOSA-N 0 0 341.839 1.177 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(Br)ncc2Cl)C1 ZINC000187429529 529783999 /nfs/dbraw/zinc/78/39/99/529783999.db2.gz YIPQTACVSDZFKV-QMMMGPOBSA-N 0 0 348.628 1.558 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2csc(-c3ccco3)n2)C1 ZINC000132425538 529789504 /nfs/dbraw/zinc/78/95/04/529789504.db2.gz KIZSRJHQEXECHD-GFCCVEGCSA-N 0 0 336.417 1.533 10 0 EDAERN COc1ccccc1N1CCN(CC(=O)Nc2cc(C)on2)C1=O ZINC000049385437 214003568 /nfs/dbraw/zinc/00/35/68/214003568.db2.gz PZKIGEPUKWWUMV-UHFFFAOYSA-N 0 0 330.344 1.872 10 0 EDAERN CN1N=C(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CCC1=O ZINC000174869167 529831037 /nfs/dbraw/zinc/83/10/37/529831037.db2.gz SVYVMBXRAWJPFD-HOCLYGCPSA-N 0 0 329.400 1.709 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000156565635 529923784 /nfs/dbraw/zinc/92/37/84/529923784.db2.gz HWOHFNFYZIXIMM-ZWNOBZJWSA-N 0 0 341.358 1.652 10 0 EDAERN CC(C)NC(=O)c1ccc(CN2CCN(C(C)C)C(=O)C2=O)cc1 ZINC000065129772 214830300 /nfs/dbraw/zinc/83/03/00/214830300.db2.gz JVBZVVRPFILGBL-UHFFFAOYSA-N 0 0 331.416 1.404 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2cccc(OC)c2)C1 ZINC000101564531 219137867 /nfs/dbraw/zinc/13/78/67/219137867.db2.gz HZRUCHCXALLHOR-MRXNPFEDSA-N 0 0 347.459 1.692 10 0 EDAERN Cc1ccc([C@H](CNC(=O)N[C@@H](C)CCO)N2CCOCC2)s1 ZINC000178715426 232403099 /nfs/dbraw/zinc/40/30/99/232403099.db2.gz QQBXXJUWULNTFP-JSGCOSHPSA-N 0 0 341.477 1.500 10 0 EDAERN COCCOc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1 ZINC000066139364 215015239 /nfs/dbraw/zinc/01/52/39/215015239.db2.gz UTUWAOCACPWKNY-UHFFFAOYSA-N 0 0 330.388 1.761 10 0 EDAERN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)NCc2ncnn2C)cc1 ZINC000095405666 539553119 /nfs/dbraw/zinc/55/31/19/539553119.db2.gz SXYMKBTVUONCEO-GDBMZVCRSA-N 0 0 329.404 1.843 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC2(C)OCCO2)[C@@H]1c1ccc(F)cc1 ZINC000179210906 282629927 /nfs/dbraw/zinc/62/99/27/282629927.db2.gz DTUJGIXGTIUILM-HIFRSBDPSA-N 0 0 336.363 1.224 10 0 EDAERN COC[C@H](C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000103393043 219296082 /nfs/dbraw/zinc/29/60/82/219296082.db2.gz BIUCQFHUBXZALU-VIFPVBQESA-N 0 0 344.209 1.524 10 0 EDAERN CC[C@H](C)n1nccc1NC(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000068260415 215294916 /nfs/dbraw/zinc/29/49/16/215294916.db2.gz RKGIVAWBHUAOAK-NSHDSACASA-N 0 0 346.387 1.979 10 0 EDAERN Cc1cccc2cc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)[nH]c12 ZINC000041185991 213430155 /nfs/dbraw/zinc/43/01/55/213430155.db2.gz ULIRRSRQBUVATN-AWEZNQCLSA-N 0 0 348.424 1.072 10 0 EDAERN C[C@@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1ccc(=O)[nH]c1 ZINC000040826886 213391424 /nfs/dbraw/zinc/39/14/24/213391424.db2.gz AQUDMPKUCBBTGL-JTQLQIEISA-N 0 0 326.805 1.938 10 0 EDAERN CCN(CC)c1nc(Cl)nc(N[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000069145736 215364485 /nfs/dbraw/zinc/36/44/85/215364485.db2.gz ZTVQZRPXEMGRAL-SECBINFHSA-N 0 0 333.845 1.360 10 0 EDAERN CN1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1 ZINC000040672139 213366638 /nfs/dbraw/zinc/36/66/38/213366638.db2.gz TYLIPDBWMOMTIB-VIFPVBQESA-N 0 0 338.260 1.948 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)c2nc(C)c(C)[nH]c2=O)cc1OC ZINC000154554188 539871545 /nfs/dbraw/zinc/87/15/45/539871545.db2.gz OOUMVCIEVBARKU-LLVKDONJSA-N 0 0 331.372 1.895 10 0 EDAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2COc3ccccc32)n(C)c1 ZINC000181152450 234098563 /nfs/dbraw/zinc/09/85/63/234098563.db2.gz MMORRXVCXIMSMU-ZDUSSCGKSA-N 0 0 349.412 1.139 10 0 EDAERN O=C(CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)NCC1CC1 ZINC000181538964 234222927 /nfs/dbraw/zinc/22/29/27/234222927.db2.gz VBKRBXQOSRPBAZ-CYBMUJFWSA-N 0 0 343.349 1.985 10 0 EDAERN Cn1nccc1NC(=O)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000155116449 282869862 /nfs/dbraw/zinc/86/98/62/282869862.db2.gz IWKKQJDSOGKQGM-GFCCVEGCSA-N 0 0 328.372 1.777 10 0 EDAERN Cc1ccc(Br)cc1S(=O)(=O)NCc1cc[nH]n1 ZINC000040436423 213303562 /nfs/dbraw/zinc/30/35/62/213303562.db2.gz CUCIFRYMLBLDBV-UHFFFAOYSA-N 0 0 330.207 1.959 10 0 EDAERN CC[C@H](CCO)NC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000159229959 540006724 /nfs/dbraw/zinc/00/67/24/540006724.db2.gz YULWUCSYLHSSQZ-CZUORRHYSA-N 0 0 336.432 1.727 10 0 EDAERN COc1cccc2sc(N3CCN(CCNC(C)=O)CC3)nc21 ZINC000038778354 213225547 /nfs/dbraw/zinc/22/55/47/213225547.db2.gz BSAGZEDDZLYXRB-UHFFFAOYSA-N 0 0 334.445 1.563 10 0 EDAERN COc1ccc(NC(=O)NCNS(=O)(=O)c2ccccc2)cc1 ZINC000038712373 213222019 /nfs/dbraw/zinc/22/20/19/213222019.db2.gz GLWUNVZYHZABPS-UHFFFAOYSA-N 0 0 335.385 1.753 10 0 EDAERN C[C@H](NC(=O)Nc1nc(CS(C)(=O)=O)no1)c1cccs1 ZINC000184078260 235301095 /nfs/dbraw/zinc/30/10/95/235301095.db2.gz RXYCKNLKVZFKAT-ZETCQYMHSA-N 0 0 330.391 1.558 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000193803063 540183891 /nfs/dbraw/zinc/18/38/91/540183891.db2.gz AQCUQHPBBYAKQZ-CGTJXYLNSA-N 0 0 330.428 1.601 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000195219229 540187520 /nfs/dbraw/zinc/18/75/20/540187520.db2.gz UYARZCMVIAAVGP-INIZCTEOSA-N 0 0 336.480 1.900 10 0 EDAERN COCCN(CCO)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184251156 235347621 /nfs/dbraw/zinc/34/76/21/235347621.db2.gz CDHYGPWFWXGVQY-CYBMUJFWSA-N 0 0 334.338 1.810 10 0 EDAERN O=C(Nc1nc2ccccn2n1)N1CCO[C@H](c2nccs2)C1 ZINC000184424799 235394306 /nfs/dbraw/zinc/39/43/06/235394306.db2.gz GRVOOLNXCWALJM-JTQLQIEISA-N 0 0 330.373 1.791 10 0 EDAERN CS(=O)(=O)CCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl ZINC000038085754 213200773 /nfs/dbraw/zinc/20/07/73/213200773.db2.gz JMLMAUCGJQFIKM-UHFFFAOYSA-N 0 0 348.229 1.064 10 0 EDAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NC[C@@H]1CCCC[C@@H]1O ZINC000077776460 138254908 /nfs/dbraw/zinc/25/49/08/138254908.db2.gz QGFMEYAOYQSPFB-AVGNSLFASA-N 0 0 337.386 1.721 10 0 EDAERN CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCn3nc(CC)nc32)C1 ZINC000088197525 138272091 /nfs/dbraw/zinc/27/20/91/138272091.db2.gz MOOKJLAZUTUYMW-QWHCGFSZSA-N 0 0 349.435 1.660 10 0 EDAERN Cc1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1S(C)(=O)=O ZINC000089312443 138273907 /nfs/dbraw/zinc/27/39/07/138273907.db2.gz MQGCPLZYTQAPPE-LBPRGKRZSA-N 0 0 349.416 1.647 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCC1CCCCC1 ZINC000105890443 219581801 /nfs/dbraw/zinc/58/18/01/219581801.db2.gz LSRYLRWNGAVKNB-QGZVFWFLSA-N 0 0 334.464 1.671 10 0 EDAERN CCc1nnc(CS(=O)(=O)CC(=O)N(C)[C@H](C)CC(C)C)n1C ZINC000091049642 138281504 /nfs/dbraw/zinc/28/15/04/138281504.db2.gz POKGZTBPGLNRHC-GFCCVEGCSA-N 0 0 344.481 1.185 10 0 EDAERN CC[C@@H]1COCCN1S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005348 213189460 /nfs/dbraw/zinc/18/94/60/213189460.db2.gz HOFAKDKPJZBUGT-CYBMUJFWSA-N 0 0 328.459 1.261 10 0 EDAERN CC(C)c1noc(CCC(=O)N2CCCN(c3cccnn3)CC2)n1 ZINC000105810990 138301945 /nfs/dbraw/zinc/30/19/45/138301945.db2.gz AUZCIUILMBLXGI-UHFFFAOYSA-N 0 0 344.419 1.655 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1[C@@H]3CCO[C@@H]3C1(C)C)CC2 ZINC000120478449 138315813 /nfs/dbraw/zinc/31/58/13/138315813.db2.gz ULTKFAMGKARQPQ-OSRDXIQISA-N 0 0 347.463 1.829 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)C(=O)Nc3ccon3)CC2)cs1 ZINC000185818158 235759141 /nfs/dbraw/zinc/75/91/41/235759141.db2.gz DZYVKQMJQXBQGH-UHFFFAOYSA-N 0 0 349.416 1.113 10 0 EDAERN C[C@@H](CC(=O)N[C@@H]1CCc2ncnn2C1)NC(=O)C1CCCCC1 ZINC000112646657 138309304 /nfs/dbraw/zinc/30/93/04/138309304.db2.gz NJUBEZIMTCLNOV-GXTWGEPZSA-N 0 0 333.436 1.184 10 0 EDAERN CCCc1noc(CCCC(=O)N[C@H]2CCc3nc(CC)nn3C2)n1 ZINC000114865415 138310729 /nfs/dbraw/zinc/31/07/29/138310729.db2.gz INXDNFAKVDJZEK-LBPRGKRZSA-N 0 0 346.435 1.630 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)Nc2ccnn2C)N2CCOCC2)s1 ZINC000124945705 138330846 /nfs/dbraw/zinc/33/08/46/138330846.db2.gz JGPHOMMHQJNKTP-CYBMUJFWSA-N 0 0 349.460 1.985 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1)[C@@H]1CCCO1 ZINC000125502527 138334611 /nfs/dbraw/zinc/33/46/11/138334611.db2.gz PJCLZUSGXFVJSL-NHYWBVRUSA-N 0 0 346.362 1.634 10 0 EDAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125668120 138335479 /nfs/dbraw/zinc/33/54/79/138335479.db2.gz CQRNEKXQZABELF-SNVBAGLBSA-N 0 0 347.448 1.618 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CO)CC(C)(C)C ZINC000130195714 138340322 /nfs/dbraw/zinc/34/03/22/138340322.db2.gz ZIVLADDGNBLULW-NWDGAFQWSA-N 0 0 339.440 1.356 10 0 EDAERN CCn1cc(NC(=O)C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cn1 ZINC000130853050 138348144 /nfs/dbraw/zinc/34/81/44/138348144.db2.gz MKGZTSVNLXXDMY-GFCCVEGCSA-N 0 0 346.391 1.014 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C3(CCOC)CCCC3)CCO2)[nH]1 ZINC000133126951 138388774 /nfs/dbraw/zinc/38/87/74/138388774.db2.gz ZDTBYNFQKBQIQC-CYBMUJFWSA-N 0 0 336.436 1.864 10 0 EDAERN CCOCC(=O)Nc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000036721708 213113262 /nfs/dbraw/zinc/11/32/62/213113262.db2.gz FRSGLOUISKGBJU-UHFFFAOYSA-N 0 0 337.195 1.072 10 0 EDAERN CO[C@@H]1CCC[C@@H]1NS(=O)(=O)CCSc1ccc(N)cc1 ZINC000070214691 215683386 /nfs/dbraw/zinc/68/33/86/215683386.db2.gz AWYBVYJBUMYTDP-UONOGXRCSA-N 0 0 330.475 1.848 10 0 EDAERN CCCCN(CCO)S(=O)(=O)c1cccc(F)c1C(N)=S ZINC000070395263 215689266 /nfs/dbraw/zinc/68/92/66/215689266.db2.gz QFJPIFCLOAMAPI-UHFFFAOYSA-N 0 0 334.438 1.243 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(CC(N)=O)C(C)C ZINC000070690051 215706962 /nfs/dbraw/zinc/70/69/62/215706962.db2.gz HBGAGUFFPNBTQX-XJKSGUPXSA-N 0 0 333.432 1.553 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc(C)c1F ZINC000187915330 236339633 /nfs/dbraw/zinc/33/96/33/236339633.db2.gz OMFCIGZVKTUMKB-UHFFFAOYSA-N 0 0 326.393 1.342 10 0 EDAERN O=S(=O)(NCCCO)c1ccc(Br)cc1Cl ZINC000035609913 213041555 /nfs/dbraw/zinc/04/15/55/213041555.db2.gz UDXRTEKUIQIGPP-UHFFFAOYSA-N 0 0 328.615 1.763 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cncc(OC(C)C)c3)CCO2)c1 ZINC000126450755 138611809 /nfs/dbraw/zinc/61/18/09/138611809.db2.gz MDKHVWSBFYQEFS-KRWDZBQOSA-N 0 0 344.415 1.915 10 0 EDAERN NC(=S)c1cc(S(=O)(=O)NCc2ccncc2)ccc1F ZINC000071245928 215746145 /nfs/dbraw/zinc/74/61/45/215746145.db2.gz FYDMOAFMEOHDLH-UHFFFAOYSA-N 0 0 325.390 1.333 10 0 EDAERN C=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000035219936 213014823 /nfs/dbraw/zinc/01/48/23/213014823.db2.gz NLGZNUAECOSHRT-UHFFFAOYSA-N 0 0 330.793 1.485 10 0 EDAERN C[C@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 ZINC000071318425 215760545 /nfs/dbraw/zinc/76/05/45/215760545.db2.gz WNVXQKKSIHKYCX-VIFPVBQESA-N 0 0 325.376 1.409 10 0 EDAERN COc1c(Cl)cc(C(=O)N2CCN(CCO)CC2)cc1Cl ZINC000035117539 213009959 /nfs/dbraw/zinc/00/99/59/213009959.db2.gz GHWUBBKUPWEDGE-UHFFFAOYSA-N 0 0 333.215 1.752 10 0 EDAERN CC[C@@H](CCO)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172597443 138665774 /nfs/dbraw/zinc/66/57/74/138665774.db2.gz UFSQEHPRCUTNJW-AAEUAGOBSA-N 0 0 328.434 1.611 10 0 EDAERN O=C(CSCC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000172749875 138666948 /nfs/dbraw/zinc/66/69/48/138666948.db2.gz AREOILHKCLZCIB-INIZCTEOSA-N 0 0 348.468 1.536 10 0 EDAERN C[C@@H](NC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)[C@@H]1CCCO1 ZINC000174949078 138689902 /nfs/dbraw/zinc/68/99/02/138689902.db2.gz HQUCRBZKLZEWKJ-CJNGLKHVSA-N 0 0 349.406 1.747 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cn1c(CSC)nc2ccccc21)C(C)C ZINC000178720595 138745059 /nfs/dbraw/zinc/74/50/59/138745059.db2.gz QJLIFIHBZMEBMZ-MRXNPFEDSA-N 0 0 348.472 1.786 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC[C@H]1CCO ZINC000180744666 138761494 /nfs/dbraw/zinc/76/14/94/138761494.db2.gz RPMRZQBQOVKAFN-QWHCGFSZSA-N 0 0 337.424 1.206 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2Br)CCO1 ZINC000037053011 213131646 /nfs/dbraw/zinc/13/16/46/213131646.db2.gz ZWGOZTFGSYHOLG-QMMMGPOBSA-N 0 0 335.223 1.441 10 0 EDAERN O=S1(=O)C[C@H](O)[C@H](Nc2ccc(Br)cc2Cl)C1 ZINC000037692776 213163127 /nfs/dbraw/zinc/16/31/27/213163127.db2.gz OIROPXKAKHNLQL-ZJUUUORDSA-N 0 0 340.626 1.672 10 0 EDAERN CCCn1cc(Br)cc1C(=O)NCCS(C)(=O)=O ZINC000037740880 213164645 /nfs/dbraw/zinc/16/46/45/213164645.db2.gz XMLDFGYKPFSKQY-UHFFFAOYSA-N 0 0 337.239 1.435 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1 ZINC000037929258 213173193 /nfs/dbraw/zinc/17/31/93/213173193.db2.gz PXYKBVMEOXUTRA-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN Cc1nc2nc(C)c3c(ccn(CCC4CCC(O)CC4)c3=O)n2n1 ZINC000072449442 216238774 /nfs/dbraw/zinc/23/87/74/216238774.db2.gz QQVGFJHVPBFTPV-UHFFFAOYSA-N 0 0 341.415 1.997 10 0 EDAERN O=C(Cc1cnc2ccccc2c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000130856181 223182138 /nfs/dbraw/zinc/18/21/38/223182138.db2.gz BUZITDLQNKMEFT-KRWDZBQOSA-N 0 0 336.395 1.901 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2cccc(F)c2)n1 ZINC000186348841 138816069 /nfs/dbraw/zinc/81/60/69/138816069.db2.gz CZXHXNZWLXNDNZ-ZDUSSCGKSA-N 0 0 341.364 1.420 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)[C@@H](C)CC(=O)OC)CC2)cn1 ZINC000131289422 223219882 /nfs/dbraw/zinc/21/98/82/223219882.db2.gz RJSYGSXOTQJWIL-AWEZNQCLSA-N 0 0 336.436 1.137 10 0 EDAERN CCCCn1cc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)c(C)n1 ZINC000186621960 138818410 /nfs/dbraw/zinc/81/84/10/138818410.db2.gz PZNNETZSTYXOGZ-CQSZACIVSA-N 0 0 333.392 1.897 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccn(C3CCCC3)n2)C1)C1CCC1 ZINC000188902299 138855370 /nfs/dbraw/zinc/85/53/70/138855370.db2.gz SIFMOVKPGFMHLJ-UHFFFAOYSA-N 0 0 345.447 1.808 10 0 EDAERN CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)cn1 ZINC000189220790 138864432 /nfs/dbraw/zinc/86/44/32/138864432.db2.gz IDBGBMOCHOUYHT-OAHLLOKOSA-N 0 0 339.392 1.804 10 0 EDAERN Cc1ccccc1Nc1nc(N)nc(CN2CCCNC(=O)[C@@H]2C)n1 ZINC000189295152 138866765 /nfs/dbraw/zinc/86/67/65/138866765.db2.gz KMVOLGFSMPTPPZ-LBPRGKRZSA-N 0 0 341.419 1.216 10 0 EDAERN CC(C)CSC[C@@H]1O[C@H](n2cnc3c2ccnc3N)[C@@H](O)[C@@H]1O ZINC000022912963 212332246 /nfs/dbraw/zinc/33/22/46/212332246.db2.gz XDBKDRRIZBSEDB-QJZXMWHDSA-N 0 0 338.433 1.022 10 0 EDAERN Cc1ccc(C)c(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)c1 ZINC000211823764 241085757 /nfs/dbraw/zinc/08/57/57/241085757.db2.gz LUCYRSBCOQQGOJ-UHFFFAOYSA-N 0 0 331.440 1.845 10 0 EDAERN CNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109837 212208787 /nfs/dbraw/zinc/20/87/87/212208787.db2.gz YDFIMXKWQWKQGF-XMMPIXPASA-N 0 0 342.424 1.658 10 0 EDAERN O=C(NOC[C@H]1CCOC1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000190444077 138891337 /nfs/dbraw/zinc/89/13/37/138891337.db2.gz BYRBVHLLPRWEPC-UONOGXRCSA-N 0 0 349.435 1.819 10 0 EDAERN CN(C[C@@H](O)CO)c1nncc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000020909257 212187045 /nfs/dbraw/zinc/18/70/45/212187045.db2.gz ICGYNALAXVRFRI-LLVKDONJSA-N 0 0 328.294 1.347 10 0 EDAERN CCC(=O)Nc1ccc(OC)c(CN2C(=O)[C@H]3CCCN3C2=O)c1 ZINC000020529816 212143467 /nfs/dbraw/zinc/14/34/67/212143467.db2.gz NEMYTPRUUVCDMZ-CYBMUJFWSA-N 0 0 331.372 1.970 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cnc4n[nH]c(C)c4c3)CCO2)cn1 ZINC000191745060 138922973 /nfs/dbraw/zinc/92/29/73/138922973.db2.gz FRGDCKXVMDESHW-OAHLLOKOSA-N 0 0 340.387 1.696 10 0 EDAERN Nc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000020193892 212110295 /nfs/dbraw/zinc/11/02/95/212110295.db2.gz GCVRZSYQPNVDPU-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN CCc1nnc(CN(CC)CC(=O)Nc2cccc(OC)c2)n1C ZINC000195017029 139004664 /nfs/dbraw/zinc/00/46/64/139004664.db2.gz SJFHCMPITLEKBS-UHFFFAOYSA-N 0 0 331.420 1.847 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000195238215 139011055 /nfs/dbraw/zinc/01/10/55/139011055.db2.gz YSIBEMHEBCRMPQ-SNVBAGLBSA-N 0 0 325.328 1.822 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000195474412 139017495 /nfs/dbraw/zinc/01/74/95/139017495.db2.gz QVTIHLAMIUMFEO-LBPRGKRZSA-N 0 0 339.355 1.676 10 0 EDAERN COc1ccc2nc([N-]S(=O)(=O)C[C@@H]3CCC[NH2+]3)sc2c1 ZINC000049641159 214024416 /nfs/dbraw/zinc/02/44/16/214024416.db2.gz LJWGUDNKYAMNIQ-VIFPVBQESA-N 0 0 327.431 1.799 10 0 EDAERN CC(C)CCNC(=O)[C@H](C)S(=O)(=O)Cc1nccn1C(C)C ZINC000195519985 139019684 /nfs/dbraw/zinc/01/96/84/139019684.db2.gz OSKXYPYTNGKPLE-ZDUSSCGKSA-N 0 0 329.466 1.930 10 0 EDAERN Nc1cc(NC(=O)CCCN2CCS(=O)CC2)ccc1Cl ZINC000049691265 214028324 /nfs/dbraw/zinc/02/83/24/214028324.db2.gz RATKMQRMDQXZJM-UHFFFAOYSA-N 0 0 329.853 1.705 10 0 EDAERN Cc1cc(NC(=O)CN2CC[C@H](CNc3ccccn3)C2)n(C)n1 ZINC000195515857 139019027 /nfs/dbraw/zinc/01/90/27/139019027.db2.gz FPHUKZMUUHAIPR-CQSZACIVSA-N 0 0 328.420 1.496 10 0 EDAERN Cn1nc(Br)c2c1ncnc2NC[C@H](O)C(C)(C)C ZINC000078670186 217097719 /nfs/dbraw/zinc/09/77/19/217097719.db2.gz PBVZRVXMNPPWFP-ZETCQYMHSA-N 0 0 328.214 1.945 10 0 EDAERN O=C(CSCc1ccncc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111086836 220098976 /nfs/dbraw/zinc/09/89/76/220098976.db2.gz XSFGEDWPBXDSQR-HNNXBMFYSA-N 0 0 332.429 1.439 10 0 EDAERN CCN(C)S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000245551404 284357156 /nfs/dbraw/zinc/35/71/56/284357156.db2.gz BFUOYLIPNNZVID-LBPRGKRZSA-N 0 0 327.454 1.338 10 0 EDAERN O=C1[C@H](N2CCO[C@@H](c3nccs3)C2)CCN1CC(F)(F)F ZINC000111213698 220113267 /nfs/dbraw/zinc/11/32/67/220113267.db2.gz JVQQUDKPQGWLPN-NXEZZACHSA-N 0 0 335.351 1.680 10 0 EDAERN COc1ccccc1CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111426082 220153509 /nfs/dbraw/zinc/15/35/09/220153509.db2.gz WYHFEIBGTOCVJZ-OAHLLOKOSA-N 0 0 330.388 1.502 10 0 EDAERN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccco1 ZINC000111796069 220191067 /nfs/dbraw/zinc/19/10/67/220191067.db2.gz UAQQDIZMZPCBCP-CABCVRRESA-N 0 0 347.419 1.189 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000081443306 217399074 /nfs/dbraw/zinc/39/90/74/217399074.db2.gz XPDMKGOYIDFRHH-NHYWBVRUSA-N 0 0 343.420 1.900 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)NCCOc1ccccc1 ZINC000081578500 217421141 /nfs/dbraw/zinc/42/11/41/217421141.db2.gz QWVSJQKEXWLPCO-AWEZNQCLSA-N 0 0 336.432 1.844 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000081581274 217421663 /nfs/dbraw/zinc/42/16/63/217421663.db2.gz UVJSQRRFSGPOTA-HNNXBMFYSA-N 0 0 341.415 1.991 10 0 EDAERN COc1cccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1OC ZINC000112066490 220237527 /nfs/dbraw/zinc/23/75/27/220237527.db2.gz ZORFDQPGELCMDU-AWEZNQCLSA-N 0 0 345.399 1.750 10 0 EDAERN Cc1nc(CN2CCCN(c3ccc4nccnc4n3)CC2)no1 ZINC000112080520 220240895 /nfs/dbraw/zinc/24/08/95/220240895.db2.gz CNQQBBOMOYVJBK-UHFFFAOYSA-N 0 0 325.376 1.429 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3ccccc3F)CCO2)c1 ZINC000112104691 220243267 /nfs/dbraw/zinc/24/32/67/220243267.db2.gz QFGPPPOPMFNWRC-INIZCTEOSA-N 0 0 346.406 1.984 10 0 EDAERN COc1ccc(CNC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000112103999 220243492 /nfs/dbraw/zinc/24/34/92/220243492.db2.gz SFMKDBMCJVBJSM-QGZVFWFLSA-N 0 0 344.415 1.811 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCOCC(C)C)CCO2)c1 ZINC000112106228 220244413 /nfs/dbraw/zinc/24/44/13/220244413.db2.gz ZTRMEUONXDEBJO-INIZCTEOSA-N 0 0 338.452 1.665 10 0 EDAERN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCS[C@@H](C)C1 ZINC000245808440 139086517 /nfs/dbraw/zinc/08/65/17/139086517.db2.gz FFCISIRBSWBCTP-BBRMVZONSA-N 0 0 348.468 1.550 10 0 EDAERN Cc1ccc(OC[C@H](O)CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000246306546 139103488 /nfs/dbraw/zinc/10/34/88/139103488.db2.gz AARDATLOQJWPHW-OKZBNKHCSA-N 0 0 336.476 1.430 10 0 EDAERN Cc1ccc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000246349905 139105125 /nfs/dbraw/zinc/10/51/25/139105125.db2.gz FWKWUXJMFUEJDA-AEFFLSMTSA-N 0 0 331.460 1.894 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246467973 139109734 /nfs/dbraw/zinc/10/97/34/139109734.db2.gz KDKLLNOQMOLPHE-SWLSCSKDSA-N 0 0 344.864 1.681 10 0 EDAERN CCOc1ccccc1NC(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246590937 139114135 /nfs/dbraw/zinc/11/41/35/139114135.db2.gz WSRZSZBBFHIUMG-RDJZCZTQSA-N 0 0 347.459 1.676 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)c1 ZINC000246711962 139118334 /nfs/dbraw/zinc/11/83/34/139118334.db2.gz DZDCBNXFBTXTAK-RCBQFDQVSA-N 0 0 344.411 1.993 10 0 EDAERN CC1(C)[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)[C@H]2CCO[C@H]21 ZINC000246803758 139122165 /nfs/dbraw/zinc/12/21/65/139122165.db2.gz IJSMTUUIUHNPLC-FVQBIDKESA-N 0 0 345.447 1.876 10 0 EDAERN O=C([C@@H]1CCCN1c1nccs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247023986 139132121 /nfs/dbraw/zinc/13/21/21/139132121.db2.gz PGMXZNGPYLKDFZ-KGLIPLIRSA-N 0 0 336.461 1.045 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)C12CCCC2 ZINC000247036006 139132497 /nfs/dbraw/zinc/13/24/97/139132497.db2.gz RJIPOIWZRKRPMI-RWMBFGLXSA-N 0 0 332.466 1.120 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000247105791 139135653 /nfs/dbraw/zinc/13/56/53/139135653.db2.gz IQCWUKRTFNMEDE-YESZJQIVSA-N 0 0 333.476 1.905 10 0 EDAERN O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172744267 284640318 /nfs/dbraw/zinc/64/03/18/284640318.db2.gz AQLCMOYYAZIREL-KRWDZBQOSA-N 0 0 326.400 1.419 10 0 EDAERN C[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)c1nnc2n1CCCC2 ZINC000247189092 139139313 /nfs/dbraw/zinc/13/93/13/139139313.db2.gz VQHYXKQXTKGYRD-NWDGAFQWSA-N 0 0 327.454 1.242 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)N[C@H](C)c3ccccc3)CCO2)[nH]1 ZINC000247201862 139140332 /nfs/dbraw/zinc/14/03/32/139140332.db2.gz ULYAEBJXVYFONO-IOASZLSFSA-N 0 0 343.431 1.752 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CCO2)[nH]1 ZINC000247331669 139145263 /nfs/dbraw/zinc/14/52/63/139145263.db2.gz WYGGKMVJZNCXHB-CDGCEXEKSA-N 0 0 349.435 1.264 10 0 EDAERN CCCNC(=O)CNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000248082065 139158069 /nfs/dbraw/zinc/15/80/69/139158069.db2.gz DLRUFQBQZDNOSC-MRXNPFEDSA-N 0 0 333.432 1.392 10 0 EDAERN O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)C1CCCC1 ZINC000012313420 211342243 /nfs/dbraw/zinc/34/22/43/211342243.db2.gz QERCNAQKMREBAG-UHFFFAOYSA-N 0 0 341.346 1.982 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000010960432 211197683 /nfs/dbraw/zinc/19/76/83/211197683.db2.gz MLLRDWTZVJVSCG-UHFFFAOYSA-N 0 0 345.424 1.537 10 0 EDAERN NC(=O)[C@H]1COCCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000092229974 218127843 /nfs/dbraw/zinc/12/78/43/218127843.db2.gz JSDXFFWCUROXJJ-GFCCVEGCSA-N 0 0 346.214 1.508 10 0 EDAERN COCCN1CCN(C(=O)[C@@](C)(OC)c2ccccc2F)C[C@@H]1C ZINC000248864676 139178111 /nfs/dbraw/zinc/17/81/11/139178111.db2.gz YCMLNFOMSGQYNE-KSSFIOAISA-N 0 0 338.423 1.866 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249122998 139186527 /nfs/dbraw/zinc/18/65/27/139186527.db2.gz BZIMOFMPXSAJBA-HIFRSBDPSA-N 0 0 331.416 1.467 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000249159377 139188259 /nfs/dbraw/zinc/18/82/59/139188259.db2.gz YDLHTGMXNWPDHN-ILXRZTDVSA-N 0 0 348.447 1.110 10 0 EDAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249254151 139189769 /nfs/dbraw/zinc/18/97/69/139189769.db2.gz YGJBVOLYNBACJO-NEPJUHHUSA-N 0 0 336.823 1.677 10 0 EDAERN O=C1N[C@@H](c2cccc(OCc3ccccn3)c2)N2CCOC[C@H]12 ZINC000093884826 218255195 /nfs/dbraw/zinc/25/51/95/218255195.db2.gz OMULVSHLHCUHON-IAGOWNOFSA-N 0 0 325.368 1.490 10 0 EDAERN Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000093883630 218255533 /nfs/dbraw/zinc/25/55/33/218255533.db2.gz WIEZJGCWYTYXSX-GOEBONIOSA-N 0 0 348.353 1.597 10 0 EDAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249463405 139193737 /nfs/dbraw/zinc/19/37/37/139193737.db2.gz PPQKJGSPEUFDLS-XBFCOCLRSA-N 0 0 330.475 1.485 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CCCN(CC(=O)c2cnccn2)C1 ZINC000095087599 218277977 /nfs/dbraw/zinc/27/79/77/218277977.db2.gz WFRACHAEQHGVBU-CYBMUJFWSA-N 0 0 334.420 1.896 10 0 EDAERN CN(CC(=O)N1CCNC[C@@H]1c1nccn1C)Cc1ccccc1 ZINC000261652463 139214679 /nfs/dbraw/zinc/21/46/79/139214679.db2.gz DKYBJEVYWUOVNI-MRXNPFEDSA-N 0 0 327.432 1.025 10 0 EDAERN COCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccccc1C ZINC000152822549 224016548 /nfs/dbraw/zinc/01/65/48/224016548.db2.gz VLHRUWFYGFWZAZ-ZDUSSCGKSA-N 0 0 328.434 1.128 10 0 EDAERN COCCN1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)C[C@H]1C ZINC000130467089 532954845 /nfs/dbraw/zinc/95/48/45/532954845.db2.gz SOTJYVLLCXFTAY-CQSZACIVSA-N 0 0 344.419 1.452 10 0 EDAERN COCCN1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)C[C@H]1C ZINC000174955171 532957519 /nfs/dbraw/zinc/95/75/19/532957519.db2.gz NTFYSJJDLIUUSQ-KFWWJZLASA-N 0 0 326.437 1.145 10 0 EDAERN COc1cc(NC(=O)CN2CCC[C@H](n3cncn3)C2)cc(OC)c1 ZINC000171702209 532976836 /nfs/dbraw/zinc/97/68/36/532976836.db2.gz FGIAJNJGSRBTDI-AWEZNQCLSA-N 0 0 345.403 1.571 10 0 EDAERN COC[C@H](C)Cn1nnnc1-c1cccc(N)c1Br ZINC000156277997 532978808 /nfs/dbraw/zinc/97/88/08/532978808.db2.gz LKVJHTCUIFZATP-MRVPVSSYSA-N 0 0 326.198 1.967 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000153401582 224098574 /nfs/dbraw/zinc/09/85/74/224098574.db2.gz SFMGBOJORGPUDL-OAHLLOKOSA-N 0 0 335.379 1.006 10 0 EDAERN C[C@H](NC(=O)N1CCN(C)C(=O)C1)c1cccc(Br)c1 ZINC000153412178 224099955 /nfs/dbraw/zinc/09/99/55/224099955.db2.gz HJGQUBRKRFEDAU-JTQLQIEISA-N 0 0 340.221 1.994 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)NC[C@H]1C[C@@H]1C ZINC000160045451 533087938 /nfs/dbraw/zinc/08/79/38/533087938.db2.gz XEBLBHOZBPGBFA-JGVFFNPUSA-N 0 0 334.239 1.820 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000112659791 220366329 /nfs/dbraw/zinc/36/63/29/220366329.db2.gz YIGLGWNHGUBGTH-MRVPVSSYSA-N 0 0 332.364 1.701 10 0 EDAERN C[C@H](NC(=O)NCCNC(=O)c1c(F)cccc1F)[C@H]1CCCO1 ZINC000112715212 220384411 /nfs/dbraw/zinc/38/44/11/220384411.db2.gz VUJVZVCKSJWWSH-GXFFZTMASA-N 0 0 341.358 1.561 10 0 EDAERN O=C(NCCc1ccc(Cl)s1)N[C@@H]1CCc2ncnn2C1 ZINC000112744515 220394525 /nfs/dbraw/zinc/39/45/25/220394525.db2.gz FUVPZAWWZSOXDC-SECBINFHSA-N 0 0 325.825 1.850 10 0 EDAERN COc1ccc(OCCCNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112745985 220394850 /nfs/dbraw/zinc/39/48/50/220394850.db2.gz MPTQPLFAGLUIJQ-ZDUSSCGKSA-N 0 0 345.403 1.370 10 0 EDAERN CN(CCCCNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112745548 220396201 /nfs/dbraw/zinc/39/62/01/220396201.db2.gz BWHZXTHHWVLEBZ-OAHLLOKOSA-N 0 0 342.447 1.809 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1 ZINC000113440059 220550462 /nfs/dbraw/zinc/55/04/62/220550462.db2.gz KNBZNHVOCBBOEM-MNOVXSKESA-N 0 0 345.490 1.349 10 0 EDAERN CSC[C@H](C)NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000153933373 224178884 /nfs/dbraw/zinc/17/88/84/224178884.db2.gz DCTKFJWEAKIDDB-AWEZNQCLSA-N 0 0 339.509 1.740 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H]1N1CCOCC1 ZINC000154070689 224197835 /nfs/dbraw/zinc/19/78/35/224197835.db2.gz XAVIJPVZUBIAFN-RHSMWYFYSA-N 0 0 341.415 1.060 10 0 EDAERN Cc1ncsc1/C=C\C(=O)N1CCCN(c2cccnn2)CC1 ZINC000492660709 255184929 /nfs/dbraw/zinc/18/49/29/255184929.db2.gz DVZXIICMXZNEIZ-WAYWQWQTSA-N 0 0 329.429 1.994 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000116751919 220984690 /nfs/dbraw/zinc/98/46/90/220984690.db2.gz HGTWSDGHMQEINC-CYBMUJFWSA-N 0 0 329.360 1.089 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC000117275189 221041818 /nfs/dbraw/zinc/04/18/18/221041818.db2.gz XFKJNBJMISRIGH-OAHLLOKOSA-N 0 0 333.432 1.503 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@H]1C ZINC000117291440 221045807 /nfs/dbraw/zinc/04/58/07/221045807.db2.gz DASIVAYGOPOOQC-SNVBAGLBSA-N 0 0 347.337 1.186 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000117521698 221072894 /nfs/dbraw/zinc/07/28/94/221072894.db2.gz BITHUQYOWVTPFT-ZDUSSCGKSA-N 0 0 337.395 1.333 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC000117522917 221074411 /nfs/dbraw/zinc/07/44/11/221074411.db2.gz QVAIQHDFBQVSRK-CYBMUJFWSA-N 0 0 337.395 1.252 10 0 EDAERN CO[C@@H](C)c1cccc(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000118133808 221128002 /nfs/dbraw/zinc/12/80/02/221128002.db2.gz AOQUWCHSKDDERL-ZDUSSCGKSA-N 0 0 330.388 1.654 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000118115180 221119346 /nfs/dbraw/zinc/11/93/46/221119346.db2.gz YRILETIMXYTJKE-LBPRGKRZSA-N 0 0 346.214 1.379 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2ccccc2OC2CCC2)C1 ZINC000118480755 221151960 /nfs/dbraw/zinc/15/19/60/221151960.db2.gz LAWJPCRBKXPUNT-MRXNPFEDSA-N 0 0 333.432 1.748 10 0 EDAERN CCCC(O)(CCC)CC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000119063133 221235439 /nfs/dbraw/zinc/23/54/39/221235439.db2.gz TWYPHUIVFDEIJX-CYBMUJFWSA-N 0 0 338.452 1.988 10 0 EDAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000119269523 221281419 /nfs/dbraw/zinc/28/14/19/221281419.db2.gz YOLFGMVCDFRLAG-SDDRHHMPSA-N 0 0 336.440 1.278 10 0 EDAERN COCCOc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000172398163 533225109 /nfs/dbraw/zinc/22/51/09/533225109.db2.gz MCIQOEFOBRIHQI-OAHLLOKOSA-N 0 0 344.415 1.856 10 0 EDAERN COCCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174323543 533225727 /nfs/dbraw/zinc/22/57/27/533225727.db2.gz QLCXNSPFMBCFJU-HUUCEWRRSA-N 0 0 336.432 1.239 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(Cl)ccc1F ZINC000119632945 221363258 /nfs/dbraw/zinc/36/32/58/221363258.db2.gz ZAAJIEUUBNCADC-LLVKDONJSA-N 0 0 331.775 1.294 10 0 EDAERN Cn1ccnc1CC1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000119739204 221390766 /nfs/dbraw/zinc/39/07/66/221390766.db2.gz JKODIGXUIPAAFN-OAHLLOKOSA-N 0 0 341.477 1.574 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C(C)C)nn1C ZINC000155463342 224421589 /nfs/dbraw/zinc/42/15/89/224421589.db2.gz UEZYTVLYUYCVJS-LLVKDONJSA-N 0 0 332.408 1.546 10 0 EDAERN O=C(NCc1ccco1)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ncccn2)C1 ZINC000247525147 257681362 /nfs/dbraw/zinc/68/13/62/257681362.db2.gz YYZREHOUVNROIC-SNPRPXQTSA-N 0 0 328.372 1.370 10 0 EDAERN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCCCCCO ZINC000006691916 257700770 /nfs/dbraw/zinc/70/07/70/257700770.db2.gz NUCYJOAYBYFSDA-KCQAQPDRSA-N 0 0 343.493 1.381 10 0 EDAERN COC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000170518582 533285646 /nfs/dbraw/zinc/28/56/46/533285646.db2.gz NGIOOCDYPINVJM-UHFFFAOYSA-N 0 0 336.363 1.956 10 0 EDAERN COc1ccc(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173803224 533456860 /nfs/dbraw/zinc/45/68/60/533456860.db2.gz MSORDJUOJCYFMH-MAUKXSAKSA-N 0 0 332.444 1.807 10 0 EDAERN CSC(C)(C)CNS(=O)(=O)Cc1ccccc1C(N)=S ZINC000156768125 533471096 /nfs/dbraw/zinc/47/10/96/533471096.db2.gz NPOZVQVZKFQBNR-UHFFFAOYSA-N 0 0 332.516 1.882 10 0 EDAERN COc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc(OC)c1C ZINC000173854844 533528376 /nfs/dbraw/zinc/52/83/76/533528376.db2.gz TYTYIRYJGKIVDD-XJKSGUPXSA-N 0 0 348.443 1.805 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(F)c(Cl)c(CO)c1)[C@H]1CCOC1 ZINC000167039879 533480331 /nfs/dbraw/zinc/48/03/31/533480331.db2.gz JWLQPXKLUJAVBZ-BDAKNGLRSA-N 0 0 337.800 1.675 10 0 EDAERN CN1c2cccnc2S[C@@H](CC(=O)NCc2ccncc2)C1=O ZINC000065171826 132807644 /nfs/dbraw/zinc/80/76/44/132807644.db2.gz FOPVEFFGRHFVQK-ZDUSSCGKSA-N 0 0 328.397 1.620 10 0 EDAERN O=C(C[C@H]1CCCCNC1=O)N1CCN(Cc2cscn2)CC1 ZINC000329243558 140702848 /nfs/dbraw/zinc/70/28/48/140702848.db2.gz PENSIMXSAWMUEC-CYBMUJFWSA-N 0 0 336.461 1.934 10 0 EDAERN CC(C)n1nc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c2ccccc2c1=O ZINC000329761612 140761136 /nfs/dbraw/zinc/76/11/36/140761136.db2.gz RQGAMPRWYFGBKB-APHBMKBZSA-N 0 0 341.411 1.820 10 0 EDAERN O=C(c1ccccc1OC[C@H]1CCCO1)N1CCN2C(=O)NC[C@H]2C1 ZINC000330275185 140826574 /nfs/dbraw/zinc/82/65/74/140826574.db2.gz LDJXQPWTSOSAMZ-UONOGXRCSA-N 0 0 345.399 1.298 10 0 EDAERN Cc1nc(S(=O)(=O)N2CCC[C@@H](n3cccn3)C2)sc1C ZINC000333234442 141285251 /nfs/dbraw/zinc/28/52/51/141285251.db2.gz HITOBUIBIARLKA-GFCCVEGCSA-N 0 0 326.447 1.982 10 0 EDAERN C[C@H]1C[C@H](NC(=O)Cn2ncc(=O)c3ccccc32)C[N@@H+]1C1CC1 ZINC000333366959 141306378 /nfs/dbraw/zinc/30/63/78/141306378.db2.gz YGDCNYPBYPPMJD-STQMWFEESA-N 0 0 326.400 1.138 10 0 EDAERN Cc1nc2n(n1)CCN(C(=O)[C@H]1CCCN1C(=O)C1CCCC1)C2 ZINC000333452936 141319564 /nfs/dbraw/zinc/31/95/64/141319564.db2.gz OADXMNRKTQMXDU-CQSZACIVSA-N 0 0 331.420 1.110 10 0 EDAERN C[C@@H](CS(=O)(=O)N1CC[S@](=O)C[C@H](C)C1)c1ccccc1 ZINC000333459537 141320571 /nfs/dbraw/zinc/32/05/71/141320571.db2.gz PGZRWRWKMNBMIE-CKNLXJGOSA-N 0 0 329.487 1.820 10 0 EDAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2CCc3cccnc32)C1 ZINC000333511331 141329333 /nfs/dbraw/zinc/32/93/33/141329333.db2.gz UKIXCAOXKXLOAU-GJZGRUSLSA-N 0 0 325.416 1.630 10 0 EDAERN COCCC(=O)N1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000333570412 141338468 /nfs/dbraw/zinc/33/84/68/141338468.db2.gz TZSXHLSPJIZZJW-OAHLLOKOSA-N 0 0 331.416 1.209 10 0 EDAERN CO[C@H]1C[C@@H](C(=O)NC2CCN(c3ccc(C)cn3)CC2)N(C)C1 ZINC000345176620 143061417 /nfs/dbraw/zinc/06/14/17/143061417.db2.gz ZTDYZBJZNNCMIZ-HOTGVXAUSA-N 0 0 332.448 1.194 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)sc1C ZINC000192958612 148958194 /nfs/dbraw/zinc/95/81/94/148958194.db2.gz MIWCVFLZLLTVAI-NSHDSACASA-N 0 0 333.417 1.448 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCOC(C)(C)C2)C12CCOCC2 ZINC000185983189 286261776 /nfs/dbraw/zinc/26/17/76/286261776.db2.gz DUKGYYWBPSQBRZ-ZIAGYGMSSA-N 0 0 326.437 1.781 10 0 EDAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)NC(C)(C)C ZINC000173631690 287053331 /nfs/dbraw/zinc/05/33/31/287053331.db2.gz RZPZBDJBICJCQW-WDEREUQCSA-N 0 0 336.440 1.278 10 0 EDAERN COCCn1ncc(Br)c1C(=O)c1ccnc(C)n1 ZINC000156928609 224742473 /nfs/dbraw/zinc/74/24/73/224742473.db2.gz ZUZAMEZRTHJCAS-UHFFFAOYSA-N 0 0 325.166 1.621 10 0 EDAERN Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000157999919 224929197 /nfs/dbraw/zinc/92/91/97/224929197.db2.gz FVRBTQTTXSCHNK-HZPDHXFCSA-N 0 0 342.399 1.473 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccc(C)nc1)CC2 ZINC000114965524 287343884 /nfs/dbraw/zinc/34/38/84/287343884.db2.gz DGQDWBFVJUTBMH-AWEZNQCLSA-N 0 0 328.420 1.401 10 0 EDAERN CCn1c(C2CCC(C(F)(F)F)CC2)nnc1S(N)(=O)=O ZINC000158386378 225004445 /nfs/dbraw/zinc/00/44/45/225004445.db2.gz KMJVAFCQBOSJPH-UHFFFAOYSA-N 0 0 326.344 1.782 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1c(F)cc(Br)cc1F ZINC000158968687 225118897 /nfs/dbraw/zinc/11/88/97/225118897.db2.gz GOPBIPRJEIXSTI-VIFPVBQESA-N 0 0 349.131 1.054 10 0 EDAERN C[C@H](NC(=O)c1c(O)cccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000119536285 287353769 /nfs/dbraw/zinc/35/37/69/287353769.db2.gz OAYWACQOFROGCB-VIFPVBQESA-N 0 0 338.360 1.670 10 0 EDAERN C[C@H](C(=O)[O-])[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000167341791 226187617 /nfs/dbraw/zinc/18/76/17/226187617.db2.gz CEWDDORQMLZUBZ-SNVBAGLBSA-N 0 0 328.210 1.435 10 0 EDAERN Nc1cc(Cl)cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000165154072 226111251 /nfs/dbraw/zinc/11/12/51/226111251.db2.gz BQASVOILVLTLES-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN COCCCNC(=O)[C@H](C)S(=O)(=O)c1c(N)cccc1Cl ZINC000165623234 226132611 /nfs/dbraw/zinc/13/26/11/226132611.db2.gz CLUFUKSMHISGBT-VIFPVBQESA-N 0 0 334.825 1.237 10 0 EDAERN Cc1ccc(N)cc1S(=O)(=O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000165979383 226144447 /nfs/dbraw/zinc/14/44/47/226144447.db2.gz QMBFZCDZCUXZJC-STQMWFEESA-N 0 0 331.459 1.707 10 0 EDAERN [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166664430 226163762 /nfs/dbraw/zinc/16/37/62/226163762.db2.gz JYTWTASEOWRHGK-UWVGGRQHSA-N 0 0 329.150 1.060 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(N)c(F)cc1Br ZINC000166937668 226175015 /nfs/dbraw/zinc/17/50/15/226175015.db2.gz KUGQZRBOOXIGNO-HTQZYQBOSA-N 0 0 347.184 1.392 10 0 EDAERN CCc1nn(CC)c(CN2C[C@@H](CO)OC[C@@H]2C)c1Br ZINC000167792914 226198058 /nfs/dbraw/zinc/19/80/58/226198058.db2.gz ZQIBUKBZSBQFGF-QWRGUYRKSA-N 0 0 346.269 1.810 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1CC(=O)c1cccc(Br)c1 ZINC000168206232 226209831 /nfs/dbraw/zinc/20/98/31/226209831.db2.gz XZNFJPLJWMZEHQ-MFKMUULPSA-N 0 0 328.206 1.713 10 0 EDAERN COc1cc(Br)cc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000169096377 226231928 /nfs/dbraw/zinc/23/19/28/226231928.db2.gz OWGQRSRPURIVMC-MNOVXSKESA-N 0 0 336.207 1.028 10 0 EDAERN Cc1cc(Cl)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000169194201 226234869 /nfs/dbraw/zinc/23/48/69/226234869.db2.gz BQKPPZFNWVSREC-UHFFFAOYSA-N 0 0 325.777 1.943 10 0 EDAERN Cc1sc2nc(NC(=O)Cn3c(C)cc(=O)cc3C)nn2c1C ZINC000170588141 226632086 /nfs/dbraw/zinc/63/20/86/226632086.db2.gz AZVWNQBXNVUBOI-UHFFFAOYSA-N 0 0 331.401 1.825 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)C[C@H](C)O1 ZINC000120595383 221622234 /nfs/dbraw/zinc/62/22/34/221622234.db2.gz XLEHZSGZVGHKAT-RYUDHWBXSA-N 0 0 336.436 1.583 10 0 EDAERN CNC(=O)c1cc(NC(=O)N2CCC[C@H]2C(=O)NC)ccc1Cl ZINC000120684957 221645381 /nfs/dbraw/zinc/64/53/81/221645381.db2.gz BWCZYWPKCPUPIR-LBPRGKRZSA-N 0 0 338.795 1.442 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCCn1ccnc1C)CC2 ZINC000122145050 222024482 /nfs/dbraw/zinc/02/44/82/222024482.db2.gz JWTKSEMMOOZUFB-CQSZACIVSA-N 0 0 345.451 1.392 10 0 EDAERN COc1ccc(CN2CCO[C@H](Cn3cccn3)C2)c(OC)c1OC ZINC000122194685 222034541 /nfs/dbraw/zinc/03/45/41/222034541.db2.gz XTIYQMLQFNRSSG-HNNXBMFYSA-N 0 0 347.415 1.810 10 0 EDAERN CC(=O)NCCCNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000122040278 222000855 /nfs/dbraw/zinc/00/08/55/222000855.db2.gz BGLXMQUBVXTAFQ-SWLSCSKDSA-N 0 0 341.358 1.308 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cc3c[nH]nc3-c3cccnc3)CCO2)c1 ZINC000122480148 222096462 /nfs/dbraw/zinc/09/64/62/222096462.db2.gz ODINZGJERDRGCT-KRWDZBQOSA-N 0 0 338.415 1.878 10 0 EDAERN c1cnn(C[C@H]2CN(Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000122215651 222039267 /nfs/dbraw/zinc/03/92/67/222039267.db2.gz BKAVHXPTZUULTB-QGZVFWFLSA-N 0 0 327.432 1.779 10 0 EDAERN COCCOc1ccccc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000122289553 222053803 /nfs/dbraw/zinc/05/38/03/222053803.db2.gz MJNNNRYAGMNEQD-QGZVFWFLSA-N 0 0 331.416 1.809 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123220106 222237797 /nfs/dbraw/zinc/23/77/97/222237797.db2.gz XDOXFRWJUJJYKN-LIRRHRJNSA-N 0 0 345.443 1.845 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000123434809 222275967 /nfs/dbraw/zinc/27/59/67/222275967.db2.gz CXOZNJHVPWRZLR-BEFAXECRSA-N 0 0 344.411 1.981 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CCCNC(=O)c3cccnc3)C2)cn1 ZINC000123646065 222310571 /nfs/dbraw/zinc/31/05/71/222310571.db2.gz QRMHISFKGFKFHM-OAHLLOKOSA-N 0 0 341.415 1.341 10 0 EDAERN O=C(NCC1(CO)COC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000123881716 222347463 /nfs/dbraw/zinc/34/74/63/222347463.db2.gz DWIKQNMOEZJHTF-LBPRGKRZSA-N 0 0 332.322 1.468 10 0 EDAERN CCn1cc(C2CCN(C(=O)[C@@H](C)Sc3nncn3C)CC2)cn1 ZINC000124060989 222371425 /nfs/dbraw/zinc/37/14/25/222371425.db2.gz JJRWFTVGDDWWCB-GFCCVEGCSA-N 0 0 348.476 1.918 10 0 EDAERN C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC[C@H](n2cncn2)C1 ZINC000171702162 227229357 /nfs/dbraw/zinc/22/93/57/227229357.db2.gz PFGMSLLEMLCTNG-RYUDHWBXSA-N 0 0 334.811 1.991 10 0 EDAERN Cc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)n(-c2ccccn2)n1 ZINC000171843779 227311388 /nfs/dbraw/zinc/31/13/88/227311388.db2.gz QGDWVOGVJJYSHH-LBPRGKRZSA-N 0 0 338.375 1.304 10 0 EDAERN COCc1cc(CNC(=O)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000171870961 227326355 /nfs/dbraw/zinc/32/63/55/227326355.db2.gz XZYZWDTTXUXGPU-ZDUSSCGKSA-N 0 0 333.367 1.378 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc2ccccc2[nH]c1=O ZINC000172321285 227627832 /nfs/dbraw/zinc/62/78/32/227627832.db2.gz NIQUCTODMJNBIR-CQSZACIVSA-N 0 0 349.394 1.717 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000172381144 227663653 /nfs/dbraw/zinc/66/36/53/227663653.db2.gz QLHWWUXMLOSDTG-UHFFFAOYSA-N 0 0 337.387 1.416 10 0 EDAERN Cc1cc(C)c(OCC(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000172748717 227863948 /nfs/dbraw/zinc/86/39/48/227863948.db2.gz WDFBPHLQMKVSHS-QGZVFWFLSA-N 0 0 332.444 1.924 10 0 EDAERN CCOc1cc2c(cc1OCC)CN(C(=O)[C@H]1CNC(=O)C1)CC2 ZINC000194779987 273006180 /nfs/dbraw/zinc/00/61/80/273006180.db2.gz YOVQTEFRBDKZOP-CYBMUJFWSA-N 0 0 332.400 1.505 10 0 EDAERN COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000175002653 267550095 /nfs/dbraw/zinc/55/00/95/267550095.db2.gz ORQPVMDYABDQEA-CHWSQXEVSA-N 0 0 339.411 1.915 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000279645337 268865421 /nfs/dbraw/zinc/86/54/21/268865421.db2.gz AAUNDERNOUKCLR-CQJJVWNLSA-N 0 0 335.404 1.739 10 0 EDAERN Cn1cc(NC(=O)C(=O)N[C@H]2CCc3cc(Cl)ccc32)ccc1=O ZINC000183007890 272944875 /nfs/dbraw/zinc/94/48/75/272944875.db2.gz ZVDBWVCSUPXEGK-AWEZNQCLSA-N 0 0 345.786 1.781 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000187644401 272951228 /nfs/dbraw/zinc/95/12/28/272951228.db2.gz RTRTWNCDMRNGAQ-QGZVFWFLSA-N 0 0 343.387 1.203 10 0 EDAERN CCOCCC1(CNC(=O)NC[C@@H](C)N2CCOCC2)CCCC1 ZINC000155414762 287659808 /nfs/dbraw/zinc/65/98/08/287659808.db2.gz ZXIMDZJVDDBSFI-MRXNPFEDSA-N 0 0 341.496 1.993 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CC[C@H](CO)CC2)C1 ZINC000246830906 287752100 /nfs/dbraw/zinc/75/21/00/287752100.db2.gz SMURNBBBTFDPFC-IHRRRGAJSA-N 0 0 326.437 1.911 10 0 EDAERN Cn1cncc1[C@@H]1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)CCO1 ZINC000333422628 274900455 /nfs/dbraw/zinc/90/04/55/274900455.db2.gz IRMNWPASYJZCDE-DOMZBBRYSA-N 0 0 340.387 1.352 10 0 EDAERN CC1(C)CNC(=O)c2[nH]c([C@@H]3CCCN(c4ncccn4)C3)nc2C1 ZINC000095376243 276137798 /nfs/dbraw/zinc/13/77/98/276137798.db2.gz BCIJQNHOXIYNFY-GFCCVEGCSA-N 0 0 340.431 1.896 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(OC)c(F)c2)CC1 ZINC000184866757 276643013 /nfs/dbraw/zinc/64/30/13/276643013.db2.gz BYWMCGONMXOABQ-AWEZNQCLSA-N 0 0 339.411 1.432 10 0 EDAERN CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177692907 276952884 /nfs/dbraw/zinc/95/28/84/276952884.db2.gz DBIFZYXMYIVCRE-DFSFMLJYSA-N 0 0 339.399 1.715 10 0 EDAERN COc1nc(N2CC[C@@H](N3CCOCC3)C2)ncc1Br ZINC000176262184 278084904 /nfs/dbraw/zinc/08/49/04/278084904.db2.gz IVLNLQFGDLNGNS-SNVBAGLBSA-N 0 0 343.225 1.159 10 0 EDAERN CC(=O)O[C@H]1[C@H](C)O[C@@H](OC(C)=O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000044699196 278222270 /nfs/dbraw/zinc/22/22/70/278222270.db2.gz XMWAAIWBIJWLLA-WTFGDDLMSA-N 0 0 331.365 1.509 10 0 in-vitro EDAERN C[C@@H]1[C@H](C)N(CCc2ccc3c(c2)OCCO3)CCS1(=O)=O ZINC000329293459 289014194 /nfs/dbraw/zinc/01/41/94/289014194.db2.gz JGOAJKKWVAITPS-QWHCGFSZSA-N 0 0 325.430 1.508 10 0 EDAERN C[C@H](CNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)N1CCOCC1 ZINC000083700457 289661069 /nfs/dbraw/zinc/66/10/69/289661069.db2.gz NISBAFVHVUZFSJ-CVEARBPZSA-N 0 0 346.475 1.757 10 0 EDAERN CN1CC[N@H+](C)CC12CCN(c1ccc(Cl)c(C(=O)[O-])n1)CC2 ZINC000067457835 290034440 /nfs/dbraw/zinc/03/44/40/290034440.db2.gz WGAWDSXVRCDGBO-UHFFFAOYSA-N 0 0 338.839 1.649 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC000245594899 290108222 /nfs/dbraw/zinc/10/82/22/290108222.db2.gz BQNDBDSCBRZVAZ-KZNAEPCWSA-N 0 0 347.459 1.615 10 0 EDAERN COC[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000182579474 292986558 /nfs/dbraw/zinc/98/65/58/292986558.db2.gz VKFBWPOJOQUFCB-GWCFXTLKSA-N 0 0 344.333 1.987 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000083755090 293515253 /nfs/dbraw/zinc/51/52/53/293515253.db2.gz AVMYWLITZGLHBK-CYBMUJFWSA-N 0 0 331.351 1.624 10 0 EDAERN CO[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000245674510 293650498 /nfs/dbraw/zinc/65/04/98/293650498.db2.gz STKFLQMAVKXJFX-BFYDXBDKSA-N 0 0 334.391 1.983 10 0 EDAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1-c1cc(C)cc(C)c1 ZINC000181026198 301103199 /nfs/dbraw/zinc/10/31/99/301103199.db2.gz VBKGPURGYFNKNN-MRXNPFEDSA-N 0 0 342.399 1.124 10 0 EDAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000237437562 302870199 /nfs/dbraw/zinc/87/01/99/302870199.db2.gz PJAAJIZYASEEGC-NSHDSACASA-N 0 0 344.433 1.687 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000044249654 440828252 /nfs/dbraw/zinc/82/82/52/440828252.db2.gz DWATZKJLLIVRCL-CYBMUJFWSA-N 0 0 333.413 1.685 10 0 EDAERN CCOC(=O)c1cc(CSc2nc(N)n[nH]2)c2c(c1)COCO2 ZINC000005556958 440959645 /nfs/dbraw/zinc/95/96/45/440959645.db2.gz WDVRBEITOYAWAY-UHFFFAOYSA-N 0 0 336.373 1.722 10 0 EDAERN Cc1cc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)on1 ZINC000057922905 441144327 /nfs/dbraw/zinc/14/43/27/441144327.db2.gz HQPUERSWHGCIKP-NHYWBVRUSA-N 0 0 326.418 1.798 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)c2ccc[nH]2)CC1 ZINC000012809072 441144739 /nfs/dbraw/zinc/14/47/39/441144739.db2.gz AAVKCCYIROATMM-MRXNPFEDSA-N 0 0 335.429 1.055 10 0 EDAERN Cc1noc(CO[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000097942542 441146619 /nfs/dbraw/zinc/14/66/19/441146619.db2.gz YBCOJCWVYDKCKI-CYBMUJFWSA-N 0 0 345.355 1.928 10 0 EDAERN CCOC(=O)[C@@H]1C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]1N2C ZINC000071793109 441154860 /nfs/dbraw/zinc/15/48/60/441154860.db2.gz DDQLSUNZALBDML-WZRBSPASSA-N 0 0 326.393 1.058 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000047911919 441235730 /nfs/dbraw/zinc/23/57/30/441235730.db2.gz DHCBDFJAAIFFME-CQSZACIVSA-N 0 0 333.432 1.858 10 0 EDAERN CCOc1c(=O)c(=O)c1N1CC[C@H](c2cc(OC)ccc2OC)C1 ZINC000015768331 441210367 /nfs/dbraw/zinc/21/03/67/441210367.db2.gz RGLJOLUMCKCJAO-NSHDSACASA-N 0 0 331.368 1.692 10 0 EDAERN Cc1ccc(N2CCCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)nn1 ZINC000105801281 441273157 /nfs/dbraw/zinc/27/31/57/441273157.db2.gz LSVVSHGXDKUUEC-KRWDZBQOSA-N 0 0 343.406 1.663 10 0 EDAERN Cc1cc(NC(=O)[C@@H](C)N2CCC(Nc3cccnn3)CC2)on1 ZINC000105805258 441274440 /nfs/dbraw/zinc/27/44/40/441274440.db2.gz FINWTLLKQMSYBV-GFCCVEGCSA-N 0 0 330.392 1.677 10 0 EDAERN CC(C)Cc1noc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000105817024 441276557 /nfs/dbraw/zinc/27/65/57/441276557.db2.gz WJCWUXFLUSOGTM-UHFFFAOYSA-N 0 0 342.407 1.028 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)CCNC(=O)C(C)(C)C)CC2)cn1 ZINC000105827585 441282503 /nfs/dbraw/zinc/28/25/03/441282503.db2.gz GIWNREVNWTZYGM-UHFFFAOYSA-N 0 0 349.479 1.007 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000105831628 441284162 /nfs/dbraw/zinc/28/41/62/441284162.db2.gz IYJHFBOFIRHLSH-YYIAUSFCSA-N 0 0 325.497 1.532 10 0 EDAERN CCc1nnc(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)o1 ZINC000105866121 441296119 /nfs/dbraw/zinc/29/61/19/441296119.db2.gz UXBHFZVMNDKYHY-UHFFFAOYSA-N 0 0 332.452 1.901 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2ccccc2OC)C[C@@H]1C ZINC000105834752 441287800 /nfs/dbraw/zinc/28/78/00/441287800.db2.gz YYLPFEDDHFXFKD-HNNXBMFYSA-N 0 0 335.448 1.676 10 0 EDAERN CCOc1ccnc(N2CCN(CC(=O)c3cccn3C)CC2)n1 ZINC000106152727 441328301 /nfs/dbraw/zinc/32/83/01/441328301.db2.gz KIVYJZPFBPXEEI-UHFFFAOYSA-N 0 0 329.404 1.219 10 0 EDAERN CCCc1nc(CN2CCN(c3nccc(OCC)n3)CC2)no1 ZINC000105868628 441298541 /nfs/dbraw/zinc/29/85/41/441298541.db2.gz MIQIWCBWSUYAOL-UHFFFAOYSA-N 0 0 332.408 1.533 10 0 EDAERN Cc1ccc(OC[C@H](O)CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105889726 441308876 /nfs/dbraw/zinc/30/88/76/441308876.db2.gz VBSKYTOLZDICQP-AEFFLSMTSA-N 0 0 331.416 1.332 10 0 EDAERN COc1cccc(NC(=O)CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000105891475 441309118 /nfs/dbraw/zinc/30/91/18/441309118.db2.gz CZGXCYJWYGTZIL-QGZVFWFLSA-N 0 0 344.415 1.540 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105894145 441310995 /nfs/dbraw/zinc/31/09/95/441310995.db2.gz WJUJDCPHVQYKRM-QZTJIDSGSA-N 0 0 336.476 1.514 10 0 EDAERN CCOC(=O)CCCNC(=O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105900374 441312099 /nfs/dbraw/zinc/31/20/99/441312099.db2.gz HUVXIAOANPOJCL-OAHLLOKOSA-N 0 0 336.436 1.288 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCC(=O)Nc1cccnc1 ZINC000106914608 441389949 /nfs/dbraw/zinc/38/99/49/441389949.db2.gz HIHYSMSRRWGLOH-MRXNPFEDSA-N 0 0 326.400 1.309 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000083755051 441375187 /nfs/dbraw/zinc/37/51/87/441375187.db2.gz BLQMMDROKYOCHO-AWEZNQCLSA-N 0 0 327.388 1.793 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)NCCOc1c(C)cccc1C ZINC000052307716 441445780 /nfs/dbraw/zinc/44/57/80/441445780.db2.gz CKLHYOGIUGFINZ-INIZCTEOSA-N 0 0 348.443 1.826 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)NC[C@@H](C)N1CCOCC1)CO2 ZINC000087087614 441480470 /nfs/dbraw/zinc/48/04/70/441480470.db2.gz RHLUMEUJCBKAMS-CYBMUJFWSA-N 0 0 332.400 1.308 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C(=O)NC)c1 ZINC000087563503 441493656 /nfs/dbraw/zinc/49/36/56/441493656.db2.gz GWPFMUMKDKXPES-CYBMUJFWSA-N 0 0 327.388 1.465 10 0 EDAERN COc1ccc(CCCN(C)C(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000052524579 441457358 /nfs/dbraw/zinc/45/73/58/441457358.db2.gz NMAKWLARWTUYPZ-MRXNPFEDSA-N 0 0 349.475 1.990 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1F ZINC000052606172 441464403 /nfs/dbraw/zinc/46/44/03/441464403.db2.gz APKZHMQEDDCJJC-HNNXBMFYSA-N 0 0 342.436 1.988 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000086432116 441465978 /nfs/dbraw/zinc/46/59/78/441465978.db2.gz OEDOUGAJWPSGKT-QMMMGPOBSA-N 0 0 344.209 1.247 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(CCOC)n2)cc1 ZINC000086432365 441466258 /nfs/dbraw/zinc/46/62/58/441466258.db2.gz YKVBEQLKFVOEQC-ZDUSSCGKSA-N 0 0 344.415 1.908 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)[C@@H]2CNC(=O)C2)cc1Br ZINC000110347588 441516875 /nfs/dbraw/zinc/51/68/75/441516875.db2.gz VPMJPCFAMMVJQR-SCZZXKLOSA-N 0 0 341.205 1.771 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000076031416 441580096 /nfs/dbraw/zinc/58/00/96/441580096.db2.gz ULGYCCCIKLNYNN-XHDPSFHLSA-N 0 0 334.397 1.896 10 0 EDAERN O=S(=O)(NCCN1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000114203121 441641518 /nfs/dbraw/zinc/64/15/18/441641518.db2.gz MRYHDMZTGIETER-INIZCTEOSA-N 0 0 334.445 1.915 10 0 EDAERN CCCNc1nnc(S(=O)(=O)Cc2nnc(C)n2CC)s1 ZINC000090989088 441646702 /nfs/dbraw/zinc/64/67/02/441646702.db2.gz WKYNZJYJXDRIQJ-UHFFFAOYSA-N 0 0 330.439 1.254 10 0 EDAERN CCOC(=O)C1CCN(C(=O)CN2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000114483955 441663518 /nfs/dbraw/zinc/66/35/18/441663518.db2.gz ZONGAPJMQAFQSI-INIZCTEOSA-N 0 0 348.447 1.738 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000114838414 441688912 /nfs/dbraw/zinc/68/89/12/441688912.db2.gz ZKYGAPKIXUJRDI-UONOGXRCSA-N 0 0 338.452 1.086 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)/C=C/c1ccccc1)CC2 ZINC000114875052 441694597 /nfs/dbraw/zinc/69/45/97/441694597.db2.gz YRGKIXKHZUMYJF-PLSXKVAHSA-N 0 0 332.429 1.746 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3nc(C)cs3)CCO2)[nH]1 ZINC000136626386 441707762 /nfs/dbraw/zinc/70/77/62/441707762.db2.gz HAXHIQZSZBDRQR-JTQLQIEISA-N 0 0 336.421 1.415 10 0 EDAERN COc1ccc(C(=O)NC(=O)CN2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000173316977 441711625 /nfs/dbraw/zinc/71/16/25/441711625.db2.gz LCJCIBAMRAMSEF-INIZCTEOSA-N 0 0 342.399 1.522 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccnc2C)ncn1 ZINC000173423134 441744992 /nfs/dbraw/zinc/74/49/92/441744992.db2.gz DNGFZKCMHFESMG-CYBMUJFWSA-N 0 0 326.404 1.621 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CCC(=O)N(C)c1ccccc1 ZINC000158555992 441745457 /nfs/dbraw/zinc/74/54/57/441745457.db2.gz WVWBTSSHESGMCU-HSZRJFAPSA-N 0 0 335.433 1.556 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)COCC(F)(F)F)ncn1 ZINC000173426264 441745598 /nfs/dbraw/zinc/74/55/98/441745598.db2.gz YTTCJAWRIANTPB-SNVBAGLBSA-N 0 0 347.341 1.182 10 0 EDAERN C[C@@H](CNC(=O)NCC1([C@@H](O)c2ccccc2)CC1)N1CCOCC1 ZINC000121632999 441746901 /nfs/dbraw/zinc/74/69/01/441746901.db2.gz NHUQOZLQZVQFPB-RDJZCZTQSA-N 0 0 347.459 1.520 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3cccc(C)n3)CCO2)[nH]1 ZINC000137154601 441749956 /nfs/dbraw/zinc/74/99/56/441749956.db2.gz FZFUYWPJUYBTKX-ZDUSSCGKSA-N 0 0 330.392 1.354 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2OC)ncn1 ZINC000173442634 441752146 /nfs/dbraw/zinc/75/21/46/441752146.db2.gz MGXPKDXCDUXRMD-CYBMUJFWSA-N 0 0 341.415 1.926 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)C12CCCC2 ZINC000173461714 441758515 /nfs/dbraw/zinc/75/85/15/441758515.db2.gz LDCYBXLVJOONEJ-ZIAGYGMSSA-N 0 0 335.452 1.993 10 0 EDAERN O=C(CCc1nc(C2CCCC2)no1)N[C@H]1CCc2ncnn2C1 ZINC000137248064 441759204 /nfs/dbraw/zinc/75/92/04/441759204.db2.gz PWDGYDKVCSFJJO-LBPRGKRZSA-N 0 0 330.392 1.383 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000137313798 441763325 /nfs/dbraw/zinc/76/33/25/441763325.db2.gz OJMLPGIVRRURRS-UONOGXRCSA-N 0 0 326.437 1.145 10 0 EDAERN C[C@H](NS(=O)(=O)N1CCCCCC1)c1nnc2n1CCCC2 ZINC000121716574 441764468 /nfs/dbraw/zinc/76/44/68/441764468.db2.gz SWSQEQWVMJQXHN-LBPRGKRZSA-N 0 0 327.454 1.386 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000077370063 441764908 /nfs/dbraw/zinc/76/49/08/441764908.db2.gz KBLDDXRDASLVOW-ZIAGYGMSSA-N 0 0 345.443 1.304 10 0 EDAERN NC(=O)N[C@H](CC(=O)NC[C@@H]1CCCC[C@@H]1O)c1cccs1 ZINC000077149830 441723861 /nfs/dbraw/zinc/72/38/61/441723861.db2.gz MXBAZJFNSOPRFG-TUAOUCFPSA-N 0 0 325.434 1.515 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000173370527 441727468 /nfs/dbraw/zinc/72/74/68/441727468.db2.gz OYVLUOOGCZHESQ-QWHCGFSZSA-N 0 0 349.435 1.499 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCCN3CCCCCC3=O)C2)cn1 ZINC000116413079 441818620 /nfs/dbraw/zinc/81/86/20/441818620.db2.gz ZSOLNLHUKKFLBJ-HNNXBMFYSA-N 0 0 347.463 1.712 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccc2c(c1)CCCN2C)N1CCOCC1 ZINC000068314139 441772226 /nfs/dbraw/zinc/77/22/26/441772226.db2.gz PTEMJMADRWQWIL-AWEZNQCLSA-N 0 0 332.448 1.911 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(-c4cccs4)n[nH]3)CCO2)[nH]1 ZINC000173527720 441778480 /nfs/dbraw/zinc/77/84/80/441778480.db2.gz OSUVBZJKODREBQ-LBPRGKRZSA-N 0 0 344.400 1.778 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(C(=O)NC4CC4)cc3)C2)cn1 ZINC000121816776 441786866 /nfs/dbraw/zinc/78/68/66/441786866.db2.gz PYQGJKUFMNRNNV-OAHLLOKOSA-N 0 0 338.411 1.942 10 0 EDAERN Cc1cc(C)nc(SCC(=O)N2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000116230783 441803363 /nfs/dbraw/zinc/80/33/63/441803363.db2.gz WQGIWKRGCCSBLE-CYBMUJFWSA-N 0 0 331.445 1.935 10 0 EDAERN O=C(NCC1(c2cccc(F)c2)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173893624 441857871 /nfs/dbraw/zinc/85/78/71/441857871.db2.gz OYUARBHMSVDTMV-QGZVFWFLSA-N 0 0 347.434 1.973 10 0 EDAERN O=C(N[C@H]1CCOc2ccc(F)cc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173909022 441859993 /nfs/dbraw/zinc/85/99/93/441859993.db2.gz MQPKAAFGMLGHFD-HOCLYGCPSA-N 0 0 349.406 1.765 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCC(C)(C)OC)CC2)cn1 ZINC000173974114 441872284 /nfs/dbraw/zinc/87/22/84/441872284.db2.gz UOXAXGDCSRFMML-UHFFFAOYSA-N 0 0 337.468 1.545 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3nccn3CC(F)(F)F)CCO2)[nH]1 ZINC000173687906 441824344 /nfs/dbraw/zinc/82/43/44/441824344.db2.gz DBQJAABWCLBZPO-SNVBAGLBSA-N 0 0 344.341 1.699 10 0 EDAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116520048 441827843 /nfs/dbraw/zinc/82/78/43/441827843.db2.gz GVWCWTRIDCETBQ-CQSZACIVSA-N 0 0 349.412 1.974 10 0 EDAERN COc1ccc(CCNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173764867 441836531 /nfs/dbraw/zinc/83/65/31/441836531.db2.gz JXTGPBXAZIQVCE-INIZCTEOSA-N 0 0 333.432 1.354 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(NC(N)=O)c2)C[C@H]1CC ZINC000116768096 441841007 /nfs/dbraw/zinc/84/10/07/441841007.db2.gz SWADDCZXNAVKQY-MRXNPFEDSA-N 0 0 348.447 1.750 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000043482785 441841030 /nfs/dbraw/zinc/84/10/30/441841030.db2.gz DHXKOHJLOPMBNJ-GFCCVEGCSA-N 0 0 348.428 1.810 10 0 EDAERN CCOCCO[C@@H](C)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116777941 441842896 /nfs/dbraw/zinc/84/28/96/441842896.db2.gz XCTKXSPFJOQIOI-BBRMVZONSA-N 0 0 338.452 1.575 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(C(=O)NC)c2)C[C@@H]1C ZINC000173804210 441843247 /nfs/dbraw/zinc/84/32/47/441843247.db2.gz PANJJJPJYBTHQD-AWEZNQCLSA-N 0 0 333.432 1.229 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(CC)C1)c1ccccc1C ZINC000173816164 441844520 /nfs/dbraw/zinc/84/45/20/441844520.db2.gz CTKHXRHTVCUGFH-HOCLYGCPSA-N 0 0 346.427 1.974 10 0 EDAERN COCCCCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000174444599 441924879 /nfs/dbraw/zinc/92/48/79/441924879.db2.gz WUISREBNLVVANG-UHFFFAOYSA-N 0 0 339.440 1.412 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@H](O)c3ccccc3)CC2)no1 ZINC000174774666 441968266 /nfs/dbraw/zinc/96/82/66/441968266.db2.gz KLLKXFCOOOJLAH-MRXNPFEDSA-N 0 0 330.388 1.146 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000119898944 441972759 /nfs/dbraw/zinc/97/27/59/441972759.db2.gz ZARJCAXSWSZARI-UONOGXRCSA-N 0 0 348.447 1.993 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1nc[nH]n1)C(C)C ZINC000174535754 441936290 /nfs/dbraw/zinc/93/62/90/441936290.db2.gz SFRQBIURBWTRCD-OCCSQVGLSA-N 0 0 329.404 1.745 10 0 EDAERN Cc1nc(SCC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)n[nH]1 ZINC000174657919 441951421 /nfs/dbraw/zinc/95/14/21/441951421.db2.gz WOVWLOZROWJGRS-GFCCVEGCSA-N 0 0 334.449 1.919 10 0 EDAERN Cc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c(Br)n1 ZINC000124877752 441962079 /nfs/dbraw/zinc/96/20/79/441962079.db2.gz ZKWICLXXNXYADH-JTQLQIEISA-N 0 0 328.210 1.213 10 0 EDAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124885061 441963597 /nfs/dbraw/zinc/96/35/97/441963597.db2.gz DZFFFCPGEHHKDP-CQSZACIVSA-N 0 0 336.461 1.438 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cncc(O)c2)ncn1 ZINC000174743785 441964230 /nfs/dbraw/zinc/96/42/30/441964230.db2.gz VZKUOXRJZSMSKU-LBPRGKRZSA-N 0 0 328.376 1.018 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)NCC(F)F)N2CCOCC2)s1 ZINC000174991370 441991341 /nfs/dbraw/zinc/99/13/41/441991341.db2.gz KXMFGSFUYLMMBI-LLVKDONJSA-N 0 0 333.404 1.994 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@](C)(O)CCC(C)C ZINC000175055351 441998906 /nfs/dbraw/zinc/99/89/06/441998906.db2.gz QVKBXXNOTJSMBB-GDBMZVCRSA-N 0 0 348.509 1.494 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCCn1ccnc1C)CC2 ZINC000174969566 441990528 /nfs/dbraw/zinc/99/05/28/441990528.db2.gz QAQFPVPSSZRFNY-CQSZACIVSA-N 0 0 345.451 1.440 10 0 EDAERN COc1cccc(O[C@H](C)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000175121303 442007598 /nfs/dbraw/zinc/00/75/98/442007598.db2.gz YYBZYSALGRLOFZ-CHWSQXEVSA-N 0 0 345.403 1.368 10 0 EDAERN CCC[C@@H](CCO)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000175133105 442008047 /nfs/dbraw/zinc/00/80/47/442008047.db2.gz SRWHVJHANFHRTO-UONOGXRCSA-N 0 0 337.468 1.814 10 0 EDAERN CC(C)c1nc(C2(NC(=O)[C@H](C)CS(C)(=O)=O)CCCC2)no1 ZINC000175185872 442012927 /nfs/dbraw/zinc/01/29/27/442012927.db2.gz ZDSMEBWPHMMHDL-LLVKDONJSA-N 0 0 343.449 1.759 10 0 EDAERN O=C(NC1CC1)C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000162000902 442054388 /nfs/dbraw/zinc/05/43/88/442054388.db2.gz FCJRWVMKXNJCPZ-CHWSQXEVSA-N 0 0 342.317 1.618 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCOc3cccc(F)c3)CCO2)[nH]1 ZINC000175408149 442057430 /nfs/dbraw/zinc/05/74/30/442057430.db2.gz MSGAVJOIXGTZOJ-CQSZACIVSA-N 0 0 349.366 1.414 10 0 EDAERN Cc1ccc(CCNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000175790454 442122304 /nfs/dbraw/zinc/12/23/04/442122304.db2.gz GRKHYJUMJUHYQB-FUHWJXTLSA-N 0 0 331.460 1.900 10 0 EDAERN Cc1noc(CCNC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000175789518 442122451 /nfs/dbraw/zinc/12/24/51/442122451.db2.gz RDFPQDKBJCAWKO-NWDGAFQWSA-N 0 0 338.408 1.730 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c(C)o1 ZINC000175794181 442123774 /nfs/dbraw/zinc/12/37/74/442123774.db2.gz DJJHNNNVZWVPCU-OLZOCXBDSA-N 0 0 342.417 1.280 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1c(OC)cccc1OC)CC2 ZINC000120573667 442097104 /nfs/dbraw/zinc/09/71/04/442097104.db2.gz PRFLYYMSKZDDFD-GFCCVEGCSA-N 0 0 344.415 1.531 10 0 EDAERN COCc1ccc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000175665110 442101947 /nfs/dbraw/zinc/10/19/47/442101947.db2.gz NJESTNFKQPCOFN-QAPCUYQASA-N 0 0 347.459 1.695 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000120633380 442108646 /nfs/dbraw/zinc/10/86/46/442108646.db2.gz WPZBYFACKRBPPY-VIFPVBQESA-N 0 0 336.417 1.175 10 0 EDAERN COc1cccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000176048808 442166931 /nfs/dbraw/zinc/16/69/31/442166931.db2.gz ZOCSJOZNOXIJDN-OAHLLOKOSA-N 0 0 329.404 1.969 10 0 EDAERN Cc1csc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)n1 ZINC000176054076 442167817 /nfs/dbraw/zinc/16/78/17/442167817.db2.gz VCGKVPYXWMJYJY-UHFFFAOYSA-N 0 0 333.417 1.530 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)CNC(=O)c3cccnc3)C2)n1 ZINC000163792557 442182899 /nfs/dbraw/zinc/18/28/99/442182899.db2.gz PTAUZWZONOBPIW-AWEZNQCLSA-N 0 0 344.440 1.983 10 0 EDAERN CN(C(=O)NC1C2CC3CC(C2)CC1C3)[C@H]1CCS(=O)(=O)C1 ZINC000127244908 442185572 /nfs/dbraw/zinc/18/55/72/442185572.db2.gz SQWQWOLRLZXHKW-BPHCLYMKSA-N 0 0 326.462 1.640 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000121172843 442187466 /nfs/dbraw/zinc/18/74/66/442187466.db2.gz VKNFKSOMNNLJLA-OAHLLOKOSA-N 0 0 341.367 1.650 10 0 EDAERN CN(C(=O)NCc1ccnn1C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152262069 442190003 /nfs/dbraw/zinc/19/00/03/442190003.db2.gz IQFXOPSZBBYPBK-CQSZACIVSA-N 0 0 329.408 1.021 10 0 EDAERN CCOc1cccnc1C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000176367609 442214491 /nfs/dbraw/zinc/21/44/91/442214491.db2.gz DFCDDVOQUKJJKN-AWEZNQCLSA-N 0 0 330.388 1.526 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCOC3(CCCC3)C1)CC2 ZINC000152451953 442214599 /nfs/dbraw/zinc/21/45/99/442214599.db2.gz AKLWUNIQZUMZMS-ZIAGYGMSSA-N 0 0 347.463 1.946 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@H](C)Sc3ccccn3)CCO2)[nH]1 ZINC000152455205 442215152 /nfs/dbraw/zinc/21/51/52/442215152.db2.gz NHTOTMOTMAUKES-NWDGAFQWSA-N 0 0 347.444 1.843 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)CC2 ZINC000152496016 442220049 /nfs/dbraw/zinc/22/00/49/442220049.db2.gz NXDOFPHMTIWQHI-ZDUSSCGKSA-N 0 0 337.387 1.370 10 0 EDAERN O=C(NCCCN1CCCCCC1=O)NC[C@H]1CCCC[C@H]1O ZINC000152984602 442255224 /nfs/dbraw/zinc/25/52/24/442255224.db2.gz ZBMVIABTHZRPBV-HUUCEWRRSA-N 0 0 325.453 1.629 10 0 EDAERN C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1cccc(Cl)c1 ZINC000176437539 442222080 /nfs/dbraw/zinc/22/20/80/442222080.db2.gz ROIYNGLPKRTIGM-DOMZBBRYSA-N 0 0 341.839 1.737 10 0 EDAERN C=CCN1CCN(c2cccc(OS(C)(=O)=O)c2Cl)CC1 ZINC000167789288 442222417 /nfs/dbraw/zinc/22/24/17/442222417.db2.gz JKGSTKZWRWDIPD-UHFFFAOYSA-N 0 0 330.837 1.986 10 0 EDAERN CN(C)[C@@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000127737828 442222684 /nfs/dbraw/zinc/22/26/84/442222684.db2.gz GKKXJHBQVIARPS-DOTOQJQBSA-N 0 0 327.432 1.820 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cnc(NC)s3)CC2)cn1 ZINC000153007940 442255757 /nfs/dbraw/zinc/25/57/57/442255757.db2.gz AWGHGEHWNVVNSG-UHFFFAOYSA-N 0 0 348.476 1.749 10 0 EDAERN CCO[C@H](C)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000176574213 442236157 /nfs/dbraw/zinc/23/61/57/442236157.db2.gz WIFPJGKLKAJHDV-ZIAGYGMSSA-N 0 0 326.462 1.971 10 0 EDAERN O=C(/C=C/c1ccnc2ccccc12)NC[C@@H](O)CN1CCOCC1 ZINC000128058648 442242341 /nfs/dbraw/zinc/24/23/41/442242341.db2.gz BHVXBYPFHAKUCS-SQRWCISFSA-N 0 0 341.411 1.057 10 0 EDAERN COc1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1OC ZINC000176830974 442262106 /nfs/dbraw/zinc/26/21/06/442262106.db2.gz KWFYIBJHAWCASC-LBPRGKRZSA-N 0 0 331.376 1.630 10 0 EDAERN COc1cccc(CC(=O)N2CCN(C(=O)N[C@@H]3C[C@@H]3C)CC2)c1 ZINC000170808074 442266802 /nfs/dbraw/zinc/26/68/02/442266802.db2.gz AEPYBHWXFVRGCW-XJKSGUPXSA-N 0 0 331.416 1.500 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)C[C@@H]1N1CCOCC1 ZINC000176990815 442281204 /nfs/dbraw/zinc/28/12/04/442281204.db2.gz KBBHNKRCXOMMQZ-FZMZJTMJSA-N 0 0 346.399 1.306 10 0 EDAERN CC1(C)CN(CCNC(=O)N[C@H]2CCOc3ccccc32)CCO1 ZINC000171003195 442297213 /nfs/dbraw/zinc/29/72/13/442297213.db2.gz PAYKBBCUPWUMQY-HNNXBMFYSA-N 0 0 333.432 1.920 10 0 EDAERN C[C@H]1CN(Cc2nc(-c3ccsc3)no2)C[C@@H]1N1CCOCC1 ZINC000177256546 442320997 /nfs/dbraw/zinc/32/09/97/442320997.db2.gz LBJXNSJZBYLXEI-JSGCOSHPSA-N 0 0 334.445 1.951 10 0 EDAERN Cn1c2cccc(C(=O)N3CC[C@@H](Oc4cccnc4)C3)c2oc1=O ZINC000129523961 442321362 /nfs/dbraw/zinc/32/13/62/442321362.db2.gz TUBODCKLYSNXLQ-CYBMUJFWSA-N 0 0 339.351 1.820 10 0 EDAERN CC(=O)NC1(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)CCCCC1 ZINC000171234006 442331613 /nfs/dbraw/zinc/33/16/13/442331613.db2.gz YOHUOXRWLSJKAQ-HNNXBMFYSA-N 0 0 348.447 1.998 10 0 EDAERN NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000129836212 442333017 /nfs/dbraw/zinc/33/30/17/442333017.db2.gz GRVMECBJVULJRO-HNNXBMFYSA-N 0 0 348.428 1.114 10 0 EDAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177396119 442336443 /nfs/dbraw/zinc/33/64/43/442336443.db2.gz XULCJEOFXGOOKH-MRXNPFEDSA-N 0 0 343.427 1.647 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)cc1 ZINC000177469615 442345000 /nfs/dbraw/zinc/34/50/00/442345000.db2.gz SEVXXYVKWMKNBC-LBPRGKRZSA-N 0 0 344.419 1.811 10 0 EDAERN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000171403935 442345447 /nfs/dbraw/zinc/34/54/47/442345447.db2.gz NGNBURXLWFKGHW-NWDGAFQWSA-N 0 0 346.349 1.920 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000171404004 442345737 /nfs/dbraw/zinc/34/57/37/442345737.db2.gz LCMJXGALJRHYFA-CQSZACIVSA-N 0 0 349.431 1.933 10 0 EDAERN CCn1ccnc1CS(=O)(=O)c1nnc(-c2ccccc2C)n1C ZINC000177508485 442351236 /nfs/dbraw/zinc/35/12/36/442351236.db2.gz WRFSQTXBOXCBEL-UHFFFAOYSA-N 0 0 345.428 1.981 10 0 EDAERN CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177625621 442364390 /nfs/dbraw/zinc/36/43/90/442364390.db2.gz MXDUGNDOZFMLOH-SMDDNHRTSA-N 0 0 343.387 1.055 10 0 EDAERN O=S(=O)(Cc1csc(-c2ccc(Cl)cc2)n1)C[C@H](O)CO ZINC000177671270 442368821 /nfs/dbraw/zinc/36/88/21/442368821.db2.gz LZACOVAXUFTFPX-GFCCVEGCSA-N 0 0 347.845 1.732 10 0 EDAERN COc1ccccc1C(=O)NCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000154996438 442369001 /nfs/dbraw/zinc/36/90/01/442369001.db2.gz ADWDISOPEFHMBD-UHFFFAOYSA-N 0 0 342.399 1.554 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3ccc(C)nc3C)CC2)no1 ZINC000171787617 442381342 /nfs/dbraw/zinc/38/13/42/442381342.db2.gz GTFQELJDAVJHEU-UHFFFAOYSA-N 0 0 329.404 1.738 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)n1 ZINC000155388378 442394144 /nfs/dbraw/zinc/39/41/44/442394144.db2.gz OSIXTASHWILOQN-AWEZNQCLSA-N 0 0 344.371 1.159 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C)CCN1CCOC ZINC000172017828 442399979 /nfs/dbraw/zinc/39/99/79/442399979.db2.gz PYBSWZJBYJKBAN-OAHLLOKOSA-N 0 0 333.432 1.503 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc(-n3cccn3)cc2)n1 ZINC000155486358 442401631 /nfs/dbraw/zinc/40/16/31/442401631.db2.gz UVFAMLGXVMWAAE-OAHLLOKOSA-N 0 0 339.355 1.777 10 0 EDAERN O=C(Nc1cccc(-n2ccnc2)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177551233 442356574 /nfs/dbraw/zinc/35/65/74/442356574.db2.gz SOHRAHGGZQRMBY-XJKSGUPXSA-N 0 0 342.399 1.478 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000177561078 442357159 /nfs/dbraw/zinc/35/71/59/442357159.db2.gz ZDSNPQLWVJQMAJ-HOCLYGCPSA-N 0 0 348.447 1.695 10 0 EDAERN CSc1ncc(Cl)c(C(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000171579503 442358786 /nfs/dbraw/zinc/35/87/86/442358786.db2.gz NCEYHHYZSCTCQR-VIFPVBQESA-N 0 0 338.824 1.921 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000172121065 442410968 /nfs/dbraw/zinc/41/09/68/442410968.db2.gz OQWNABVVRGUCLP-OAHLLOKOSA-N 0 0 348.428 1.566 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)Cc3cc(C)on3)CC2)n1 ZINC000172136104 442413522 /nfs/dbraw/zinc/41/35/22/442413522.db2.gz WKCLCFSBSAQCAU-LBPRGKRZSA-N 0 0 333.392 1.376 10 0 EDAERN COCC[S@](=O)Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000172144362 442415407 /nfs/dbraw/zinc/41/54/07/442415407.db2.gz PETFEMXOLDAPER-FFYNENJZSA-N 0 0 338.429 1.045 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)C1 ZINC000155654846 442416549 /nfs/dbraw/zinc/41/65/49/442416549.db2.gz QECXPAROHCZHCI-AWEZNQCLSA-N 0 0 344.415 1.206 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NC[C@@H]3CCCO3)CC2)cs1 ZINC000172166324 442418205 /nfs/dbraw/zinc/41/82/05/442418205.db2.gz AKMJPZGCMMCBNX-HNNXBMFYSA-N 0 0 338.477 1.848 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000155756192 442424602 /nfs/dbraw/zinc/42/46/02/442424602.db2.gz NYIPWHPDZFOFIU-NSHDSACASA-N 0 0 326.299 1.457 10 0 EDAERN O=C(CCN1CCCS1(=O)=O)N1CCCC[C@@H]1c1nccs1 ZINC000172214690 442424941 /nfs/dbraw/zinc/42/49/41/442424941.db2.gz GMJJSDBNSYIGIF-GFCCVEGCSA-N 0 0 343.474 1.622 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3ccccc3n2)C[C@H]1C ZINC000172219104 442425235 /nfs/dbraw/zinc/42/52/35/442425235.db2.gz OHSIPXDWWPUEST-CQSZACIVSA-N 0 0 328.416 1.813 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnc3ccccc3n2)C[C@@H]1C ZINC000172219101 442425449 /nfs/dbraw/zinc/42/54/49/442425449.db2.gz OHSIPXDWWPUEST-AWEZNQCLSA-N 0 0 328.416 1.813 10 0 EDAERN C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000172242588 442428581 /nfs/dbraw/zinc/42/85/81/442428581.db2.gz ICVPQRFYXVPJJX-UTLUCORTSA-N 0 0 330.372 1.840 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000172267793 442432983 /nfs/dbraw/zinc/43/29/83/442432983.db2.gz AHZNPNAJIXQDAP-CXAGYDPISA-N 0 0 333.432 1.857 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)C(C)C ZINC000178456594 442435656 /nfs/dbraw/zinc/43/56/56/442435656.db2.gz LPNXBCLCTWZZQX-HUUCEWRRSA-N 0 0 346.431 1.252 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)CCO2)c1 ZINC000155915562 442436522 /nfs/dbraw/zinc/43/65/22/442436522.db2.gz RELSWGLYDZRMAC-XJKSGUPXSA-N 0 0 345.447 1.953 10 0 EDAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172303839 442439655 /nfs/dbraw/zinc/43/96/55/442439655.db2.gz KHAOQGYMXVNAPB-LBPRGKRZSA-N 0 0 348.428 1.006 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC000178583721 442445693 /nfs/dbraw/zinc/44/56/93/442445693.db2.gz BRDKJAWOWMIEPJ-IAGOWNOFSA-N 0 0 331.460 1.928 10 0 EDAERN COc1cc(C)cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000156072086 442445924 /nfs/dbraw/zinc/44/59/24/442445924.db2.gz PHKRDGWREAXOFT-ZDUSSCGKSA-N 0 0 342.399 1.898 10 0 EDAERN O=C(c1ncn(-c2ccccc2)n1)N1CCCN(c2cccnn2)CC1 ZINC000156117509 442448970 /nfs/dbraw/zinc/44/89/70/442448970.db2.gz OKZXLNJXOCRIGK-UHFFFAOYSA-N 0 0 349.398 1.410 10 0 EDAERN COc1cc(F)c(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1F ZINC000156155828 442451413 /nfs/dbraw/zinc/45/14/13/442451413.db2.gz LCJYYVQYUDVQRP-NSHDSACASA-N 0 0 341.358 1.912 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)CC2 ZINC000134137556 442452364 /nfs/dbraw/zinc/45/23/64/442452364.db2.gz LCRSWUAODXITTH-ZDUSSCGKSA-N 0 0 349.479 1.775 10 0 EDAERN CCN(C)C(=O)CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000186205861 442486320 /nfs/dbraw/zinc/48/63/20/442486320.db2.gz LLWPFZAPYBYHQL-JKSUJKDBSA-N 0 0 333.432 1.762 10 0 EDAERN CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172548396 442487167 /nfs/dbraw/zinc/48/71/67/442487167.db2.gz MOFXYHXSXNMGEO-LLVKDONJSA-N 0 0 337.424 1.403 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000186207374 442487274 /nfs/dbraw/zinc/48/72/74/442487274.db2.gz WUEIXRUXJHXGFW-ZDUSSCGKSA-N 0 0 347.419 1.743 10 0 EDAERN CCO[C@@H]1C[C@@](O)(CNC(=O)[C@@H](C)NC(=O)c2ccco2)C1(C)C ZINC000191693435 442490969 /nfs/dbraw/zinc/49/09/69/442490969.db2.gz UTEJHHGPYQQTLG-CJBNDPTMSA-N 0 0 338.404 1.080 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000191700359 442492171 /nfs/dbraw/zinc/49/21/71/442492171.db2.gz MWWFZAIVMYCACR-KRWDZBQOSA-N 0 0 343.383 1.888 10 0 EDAERN CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178840902 442499249 /nfs/dbraw/zinc/49/92/49/442499249.db2.gz WNDLSQXZKORYOV-CQSZACIVSA-N 0 0 340.445 1.371 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)C(C)C ZINC000178849149 442501555 /nfs/dbraw/zinc/50/15/55/442501555.db2.gz HNEOMGICFTXZNY-NVXWUHKLSA-N 0 0 345.443 1.107 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)cn1 ZINC000191740013 442503075 /nfs/dbraw/zinc/50/30/75/442503075.db2.gz HEFJVZSBLRQKIT-OAHLLOKOSA-N 0 0 325.372 1.993 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCC(=O)NC1CC1)CC2 ZINC000156701351 442510685 /nfs/dbraw/zinc/51/06/85/442510685.db2.gz GXXYSUKHMLFGEG-CYBMUJFWSA-N 0 0 348.451 1.074 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000156262355 442460971 /nfs/dbraw/zinc/46/09/71/442460971.db2.gz IEPKOWUZCKNCNQ-UONOGXRCSA-N 0 0 341.477 1.855 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000191554153 442463748 /nfs/dbraw/zinc/46/37/48/442463748.db2.gz DPHCYXSZCQMBLR-DZKIICNBSA-N 0 0 347.459 1.814 10 0 EDAERN CN(C(=O)NCC1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000172457482 442465778 /nfs/dbraw/zinc/46/57/78/442465778.db2.gz LYURPVSWRDEBEQ-HNNXBMFYSA-N 0 0 333.436 1.513 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@H](C)CN3CCOCC3)CC2)cn1 ZINC000156386199 442475491 /nfs/dbraw/zinc/47/54/91/442475491.db2.gz YIWQCIHXBFKUJH-OAHLLOKOSA-N 0 0 349.479 1.513 10 0 EDAERN O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172752215 442533791 /nfs/dbraw/zinc/53/37/91/442533791.db2.gz AVWYYIRHUOWUEP-ZDUSSCGKSA-N 0 0 345.374 1.214 10 0 EDAERN CC[C@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CCN1CCOC ZINC000191889962 442533919 /nfs/dbraw/zinc/53/39/19/442533919.db2.gz WIPCTUZFLGMMDA-RDJZCZTQSA-N 0 0 346.431 1.144 10 0 EDAERN CNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)nc1 ZINC000186488835 442545073 /nfs/dbraw/zinc/54/50/73/442545073.db2.gz RNBZGCFJHVGOLJ-SNVBAGLBSA-N 0 0 338.389 1.774 10 0 EDAERN Cc1c(CNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cnn1C ZINC000179004792 442550453 /nfs/dbraw/zinc/55/04/53/442550453.db2.gz ZKLITCIZMLZLIV-CQSZACIVSA-N 0 0 348.428 1.446 10 0 EDAERN O=C(c1cccc(OCC(F)F)n1)N1CCC[C@@H](n2cncn2)C1 ZINC000179038547 442557153 /nfs/dbraw/zinc/55/71/53/442557153.db2.gz XSZIUWPOCXCTHR-LLVKDONJSA-N 0 0 337.330 1.794 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000134691151 442512258 /nfs/dbraw/zinc/51/22/58/442512258.db2.gz ZOJOOMDHIXKYHX-GFCCVEGCSA-N 0 0 328.210 1.295 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000134691178 442512770 /nfs/dbraw/zinc/51/27/70/442512770.db2.gz ZOJOOMDHIXKYHX-LBPRGKRZSA-N 0 0 328.210 1.295 10 0 EDAERN Cc1cnc([C@@H](C)CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)s1 ZINC000186366268 442519767 /nfs/dbraw/zinc/51/97/67/442519767.db2.gz FEQNHRBTKOHFFS-SMDDNHRTSA-N 0 0 346.456 1.951 10 0 EDAERN NC(=O)c1ccc(NC(=O)N2CCC(Nc3cccnn3)CC2)cc1 ZINC000172686319 442520996 /nfs/dbraw/zinc/52/09/96/442520996.db2.gz UZQVANXVVANFGT-UHFFFAOYSA-N 0 0 340.387 1.684 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)CCCSC)CC2)n1 ZINC000134859034 442528278 /nfs/dbraw/zinc/52/82/78/442528278.db2.gz WIHMCDUIDLQWLA-UHFFFAOYSA-N 0 0 338.477 1.976 10 0 EDAERN C[C@@H]1CN(CCN(Cc2ccccc2)S(C)(=O)=O)C[C@@H](C)O1 ZINC000191870535 442528714 /nfs/dbraw/zinc/52/87/14/442528714.db2.gz RJSNGQCNAVQXCG-HUUCEWRRSA-N 0 0 326.462 1.557 10 0 EDAERN Cc1oc(-c2ccco2)nc1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749936 442532882 /nfs/dbraw/zinc/53/28/82/442532882.db2.gz WKKNAWTWXUQIKT-AWEZNQCLSA-N 0 0 345.399 1.719 10 0 EDAERN CCCCN(CC)c1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000180269592 442569814 /nfs/dbraw/zinc/56/98/14/442569814.db2.gz SIAGCKFAFBQXLH-MRXNPFEDSA-N 0 0 333.432 1.639 10 0 EDAERN Cc1nncn1CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000135254629 442573022 /nfs/dbraw/zinc/57/30/22/442573022.db2.gz GYXTVRYWNUYJJK-ZBFHGGJFSA-N 0 0 345.378 1.061 10 0 EDAERN COCCn1nc(C(=O)N[C@@H](C)COCc2ccccc2)ccc1=O ZINC000172956301 442573160 /nfs/dbraw/zinc/57/31/60/442573160.db2.gz SYVZYMNCOPDUQC-AWEZNQCLSA-N 0 0 345.399 1.225 10 0 EDAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1=O ZINC000135294573 442576382 /nfs/dbraw/zinc/57/63/82/442576382.db2.gz GTRMZCYIOFOSLJ-MELADBBJSA-N 0 0 347.463 1.829 10 0 EDAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000192042791 442577712 /nfs/dbraw/zinc/57/77/12/442577712.db2.gz JXMKGPZQNVYOSM-UKRRQHHQSA-N 0 0 345.447 1.489 10 0 EDAERN C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nnc2n1CCCC2 ZINC000135314905 442579049 /nfs/dbraw/zinc/57/90/49/442579049.db2.gz OSVYKCDYOIDNGR-LLVKDONJSA-N 0 0 328.372 1.763 10 0 EDAERN Cc1cc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)ccc1Br ZINC000179178391 442590824 /nfs/dbraw/zinc/59/08/24/442590824.db2.gz BJBUGMTYCRQFKI-VXGBXAGGSA-N 0 0 343.221 1.124 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000186692018 442593141 /nfs/dbraw/zinc/59/31/41/442593141.db2.gz GTODBYSFGJPNPP-GASCZTMLSA-N 0 0 339.480 1.647 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000186693009 442593980 /nfs/dbraw/zinc/59/39/80/442593980.db2.gz DSSOZQWHMVBKGM-CYBMUJFWSA-N 0 0 334.445 1.667 10 0 EDAERN COC(=O)c1ccc(CN2CCO[C@H](Cn3cccn3)C2)c(F)c1 ZINC000135449237 442598138 /nfs/dbraw/zinc/59/81/38/442598138.db2.gz VLADYDILLOUZEW-HNNXBMFYSA-N 0 0 333.363 1.710 10 0 EDAERN O=C(COc1cccc(N2CCCC2=O)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000179232753 442602413 /nfs/dbraw/zinc/60/24/13/442602413.db2.gz NZBPHBHDCUTRRL-RHSMWYFYSA-N 0 0 346.427 1.860 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3Cl)CCO2)[nH]1 ZINC000180224720 442561857 /nfs/dbraw/zinc/56/18/57/442561857.db2.gz XBCXNOSLYKZFTN-LBPRGKRZSA-N 0 0 349.778 1.305 10 0 EDAERN COc1ccccc1OCCN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192006125 442564540 /nfs/dbraw/zinc/56/45/40/442564540.db2.gz IPRXOSQLQKIFNE-HNNXBMFYSA-N 0 0 336.432 1.945 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C)c1 ZINC000180252001 442567460 /nfs/dbraw/zinc/56/74/60/442567460.db2.gz RYKQBQJVIGJUNZ-RDJZCZTQSA-N 0 0 345.443 1.421 10 0 EDAERN O=C(NC1CN(C(=O)NCCOc2ccc(F)c(F)c2)C1)C1CC1 ZINC000187042574 442648188 /nfs/dbraw/zinc/64/81/88/442648188.db2.gz GRMBCMAYZYDMCN-UHFFFAOYSA-N 0 0 339.342 1.264 10 0 EDAERN CCC[C@@H](C(=O)NCc1ccc(S(=O)(=O)CC)cc1)N(C)C ZINC000180739873 442654191 /nfs/dbraw/zinc/65/41/91/442654191.db2.gz LPIVOPCVJYMDED-HNNXBMFYSA-N 0 0 326.462 1.827 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)NC)c2)C12CCOCC2 ZINC000187143271 442655533 /nfs/dbraw/zinc/65/55/33/442655533.db2.gz QCWGDZMCKCBJCC-CVEARBPZSA-N 0 0 346.427 1.750 10 0 EDAERN Cc1c([C@H](C)NC[C@@H]2CN(C)CCO2)nnn1-c1ccc(F)cc1 ZINC000180491946 442610772 /nfs/dbraw/zinc/61/07/72/442610772.db2.gz KTSFUNIYGBIABX-BLLLJJGKSA-N 0 0 333.411 1.696 10 0 EDAERN CC(C)c1nc(CCNC(=O)N2CC(NC(=O)C3CC3)C2)cs1 ZINC000186794609 442614104 /nfs/dbraw/zinc/61/41/04/442614104.db2.gz SNPVZKQTZUXURO-UHFFFAOYSA-N 0 0 336.461 1.729 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(F)c(Cl)cc1F ZINC000135582299 442614941 /nfs/dbraw/zinc/61/49/41/442614941.db2.gz OQFOQQAXYUYWAF-SECBINFHSA-N 0 0 334.750 1.041 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)NCC2CC2)CC1 ZINC000192226351 442617188 /nfs/dbraw/zinc/61/71/88/442617188.db2.gz VEOFJILOPVVBKP-UHFFFAOYSA-N 0 0 325.453 1.844 10 0 EDAERN COC(=O)CN(CCc1ccccc1)Cc1nnc(C2CC2)n1C ZINC000180560211 442622223 /nfs/dbraw/zinc/62/22/23/442622223.db2.gz SPUSYYHOESKXSX-UHFFFAOYSA-N 0 0 328.416 1.910 10 0 EDAERN C[C@@H](CNC(=O)N1CCC(c2ccncc2)CC1)N1CCOCC1 ZINC000192304549 442629853 /nfs/dbraw/zinc/62/98/53/442629853.db2.gz BMBJGBCMBBPURZ-HNNXBMFYSA-N 0 0 332.448 1.691 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)nc2)C1 ZINC000157953268 442631415 /nfs/dbraw/zinc/63/14/15/442631415.db2.gz UPTMYNLXBJVXDI-LBPRGKRZSA-N 0 0 336.367 1.067 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCCOCC1CC1)CC2 ZINC000181411722 442695598 /nfs/dbraw/zinc/69/55/98/442695598.db2.gz UZALDJHKEAWGPO-AWEZNQCLSA-N 0 0 335.452 1.832 10 0 EDAERN CCOCCN1CCN(C(=O)CC(C)(C)CC(=O)OC)C[C@@H]1C ZINC000181457504 442698715 /nfs/dbraw/zinc/69/87/15/442698715.db2.gz KAXAZRNRZJLIFF-AWEZNQCLSA-N 0 0 328.453 1.535 10 0 EDAERN CC(C)CN1CCN(C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000187204918 442660533 /nfs/dbraw/zinc/66/05/33/442660533.db2.gz GWXVAPMNUYCISV-CYBMUJFWSA-N 0 0 348.451 1.185 10 0 EDAERN CSc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000187222185 442661514 /nfs/dbraw/zinc/66/15/14/442661514.db2.gz NRYYMSIUKKBXOG-LLVKDONJSA-N 0 0 345.428 1.898 10 0 EDAERN CC(C)(C)NC(=O)NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188158315 442718469 /nfs/dbraw/zinc/71/84/69/442718469.db2.gz MZISEGYTLKSRMB-STQMWFEESA-N 0 0 339.461 1.380 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)/C=C/c3cncc(O)c3)C2)n1 ZINC000182024381 442728738 /nfs/dbraw/zinc/72/87/38/442728738.db2.gz YAHSSGXWHDQARY-JFDDCEBESA-N 0 0 341.415 1.948 10 0 EDAERN CCO[C@@H](CNC(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000193392624 442738387 /nfs/dbraw/zinc/73/83/87/442738387.db2.gz QKQOORQYQKGAPU-WBVHZDCISA-N 0 0 335.448 1.784 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCc2csc3ccccc23)C1 ZINC000188437186 442750101 /nfs/dbraw/zinc/75/01/01/442750101.db2.gz XNFWOLCLJZMZJD-UHFFFAOYSA-N 0 0 347.440 1.600 10 0 EDAERN Cn1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)c(-c2ccccc2)n1 ZINC000188479042 442754607 /nfs/dbraw/zinc/75/46/07/442754607.db2.gz VKHKNUCWEFPNCQ-UHFFFAOYSA-N 0 0 338.411 1.828 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000188482645 442755107 /nfs/dbraw/zinc/75/51/07/442755107.db2.gz QEBKXLSMSXVOAP-BZUAXINKSA-N 0 0 336.819 1.889 10 0 EDAERN CSC[C@](C)(O)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181710033 442712006 /nfs/dbraw/zinc/71/20/06/442712006.db2.gz ALFFXNNKWZOHAY-XHDPSFHLSA-N 0 0 341.481 1.130 10 0 EDAERN CSC[C@@](C)(O)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181709995 442712071 /nfs/dbraw/zinc/71/20/71/442712071.db2.gz ALFFXNNKWZOHAY-NHYWBVRUSA-N 0 0 341.481 1.130 10 0 EDAERN CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181744184 442714216 /nfs/dbraw/zinc/71/42/16/442714216.db2.gz AEUZQTNIXOJFPP-ZIAGYGMSSA-N 0 0 335.452 1.927 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000188526856 442760464 /nfs/dbraw/zinc/76/04/64/442760464.db2.gz ASOGXTKMNAQHEM-ZYHUDNBSSA-N 0 0 332.278 1.505 10 0 EDAERN CC(C)CCNC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182395376 442763291 /nfs/dbraw/zinc/76/32/91/442763291.db2.gz ZXFIXABSIBVXBK-LBPRGKRZSA-N 0 0 344.481 1.404 10 0 EDAERN CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182395400 442763401 /nfs/dbraw/zinc/76/34/01/442763401.db2.gz GBQDHYLASCDOSC-LLVKDONJSA-N 0 0 344.481 1.547 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000188560859 442763618 /nfs/dbraw/zinc/76/36/18/442763618.db2.gz PQQRRWRBMGXIBG-UHFFFAOYSA-N 0 0 336.335 1.356 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000188563099 442763776 /nfs/dbraw/zinc/76/37/76/442763776.db2.gz CFRKUEFMMIEKGR-UHFFFAOYSA-N 0 0 336.335 1.356 10 0 EDAERN COCCN1CCN(C(=O)c2cnn(CCC(F)(F)F)c2)C[C@H]1C ZINC000182448091 442767907 /nfs/dbraw/zinc/76/79/07/442767907.db2.gz BJQJPAXCKPSKSL-GFCCVEGCSA-N 0 0 348.369 1.628 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(CCOC)[C@@H](C)C2)C12CCC2 ZINC000246316888 442772061 /nfs/dbraw/zinc/77/20/61/442772061.db2.gz NVDKXUUROHOAKE-ARFHVFGLSA-N 0 0 339.480 1.696 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1C(=O)NCC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000193890503 442807253 /nfs/dbraw/zinc/80/72/53/442807253.db2.gz WZHQSPMTSOVWSR-WWGRRREGSA-N 0 0 341.415 1.757 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000182524573 442780572 /nfs/dbraw/zinc/78/05/72/442780572.db2.gz DHSBKHHORUWFAY-SUMDDJOVSA-N 0 0 332.444 1.463 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)C[S@](C)=O)C(C)C ZINC000182816637 442830311 /nfs/dbraw/zinc/83/03/11/442830311.db2.gz BNSALXWWXHHULS-CYULLINESA-N 0 0 338.473 1.633 10 0 EDAERN CC(C)C(=O)Nc1nc(CC(=O)N2CCCNC(=O)[C@@H]2C)cs1 ZINC000188873885 442832331 /nfs/dbraw/zinc/83/23/31/442832331.db2.gz GFVFWSOURSCYBG-JTQLQIEISA-N 0 0 338.433 1.017 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2SCCc3sccc32)C[C@@H]1C ZINC000246776369 442811520 /nfs/dbraw/zinc/81/15/20/442811520.db2.gz IMUPRMCVVRWUFH-SLEUVZQESA-N 0 0 340.514 1.992 10 0 EDAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000193914873 442811522 /nfs/dbraw/zinc/81/15/22/442811522.db2.gz SBYLNGMOKMTFKE-WXHSDQCUSA-N 0 0 343.349 1.984 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)CCN1C[C@H](C)O ZINC000246950056 442823540 /nfs/dbraw/zinc/82/35/40/442823540.db2.gz SFPAKSAETXOWNX-OWOHRZCZSA-N 0 0 338.473 1.341 10 0 EDAERN CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000188949457 442847952 /nfs/dbraw/zinc/84/79/52/442847952.db2.gz IGSDUBGBZHTUJN-CYBMUJFWSA-N 0 0 342.399 1.622 10 0 EDAERN O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)N1CCc2ccccc2C1 ZINC000189013759 442861326 /nfs/dbraw/zinc/86/13/26/442861326.db2.gz XEFGHFULJSJKPN-SFHVURJKSA-N 0 0 339.443 1.890 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1ccc(OCc2nccn2C)cc1 ZINC000189075620 442872065 /nfs/dbraw/zinc/87/20/65/442872065.db2.gz RJNRRKUZLGRZAG-CQSZACIVSA-N 0 0 328.416 1.710 10 0 EDAERN CC(C)(C)OC(=O)[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)[C@H]1[NH3+] ZINC000248173417 442885246 /nfs/dbraw/zinc/88/52/46/442885246.db2.gz UEBZABGVZOODOF-RDTXWAMCSA-N 0 0 334.416 1.980 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)CC1 ZINC000189258410 442907340 /nfs/dbraw/zinc/90/73/40/442907340.db2.gz HINDKWBSOKDXMV-ZDUSSCGKSA-N 0 0 349.479 1.945 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCc3c2cccc3OC)CC1 ZINC000181988379 318495202 /nfs/dbraw/zinc/49/52/02/318495202.db2.gz ZBQNMTGBGPFFLW-PBHICJAKSA-N 0 0 347.459 1.781 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000189309380 442918026 /nfs/dbraw/zinc/91/80/26/442918026.db2.gz QRIMPNWBLXSIEB-MGPQQGTHSA-N 0 0 344.333 1.258 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000194611423 442923214 /nfs/dbraw/zinc/92/32/14/442923214.db2.gz ZLWGUDFRGVMRAC-ZDUSSCGKSA-N 0 0 334.807 1.791 10 0 EDAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2nc(C)nc3c2cnn3C)C1 ZINC000248831862 442928335 /nfs/dbraw/zinc/92/83/35/442928335.db2.gz INOLBUSKCNWJHI-JQWIXIFHSA-N 0 0 329.364 1.330 10 0 EDAERN COc1ccc([C@@H](NC[C@H](O)CN2CCCC2=O)C(F)(F)F)cc1 ZINC000183413389 442928356 /nfs/dbraw/zinc/92/83/56/442928356.db2.gz JWNFRZWBCBNSID-SWLSCSKDSA-N 0 0 346.349 1.872 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2c2nc(C)no2)c(C)s1 ZINC000183745735 442958506 /nfs/dbraw/zinc/95/85/06/442958506.db2.gz BBEGTFGDUIDCKO-LLVKDONJSA-N 0 0 343.430 1.819 10 0 EDAERN CCc1c(C(=O)N2CCOC[C@H]2c2nc(C)no2)[nH]c(C)c1C(C)=O ZINC000183761554 442960983 /nfs/dbraw/zinc/96/09/83/442960983.db2.gz UJGVFNUNHFIUOV-ZDUSSCGKSA-N 0 0 346.387 1.993 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000189470314 442962546 /nfs/dbraw/zinc/96/25/46/442962546.db2.gz AGROTHCMLDHKQW-OAHLLOKOSA-N 0 0 333.432 1.103 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)C1 ZINC000191502944 318573861 /nfs/dbraw/zinc/57/38/61/318573861.db2.gz LRURZZZIGPIJSO-UHFFFAOYSA-N 0 0 349.394 1.689 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)c1 ZINC000183831694 442968575 /nfs/dbraw/zinc/96/85/75/442968575.db2.gz BIIJSZUNTKRELN-CQSZACIVSA-N 0 0 344.390 1.808 10 0 EDAERN COC(=O)c1cncc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000193896745 318586720 /nfs/dbraw/zinc/58/67/20/318586720.db2.gz PVESIMAPFKPXRY-CYBMUJFWSA-N 0 0 336.369 1.987 10 0 EDAERN CC(C)c1nnc(CN2CCC[C@@H]2C(=O)NCc2ccco2)n1C ZINC000195062694 442980472 /nfs/dbraw/zinc/98/04/72/442980472.db2.gz KXPNJCHGVVZCFL-CQSZACIVSA-N 0 0 331.420 1.812 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1nncn1-c1ccccc1 ZINC000184253510 443005988 /nfs/dbraw/zinc/00/59/88/443005988.db2.gz KVTGBHQJTIRYTK-INIZCTEOSA-N 0 0 343.431 1.384 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCC[C@@H]3CCCCO3)CCO2)[nH]1 ZINC000184417736 443018809 /nfs/dbraw/zinc/01/88/09/443018809.db2.gz IMIBGGCHNZKZGI-KBPBESRZSA-N 0 0 337.424 1.545 10 0 EDAERN O=C(NCc1ncc(-c2ccccc2)cn1)N[C@H]1CCc2ncnn2C1 ZINC000184526787 443034899 /nfs/dbraw/zinc/03/48/99/443034899.db2.gz YKMSVOFTKCVVSB-HNNXBMFYSA-N 0 0 349.398 1.549 10 0 EDAERN Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)[C@H]2CCO[C@H]2C)c(C)[nH]1 ZINC000252549637 443042614 /nfs/dbraw/zinc/04/26/14/443042614.db2.gz RLNZVEZXSHARIZ-SZMVWBNQSA-N 0 0 349.475 1.716 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N(C)Cc1cnn(C)c1 ZINC000249743960 443002857 /nfs/dbraw/zinc/00/28/57/443002857.db2.gz YXOIAOJHNHDRFK-JYJNAYRXSA-N 0 0 348.447 1.185 10 0 EDAERN CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000184911833 443096998 /nfs/dbraw/zinc/09/69/98/443096998.db2.gz VYTMVQFFVHVXEM-NSHDSACASA-N 0 0 346.424 1.841 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000184669105 443056678 /nfs/dbraw/zinc/05/66/78/443056678.db2.gz MZYNBKGNPDNGPU-ZDUSSCGKSA-N 0 0 328.376 1.224 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2ccccc2-n2cccn2)C1 ZINC000190250984 443076903 /nfs/dbraw/zinc/07/69/03/443076903.db2.gz QGDSYRJSNMYBHO-GFCCVEGCSA-N 0 0 327.388 1.463 10 0 EDAERN O[C@H](CNc1cncc(OCC2CCCC2)n1)CN1CCOCC1 ZINC000185115045 443141083 /nfs/dbraw/zinc/14/10/83/443141083.db2.gz TYIOTLOQLSKPHB-OAHLLOKOSA-N 0 0 336.436 1.151 10 0 EDAERN CCCCn1cc(C(=O)N[C@H]2CCCn3nc(COC)nc32)c(C)n1 ZINC000184972660 443109137 /nfs/dbraw/zinc/10/91/37/443109137.db2.gz DKAJDWMDAXYEHM-AWEZNQCLSA-N 0 0 346.435 1.994 10 0 EDAERN CC(=O)NC1CN(C(=O)COc2cccc(Br)c2)C1 ZINC000190513024 443123603 /nfs/dbraw/zinc/12/36/03/443123603.db2.gz NXAZJRHKKRIAQS-UHFFFAOYSA-N 0 0 327.178 1.175 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](COC)c2ccccc2)CC1 ZINC000185048684 443125423 /nfs/dbraw/zinc/12/54/23/443125423.db2.gz RMRMMWANCFMNSG-SJORKVTESA-N 0 0 335.448 1.472 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2ccc(C(C)C)c(C)c2)C1 ZINC000185246130 443169347 /nfs/dbraw/zinc/16/93/47/443169347.db2.gz JFXJCMYMBOJCDN-UHFFFAOYSA-N 0 0 334.416 1.471 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(F)cc2Br)C1 ZINC000185246486 443169799 /nfs/dbraw/zinc/16/97/99/443169799.db2.gz YCHVYZMITIEFBX-UHFFFAOYSA-N 0 0 345.168 1.175 10 0 EDAERN CCn1cc(C2CCN(Cc3nnnn3CC(F)(F)F)CC2)cn1 ZINC000190851595 443196500 /nfs/dbraw/zinc/19/65/00/443196500.db2.gz HZHURJFRLWDWTL-UHFFFAOYSA-N 0 0 343.357 1.831 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000190741373 443174552 /nfs/dbraw/zinc/17/45/52/443174552.db2.gz BSTFTLHIIXOOOR-GOSISDBHSA-N 0 0 332.400 1.587 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCc3ccnc(OC)c3)CCO2)cn1 ZINC000190793636 443185394 /nfs/dbraw/zinc/18/53/94/443185394.db2.gz IHBGSGRZLGDSHU-OAHLLOKOSA-N 0 0 345.403 1.590 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCCCCc2ccccc2)C1 ZINC000185352338 443188807 /nfs/dbraw/zinc/18/88/07/443188807.db2.gz DIHROQPEPJRYLZ-UHFFFAOYSA-N 0 0 333.432 1.556 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000190678156 443161816 /nfs/dbraw/zinc/16/18/16/443161816.db2.gz VLYJVNMHSRZGAW-QMMMGPOBSA-N 0 0 327.743 1.155 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000190679820 443162816 /nfs/dbraw/zinc/16/28/16/443162816.db2.gz IFGVNPOMDIIPEH-QMMMGPOBSA-N 0 0 327.743 1.155 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c2cccnc12 ZINC000190987970 443219992 /nfs/dbraw/zinc/21/99/92/443219992.db2.gz PTNAEOOXTFTFQP-GFCCVEGCSA-N 0 0 333.413 1.442 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N(C)CC2(O)CCCC2)C12CCOCC2 ZINC000185678015 443237642 /nfs/dbraw/zinc/23/76/42/443237642.db2.gz ZKMCVNJTKMKWCJ-CABCVRRESA-N 0 0 340.464 1.907 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C)CC2)C12CCOCC2 ZINC000185807034 443260822 /nfs/dbraw/zinc/26/08/22/443260822.db2.gz MOHRHBFWWKGTJX-HUUCEWRRSA-N 0 0 325.453 1.354 10 0 EDAERN Cc1cc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)n[nH]1 ZINC000246138070 443271940 /nfs/dbraw/zinc/27/19/40/443271940.db2.gz DXLNNCDIOWKMIC-DZGCQCFKSA-N 0 0 348.472 1.900 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](CCO)CC(C)C)C[C@H]1C ZINC000246174845 443275258 /nfs/dbraw/zinc/27/52/58/443275258.db2.gz GJHHMNKRPROKSP-HZPDHXFCSA-N 0 0 329.485 1.393 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](O)C[C@H]1CO ZINC000185920439 443283231 /nfs/dbraw/zinc/28/32/31/443283231.db2.gz YFYOLGODTZDPNA-MIMYLULJSA-N 0 0 334.199 1.715 10 0 EDAERN CCOC(=O)N1CC[C@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000185927131 443285023 /nfs/dbraw/zinc/28/50/23/443285023.db2.gz QFABODFSRNMUTG-AWEZNQCLSA-N 0 0 349.435 1.540 10 0 EDAERN Cc1ccc(C)c(OC[C@@H](O)CN2CC(NC(=O)C3CCC3)C2)c1C ZINC000185938212 443288191 /nfs/dbraw/zinc/28/81/91/443288191.db2.gz OEYGDKUYMKMSRB-SFHVURJKSA-N 0 0 346.471 1.952 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cccc(CSc3nccn3C)c2)C1 ZINC000191504285 443304499 /nfs/dbraw/zinc/30/44/99/443304499.db2.gz UZYJPYIJDBIUDW-UHFFFAOYSA-N 0 0 344.440 1.673 10 0 EDAERN CSc1ncc(C(=O)N2CC(NC(C)=O)C2)n1-c1ccc(F)cc1 ZINC000191502822 443304534 /nfs/dbraw/zinc/30/45/34/443304534.db2.gz JFQKJVFXVKOADU-UHFFFAOYSA-N 0 0 348.403 1.694 10 0 EDAERN CC(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)o1)=C1CCCC1 ZINC000328654702 444416355 /nfs/dbraw/zinc/41/63/55/444416355.db2.gz XRNYSHXSYSANMJ-LBPRGKRZSA-N 0 0 327.406 1.750 10 0 EDAERN Cc1ccc(C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)nn1 ZINC000584218346 326221334 /nfs/dbraw/zinc/22/13/34/326221334.db2.gz NCJLQUGZHQRIAF-ROUUACIJSA-N 0 0 340.427 1.929 10 0 EDAERN O=S(=O)(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ncc[n-]1 ZINC000383912886 447465213 /nfs/dbraw/zinc/46/52/13/447465213.db2.gz PNBRQYVMUVTRFO-HRCADAONSA-N 0 0 346.456 1.599 10 0 EDAERN CCOC(=O)Cc1ccc(OC)c(N)c1I ZINC000575724612 447882798 /nfs/dbraw/zinc/88/27/98/447882798.db2.gz LWRHCZPRIVOPOM-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000583616390 448442562 /nfs/dbraw/zinc/44/25/62/448442562.db2.gz MUWZFSGNVWCPMV-VHSXEESVSA-N 0 0 337.800 1.904 10 0 EDAERN CC(=O)N1C[C@@H](NS(=O)(=O)CC2CC2)CC[C@H]1C(F)(F)F ZINC000583616405 448443220 /nfs/dbraw/zinc/44/32/20/448443220.db2.gz NWOWZRRLDGJVHJ-QWRGUYRKSA-N 0 0 328.356 1.258 10 0 EDAERN Cn1cc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)cn1 ZINC000583616744 448443741 /nfs/dbraw/zinc/44/37/41/448443741.db2.gz MGPWJRBRZKJHAN-KFWWJZLASA-N 0 0 327.450 1.514 10 0 EDAERN CC(=O)N1C[C@H](NC(=O)c2ccn(C)c(=O)c2)CC[C@H]1C(F)(F)F ZINC000583620014 448450937 /nfs/dbraw/zinc/45/09/37/448450937.db2.gz JHTOQKBEGIZSNF-NEPJUHHUSA-N 0 0 345.321 1.057 10 0 EDAERN CCOC(=O)[C@@H](N)[C@H](O)c1cccnc1NC(=O)OC(C)(C)C ZINC000536961273 448548343 /nfs/dbraw/zinc/54/83/43/448548343.db2.gz WTFYPPXJZLCWOC-WDEREUQCSA-N 0 0 325.365 1.352 10 0 EDAERN CCOC(=O)[C@H](N)[C@H](O)c1cccnc1NC(=O)OC(C)(C)C ZINC000536961270 448548513 /nfs/dbraw/zinc/54/85/13/448548513.db2.gz WTFYPPXJZLCWOC-GHMZBOCLSA-N 0 0 325.365 1.352 10 0 EDAERN Cc1ccc(S(=O)(=O)NOCC(C)(C)O)cc1Br ZINC000584597064 448584108 /nfs/dbraw/zinc/58/41/08/448584108.db2.gz WLJGMWBEABHOEX-UHFFFAOYSA-N 0 0 338.223 1.738 10 0 EDAERN CCOC(=O)[C@H](O)/C(=C\c1ccccc1Br)[N+](=O)[O-] ZINC000584604576 448584215 /nfs/dbraw/zinc/58/42/15/448584215.db2.gz VRCVKVGTICSFGC-PFEDMVJOSA-N 0 0 330.134 1.991 10 0 EDAERN COc1ccncc1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC000615233576 450013947 /nfs/dbraw/zinc/01/39/47/450013947.db2.gz JWWLEPIAYFOTKY-UKRRQHHQSA-N 0 0 330.388 1.608 10 0 EDAERN NC(=O)c1ccccc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616603339 450455259 /nfs/dbraw/zinc/45/52/59/450455259.db2.gz LYUVFXSJESUQLW-MRXNPFEDSA-N 0 0 346.408 1.548 10 0 EDAERN CCc1nnc(C)cc1C(=O)NC[C@@H]1CCO[C@H]1c1nccn1C ZINC000619317982 450458363 /nfs/dbraw/zinc/45/83/63/450458363.db2.gz KSFDMKAKFOWDPJ-SWLSCSKDSA-N 0 0 329.404 1.589 10 0 EDAERN Nc1cccc([C@H]2CCN(S(=O)(=O)c3ccccc3)CCO2)n1 ZINC000616665087 450459018 /nfs/dbraw/zinc/45/90/18/450459018.db2.gz LDJIHMNHFWZYGW-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN CS(=O)(=O)N1CCc2ccccc2[C@@H]1c1cccc(C(N)=O)c1 ZINC000616691731 450461328 /nfs/dbraw/zinc/46/13/28/450461328.db2.gz LXMTUONDBYADDI-INIZCTEOSA-N 0 0 330.409 1.693 10 0 EDAERN Cc1noc([C@H]2CN(Cc3cc(-c4cnn(C)c4)no3)C[C@@H](C)O2)n1 ZINC000625911934 450534640 /nfs/dbraw/zinc/53/46/40/450534640.db2.gz FRDGXNMWNWRJOF-MEBBXXQBSA-N 0 0 344.375 1.729 10 0 EDAERN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000635087462 450636785 /nfs/dbraw/zinc/63/67/85/450636785.db2.gz HSMBMLOMVOWBKF-USXIJHARSA-N 0 0 338.411 1.610 10 0 EDAERN CCn1cc(O[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@H]2O)cn1 ZINC000628250652 451196256 /nfs/dbraw/zinc/19/62/56/451196256.db2.gz ZCUVOSABNIHCLO-HUUCEWRRSA-N 0 0 330.388 1.373 10 0 EDAERN Nc1nc([C@@H]2CCN(C(=O)Cc3c(F)cccc3F)C2)cc(=O)[nH]1 ZINC000630723631 451363272 /nfs/dbraw/zinc/36/32/72/451363272.db2.gz PMYGCDFPJRKQGK-SECBINFHSA-N 0 0 334.326 1.601 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)Cc3cn4ccccc4n3)C[C@@H](C)O2)n1 ZINC000628856022 451440898 /nfs/dbraw/zinc/44/08/98/451440898.db2.gz CBKKKVNPMQHAMS-BXUZGUMPSA-N 0 0 341.371 1.557 10 0 EDAERN CC(=O)N[C@@]1(c2nc(C)no2)CCN(Cc2cn3ccccc3n2)C1 ZINC000643723304 452530290 /nfs/dbraw/zinc/53/02/90/452530290.db2.gz HWQIIHJLLBOBAR-KRWDZBQOSA-N 0 0 340.387 1.263 10 0 EDAERN CNC(=O)[C@@]1(COC)CCCN1Cc1cnn(-c2ccccc2)c1 ZINC000643764831 452605772 /nfs/dbraw/zinc/60/57/72/452605772.db2.gz GDCVVMIZTSJNBC-SFHVURJKSA-N 0 0 328.416 1.599 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc(Br)c(C)n1 ZINC000664271743 452952780 /nfs/dbraw/zinc/95/27/80/452952780.db2.gz WQHXBLCLKSMTDK-NXEZZACHSA-N 0 0 335.223 1.376 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNc1ncnc2c1cnn2C ZINC000656474255 453208369 /nfs/dbraw/zinc/20/83/69/453208369.db2.gz ZXEROINWDISDOL-WCQYABFASA-N 0 0 327.392 1.769 10 0 EDAERN Cc1nnc2n1C[C@@H](C(=O)Nc1c[nH]nc1-c1ccccc1)N(C)C2 ZINC000644393549 453397447 /nfs/dbraw/zinc/39/74/47/453397447.db2.gz BGJVHOOGJYWTCK-AWEZNQCLSA-N 0 0 337.387 1.429 10 0 EDAERN COc1cccc(C2=CCN(C(=O)CN3CCCC[C@H](O)C3=O)C2)c1 ZINC000644421092 453435985 /nfs/dbraw/zinc/43/59/85/453435985.db2.gz RKSOLSMQDWMRNK-KRWDZBQOSA-N 0 0 344.411 1.294 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)NCCc2ccco2)[C@H]1c1nccn1C ZINC000665394996 453680422 /nfs/dbraw/zinc/68/04/22/453680422.db2.gz YZEUKRVYSCCTBP-HOCLYGCPSA-N 0 0 344.415 1.672 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccoc1 ZINC000657145301 453704393 /nfs/dbraw/zinc/70/43/93/453704393.db2.gz HDNSSWSNVBTRIG-WCQYABFASA-N 0 0 325.390 1.552 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1 ZINC000074775095 486798654 /nfs/dbraw/zinc/79/86/54/486798654.db2.gz SXWONJCSUUOSLX-HNNXBMFYSA-N 0 0 342.461 1.425 10 0 EDAERN Cc1cnn([C@H]2CCCN(CC(=O)NC(=O)NCC(F)(F)F)C2)c1 ZINC000105900669 491006070 /nfs/dbraw/zinc/00/60/70/491006070.db2.gz JKYNICGZDYNVFP-NSHDSACASA-N 0 0 347.341 1.217 10 0 EDAERN Cc1c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cnn1C(C)(C)C ZINC000173841413 533771454 /nfs/dbraw/zinc/77/14/54/533771454.db2.gz XCZQURXQNNPWCG-CJNGLKHVSA-N 0 0 334.464 1.739 10 0 EDAERN COc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000130661534 533820340 /nfs/dbraw/zinc/82/03/40/533820340.db2.gz FRPCTBFJBLWJDD-ZWNOBZJWSA-N 0 0 340.807 1.954 10 0 EDAERN Cc1c(S(N)(=O)=O)cnn1-c1ccc(Br)cc1C ZINC000167064219 533938743 /nfs/dbraw/zinc/93/87/43/533938743.db2.gz ZJZCBTKLVMYJEK-UHFFFAOYSA-N 0 0 330.207 1.899 10 0 EDAERN COC(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1C ZINC000131853348 534217986 /nfs/dbraw/zinc/21/79/86/534217986.db2.gz NNDXCNOFBMIQIN-LBPRGKRZSA-N 0 0 329.360 1.510 10 0 EDAERN Cc1nc(S(N)(=O)=O)cn1Cc1ccc(F)c(Br)c1 ZINC000159388676 534522180 /nfs/dbraw/zinc/52/21/80/534522180.db2.gz XTAUZJKDXUMWLA-UHFFFAOYSA-N 0 0 348.197 1.789 10 0 EDAERN CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000076709151 534664574 /nfs/dbraw/zinc/66/45/74/534664574.db2.gz VNLMGDRLVATRIL-YJBOKZPZSA-N 0 0 331.460 1.643 10 0 EDAERN O=C(c1cccc(-n2cccn2)n1)N1CCO[C@H](c2nccs2)C1 ZINC000135479059 534733546 /nfs/dbraw/zinc/73/35/46/534733546.db2.gz UGTIRVWYUKWYOB-ZDUSSCGKSA-N 0 0 341.396 1.938 10 0 EDAERN O=C1C[C@@H]2CS(=O)(=O)CCN2c2ccc(Br)cc2N1 ZINC000157848634 534777580 /nfs/dbraw/zinc/77/75/80/534777580.db2.gz DCKWFENFNIVMQD-SECBINFHSA-N 0 0 345.218 1.395 10 0 EDAERN O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000174000467 534872936 /nfs/dbraw/zinc/87/29/36/534872936.db2.gz YPZMJZFLSNHOFA-LLVKDONJSA-N 0 0 348.827 1.574 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000173966734 526998694 /nfs/dbraw/zinc/99/86/94/526998694.db2.gz AMOCJBRXKXYEJY-SJCJKPOMSA-N 0 0 349.406 1.577 10 0 EDAERN Cn1cc(Br)c(CNS(=O)(=O)NC2CCCC2)n1 ZINC000333085252 527146320 /nfs/dbraw/zinc/14/63/20/527146320.db2.gz MXIXLNOVXKUYCD-UHFFFAOYSA-N 0 0 337.243 1.049 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1COc2ccccc2C1=O)C(C)C ZINC000181605899 527668304 /nfs/dbraw/zinc/66/83/04/527668304.db2.gz LVQFRTHFQJHSGO-YOEHRIQHSA-N 0 0 346.427 1.933 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000155239601 527712082 /nfs/dbraw/zinc/71/20/82/527712082.db2.gz RWDAFKIEOAFZRD-KBXCAEBGSA-N 0 0 348.447 1.775 10 0 EDAERN CCN(C)C(=O)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000184367403 527716962 /nfs/dbraw/zinc/71/69/62/527716962.db2.gz MUFVCIIKOBINRJ-CYBMUJFWSA-N 0 0 329.404 1.711 10 0 EDAERN CC(C)[C@H](O)CC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000158646664 527718614 /nfs/dbraw/zinc/71/86/14/527718614.db2.gz NYSWYYZRWSYZSH-OAHLLOKOSA-N 0 0 330.388 1.334 10 0 EDAERN CCC[C@@H]1C(=O)NCC(=O)N1Cc1ccc(Br)cn1 ZINC000168901041 527728322 /nfs/dbraw/zinc/72/83/22/527728322.db2.gz VGTQNJFRWXJWQC-LLVKDONJSA-N 0 0 326.194 1.471 10 0 EDAERN CCN1CCO[C@H](CNc2nc(Br)cn3ccnc23)C1 ZINC000166212182 527738389 /nfs/dbraw/zinc/73/83/89/527738389.db2.gz RGNNPUBVQRMWEE-SNVBAGLBSA-N 0 0 340.225 1.624 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)CN2CSCC2=O)C12CCCC2 ZINC000150814719 527896745 /nfs/dbraw/zinc/89/67/45/527896745.db2.gz UYASUMYCVWCAFY-QWHCGFSZSA-N 0 0 326.462 1.716 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)s1 ZINC000190566342 528220012 /nfs/dbraw/zinc/22/00/12/528220012.db2.gz QGOAPNKOKCZJIU-NSHDSACASA-N 0 0 348.432 1.660 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)COc1ccc(C=O)cc1)CC2 ZINC000170761109 528477592 /nfs/dbraw/zinc/47/75/92/528477592.db2.gz SQMMYLSMSDKFGA-CQSZACIVSA-N 0 0 342.399 1.724 10 0 EDAERN CC(C)[C@@H]1C(=O)N[C@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168877310 528646970 /nfs/dbraw/zinc/64/69/70/528646970.db2.gz CCOYWQUQEFZVTC-BXKDBHETSA-N 0 0 340.221 1.716 10 0 EDAERN CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172602520 528790891 /nfs/dbraw/zinc/79/08/91/528790891.db2.gz HNDPKSSXOCPBPP-CQSZACIVSA-N 0 0 329.404 1.833 10 0 EDAERN CCOC[C@H](C)NC(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1 ZINC000138537395 528972733 /nfs/dbraw/zinc/97/27/33/528972733.db2.gz IHTJCTNGMRMHDE-VIFPVBQESA-N 0 0 334.825 1.451 10 0 EDAERN CCCCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000166895296 529022273 /nfs/dbraw/zinc/02/22/73/529022273.db2.gz BNYBTZMUTUUFKJ-OAHLLOKOSA-N 0 0 331.416 1.705 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(C)(C)C(=O)NC ZINC000154401266 529218320 /nfs/dbraw/zinc/21/83/20/529218320.db2.gz WPHDHDXPGDXATN-DZGCQCFKSA-N 0 0 347.459 1.720 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Cc2cnc3ccccc3c2)CC1 ZINC000131461521 529226493 /nfs/dbraw/zinc/22/64/93/529226493.db2.gz UTMHNMFMIQZUDM-QGZVFWFLSA-N 0 0 327.428 1.692 10 0 EDAERN CC[C@H](C)[C@@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168906019 529229223 /nfs/dbraw/zinc/22/92/23/529229223.db2.gz CXBHAYVHYDOLJC-ZANVPECISA-N 0 0 340.221 1.717 10 0 EDAERN CC(C)(C)OC(=O)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189362900 534952187 /nfs/dbraw/zinc/95/21/87/534952187.db2.gz DBGVNGLNEISKMO-UHFFFAOYSA-N 0 0 344.411 1.993 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc3c1OCCO3)CC2 ZINC000195282667 535029900 /nfs/dbraw/zinc/02/99/00/535029900.db2.gz QWWOOGXKWLYYCC-GFCCVEGCSA-N 0 0 342.399 1.918 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246926012 535138222 /nfs/dbraw/zinc/13/82/22/535138222.db2.gz ZBDILACWTXUPPZ-CABCVRRESA-N 0 0 347.459 1.354 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)CC2 ZINC000114976904 536164435 /nfs/dbraw/zinc/16/44/35/536164435.db2.gz QTMRWOCIXRIFIS-ZIAGYGMSSA-N 0 0 347.394 1.327 10 0 EDAERN CN1C(=O)C[C@H](NC(=O)N2CC[C@@H](F)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000333055126 536318639 /nfs/dbraw/zinc/31/86/39/536318639.db2.gz CTRXHHWTVSZLMG-RIEGTJTDSA-N 0 0 341.333 1.990 10 0 EDAERN CN[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1cnn(C)c1 ZINC000261984711 536336405 /nfs/dbraw/zinc/33/64/05/536336405.db2.gz JKWICHFVBIHNTM-BDJLRTHQSA-N 0 0 330.388 1.329 10 0 EDAERN CN(CC[NH+]1CCN(c2ccccc2)CC1)c1cnc(C(=O)[O-])cn1 ZINC000263517432 536371970 /nfs/dbraw/zinc/37/19/70/536371970.db2.gz PGUCGYZPFSOGFR-UHFFFAOYSA-N 0 0 341.415 1.433 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)C(C)C ZINC000181571845 536380647 /nfs/dbraw/zinc/38/06/47/536380647.db2.gz VTWNBGRTOARCCJ-XJKSGUPXSA-N 0 0 346.431 1.141 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246276643 536434324 /nfs/dbraw/zinc/43/43/24/536434324.db2.gz BDMJTYHRPYZXSO-UONOGXRCSA-N 0 0 347.242 1.864 10 0 EDAERN CNS(=O)(=O)N1CCN(c2ccc(Br)c(C)c2)CC1 ZINC000062220957 536475774 /nfs/dbraw/zinc/47/57/74/536475774.db2.gz NHWQQAKFJZTVDQ-UHFFFAOYSA-N 0 0 348.266 1.344 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000195256076 536628199 /nfs/dbraw/zinc/62/81/99/536628199.db2.gz CKYDZCUVDGOVEZ-AWEZNQCLSA-N 0 0 342.399 1.933 10 0 EDAERN COc1ccc(CNC(=O)N(CCO)C2CC2)cc1OC(F)F ZINC000125264002 536877440 /nfs/dbraw/zinc/87/74/40/536877440.db2.gz GVNSSUDQVWKJQA-UHFFFAOYSA-N 0 0 330.331 1.963 10 0 EDAERN COc1cccc(N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000034684857 537125260 /nfs/dbraw/zinc/12/52/60/537125260.db2.gz QISHNLHFPPRQAT-HNNXBMFYSA-N 0 0 333.432 1.065 10 0 EDAERN CC1(C)CCN(S(=O)(=O)C[C@@H](N)C(F)(F)C(F)(F)F)CC1 ZINC000757149642 579965120 /nfs/dbraw/zinc/96/51/20/579965120.db2.gz GAHPBHOJXMGKJF-MRVPVSSYSA-N 0 0 338.342 1.963 10 0 EDAERN O[C@]1(c2cn[nH]n2)CCCN(CCOc2ccc(F)cc2Cl)C1 ZINC000794041363 580867147 /nfs/dbraw/zinc/86/71/47/580867147.db2.gz FHCUWFBIFMGNPW-OAHLLOKOSA-N 0 0 340.786 1.960 10 0 EDAERN Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888077199 590931797 /nfs/dbraw/zinc/93/17/97/590931797.db2.gz RWXYDIOOAVVWHG-JJRVBVJISA-N 0 0 338.367 1.951 10 0 EDAERN CO[C@@H]1CCN(Cc2nc(C(=O)N(C)Cc3cc(C)on3)co2)C1 ZINC000888095320 591026416 /nfs/dbraw/zinc/02/64/16/591026416.db2.gz XXDYHPXBCGCPCO-CYBMUJFWSA-N 0 0 334.376 1.464 10 0 EDAERN Cc1cccc(C)c1CC(=O)NC[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O ZINC000888095750 591026519 /nfs/dbraw/zinc/02/65/19/591026519.db2.gz XKXZVRIYWBHSMZ-YCPHGPKFSA-N 0 0 328.416 1.635 10 0 EDAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(Cc3cc4ccc(C)cc4[nH]3)C2)C1 ZINC000888099014 591028842 /nfs/dbraw/zinc/02/88/42/591028842.db2.gz OKOWKMLUSHWFCF-CQSZACIVSA-N 0 0 340.427 1.255 10 0 EDAERN CCOC(=O)c1cnc(CC)nc1N1CC[C@H](c2nc(C)no2)C1 ZINC000893785540 591097776 /nfs/dbraw/zinc/09/77/76/591097776.db2.gz STNFCHPNZYTQRM-NSHDSACASA-N 0 0 331.376 1.901 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1cccnc1Cl ZINC000103812904 593628968 /nfs/dbraw/zinc/62/89/68/593628968.db2.gz PRSRMEIZQAHOMO-GFCCVEGCSA-N 0 0 346.836 1.982 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccnc2-n2cccn2)CC[N@@H+]1CCOC ZINC000117299584 595616137 /nfs/dbraw/zinc/61/61/37/595616137.db2.gz DCJHPLOIUGDWJI-HNNXBMFYSA-N 0 0 343.431 1.450 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)c1cccnc1 ZINC000113468360 595757178 /nfs/dbraw/zinc/75/71/78/595757178.db2.gz GESGREPJEGPJOT-GXTWGEPZSA-N 0 0 326.418 1.890 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NCc2nn(C)c3ccccc23)cn1 ZINC000862495157 596337103 /nfs/dbraw/zinc/33/71/03/596337103.db2.gz YLVVCBNXZLYTFK-DOTOQJQBSA-N 0 0 327.388 1.243 10 0 EDAERN CCc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)[nH]n1 ZINC000864842241 596383868 /nfs/dbraw/zinc/38/38/68/596383868.db2.gz UVANLLLDHPSRCA-SNVBAGLBSA-N 0 0 330.392 1.163 10 0 EDAERN C[C@@H]1CN(CN2c3cccc4cccc(c34)C2=O)C[C@@H](C(N)=O)O1 ZINC000120257344 596386059 /nfs/dbraw/zinc/38/60/59/596386059.db2.gz YNNCYEAWPCSZRG-ABAIWWIYSA-N 0 0 325.368 1.332 10 0 EDAERN CCc1nocc1CN1CC(N2C[C@H](c3nc(C)no3)CC2=O)C1 ZINC000864310094 596828976 /nfs/dbraw/zinc/82/89/76/596828976.db2.gz DSAZFXWICSIIAD-LLVKDONJSA-N 0 0 331.376 1.129 10 0 EDAERN CC(C)CCN(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000124179743 597008343 /nfs/dbraw/zinc/00/83/43/597008343.db2.gz AYJPUTGGQXDAIN-LBPRGKRZSA-N 0 0 337.445 1.618 10 0 EDAERN CC(C)C[C@H](C)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000126569776 597532692 /nfs/dbraw/zinc/53/26/92/597532692.db2.gz GZJWKGLKDXZMDF-NWDGAFQWSA-N 0 0 337.445 1.664 10 0 EDAERN CCOC(=O)c1cnn(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000133230158 597950426 /nfs/dbraw/zinc/95/04/26/597950426.db2.gz ZTLJLEFIYPWPRP-OAHLLOKOSA-N 0 0 346.435 1.638 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCc3ccnn3C)C2)n1 ZINC000185002724 698785823 /nfs/dbraw/zinc/78/58/23/698785823.db2.gz QBESUWODUWXMFC-OAHLLOKOSA-N 0 0 345.451 1.293 10 0 EDAERN CNC(=O)[C@@H](NC(=O)NCCc1c[nH]c2cccc(OC)c12)C(C)C ZINC000181571967 699786950 /nfs/dbraw/zinc/78/69/50/699786950.db2.gz KBRJSVKEBZRRPM-INIZCTEOSA-N 0 0 346.431 1.789 10 0 EDAERN COC(=O)[C@@H](NS(=O)(=O)c1cc(N)cs1)c1ccccc1 ZINC000050506803 214058514 /nfs/dbraw/zinc/05/85/14/214058514.db2.gz UGXAXQXAKGSCHK-LBPRGKRZSA-N 0 0 326.399 1.523 10 0 EDAERN CCNC(=O)[C@H](C)NC(=O)c1cc(Br)cnc1NC ZINC000050791026 214071275 /nfs/dbraw/zinc/07/12/75/214071275.db2.gz WQIVARJVPUQTDQ-ZETCQYMHSA-N 0 0 329.198 1.140 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(-c2cnco2)c1)[C@H]1CCCO1 ZINC000052682510 214139248 /nfs/dbraw/zinc/13/92/48/214139248.db2.gz XRTZVMCQILAUHM-SMDDNHRTSA-N 0 0 329.356 1.964 10 0 EDAERN Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)no1 ZINC000062613188 214725251 /nfs/dbraw/zinc/72/52/51/214725251.db2.gz RPKKSYZXMZKYKV-UHFFFAOYSA-N 0 0 347.440 1.983 10 0 EDAERN CC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000054455091 214238941 /nfs/dbraw/zinc/23/89/41/214238941.db2.gz ABCGODHDRJQCFL-AWEZNQCLSA-N 0 0 339.436 1.324 10 0 EDAERN COCCNCc1nnnn1-c1ccc(Br)cc1Cl ZINC000054745042 214254234 /nfs/dbraw/zinc/25/42/34/214254234.db2.gz IOBHPMHBNYJKJC-UHFFFAOYSA-N 0 0 346.616 1.814 10 0 EDAERN Cn1cc(CNc2cc3c(cc2Br)OCCO3)nn1 ZINC000054859430 214258500 /nfs/dbraw/zinc/25/85/00/214258500.db2.gz JTLRWLNUARWEGN-UHFFFAOYSA-N 0 0 325.166 1.961 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CC3(O)CCCC3)C2=O)n(C)n1 ZINC000173450339 230944098 /nfs/dbraw/zinc/94/40/98/230944098.db2.gz UXPHNXMORAAGQL-ZDUSSCGKSA-N 0 0 334.420 1.035 10 0 EDAERN Cc1c(Cl)c(NC(=O)c2cc[nH]n2)c(Cl)cc1S(N)(=O)=O ZINC000062777968 214732381 /nfs/dbraw/zinc/73/23/81/214732381.db2.gz ZXXPYCIIJRWEFF-UHFFFAOYSA-N 0 0 349.199 1.925 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3cnc4c(c3)c(C)nn4C)CCO2)[nH]1 ZINC000173679051 231003709 /nfs/dbraw/zinc/00/37/09/231003709.db2.gz SVGBXQDIPIDIIO-AWEZNQCLSA-N 0 0 327.392 1.277 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173697787 231008869 /nfs/dbraw/zinc/00/88/69/231008869.db2.gz QAXVRTKTVSYXPR-LBPRGKRZSA-N 0 0 331.351 1.528 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)CCO2)[nH]1 ZINC000173733765 231017654 /nfs/dbraw/zinc/01/76/54/231017654.db2.gz STQVRUHPLUFQQO-LBPRGKRZSA-N 0 0 344.343 1.154 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)CCc3ccccc3)CCO2)[nH]1 ZINC000173735174 231019028 /nfs/dbraw/zinc/01/90/28/231019028.db2.gz HNLUQDBDYXICAO-AWEZNQCLSA-N 0 0 336.417 1.059 10 0 EDAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cccs3)CC2)no1 ZINC000173824136 231044222 /nfs/dbraw/zinc/04/42/22/231044222.db2.gz JUELBRFNOVAEGW-UHFFFAOYSA-N 0 0 342.446 1.336 10 0 EDAERN O=C(NCc1cc(F)ccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000173827005 231045640 /nfs/dbraw/zinc/04/56/40/231045640.db2.gz ZUVAZUYCSMIJQV-CQSZACIVSA-N 0 0 325.359 1.581 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NC1(c2ccccc2)CCC1 ZINC000173952026 231078828 /nfs/dbraw/zinc/07/88/28/231078828.db2.gz ROILULIQRXHGFK-SFHVURJKSA-N 0 0 343.471 1.589 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c(C)c1 ZINC000174007398 231096317 /nfs/dbraw/zinc/09/63/17/231096317.db2.gz PKVCPUNSWVPYME-HNNXBMFYSA-N 0 0 331.416 1.175 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C)n3C)C2=O)n(C)n1 ZINC000174990088 231361249 /nfs/dbraw/zinc/36/12/49/231361249.db2.gz FYVWCUBDFVCVTB-CYBMUJFWSA-N 0 0 329.404 1.301 10 0 EDAERN Clc1ncc(CN2CCN(c3ccc4nncn4n3)CC2)s1 ZINC000175430713 231445194 /nfs/dbraw/zinc/44/51/94/231445194.db2.gz CHCZAKKSWXZXLC-UHFFFAOYSA-N 0 0 335.824 1.556 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000186981512 529606046 /nfs/dbraw/zinc/60/60/46/529606046.db2.gz XYRRLVBCHDBZKX-INIZCTEOSA-N 0 0 349.456 1.844 10 0 EDAERN O=C(NCc1nn2c(nnc2C(F)(F)F)s1)c1ccncc1 ZINC000049735503 214030729 /nfs/dbraw/zinc/03/07/29/214030729.db2.gz TXMXZPYGLWQRNB-UHFFFAOYSA-N 0 0 328.279 1.530 10 0 EDAERN COc1ccc(NC(=O)CCc2nn3cnnc3s2)c(OC)c1 ZINC000049662704 214024943 /nfs/dbraw/zinc/02/49/43/214024943.db2.gz AKSSXKIRCQFYKZ-UHFFFAOYSA-N 0 0 333.373 1.774 10 0 EDAERN CCN(CCO)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000098075313 219079214 /nfs/dbraw/zinc/07/92/14/219079214.db2.gz KRIQBLJMFRVQQB-AWEZNQCLSA-N 0 0 326.824 1.935 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000181168576 529698507 /nfs/dbraw/zinc/69/85/07/529698507.db2.gz QVXUQQBGYHXEIB-HNNXBMFYSA-N 0 0 344.419 1.188 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCc3ccccc3)CCO2)[nH]1 ZINC000178012623 529699409 /nfs/dbraw/zinc/69/94/09/529699409.db2.gz NBTPNSMSSOPAMR-AWEZNQCLSA-N 0 0 329.404 1.693 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cc(C(C)C)n(C)n3)CCO2)[nH]1 ZINC000174341765 529702042 /nfs/dbraw/zinc/70/20/42/529702042.db2.gz LOGDOTYSGKANTH-CYBMUJFWSA-N 0 0 332.408 1.438 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2cnccn2)N2CCOCC2)s1 ZINC000176561694 231680176 /nfs/dbraw/zinc/68/01/76/231680176.db2.gz RYNMFGGYDVLJAK-AWEZNQCLSA-N 0 0 332.429 1.650 10 0 EDAERN Cc1cccc(NC(=O)C[S@](=O)Cc2nnnn2C(C)C)c1C ZINC000176570490 231683747 /nfs/dbraw/zinc/68/37/47/231683747.db2.gz AEZUXBGEJUXZIU-HSZRJFAPSA-N 0 0 335.433 1.758 10 0 EDAERN CCn1c(SCC(=O)Nc2cc(Cl)ccc2N)n[nH]c1=O ZINC000061594132 214667026 /nfs/dbraw/zinc/66/70/26/214667026.db2.gz ZJGRBXGFRPPEDV-UHFFFAOYSA-N 0 0 327.797 1.558 10 0 EDAERN CCc1ccc([C@H](C)NS(=O)(=O)N(C)CCC(=O)OC)cc1 ZINC000172983002 529721719 /nfs/dbraw/zinc/72/17/19/529721719.db2.gz IJZDPWQHNUFODH-LBPRGKRZSA-N 0 0 328.434 1.639 10 0 EDAERN COCCCN(C)S(=O)(=O)c1ccc(Br)cc1N ZINC000062031400 214694686 /nfs/dbraw/zinc/69/46/86/214694686.db2.gz RWMORMCSUYXDFL-UHFFFAOYSA-N 0 0 337.239 1.688 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)c2ccn(CCOC)n2)C1 ZINC000189722573 529761426 /nfs/dbraw/zinc/76/14/26/529761426.db2.gz RPKAHOHAGVVQTG-AWEZNQCLSA-N 0 0 331.420 1.766 10 0 EDAERN CCCNS(=O)(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000062216886 214705257 /nfs/dbraw/zinc/70/52/57/214705257.db2.gz AAXNRKMKIJOHGG-UHFFFAOYSA-N 0 0 349.497 1.810 10 0 EDAERN CNC(=O)[C@@H]1CCCN1c1cccc(Br)c1C(N)=S ZINC000168706654 529904109 /nfs/dbraw/zinc/90/41/09/529904109.db2.gz KYHFQUKOFPWGLD-JTQLQIEISA-N 0 0 342.262 1.798 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CCO1 ZINC000181545083 529908568 /nfs/dbraw/zinc/90/85/68/529908568.db2.gz ZANWSBYBIIXZBI-RNCFNFMXSA-N 0 0 327.331 1.182 10 0 EDAERN COc1ccc(I)c(N2CCOCC2=O)c1 ZINC000725244701 539383035 /nfs/dbraw/zinc/38/30/35/539383035.db2.gz SGBREBLMDUPFPK-UHFFFAOYSA-N 0 0 333.125 1.663 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cn(C)cn1 ZINC000179024407 529962127 /nfs/dbraw/zinc/96/21/27/529962127.db2.gz JCQPARJQFICSNV-CQSZACIVSA-N 0 0 334.445 1.627 10 0 EDAERN CCc1nnc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)n1C ZINC000177703547 231962703 /nfs/dbraw/zinc/96/27/03/231962703.db2.gz UUVMKUVJAHXWPR-OLZOCXBDSA-N 0 0 336.461 1.764 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccccc2F)C1 ZINC000101564593 219138283 /nfs/dbraw/zinc/13/82/83/219138283.db2.gz IIEFQGSRGYHBPJ-OAHLLOKOSA-N 0 0 335.423 1.823 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000177978615 232048689 /nfs/dbraw/zinc/04/86/89/232048689.db2.gz BALVNFCGFHKCST-OAHLLOKOSA-N 0 0 330.363 1.960 10 0 EDAERN CC(=O)NC1(C(=O)N2CCC(Cn3cccn3)CC2)CCCCC1 ZINC000126438745 222700536 /nfs/dbraw/zinc/70/05/36/222700536.db2.gz ZIEHIZXUMVPAKP-UHFFFAOYSA-N 0 0 332.448 1.961 10 0 EDAERN CCC(CC)CS(=O)(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000129393562 535031880 /nfs/dbraw/zinc/03/18/80/535031880.db2.gz MOUCOMFAYKAGKH-GFCCVEGCSA-N 0 0 330.454 1.615 10 0 EDAERN Nc1cc(-c2nnnn2C[C@H]2COCCO2)ccc1Br ZINC000042029498 213475742 /nfs/dbraw/zinc/47/57/42/213475742.db2.gz IBIFAVIOEQVNOD-VIFPVBQESA-N 0 0 340.181 1.100 10 0 EDAERN COC[C@H](C)C(=O)NCCCc1nnc(SC)n1CC(C)C ZINC000103428087 219298725 /nfs/dbraw/zinc/29/87/25/219298725.db2.gz ADHRMNOKZPPWOC-LBPRGKRZSA-N 0 0 328.482 1.987 10 0 EDAERN Cc1oc(-c2cccnc2)nc1CC(=O)N1CCC2(CC1)OCCO2 ZINC000041449761 213446563 /nfs/dbraw/zinc/44/65/63/213446563.db2.gz JXTIEWHXMLLLMF-UHFFFAOYSA-N 0 0 343.383 1.953 10 0 EDAERN C[C@@H]1CS(=O)(=O)CCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000179613113 233226841 /nfs/dbraw/zinc/22/68/41/233226841.db2.gz GHSWRHZULYRGPK-RISCZKNCSA-N 0 0 342.848 1.952 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(C)c1 ZINC000068229710 215293727 /nfs/dbraw/zinc/29/37/27/215293727.db2.gz UXDBQKLDFNTNIW-UHFFFAOYSA-N 0 0 347.440 1.778 10 0 EDAERN COCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1 ZINC000041210247 213431810 /nfs/dbraw/zinc/43/18/10/213431810.db2.gz PKRYDXYFZQSXAB-AWEZNQCLSA-N 0 0 340.445 1.622 10 0 EDAERN CC(C)NC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C)c1 ZINC000041228571 213432343 /nfs/dbraw/zinc/43/23/43/213432343.db2.gz ARZOAQXFGIMQRC-LBPRGKRZSA-N 0 0 326.418 1.234 10 0 EDAERN CC(=O)Nc1ccc(CCNC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000103619403 219316537 /nfs/dbraw/zinc/31/65/37/219316537.db2.gz SMPLDXDRAMJIMV-QGZVFWFLSA-N 0 0 346.431 1.498 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(C2N=NC(=S)O2)cc1 ZINC000127039887 222784567 /nfs/dbraw/zinc/78/45/67/222784567.db2.gz FBRKTZZMQZDPJJ-LLVKDONJSA-N 0 0 342.384 1.362 10 0 EDAERN COc1ccc(C)nc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000127110672 222794647 /nfs/dbraw/zinc/79/46/47/222794647.db2.gz WURQFGLTRMTWDT-ZDUSSCGKSA-N 0 0 331.376 1.528 10 0 EDAERN Nc1ccc(Cl)cc1-c1nnnn1[C@@H]1CCCS(=O)(=O)C1 ZINC000069146044 215364573 /nfs/dbraw/zinc/36/45/73/215364573.db2.gz UEMIVCQFXKPUED-SECBINFHSA-N 0 0 327.797 1.325 10 0 EDAERN CCNc1ncnc(Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1N ZINC000040705574 213371697 /nfs/dbraw/zinc/37/16/97/213371697.db2.gz YHPCNUBDXRKSQV-UHFFFAOYSA-N 0 0 345.359 1.807 10 0 EDAERN Cn1ccnc1[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1cccs1 ZINC000069142661 215363217 /nfs/dbraw/zinc/36/32/17/215363217.db2.gz HCWCLCZYQNLOFC-DGCLKSJQSA-N 0 0 325.459 1.738 10 0 EDAERN O=C1CN(S(=O)(=O)C2CCCC2)C[C@@H]2c3ccccc3CCN12 ZINC000040679410 213368388 /nfs/dbraw/zinc/36/83/88/213368388.db2.gz MCTFCLLUWZGUAQ-MRXNPFEDSA-N 0 0 334.441 1.700 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)c1cc(Br)cnc1NN ZINC000069238927 215372683 /nfs/dbraw/zinc/37/26/83/215372683.db2.gz YDTFKMXTILRQFR-UHFFFAOYSA-N 0 0 349.254 1.550 10 0 EDAERN COCc1c(Br)cccc1N[C@H]1CC(=O)N(C)C1=O ZINC000040491593 213319672 /nfs/dbraw/zinc/31/96/72/213319672.db2.gz BEJBOAFEQQKYMK-NSHDSACASA-N 0 0 327.178 1.765 10 0 EDAERN COCc1c(Br)cccc1N[C@@H](C)C(=O)NC(N)=O ZINC000040491713 213319698 /nfs/dbraw/zinc/31/96/98/213319698.db2.gz DKUROQNRAPQDGB-ZETCQYMHSA-N 0 0 330.182 1.591 10 0 EDAERN CCC(=O)NCCc1nc2ccccc2n1CC(=O)NCCCOC ZINC000040299075 213289796 /nfs/dbraw/zinc/28/97/96/213289796.db2.gz NFPHTVJRHDTGLQ-UHFFFAOYSA-N 0 0 346.431 1.258 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCCN1CN1c2ccccc2C(=O)C1=O ZINC000039380695 213236667 /nfs/dbraw/zinc/23/66/67/213236667.db2.gz HBKVATXNAZLNFE-INIZCTEOSA-N 0 0 343.427 1.896 10 0 EDAERN COc1cc(C(=O)NC(=S)NCC(C)C)cc(OC)c1OC ZINC000039236359 213232766 /nfs/dbraw/zinc/23/27/66/213232766.db2.gz LARACLBVAIICDK-UHFFFAOYSA-N 0 0 326.418 1.973 10 0 EDAERN Cc1nc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 ZINC000183345506 235020570 /nfs/dbraw/zinc/02/05/70/235020570.db2.gz CSIAHNJSZULAIZ-BBRMVZONSA-N 0 0 346.362 1.695 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@@H]1N1CCOCC1 ZINC000183380779 235036704 /nfs/dbraw/zinc/03/67/04/235036704.db2.gz MBYROQYLCINKKU-PBHICJAKSA-N 0 0 341.415 1.060 10 0 EDAERN C[C@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000180650672 299225203 /nfs/dbraw/zinc/22/52/03/299225203.db2.gz PRFLPCBHHKNBSP-VMXABPDPSA-N 0 0 336.413 1.374 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)c2ccc(F)cc2F)c(=O)n(C)c1 ZINC000038492054 213211483 /nfs/dbraw/zinc/21/14/83/213211483.db2.gz GGXMWFUSXQLGGP-UHFFFAOYSA-N 0 0 335.310 1.618 10 0 EDAERN CCN(CC)C(=O)c1cc(NC(=O)c2c(C)noc2C)c(=O)n(C)c1 ZINC000038492182 213211345 /nfs/dbraw/zinc/21/13/45/213211345.db2.gz XVRFSBWCJWQDRC-UHFFFAOYSA-N 0 0 346.387 1.724 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000177020124 540102751 /nfs/dbraw/zinc/10/27/51/540102751.db2.gz JPQFRFLOXJOLGY-LLVKDONJSA-N 0 0 339.351 1.317 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1N1CCOCC1 ZINC000177883834 540107035 /nfs/dbraw/zinc/10/70/35/540107035.db2.gz GERIQMZIPQBEJP-CZUORRHYSA-N 0 0 333.436 1.478 10 0 EDAERN CC[C@@H](CO)N1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000179408824 540117499 /nfs/dbraw/zinc/11/74/99/540117499.db2.gz LSFLZXFUDCESIH-HOCLYGCPSA-N 0 0 348.447 1.112 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cn1 ZINC000181678647 540127759 /nfs/dbraw/zinc/12/77/59/540127759.db2.gz RDYJTPNDYNLJFD-CQSZACIVSA-N 0 0 332.791 1.631 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)NCCCn2ccnn2)cc1OC ZINC000182208647 540130704 /nfs/dbraw/zinc/13/07/04/540130704.db2.gz HSQVDQIDQGNGRA-GFCCVEGCSA-N 0 0 333.392 1.746 10 0 EDAERN COc1ccc([C@H](C)NC(=O)NCCCn2ccnn2)cc1OC ZINC000182208555 540130941 /nfs/dbraw/zinc/13/09/41/540130941.db2.gz HSQVDQIDQGNGRA-LBPRGKRZSA-N 0 0 333.392 1.746 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CC[C@H](Oc2cccc(F)c2)C1)C(C)C ZINC000183030923 540135792 /nfs/dbraw/zinc/13/57/92/540135792.db2.gz ZKCMJQPNUWQTCZ-LSDHHAIUSA-N 0 0 337.395 1.759 10 0 EDAERN O=C(c1c[nH]c(=O)c2ccccc12)N1CC[C@@H](N2CCOCC2)C1 ZINC000187855112 540156418 /nfs/dbraw/zinc/15/64/18/540156418.db2.gz XGIFYLATMVAXAK-CYBMUJFWSA-N 0 0 327.384 1.075 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000189193889 540163519 /nfs/dbraw/zinc/16/35/19/540163519.db2.gz BPQLXCQGZSVQNZ-KSHAWTQOSA-N 0 0 334.391 1.717 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C2)cn1 ZINC000184013865 235285350 /nfs/dbraw/zinc/28/53/50/235285350.db2.gz WBNFERQHWQMDDH-ZBFHGGJFSA-N 0 0 342.399 1.613 10 0 EDAERN COCCN1CCN(CC(=O)NCc2ccc(C)c(F)c2)C[C@H]1C ZINC000105833185 219551597 /nfs/dbraw/zinc/55/15/97/219551597.db2.gz UYKUSZCPBVIXLJ-OAHLLOKOSA-N 0 0 337.439 1.403 10 0 EDAERN Cn1c(NCCc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000546296 209658848 /nfs/dbraw/zinc/65/88/48/209658848.db2.gz XZMIRJNHLYKYSQ-UHFFFAOYSA-N 0 0 347.806 1.279 10 0 EDAERN CCCNS(=O)(=O)c1ccc(NCCCS(C)(=O)=O)cc1 ZINC000038048350 213197346 /nfs/dbraw/zinc/19/73/46/213197346.db2.gz DXGKKNSXVCMJJP-UHFFFAOYSA-N 0 0 334.463 1.222 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000072820268 138210890 /nfs/dbraw/zinc/21/08/90/138210890.db2.gz CORGHIVOXSXJRB-HNNXBMFYSA-N 0 0 338.367 1.399 10 0 EDAERN C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)s1 ZINC000076252776 138247656 /nfs/dbraw/zinc/24/76/56/138247656.db2.gz YIAFOFDBHUEGFY-SSDOTTSWSA-N 0 0 329.809 1.909 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000077169714 138251834 /nfs/dbraw/zinc/25/18/34/138251834.db2.gz XLVSHUQDMZQRJD-CYBMUJFWSA-N 0 0 341.358 1.827 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nncn3C)c2)C[C@H](C)O1 ZINC000080197807 138263749 /nfs/dbraw/zinc/26/37/49/138263749.db2.gz QYFSHQASVPSDBK-RYUDHWBXSA-N 0 0 343.387 1.056 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nncn3C)c2)C[C@@H](C)O1 ZINC000080197811 138263802 /nfs/dbraw/zinc/26/38/02/138263802.db2.gz QYFSHQASVPSDBK-VXGBXAGGSA-N 0 0 343.387 1.056 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000087563174 138271997 /nfs/dbraw/zinc/27/19/97/138271997.db2.gz NJMGFWXHSBWBFZ-LLVKDONJSA-N 0 0 340.449 1.007 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnc(Cc2ccccc2)s1 ZINC000091781349 138284933 /nfs/dbraw/zinc/28/49/33/138284933.db2.gz QPSVXISEQKKOHU-LBPRGKRZSA-N 0 0 331.397 1.060 10 0 EDAERN Cc1nn(-c2ccccc2)c(Cl)c1CN1CCOC[C@H]1C(N)=O ZINC000092231346 138287146 /nfs/dbraw/zinc/28/71/46/138287146.db2.gz OLCYMGJUPPJZPL-AWEZNQCLSA-N 0 0 334.807 1.520 10 0 EDAERN Cc1c(C(=O)N2CCCN(c3cccnn3)CC2)cnn1C(C)C ZINC000092414861 138288833 /nfs/dbraw/zinc/28/88/33/138288833.db2.gz YHPSQTXOKZCZJX-UHFFFAOYSA-N 0 0 328.420 1.915 10 0 EDAERN O=C1N[C@H](c2ccc(-n3cnc4ccccc43)cc2)N2CCOC[C@H]12 ZINC000093883163 138294792 /nfs/dbraw/zinc/29/47/92/138294792.db2.gz DIBNUGZJCVWJHX-MSOLQXFVSA-N 0 0 334.379 1.855 10 0 EDAERN O=C(C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)[N-]OCc1ccccc1 ZINC000119465018 138314188 /nfs/dbraw/zinc/31/41/88/138314188.db2.gz JRBAXUPVWMTEJU-QGZVFWFLSA-N 0 0 327.384 1.783 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3sc(C)nc3C)CC2)no1 ZINC000110024173 138306649 /nfs/dbraw/zinc/30/66/49/138306649.db2.gz LURBAOAAGQJWSU-UHFFFAOYSA-N 0 0 335.433 1.799 10 0 EDAERN O=C(CNC(=O)c1cccc(F)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000111620503 138308584 /nfs/dbraw/zinc/30/85/84/138308584.db2.gz AIIWBVKMZCUUOP-CYBMUJFWSA-N 0 0 349.387 1.612 10 0 EDAERN C[C@H](CC(=O)N[C@@H]1CCc2ncnn2C1)NC(=O)C1CCCCC1 ZINC000112646658 138309380 /nfs/dbraw/zinc/30/93/80/138309380.db2.gz NJUBEZIMTCLNOV-TZMCWYRMSA-N 0 0 333.436 1.184 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1cccc(OC)c1)CC2 ZINC000114868215 138310741 /nfs/dbraw/zinc/31/07/41/138310741.db2.gz UYQFDIYVHAQHIP-LBPRGKRZSA-N 0 0 330.388 1.359 10 0 EDAERN O=C(CCNC(=O)OCC(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000125113560 138332210 /nfs/dbraw/zinc/33/22/10/138332210.db2.gz IVEBNUPJUJRBCA-UHFFFAOYSA-N 0 0 348.325 1.794 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000132693813 138381108 /nfs/dbraw/zinc/38/11/08/138381108.db2.gz RSUZCDXLCHNNAB-KGLIPLIRSA-N 0 0 334.420 1.418 10 0 EDAERN C[C@H]1CN(C(=O)CSCc2cscn2)C[C@H]1N1CCOCC1 ZINC000132908466 138385090 /nfs/dbraw/zinc/38/50/90/138385090.db2.gz VDRQQQBBOLSOTJ-GXTWGEPZSA-N 0 0 341.502 1.555 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000186319990 235876364 /nfs/dbraw/zinc/87/63/64/235876364.db2.gz ASNPFXQUYDBZEQ-UHFFFAOYSA-N 0 0 347.198 1.346 10 0 EDAERN C[C@H](CNC(=O)c1ccc(Br)c(O)c1)N1CCOCC1 ZINC000133053488 138387394 /nfs/dbraw/zinc/38/73/94/138387394.db2.gz YLYYZVYVXONNMS-SNVBAGLBSA-N 0 0 343.221 1.605 10 0 EDAERN CCOc1ncccc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133527191 138394873 /nfs/dbraw/zinc/39/48/73/138394873.db2.gz XVGWRRUBTDVONB-GFCCVEGCSA-N 0 0 329.404 1.940 10 0 EDAERN Cc1cc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)co1 ZINC000187087242 236114469 /nfs/dbraw/zinc/11/44/69/236114469.db2.gz JPKQNNZQPRUTDH-KRWDZBQOSA-N 0 0 344.411 1.786 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccn(C3CCCC3)n2)n1 ZINC000155584739 138541276 /nfs/dbraw/zinc/54/12/76/138541276.db2.gz NWEOGCMSMYZYLN-AWEZNQCLSA-N 0 0 331.376 1.903 10 0 EDAERN O=S(=O)(NC[C@H](c1ccco1)N1CCOCC1)c1ccccc1 ZINC000036078961 213060719 /nfs/dbraw/zinc/06/07/19/213060719.db2.gz QUZVNRPEVLMEOR-OAHLLOKOSA-N 0 0 336.413 1.631 10 0 EDAERN O=C(NC1CN(C[C@@H](O)COc2cccc3ccccc32)C1)C1CC1 ZINC000187977443 236367684 /nfs/dbraw/zinc/36/76/84/236367684.db2.gz HXNHFLVRXNPCEM-QGZVFWFLSA-N 0 0 340.423 1.790 10 0 EDAERN CCN1C(=O)C(=Cc2ccc(OC)c(COC(C)=O)c2)NC1=S ZINC000035657453 213043943 /nfs/dbraw/zinc/04/39/43/213043943.db2.gz AIOCQCUXOUFTEA-MDWZMJQESA-N 0 0 334.397 1.836 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cncc(OC(C)C)c3)CCO2)c1 ZINC000126451001 138611746 /nfs/dbraw/zinc/61/17/46/138611746.db2.gz MDKHVWSBFYQEFS-QGZVFWFLSA-N 0 0 344.415 1.915 10 0 EDAERN COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000127935951 138618294 /nfs/dbraw/zinc/61/82/94/138618294.db2.gz MEXQSBLSEXUCMK-AWEZNQCLSA-N 0 0 346.362 1.870 10 0 EDAERN O=Cc1cccc(OCC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000161369063 138643059 /nfs/dbraw/zinc/64/30/59/138643059.db2.gz CVAOOSAAPHDGCS-KRWDZBQOSA-N 0 0 326.352 1.953 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cs1)C[NH+]1CCCCC1 ZINC000237437080 295971300 /nfs/dbraw/zinc/97/13/00/295971300.db2.gz XWWFSCNAOKXBDZ-NSHDSACASA-N 0 0 346.474 1.847 10 0 EDAERN O=C(CN[C@@H]1CCS(=O)(=O)C1)Nc1c(Cl)cccc1Cl ZINC000035159817 213010739 /nfs/dbraw/zinc/01/07/39/213010739.db2.gz UQISGGMCIYBQQQ-MRVPVSSYSA-N 0 0 337.228 1.709 10 0 EDAERN CCOC(=O)N1CCN(C(=O)c2c(C)nc3cc(C)ccn32)CC1 ZINC000071468614 215779007 /nfs/dbraw/zinc/77/90/07/215779007.db2.gz CKYMTAKMSDJHGS-UHFFFAOYSA-N 0 0 330.388 1.865 10 0 EDAERN Cc1c(C(=O)Nc2nnc([C@H]3CCCO3)s2)sc(=O)n1C ZINC000071555845 215787259 /nfs/dbraw/zinc/78/72/59/215787259.db2.gz QYJTXXPKGXHEKU-SSDOTTSWSA-N 0 0 326.403 1.711 10 0 EDAERN CC(=O)NCCNS(=O)(=O)c1ccc(-c2ccccc2N)cc1 ZINC000071709917 215797946 /nfs/dbraw/zinc/79/79/46/215797946.db2.gz NDJRBDMWRNPZFS-UHFFFAOYSA-N 0 0 333.413 1.350 10 0 EDAERN CCc1ccc([C@H]2C[C@H](C(=O)NCCOC)CN(C(C)=O)C2)cc1 ZINC000034709187 212983328 /nfs/dbraw/zinc/98/33/28/212983328.db2.gz BKNSXXMLGLXWSD-ROUUACIJSA-N 0 0 332.444 1.964 10 0 EDAERN C[C@@H](NC(=O)Cn1ncn(C)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000179390684 138751674 /nfs/dbraw/zinc/75/16/74/138751674.db2.gz HXQJMMWQGKHQEO-MRVPVSSYSA-N 0 0 329.187 1.766 10 0 EDAERN CNC(=O)[C@H](NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O)C(C)C ZINC000178714495 138744707 /nfs/dbraw/zinc/74/47/07/138744707.db2.gz JLOLYSKCZKLWRM-FUHWJXTLSA-N 0 0 345.443 1.409 10 0 EDAERN O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000072131840 216021075 /nfs/dbraw/zinc/02/10/75/216021075.db2.gz KRIZFLHSRCNOHE-SFHVURJKSA-N 0 0 340.383 1.651 10 0 EDAERN Cc1ccnc(-n2nccc2NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000189802243 237265565 /nfs/dbraw/zinc/26/55/65/237265565.db2.gz YVTIGOGYACLURW-AWEZNQCLSA-N 0 0 344.419 1.370 10 0 EDAERN CCC[C@@H](CCO)CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000176161111 283517876 /nfs/dbraw/zinc/51/78/76/283517876.db2.gz QXIBSFUALXGXSA-KBPBESRZSA-N 0 0 334.482 1.106 10 0 EDAERN O=C(NCCC[C@H]1CCCCO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000184414019 138794725 /nfs/dbraw/zinc/79/47/25/138794725.db2.gz XPRQEOHWLMAEEO-HZPDHXFCSA-N 0 0 336.436 1.643 10 0 EDAERN O=S1(=O)C[C@H](O)[C@@H](Oc2ccc(F)cc2Br)C1 ZINC000037489229 213148797 /nfs/dbraw/zinc/14/87/97/213148797.db2.gz PVEABEBRBFFYNO-WPRPVWTQSA-N 0 0 325.155 1.125 10 0 EDAERN CCOC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2nc1C ZINC000072417087 216206870 /nfs/dbraw/zinc/20/68/70/216206870.db2.gz LPLAFNGSUCMBMH-UHFFFAOYSA-N 0 0 339.351 1.618 10 0 EDAERN O=C([O-])[C@H]1CC2(C[N@@H+]1Cc1nccs1)CCN(C(=O)C1CC1)CC2 ZINC000072436242 216231186 /nfs/dbraw/zinc/23/11/86/216231186.db2.gz QWUXHIJEZDSAJV-CYBMUJFWSA-N 0 0 349.456 1.821 10 0 EDAERN COc1ccccc1NC(=O)c1nnc2nc(SC)nn2c1C ZINC000072452941 216239980 /nfs/dbraw/zinc/23/99/80/216239980.db2.gz PIQZRRBJFKBKHB-UHFFFAOYSA-N 0 0 330.373 1.811 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000130209145 223132863 /nfs/dbraw/zinc/13/28/63/223132863.db2.gz IWWGNCUSQZOCMD-YJBOKZPZSA-N 0 0 341.415 1.555 10 0 EDAERN C[C@@H](NC(=O)C(=O)N[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000027298921 212552447 /nfs/dbraw/zinc/55/24/47/212552447.db2.gz AABYRQRTDIJIJY-WBMJQRKESA-N 0 0 326.352 1.778 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(F)c2C)C1 ZINC000072618231 216283326 /nfs/dbraw/zinc/28/33/26/216283326.db2.gz PZENPZAKNSNYLB-CYBMUJFWSA-N 0 0 349.406 1.980 10 0 EDAERN CCn1cc([C@H]2CN(Cc3cc(=O)n4ccsc4n3)CCO2)cn1 ZINC000190768511 238722968 /nfs/dbraw/zinc/72/29/68/238722968.db2.gz BUFFGKISIZDQDG-CQSZACIVSA-N 0 0 345.428 1.546 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000073022736 216341939 /nfs/dbraw/zinc/34/19/39/216341939.db2.gz UTARFQULGVXMLR-INIZCTEOSA-N 0 0 334.416 1.681 10 0 EDAERN Cc1csc([C@@H](C)CNC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188922050 138855911 /nfs/dbraw/zinc/85/59/11/138855911.db2.gz KCUUHXIKUIKLAO-JTQLQIEISA-N 0 0 336.461 1.865 10 0 EDAERN Nc1ccc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188874598 138854394 /nfs/dbraw/zinc/85/43/94/138854394.db2.gz ROEMVDZMQHOUPN-WFASDCNBSA-N 0 0 338.454 1.727 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000189018335 138858488 /nfs/dbraw/zinc/85/84/88/138858488.db2.gz KPCBSQHAWDWCOS-QZTJIDSGSA-N 0 0 345.443 1.843 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180588665 283794709 /nfs/dbraw/zinc/79/47/09/283794709.db2.gz IVXIGLUNCWLGQD-LRDDRELGSA-N 0 0 340.445 1.558 10 0 EDAERN O=C(NC1CN(C(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)C1)C1CC1 ZINC000189426904 138872768 /nfs/dbraw/zinc/87/27/68/138872768.db2.gz NYGWZZXUUYYAKK-HOTGVXAUSA-N 0 0 347.459 1.152 10 0 EDAERN NC(=S)c1ccccc1S(=O)(=O)NCCc1cccs1 ZINC000021012444 212199020 /nfs/dbraw/zinc/19/90/20/212199020.db2.gz LUPVHTSAOZJBBP-UHFFFAOYSA-N 0 0 326.468 1.903 10 0 EDAERN CCc1nnc(SCC(=O)Nc2ccccc2NC(C)=O)n1N ZINC000020843182 212175521 /nfs/dbraw/zinc/17/55/21/212175521.db2.gz MNXYGRIXCQQZKP-UHFFFAOYSA-N 0 0 334.405 1.244 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@@H](CO)Cc2cccc(C)c2)CC1 ZINC000191155627 138906161 /nfs/dbraw/zinc/90/61/61/138906161.db2.gz CTYOBXGLXXERKI-OFLPRAFFSA-N 0 0 333.428 1.994 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000191421823 138913682 /nfs/dbraw/zinc/91/36/82/138913682.db2.gz YEXUOLHQCSCVHV-SSDOTTSWSA-N 0 0 336.339 1.582 10 0 EDAERN COCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3cccc(C)c3)C2)s1 ZINC000020580518 212149564 /nfs/dbraw/zinc/14/95/64/212149564.db2.gz VQWCBOZEGSFOJI-LLVKDONJSA-N 0 0 346.412 1.952 10 0 EDAERN Nc1ncc(Br)cc1S(=O)(=O)NCc1ccco1 ZINC000020467687 212134512 /nfs/dbraw/zinc/13/45/12/212134512.db2.gz ACPVLPSTGDVIDO-UHFFFAOYSA-N 0 0 332.179 1.498 10 0 EDAERN Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000020221016 212113032 /nfs/dbraw/zinc/11/30/32/212113032.db2.gz IXQVPVUBHRPICA-UHFFFAOYSA-N 0 0 325.777 1.822 10 0 EDAERN CCS(=O)(=O)C1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000192472804 138944845 /nfs/dbraw/zinc/94/48/45/138944845.db2.gz LWRMTOZELTZSCG-CQSZACIVSA-N 0 0 338.429 1.729 10 0 EDAERN CC(=O)N1CCO[C@@H](Cn2ccnc2-c2cc(CC(C)C)[nH]n2)C1 ZINC000077459886 216911257 /nfs/dbraw/zinc/91/12/57/216911257.db2.gz SGSZQKXWYRWXTJ-OAHLLOKOSA-N 0 0 331.420 1.719 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193605365 138973424 /nfs/dbraw/zinc/97/34/24/138973424.db2.gz FLBVEWULZUSAQM-DGCLKSJQSA-N 0 0 325.434 1.237 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCS[C@@H](C)C3)c2)n[nH]1 ZINC000077748813 216967804 /nfs/dbraw/zinc/96/78/04/216967804.db2.gz IRWJQUMAIXQHPJ-JTQLQIEISA-N 0 0 345.428 1.683 10 0 EDAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195333641 139014788 /nfs/dbraw/zinc/01/47/88/139014788.db2.gz DPSNNXJGMQRZRT-HNNXBMFYSA-N 0 0 336.457 1.789 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(N(C)C)ccn1)CC2 ZINC000195405102 139015803 /nfs/dbraw/zinc/01/58/03/139015803.db2.gz JJLAEESZCYQJSJ-LBPRGKRZSA-N 0 0 328.420 1.607 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)Cc1cccc(OC(F)F)c1 ZINC000195426825 139016193 /nfs/dbraw/zinc/01/61/93/139016193.db2.gz XNHOZOACTVKRTG-UHFFFAOYSA-N 0 0 346.359 1.970 10 0 EDAERN CCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000048839350 213968786 /nfs/dbraw/zinc/96/87/86/213968786.db2.gz VEMNPQZJTYWUMJ-UHFFFAOYSA-N 0 0 332.447 1.138 10 0 EDAERN CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(NN)nc1 ZINC000048878050 213970005 /nfs/dbraw/zinc/97/00/05/213970005.db2.gz NWPNMXVUSWGBGQ-UHFFFAOYSA-N 0 0 326.809 1.841 10 0 EDAERN CC(C)n1ccnc1CS(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000195519992 139019746 /nfs/dbraw/zinc/01/97/46/139019746.db2.gz ZCJCLKBGKUGLMP-VIFPVBQESA-N 0 0 341.355 1.446 10 0 EDAERN CC(C)CCOCCNC(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000195521862 139019988 /nfs/dbraw/zinc/01/99/88/139019988.db2.gz IPYYJBVNNONWBH-AWEZNQCLSA-N 0 0 341.477 1.695 10 0 EDAERN Cc1nc(C[C@H]2CCCN(CC(=O)N(C)CC(F)(F)F)C2)no1 ZINC000195518261 139019213 /nfs/dbraw/zinc/01/92/13/139019213.db2.gz GXXCAHWTMLFJCE-LLVKDONJSA-N 0 0 334.342 1.653 10 0 EDAERN O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1CNC(=O)C1 ZINC000134898919 223533681 /nfs/dbraw/zinc/53/36/81/223533681.db2.gz CTPSPCRUDCJUOU-AWEZNQCLSA-N 0 0 325.368 1.778 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000078821577 217129123 /nfs/dbraw/zinc/12/91/23/217129123.db2.gz YDQZTOYDLCAQEN-AWEZNQCLSA-N 0 0 341.415 1.848 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000110916913 220079565 /nfs/dbraw/zinc/07/95/65/220079565.db2.gz MLPIGJBVARXONM-KRWDZBQOSA-N 0 0 341.496 1.354 10 0 EDAERN Cn1ncc(C(=O)N2CCO[C@H](c3nccs3)C2)c1-n1cccc1 ZINC000110884156 220074981 /nfs/dbraw/zinc/07/49/81/220074981.db2.gz BCYNSRYNYTUWMN-ZDUSSCGKSA-N 0 0 343.412 1.881 10 0 EDAERN COCCOc1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111079173 220096677 /nfs/dbraw/zinc/09/66/77/220096677.db2.gz PVSXPQSZGXZGKC-QGZVFWFLSA-N 0 0 345.399 1.450 10 0 EDAERN Cc1cccc(C)c1OCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080401 220096697 /nfs/dbraw/zinc/09/66/97/220096697.db2.gz ZENHBJQTLDNNGA-INIZCTEOSA-N 0 0 329.400 1.806 10 0 EDAERN CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000079981751 217268893 /nfs/dbraw/zinc/26/88/93/217268893.db2.gz TVPAKBBNVGKBBQ-HNNXBMFYSA-N 0 0 335.448 1.947 10 0 EDAERN COc1ccc(OC)c(CN(CCO)Cc2nnnn2C(C)C)c1 ZINC000111271646 220130100 /nfs/dbraw/zinc/13/01/00/220130100.db2.gz MWIZIDCQBZUFSJ-UHFFFAOYSA-N 0 0 335.408 1.266 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000245452765 139075537 /nfs/dbraw/zinc/07/55/37/139075537.db2.gz DWHHPQLMDXMQRD-MCIONIFRSA-N 0 0 348.447 1.812 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3)CCO2)c1 ZINC000112064571 220237338 /nfs/dbraw/zinc/23/73/38/220237338.db2.gz LBTYWEUNLDUBQU-RDJZCZTQSA-N 0 0 329.400 1.886 10 0 EDAERN CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000245692429 139083371 /nfs/dbraw/zinc/08/33/71/139083371.db2.gz WHZXVCMOIYJWCN-QZTJIDSGSA-N 0 0 331.460 1.349 10 0 EDAERN COc1cc2c(c(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000245710695 139083905 /nfs/dbraw/zinc/08/39/05/139083905.db2.gz FVXCMFZZVMUCDQ-SOUVJXGZSA-N 0 0 334.460 1.906 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](C)[C@@H](C)C3)C2=O)n(C)n1 ZINC000245858839 139087566 /nfs/dbraw/zinc/08/75/66/139087566.db2.gz FAELPFMCNVAROX-IPYPFGDCSA-N 0 0 347.463 1.911 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)[C@H](C)N1CCOCC1 ZINC000245919359 139089875 /nfs/dbraw/zinc/08/98/75/139089875.db2.gz SRQFGFPSTGNGQU-ILXRZTDVSA-N 0 0 348.447 1.422 10 0 EDAERN CCSCC[C@H](C)NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246076350 139093800 /nfs/dbraw/zinc/09/38/00/139093800.db2.gz DHDSHVOTWDRLHI-ILXRZTDVSA-N 0 0 329.510 1.880 10 0 EDAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246113399 139095314 /nfs/dbraw/zinc/09/53/14/139095314.db2.gz NQPOZNLVWOWNJQ-RVKKMQEKSA-N 0 0 348.443 1.125 10 0 EDAERN C[C@@H]1CN(Cc2nccn2CC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246428083 139108265 /nfs/dbraw/zinc/10/82/65/139108265.db2.gz LAPWFOTVWSFUHN-CHWSQXEVSA-N 0 0 332.370 1.598 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccc(C)cc3F)CCO2)[nH]1 ZINC000247169704 139138713 /nfs/dbraw/zinc/13/87/13/139138713.db2.gz RBDCKZMSXZRIDB-IAQYHMDHSA-N 0 0 347.394 1.961 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@H](C)OC[C@H]2CCCCO2)CCN1CCOC ZINC000247198120 139139897 /nfs/dbraw/zinc/13/98/97/139139897.db2.gz SWSYAIIZSYJOHN-GVDBMIGSSA-N 0 0 342.480 1.530 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000247206883 139140584 /nfs/dbraw/zinc/14/05/84/139140584.db2.gz LUOHHGRFUPTMSM-OAGGEKHMSA-N 0 0 335.492 1.966 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CCO2)[nH]1 ZINC000247331689 139145204 /nfs/dbraw/zinc/14/52/04/139145204.db2.gz WYGGKMVJZNCXHB-ZMJPVWNMSA-N 0 0 349.435 1.264 10 0 EDAERN Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)N(C(C)C)C(C)C)CCO2)c1 ZINC000247394127 139147109 /nfs/dbraw/zinc/14/71/09/139147109.db2.gz XNORBWXICZBUBM-SJORKVTESA-N 0 0 336.480 1.926 10 0 EDAERN COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1OC ZINC000247896337 139155769 /nfs/dbraw/zinc/15/57/69/139155769.db2.gz UUWRARZCTKXLMC-LLVKDONJSA-N 0 0 332.356 1.732 10 0 EDAERN Cc1ccccc1[C@H](CC(=O)N[C@H]1CCCC[C@H]1CO)NC(N)=O ZINC000247984174 139156880 /nfs/dbraw/zinc/15/68/80/139156880.db2.gz HZGNNFCUMJRMKI-BPUTZDHNSA-N 0 0 333.432 1.762 10 0 EDAERN C[C@H](O)CCNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000248336043 139160436 /nfs/dbraw/zinc/16/04/36/139160436.db2.gz GXDXUYBITMDBRZ-BFHYXJOUSA-N 0 0 341.477 1.580 10 0 EDAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1CCCn2ncnc21 ZINC000090426221 217929476 /nfs/dbraw/zinc/92/94/76/217929476.db2.gz ZIZGYZLCEVKBOG-MRXNPFEDSA-N 0 0 341.415 1.320 10 0 EDAERN CCCCOC[C@@H](O)CN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000248648107 139170049 /nfs/dbraw/zinc/17/00/49/139170049.db2.gz JIISRGDHWGQGPD-STQMWFEESA-N 0 0 327.450 1.724 10 0 EDAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091781983 218065001 /nfs/dbraw/zinc/06/50/01/218065001.db2.gz SQMIYDLMLAETOS-QPUJVOFHSA-N 0 0 347.198 1.473 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000091782346 218065099 /nfs/dbraw/zinc/06/50/99/218065099.db2.gz UHJOXQJHMYIRBZ-MVIFTORASA-N 0 0 344.289 1.311 10 0 EDAERN Cc1cc(O[C@@H](C)C(=O)N2CCOC[C@H]2C(N)=O)ccc1C(C)C ZINC000091784786 218066071 /nfs/dbraw/zinc/06/60/71/218066071.db2.gz PGHDOYFBAPXUGZ-BBRMVZONSA-N 0 0 334.416 1.598 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCCc1csc2ccccc12 ZINC000091785208 218066240 /nfs/dbraw/zinc/06/62/40/218066240.db2.gz HBURBKWZHBQNBF-CQSZACIVSA-N 0 0 332.425 1.937 10 0 EDAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)cn1 ZINC000248703103 139172404 /nfs/dbraw/zinc/17/24/04/139172404.db2.gz GCQSZVDVOGMRTA-YPMHNXCESA-N 0 0 335.433 1.760 10 0 EDAERN CCCCN(C)S(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000248786086 139175403 /nfs/dbraw/zinc/17/54/03/139175403.db2.gz YLAPJUPQQQVKDI-MJBXVCDLSA-N 0 0 332.466 1.769 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CCO2)cn1 ZINC000248799904 139175862 /nfs/dbraw/zinc/17/58/62/139175862.db2.gz PYOHJQPUTCNVLC-INMHGKMJSA-N 0 0 334.464 1.781 10 0 EDAERN CCNC(=O)NC(=O)[C@@H](C)Oc1ccc(C=O)cc1Br ZINC000009363477 211073762 /nfs/dbraw/zinc/07/37/62/211073762.db2.gz AHYHQGIFLAMKGV-MRVPVSSYSA-N 0 0 343.177 1.875 10 0 EDAERN COc1ccc(Br)cc1C(=O)NC(=S)NC[C@@H](C)O ZINC000009270946 211060679 /nfs/dbraw/zinc/06/06/79/211060679.db2.gz CNVPWYFUZUTAMO-SSDOTTSWSA-N 0 0 347.234 1.443 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)c2cnccn2)C1 ZINC000095084223 218275823 /nfs/dbraw/zinc/27/58/23/218275823.db2.gz GOTHWSRYYPYJGC-NSHDSACASA-N 0 0 327.406 1.507 10 0 EDAERN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)OC)cc1 ZINC000009205458 211051293 /nfs/dbraw/zinc/05/12/93/211051293.db2.gz BYWQRLUUDXVJIW-LLVKDONJSA-N 0 0 342.417 1.655 10 0 EDAERN C[C@H]1Sc2ccc(S(=O)(=O)NCc3ccccn3)cc2NC1=O ZINC000006783333 210709834 /nfs/dbraw/zinc/70/98/34/210709834.db2.gz FJJPGNHCPVOSQF-SNVBAGLBSA-N 0 0 349.437 1.993 10 0 EDAERN CN[C@@H](C(=O)NCCc1c[nH]c2cccc(C)c12)c1cnn(C)c1 ZINC000262228999 139261893 /nfs/dbraw/zinc/26/18/93/139261893.db2.gz QCTXNDZYFMSTLW-QGZVFWFLSA-N 0 0 325.416 1.829 10 0 EDAERN CN[C@@H](C(=O)NC[C@@H](C)N1CCc2ccccc21)c1cnn(C)c1 ZINC000262335167 139271080 /nfs/dbraw/zinc/27/10/80/139271080.db2.gz HELCXSXIKYMDTF-CXAGYDPISA-N 0 0 327.432 1.248 10 0 EDAERN Cc1noc(CCNC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000152705971 224001203 /nfs/dbraw/zinc/00/12/03/224001203.db2.gz RKDPYQOYYARHHZ-ZDUSSCGKSA-N 0 0 345.407 1.021 10 0 EDAERN COC(=O)[C@@H]1CN(c2ncc(Cl)cc2Br)CCO1 ZINC000160020980 533015446 /nfs/dbraw/zinc/01/54/46/533015446.db2.gz NDONJPTXTHMUPU-VIFPVBQESA-N 0 0 335.585 1.876 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)[C@H]1CCCO1 ZINC000171227344 533035639 /nfs/dbraw/zinc/03/56/39/533035639.db2.gz XSVDZURTBGUEEC-ZWNOBZJWSA-N 0 0 330.344 1.359 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCS[C@@H](C)[C@@H]2C)cc1CO ZINC000156959317 533048717 /nfs/dbraw/zinc/04/87/17/533048717.db2.gz XHDGMJFTCALHLU-QWRGUYRKSA-N 0 0 331.459 1.702 10 0 EDAERN CNc1cc(N2CCSC[C@H]2S(C)(=O)=O)nc(C2CC2)n1 ZINC000163876218 533053298 /nfs/dbraw/zinc/05/32/98/533053298.db2.gz QPCUEKGWUKKRTR-GFCCVEGCSA-N 0 0 328.463 1.320 10 0 EDAERN CC(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000112473770 220334330 /nfs/dbraw/zinc/33/43/30/220334330.db2.gz YPBCEHDLNPNUQP-SMDDNHRTSA-N 0 0 338.429 1.473 10 0 EDAERN COc1ccc(S[C@H](C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112650711 220364532 /nfs/dbraw/zinc/36/45/32/220364532.db2.gz IMUURDCJVOSOAD-NEPJUHHUSA-N 0 0 332.429 1.899 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000112658724 220366335 /nfs/dbraw/zinc/36/63/35/220366335.db2.gz AHRFABCBNHXKGV-ZBFHGGJFSA-N 0 0 342.399 1.581 10 0 EDAERN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112659812 220367117 /nfs/dbraw/zinc/36/71/17/220367117.db2.gz LHRXZHDVUFYYQT-TZMCWYRMSA-N 0 0 328.372 1.379 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000112662393 220367870 /nfs/dbraw/zinc/36/78/70/220367870.db2.gz ATBGCNDNNABYOJ-CYBMUJFWSA-N 0 0 342.790 1.862 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCc1nc(-c2ccccn2)no1 ZINC000187685765 533122221 /nfs/dbraw/zinc/12/22/21/533122221.db2.gz WXVVUHWDBLORNE-QGZVFWFLSA-N 0 0 344.371 1.618 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113629538 220586874 /nfs/dbraw/zinc/58/68/74/220586874.db2.gz VSKALBYVHREXHT-HNNXBMFYSA-N 0 0 332.404 1.325 10 0 EDAERN NC(=O)COc1cccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000113894777 220605784 /nfs/dbraw/zinc/60/57/84/220605784.db2.gz ZRAIOVJRPBYXBN-OAHLLOKOSA-N 0 0 328.372 1.641 10 0 EDAERN O=S(=O)(c1ccccc1Cl)N1CCC[C@H](n2cncn2)C1 ZINC000114209760 220655538 /nfs/dbraw/zinc/65/55/38/220655538.db2.gz PICXGCGOMRNEEL-NSHDSACASA-N 0 0 326.809 1.957 10 0 EDAERN COc1ccc(-c2ccncc2)cc1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000186884619 533184058 /nfs/dbraw/zinc/18/40/58/533184058.db2.gz AZSWIZUIPOLUTF-NVXWUHKLSA-N 0 0 325.368 1.586 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cccc(C(=O)NC)c1)CC2 ZINC000114900424 220773487 /nfs/dbraw/zinc/77/34/87/220773487.db2.gz XFWWIAPWLYKGHA-CYBMUJFWSA-N 0 0 342.403 1.337 10 0 EDAERN COCCOc1cc(C(=O)N[C@H]2CCCn3nc(C)nc32)ccn1 ZINC000181684928 533210850 /nfs/dbraw/zinc/21/08/50/533210850.db2.gz HLHGZWXRJINFOP-ZDUSSCGKSA-N 0 0 331.376 1.272 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)COCCOc3ccccc3)C2)cn1 ZINC000116115522 220930592 /nfs/dbraw/zinc/93/05/92/220930592.db2.gz OADWVNRSQVUWFC-HNNXBMFYSA-N 0 0 329.400 1.832 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000117274431 221039820 /nfs/dbraw/zinc/03/98/20/221039820.db2.gz HKYJFCZRMBTANG-SJLPKXTDSA-N 0 0 333.476 1.859 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cnc(Cl)c(C)c2)C[C@H]1C ZINC000117370094 221058923 /nfs/dbraw/zinc/05/89/23/221058923.db2.gz ZKVGWMWEPJSGGW-GFCCVEGCSA-N 0 0 347.868 1.385 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(C)ccc2C)C[C@H]1C ZINC000117370015 221058956 /nfs/dbraw/zinc/05/89/56/221058956.db2.gz BIVSDLOHJICNDV-OAHLLOKOSA-N 0 0 326.462 1.645 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2cc(C)ccc2F)CCN1CCOC ZINC000117371833 221059149 /nfs/dbraw/zinc/05/91/49/221059149.db2.gz WQJQRAYDJRKYSO-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)CC2CCCCC2)CCN1CCOC ZINC000117372048 221059226 /nfs/dbraw/zinc/05/92/26/221059226.db2.gz PBXWGXIDVVAFGS-MRXNPFEDSA-N 0 0 332.510 1.939 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)CCN1CCOC ZINC000117309915 221050527 /nfs/dbraw/zinc/05/05/27/221050527.db2.gz BHLLLRZUWFKRHP-MRXNPFEDSA-N 0 0 344.415 1.919 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(OC)ccc2OC)CCN1CCOC ZINC000117306647 221050556 /nfs/dbraw/zinc/05/05/56/221050556.db2.gz ZNLKVRJVGXUGQW-CQSZACIVSA-N 0 0 336.432 1.887 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000117521728 221073046 /nfs/dbraw/zinc/07/30/46/221073046.db2.gz KCOPCCBGJVBVJK-HNNXBMFYSA-N 0 0 347.459 1.811 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC000117522328 221074469 /nfs/dbraw/zinc/07/44/69/221074469.db2.gz ATVSNJGPAIXCFL-ZDUSSCGKSA-N 0 0 337.395 1.252 10 0 EDAERN COc1ccc(Cl)c(S(=O)(=O)NCCn2cc(C)cn2)c1 ZINC000117927361 221100379 /nfs/dbraw/zinc/10/03/79/221100379.db2.gz MMVVRMJNYSTEOG-UHFFFAOYSA-N 0 0 329.809 1.832 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)c1 ZINC000118134002 221128113 /nfs/dbraw/zinc/12/81/13/221128113.db2.gz SKNXGGVQCOKICV-UHFFFAOYSA-N 0 0 338.371 1.132 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000118133700 221128484 /nfs/dbraw/zinc/12/84/84/221128484.db2.gz JHFKHOPEPWKADK-UHFFFAOYSA-N 0 0 326.278 1.364 10 0 EDAERN COCCCN(Cc1ccncc1)C(=O)NCCn1cc(C)cn1 ZINC000118080615 221112696 /nfs/dbraw/zinc/11/26/96/221112696.db2.gz XQVWASRMDLOZCD-UHFFFAOYSA-N 0 0 331.420 1.835 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nn1cnc2ccccc21 ZINC000154601412 224278106 /nfs/dbraw/zinc/27/81/06/224278106.db2.gz OYVPVHOXZLGRPB-GFCCVEGCSA-N 0 0 341.375 1.562 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000154919979 224326815 /nfs/dbraw/zinc/32/68/15/224326815.db2.gz RUFQNNZGLLSKAE-BPUTZDHNSA-N 0 0 331.416 1.642 10 0 EDAERN O=C(N[C@H]1COc2ccccc21)N1CCC(Cn2ccnn2)CC1 ZINC000119507879 221335230 /nfs/dbraw/zinc/33/52/30/221335230.db2.gz ZPMWIBMPVVZSOK-HNNXBMFYSA-N 0 0 327.388 1.833 10 0 EDAERN O=C(NCCOc1ccc(Cl)cn1)N[C@@H]1CCCC[C@@H]1CO ZINC000119772409 221398040 /nfs/dbraw/zinc/39/80/40/221398040.db2.gz WQXFTBRSQBWXTH-DGCLKSJQSA-N 0 0 327.812 1.964 10 0 EDAERN Cc1nnc(C[C@@H]2CO[C@H]3CN(C(=O)Cc4ccccc4C)C[C@H]32)o1 ZINC000248131690 257662974 /nfs/dbraw/zinc/66/29/74/257662974.db2.gz BBPFMTIEAJSPJH-IKGGRYGDSA-N 0 0 341.411 1.945 10 0 EDAERN Cc1cccc(CN2C[C@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2=O)c1 ZINC000248011879 257669151 /nfs/dbraw/zinc/66/91/51/257669151.db2.gz FFXFOGFXNNKAAA-JKSUJKDBSA-N 0 0 338.411 1.459 10 0 EDAERN O=C(c1ccoc1)N1CC[C@@H]2[C@@H](CO[C@@H]2CNc2ncccn2)C1 ZINC000247881287 257675699 /nfs/dbraw/zinc/67/56/99/257675699.db2.gz VRMWEGJQPZDGSC-RBSFLKMASA-N 0 0 328.372 1.659 10 0 EDAERN COC[C@@H]1CC[C@@H]2[C@@H](CCN2S(=O)(=O)Cc2ccccc2)O1 ZINC000247877727 257675955 /nfs/dbraw/zinc/67/59/55/257675955.db2.gz OTTNDIBDQZLMDG-ARFHVFGLSA-N 0 0 325.430 1.785 10 0 EDAERN O=C(NCc1cccs1)[C@@H]1C[C@H]2CCN(c3ncccn3)C[C@@H]2O1 ZINC000247459455 257682592 /nfs/dbraw/zinc/68/25/92/257682592.db2.gz AHIBCDAMVUACIT-SNPRPXQTSA-N 0 0 344.440 1.838 10 0 EDAERN CS(=O)(=O)c1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000171510820 533456727 /nfs/dbraw/zinc/45/67/27/533456727.db2.gz LBCCSOAEECFSNT-CQSZACIVSA-N 0 0 337.445 1.792 10 0 EDAERN COc1cccc(CO[C@@H](C)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177577454 533527543 /nfs/dbraw/zinc/52/75/43/533527543.db2.gz HRKPKDCYBAFIBP-WFASDCNBSA-N 0 0 330.388 1.843 10 0 EDAERN COC(=O)CCc1nc(Cn2c3ccccc3nc2[C@@H](C)O)no1 ZINC000181497407 533464400 /nfs/dbraw/zinc/46/44/00/533464400.db2.gz XZRGDYPRIYSSPI-SNVBAGLBSA-N 0 0 330.344 1.627 10 0 EDAERN COC(=O)[C@H]1CN(C(=O)c2cccc(N)c2Br)C[C@H]1C ZINC000158989096 533471692 /nfs/dbraw/zinc/47/16/92/533471692.db2.gz FQXCEEVZLRMQBZ-SCZZXKLOSA-N 0 0 341.205 1.912 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(C(N)=S)ccc1Cl)[C@H]1CCOC1 ZINC000166234708 533479943 /nfs/dbraw/zinc/47/99/43/533479943.db2.gz CWLHAEFRAXENKA-SCZZXKLOSA-N 0 0 348.877 1.678 10 0 EDAERN CSCCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000153491152 533568642 /nfs/dbraw/zinc/56/86/42/533568642.db2.gz PIXCELHYLWLSKT-MRXNPFEDSA-N 0 0 337.489 1.800 10 0 EDAERN C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)C(=O)N1CCCCC1 ZINC000153724606 533605313 /nfs/dbraw/zinc/60/53/13/533605313.db2.gz SNNQHOWNRPMVBI-JYJNAYRXSA-N 0 0 347.463 1.877 10 0 EDAERN C[C@H](NC(=O)N1C[C@@H](C)OC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000182258760 533614684 /nfs/dbraw/zinc/61/46/84/533614684.db2.gz FEJNVOZBLRUTPC-XQQFMLRXSA-N 0 0 340.445 1.970 10 0 EDAERN C[C@H](NC(=O)NCCCOCCO)c1cccc(-n2ccnc2)c1 ZINC000181617436 533640544 /nfs/dbraw/zinc/64/05/44/533640544.db2.gz ZYMQYEGUMFONER-AWEZNQCLSA-N 0 0 332.404 1.632 10 0 EDAERN CC(=O)Nc1ccc2c(c1)O[C@H](C)C(=O)N2CCN1CCOCC1 ZINC000020360184 135720267 /nfs/dbraw/zinc/72/02/67/135720267.db2.gz JPMIVGKIJGWHGM-GFCCVEGCSA-N 0 0 333.388 1.091 10 0 EDAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)C[C@@H]2CCCCC(=O)N2)n1 ZINC000328976905 140688007 /nfs/dbraw/zinc/68/80/07/140688007.db2.gz DBSCPWZBSATAIH-GMXABZIVSA-N 0 0 336.392 1.956 10 0 EDAERN O=C(c1ncoc1[C@@H]1CCCO1)N1CCO[C@H](COCC2CC2)C1 ZINC000330136342 140805375 /nfs/dbraw/zinc/80/53/75/140805375.db2.gz NGOQRAPSMYBHPS-KBPBESRZSA-N 0 0 336.388 1.794 10 0 EDAERN O=S(=O)(c1cccc2cnccc21)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333018629 141250798 /nfs/dbraw/zinc/25/07/98/141250798.db2.gz CWQLXIOCOJCULO-ZDUSSCGKSA-N 0 0 343.412 1.921 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)CCNC(=O)CC(C)C)C12CCOCC2 ZINC000187159027 286525769 /nfs/dbraw/zinc/52/57/69/286525769.db2.gz CHNOLRATULOAEP-GJZGRUSLSA-N 0 0 340.464 1.629 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCN3C(=O)NC[C@H]3C1)[C@H](C)C2 ZINC000248405934 292360222 /nfs/dbraw/zinc/36/02/22/292360222.db2.gz BKNAWEDGDXBXJC-IVMMDQJWSA-N 0 0 328.416 1.647 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C[C@H](C)O1 ZINC000121428945 296860076 /nfs/dbraw/zinc/86/00/76/296860076.db2.gz IJWDGEUVRGFTIA-DJZPMSPPSA-N 0 0 334.391 1.981 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCOCC(F)(F)F ZINC000083700956 287316648 /nfs/dbraw/zinc/31/66/48/287316648.db2.gz SYGFVDZMCJWINB-SNVBAGLBSA-N 0 0 335.330 1.690 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCCc3ccc(C)nc3)CCO2)c1 ZINC000112112269 287339652 /nfs/dbraw/zinc/33/96/52/287339652.db2.gz GNIKYEGYLRXGEC-QGZVFWFLSA-N 0 0 343.431 1.548 10 0 EDAERN NN[C@@H](Cc1ccc(I)cc1)c1csnn1 ZINC000156934685 224742960 /nfs/dbraw/zinc/74/29/60/224742960.db2.gz KCNHNDOZYLLZTJ-VIFPVBQESA-N 0 0 346.197 1.890 10 0 EDAERN CS(=O)(=O)C[C@H](O)Cc1cc(Br)cc2c1OCC2 ZINC000157691706 224871125 /nfs/dbraw/zinc/87/11/25/224871125.db2.gz WGFFCOYCUOFMOZ-LLVKDONJSA-N 0 0 335.219 1.332 10 0 EDAERN O=c1c(Br)c(Br)cnn1CCCCCO ZINC000158661290 225061225 /nfs/dbraw/zinc/06/12/25/225061225.db2.gz KZCQZCIOPPNNPG-UHFFFAOYSA-N 0 0 340.015 1.931 10 0 EDAERN CCn1ncc(NCC[C@@H](C)[S@@](C)=O)c(Br)c1=O ZINC000158772304 225083245 /nfs/dbraw/zinc/08/32/45/225083245.db2.gz XOSVNYWMZVPDHE-CVJBHZAOSA-N 0 0 336.255 1.595 10 0 EDAERN O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119570038 287354483 /nfs/dbraw/zinc/35/44/83/287354483.db2.gz HPTYNTJLEQYIFZ-IRXDYDNUSA-N 0 0 327.465 1.968 10 0 EDAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000163329748 225957826 /nfs/dbraw/zinc/95/78/26/225957826.db2.gz AFNNLXBOGHAIRI-ZJUUUORDSA-N 0 0 342.193 1.202 10 0 EDAERN Cc1ccc(C(=O)N2CCO[C@@H](C(N)=S)C2)c(Br)c1 ZINC000163681586 226006315 /nfs/dbraw/zinc/00/63/15/226006315.db2.gz QXVXYDKZWBIDSW-LLVKDONJSA-N 0 0 343.246 1.885 10 0 EDAERN O=C(Cn1cnc(Cl)c(Br)c1=O)NC1CCCC1 ZINC000164894907 226102697 /nfs/dbraw/zinc/10/26/97/226102697.db2.gz YUPUHROEWUBYOT-UHFFFAOYSA-N 0 0 334.601 1.718 10 0 EDAERN Cc1ccc(Br)c(Nc2nc(N)nc(-n3cncn3)n2)c1 ZINC000164404714 226069879 /nfs/dbraw/zinc/06/98/79/226069879.db2.gz UIFGPXZYMKZVSV-UHFFFAOYSA-N 0 0 347.180 1.849 10 0 EDAERN CS(=O)(=O)CC[C@@H](N)C(=O)[C@H]1CCOC2(CCSCC2)C1 ZINC000167119946 226180286 /nfs/dbraw/zinc/18/02/86/226180286.db2.gz LXZUYSMNKJVBFK-NWDGAFQWSA-N 0 0 335.491 1.010 10 0 EDAERN Cn1ncnc1CS(=O)(=O)c1ccc(Br)cc1N ZINC000165758789 226135343 /nfs/dbraw/zinc/13/53/43/226135343.db2.gz CUAJOODYBQSQKQ-UHFFFAOYSA-N 0 0 331.195 1.134 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)CCSc2ccc(N)cc2)CC[C@@H]1O ZINC000165974190 226142908 /nfs/dbraw/zinc/14/29/08/226142908.db2.gz SSLMBEFYPVEWSU-RISCZKNCSA-N 0 0 330.475 1.393 10 0 EDAERN C[C@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)C1 ZINC000166001881 226144018 /nfs/dbraw/zinc/14/40/18/226144018.db2.gz PPNWGUCNNLFEGA-YUMQZZPRSA-N 0 0 339.244 1.967 10 0 EDAERN O=S1(=O)CC[C@@H](c2nsc(I)n2)C1 ZINC000166101490 226148158 /nfs/dbraw/zinc/14/81/58/226148158.db2.gz OUOVHGUAXOSQIT-SCSAIBSYSA-N 0 0 330.172 1.045 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)[C@H]1CCCO1 ZINC000171227340 226958628 /nfs/dbraw/zinc/95/86/28/226958628.db2.gz XSVDZURTBGUEEC-GXFFZTMASA-N 0 0 330.344 1.359 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCNC(=O)OC(C)(C)C)cn1 ZINC000171470934 227098762 /nfs/dbraw/zinc/09/87/62/227098762.db2.gz IEJLLDKUGPFDRM-ZDUSSCGKSA-N 0 0 337.424 1.791 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120904796 221706692 /nfs/dbraw/zinc/70/66/92/221706692.db2.gz JRDBXGJIBDGCTC-CPUCHLNUSA-N 0 0 326.437 1.911 10 0 EDAERN O=C(Cc1cc(Cl)ccc1Cl)NC[C@H](O)CN1CCOCC1 ZINC000128066734 287451257 /nfs/dbraw/zinc/45/12/57/287451257.db2.gz HGHNGFMQCVNFEN-ZDUSSCGKSA-N 0 0 347.242 1.345 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000122470834 222095065 /nfs/dbraw/zinc/09/50/65/222095065.db2.gz HHRGJNRSMYDJBH-ZDUSSCGKSA-N 0 0 328.376 1.522 10 0 EDAERN CCC[C@H](CCO)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000122549625 222110926 /nfs/dbraw/zinc/11/09/26/222110926.db2.gz BOQOUNOMSWJFFP-OLZOCXBDSA-N 0 0 339.440 1.357 10 0 EDAERN COc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(O)c1 ZINC000122673200 222135127 /nfs/dbraw/zinc/13/51/27/222135127.db2.gz KYKBMGRKAMHNID-ZDUSSCGKSA-N 0 0 342.399 1.932 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000123356039 222262563 /nfs/dbraw/zinc/26/25/63/222262563.db2.gz TUIYHSSADQLFJP-OIBJUYFYSA-N 0 0 325.166 1.820 10 0 EDAERN C[C@@H](CCO)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000123620735 222306776 /nfs/dbraw/zinc/30/67/76/222306776.db2.gz ZCHGTEDMMOINET-XHDPSFHLSA-N 0 0 347.440 1.570 10 0 EDAERN Cc1ccccc1-n1nccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000124209142 222391688 /nfs/dbraw/zinc/39/16/88/222391688.db2.gz NVELSBBIHBEVBN-ZFWWWQNUSA-N 0 0 342.399 1.803 10 0 EDAERN c1cnn(CCN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000171560268 227141775 /nfs/dbraw/zinc/14/17/75/227141775.db2.gz NGUMWMIMDZPVPC-UHFFFAOYSA-N 0 0 336.443 1.887 10 0 EDAERN CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171615259 227176177 /nfs/dbraw/zinc/17/61/77/227176177.db2.gz DIYKZNFXSCGNRJ-OAHLLOKOSA-N 0 0 349.460 1.366 10 0 EDAERN NC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000171788836 227282046 /nfs/dbraw/zinc/28/20/46/227282046.db2.gz FKPRUBGZBWDQPZ-GFCCVEGCSA-N 0 0 332.385 1.847 10 0 EDAERN Cn1nccc1CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171796564 227284865 /nfs/dbraw/zinc/28/48/65/227284865.db2.gz QLAKMHYFDYHQNK-NVXWUHKLSA-N 0 0 326.400 1.646 10 0 EDAERN O=C(Cc1cn2ccccc2n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883126 227333322 /nfs/dbraw/zinc/33/33/22/227333322.db2.gz XDNAFHIPGPAWNK-OAHLLOKOSA-N 0 0 325.372 1.001 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccccc3SCC(N)=O)C2)cn1 ZINC000172261466 227579652 /nfs/dbraw/zinc/57/96/52/227579652.db2.gz LEEAHEUBLYIUJG-LBPRGKRZSA-N 0 0 344.440 1.627 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCCN2CCc3ccccc32)C1 ZINC000193538895 272995571 /nfs/dbraw/zinc/99/55/71/272995571.db2.gz JMQYZIHTHRVWOC-KRWDZBQOSA-N 0 0 344.459 1.749 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000194280822 273001848 /nfs/dbraw/zinc/00/18/48/273001848.db2.gz HDPHNWOGSMOSDS-NEPJUHHUSA-N 0 0 349.435 1.994 10 0 EDAERN CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000156061117 272928733 /nfs/dbraw/zinc/92/87/33/272928733.db2.gz GHDIGLYESSVQDL-BJJXKVORSA-N 0 0 334.416 1.622 10 0 EDAERN O=C(CCC(=O)N1CC[C@@H](Oc2cccnc2)C1)NC1CCCC1 ZINC000157481440 287684406 /nfs/dbraw/zinc/68/44/06/287684406.db2.gz XEDDKMQEQVFXHZ-MRXNPFEDSA-N 0 0 331.416 1.900 10 0 EDAERN COCCN1CCN(CC(=O)NC2(c3ccccc3)CCC2)C[C@@H]1C ZINC000105833967 274029113 /nfs/dbraw/zinc/02/91/13/274029113.db2.gz KUQVTWBWPNWHEO-KRWDZBQOSA-N 0 0 345.487 1.835 10 0 EDAERN COC(=O)[C@@H](c1cccnc1)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000246386504 287738597 /nfs/dbraw/zinc/73/85/97/287738597.db2.gz IRCDDRQQJYBQLI-DLBZAZTESA-N 0 0 344.415 1.510 10 0 EDAERN CCc1noc(C)c1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190139820 276708208 /nfs/dbraw/zinc/70/82/08/276708208.db2.gz OVDDFIDQPFBKDS-ZDUSSCGKSA-N 0 0 331.376 1.961 10 0 EDAERN CC(=O)NC1(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CCCCC1 ZINC000173863413 278081517 /nfs/dbraw/zinc/08/15/17/278081517.db2.gz VLDAUNMQTUCANX-ZBFHGGJFSA-N 0 0 337.464 1.005 10 0 EDAERN C[C@@H](C1CC1)N(C(=O)CN1CCCN(c2cccnn2)CC1)C1CC1 ZINC000105800058 278218448 /nfs/dbraw/zinc/21/84/48/278218448.db2.gz GLVHBYIBMWTSJC-HNNXBMFYSA-N 0 0 343.475 1.778 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000173163817 280996131 /nfs/dbraw/zinc/99/61/31/280996131.db2.gz NSHBXFDXYKQUDR-XKGZKEIXSA-N 0 0 328.456 1.806 10 0 EDAERN Cc1ccc2c(O)c(C(=O)N3CC[C@H](N4CCOCC4)C3)cnc2n1 ZINC000173979126 281048676 /nfs/dbraw/zinc/04/86/76/281048676.db2.gz NIKIFMNNZADINU-ZDUSSCGKSA-N 0 0 342.399 1.191 10 0 EDAERN CC1(C)CN(C(=O)N[C@@H]2CCc3ncnn3C2)CC2(CCCC2)O1 ZINC000190576010 281182501 /nfs/dbraw/zinc/18/25/01/281182501.db2.gz ZUJOBPOAOMPGII-CYBMUJFWSA-N 0 0 333.436 1.726 10 0 EDAERN CC1(C)CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261782119 281223860 /nfs/dbraw/zinc/22/38/60/281223860.db2.gz GCNJXPXSOYTLSJ-ZDUSSCGKSA-N 0 0 325.434 1.258 10 0 EDAERN CCn1cc(C(=O)C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC)cn1 ZINC000245681350 281617685 /nfs/dbraw/zinc/61/76/85/281617685.db2.gz VHTRWTVAKPPQPK-BNOWGMLFSA-N 0 0 333.388 1.418 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000329585771 289048255 /nfs/dbraw/zinc/04/82/55/289048255.db2.gz RGKCKIKEIMIFMO-IUODEOHRSA-N 0 0 342.399 1.271 10 0 EDAERN C[C@@]1(C(=O)N[C@H]2CCCn3ncnc32)Cc2ccccc2C(=O)O1 ZINC000177601584 289147584 /nfs/dbraw/zinc/14/75/84/289147584.db2.gz BQZGROATIDKAQY-GUYCJALGSA-N 0 0 326.356 1.401 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(F)ccc2C)n1 ZINC000183745064 293968280 /nfs/dbraw/zinc/96/82/80/293968280.db2.gz AVFZQOPLTJATQT-LBPRGKRZSA-N 0 0 341.364 1.588 10 0 EDAERN NC(=O)c1ccccc1NC(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114202071 295191089 /nfs/dbraw/zinc/19/10/89/295191089.db2.gz MBZVUXNRSXKSAU-HNNXBMFYSA-N 0 0 327.388 1.674 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2cccnc2N(C)C)C1 ZINC000171008729 302941277 /nfs/dbraw/zinc/94/12/77/302941277.db2.gz WPKGTMZYJVLXPM-HNNXBMFYSA-N 0 0 347.463 1.738 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCNC(=O)C1CC1)C(C)C ZINC000043944952 440812326 /nfs/dbraw/zinc/81/23/26/440812326.db2.gz ZKJQHFQLGXTECG-INIZCTEOSA-N 0 0 345.443 1.392 10 0 EDAERN [NH3+][C@H](CS[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O)C(=O)[O-] ZINC000005648788 440963662 /nfs/dbraw/zinc/96/36/62/440963662.db2.gz ZFTROWHNUTUWLI-TZMCWYRMSA-N 0 0 344.392 1.617 10 0 EDAERN O=S(=O)(Nc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000005890140 440972660 /nfs/dbraw/zinc/97/26/60/440972660.db2.gz NYFSYALQXYVVBN-MRVPVSSYSA-N 0 0 344.241 1.922 10 0 EDAERN NS(=O)(=O)Oc1ccc2oc(Cc3ccccc3)cc(=O)c2c1 ZINC000013491326 441159239 /nfs/dbraw/zinc/15/92/39/441159239.db2.gz RHDYOOCVLYRNTR-UHFFFAOYSA-N 0 0 331.349 1.966 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000047911920 441235659 /nfs/dbraw/zinc/23/56/59/441235659.db2.gz DHCBDFJAAIFFME-AWEZNQCLSA-N 0 0 333.432 1.858 10 0 EDAERN O=C(CNC(=O)c1cccs1)Nc1ccccc1N1CCOCC1 ZINC000015504849 441204754 /nfs/dbraw/zinc/20/47/54/441204754.db2.gz IGRYVJQAAAPSCM-UHFFFAOYSA-N 0 0 345.424 1.953 10 0 EDAERN Cc1cccc(N2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)c1C ZINC000104799656 441212030 /nfs/dbraw/zinc/21/20/30/441212030.db2.gz IPLZGEBSCARZNP-KRWDZBQOSA-N 0 0 346.475 1.466 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1 ZINC000080976791 441216266 /nfs/dbraw/zinc/21/62/66/441216266.db2.gz REMOBSGMYDCIOK-CYBMUJFWSA-N 0 0 328.420 1.887 10 0 EDAERN COc1ccccc1NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798585 441273528 /nfs/dbraw/zinc/27/35/28/441273528.db2.gz PASJAZGFEWKBLB-UHFFFAOYSA-N 0 0 341.415 1.636 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)Nc3nccs3)CC2)nn1 ZINC000105801298 441273853 /nfs/dbraw/zinc/27/38/53/441273853.db2.gz UHQAMHXVHVDIAT-UHFFFAOYSA-N 0 0 332.433 1.392 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccc[nH]c3=S)CC2)n1 ZINC000105819957 441278219 /nfs/dbraw/zinc/27/82/19/441278219.db2.gz HKTAKBDQRFESDF-UHFFFAOYSA-N 0 0 345.428 1.895 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3c(C)nn(C)c3C)CC2)cn1 ZINC000105829294 441283133 /nfs/dbraw/zinc/28/31/33/441283133.db2.gz AMTFAIWVOACPDU-UHFFFAOYSA-N 0 0 344.463 1.601 10 0 EDAERN Cc1noc(CCCC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000105828098 441283463 /nfs/dbraw/zinc/28/34/63/441283463.db2.gz OPYWGSNBZPYSQR-UHFFFAOYSA-N 0 0 346.435 1.169 10 0 EDAERN CCOCCN1CCN(CC(=O)NC2CCC(C)CC2)C[C@@H]1C ZINC000105834471 441286979 /nfs/dbraw/zinc/28/69/79/441286979.db2.gz MQLGOPSUCJPOJR-CGZBRXJRSA-N 0 0 325.497 1.724 10 0 EDAERN CCOCCN1CCN(CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000105834838 441287394 /nfs/dbraw/zinc/28/73/94/441287394.db2.gz HVGAKIBSVJFHJP-KRWDZBQOSA-N 0 0 349.475 1.224 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)Cc2ccccc2C)C[C@@H]1C ZINC000105834384 441287594 /nfs/dbraw/zinc/28/75/94/441287594.db2.gz GLEUXJZTNMHOHO-SFHVURJKSA-N 0 0 347.503 1.996 10 0 EDAERN CCO[C@@H](C)C(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000105838719 441290617 /nfs/dbraw/zinc/29/06/17/441290617.db2.gz FYXLZXIEHSTINE-LBPRGKRZSA-N 0 0 342.871 1.705 10 0 EDAERN Cc1nnc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)o1 ZINC000105865578 441296336 /nfs/dbraw/zinc/29/63/36/441296336.db2.gz MKSKQVJWWZBYHK-UHFFFAOYSA-N 0 0 338.415 1.882 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)c3c(C)nn(C)c3C)C2)c1 ZINC000105858412 441293039 /nfs/dbraw/zinc/29/30/39/441293039.db2.gz LUQNOFLWMDOMTO-CQSZACIVSA-N 0 0 329.404 1.588 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000106393706 441337204 /nfs/dbraw/zinc/33/72/04/441337204.db2.gz WYEXIPWAFBIYFX-HNNXBMFYSA-N 0 0 328.416 1.605 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000106396728 441338749 /nfs/dbraw/zinc/33/87/49/441338749.db2.gz LSAJEQPZKGDCLD-GOSISDBHSA-N 0 0 342.443 1.330 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)N(C)[C@@H](C)CC(C)C)CCO2)c1 ZINC000105892693 441310227 /nfs/dbraw/zinc/31/02/27/441310227.db2.gz RKFDKOHSONKFDN-DLBZAZTESA-N 0 0 336.480 1.785 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000105903337 441313850 /nfs/dbraw/zinc/31/38/50/441313850.db2.gz XKKFYPSXSCOLSW-ZIAGYGMSSA-N 0 0 326.441 1.097 10 0 EDAERN C[C@@H](NC(=O)NCc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000025532109 441349193 /nfs/dbraw/zinc/34/91/93/441349193.db2.gz BPTYASHXOPKCBG-GFCCVEGCSA-N 0 0 333.413 1.894 10 0 EDAERN C[C@@H](NC(=O)NCC(C)(C)C(N)=O)c1cccc(-n2ccnc2)c1 ZINC000073752681 441349961 /nfs/dbraw/zinc/34/99/61/441349961.db2.gz UIMISRAVDDCSTA-GFCCVEGCSA-N 0 0 329.404 1.744 10 0 EDAERN COCCOCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000073746589 441350104 /nfs/dbraw/zinc/35/01/04/441350104.db2.gz POPFTVLAOLZRQU-SJORKVTESA-N 0 0 336.432 1.947 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000064336664 441373742 /nfs/dbraw/zinc/37/37/42/441373742.db2.gz FIATUVGDKQYSMF-BXUZGUMPSA-N 0 0 332.404 1.668 10 0 EDAERN CC[C@H]1CN2C=NC(N3CCN(C(=O)c4cccnc4)CC3)=CC2=N1 ZINC000065265538 441411539 /nfs/dbraw/zinc/41/15/39/441411539.db2.gz DCVBLIVEZRAMNL-HNNXBMFYSA-N 0 0 338.415 1.215 10 0 EDAERN Cc1cc(CN2CCN3CCNC(=O)[C@@H]3C2)c(C)n1-c1cccnc1 ZINC000065407190 441428113 /nfs/dbraw/zinc/42/81/13/441428113.db2.gz VRNIOACZUOFWEL-SFHVURJKSA-N 0 0 339.443 1.105 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)NCCOc1cccc(F)c1 ZINC000052307248 441446077 /nfs/dbraw/zinc/44/60/77/441446077.db2.gz RBSMMPQGOPAKBX-HNNXBMFYSA-N 0 0 338.379 1.348 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000029143374 441447987 /nfs/dbraw/zinc/44/79/87/441447987.db2.gz PUECWUGTISMBGJ-LBPRGKRZSA-N 0 0 340.383 1.612 10 0 EDAERN CN1CCO[C@H](CNc2ccc3nnc(-c4ccccc4F)n3n2)C1 ZINC000108945502 441481816 /nfs/dbraw/zinc/48/18/16/441481816.db2.gz MGERWDHJHSQJOR-GFCCVEGCSA-N 0 0 342.378 1.673 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)OCCO2 ZINC000087563386 441493584 /nfs/dbraw/zinc/49/35/84/441493584.db2.gz MZMCUYCVSHBJGT-GFCCVEGCSA-N 0 0 328.372 1.877 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn2ccc(C)nc12 ZINC000088196502 441495074 /nfs/dbraw/zinc/49/50/74/441495074.db2.gz CJXOXRIPTQQPFZ-LBPRGKRZSA-N 0 0 325.376 1.457 10 0 EDAERN COCCn1c(C)cc(C(=O)CN2CCC[C@H](NC(C)=O)C2)c1C ZINC000085786909 441450062 /nfs/dbraw/zinc/45/00/62/441450062.db2.gz RQVOOUHHRXVENS-INIZCTEOSA-N 0 0 335.448 1.535 10 0 EDAERN C[C@@H](CC(=O)NC[C@H](C)N1CCOCC1)NC(=O)C1CCCCC1 ZINC000066611690 441551656 /nfs/dbraw/zinc/55/16/56/441551656.db2.gz YHCGWQMNJKFJBD-GJZGRUSLSA-N 0 0 339.480 1.298 10 0 EDAERN C[C@H](CNC(=O)C[C@H](C)NC(=O)C1CCCCC1)N1CCOCC1 ZINC000066611688 441551323 /nfs/dbraw/zinc/55/13/23/441551323.db2.gz YHCGWQMNJKFJBD-LSDHHAIUSA-N 0 0 339.480 1.298 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)CN3CSCC3=O)C2)n1 ZINC000113201998 441587414 /nfs/dbraw/zinc/58/74/14/441587414.db2.gz FGMRHQFCBKQCOZ-NSHDSACASA-N 0 0 339.486 1.944 10 0 EDAERN CN(C)C(=O)N1CCC(C(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000113894672 441626884 /nfs/dbraw/zinc/62/68/84/441626884.db2.gz SNBDDJSXPICNPV-HNNXBMFYSA-N 0 0 333.436 1.857 10 0 EDAERN CN(CCS(C)(=O)=O)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000076302834 441626887 /nfs/dbraw/zinc/62/68/87/441626887.db2.gz AWUXNJUMAVLVQC-CQSZACIVSA-N 0 0 335.853 1.194 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000041181151 441637456 /nfs/dbraw/zinc/63/74/56/441637456.db2.gz UJHCKZHCVFEDES-GFCCVEGCSA-N 0 0 346.408 1.906 10 0 EDAERN Cc1ccc2[nH]c(=O)c(CCC(=O)NCCN3CCOCC3)cc2c1 ZINC000041186566 441638552 /nfs/dbraw/zinc/63/85/52/441638552.db2.gz TYMOISHGZQKXGW-UHFFFAOYSA-N 0 0 343.427 1.218 10 0 EDAERN O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000158287568 441718306 /nfs/dbraw/zinc/71/83/06/441718306.db2.gz QLQYVKYBZNSZHO-KOLCDFICSA-N 0 0 348.325 1.051 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1nc(C)cs1)CC2 ZINC000114955940 441704049 /nfs/dbraw/zinc/70/40/49/441704049.db2.gz LXNZPBRAGVCVSD-QWRGUYRKSA-N 0 0 334.449 1.981 10 0 EDAERN O=C(CO)c1cccc(-c2cnc3ccc(NCCCO)nn32)c1 ZINC000115131129 441712937 /nfs/dbraw/zinc/71/29/37/441712937.db2.gz UHOCSXUVXQGFLS-UHFFFAOYSA-N 0 0 326.356 1.366 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000173333767 441716225 /nfs/dbraw/zinc/71/62/25/441716225.db2.gz VUKVTQYKQUZPEW-HIFRSBDPSA-N 0 0 340.445 1.420 10 0 EDAERN CCN(CC1CC1)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173417280 441741309 /nfs/dbraw/zinc/74/13/09/441741309.db2.gz QCDKQPPOBIGHDB-AWEZNQCLSA-N 0 0 332.452 1.929 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc(C)s2)ncn1 ZINC000173416986 441742404 /nfs/dbraw/zinc/74/24/04/441742404.db2.gz XOSXRLQTPJYIFM-LLVKDONJSA-N 0 0 332.433 1.682 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3cccc(C)n3)CCO2)[nH]1 ZINC000137154635 441750191 /nfs/dbraw/zinc/75/01/91/441750191.db2.gz FZFUYWPJUYBTKX-CYBMUJFWSA-N 0 0 330.392 1.354 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C)nc2)ncn1 ZINC000173445301 441752223 /nfs/dbraw/zinc/75/22/23/441752223.db2.gz MLQMXRSUHZDEEK-CQSZACIVSA-N 0 0 326.404 1.621 10 0 EDAERN COc1cc(CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)ccn1 ZINC000042621302 441759845 /nfs/dbraw/zinc/75/98/45/441759845.db2.gz ZHADRBHXIDLBPO-LBPRGKRZSA-N 0 0 328.372 1.917 10 0 EDAERN Cc1ccc(NC(=O)N[C@H](C)c2nnc3n2CCCC3)cc1C(N)=O ZINC000121528068 441725848 /nfs/dbraw/zinc/72/58/48/441725848.db2.gz JNBRHESZXPXXRG-LLVKDONJSA-N 0 0 342.403 1.904 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COc1ccc(C=O)cc1)CC2 ZINC000136845143 441727600 /nfs/dbraw/zinc/72/76/00/441727600.db2.gz BEBQHYLCPOKGJG-AWEZNQCLSA-N 0 0 342.399 1.724 10 0 EDAERN COc1ccc(CCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1F ZINC000173527274 441777932 /nfs/dbraw/zinc/77/79/32/441777932.db2.gz YJYQFTDIHLIOCM-OAHLLOKOSA-N 0 0 348.378 1.794 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000116122807 441794896 /nfs/dbraw/zinc/79/48/96/441794896.db2.gz XAXSVVFSRYQLHI-ZIAGYGMSSA-N 0 0 334.420 1.605 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccnc(SC)c3)CCO2)[nH]1 ZINC000173572706 441795151 /nfs/dbraw/zinc/79/51/51/441795151.db2.gz AIEWECDUSWSEPB-NSHDSACASA-N 0 0 333.417 1.698 10 0 EDAERN COc1cc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)cc(OC)c1 ZINC000116314545 441810685 /nfs/dbraw/zinc/81/06/85/441810685.db2.gz MUIIMQSXYMPADR-CYBMUJFWSA-N 0 0 344.415 1.865 10 0 EDAERN Cc1ccc(C(=O)NCCNC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077825729 441871874 /nfs/dbraw/zinc/87/18/74/441871874.db2.gz CLWGKWJEPUTJTR-HOTGVXAUSA-N 0 0 333.432 1.575 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3cc(OC)ccc3OC)CCO2)[nH]1 ZINC000173686270 441824413 /nfs/dbraw/zinc/82/44/13/441824413.db2.gz CIDFTPMQQGDLON-OAHLLOKOSA-N 0 0 332.404 1.958 10 0 EDAERN CC(=O)N1CCCC[C@H](Nc2nc(-c3ccncc3)cc(=O)n2C)C1 ZINC000139691472 441824617 /nfs/dbraw/zinc/82/46/17/441824617.db2.gz SCWRSKFQWYQHBY-HNNXBMFYSA-N 0 0 341.415 1.655 10 0 EDAERN COCCOCc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)ccc1F ZINC000173694592 441825334 /nfs/dbraw/zinc/82/53/34/441825334.db2.gz IMLVHVIYQNUGTE-CQSZACIVSA-N 0 0 348.378 1.325 10 0 EDAERN COCc1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173811136 441843339 /nfs/dbraw/zinc/84/33/39/441843339.db2.gz KRHGCKVXDOKQHZ-INIZCTEOSA-N 0 0 329.404 1.971 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)CN1CCCC1=O)c1ccccc1C ZINC000173820488 441845199 /nfs/dbraw/zinc/84/51/99/441845199.db2.gz XUUXBTAIBNLBKM-OAHLLOKOSA-N 0 0 332.400 1.728 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)CC1CCOCC1 ZINC000173840177 441848423 /nfs/dbraw/zinc/84/84/23/441848423.db2.gz HTDKCEXCUHMDMG-OAHLLOKOSA-N 0 0 327.450 1.412 10 0 EDAERN CN(C(=O)CCOC[C@@H]1CCCO1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122630344 441856880 /nfs/dbraw/zinc/85/68/80/441856880.db2.gz VCFHHCDRVWPXDJ-CVEARBPZSA-N 0 0 348.447 1.490 10 0 EDAERN O=C(CCNC(=O)N1CCC[C@H](n2cncn2)C1)NC1CCCCC1 ZINC000174193510 441901116 /nfs/dbraw/zinc/90/11/16/441901116.db2.gz KQMITHYIXSDJJC-HNNXBMFYSA-N 0 0 348.451 1.464 10 0 EDAERN COC(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)ccc21 ZINC000148106347 441912560 /nfs/dbraw/zinc/91/25/60/441912560.db2.gz IIOLZLSXEMFGJW-UHFFFAOYSA-N 0 0 340.339 1.781 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000124272890 441913400 /nfs/dbraw/zinc/91/34/00/441913400.db2.gz LHDACTYTRADMMA-WBVHZDCISA-N 0 0 333.407 1.556 10 0 EDAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174002226 441877090 /nfs/dbraw/zinc/87/70/90/441877090.db2.gz SZEYXRHPRIVPJC-AWEZNQCLSA-N 0 0 344.864 1.744 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2cccnc2OCC(F)F)C1 ZINC000123704382 441896521 /nfs/dbraw/zinc/89/65/21/441896521.db2.gz WSYZMNDTBAXRAD-SNVBAGLBSA-N 0 0 330.335 1.178 10 0 EDAERN COCC[C@@H](C)NC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000174543989 441936724 /nfs/dbraw/zinc/93/67/24/441936724.db2.gz XTTWUCQIYNHQOC-GFCCVEGCSA-N 0 0 325.413 1.020 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NOCc3ccccc3)CC2)no1 ZINC000174715373 441958003 /nfs/dbraw/zinc/95/80/03/441958003.db2.gz CFWZZPRFMVLNQX-UHFFFAOYSA-N 0 0 345.403 1.727 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)N2CCN(CCCOCC(F)(F)F)CC2)O1 ZINC000150828039 441958167 /nfs/dbraw/zinc/95/81/67/441958167.db2.gz RUOOSPBXDXTBHA-STQMWFEESA-N 0 0 338.370 1.667 10 0 EDAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCOC2(CCCC2)C1 ZINC000151007977 441990220 /nfs/dbraw/zinc/99/02/20/441990220.db2.gz KYHFXQZHPKHEKA-UHFFFAOYSA-N 0 0 327.384 1.568 10 0 EDAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000151129665 442010105 /nfs/dbraw/zinc/01/01/05/442010105.db2.gz WWVUYMXQBBHONI-ZFWWWQNUSA-N 0 0 325.434 1.511 10 0 EDAERN CCCS(=O)(=O)CC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000175165350 442010353 /nfs/dbraw/zinc/01/03/53/442010353.db2.gz WLDPNLTYMDDLHB-UHFFFAOYSA-N 0 0 343.449 1.903 10 0 EDAERN Cc1cccc(C(=O)NC[C@@H]2CN(C)CCO2)c1Br ZINC000161677637 442022496 /nfs/dbraw/zinc/02/24/96/442022496.db2.gz SCFCZVWVFSTDKK-LLVKDONJSA-N 0 0 327.222 1.818 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000151259584 442032689 /nfs/dbraw/zinc/03/26/89/442032689.db2.gz QPVQMKYQDRWCFM-BBRMVZONSA-N 0 0 329.462 1.355 10 0 EDAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)N[C@H]1CCc2ncnn2C1 ZINC000120241917 442035105 /nfs/dbraw/zinc/03/51/05/442035105.db2.gz GBEGHWYDSYNBRL-ZDUSSCGKSA-N 0 0 325.372 1.934 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 ZINC000151272371 442035307 /nfs/dbraw/zinc/03/53/07/442035307.db2.gz UUXJZVHEJLXRHL-ZIAGYGMSSA-N 0 0 336.436 1.796 10 0 EDAERN O=S(=O)(/C=C/c1ccc(F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000175311468 442039069 /nfs/dbraw/zinc/03/90/69/442039069.db2.gz KOTBYKWCOAXQEL-JCSUNJAGSA-N 0 0 340.420 1.533 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000162392289 442089619 /nfs/dbraw/zinc/08/96/19/442089619.db2.gz ULGJGBCKHRKSQF-INIZCTEOSA-N 0 0 347.459 1.409 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc(C)c(F)c3)CCO2)[nH]1 ZINC000175335604 442043840 /nfs/dbraw/zinc/04/38/40/442043840.db2.gz XHMWIHSWRDCRPJ-CQSZACIVSA-N 0 0 333.367 1.844 10 0 EDAERN C[C@H](C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1)C1CC1 ZINC000175343333 442046125 /nfs/dbraw/zinc/04/61/25/442046125.db2.gz UKMCOSJILYRTPR-RDJZCZTQSA-N 0 0 332.444 1.617 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)N2CCC(c3cnn(CC)c3)CC2)C1 ZINC000162020021 442056597 /nfs/dbraw/zinc/05/65/97/442056597.db2.gz GQEATFLNPDDNIA-OAHLLOKOSA-N 0 0 332.448 1.868 10 0 EDAERN CCn1ncc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CCCO3)cc21 ZINC000120376802 442059618 /nfs/dbraw/zinc/05/96/18/442059618.db2.gz IDLJEPBRVOCGAM-XHDPSFHLSA-N 0 0 330.388 1.678 10 0 EDAERN Cc1nccn1CCCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000175457411 442067083 /nfs/dbraw/zinc/06/70/83/442067083.db2.gz MMNZMKVSRYZGCE-MRXNPFEDSA-N 0 0 346.435 1.279 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(C)C1 ZINC000120453995 442075118 /nfs/dbraw/zinc/07/51/18/442075118.db2.gz AKPSDLWGAHGZMY-LLVKDONJSA-N 0 0 335.429 1.372 10 0 EDAERN Cn1cnc(CNC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000120477298 442078883 /nfs/dbraw/zinc/07/88/83/442078883.db2.gz LWNITXROLUUBSO-NWDGAFQWSA-N 0 0 337.424 1.515 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000162392139 442088868 /nfs/dbraw/zinc/08/88/68/442088868.db2.gz ULGJGBCKHRKSQF-MRXNPFEDSA-N 0 0 347.459 1.409 10 0 EDAERN C[C@@H]1COC[C@H](C)N1CC(=O)NCCOc1cccc(Cl)c1 ZINC000120857197 442142084 /nfs/dbraw/zinc/14/20/84/442142084.db2.gz NATAYQCXRZURJF-BETUJISGSA-N 0 0 326.824 1.944 10 0 EDAERN CC(C)COCCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175639538 442098435 /nfs/dbraw/zinc/09/84/35/442098435.db2.gz QDZCGHIJVNRZMU-JKSUJKDBSA-N 0 0 327.469 1.411 10 0 EDAERN O=C(NCc1nccs1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000079951977 442100552 /nfs/dbraw/zinc/10/05/52/442100552.db2.gz BYTSONQWOQASBT-NSHDSACASA-N 0 0 337.426 1.861 10 0 EDAERN C[C@H](NC(=O)[C@H](C)S(=O)(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000126389297 442107107 /nfs/dbraw/zinc/10/71/07/442107107.db2.gz DVMWHTKYSQGHIY-SFDCQRBFSA-N 0 0 325.430 1.845 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn(C(C)(C)C)c1 ZINC000127150819 442175895 /nfs/dbraw/zinc/17/58/95/442175895.db2.gz ZPWFDEULTIHZTD-LBPRGKRZSA-N 0 0 332.408 1.641 10 0 EDAERN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176103496 442176590 /nfs/dbraw/zinc/17/65/90/442176590.db2.gz ROGMNTMUTWAYEI-LBPRGKRZSA-N 0 0 347.350 1.406 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000127223903 442183475 /nfs/dbraw/zinc/18/34/75/442183475.db2.gz AENPREVIVKTDPY-HNNXBMFYSA-N 0 0 341.415 1.788 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cccc(-c3nc[nH]n3)c2)n1 ZINC000121184310 442188594 /nfs/dbraw/zinc/18/85/94/442188594.db2.gz LPLBFRJPGFMUKJ-ZDUSSCGKSA-N 0 0 340.343 1.377 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000121289961 442199761 /nfs/dbraw/zinc/19/97/61/442199761.db2.gz VPQFPPPYSAWGQA-CYBMUJFWSA-N 0 0 337.807 1.714 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)Sc3ccccn3)CCO2)c1 ZINC000152351268 442200991 /nfs/dbraw/zinc/20/09/91/442200991.db2.gz GUHXUKXUENLUEJ-GJZGRUSLSA-N 0 0 346.456 1.995 10 0 EDAERN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H]3CNC(=O)C3)cc2)n1 ZINC000175938626 442150760 /nfs/dbraw/zinc/15/07/60/442150760.db2.gz ALQAPCHACMZELA-HIFRSBDPSA-N 0 0 326.400 1.802 10 0 EDAERN O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CCC[C@H]1CO ZINC000120913270 442151429 /nfs/dbraw/zinc/15/14/29/442151429.db2.gz QNQSTBKJBITONL-VIFPVBQESA-N 0 0 337.426 1.793 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)C[C@@H]3CCCCO3)CC2)cn1 ZINC000152369752 442203463 /nfs/dbraw/zinc/20/34/63/442203463.db2.gz RTXPDYPTHWYJAN-KRWDZBQOSA-N 0 0 334.464 1.897 10 0 EDAERN CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000176341503 442212612 /nfs/dbraw/zinc/21/26/12/442212612.db2.gz YIJYVIDDAXQIET-CYBMUJFWSA-N 0 0 349.416 1.378 10 0 EDAERN C[C@@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)CC1(C)OCCO1 ZINC000152982488 442255041 /nfs/dbraw/zinc/25/50/41/442255041.db2.gz VSMACMUSMDKUDS-KGLIPLIRSA-N 0 0 336.436 1.708 10 0 EDAERN CCO[C@@H](CCNC(=O)N[C@H]1CCc2ncnn2C1)C1CCCC1 ZINC000176381776 442216491 /nfs/dbraw/zinc/21/64/91/442216491.db2.gz SAUQUXOBIFAIPK-GJZGRUSLSA-N 0 0 335.452 1.878 10 0 EDAERN COCCN1CCN(c2cccc(OS(C)(=O)=O)c2Cl)CC1 ZINC000167846972 442222535 /nfs/dbraw/zinc/22/25/35/442222535.db2.gz AKKRPIHFMBLBIV-UHFFFAOYSA-N 0 0 348.852 1.447 10 0 EDAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127779606 442225021 /nfs/dbraw/zinc/22/50/21/442225021.db2.gz VNQVBXTUZFYRBA-ACJLOTCBSA-N 0 0 330.384 1.785 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000176769748 442255610 /nfs/dbraw/zinc/25/56/10/442255610.db2.gz MZSNIQZZFHIVDC-XHDPSFHLSA-N 0 0 342.399 1.897 10 0 EDAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000127871476 442230660 /nfs/dbraw/zinc/23/06/60/442230660.db2.gz LGGMDKRRWWENDD-CYBMUJFWSA-N 0 0 336.351 1.612 10 0 EDAERN Cc1n[nH]cc1C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000176538713 442232013 /nfs/dbraw/zinc/23/20/13/442232013.db2.gz DZXLWVYONCXCPK-CQSZACIVSA-N 0 0 334.445 1.925 10 0 EDAERN Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176604350 442239251 /nfs/dbraw/zinc/23/92/51/442239251.db2.gz SUAAWOXKNOYYSU-DZGCQCFKSA-N 0 0 345.403 1.161 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1nc(C)ccc1OC)CC2 ZINC000128046188 442241599 /nfs/dbraw/zinc/24/15/99/442241599.db2.gz FZYMWYVDPFCQEC-NSHDSACASA-N 0 0 330.392 1.689 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1ccccc1 ZINC000153182714 442266094 /nfs/dbraw/zinc/26/60/94/442266094.db2.gz CHLJDKHTVMSOSF-KGLIPLIRSA-N 0 0 345.403 1.292 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1c(CC)noc1CC)CC2 ZINC000128586712 442276369 /nfs/dbraw/zinc/27/63/69/442276369.db2.gz KJMQEPZRAIGZKC-NSHDSACASA-N 0 0 346.435 1.768 10 0 EDAERN CC[C@H](COC)NC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000129021213 442299009 /nfs/dbraw/zinc/29/90/09/442299009.db2.gz UXLSGVYBLWGOGT-OAHLLOKOSA-N 0 0 337.468 1.289 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000177136562 442303519 /nfs/dbraw/zinc/30/35/19/442303519.db2.gz BDNTTXIXZFIOLD-SECBINFHSA-N 0 0 342.754 1.829 10 0 EDAERN O=C(NCCCc1nc2ccccc2[nH]1)N[C@@H]1CCCn2ncnc21 ZINC000177320027 442328457 /nfs/dbraw/zinc/32/84/57/442328457.db2.gz GVLTUYWFNDCLLH-CQSZACIVSA-N 0 0 339.403 1.921 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CS(=O)(=O)CC(C)C)C2)no1 ZINC000171236699 442331949 /nfs/dbraw/zinc/33/19/49/442331949.db2.gz IRJIOCCASVBMRX-ZDUSSCGKSA-N 0 0 343.449 1.230 10 0 EDAERN COCCOCCNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177417572 442338855 /nfs/dbraw/zinc/33/88/55/442338855.db2.gz JUTYQWCMIYCQJJ-LBPRGKRZSA-N 0 0 326.397 1.703 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000129301491 442310938 /nfs/dbraw/zinc/31/09/38/442310938.db2.gz DOEYXVOQDHAGKC-GFCCVEGCSA-N 0 0 331.376 1.581 10 0 EDAERN COc1ccc(CCNC(=O)NC[C@H](C)N2CCOCC2)cc1F ZINC000171100143 442311942 /nfs/dbraw/zinc/31/19/42/442311942.db2.gz ZQQXDVGUVUUHEE-ZDUSSCGKSA-N 0 0 339.411 1.397 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2COc3c(cccc3OC)C2)C1 ZINC000171104537 442312615 /nfs/dbraw/zinc/31/26/15/442312615.db2.gz VCGHQFJXGKLCIM-HUUCEWRRSA-N 0 0 333.432 1.782 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)CC(C)(C)C ZINC000177650028 442367010 /nfs/dbraw/zinc/36/70/10/442367010.db2.gz HNOXHKJSNWBCMG-VXGBXAGGSA-N 0 0 339.440 1.356 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000177708863 442373231 /nfs/dbraw/zinc/37/32/31/442373231.db2.gz JKVWWORQNOYAMI-AWEZNQCLSA-N 0 0 337.387 1.491 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)COc3ccccc3F)CC2)no1 ZINC000171759409 442378258 /nfs/dbraw/zinc/37/82/58/442378258.db2.gz TWGDYGJWZFELII-UHFFFAOYSA-N 0 0 348.378 1.630 10 0 EDAERN O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177761423 442380748 /nfs/dbraw/zinc/38/07/48/442380748.db2.gz ZLNJANDPEOXZGW-MRXNPFEDSA-N 0 0 336.395 1.958 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1OC(F)F ZINC000155391575 442394633 /nfs/dbraw/zinc/39/46/33/442394633.db2.gz GYYPGLDXHGYTHU-NSHDSACASA-N 0 0 327.331 1.708 10 0 EDAERN C[C@H](NC(=O)NCC(=O)Nc1ccccc1)c1nnc2n1CCCC2 ZINC000177918120 442395519 /nfs/dbraw/zinc/39/55/19/442395519.db2.gz IBTHYQBIBARZDJ-LBPRGKRZSA-N 0 0 342.403 1.613 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(-c3cccnc3)on2)n1 ZINC000155419608 442397205 /nfs/dbraw/zinc/39/72/05/442397205.db2.gz HHMNRKMOBOQMGE-ZDUSSCGKSA-N 0 0 341.327 1.642 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](c3cc[nH]n3)C1)CC2 ZINC000172040628 442403230 /nfs/dbraw/zinc/40/32/30/442403230.db2.gz XEMMXEVKUKJTBT-CHWSQXEVSA-N 0 0 343.435 1.468 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(O)cc1)CC2 ZINC000172040382 442403353 /nfs/dbraw/zinc/40/33/53/442403353.db2.gz UJNXYEMLOKSISF-CYBMUJFWSA-N 0 0 329.404 1.703 10 0 EDAERN CCC1(CNC(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)CC1 ZINC000177578700 442359059 /nfs/dbraw/zinc/35/90/59/442359059.db2.gz VAPLXNAGHBCINA-ZDUSSCGKSA-N 0 0 332.452 1.977 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CCC[C@H](n3cncn3)C2)c1 ZINC000171619969 442362797 /nfs/dbraw/zinc/36/27/97/442362797.db2.gz MLJUSXCWUHZWON-INIZCTEOSA-N 0 0 343.431 1.630 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000177614425 442362887 /nfs/dbraw/zinc/36/28/87/442362887.db2.gz GPAKSIPLHJSJMN-DOMZBBRYSA-N 0 0 337.395 1.068 10 0 EDAERN Cc1ncc(CN2CCN(C[C@H](O)COCC(C)C)CC2)s1 ZINC000171623689 442363753 /nfs/dbraw/zinc/36/37/53/442363753.db2.gz SAAGITGQEXJMLU-HNNXBMFYSA-N 0 0 327.494 1.603 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c1 ZINC000172127559 442411771 /nfs/dbraw/zinc/41/17/71/442411771.db2.gz PDEFFCXLPGXRAT-MRXNPFEDSA-N 0 0 326.400 1.613 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)C(C)C ZINC000178418436 442431710 /nfs/dbraw/zinc/43/17/10/442431710.db2.gz ISXBGONAVJTPLO-CYBMUJFWSA-N 0 0 329.347 1.413 10 0 EDAERN Cc1ccc([C@H](CNC(=O)NCC[NH+](C)C)N2CCOCC2)s1 ZINC000133813663 442435071 /nfs/dbraw/zinc/43/50/71/442435071.db2.gz HBDNCXQXMYQLEX-AWEZNQCLSA-N 0 0 340.493 1.291 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc3c(c1)CCO3)CC2 ZINC000172292523 442436353 /nfs/dbraw/zinc/43/63/53/442436353.db2.gz JLEUTOFAIPEMKG-CYBMUJFWSA-N 0 0 327.388 1.912 10 0 EDAERN O=C(Nc1ccsc1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186265087 442499943 /nfs/dbraw/zinc/49/99/43/442499943.db2.gz VUIJQJZPNCZWNO-AAEUAGOBSA-N 0 0 336.438 1.983 10 0 EDAERN CCCCOc1ncccc1CNC(=O)N1CCC[C@@H]1C(=O)NC ZINC000156627285 442502901 /nfs/dbraw/zinc/50/29/01/442502901.db2.gz YZHHOETYHUUHNO-CQSZACIVSA-N 0 0 334.420 1.681 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(N(C)C)nc3)CCO2)cn1 ZINC000191785545 442510745 /nfs/dbraw/zinc/51/07/45/442510745.db2.gz VPYLHRFHUKMIDD-HNNXBMFYSA-N 0 0 329.404 1.578 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)C(C)C ZINC000178861737 442506906 /nfs/dbraw/zinc/50/69/06/442506906.db2.gz HMJNDRYDCSOKRC-IAGOWNOFSA-N 0 0 345.443 1.627 10 0 EDAERN Cc1ccc(C)n1-c1c(C(=O)N2CCCNC(=O)[C@@H]2C)cnn1C ZINC000191769077 442507996 /nfs/dbraw/zinc/50/79/96/442507996.db2.gz ANJPGGUFRBWONF-ZDUSSCGKSA-N 0 0 329.404 1.178 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000191552757 442463061 /nfs/dbraw/zinc/46/30/61/442463061.db2.gz CLCLWBRACYWESB-LBPRGKRZSA-N 0 0 334.420 1.679 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC000191584822 442471563 /nfs/dbraw/zinc/47/15/63/442471563.db2.gz SKZVGLCWDWQDTL-CQSZACIVSA-N 0 0 336.436 1.678 10 0 EDAERN O=C(NCc1nnc2n1CCCCC2)N1CCC(c2cc[nH]n2)CC1 ZINC000172521243 442479327 /nfs/dbraw/zinc/47/93/27/442479327.db2.gz MFGVNIAQRPVYOW-UHFFFAOYSA-N 0 0 343.435 1.817 10 0 EDAERN CC1(C)COCCN1CCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178770928 442480033 /nfs/dbraw/zinc/48/00/33/442480033.db2.gz DRGMHPSKBRRKLT-QAPCUYQASA-N 0 0 339.480 1.434 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCC(=O)N(C)CC)C12CCCC2 ZINC000186198398 442483645 /nfs/dbraw/zinc/48/36/45/442483645.db2.gz DDMCMNBTCUPURB-UONOGXRCSA-N 0 0 325.453 1.844 10 0 EDAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758729 442536364 /nfs/dbraw/zinc/53/63/64/442536364.db2.gz SVLLDTPZWWTIJX-MRXNPFEDSA-N 0 0 341.415 1.122 10 0 EDAERN O=C(CSC[C@H]1CCCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000172764590 442538217 /nfs/dbraw/zinc/53/82/17/442538217.db2.gz MCSHUSSQWGMJKA-LSDHHAIUSA-N 0 0 328.478 1.222 10 0 EDAERN O=C(C[C@@H]1OCCc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172764975 442538361 /nfs/dbraw/zinc/53/83/61/442538361.db2.gz UGSNARZOGYJTKY-AEFFLSMTSA-N 0 0 330.428 1.624 10 0 EDAERN Cn1cnc(-c2ccc(C(=O)N3CCC[C@H](n4cncn4)C3)cc2)n1 ZINC000180088303 442538820 /nfs/dbraw/zinc/53/88/20/442538820.db2.gz RRIMSWGUTBTCCM-HNNXBMFYSA-N 0 0 337.387 1.551 10 0 EDAERN O=C(CCCOc1cccc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767819 442539200 /nfs/dbraw/zinc/53/92/00/442539200.db2.gz HOBKSZNKICDYPL-MRXNPFEDSA-N 0 0 336.407 1.918 10 0 EDAERN Cc1c(CCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cnn1C ZINC000135024131 442548622 /nfs/dbraw/zinc/54/86/22/442548622.db2.gz HGKPNNCBRDBLDD-OAHLLOKOSA-N 0 0 328.420 1.236 10 0 EDAERN Cc1nnc([C@@H]2CN(CCC(=O)N(C)c3ccccc3)CCO2)[nH]1 ZINC000135105906 442557166 /nfs/dbraw/zinc/55/71/66/442557166.db2.gz XUTJRRWRPBPLHJ-HNNXBMFYSA-N 0 0 329.404 1.540 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CNC(=O)CCC(C)C)CCO2)cn1 ZINC000191787988 442511716 /nfs/dbraw/zinc/51/17/16/442511716.db2.gz WFSRHETUSMKNNQ-OAHLLOKOSA-N 0 0 336.436 1.355 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2cccc(Br)c2)C1 ZINC000134689741 442512713 /nfs/dbraw/zinc/51/27/13/442512713.db2.gz MWPUKALCOQSCGA-CYBMUJFWSA-N 0 0 327.222 1.900 10 0 EDAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000134727916 442516119 /nfs/dbraw/zinc/51/61/19/442516119.db2.gz MMSNNFIJNPFZDB-XJKSGUPXSA-N 0 0 327.428 1.904 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000186349879 442516941 /nfs/dbraw/zinc/51/69/41/442516941.db2.gz DIPXMDGFFWYRTA-INIZCTEOSA-N 0 0 347.390 1.809 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3CC(c4cccnc4)=NO3)C2)cn1 ZINC000191864789 442527700 /nfs/dbraw/zinc/52/77/00/442527700.db2.gz DFGOJOSGLBWILA-BBRMVZONSA-N 0 0 325.372 1.324 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CCCCc1c[nH]nn1)CC2 ZINC000186417127 442530715 /nfs/dbraw/zinc/53/07/15/442530715.db2.gz OCFRRNMLPQHFAP-ZDUSSCGKSA-N 0 0 331.424 1.364 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000180265928 442570007 /nfs/dbraw/zinc/57/00/07/442570007.db2.gz KGHZJPCYFRYWHA-INIZCTEOSA-N 0 0 327.384 1.373 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000180271686 442570861 /nfs/dbraw/zinc/57/08/61/442570861.db2.gz USAKJMUQTWRFPG-NSHDSACASA-N 0 0 333.171 1.085 10 0 EDAERN COc1ccc(CC[C@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000186620729 442574877 /nfs/dbraw/zinc/57/48/77/442574877.db2.gz XOVIHBKJXHXGAX-ZDUSSCGKSA-N 0 0 345.443 1.936 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135364549 442586572 /nfs/dbraw/zinc/58/65/72/442586572.db2.gz BKIDZLCBMOGGQG-LBPRGKRZSA-N 0 0 342.465 1.397 10 0 EDAERN CC1CCC(N(C)C(=O)CN2CCC([N@H+](C)CC(=O)[O-])CC2)CC1 ZINC000186673863 442588807 /nfs/dbraw/zinc/58/88/07/442588807.db2.gz XSAZTVJVQMAEMX-UHFFFAOYSA-N 0 0 339.480 1.504 10 0 EDAERN C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(F)cc1F ZINC000186757388 442606562 /nfs/dbraw/zinc/60/65/62/442606562.db2.gz SBCOCAVVTRENLU-MRVPVSSYSA-N 0 0 341.339 1.498 10 0 EDAERN Cc1noc([C@H](C)N2CCN([C@@H](C)c3nnnn3C3CC3)CC2)n1 ZINC000192004091 442562594 /nfs/dbraw/zinc/56/25/94/442562594.db2.gz VXMSFIMJWDUZNY-QWRGUYRKSA-N 0 0 332.412 1.139 10 0 EDAERN CCn1c(C)nnc1CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000172897327 442565241 /nfs/dbraw/zinc/56/52/41/442565241.db2.gz PZSUIQZOCMSDAU-UHFFFAOYSA-N 0 0 331.395 1.590 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)O1 ZINC000157273086 442566632 /nfs/dbraw/zinc/56/66/32/442566632.db2.gz XRTISQGRSRRVMV-IAQYHMDHSA-N 0 0 338.429 1.881 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1F ZINC000180647632 442642289 /nfs/dbraw/zinc/64/22/89/442642289.db2.gz VKGHOTCGWSFKBX-GFCCVEGCSA-N 0 0 331.351 1.528 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192406016 442645073 /nfs/dbraw/zinc/64/50/73/442645073.db2.gz IIYSHASKYSELLI-VXGBXAGGSA-N 0 0 337.803 1.959 10 0 EDAERN CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000180689899 442648516 /nfs/dbraw/zinc/64/85/16/442648516.db2.gz CUIMLMUNWCABCM-GJZGRUSLSA-N 0 0 333.436 1.112 10 0 EDAERN CC(C)N(CCc1nccs1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000158167003 442651433 /nfs/dbraw/zinc/65/14/33/442651433.db2.gz STLUMPYKWAMGCJ-CYBMUJFWSA-N 0 0 326.466 1.436 10 0 EDAERN COc1ccc(O)cc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000187071936 442651446 /nfs/dbraw/zinc/65/14/46/442651446.db2.gz GLSBEPLTLVXWCN-LBPRGKRZSA-N 0 0 328.372 1.590 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1-n1cnnn1 ZINC000180725268 442652592 /nfs/dbraw/zinc/65/25/92/442652592.db2.gz NRCHBQRJLWZOKG-BBRMVZONSA-N 0 0 343.387 1.455 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cnn3c2CCCC3)C12CCOCC2 ZINC000187126199 442654557 /nfs/dbraw/zinc/65/45/57/442654557.db2.gz YHYMRXMWYOVNEJ-HOTGVXAUSA-N 0 0 333.432 1.923 10 0 EDAERN CCCN(C(=O)N[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000180498647 442612335 /nfs/dbraw/zinc/61/23/35/442612335.db2.gz NDSZVRVHNMHKFF-OCCSQVGLSA-N 0 0 338.429 1.729 10 0 EDAERN CCC(C)(C)CNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000192202221 442612630 /nfs/dbraw/zinc/61/26/30/442612630.db2.gz NTBLOJMKZFZZQC-NSHDSACASA-N 0 0 337.445 1.666 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC000135625813 442620240 /nfs/dbraw/zinc/62/02/40/442620240.db2.gz MYQNZVCQOSBOOF-QWHCGFSZSA-N 0 0 326.404 1.405 10 0 EDAERN Cc1[nH]c(S(=O)(=O)Cc2nnnn2C(C)C)nc1-c1ccccc1 ZINC000186846045 442620630 /nfs/dbraw/zinc/62/06/30/442620630.db2.gz VOSUOHATEHLGNK-UHFFFAOYSA-N 0 0 346.416 1.926 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC000173201728 442622767 /nfs/dbraw/zinc/62/27/67/442622767.db2.gz DSUIARNZERIJNN-HOCLYGCPSA-N 0 0 341.415 1.685 10 0 EDAERN O=C(c1cnc2sccn2c1=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135682080 442624204 /nfs/dbraw/zinc/62/42/04/442624204.db2.gz TXHVVWQCEIAZCC-GFCCVEGCSA-N 0 0 342.380 1.445 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)C(F)(F)C1(O)CCC1 ZINC000179336620 442624776 /nfs/dbraw/zinc/62/47/76/442624776.db2.gz QKVTUESWQOPASO-NSHDSACASA-N 0 0 345.367 1.572 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)cc1F ZINC000192684189 442676307 /nfs/dbraw/zinc/67/63/07/442676307.db2.gz XEWGASHJMNZLGF-ZDUSSCGKSA-N 0 0 340.326 1.249 10 0 EDAERN CCCc1csc(NC(=O)C(=O)N2CCC[C@H](NC(C)=O)C2)n1 ZINC000192698249 442678077 /nfs/dbraw/zinc/67/80/77/442678077.db2.gz GVYWTZLTHSJCAC-NSHDSACASA-N 0 0 338.433 1.161 10 0 EDAERN O=C(CN1CCCCCC1=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187603315 442682194 /nfs/dbraw/zinc/68/21/94/442682194.db2.gz ASGMMMGKKDBBGC-CABCVRRESA-N 0 0 336.457 1.685 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1oc2ccc(F)cc2c1C ZINC000192909624 442697353 /nfs/dbraw/zinc/69/73/53/442697353.db2.gz FXZVTFTZOHMJHR-TZMCWYRMSA-N 0 0 334.347 1.478 10 0 EDAERN CC(C)c1csc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000193017051 442705816 /nfs/dbraw/zinc/70/58/16/442705816.db2.gz HVDIGRWPGJKJGA-JQWIXIFHSA-N 0 0 325.434 1.872 10 0 EDAERN CCc1nc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)sc1C ZINC000193017895 442705871 /nfs/dbraw/zinc/70/58/71/442705871.db2.gz IHXMPBUUFGSXRN-ZYHUDNBSSA-N 0 0 325.434 1.620 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCNS(C)(=O)=O)[C@H](C)C2 ZINC000180893358 442667468 /nfs/dbraw/zinc/66/74/68/442667468.db2.gz TZVHKAPGZWQMOI-BXUZGUMPSA-N 0 0 325.434 1.077 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCCn2ccc3ccccc32)C1 ZINC000188141889 442715716 /nfs/dbraw/zinc/71/57/16/442715716.db2.gz IAYMSJZIIFREDM-UHFFFAOYSA-N 0 0 344.415 1.188 10 0 EDAERN Cc1cc(CNS(=O)(=O)c2cccc(Cl)c2)nc(N(C)C)n1 ZINC000188279467 442732900 /nfs/dbraw/zinc/73/29/00/442732900.db2.gz ZKXRJTSRLZGEKG-UHFFFAOYSA-N 0 0 340.836 1.983 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O ZINC000193362468 442736138 /nfs/dbraw/zinc/73/61/38/442736138.db2.gz YUEDLRZEXFNWCJ-VQIMIIECSA-N 0 0 346.427 1.644 10 0 EDAERN CCCCOC[C@H](O)Cn1cnc2c(nnn2-c2ccccc2)c1=O ZINC000193376427 442737186 /nfs/dbraw/zinc/73/71/86/442737186.db2.gz ZJBHNWLCGNRQQU-CQSZACIVSA-N 0 0 343.387 1.155 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000193511615 442749526 /nfs/dbraw/zinc/74/95/26/442749526.db2.gz GIHOEMJIAIXILG-OAHLLOKOSA-N 0 0 332.404 1.521 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1OCCC(C)C ZINC000193063041 442709309 /nfs/dbraw/zinc/70/93/09/442709309.db2.gz MVYCPUBDWZSDMF-IAGOWNOFSA-N 0 0 348.443 1.709 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H](O)c1ccsc1)CC2 ZINC000181710944 442712097 /nfs/dbraw/zinc/71/20/97/442712097.db2.gz SERIEALRGVNXBX-CHWSQXEVSA-N 0 0 349.460 1.811 10 0 EDAERN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000193115010 442714843 /nfs/dbraw/zinc/71/48/43/442714843.db2.gz SYHCJTUOFQQBFH-MELADBBJSA-N 0 0 342.461 1.663 10 0 EDAERN COC[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000182579494 442789809 /nfs/dbraw/zinc/78/98/09/442789809.db2.gz VKFBWPOJOQUFCB-MFKMUULPSA-N 0 0 344.333 1.987 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)Cc1nnc(C)o1)c1ccc(Cl)cc1 ZINC000193871924 442802354 /nfs/dbraw/zinc/80/23/54/442802354.db2.gz UIGWWHGSBUCAFQ-AWEZNQCLSA-N 0 0 337.763 1.995 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc3cccnc32)C1 ZINC000193666081 442765893 /nfs/dbraw/zinc/76/58/93/442765893.db2.gz QSMIRQUOMMCABJ-CQSZACIVSA-N 0 0 340.383 1.300 10 0 EDAERN COC[C@@H](NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000188615728 442770260 /nfs/dbraw/zinc/77/02/60/442770260.db2.gz QHESYEXZFLGSRB-YNEHKIRRSA-N 0 0 330.400 1.875 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000188622085 442772233 /nfs/dbraw/zinc/77/22/33/442772233.db2.gz NSQCITPLBGPHRL-WQVCFCJDSA-N 0 0 344.415 1.358 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)N1CCOCC1 ZINC000246340204 442773833 /nfs/dbraw/zinc/77/38/33/442773833.db2.gz JAPVFLXJMKQCFF-OWCLPIDISA-N 0 0 341.496 1.848 10 0 EDAERN C[C@H](NC(=O)C(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000194023807 442831780 /nfs/dbraw/zinc/83/17/80/442831780.db2.gz LCTMAWNTCXXSAB-NSHDSACASA-N 0 0 332.381 1.394 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000188774557 442810030 /nfs/dbraw/zinc/81/00/30/442810030.db2.gz SIZPTLPGXXGTDN-UKRRQHHQSA-N 0 0 340.445 1.037 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(F)c(Cl)c1F ZINC000182706649 442810765 /nfs/dbraw/zinc/81/07/65/442810765.db2.gz ODXCINAKQGLMQL-SECBINFHSA-N 0 0 334.750 1.041 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)N3CCC[C@@H]3C)CCO2)n1 ZINC000193946887 442817085 /nfs/dbraw/zinc/81/70/85/442817085.db2.gz QUJUDWTUTNSXOZ-NWDGAFQWSA-N 0 0 331.463 1.554 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)ccc1C ZINC000246926161 442822498 /nfs/dbraw/zinc/82/24/98/442822498.db2.gz ZBWLAFOUVANHIV-KGLIPLIRSA-N 0 0 333.432 1.481 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000194255688 442867332 /nfs/dbraw/zinc/86/73/32/442867332.db2.gz UKTVFHLQCNROME-CYBMUJFWSA-N 0 0 335.433 1.740 10 0 EDAERN CNC(=O)C(C)(C)CNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194331801 442878703 /nfs/dbraw/zinc/87/87/03/442878703.db2.gz RNTZVOKYCCVTRL-NSHDSACASA-N 0 0 340.449 1.307 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(CCO)CC(F)F ZINC000194409062 442891609 /nfs/dbraw/zinc/89/16/09/442891609.db2.gz AYZKBTZYSRORNU-SWLSCSKDSA-N 0 0 342.386 1.917 10 0 EDAERN COCc1cc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)ncn1 ZINC000189182020 442893165 /nfs/dbraw/zinc/89/31/65/442893165.db2.gz LYYQVZTYOKHADO-JSGCOSHPSA-N 0 0 348.428 1.924 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N1CC[C@@H]([C@@H](C)O)C1)C(C)C ZINC000183166357 442894452 /nfs/dbraw/zinc/89/44/52/442894452.db2.gz QRHIPHAOHVDODP-CPUCHLNUSA-N 0 0 348.443 1.679 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCCSCC(C)C)CC1 ZINC000182051312 318496596 /nfs/dbraw/zinc/49/65/96/318496596.db2.gz VXCVWBMMVAWHJN-OAHLLOKOSA-N 0 0 331.526 1.864 10 0 EDAERN Cc1cc(C)cc(OCCN(C)C(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189306758 442917015 /nfs/dbraw/zinc/91/70/15/442917015.db2.gz HFIDINNMHHRCRK-MRXNPFEDSA-N 0 0 347.459 1.351 10 0 EDAERN CN1CCO[C@H](CNC(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000194630489 442927933 /nfs/dbraw/zinc/92/79/33/442927933.db2.gz LPHWGGZBSBGFKM-LLVKDONJSA-N 0 0 349.378 1.639 10 0 EDAERN CCOC(C)(C)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000189361911 442929671 /nfs/dbraw/zinc/92/96/71/442929671.db2.gz BLFMCUASXHTWAR-NSHDSACASA-N 0 0 325.413 1.374 10 0 EDAERN CCc1nnc(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)n1C ZINC000194690559 442937337 /nfs/dbraw/zinc/93/73/37/442937337.db2.gz XKHFOKNMVXUGRV-LLVKDONJSA-N 0 0 341.371 1.430 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000194733744 442945174 /nfs/dbraw/zinc/94/51/74/442945174.db2.gz BDYGGBUEVDUZER-VIFPVBQESA-N 0 0 339.244 1.602 10 0 EDAERN C[C@@H](NC(=O)c1ccccc1-n1ccnn1)c1nnc2n1CCCC2 ZINC000183608641 442945438 /nfs/dbraw/zinc/94/54/38/442945438.db2.gz XVVHNWJTGBDVGS-GFCCVEGCSA-N 0 0 337.387 1.686 10 0 EDAERN C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000194738803 442946136 /nfs/dbraw/zinc/94/61/36/442946136.db2.gz CGTCZTRYUBPRBB-LLVKDONJSA-N 0 0 349.412 1.672 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183613260 442946514 /nfs/dbraw/zinc/94/65/14/442946514.db2.gz NMAYRZPTCQLLEA-CABCVRRESA-N 0 0 346.493 1.246 10 0 EDAERN O=C(NCc1ccccc1)c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194824564 442958677 /nfs/dbraw/zinc/95/86/77/442958677.db2.gz ABSMTVYTYPFMEF-OAHLLOKOSA-N 0 0 337.379 1.691 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)ccc1C ZINC000183762764 442961132 /nfs/dbraw/zinc/96/11/32/442961132.db2.gz NEGABNAEQJENFN-OAHLLOKOSA-N 0 0 344.371 1.859 10 0 EDAERN Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CNC(=O)C3)s2)cs1 ZINC000194862071 442962205 /nfs/dbraw/zinc/96/22/05/442962205.db2.gz MBTXXXGEHDYQQO-JTQLQIEISA-N 0 0 335.454 1.975 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000183908998 442974421 /nfs/dbraw/zinc/97/44/21/442974421.db2.gz BMJIZOOLXCNCSY-UHFFFAOYSA-N 0 0 326.466 1.572 10 0 EDAERN Cc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)nn1-c1ccc(C)cc1 ZINC000189437590 442952524 /nfs/dbraw/zinc/95/25/24/442952524.db2.gz PCPSVBXWLFSQSK-UHFFFAOYSA-N 0 0 338.411 1.840 10 0 EDAERN Cc1csc([C@@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)n1 ZINC000249887149 443008264 /nfs/dbraw/zinc/00/82/64/443008264.db2.gz PMBWUNNLYINIOE-HIFRSBDPSA-N 0 0 338.429 1.996 10 0 EDAERN O=C(NCc1nccc(N2CCOCC2)n1)c1c(F)cccc1F ZINC000224168952 443096896 /nfs/dbraw/zinc/09/68/96/443096896.db2.gz UJPDOPOFYBOEBM-UHFFFAOYSA-N 0 0 334.326 1.521 10 0 EDAERN O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccc(F)cc1 ZINC000224218948 443096966 /nfs/dbraw/zinc/09/69/66/443096966.db2.gz FFQHHKMHYOCQDF-UHFFFAOYSA-N 0 0 331.351 1.774 10 0 EDAERN CC(C)Oc1ccccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190380536 443097536 /nfs/dbraw/zinc/09/75/36/443097536.db2.gz MHISWAMTTYFJKR-UHFFFAOYSA-N 0 0 331.416 1.894 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCCCn2ccnc2)C12CCOCC2 ZINC000184708605 443063905 /nfs/dbraw/zinc/06/39/05/443063905.db2.gz RZTJBBFJXNFUSV-CABCVRRESA-N 0 0 336.436 1.547 10 0 EDAERN CC1(Cn2cc(C(=O)N3CC[C@@H](Oc4cccnc4)C3)nn2)COC1 ZINC000185137681 443146098 /nfs/dbraw/zinc/14/60/98/443146098.db2.gz ZETASGXCHTYYKJ-CQSZACIVSA-N 0 0 343.387 1.003 10 0 EDAERN CCn1ccc(C(=O)N2CCC(N3CC(F)(F)C[C@H]3CO)CC2)n1 ZINC000257175963 443116565 /nfs/dbraw/zinc/11/65/65/443116565.db2.gz ACUAATVABVBPDC-ZDUSSCGKSA-N 0 0 342.390 1.210 10 0 EDAERN CO[C@H](C)[C@H](C)NC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000190711994 443168675 /nfs/dbraw/zinc/16/86/75/443168675.db2.gz PCFHBMCIEMNRQB-SDDRHHMPSA-N 0 0 325.413 1.190 10 0 EDAERN COCC(=O)NC1CN(C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000185260114 443171829 /nfs/dbraw/zinc/17/18/29/443171829.db2.gz OAPANTMETBVYIS-UHFFFAOYSA-N 0 0 342.848 1.547 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ncccc1C ZINC000185179011 443155173 /nfs/dbraw/zinc/15/51/73/443155173.db2.gz YSZKJCLUMCDLDX-HSBSLETESA-N 0 0 327.388 1.792 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000190667789 443160264 /nfs/dbraw/zinc/16/02/64/443160264.db2.gz GODCBXDRQVIELN-QMMMGPOBSA-N 0 0 327.743 1.155 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CC[C@H](O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000245507433 443233086 /nfs/dbraw/zinc/23/30/86/443233086.db2.gz IBJLHZIABAKOSS-UBHSHLNASA-N 0 0 340.445 1.754 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCC(C)(CO)CC2)C12CCOCC2 ZINC000185698600 443240879 /nfs/dbraw/zinc/24/08/79/443240879.db2.gz STDXWUSSUNLTJB-HUUCEWRRSA-N 0 0 340.464 1.765 10 0 EDAERN C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000384908391 319127570 /nfs/dbraw/zinc/12/75/70/319127570.db2.gz YAXOVPPJRWNRJX-CABZTGNLSA-N 0 0 334.235 1.983 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)nn1 ZINC000191335547 443280379 /nfs/dbraw/zinc/28/03/79/443280379.db2.gz YIWPISRANPIZIT-GOSISDBHSA-N 0 0 343.475 1.884 10 0 EDAERN COc1ccccc1COC[C@@H](O)CN1CC(NC(=O)C2CCC2)C1 ZINC000185935439 443287082 /nfs/dbraw/zinc/28/70/82/443287082.db2.gz LSGCXVDATIBZGJ-KRWDZBQOSA-N 0 0 348.443 1.173 10 0 EDAERN COCCN1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1=O ZINC000191396083 443290269 /nfs/dbraw/zinc/29/02/69/443290269.db2.gz AUHYBJDYJZVPBB-MDWZMJQESA-N 0 0 338.429 1.168 10 0 EDAERN Cc1nc(C)c(C(=O)N2CCN(C)[C@H](c3noc(C4CC4)n3)C2)o1 ZINC000299746377 444133729 /nfs/dbraw/zinc/13/37/29/444133729.db2.gz WZLXURUFWULPJD-LBPRGKRZSA-N 0 0 331.376 1.681 10 0 EDAERN CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)C2=CCCC2)CC1 ZINC000328648974 444413846 /nfs/dbraw/zinc/41/38/46/444413846.db2.gz UVDDYECDVISERH-OAHLLOKOSA-N 0 0 329.448 1.982 10 0 EDAERN CC(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1)=C1CCCC1 ZINC000328654701 444416503 /nfs/dbraw/zinc/41/65/03/444416503.db2.gz XRNYSHXSYSANMJ-GFCCVEGCSA-N 0 0 327.406 1.750 10 0 EDAERN Cc1nnc([C@H]2COCCN2C(=O)Nc2cc(C(C)(C)C)on2)o1 ZINC000328623092 444398670 /nfs/dbraw/zinc/39/86/70/444398670.db2.gz IVRHLJUCOVYOAB-SNVBAGLBSA-N 0 0 335.364 2.269 10 0 EDAERN Cc1ccc(O[C@H]2CCN(S(=O)(=O)CC[C@H]3CCCO3)C2)cn1 ZINC000328629881 444402374 /nfs/dbraw/zinc/40/23/74/444402374.db2.gz PGKZEYQQRYCRBI-ZBFHGGJFSA-N 0 0 340.445 1.742 10 0 EDAERN Cn1cc(Br)c(CNC[C@H](O)COCc2ccco2)n1 ZINC000393354674 447528874 /nfs/dbraw/zinc/52/88/74/447528874.db2.gz KVYFEKDZTJAKFL-JTQLQIEISA-N 0 0 344.209 1.443 10 0 EDAERN C[C@H]1CC[C@@H](O)CN1S(=O)(=O)CCCOCc1ccccc1 ZINC000399242701 447564066 /nfs/dbraw/zinc/56/40/66/447564066.db2.gz HKZAESGGZOCHIL-GOEBONIOSA-N 0 0 327.446 1.768 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(C)c1 ZINC000583616475 448442915 /nfs/dbraw/zinc/44/29/15/448442915.db2.gz ZTTXZKKQUWWPGG-BZUAXINKSA-N 0 0 339.457 1.854 10 0 EDAERN CC(C)n1cc([C@]2(O)CCCN(Cc3ncc(Cl)n3C)C2)nn1 ZINC000583617368 448443310 /nfs/dbraw/zinc/44/33/10/448443310.db2.gz BKCKCKRHKWCFKR-HNNXBMFYSA-N 0 0 338.843 1.730 10 0 EDAERN Cc1n[nH]nc1C(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 ZINC000583617382 448443749 /nfs/dbraw/zinc/44/37/49/448443749.db2.gz DOBAZHVFCSUTCQ-CQSZACIVSA-N 0 0 330.388 1.812 10 0 EDAERN Cn1nnc2ccc(C(=O)N[C@@H]3CC[C@H](C(F)(F)F)N(C)C3)cc21 ZINC000583618075 448447383 /nfs/dbraw/zinc/44/73/83/448447383.db2.gz ABDKWWIRHAPBPU-ZWNOBZJWSA-N 0 0 341.337 1.723 10 0 EDAERN O=C(c1ccncc1C(F)(F)F)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618946 448448777 /nfs/dbraw/zinc/44/87/77/448448777.db2.gz LIPKPEPNEXGZHN-ZDUSSCGKSA-N 0 0 341.293 1.342 10 0 EDAERN COCCN(C)c1cnn([C@@H]2CCCN(C(=O)C(C)C)C2)c(=O)c1 ZINC000583620166 448451018 /nfs/dbraw/zinc/45/10/18/448451018.db2.gz KRSXFWMRDIFDCG-CQSZACIVSA-N 0 0 336.436 1.145 10 0 EDAERN CO[C@]1(C)C[C@@H](NC(=O)N2CCO[C@H](c3nncn3C)C2)C1(C)C ZINC000583623561 448454745 /nfs/dbraw/zinc/45/47/45/448454745.db2.gz KSXFNOMCEIGNOC-HWWQOWPSSA-N 0 0 337.424 1.102 10 0 EDAERN CCOC(=O)c1cccc(-c2cnc3ccc(NCCCO)nn32)c1 ZINC000584656489 448590550 /nfs/dbraw/zinc/59/05/50/448590550.db2.gz JLSRTNBGUBFEHY-UHFFFAOYSA-N 0 0 340.383 2.367 10 0 EDAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccc(Cl)c(F)c1Cl ZINC000625595187 450442577 /nfs/dbraw/zinc/44/25/77/450442577.db2.gz WZUJFYFZRJLUBL-JGVFFNPUSA-N 0 0 344.191 1.561 10 0 EDAERN CCS[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000616582551 450453896 /nfs/dbraw/zinc/45/38/96/450453896.db2.gz BSQTXTAGEJNXTK-BFHVLBAGSA-N 0 0 334.390 1.279 10 0 EDAERN NS(=O)(=O)N1c2ccccc2CC[C@@H]1c1ccc(CCO)cc1 ZINC000616596413 450454451 /nfs/dbraw/zinc/45/44/51/450454451.db2.gz YXAZSNZGMQPKPW-QGZVFWFLSA-N 0 0 332.425 1.919 10 0 EDAERN O=C1N[C@H]2C=CC(Br)=C[C@H]2[C@]12NC(=O)c1ccccc1N2 ZINC000616593388 450454738 /nfs/dbraw/zinc/45/47/38/450454738.db2.gz VPRHSTWLWOOMOP-GMXABZIVSA-N 0 0 346.184 1.501 10 0 EDAERN O[C@H]1[C@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@H]1Oc1ccccc1 ZINC000616626215 450456523 /nfs/dbraw/zinc/45/65/23/450456523.db2.gz VEVONSHXUHYXKX-LOXVXLSQSA-N 0 0 344.363 1.626 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616647072 450457515 /nfs/dbraw/zinc/45/75/15/450457515.db2.gz AAHGZDQWVBRZFY-HNNXBMFYSA-N 0 0 349.431 1.684 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2cccnc2N)C1 ZINC000616655434 450457644 /nfs/dbraw/zinc/45/76/44/450457644.db2.gz YYGKQCKGWQIZMF-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2cnnc3ccccc32)Nc2ccccc21 ZINC000616690158 450460438 /nfs/dbraw/zinc/46/04/38/450460438.db2.gz CVHIYBPYMKHPCL-OAHLLOKOSA-N 0 0 341.396 1.807 10 0 EDAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccnn1CCc1ccccc1 ZINC000622005122 450982666 /nfs/dbraw/zinc/98/26/66/450982666.db2.gz YTYZVTBKIKHWPD-DZGCQCFKSA-N 0 0 326.400 1.523 10 0 EDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CCC(=O)[O-] ZINC000635519907 451017405 /nfs/dbraw/zinc/01/74/05/451017405.db2.gz BYBUHRHJQWNENY-GOEBONIOSA-N 0 0 333.432 1.871 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000643719700 452523768 /nfs/dbraw/zinc/52/37/68/452523768.db2.gz HHQSETLLYXDTPO-OCCSQVGLSA-N 0 0 349.412 1.495 10 0 EDAERN CN(C)c1ccc([C@@H]2CCCN2C(=O)COCc2ccnn2C)nn1 ZINC000643887517 452794856 /nfs/dbraw/zinc/79/48/56/452794856.db2.gz RWDKFBYOROVRAF-HNNXBMFYSA-N 0 0 344.419 1.156 10 0 EDAERN CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCC(O)CC2)CC1 ZINC000199942788 486818005 /nfs/dbraw/zinc/81/80/05/486818005.db2.gz HBZYPKGKQCXHHS-UHFFFAOYSA-N 0 0 327.425 1.552 10 0 EDAERN Cc1ccc(Cl)cc1-n1nc(C(N)=O)cc1-c1ccnc(N)n1 ZINC000203778467 485712685 /nfs/dbraw/zinc/71/26/85/485712685.db2.gz HOURAQDXNPRUJS-UHFFFAOYSA-N 0 0 328.763 1.972 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCS1(=O)=O ZINC000247072177 486290188 /nfs/dbraw/zinc/29/01/88/486290188.db2.gz MSURGGUQROTMQS-BMFZPTHFSA-N 0 0 337.441 1.800 10 0 EDAERN Cc1ccccc1-c1cnc(CN2CC[C@](O)(Cn3ccnn3)C2)o1 ZINC000671551435 486649512 /nfs/dbraw/zinc/64/95/12/486649512.db2.gz AGJPGIDNZAXTLQ-GOSISDBHSA-N 0 0 339.399 1.879 10 0 EDAERN Cc1cccc2nnc(N3CCC(C(=O)N4CCOCC4)CC3)n21 ZINC000065312466 490997335 /nfs/dbraw/zinc/99/73/35/490997335.db2.gz NPAKKGWMMCZNAV-UHFFFAOYSA-N 0 0 329.404 1.113 10 0 EDAERN C[C@@H]1C[C@H](C)CN1CCS(=O)(=O)c1cccc(C(N)=S)c1 ZINC000164365097 533805033 /nfs/dbraw/zinc/80/50/33/533805033.db2.gz GYXCYJNHUSGUOR-NWDGAFQWSA-N 0 0 326.487 1.825 10 0 EDAERN COC(=O)c1cccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)c1 ZINC000171704542 534270878 /nfs/dbraw/zinc/27/08/78/534270878.db2.gz VNGJDHIOXNGHDT-HNNXBMFYSA-N 0 0 343.387 1.340 10 0 EDAERN COC(=O)c1ccccc1NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171616150 534292357 /nfs/dbraw/zinc/29/23/57/534292357.db2.gz QOCLRDQREUWZKH-ZDUSSCGKSA-N 0 0 343.387 1.340 10 0 EDAERN O=C(CCCNC(=O)c1ccccc1)N1CCC[C@H](n2cncn2)C1 ZINC000170896604 534351908 /nfs/dbraw/zinc/35/19/08/534351908.db2.gz VZUCCIRZCMCTLY-INIZCTEOSA-N 0 0 341.415 1.652 10 0 EDAERN O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CCCC[C@H]1CO ZINC000151116916 534395818 /nfs/dbraw/zinc/39/58/18/534395818.db2.gz WEGJMMMIZNUELJ-KBPBESRZSA-N 0 0 332.400 1.469 10 0 EDAERN NC(=S)c1ccc(Cl)c(NC(=O)[C@@H]2CCCCS2(=O)=O)c1 ZINC000168488157 534529838 /nfs/dbraw/zinc/52/98/38/534529838.db2.gz SIMMKMZSSRQAQZ-NSHDSACASA-N 0 0 346.861 1.880 10 0 EDAERN O=C(Cc1ccc2c(c1)CCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883359 534707749 /nfs/dbraw/zinc/70/77/49/534707749.db2.gz IBMVUXYNHUJUIB-GOSISDBHSA-N 0 0 325.412 1.842 10 0 EDAERN O=C(Cc1nc2ncccn2n1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178240543 534752341 /nfs/dbraw/zinc/75/23/41/534752341.db2.gz VCNPGKVTQOPGMR-LBPRGKRZSA-N 0 0 349.316 1.957 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CSc2nc[nH]n2)C1 ZINC000253563379 534817784 /nfs/dbraw/zinc/81/77/84/534817784.db2.gz FJYOOFPSVHUIIO-SNVBAGLBSA-N 0 0 341.437 1.413 10 0 EDAERN Brc1cncc(CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000171607090 526650532 /nfs/dbraw/zinc/65/05/32/526650532.db2.gz IDHPXXSVZGNQEI-AWEZNQCLSA-N 0 0 337.221 1.942 10 0 EDAERN CC(=O)Nc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000190114676 526975051 /nfs/dbraw/zinc/97/50/51/526975051.db2.gz BQOOEAMETNDWLJ-UHFFFAOYSA-N 0 0 330.388 1.065 10 0 EDAERN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000173732287 527388392 /nfs/dbraw/zinc/38/83/92/527388392.db2.gz KKJKGPRRYBCVJK-HNNXBMFYSA-N 0 0 333.413 1.939 10 0 EDAERN CCOC(=O)[C@H](NC=O)[C@H](O)c1ccc(C)cc1Br ZINC000164341412 528037842 /nfs/dbraw/zinc/03/78/42/528037842.db2.gz UXMKSBTWEORGOY-VXGBXAGGSA-N 0 0 330.178 1.469 10 0 EDAERN CC(C)CO[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 ZINC000154278623 528127050 /nfs/dbraw/zinc/12/70/50/528127050.db2.gz LBPNJNVXAMKPTQ-CVEARBPZSA-N 0 0 333.432 1.540 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177356425 528242269 /nfs/dbraw/zinc/24/22/69/528242269.db2.gz JBKVRRZOYCZSEQ-CQSZACIVSA-N 0 0 342.403 1.362 10 0 EDAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cn1 ZINC000177554908 528310258 /nfs/dbraw/zinc/31/02/58/528310258.db2.gz NFDPENLXEHEFPY-UKRRQHHQSA-N 0 0 348.447 1.534 10 0 EDAERN CCN(CCCO)S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000166012150 528469445 /nfs/dbraw/zinc/46/94/45/528469445.db2.gz DNRNVWWCKFXHSD-UHFFFAOYSA-N 0 0 327.233 1.969 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)COc1ccccc1C=O)CC2 ZINC000170775025 528473602 /nfs/dbraw/zinc/47/36/02/528473602.db2.gz SFPSMFZADVHSMT-AWEZNQCLSA-N 0 0 342.399 1.724 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1cccnc1-n1ccnc1 ZINC000184235711 528476668 /nfs/dbraw/zinc/47/66/68/528476668.db2.gz ODWSNEJPBLKQDU-MRXNPFEDSA-N 0 0 343.431 1.384 10 0 EDAERN CC(C)[C@@H](O)CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000157283232 528617474 /nfs/dbraw/zinc/61/74/74/528617474.db2.gz FOBWFHFDLYTIGY-INIZCTEOSA-N 0 0 333.432 1.420 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000176568951 528703812 /nfs/dbraw/zinc/70/38/12/528703812.db2.gz AMSQCPOWMRKBES-FJJPMZIPSA-N 0 0 341.481 1.586 10 0 EDAERN CC(C)[C@@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168905310 528813631 /nfs/dbraw/zinc/81/36/31/528813631.db2.gz ZOOYQANZDDIPMR-LBPRGKRZSA-N 0 0 326.194 1.327 10 0 EDAERN CC(C)NC(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179449434 529124302 /nfs/dbraw/zinc/12/43/02/529124302.db2.gz WWQIIZUYISVKOQ-YOEHRIQHSA-N 0 0 349.406 1.376 10 0 EDAERN CC[C@@H](O)CCNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177837642 529222355 /nfs/dbraw/zinc/22/23/55/529222355.db2.gz HNDLFICMGQRIDN-DGCLKSJQSA-N 0 0 328.434 1.611 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C[C@@H]1CCOC1)C1CC1)CC2 ZINC000181734863 535026765 /nfs/dbraw/zinc/02/67/65/535026765.db2.gz FSJMVXPTYYXLMK-UONOGXRCSA-N 0 0 347.463 1.927 10 0 EDAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)N[C@@H]1CCCn3ncnc31)O2 ZINC000180760719 535267762 /nfs/dbraw/zinc/26/77/62/535267762.db2.gz HCJPXPGCXBNBOO-YXXKGXSTSA-N 0 0 349.435 1.734 10 0 EDAERN CC(C)[C@H]1N(C(=O)NCCN2CCOCC2(C)C)C[C@]12CCCO2 ZINC000333790720 535273466 /nfs/dbraw/zinc/27/34/66/535273466.db2.gz XNKKMZITUAFISS-CRAIPNDOSA-N 0 0 339.480 1.696 10 0 EDAERN CC1CCN(c2ccc(C(=O)N3CCCNC(=O)[C@@H]3C)cn2)CC1 ZINC000188102258 535283905 /nfs/dbraw/zinc/28/39/05/535283905.db2.gz APYIPCGTIBNCBZ-AWEZNQCLSA-N 0 0 330.432 1.669 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(C)nn2C)C12CCCC2 ZINC000119089107 535449992 /nfs/dbraw/zinc/44/99/92/535449992.db2.gz LUMOREZNNPDINP-UONOGXRCSA-N 0 0 348.447 1.863 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@H](C)C(F)(F)F)C1 ZINC000263348860 535778522 /nfs/dbraw/zinc/77/85/22/535778522.db2.gz HHAFNFZUBLENBA-XNWIYYODSA-N 0 0 325.331 1.422 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)N(C)C ZINC000072781122 535865106 /nfs/dbraw/zinc/86/51/06/535865106.db2.gz KBMXBVXTPYCVGT-XJKSGUPXSA-N 0 0 333.432 1.378 10 0 EDAERN CCc1noc(CC)c1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000125686955 535893459 /nfs/dbraw/zinc/89/34/59/535893459.db2.gz SZVHEFCHVQRNAT-ZDUSSCGKSA-N 0 0 336.436 1.416 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccccc1OC)CC2 ZINC000114875316 536164121 /nfs/dbraw/zinc/16/41/21/536164121.db2.gz MFFKOEWXFQMXRO-CYBMUJFWSA-N 0 0 329.404 1.663 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C[C@H](O)c1ccco1)CC2 ZINC000153612314 536164151 /nfs/dbraw/zinc/16/41/51/536164151.db2.gz ASXXLCXKOAMLIB-XQQFMLRXSA-N 0 0 347.419 1.560 10 0 EDAERN CNC(=O)[C@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)C(C)C ZINC000178862231 536378509 /nfs/dbraw/zinc/37/85/09/536378509.db2.gz FIJRJAZOLHSAKD-OAHLLOKOSA-N 0 0 336.407 1.761 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(OC(F)F)c(OC)c1)C(C)C ZINC000178724979 536380972 /nfs/dbraw/zinc/38/09/72/536380972.db2.gz JULRGQWIAKCNDY-GFCCVEGCSA-N 0 0 330.331 1.797 10 0 EDAERN COC(=O)N1CC(NC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)C1 ZINC000178751183 536401457 /nfs/dbraw/zinc/40/14/57/536401457.db2.gz PFPXKLGQCJZBPK-LLVKDONJSA-N 0 0 338.433 1.791 10 0 EDAERN COC(=O)[C@@H](c1ccccc1F)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000245452206 536459867 /nfs/dbraw/zinc/45/98/67/536459867.db2.gz QDVIGFZXSOGCJI-WMLDXEAASA-N 0 0 347.390 1.946 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)Oc2ccccc2)C[C@H]1C ZINC000246993418 536868769 /nfs/dbraw/zinc/86/87/69/536868769.db2.gz GGZIQYJARXOGLV-CVEARBPZSA-N 0 0 335.448 1.816 10 0 EDAERN COc1ccccc1C/C(C)=C/C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189445168 537006266 /nfs/dbraw/zinc/00/62/66/537006266.db2.gz PVPKUROUXVPVSO-JLHYYAGUSA-N 0 0 328.412 1.921 10 0 EDAERN COc1cc2c(c3oc(=O)c4c(c13)[C@H](O)CC4=O)[C@H]1C=CO[C@H]1O2 ZINC000014442544 574413417 /nfs/dbraw/zinc/41/34/17/574413417.db2.gz GYNOTJLCULOEIM-TXLFOSJXSA-N 0 0 328.276 1.767 10 0 endogenous,in-man EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000888077642 590933964 /nfs/dbraw/zinc/93/39/64/590933964.db2.gz NCIPBIXRAIJYFY-GDBMZVCRSA-N 0 0 346.406 1.935 10 0 EDAERN CO[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1c1cn(C)nn1 ZINC000888078198 590934839 /nfs/dbraw/zinc/93/48/39/590934839.db2.gz XJZNNMWOEISMEK-WCQYABFASA-N 0 0 332.408 1.090 10 0 EDAERN CC1(C)NC(=O)CC[C@H]1NC(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC000888093083 591022698 /nfs/dbraw/zinc/02/26/98/591022698.db2.gz LMPVEFWEDYSBHE-CYBMUJFWSA-N 0 0 327.388 1.183 10 0 EDAERN Cc1nnc([C@H]2OCC[C@H]2CNS(=O)(=O)c2ccccc2C)[nH]1 ZINC000888094156 591023783 /nfs/dbraw/zinc/02/37/83/591023783.db2.gz APOYYUKBGFSQRC-JSGCOSHPSA-N 0 0 336.417 1.478 10 0 EDAERN CCn1cnc2c1ncnc2N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888094803 591024572 /nfs/dbraw/zinc/02/45/72/591024572.db2.gz CYIIKBALXJNCKQ-GVXVVHGQSA-N 0 0 330.392 1.084 10 0 EDAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899073832 591673253 /nfs/dbraw/zinc/67/32/53/591673253.db2.gz ATMRNVLUWKWXIQ-IUODEOHRSA-N 0 0 345.447 1.624 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCCCNC(C)=O ZINC000103702073 593124832 /nfs/dbraw/zinc/12/48/32/593124832.db2.gz XCJCSZQPJVTCPT-CZUORRHYSA-N 0 0 334.416 1.901 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)C1 ZINC000101538884 595166491 /nfs/dbraw/zinc/16/64/91/595166491.db2.gz SWCZLQSBJJIPBE-KBPBESRZSA-N 0 0 338.452 1.291 10 0 EDAERN O=C(Cn1ccc(=O)c2ccccc21)OCCN1CCCCC1=O ZINC000107025328 595463236 /nfs/dbraw/zinc/46/32/36/595463236.db2.gz UNVYMFIJBNBVPX-UHFFFAOYSA-N 0 0 328.368 1.557 10 0 EDAERN COCCN1CCN(CC(=O)Nc2cccnc2Cl)C[C@H]1C ZINC000105832424 595468708 /nfs/dbraw/zinc/46/87/08/595468708.db2.gz KGYDQNDMMIYYAF-GFCCVEGCSA-N 0 0 326.828 1.326 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000117927524 595872781 /nfs/dbraw/zinc/87/27/81/595872781.db2.gz SWLYNRHMKQUCOH-UHFFFAOYSA-N 0 0 333.369 1.276 10 0 EDAERN CN(CCS(C)(=O)=O)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000112478186 596150137 /nfs/dbraw/zinc/15/01/37/596150137.db2.gz DMDSPDFFMLHJOT-GFCCVEGCSA-N 0 0 325.352 1.715 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000136173131 596193618 /nfs/dbraw/zinc/19/36/18/596193618.db2.gz ZTUUWLWBDISKOX-MRXNPFEDSA-N 0 0 334.441 1.856 10 0 EDAERN CN(C)c1nc([C@@H]2CCN(C(=O)CCc3cccnc3)C2)cc(=O)[nH]1 ZINC000864843354 596384874 /nfs/dbraw/zinc/38/48/74/596384874.db2.gz QNMSJKSJXSTWTQ-CQSZACIVSA-N 0 0 341.415 1.592 10 0 EDAERN CCCn1c(CO)nn(CN2CC[C@@H](c3cnn(C)c3)C2)c1=S ZINC000120491505 596542983 /nfs/dbraw/zinc/54/29/83/596542983.db2.gz YRPPDNVXOGNYDJ-GFCCVEGCSA-N 0 0 336.465 1.497 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(Cn1nc(CO)n(C)c1=S)C2 ZINC000120510948 596548669 /nfs/dbraw/zinc/54/86/69/596548669.db2.gz LZDBRATYFGWYCP-UHFFFAOYSA-N 0 0 336.465 1.316 10 0 EDAERN C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccc(Cl)s1 ZINC000126528685 597519540 /nfs/dbraw/zinc/51/95/40/597519540.db2.gz AGTQUSAUUDZAQW-RKDXNWHRSA-N 0 0 336.866 1.355 10 0 EDAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC[C@H]1c1ccsc1 ZINC000126588881 597534452 /nfs/dbraw/zinc/53/44/52/597534452.db2.gz RFNJDIRKZRXGGA-STQMWFEESA-N 0 0 328.459 1.188 10 0 EDAERN NC(=O)c1ccc(=O)n(C[C@H](O)c2ccc(C(F)(F)F)cc2)n1 ZINC000131274818 597690716 /nfs/dbraw/zinc/69/07/16/597690716.db2.gz ZGLTXWDPSKSQLP-NSHDSACASA-N 0 0 327.262 1.095 10 0 EDAERN CS(=O)(=O)NCCC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174859792 697133073 /nfs/dbraw/zinc/13/30/73/697133073.db2.gz JDFIZGRFJITHRA-GJZGRUSLSA-N 0 0 340.445 1.040 10 0 EDAERN CCn1cc(C2CCN(CN3C[C@@H](C(=O)OC)CC3=O)CC2)cn1 ZINC000181375738 699526616 /nfs/dbraw/zinc/52/66/16/699526616.db2.gz KTFIWJSBECTEEI-AWEZNQCLSA-N 0 0 334.420 1.061 10 0 EDAERN C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC000182665979 700962614 /nfs/dbraw/zinc/96/26/14/700962614.db2.gz VXBWUSHJCFDOIX-UTUOFQBUSA-N 0 0 330.450 1.031 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)C[C@](C)(O)c2ccccc2)n1C ZINC000182710358 700988297 /nfs/dbraw/zinc/98/82/97/700988297.db2.gz HGZJUERFEQGBMQ-INIZCTEOSA-N 0 0 337.445 1.761 10 0 EDAERN CO[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(C(N)=S)cc1 ZINC000050375053 214054257 /nfs/dbraw/zinc/05/42/57/214054257.db2.gz OEUIGXXFXICVMZ-STQMWFEESA-N 0 0 328.459 1.308 10 0 EDAERN CCC[C@H](CC)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000125559005 222577611 /nfs/dbraw/zinc/57/76/11/222577611.db2.gz KUGXHVCDOAYVLN-RYUDHWBXSA-N 0 0 337.445 1.809 10 0 EDAERN CC[C@H](C)N(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050652427 214063778 /nfs/dbraw/zinc/06/37/78/214063778.db2.gz JLVJHMZRYAQUGK-JTQLQIEISA-N 0 0 334.463 1.481 10 0 EDAERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CC1CC1 ZINC000050662449 214064609 /nfs/dbraw/zinc/06/46/09/214064609.db2.gz UQCQEINQJXMPBQ-UHFFFAOYSA-N 0 0 332.447 1.162 10 0 EDAERN CCCNc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc(Cl)n1 ZINC000050712147 214068184 /nfs/dbraw/zinc/06/81/84/214068184.db2.gz CSHAOFKHJHZIOS-JTQLQIEISA-N 0 0 331.825 1.474 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1CCS(=O)CC1 ZINC000050776715 214069150 /nfs/dbraw/zinc/06/91/50/214069150.db2.gz AWBORPHKYDTBJE-UHFFFAOYSA-N 0 0 332.223 1.090 10 0 EDAERN Nc1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H]2CCCO)c1 ZINC000052759476 214143332 /nfs/dbraw/zinc/14/33/32/214143332.db2.gz KTSXNLSOTLCVER-JTQLQIEISA-N 0 0 336.816 1.987 10 0 EDAERN Cc1cc(CNC(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1C ZINC000062577101 214723747 /nfs/dbraw/zinc/72/37/47/214723747.db2.gz QPZXMMAMHUIXTK-UHFFFAOYSA-N 0 0 325.368 1.554 10 0 EDAERN CCCN(C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CC1 ZINC000125801543 222610550 /nfs/dbraw/zinc/61/05/50/222610550.db2.gz IBFIEPPKUMDQAA-LLVKDONJSA-N 0 0 335.429 1.515 10 0 EDAERN COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)on3)CC2)c1 ZINC000062612720 214725515 /nfs/dbraw/zinc/72/55/15/214725515.db2.gz GOOMACOUIJUILX-UHFFFAOYSA-N 0 0 331.372 1.963 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(-n2cncn2)nc1)C(C)C ZINC000055118769 214274933 /nfs/dbraw/zinc/27/49/33/214274933.db2.gz KLHHPHGLSYQZBE-INIZCTEOSA-N 0 0 344.419 1.788 10 0 EDAERN CCNS(=O)(=O)c1ccc(NC(=O)c2csc(N)n2)cc1 ZINC000055186586 214285402 /nfs/dbraw/zinc/28/54/02/214285402.db2.gz MQSVQTFBSAJKFA-UHFFFAOYSA-N 0 0 326.403 1.276 10 0 EDAERN CC[C@H](CO)NC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000174992019 529389985 /nfs/dbraw/zinc/38/99/85/529389985.db2.gz PPKMXBZMJBCHDZ-ZIAGYGMSSA-N 0 0 341.477 1.500 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)Cc2c(C)nc3nc(N)nn3c2C)o1 ZINC000055226997 214292053 /nfs/dbraw/zinc/29/20/53/214292053.db2.gz DPVIQUKTVHDQGV-SNVBAGLBSA-N 0 0 328.376 1.645 10 0 EDAERN CSc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173689731 231006248 /nfs/dbraw/zinc/00/62/48/231006248.db2.gz AUYXTEQNVNQMSD-ZDUSSCGKSA-N 0 0 345.428 1.802 10 0 EDAERN CCS(=O)(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1 ZINC000055271935 214299177 /nfs/dbraw/zinc/29/91/77/214299177.db2.gz QIPHTPQSJYODSS-UHFFFAOYSA-N 0 0 325.415 1.700 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCO2)[nH]1 ZINC000173736004 231019012 /nfs/dbraw/zinc/01/90/12/231019012.db2.gz XHZXAMGSUCHBGI-LBPRGKRZSA-N 0 0 342.808 1.529 10 0 EDAERN Cc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)nn1C(C)(C)C ZINC000173830916 231046648 /nfs/dbraw/zinc/04/66/48/231046648.db2.gz SVPJTMLQLWNCFP-XJKSGUPXSA-N 0 0 334.464 1.739 10 0 EDAERN O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173956651 231081091 /nfs/dbraw/zinc/08/10/91/231081091.db2.gz BPWLWRWJLCQBMJ-OAHLLOKOSA-N 0 0 344.390 1.763 10 0 EDAERN C[C@@H](SCc1nc(N)nc(N)n1)C(=O)N[C@H](C)c1ccccc1 ZINC000056229240 214365872 /nfs/dbraw/zinc/36/58/72/214365872.db2.gz SCYFPWPXFYAAAV-NXEZZACHSA-N 0 0 332.433 1.535 10 0 EDAERN CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@H]1CNC(=O)C1 ZINC000132971032 529502011 /nfs/dbraw/zinc/50/20/11/529502011.db2.gz UNPGDMQQRPVTNP-BMIGLBTASA-N 0 0 325.796 1.535 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(F)cc3)C2=O)n(C)n1 ZINC000175001007 231363788 /nfs/dbraw/zinc/36/37/88/231363788.db2.gz IARSXOZKNPMWOL-OAHLLOKOSA-N 0 0 344.390 1.722 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(F)cc3)C2=O)n(C)n1 ZINC000175007090 231364708 /nfs/dbraw/zinc/36/47/08/231364708.db2.gz FUQFSEJCWYOCIB-AWEZNQCLSA-N 0 0 330.363 1.793 10 0 EDAERN Cc1cccc(S(=O)(=O)NC[C@H]2Oc3ccccc3NC2=O)c1 ZINC000049739185 214029786 /nfs/dbraw/zinc/02/97/86/214029786.db2.gz YICCPCMLTJFIRH-OAHLLOKOSA-N 0 0 332.381 1.673 10 0 EDAERN Cc1cc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccccc2)no1 ZINC000049676416 214026356 /nfs/dbraw/zinc/02/63/56/214026356.db2.gz FQUPBIYSXGXTFY-GFCCVEGCSA-N 0 0 349.368 1.301 10 0 EDAERN CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@H]1c1cccc(OC)c1 ZINC000058950814 214611126 /nfs/dbraw/zinc/61/11/26/214611126.db2.gz KWVOFABTYNNPEB-CYBMUJFWSA-N 0 0 329.356 1.984 10 0 EDAERN CCc1nc(Br)cc(N2C[C@@H](CO)OC(C)(C)C2)n1 ZINC000163389382 529706516 /nfs/dbraw/zinc/70/65/16/529706516.db2.gz ZVKAZEBGRYKKBY-VIFPVBQESA-N 0 0 330.226 1.778 10 0 EDAERN Nc1cc(C(=O)N[C@H]2CCCNC2=O)c(Br)cc1F ZINC000061089241 214655695 /nfs/dbraw/zinc/65/56/95/214655695.db2.gz WQMQPLCCXZQVTE-JTQLQIEISA-N 0 0 330.157 1.179 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000133183182 529749769 /nfs/dbraw/zinc/74/97/69/529749769.db2.gz YYZIJUFUVDSKDP-ZDUSSCGKSA-N 0 0 342.403 1.274 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccccc1O ZINC000153545293 529749862 /nfs/dbraw/zinc/74/98/62/529749862.db2.gz HDDABUXSMLMCGD-ZDUSSCGKSA-N 0 0 329.404 1.923 10 0 EDAERN COc1cc(CNC(=O)c2cc(Br)cnc2N)ccn1 ZINC000062069559 214696546 /nfs/dbraw/zinc/69/65/46/214696546.db2.gz LEDYQXQGLDNDGP-UHFFFAOYSA-N 0 0 337.177 1.760 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000131601283 529757774 /nfs/dbraw/zinc/75/77/74/529757774.db2.gz ZTUNPPGDBUQCPC-UHFFFAOYSA-N 0 0 342.403 1.113 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccn(CCOC)n2)C1 ZINC000189722556 529760646 /nfs/dbraw/zinc/76/06/46/529760646.db2.gz RPKAHOHAGVVQTG-CQSZACIVSA-N 0 0 331.420 1.766 10 0 EDAERN C[N@@H+]1CC[C@@H](Cn2cc(I)cc2C(=O)[O-])C1 ZINC000167169289 529794484 /nfs/dbraw/zinc/79/44/84/529794484.db2.gz CROVXLVWDSHQJH-MRVPVSSYSA-N 0 0 334.157 1.743 10 0 EDAERN Cc1ccccc1CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177233488 231834554 /nfs/dbraw/zinc/83/45/54/231834554.db2.gz CHWOPURZUGNECQ-FUHWJXTLSA-N 0 0 331.460 1.900 10 0 EDAERN CNC(=O)NC(=O)[C@@H](C)Nc1ccc(Br)c(OC)c1 ZINC000169074500 529880738 /nfs/dbraw/zinc/88/07/38/529880738.db2.gz GXUSNCGHZFFFGJ-SSDOTTSWSA-N 0 0 330.182 1.714 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000158230849 529902219 /nfs/dbraw/zinc/90/22/19/529902219.db2.gz JMHYWCPSRAQALY-ZDUSSCGKSA-N 0 0 327.331 1.264 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000166871038 529923202 /nfs/dbraw/zinc/92/32/02/529923202.db2.gz BGUQGFHIIBQADT-LLVKDONJSA-N 0 0 327.743 1.155 10 0 EDAERN CC(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCN(C)CC2)o1 ZINC000065209223 214842168 /nfs/dbraw/zinc/84/21/68/214842168.db2.gz DOOUNUICTHPTTD-HNNXBMFYSA-N 0 0 329.404 1.241 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccn(-c2ccccc2F)n1 ZINC000177526727 231918232 /nfs/dbraw/zinc/91/82/32/231918232.db2.gz PWTIFBNICWMDKL-GFCCVEGCSA-N 0 0 326.335 1.868 10 0 EDAERN CN1CC(=O)N(Cc2ccc(Br)cc2Cl)CC1=O ZINC000168654948 530047057 /nfs/dbraw/zinc/04/70/57/530047057.db2.gz QNSUGQANLWUREW-UHFFFAOYSA-N 0 0 331.597 1.903 10 0 EDAERN CCNC(=O)c1cc(-c2cccc(OCCOCC)c2)nc(N)n1 ZINC000066138491 215015350 /nfs/dbraw/zinc/01/53/50/215015350.db2.gz MFTWCQVQDQNHHY-UHFFFAOYSA-N 0 0 330.388 1.891 10 0 EDAERN NC(=S)C1(C(=O)Nc2ccc(Br)cn2)CCOCC1 ZINC000044774376 213646415 /nfs/dbraw/zinc/64/64/15/213646415.db2.gz UTHFMAPGABFGCJ-UHFFFAOYSA-N 0 0 344.234 1.866 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCSCC1 ZINC000045277478 295778891 /nfs/dbraw/zinc/77/88/91/295778891.db2.gz OSHPXSLHWNRDGX-GFCCVEGCSA-N 0 0 326.443 1.664 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247399945 539677865 /nfs/dbraw/zinc/67/78/65/539677865.db2.gz QZVCRECMUFHMKD-MJBXVCDLSA-N 0 0 349.435 1.265 10 0 EDAERN CC(C)Cc1ncc2c(n1)CN(C(=O)CCCN1CCCC1=O)C2 ZINC000067850769 215230507 /nfs/dbraw/zinc/23/05/07/215230507.db2.gz YNQLTXRNZRLODS-UHFFFAOYSA-N 0 0 330.432 1.920 10 0 EDAERN O=C(c1cccc(Br)n1)N1CCC[C@@H](n2cncn2)C1 ZINC000179496004 233099380 /nfs/dbraw/zinc/09/93/80/233099380.db2.gz YFNSFATVZVIZEU-SNVBAGLBSA-N 0 0 336.193 1.913 10 0 EDAERN C[C@H](CN1C(=O)C(=O)c2cc(F)cc(Br)c21)C(N)=O ZINC000042079085 213478200 /nfs/dbraw/zinc/47/82/00/213478200.db2.gz SNXITKITYSJOMF-RXMQYKEDSA-N 0 0 329.125 1.239 10 0 EDAERN COC[C@H](C)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000103386362 219295879 /nfs/dbraw/zinc/29/58/79/219295879.db2.gz ZXIVWNPVRKEMHH-BBRMVZONSA-N 0 0 334.416 1.494 10 0 EDAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000103383511 219294915 /nfs/dbraw/zinc/29/49/15/219294915.db2.gz DLQHOALUXPFWEQ-VXGBXAGGSA-N 0 0 328.434 1.397 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 ZINC000103378070 219294968 /nfs/dbraw/zinc/29/49/68/219294968.db2.gz XMDZZVNKEAWCHD-NWDGAFQWSA-N 0 0 331.376 1.699 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000103386941 219296208 /nfs/dbraw/zinc/29/62/08/219296208.db2.gz SWCVZQOKTSKPMA-AWEZNQCLSA-N 0 0 334.416 1.191 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000103426953 219297595 /nfs/dbraw/zinc/29/75/95/219297595.db2.gz SNRXGPPVVHZEJX-AWEZNQCLSA-N 0 0 336.432 1.631 10 0 EDAERN CCc1csc([C@@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000103473111 219304732 /nfs/dbraw/zinc/30/47/32/219304732.db2.gz DRTCBHKNCHHYKJ-LLVKDONJSA-N 0 0 347.492 1.918 10 0 EDAERN COc1cccc(-c2cc(C(=O)N3CCN(C=O)CC3)nn2C)c1 ZINC000041211588 213431288 /nfs/dbraw/zinc/43/12/88/213431288.db2.gz ZIIQNDGDLWBFIA-UHFFFAOYSA-N 0 0 328.372 1.010 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2)nnn3C)C1 ZINC000103785697 219324936 /nfs/dbraw/zinc/32/49/36/219324936.db2.gz VSBAJLATWFRKNR-ZDUSSCGKSA-N 0 0 329.404 1.489 10 0 EDAERN COCc1nn2c(nc(COC(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000041077314 213413752 /nfs/dbraw/zinc/41/37/52/213413752.db2.gz GCPQFNXSROCOLK-UHFFFAOYSA-N 0 0 345.380 1.963 10 0 EDAERN CC1(C)C(=O)NCCN1CC(=O)c1cccc(Br)c1 ZINC000104140916 219351995 /nfs/dbraw/zinc/35/19/95/219351995.db2.gz QRMBUWISPPHZKZ-UHFFFAOYSA-N 0 0 325.206 1.842 10 0 EDAERN CNC(=O)CCCN1C(=O)C(=O)c2cc(F)cc(Br)c21 ZINC000068819100 215337593 /nfs/dbraw/zinc/33/75/93/215337593.db2.gz QUWVMZPGGLOZML-UHFFFAOYSA-N 0 0 343.152 1.644 10 0 EDAERN COC(CNS(=O)(=O)c1ccc(F)cc1Br)OC ZINC000040826822 213391634 /nfs/dbraw/zinc/39/16/34/213391634.db2.gz GVYXKSGGVUIRRR-UHFFFAOYSA-N 0 0 342.186 1.485 10 0 EDAERN CN1CCC[C@@H](NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)C1 ZINC000040672080 213366710 /nfs/dbraw/zinc/36/67/10/213366710.db2.gz GGZBSHGMNAZUJT-SECBINFHSA-N 0 0 338.260 1.948 10 0 EDAERN CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC000040637186 213362294 /nfs/dbraw/zinc/36/22/94/213362294.db2.gz BIKJWOLLPQSLID-LDYMZIIASA-N 0 0 343.177 1.463 10 0 EDAERN C[C@H](NC(=O)c1ccc(-c2ncn(C)n2)cc1)C(=O)N1CCCCC1 ZINC000180324118 233830899 /nfs/dbraw/zinc/83/08/99/233830899.db2.gz APMAQRWMLHWPPN-ZDUSSCGKSA-N 0 0 341.415 1.613 10 0 EDAERN Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000073432952 282809976 /nfs/dbraw/zinc/80/99/76/282809976.db2.gz MILNKKUXRKQEMO-QGZVFWFLSA-N 0 0 338.411 1.926 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccccc1OC(F)(F)F ZINC000180769192 233981544 /nfs/dbraw/zinc/98/15/44/233981544.db2.gz DLAFXIVFHIAKLI-LLVKDONJSA-N 0 0 348.321 1.008 10 0 EDAERN CCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1Br ZINC000040220891 213282800 /nfs/dbraw/zinc/28/28/00/213282800.db2.gz UGBBKGWLRCEQNI-UHFFFAOYSA-N 0 0 336.211 1.628 10 0 EDAERN O=C(Nc1cccc(Br)c1)N[C@@H]1C=CS(=O)(=O)C1 ZINC000040166555 213278488 /nfs/dbraw/zinc/27/84/88/213278488.db2.gz PMGFWEIBLIQRFL-SNVBAGLBSA-N 0 0 331.191 1.881 10 0 EDAERN CCCc1cc(=O)n(CC(=O)Nc2cc(OC)cc(OC)c2)cn1 ZINC000038509923 213212427 /nfs/dbraw/zinc/21/24/27/213212427.db2.gz MPCXHNFWMOURFA-UHFFFAOYSA-N 0 0 331.372 1.852 10 0 EDAERN C[C@@H](NC(=O)NCCCn1ccnn1)c1ccc2c(c1)OCCO2 ZINC000182054624 540129216 /nfs/dbraw/zinc/12/92/16/540129216.db2.gz NPUHUICJPWVFEZ-GFCCVEGCSA-N 0 0 331.376 1.500 10 0 EDAERN CCc1nn(C)cc1CNCc1nc(COc2ccccc2)n[nH]1 ZINC000185767303 540149191 /nfs/dbraw/zinc/14/91/91/540149191.db2.gz UFICQUALJCOZMS-UHFFFAOYSA-N 0 0 326.404 1.969 10 0 EDAERN O=C(c1c[nH]c(=O)c2ccccc12)N1CC[C@H](N2CCOCC2)C1 ZINC000187855079 540156537 /nfs/dbraw/zinc/15/65/37/540156537.db2.gz XGIFYLATMVAXAK-ZDUSSCGKSA-N 0 0 327.384 1.075 10 0 EDAERN Cc1c(C(=O)N2CC(NC(=O)C3CCC3)C2)cnn1-c1ccccn1 ZINC000188522399 540159643 /nfs/dbraw/zinc/15/96/43/540159643.db2.gz RJIMWUZKAHRPQP-UHFFFAOYSA-N 0 0 339.399 1.316 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000188737268 540160933 /nfs/dbraw/zinc/16/09/33/540160933.db2.gz YFXXAOGHVNFBPK-DDTOSNHZSA-N 0 0 338.791 1.262 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCCC2 ZINC000189122986 540162834 /nfs/dbraw/zinc/16/28/34/540162834.db2.gz FNYBMNUAWIEMIZ-FPCVCCKLSA-N 0 0 338.448 1.212 10 0 EDAERN O=[N+]([O-])c1cc(CNC2CS(=O)(=O)C2)ccc1Br ZINC000380044410 540166045 /nfs/dbraw/zinc/16/60/45/540166045.db2.gz SVCMOQRXGBDXNP-UHFFFAOYSA-N 0 0 335.179 1.244 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)c3ccn(C)c3C)CC2)n1 ZINC000195246395 540187629 /nfs/dbraw/zinc/18/76/29/540187629.db2.gz CQKQAYLCHJOVEJ-UHFFFAOYSA-N 0 0 343.431 1.793 10 0 EDAERN C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)s1 ZINC000076252774 138247683 /nfs/dbraw/zinc/24/76/83/138247683.db2.gz YIAFOFDBHUEGFY-ZETCQYMHSA-N 0 0 329.809 1.909 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CN1CCCCCCC1=O ZINC000081451631 138266657 /nfs/dbraw/zinc/26/66/57/138266657.db2.gz VMWQIDHLCCHEFV-ZDUSSCGKSA-N 0 0 326.437 1.968 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@H]1c1ccco1 ZINC000091228064 138283283 /nfs/dbraw/zinc/28/32/83/138283283.db2.gz HPVGOZBILSGXMD-LBPRGKRZSA-N 0 0 329.356 1.589 10 0 EDAERN CCc1nc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)sc1C ZINC000105890306 219582045 /nfs/dbraw/zinc/58/20/45/219582045.db2.gz QUIYUHYBUUNQBI-ZDUSSCGKSA-N 0 0 349.460 1.550 10 0 EDAERN Cc1cc(NC(=O)CSC[C@H](O)CO)ccc1Br ZINC000093958291 138295085 /nfs/dbraw/zinc/29/50/85/138295085.db2.gz SSMINDYYDSZXLY-SNVBAGLBSA-N 0 0 334.235 1.782 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NC[C@H]3CCCS3)CCO2)[nH]1 ZINC000120834754 138316461 /nfs/dbraw/zinc/31/64/61/138316461.db2.gz ZVGLFRJXDLKBAB-GHMZBOCLSA-N 0 0 325.438 1.346 10 0 EDAERN COc1ccc(CNC(=O)N2CCO[C@H](c3nccs3)C2)cn1 ZINC000111809863 138308862 /nfs/dbraw/zinc/30/88/62/138308862.db2.gz OWTCUZPBOVODBP-LBPRGKRZSA-N 0 0 334.401 1.830 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)CC2 ZINC000114868561 138310730 /nfs/dbraw/zinc/31/07/30/138310730.db2.gz ASTWPBQJXCXBOA-LBPRGKRZSA-N 0 0 335.452 1.214 10 0 EDAERN COC(=O)c1cccc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116311061 138311682 /nfs/dbraw/zinc/31/16/82/138311682.db2.gz KLSXDAJEYCMZJH-CQSZACIVSA-N 0 0 342.399 1.635 10 0 EDAERN COc1ccc(C(=O)NCC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116466827 138311880 /nfs/dbraw/zinc/31/18/80/138311880.db2.gz WUFNUJPAYKLFKC-AWEZNQCLSA-N 0 0 342.399 1.175 10 0 EDAERN COCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)n1 ZINC000124913827 138330652 /nfs/dbraw/zinc/33/06/52/138330652.db2.gz PYELDHVLFUEZPD-GFCCVEGCSA-N 0 0 332.360 1.425 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(C(N)=O)cn3C)C2)n1 ZINC000121206590 138317350 /nfs/dbraw/zinc/31/73/50/138317350.db2.gz MPXQFUWMBFCUJL-NSHDSACASA-N 0 0 332.429 1.909 10 0 EDAERN O=C(NCCc1ccc(Cl)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000123586955 138319555 /nfs/dbraw/zinc/31/95/55/138319555.db2.gz XTKPISOYDUHILJ-CQSZACIVSA-N 0 0 338.839 1.394 10 0 EDAERN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCC(c3cc[nH]n3)CC1)CS2 ZINC000125469286 138334180 /nfs/dbraw/zinc/33/41/80/138334180.db2.gz AATZZQNKJIYIBH-CZUORRHYSA-N 0 0 334.445 1.570 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CC1(O)CCCC1 ZINC000131180869 138353230 /nfs/dbraw/zinc/35/32/30/138353230.db2.gz ZKVDKAUGZSNMQZ-GFCCVEGCSA-N 0 0 337.424 1.206 10 0 EDAERN CC(C)N(CCO)S(=O)(=O)c1ccc(F)cc1Br ZINC000037574156 213158561 /nfs/dbraw/zinc/15/85/61/213158561.db2.gz KEYDFDSVSPSZHZ-UHFFFAOYSA-N 0 0 340.214 1.980 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)no1 ZINC000132001646 138369673 /nfs/dbraw/zinc/36/96/73/138369673.db2.gz ONDIEBAZUODHAP-LLVKDONJSA-N 0 0 346.435 1.556 10 0 EDAERN CCOc1ccc2[nH]c(S[C@H]3CS(=O)(=O)C[C@@H]3O)nc2c1 ZINC000037487781 213149615 /nfs/dbraw/zinc/14/96/15/213149615.db2.gz WASBZBKWMIMXRX-RYUDHWBXSA-N 0 0 328.415 1.212 10 0 EDAERN CCN(C)C(=O)CN1c2cccc(Br)c2C(=O)C1=O ZINC000037223453 213136818 /nfs/dbraw/zinc/13/68/18/213136818.db2.gz JWORGPKSXBEAGU-UHFFFAOYSA-N 0 0 325.162 1.457 10 0 EDAERN O=C(CN1CCS(=O)(=O)CC1)c1ccc(Br)s1 ZINC000037339412 213140103 /nfs/dbraw/zinc/14/01/03/213140103.db2.gz HHGKABGOZSABDE-UHFFFAOYSA-N 0 0 338.248 1.424 10 0 EDAERN CCOC(=O)N1CCN(CC(=O)Nc2cc3c(cc2C)OCO3)CC1 ZINC000037038602 213131584 /nfs/dbraw/zinc/13/15/84/213131584.db2.gz SAXKNHNEZPONQN-UHFFFAOYSA-N 0 0 349.387 1.436 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2N)CCO1 ZINC000037054938 213131454 /nfs/dbraw/zinc/13/14/54/213131454.db2.gz PMDJNVMWZASDIY-MRVPVSSYSA-N 0 0 335.223 1.441 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152205901 138469235 /nfs/dbraw/zinc/46/92/35/138469235.db2.gz VGCCAFFMACAWPX-OAHLLOKOSA-N 0 0 347.463 1.552 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)c1ccsc1)c1nnc2n1CCCC2 ZINC000153160830 138490910 /nfs/dbraw/zinc/49/09/10/138490910.db2.gz OFHKOYQTXGJXIT-CMPLNLGQSA-N 0 0 335.433 1.770 10 0 EDAERN C[C@@H]1CSCCN1S(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000070222572 215684696 /nfs/dbraw/zinc/68/46/96/215684696.db2.gz IRBIXGGIPPGXIF-MRVPVSSYSA-N 0 0 334.463 1.586 10 0 EDAERN O=c1c(Br)c(Br)cnn1-c1ncccn1 ZINC000036204357 213077045 /nfs/dbraw/zinc/07/70/45/213077045.db2.gz ZUXQGCGOJYIWHD-UHFFFAOYSA-N 0 0 331.955 1.548 10 0 EDAERN CCCCS(=O)(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000036109801 213070656 /nfs/dbraw/zinc/07/06/56/213070656.db2.gz WIVKHEDMBLASHW-HNNXBMFYSA-N 0 0 340.445 1.306 10 0 EDAERN CCCS(=O)(=O)NC[C@@H](c1cccc(OC)c1)N1CCOCC1 ZINC000036099037 213065323 /nfs/dbraw/zinc/06/53/23/213065323.db2.gz WROIXTZTGJRRMO-INIZCTEOSA-N 0 0 342.461 1.398 10 0 EDAERN CCc1nnc(CN(C)Cc2ccc(OCC(=O)OC)cc2)n1C ZINC000187737089 236287534 /nfs/dbraw/zinc/28/75/34/236287534.db2.gz RRKRJJUHFLVQLM-UHFFFAOYSA-N 0 0 332.404 1.561 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c2cccnc12 ZINC000187921231 236341918 /nfs/dbraw/zinc/34/19/18/236341918.db2.gz NRGVKOUFNCOGIN-UHFFFAOYSA-N 0 0 345.424 1.442 10 0 EDAERN CC(=O)O[C@H]1[C@@H](OCc2ccccc2)[C@H](O)O[C@@H](C)[C@@H]1OC(C)=O ZINC000035636489 213044101 /nfs/dbraw/zinc/04/41/01/213044101.db2.gz HBVDJQLPAKHZER-MJQUHVBXSA-N 0 0 338.356 1.172 10 0 in-vitro EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CNC(=O)c1cccnc1 ZINC000164327259 138650433 /nfs/dbraw/zinc/65/04/33/138650433.db2.gz PGBAWOLTRLKJEU-OAHLLOKOSA-N 0 0 341.415 1.525 10 0 EDAERN CCC[C@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)C(=O)OC(C)(C)C ZINC000161549878 138643594 /nfs/dbraw/zinc/64/35/94/138643594.db2.gz KMBWAXDOZDHFSU-OLZOCXBDSA-N 0 0 326.437 1.872 10 0 EDAERN CC(C)NC(=O)CNCC(=O)Nc1ccccc1Br ZINC000035133222 213009895 /nfs/dbraw/zinc/00/98/95/213009895.db2.gz ZXIWNRZWQWHJRR-UHFFFAOYSA-N 0 0 328.210 1.502 10 0 EDAERN CN1CCN(CC(=O)c2ccc(I)cc2)CC1 ZINC000035020462 213004988 /nfs/dbraw/zinc/00/49/88/213004988.db2.gz NNGLVQANXQIVKO-UHFFFAOYSA-N 0 0 344.196 1.721 10 0 EDAERN O=C(CN1C(=O)CSC=C1c1ccccc1)N1CCC(=O)CC1 ZINC000071544448 215785657 /nfs/dbraw/zinc/78/56/57/215785657.db2.gz VEDXRBFKSNWMFH-UHFFFAOYSA-N 0 0 330.409 1.752 10 0 EDAERN c1cc(CN2CCN(Cc3noc(C4CCOCC4)n3)CC2)no1 ZINC000173937828 138677318 /nfs/dbraw/zinc/67/73/18/138677318.db2.gz SWHYUZNAIVBOSK-UHFFFAOYSA-N 0 0 333.392 1.269 10 0 EDAERN CCOC(=O)CCN(CCCNC(C)=O)C(=O)CCc1ccccc1 ZINC000071621398 215789834 /nfs/dbraw/zinc/78/98/34/215789834.db2.gz JMLMIEPHYBICHK-UHFFFAOYSA-N 0 0 348.443 1.927 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(-c2ccccc2)[nH]c1=O ZINC000177591446 138731488 /nfs/dbraw/zinc/73/14/88/138731488.db2.gz GZJXIDXSMZQXRX-HNNXBMFYSA-N 0 0 335.367 1.898 10 0 EDAERN CCc1cc(N2CCC(NC(=O)N[C@H](C)[C@H]3CCCO3)CC2)ncn1 ZINC000178561428 138742832 /nfs/dbraw/zinc/74/28/32/138742832.db2.gz UNECOIPKULWHDZ-CZUORRHYSA-N 0 0 347.463 1.875 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(C)C ZINC000178674213 138744106 /nfs/dbraw/zinc/74/41/06/138744106.db2.gz MRTAJVDHKIAALN-XJKCOSOUSA-N 0 0 332.400 1.448 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1)C(C)C ZINC000178691598 138744422 /nfs/dbraw/zinc/74/44/22/138744422.db2.gz NPRSUNDEMLSVTB-RHSMWYFYSA-N 0 0 348.443 1.862 10 0 EDAERN NS(=O)(=O)c1ccc(CCn2cnc3ccccc3c2=O)cc1 ZINC000032553320 212810493 /nfs/dbraw/zinc/81/04/93/212810493.db2.gz ZOSJDFUTHKPBRT-UHFFFAOYSA-N 0 0 329.381 1.287 10 0 EDAERN CCC1(CC)[C@H](NC(=O)N[C@@H]2CCc3ncnn3C2)[C@@H](C)[C@@H]1OC ZINC000181502541 138769028 /nfs/dbraw/zinc/76/90/28/138769028.db2.gz SUULPDKBIINZDQ-GBOPCIDUSA-N 0 0 335.452 1.732 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1cccc(OCC(F)F)n1)C(C)C ZINC000184473474 138795187 /nfs/dbraw/zinc/79/51/87/138795187.db2.gz FPEFDVUXHNPBQA-GFCCVEGCSA-N 0 0 330.335 1.618 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2sc(C)nc2-c2ccccc2)C1 ZINC000185237529 138802952 /nfs/dbraw/zinc/80/29/52/138802952.db2.gz DMDWDYMWFTWWQL-UHFFFAOYSA-N 0 0 345.424 1.706 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCc2c1cccc2F ZINC000185746460 138808250 /nfs/dbraw/zinc/80/82/50/138808250.db2.gz DLEDXCNGNJDDJW-ZDUSSCGKSA-N 0 0 343.362 1.266 10 0 EDAERN Cc1nc2nc(-c3ccccc3)nn2cc1C(=O)N1CCN(C)CC1 ZINC000072466367 216247366 /nfs/dbraw/zinc/24/73/66/216247366.db2.gz QWMFSAHWIGAOHS-UHFFFAOYSA-N 0 0 336.399 1.487 10 0 EDAERN COC(=O)c1cnn2c1ncc1c(=O)n(-c3cccc(F)c3)ccc12 ZINC000072465963 216247432 /nfs/dbraw/zinc/24/74/32/216247432.db2.gz GRFDKTXQXKRRGS-UHFFFAOYSA-N 0 0 338.298 1.959 10 0 EDAERN O=C(CNC(=O)c1cccc(F)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000132003038 223291072 /nfs/dbraw/zinc/29/10/72/223291072.db2.gz UUEVWCSILKVDNV-CYBMUJFWSA-N 0 0 345.378 1.086 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000188434476 138841124 /nfs/dbraw/zinc/84/11/24/138841124.db2.gz VFVAWWQJRFQKOH-TZMCWYRMSA-N 0 0 342.342 1.228 10 0 EDAERN CS[C@@H]1CCC[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188857865 138853900 /nfs/dbraw/zinc/85/39/00/138853900.db2.gz UKMHPQILMLATFP-GXTWGEPZSA-N 0 0 325.478 1.971 10 0 EDAERN O=C(NCCCn1ncccc1=O)c1cccc(Br)c1 ZINC000023241766 212364063 /nfs/dbraw/zinc/36/40/63/212364063.db2.gz CNAQZCDOFVUSHI-UHFFFAOYSA-N 0 0 336.189 1.826 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000189289785 138866620 /nfs/dbraw/zinc/86/66/20/138866620.db2.gz KIOMPTJFGQIVMV-LLVKDONJSA-N 0 0 347.337 1.381 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1)C1CC1 ZINC000189409461 138871672 /nfs/dbraw/zinc/87/16/72/138871672.db2.gz CXXAUPYVBSTMCX-UHFFFAOYSA-N 0 0 329.331 1.018 10 0 EDAERN O=C(CCCc1ccc(F)c(F)c1)NC[C@H](O)CN1CCOCC1 ZINC000132906045 223373312 /nfs/dbraw/zinc/37/33/12/223373312.db2.gz IBAOYVFAOUBHEV-AWEZNQCLSA-N 0 0 342.386 1.097 10 0 EDAERN O=C(Nc1ccc(Br)nc1)N[C@@H]1CCc2ncnn2C1 ZINC000133008097 223381629 /nfs/dbraw/zinc/38/16/29/223381629.db2.gz GTMBWVVLAGYHRM-SECBINFHSA-N 0 0 337.181 1.572 10 0 EDAERN NC(=S)c1cccc(S(=O)(=O)N2CCCC[C@H]2CCO)c1 ZINC000021518036 212227435 /nfs/dbraw/zinc/22/74/35/212227435.db2.gz YDWFCRFDNWRGNE-LBPRGKRZSA-N 0 0 328.459 1.246 10 0 EDAERN CCC(=O)Nc1sc(C(=O)N2CCOCC2)c(C)c1C(=O)OC ZINC000021241308 212218230 /nfs/dbraw/zinc/21/82/30/212218230.db2.gz SMLNSCWJQHYCAG-UHFFFAOYSA-N 0 0 340.401 1.664 10 0 EDAERN O=C(Nc1ccc(Cl)cc1-n1cccn1)C(=O)N1CCC[C@@H]1CO ZINC000190599328 138893767 /nfs/dbraw/zinc/89/37/67/138893767.db2.gz IKADHDZFURUXCK-GFCCVEGCSA-N 0 0 348.790 1.448 10 0 EDAERN Cc1csc(NC(=O)CSc2nnc(C(C)(C)C)n2N)n1 ZINC000020841790 212175555 /nfs/dbraw/zinc/17/55/55/212175555.db2.gz WAVANUNRKZBNRF-UHFFFAOYSA-N 0 0 326.451 1.785 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000190978487 138901501 /nfs/dbraw/zinc/90/15/01/138901501.db2.gz JCXGZKFLSNTPJD-SECBINFHSA-N 0 0 334.800 1.519 10 0 EDAERN CCc1nnc(C2CCN(C(=O)[C@H](NC(=O)OC)C(C)C)CC2)[nH]1 ZINC000191578010 138918095 /nfs/dbraw/zinc/91/80/95/138918095.db2.gz SOOFLGPVPVKDDI-CYBMUJFWSA-N 0 0 337.424 1.454 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000193374389 138967819 /nfs/dbraw/zinc/96/78/19/138967819.db2.gz HWZLJYJZHJBZIM-INIZCTEOSA-N 0 0 338.448 1.832 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000193518938 138971498 /nfs/dbraw/zinc/97/14/98/138971498.db2.gz BMYCBAMANGMZJG-FDQGKXFDSA-N 0 0 348.443 1.880 10 0 EDAERN Cc1c(=O)nc2n(c1[C@@H]1CCCN(C(=O)c3ccncc3)C1)CCC2 ZINC000019554867 212040909 /nfs/dbraw/zinc/04/09/09/212040909.db2.gz QFLHQAHNYOAZES-OAHLLOKOSA-N 0 0 338.411 1.913 10 0 EDAERN C[C@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CCCO1 ZINC000078029933 217012754 /nfs/dbraw/zinc/01/27/54/217012754.db2.gz WYIQDJGKXNHVTK-GLQYFDAESA-N 0 0 330.384 1.189 10 0 EDAERN O=C(NCCCCO)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000194957124 139003305 /nfs/dbraw/zinc/00/33/05/139003305.db2.gz XKWPAZJQXMZBJU-HNNXBMFYSA-N 0 0 347.440 1.572 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)nc2ccccc12 ZINC000194995290 139003927 /nfs/dbraw/zinc/00/39/27/139003927.db2.gz RSCIOGXDCUIZHI-GOSISDBHSA-N 0 0 338.367 1.357 10 0 EDAERN O=C(c1ccc(N2CCNC2=O)cc1)N1CCN2CCCC[C@H]2C1 ZINC000195072771 139006354 /nfs/dbraw/zinc/00/63/54/139006354.db2.gz FXKMZMNFSCVGQM-INIZCTEOSA-N 0 0 328.416 1.527 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000195220946 139010433 /nfs/dbraw/zinc/01/04/33/139010433.db2.gz CPPFEVAPAQMZKR-GJZGRUSLSA-N 0 0 338.429 1.259 10 0 EDAERN Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195273268 139012143 /nfs/dbraw/zinc/01/21/43/139012143.db2.gz OJVQGENGTUFBEU-JTQLQIEISA-N 0 0 336.827 1.842 10 0 EDAERN CCCS(=O)(=O)CCN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195276411 139012146 /nfs/dbraw/zinc/01/21/46/139012146.db2.gz LYTMKZGAZVZINV-QGZVFWFLSA-N 0 0 339.505 1.660 10 0 EDAERN C[C@]1(n2nnnc2-c2ccc(N)cc2Cl)CCS(=O)(=O)C1 ZINC000044932302 213676806 /nfs/dbraw/zinc/67/68/06/213676806.db2.gz SFEPRIAOISHKBY-LBPRGKRZSA-N 0 0 327.797 1.109 10 0 EDAERN CCCNC(=O)NC(=O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195393399 139015688 /nfs/dbraw/zinc/01/56/88/139015688.db2.gz MHUSKKFKVKPEQP-NSHDSACASA-N 0 0 326.422 1.061 10 0 EDAERN CCc1csc([C@@H]2CCCN(CC(=O)NCC(=O)OC)C2)n1 ZINC000195442704 139016826 /nfs/dbraw/zinc/01/68/26/139016826.db2.gz ZJNSHTPMUVFSBD-LLVKDONJSA-N 0 0 325.434 1.174 10 0 EDAERN O=S(=O)(c1cccnc1)N1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483266 214013327 /nfs/dbraw/zinc/01/33/27/214013327.db2.gz XTNBEUKEYGTLOT-UHFFFAOYSA-N 0 0 343.368 1.315 10 0 EDAERN COc1cccc(OC)c1C(=O)NCCc1nn2cnnc2s1 ZINC000049722250 214029093 /nfs/dbraw/zinc/02/90/93/214029093.db2.gz NBRDTFYXHLWLHH-UHFFFAOYSA-N 0 0 333.373 1.176 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCc2nn3cnnc3s2)c(C)c1 ZINC000049722323 214029382 /nfs/dbraw/zinc/02/93/82/214029382.db2.gz SHKDYXSDBDFNJE-UHFFFAOYSA-N 0 0 337.430 1.324 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000078614894 217087786 /nfs/dbraw/zinc/08/77/86/217087786.db2.gz WPMLMGPYWLRWQP-CQSZACIVSA-N 0 0 326.462 1.796 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1C ZINC000135578278 223590110 /nfs/dbraw/zinc/59/01/10/223590110.db2.gz HNENBTSWPMJGAK-BBRMVZONSA-N 0 0 339.457 1.988 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)nnn3C)C1 ZINC000110753190 220063511 /nfs/dbraw/zinc/06/35/11/220063511.db2.gz MPMPNFIVWZDVJD-ZDUSSCGKSA-N 0 0 339.403 1.600 10 0 EDAERN COc1cccc(CC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000110902473 220077541 /nfs/dbraw/zinc/07/75/41/220077541.db2.gz DCAYSMHXEDYHJO-GOSISDBHSA-N 0 0 343.427 1.979 10 0 EDAERN CC(C)COc1ncccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111082608 220097965 /nfs/dbraw/zinc/09/79/65/220097965.db2.gz JPRWWMYJQAFXLP-OAHLLOKOSA-N 0 0 344.415 1.854 10 0 EDAERN COc1ccccc1CCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078786 220097020 /nfs/dbraw/zinc/09/70/20/220097020.db2.gz OQQJMPZVPFJKLM-MRXNPFEDSA-N 0 0 329.400 1.752 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(CC(=O)NCc3cccnc3)C2)no1 ZINC000111213175 220111958 /nfs/dbraw/zinc/11/19/58/220111958.db2.gz GLMIFZVFAIRUTC-AWEZNQCLSA-N 0 0 329.404 1.344 10 0 EDAERN CC(=O)Nc1nc2ccc(NC(=O)[C@H]3CN(C)CCO3)cc2s1 ZINC000081000120 217348890 /nfs/dbraw/zinc/34/88/90/217348890.db2.gz ILRCRFUTLBTSIM-GFCCVEGCSA-N 0 0 334.401 1.524 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccccc1-n1cnnn1 ZINC000081450298 217399526 /nfs/dbraw/zinc/39/95/26/217399526.db2.gz HOMQWUHRMLQMHJ-NSHDSACASA-N 0 0 331.376 1.465 10 0 EDAERN CO[C@]1(C)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C1(C)C ZINC000245466463 139076227 /nfs/dbraw/zinc/07/62/27/139076227.db2.gz ZABSNRFVNNZHBP-PMUMKWKESA-N 0 0 333.432 1.586 10 0 EDAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000245670522 139082610 /nfs/dbraw/zinc/08/26/10/139082610.db2.gz JTXCKCGYTLILIR-XJKCOSOUSA-N 0 0 344.415 1.652 10 0 EDAERN COC[C@@H](C)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000139341721 223709908 /nfs/dbraw/zinc/70/99/08/223709908.db2.gz PKZDESMCUBOCAI-NWDGAFQWSA-N 0 0 328.434 1.733 10 0 EDAERN COc1ccccc1N1CC[C@H](N2CCC[C@H](NC(C)=O)C2)C1=O ZINC000246266687 139101758 /nfs/dbraw/zinc/10/17/58/139101758.db2.gz RNSAILLZTNDFQG-HOCLYGCPSA-N 0 0 331.416 1.401 10 0 EDAERN Cc1cc(C)cc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000246394407 139106950 /nfs/dbraw/zinc/10/69/50/139106950.db2.gz JAPBWVWDFHGASS-WMZOPIPTSA-N 0 0 331.460 1.894 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000246491817 139110749 /nfs/dbraw/zinc/11/07/49/139110749.db2.gz SNPAYDXRJMYDKZ-RWSFTLGLSA-N 0 0 344.358 1.571 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000246499952 139110787 /nfs/dbraw/zinc/11/07/87/139110787.db2.gz SKXVGVZRCPEWQR-RRFJBIMHSA-N 0 0 334.416 1.953 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000246550713 139112509 /nfs/dbraw/zinc/11/25/09/139112509.db2.gz WCYBJAQIDWFFIZ-DGCLKSJQSA-N 0 0 332.404 1.982 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)C[C@@H]1C ZINC000246798792 139122117 /nfs/dbraw/zinc/12/21/17/139122117.db2.gz RDUPHKMHGKXTMW-CKFHNAJUSA-N 0 0 346.427 1.072 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000246917617 139126879 /nfs/dbraw/zinc/12/68/79/139126879.db2.gz ISKNTNDFJWRRSY-QUCCMNQESA-N 0 0 343.471 1.660 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cnc1Cl ZINC000247017749 139131515 /nfs/dbraw/zinc/13/15/15/139131515.db2.gz HMAUIKPNQQPSQW-LBPRGKRZSA-N 0 0 329.853 1.902 10 0 EDAERN C[C@@H](C(=O)Nc1cccnc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247038610 139132768 /nfs/dbraw/zinc/13/27/68/139132768.db2.gz DPHXYGXWUFMLSC-QWHCGFSZSA-N 0 0 349.822 1.660 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCc2csc(=O)[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000089508373 217806190 /nfs/dbraw/zinc/80/61/90/217806190.db2.gz SFRGUSOSHMGMKN-OCCSQVGLSA-N 0 0 349.387 1.411 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)c2cnn(C)c2)c2cccs2)CCO1 ZINC000247110585 139135927 /nfs/dbraw/zinc/13/59/27/139135927.db2.gz WTFFXXIFONUMGN-GXTWGEPZSA-N 0 0 334.445 1.673 10 0 EDAERN C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247268288 139143186 /nfs/dbraw/zinc/14/31/86/139143186.db2.gz ROVSNOKTDYPKCT-NHCYSSNCSA-N 0 0 346.399 1.307 10 0 EDAERN C[C@@H](C(=O)NCCc1cccs1)N1CCC[C@@H](n2cncn2)C1 ZINC000247395440 139147201 /nfs/dbraw/zinc/14/72/01/139147201.db2.gz XRKOCBCIPVMAMZ-UONOGXRCSA-N 0 0 333.461 1.724 10 0 EDAERN CC[C@@H]1CN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CCN1C[C@H](C)O ZINC000247734467 139154456 /nfs/dbraw/zinc/15/44/56/139154456.db2.gz MQKXZOXAIYJXGV-BLLLJJGKSA-N 0 0 349.475 1.794 10 0 EDAERN C[C@H](O)CCNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248336046 139160445 /nfs/dbraw/zinc/16/04/45/139160445.db2.gz GXDXUYBITMDBRZ-MELADBBJSA-N 0 0 341.477 1.580 10 0 EDAERN Cn1ccnc(N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1=O ZINC000248577689 139168236 /nfs/dbraw/zinc/16/82/36/139168236.db2.gz NUVNKLBZNCPYHK-XQQFMLRXSA-N 0 0 334.420 1.520 10 0 EDAERN Cc1cc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)on1 ZINC000011781478 211247110 /nfs/dbraw/zinc/24/71/10/211247110.db2.gz QQZASYPKQPPBMU-UHFFFAOYSA-N 0 0 328.303 1.979 10 0 EDAERN COc1cc2c(cc1CN1C[C@]3(CCOC3)CCC1=O)OCCO2 ZINC000091808720 218069575 /nfs/dbraw/zinc/06/95/75/218069575.db2.gz DYCLQWQJZNPVFX-GOSISDBHSA-N 0 0 333.384 1.996 10 0 EDAERN COc1ccc(N[C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1 ZINC000011665222 211231458 /nfs/dbraw/zinc/23/14/58/211231458.db2.gz QFXZCBFVVHXPGB-AWEZNQCLSA-N 0 0 344.415 1.706 10 0 EDAERN CCOC(=O)NCCC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091762501 218061463 /nfs/dbraw/zinc/06/14/63/218061463.db2.gz KITJDQJOVMIULE-RISCZKNCSA-N 0 0 342.342 1.735 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000091783881 218065742 /nfs/dbraw/zinc/06/57/42/218065742.db2.gz IMEJMNMHDDZRLD-KRWDZBQOSA-N 0 0 340.379 1.592 10 0 EDAERN COCCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000011097374 211203841 /nfs/dbraw/zinc/20/38/41/211203841.db2.gz GIVHDTIXKAUOHL-CQSZACIVSA-N 0 0 347.415 1.258 10 0 EDAERN Cc1nnc(NC(=O)CSc2nnc(C(C)(C)C)n2N)s1 ZINC000011177991 211207145 /nfs/dbraw/zinc/20/71/45/211207145.db2.gz KIQZGKLZLSTDAU-UHFFFAOYSA-N 0 0 327.439 1.180 10 0 EDAERN CNC(=O)[C@H]1CCCN1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000092098841 218119782 /nfs/dbraw/zinc/11/97/82/218119782.db2.gz SSGRRIYYMIMFEC-MRXNPFEDSA-N 0 0 345.443 1.302 10 0 EDAERN Cn1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c(C(C)(C)C)n1 ZINC000092245160 218129720 /nfs/dbraw/zinc/12/97/20/218129720.db2.gz RJKBDRDSMHOBJC-CYBMUJFWSA-N 0 0 330.436 1.862 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCO[C@@H](C3CC3)C1)CC2 ZINC000248880457 139178951 /nfs/dbraw/zinc/17/89/51/139178951.db2.gz ROJJPAUCAKHONR-RBSFLKMASA-N 0 0 347.463 1.973 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(-c2ncco2)c1 ZINC000093093115 218193324 /nfs/dbraw/zinc/19/33/24/218193324.db2.gz HTEWMYLUZABSDY-OAHLLOKOSA-N 0 0 346.387 1.156 10 0 EDAERN CCOCCOc1ccc(C(=O)NC(=S)N[C@H](CC)CO)cc1 ZINC000009866542 211128187 /nfs/dbraw/zinc/12/81/87/211128187.db2.gz FVXBECONTJTHRE-CYBMUJFWSA-N 0 0 340.445 1.477 10 0 EDAERN CCOc1c(CC)cnc2c1c(=O)n(Cc1ccccn1)c(=O)n2C ZINC000009571787 211103085 /nfs/dbraw/zinc/10/30/85/211103085.db2.gz ZSRICYUHZDNKNT-UHFFFAOYSA-N 0 0 340.383 1.500 10 0 EDAERN CN(C(=O)COc1ccccc1O)[C@H]1CCCN(c2cccnn2)C1 ZINC000151772071 223865033 /nfs/dbraw/zinc/86/50/33/223865033.db2.gz FDSJUPSYPPZTLI-AWEZNQCLSA-N 0 0 342.399 1.688 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249495077 139194264 /nfs/dbraw/zinc/19/42/64/139194264.db2.gz GKBVMPHILWYTFC-FPMFFAJLSA-N 0 0 348.424 1.694 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](CO)Cc1ccc(C)cc1 ZINC000249504406 139194418 /nfs/dbraw/zinc/19/44/18/139194418.db2.gz YCFKUKXZKGJXLD-QZTJIDSGSA-N 0 0 334.460 1.516 10 0 EDAERN COc1ccc(C[C@H]2COCC[C@@H]2S(=O)(=O)NC2CC2)cc1 ZINC000095076278 218273942 /nfs/dbraw/zinc/27/39/42/218273942.db2.gz ZWUQMKOMOREVRC-BBRMVZONSA-N 0 0 325.430 1.725 10 0 EDAERN CN(CC(=O)c1cnccn1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075488 218272765 /nfs/dbraw/zinc/27/27/65/218272765.db2.gz XHVDDGNPOIGMRC-ZDUSSCGKSA-N 0 0 334.420 1.848 10 0 EDAERN C[C@@H]1CCC[C@@H](NC(=O)CN2CCCN(c3cccnn3)CC2)[C@H]1C ZINC000252321855 139204192 /nfs/dbraw/zinc/20/41/92/139204192.db2.gz ZEIDOKXHHUDDRE-IXDOHACOSA-N 0 0 345.491 1.930 10 0 EDAERN CN[C@@H](C(=O)NCCc1csc(N2CCCC2)n1)c1cnn(C)c1 ZINC000262320577 139269844 /nfs/dbraw/zinc/26/98/44/139269844.db2.gz FCVLOXWVLLTPBI-CQSZACIVSA-N 0 0 348.476 1.096 10 0 EDAERN O=C1Nc2ccc(Br)cc2C(c2ccccn2)=N[C@H]1O ZINC000006118998 284927219 /nfs/dbraw/zinc/92/72/19/284927219.db2.gz URRUSNGCYBXNLO-AWEZNQCLSA-N 0 0 332.157 1.952 10 0 in-vitro EDAERN Cc1noc(CCNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000152705867 224001211 /nfs/dbraw/zinc/00/12/11/224001211.db2.gz RKDPYQOYYARHHZ-CYBMUJFWSA-N 0 0 345.407 1.021 10 0 EDAERN O=C(NCCc1ccccn1)N1CCC(Nc2cccnn2)CC1 ZINC000152723025 224003711 /nfs/dbraw/zinc/00/37/11/224003711.db2.gz PFQOPBUQLOBXOG-UHFFFAOYSA-N 0 0 326.404 1.700 10 0 EDAERN COc1cccc(Cl)c1CC(=O)NC[C@H](C)N1CCOCC1 ZINC000152974383 224039660 /nfs/dbraw/zinc/03/96/60/224039660.db2.gz ZUSNUVMNLQBQHD-LBPRGKRZSA-N 0 0 326.824 1.728 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000153260841 224080536 /nfs/dbraw/zinc/08/05/36/224080536.db2.gz CWQTWVXBLAWNCF-ZFWWWQNUSA-N 0 0 343.383 1.947 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccccc2)ncn1 ZINC000173898708 533051268 /nfs/dbraw/zinc/05/12/68/533051268.db2.gz XSUYDAGBUVRYPU-CYBMUJFWSA-N 0 0 347.444 1.466 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000112658331 220366997 /nfs/dbraw/zinc/36/69/97/220366997.db2.gz LSRRWWYNZPJQBK-STQMWFEESA-N 0 0 349.435 1.356 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000112662563 220367994 /nfs/dbraw/zinc/36/79/94/220367994.db2.gz XMCFHEOHSRZRLK-LLVKDONJSA-N 0 0 340.412 1.871 10 0 EDAERN COc1cc(CCC(=O)N[C@H]2CCc3ncnn3C2)cc(OC)c1 ZINC000112662998 220368041 /nfs/dbraw/zinc/36/80/41/220368041.db2.gz CDYHLAOQUZSBAT-ZDUSSCGKSA-N 0 0 330.388 1.359 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)C(O)(c1ccccc1)c1ccccc1 ZINC000112725305 220386822 /nfs/dbraw/zinc/38/68/22/220386822.db2.gz QDKHXVDZULRFGO-KRWDZBQOSA-N 0 0 348.406 1.645 10 0 EDAERN O=C(NCCOc1ccc(Cl)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112740875 220393002 /nfs/dbraw/zinc/39/30/02/220393002.db2.gz HTGSJJDTUAJNLL-LBPRGKRZSA-N 0 0 335.795 1.625 10 0 EDAERN Cn1ccc(NC(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000114004860 220624226 /nfs/dbraw/zinc/62/42/26/220624226.db2.gz YOOFUAJHCXWMDO-UHFFFAOYSA-N 0 0 345.451 1.721 10 0 EDAERN Cc1noc(CCCC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 ZINC000116782255 220989019 /nfs/dbraw/zinc/98/90/19/220989019.db2.gz RHTUDRKKYNFVTB-OAHLLOKOSA-N 0 0 346.435 1.848 10 0 EDAERN Cc1ccc([C@H]2COCCN2C(=O)NC[C@H](C)N2CCOCC2)o1 ZINC000116940513 221013488 /nfs/dbraw/zinc/01/34/88/221013488.db2.gz MYEWBHNOZUIDDY-DZGCQCFKSA-N 0 0 337.420 1.392 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(OC)ccc2O)C[C@@H]1CC ZINC000116977444 221018570 /nfs/dbraw/zinc/01/85/70/221018570.db2.gz BCBPYLXMUZIOTH-AWEZNQCLSA-N 0 0 336.432 1.974 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccc(C)c(C(N)=O)c2)C[C@H]1C ZINC000117453707 221065157 /nfs/dbraw/zinc/06/51/57/221065157.db2.gz VXUDQTKBKHCJJS-CQSZACIVSA-N 0 0 348.447 1.668 10 0 EDAERN COCCN1CCN(C(=O)NCCCNc2ccccn2)C[C@@H]1C ZINC000117479790 221069999 /nfs/dbraw/zinc/06/99/99/221069999.db2.gz KSJVEWQDVIDSGF-HNNXBMFYSA-N 0 0 335.452 1.246 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2nnc3ccccn32)C[C@H]1C ZINC000117472692 221067200 /nfs/dbraw/zinc/06/72/00/221067200.db2.gz LKUVBEUJQVHDEN-KGLIPLIRSA-N 0 0 346.435 1.152 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(Cl)nc2)C[C@@H]1C ZINC000117482037 221069433 /nfs/dbraw/zinc/06/94/33/221069433.db2.gz YVLAKFUVEYQCFQ-LBPRGKRZSA-N 0 0 326.828 1.597 10 0 EDAERN Cc1cnn(CCNC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000117809242 221091766 /nfs/dbraw/zinc/09/17/66/221091766.db2.gz FJESMGVJBDGXRP-UHFFFAOYSA-N 0 0 348.428 1.161 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccc(N3CCCC3)nc2)c1 ZINC000118058357 221110984 /nfs/dbraw/zinc/11/09/84/221110984.db2.gz DQESVAGMJLWYMN-UHFFFAOYSA-N 0 0 328.420 1.686 10 0 EDAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1Cl ZINC000118115314 221121911 /nfs/dbraw/zinc/12/19/11/221121911.db2.gz FBXLUJUUFMPJBP-LBPRGKRZSA-N 0 0 325.796 1.034 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(F)c(Cl)c1 ZINC000119327113 221295652 /nfs/dbraw/zinc/29/56/52/221295652.db2.gz CTZSKYBVAGVPCD-LLVKDONJSA-N 0 0 331.775 1.294 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000155147281 224365971 /nfs/dbraw/zinc/36/59/71/224365971.db2.gz DCZABTMQYJUBMP-CYBMUJFWSA-N 0 0 327.450 1.396 10 0 EDAERN c1cnc(N2CC3(C2)C[C@H](CCOc2cnccn2)CCO3)nc1 ZINC000253588377 257658741 /nfs/dbraw/zinc/65/87/41/257658741.db2.gz ANKCWZIARAVMIO-CQSZACIVSA-N 0 0 327.388 1.721 10 0 EDAERN COCCO[C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]1Cc1cccnc1 ZINC000247848931 257678251 /nfs/dbraw/zinc/67/82/51/257678251.db2.gz NXACICGLXQJPPE-IAGOWNOFSA-N 0 0 342.399 1.360 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CCCc2n[nH]cc21)c1ccc(S(N)(=O)=O)cc1 ZINC000133168171 533266538 /nfs/dbraw/zinc/26/65/38/533266538.db2.gz UQAVJQZPMITZMJ-MFKMUULPSA-N 0 0 348.428 1.354 10 0 EDAERN COC(=O)C1CCC(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CC1 ZINC000180207882 533273435 /nfs/dbraw/zinc/27/34/35/533273435.db2.gz WINHBIBGGZHWRJ-GPANFISMSA-N 0 0 349.431 1.398 10 0 EDAERN O=C1[C@H](N2CCO[C@@H](c3cccc(O)c3)C2)CCN1C1CCOCC1 ZINC000328641649 140667000 /nfs/dbraw/zinc/66/70/00/140667000.db2.gz FRVFJAMVUDTWLU-QZTJIDSGSA-N 0 0 346.427 1.545 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000328784507 140675177 /nfs/dbraw/zinc/67/51/77/140675177.db2.gz VREXHBQDVWJAFU-AWEZNQCLSA-N 0 0 347.463 1.795 10 0 EDAERN CC1(C)CN(C(=O)c2ncoc2[C@H]2CCCO2)C[C@]2(CCOC2)O1 ZINC000330107428 140802726 /nfs/dbraw/zinc/80/27/26/140802726.db2.gz MBZZCGFOOPNEMR-PXAZEXFGSA-N 0 0 336.388 1.936 10 0 EDAERN O=C(CN1CCC[C@H](c2nnc[nH]2)C1)Nc1nc2c(s1)CCC2 ZINC000333015314 141250360 /nfs/dbraw/zinc/25/03/60/141250360.db2.gz BXFVARAXUULZLB-JTQLQIEISA-N 0 0 332.433 1.568 10 0 EDAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cnn2cccnc12 ZINC000333016704 141250429 /nfs/dbraw/zinc/25/04/29/141250429.db2.gz CIDJZEKMHUIFDZ-OLZOCXBDSA-N 0 0 327.388 1.250 10 0 EDAERN Cn1cncc1[C@H]1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)CCO1 ZINC000333422629 141315712 /nfs/dbraw/zinc/31/57/12/141315712.db2.gz IRMNWPASYJZCDE-IUODEOHRSA-N 0 0 340.387 1.352 10 0 EDAERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC(=O)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333427199 141316272 /nfs/dbraw/zinc/31/62/72/141316272.db2.gz KGAUEOVGQCHYBL-WGQNNRELSA-N 0 0 330.428 1.411 10 0 EDAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNc1cnc2c(n1)CCCC2 ZINC000333523047 141331361 /nfs/dbraw/zinc/33/13/61/141331361.db2.gz KYPLFGGQDTVOLD-OLZOCXBDSA-N 0 0 338.477 1.875 10 0 EDAERN CCn1cc([C@H](C)NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cn1 ZINC000333637197 141348598 /nfs/dbraw/zinc/34/85/98/141348598.db2.gz IEZBFUHTQBPRGT-SQWLQELKSA-N 0 0 335.452 1.469 10 0 EDAERN O=C(N1CCCC1)[C@]1(O)CCCN(c2ccc3c(n2)CCCC3=O)C1 ZINC000333689961 141358477 /nfs/dbraw/zinc/35/84/77/141358477.db2.gz MKMUWFVGECIRSZ-IBGZPJMESA-N 0 0 343.427 1.554 10 0 EDAERN COc1ccc(N2CCN(C(=O)C[C@H]3CCCCNC3=O)CC2)nc1 ZINC000333786257 141381539 /nfs/dbraw/zinc/38/15/39/141381539.db2.gz WLRXBSKVQCEDDV-CQSZACIVSA-N 0 0 346.431 1.045 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C12CCCC2 ZINC000150810679 286464870 /nfs/dbraw/zinc/46/48/70/286464870.db2.gz BFGJJUAWSNTQNL-CABCVRRESA-N 0 0 331.416 1.990 10 0 EDAERN CS[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247204607 286695222 /nfs/dbraw/zinc/69/52/22/286695222.db2.gz UPDRLRQMVYAATI-RRFJBIMHSA-N 0 0 327.494 1.777 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[C@H](OCC)C(C)C ZINC000074293262 287270163 /nfs/dbraw/zinc/27/01/63/287270163.db2.gz FLUVLEZYCJLUIS-CABCVRRESA-N 0 0 348.509 1.758 10 0 EDAERN CCC1CCC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000078594232 287294012 /nfs/dbraw/zinc/29/40/12/287294012.db2.gz VDXVUKLSGDXNPN-UHFFFAOYSA-N 0 0 329.400 1.775 10 0 EDAERN O=S(=O)(NCC1CC(O)C1)c1sccc1Br ZINC000084448476 287317755 /nfs/dbraw/zinc/31/77/55/287317755.db2.gz AUEXBSFORPOEOH-UHFFFAOYSA-N 0 0 326.237 1.560 10 0 EDAERN CCOc1ncccc1CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111814982 287338427 /nfs/dbraw/zinc/33/84/27/287338427.db2.gz FELNVKOXWLNDJQ-OAHLLOKOSA-N 0 0 345.403 1.287 10 0 EDAERN NC(=S)c1c(F)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000158151896 224959142 /nfs/dbraw/zinc/95/91/42/224959142.db2.gz IZNFBEZWUWIZDE-UWVGGRQHSA-N 0 0 328.434 1.881 10 0 EDAERN COCCn1ncc(Br)c1[C@@H](O)c1ccc(OC)nc1 ZINC000158419332 225010455 /nfs/dbraw/zinc/01/04/55/225010455.db2.gz YZIXKDFWQNJIGB-ZDUSSCGKSA-N 0 0 342.193 1.777 10 0 EDAERN Cc1nn(CCO)c(C)c1S(=O)(=O)N1CCSC(C)(C)C1 ZINC000159300783 225189513 /nfs/dbraw/zinc/18/95/13/225189513.db2.gz VBLBXSAMXFSQKZ-UHFFFAOYSA-N 0 0 333.479 1.008 10 0 EDAERN C[C@H](NC(=O)N1CCC(NC(N)=O)CC1)c1ccc(F)c(F)c1 ZINC000162206890 225771732 /nfs/dbraw/zinc/77/17/32/225771732.db2.gz USPUJMAIGHINPV-VIFPVBQESA-N 0 0 326.347 1.868 10 0 EDAERN C[C@H](CC[S@@](C)=O)NC(=O)c1sc(NC(C)(C)C)nc1N ZINC000163721024 226009433 /nfs/dbraw/zinc/00/94/33/226009433.db2.gz XNEVEEWXEJAANW-ZEDNOMKYSA-N 0 0 332.495 1.823 10 0 EDAERN C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)cnc2NN)C1 ZINC000164536216 226079004 /nfs/dbraw/zinc/07/90/04/226079004.db2.gz ZIWTXRXCROSNNQ-HTQZYQBOSA-N 0 0 349.254 1.549 10 0 EDAERN COCCN(CCO)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000164563169 226082807 /nfs/dbraw/zinc/08/28/07/226082807.db2.gz ZXHDPADCCGOONB-UHFFFAOYSA-N 0 0 327.324 1.425 10 0 EDAERN Cc1cc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc(N)c1Cl ZINC000164728749 226095817 /nfs/dbraw/zinc/09/58/17/226095817.db2.gz JZAQWMGRMMVHKI-UHFFFAOYSA-N 0 0 328.825 1.785 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc(N)c1Cl ZINC000164768411 226096630 /nfs/dbraw/zinc/09/66/30/226096630.db2.gz GEXPZPCPYQKTDZ-VIFPVBQESA-N 0 0 331.825 1.130 10 0 EDAERN Cc1cc(S(=O)(=O)NCCc2cnn(C)c2)cc(N)c1Cl ZINC000164784118 226099157 /nfs/dbraw/zinc/09/91/57/226099157.db2.gz NNAIFLHONGYTRP-UHFFFAOYSA-N 0 0 328.825 1.485 10 0 EDAERN C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(Br)cn1C1CC1 ZINC000167182937 226181870 /nfs/dbraw/zinc/18/18/70/226181870.db2.gz WRWOYMFVNHNFLK-SKDRFNHKSA-N 0 0 343.221 1.807 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)OC2CCOCC2)c1 ZINC000165111941 226110296 /nfs/dbraw/zinc/11/02/96/226110296.db2.gz HRBMSSMCMJEJOV-UHFFFAOYSA-N 0 0 337.756 1.462 10 0 EDAERN COCC[NH2+]C[C@@H]1CCCCN1c1nc[n-]c(=O)c1Br ZINC000165368024 226121793 /nfs/dbraw/zinc/12/17/93/226121793.db2.gz KLCGQDDCAUIYON-JTQLQIEISA-N 0 0 345.241 1.127 10 0 EDAERN Cc1c(N)cnc(N(C)CC(=O)NCC(C)C)c1Br ZINC000165617364 226130309 /nfs/dbraw/zinc/13/03/09/226130309.db2.gz GGLGGTKITALYFG-UHFFFAOYSA-N 0 0 329.242 1.943 10 0 EDAERN Nc1cc(Br)ccc1[S@](=O)CCN1CCOCC1 ZINC000165706971 226133783 /nfs/dbraw/zinc/13/37/83/226133783.db2.gz UPIUBTRAOAHABU-SFHVURJKSA-N 0 0 333.251 1.471 10 0 EDAERN COCCn1ncc(Br)c1[C@@H](NN)c1cccs1 ZINC000165870552 226138966 /nfs/dbraw/zinc/13/89/66/226138966.db2.gz UWZIYHFRYJANBG-JTQLQIEISA-N 0 0 331.239 1.906 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(N)c(Br)c2)CC[C@@H]1O ZINC000165995451 226144149 /nfs/dbraw/zinc/14/41/49/226144149.db2.gz NJUZUANWUOSMFP-PELKAZGASA-N 0 0 349.250 1.423 10 0 EDAERN Nc1cc(Br)cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000166006135 226144473 /nfs/dbraw/zinc/14/44/73/226144473.db2.gz SGPAPNDZFHSNCH-LLVKDONJSA-N 0 0 347.234 1.338 10 0 EDAERN C[C@@H](O)[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2Br)C1 ZINC000167646638 226195314 /nfs/dbraw/zinc/19/53/14/226195314.db2.gz NZOPQPYCMAYNMM-NXEZZACHSA-N 0 0 342.237 1.673 10 0 EDAERN O=C(/C=C/c1c(Cl)nc2sccn12)N1CCOC[C@@H]1CO ZINC000168541046 226216486 /nfs/dbraw/zinc/21/64/86/226216486.db2.gz HPLVUISAOOTIFV-VWCDRPFISA-N 0 0 327.793 1.282 10 0 EDAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1CO ZINC000168547525 226216821 /nfs/dbraw/zinc/21/68/21/226216821.db2.gz RIAOQNRIAVUJFK-ONGXEEELSA-N 0 0 334.199 1.980 10 0 EDAERN Cn1cnnc1CNc1cccc(Br)c1C(N)=S ZINC000168727271 226221115 /nfs/dbraw/zinc/22/11/15/226221115.db2.gz ZDIRJXCQIQBTAH-UHFFFAOYSA-N 0 0 326.223 1.824 10 0 EDAERN O=C1Cc2cc([C@H](O)[C@@H]3CCCCS3(=O)=O)c(Cl)cc2N1 ZINC000168921864 226228027 /nfs/dbraw/zinc/22/80/27/226228027.db2.gz WEKNOZCBNITGSS-JSGCOSHPSA-N 0 0 329.805 1.835 10 0 EDAERN O=S1(=O)C[C@H](Nc2cc(Cl)cc(C(F)(F)F)c2)[C@H](O)C1 ZINC000169089253 226231933 /nfs/dbraw/zinc/23/19/33/226231933.db2.gz GBDDHAYNTWIJGS-VHSXEESVSA-N 0 0 329.727 1.929 10 0 EDAERN Cc1cc(Br)c(NS(=O)(=O)c2ccnn2C)cc1N ZINC000169150984 226232653 /nfs/dbraw/zinc/23/26/53/226232653.db2.gz ZVEXJFNXFNWCHH-UHFFFAOYSA-N 0 0 345.222 1.874 10 0 EDAERN COCCOc1cccc(CC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000125022365 287402710 /nfs/dbraw/zinc/40/27/10/287402710.db2.gz BGMQCKTVBJNHOC-INIZCTEOSA-N 0 0 344.415 1.710 10 0 EDAERN COCCn1ccc(NC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)n1 ZINC000170877177 226779607 /nfs/dbraw/zinc/77/96/07/226779607.db2.gz NWDQGFROJZLZSA-CYBMUJFWSA-N 0 0 348.407 1.708 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCO[C@H](Cn3cc(C)cn3)C2)n1 ZINC000120729739 221657835 /nfs/dbraw/zinc/65/78/35/221657835.db2.gz JJLKBNNBDCADHQ-KGLIPLIRSA-N 0 0 335.408 1.573 10 0 EDAERN Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000121004935 221732114 /nfs/dbraw/zinc/73/21/14/221732114.db2.gz CEIRVGRDDWQWBS-VIFPVBQESA-N 0 0 342.193 1.074 10 0 EDAERN C[C@H](NCC(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000122543174 222109295 /nfs/dbraw/zinc/10/92/95/222109295.db2.gz RCCFHROULKRQFD-JTQLQIEISA-N 0 0 339.442 1.836 10 0 EDAERN CCC[C@@](C)(CO)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122636675 222129075 /nfs/dbraw/zinc/12/90/75/222129075.db2.gz IDVYKHGOVPOENC-ABAIWWIYSA-N 0 0 325.413 1.110 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000123335497 222258341 /nfs/dbraw/zinc/25/83/41/222258341.db2.gz DPPOBFOHZHJJAA-LBPRGKRZSA-N 0 0 334.420 1.570 10 0 EDAERN CCn1cc(C2CCN(C(=O)C(=O)c3c(C)nn(C)c3C)CC2)cn1 ZINC000123905740 222350145 /nfs/dbraw/zinc/35/01/45/222350145.db2.gz CRJBNRSUYUVOAG-UHFFFAOYSA-N 0 0 343.431 1.842 10 0 EDAERN O=C(c1cc(C2CC2)n[nH]1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171558491 227138719 /nfs/dbraw/zinc/13/87/19/227138719.db2.gz BREBABCCCTVJKL-SFHVURJKSA-N 0 0 340.427 1.779 10 0 EDAERN O=C(Cc1cn2ccccc2n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883125 227332806 /nfs/dbraw/zinc/33/28/06/227332806.db2.gz XDNAFHIPGPAWNK-HNNXBMFYSA-N 0 0 325.372 1.001 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)c3ccccn3)C2)c1 ZINC000172542473 227753355 /nfs/dbraw/zinc/75/33/55/227753355.db2.gz YFBZLAKLIBVORX-AWEZNQCLSA-N 0 0 327.388 1.180 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC000191493372 272979792 /nfs/dbraw/zinc/97/97/92/272979792.db2.gz KBHLVQLIXRMSAY-UHFFFAOYSA-N 0 0 328.393 1.940 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1cccc(N(C)C)c1)CC2 ZINC000194317091 273002361 /nfs/dbraw/zinc/00/23/61/273002361.db2.gz QFPFVRNLBDCDHX-OAHLLOKOSA-N 0 0 341.459 1.970 10 0 EDAERN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CNC(=O)C1 ZINC000194781173 273006310 /nfs/dbraw/zinc/00/63/10/273006310.db2.gz LPRRWGKNLCHNLE-HNNXBMFYSA-N 0 0 326.400 1.301 10 0 EDAERN CNC(=O)CN(CC(=O)NC)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000031469718 267385548 /nfs/dbraw/zinc/38/55/48/267385548.db2.gz ZFPRZTBLCSBMSV-JTQLQIEISA-N 0 0 347.337 1.440 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC000178398601 267561043 /nfs/dbraw/zinc/56/10/43/267561043.db2.gz ABMXEJFHNRZUPR-LSDHHAIUSA-N 0 0 337.395 1.679 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)C(C)C ZINC000178844942 267593030 /nfs/dbraw/zinc/59/30/30/267593030.db2.gz ILIKSJHDXWLXDS-USXIJHARSA-N 0 0 345.443 1.483 10 0 EDAERN O=S(=O)(Cc1c(F)cccc1F)N1CCC[C@H](n2cncn2)C1 ZINC000163979357 272931789 /nfs/dbraw/zinc/93/17/89/272931789.db2.gz FNSBSJHCCWANAD-NSHDSACASA-N 0 0 342.371 1.723 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCCCN1CCOCC1)CC2 ZINC000176752158 272938660 /nfs/dbraw/zinc/93/86/60/272938660.db2.gz QJLPPXLCBLMRKO-HNNXBMFYSA-N 0 0 349.479 1.335 10 0 EDAERN COC(=O)[C@](C)(CNC(=O)N[C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000249294453 287794707 /nfs/dbraw/zinc/79/47/07/287794707.db2.gz MUCLIRGWSBIMGU-DDUZABMNSA-N 0 0 334.416 1.984 10 0 EDAERN CC(C)c1cc(C(=O)N2CCCN(c3cccnn3)CC2)nn1C ZINC000174197270 276044032 /nfs/dbraw/zinc/04/40/32/276044032.db2.gz FMFFIVZSXFUKJN-UHFFFAOYSA-N 0 0 328.420 1.686 10 0 EDAERN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCn3nc(C)nc32)ccc1F ZINC000081582483 277063108 /nfs/dbraw/zinc/06/31/08/277063108.db2.gz GERKKQJGGFEGGH-CYBMUJFWSA-N 0 0 331.351 1.949 10 0 EDAERN CC(=O)Nc1cccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C ZINC000188581353 277085446 /nfs/dbraw/zinc/08/54/46/277085446.db2.gz MYEDQWJRBYJEAN-ACJLOTCBSA-N 0 0 345.443 1.746 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000189299234 278072825 /nfs/dbraw/zinc/07/28/25/278072825.db2.gz OTYZYUMGOIJIQJ-BPQIPLTHSA-N 0 0 330.428 1.949 10 0 EDAERN C[C@@]1(C(=O)N2CCN3CCCC[C@@H]3C2)Cc2ccccc2C(=O)O1 ZINC000195067141 279152296 /nfs/dbraw/zinc/15/22/96/279152296.db2.gz KGPUAFWTMQEIIL-BEFAXECRSA-N 0 0 328.412 1.855 10 0 EDAERN C[C@H]1CN(C(=O)NC2Cc3ccccc3C2)C[C@H]1N1CCOCC1 ZINC000184935110 279795539 /nfs/dbraw/zinc/79/55/39/279795539.db2.gz FVNXXMKLEUCZDX-KBXCAEBGSA-N 0 0 329.444 1.516 10 0 EDAERN CCS(=O)(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232210 280013081 /nfs/dbraw/zinc/01/30/81/280013081.db2.gz RYEVWLOLDPRVHO-ZDUSSCGKSA-N 0 0 334.482 1.464 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC(C)(C)N2CCOCC2)C[C@]12CCCO2 ZINC000333957484 280043662 /nfs/dbraw/zinc/04/36/62/280043662.db2.gz IDEWUGCCUJTXNU-MAUKXSAKSA-N 0 0 339.480 1.696 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@]12CCCO2 ZINC000334010885 280045928 /nfs/dbraw/zinc/04/59/28/280045928.db2.gz VNVGMRRHAGXSJS-OFQRWUPVSA-N 0 0 344.477 1.553 10 0 EDAERN CC(C)[C@@H]1N(S(=O)(=O)c2cnc3n2CCC3)C[C@]12CCCO2 ZINC000328858133 280065754 /nfs/dbraw/zinc/06/57/54/280065754.db2.gz URDMMWICRNZICZ-LSDHHAIUSA-N 0 0 325.434 1.407 10 0 EDAERN CC(C)[C@H]1N(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)C[C@@]12CCCO2 ZINC000329488947 280462653 /nfs/dbraw/zinc/46/26/53/280462653.db2.gz YEUAUDTXPYOITI-ADAWSYLGSA-N 0 0 333.432 1.914 10 0 EDAERN CC1(C)CN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CCO1 ZINC000079015651 281187680 /nfs/dbraw/zinc/18/76/80/281187680.db2.gz HPCGOMOSBOOGFI-ZDUSSCGKSA-N 0 0 338.429 1.726 10 0 EDAERN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)o1)C2 ZINC000071278715 288752565 /nfs/dbraw/zinc/75/25/65/288752565.db2.gz HRRFFWYYHWAFJM-SNVBAGLBSA-N 0 0 346.387 1.201 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1F ZINC000171400084 295156977 /nfs/dbraw/zinc/15/69/77/295156977.db2.gz APOBTHPQTDTNIW-AWEZNQCLSA-N 0 0 346.362 1.870 10 0 EDAERN C[C@H](CC(=O)NCC(F)(F)CN)S(=O)(=O)c1ccc(F)cc1 ZINC000190294550 298299784 /nfs/dbraw/zinc/29/97/84/298299784.db2.gz VVNZAJOWEHJPEM-SECBINFHSA-N 0 0 338.351 1.088 10 0 EDAERN O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174034176 304747923 /nfs/dbraw/zinc/74/79/23/304747923.db2.gz BBCMZUUHGWENKT-DJIMGWMZSA-N 0 0 339.457 1.941 10 0 EDAERN Cc1ccc(S(=O)(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000095090159 301660172 /nfs/dbraw/zinc/66/01/72/301660172.db2.gz QWZVZZOQPRHIFD-GFCCVEGCSA-N 0 0 341.433 1.958 10 0 EDAERN O=C(Cc1ccc2c(c1)OCc1ccccc1C2=O)OC[C@H](O)CO ZINC000002000400 440856147 /nfs/dbraw/zinc/85/61/47/440856147.db2.gz MLBJASFXUVNGLK-CQSZACIVSA-N 0 0 342.347 1.249 10 0 EDAERN COc1cc2[nH]c(=O)n(CCc3ccccc3)c(=O)c2cc1OC ZINC000000427314 440821466 /nfs/dbraw/zinc/82/14/66/440821466.db2.gz JANFEOXENKZIAZ-UHFFFAOYSA-N 0 0 326.352 1.950 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(F)c1 ZINC000045363242 440979823 /nfs/dbraw/zinc/97/98/23/440979823.db2.gz WFSQGHRRNSTRRN-CQSZACIVSA-N 0 0 328.409 1.646 10 0 EDAERN CCN1CCN(CC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)C(=O)C1=O ZINC000045882928 441054240 /nfs/dbraw/zinc/05/42/40/441054240.db2.gz UNMRMUUJINAQSO-AWEZNQCLSA-N 0 0 345.443 1.678 10 0 EDAERN COc1ccc(COc2ccc(-c3nnn(CCO)n3)cc2)cc1 ZINC000013744464 441166025 /nfs/dbraw/zinc/16/60/25/441166025.db2.gz LSPRSFLQIBYIMR-UHFFFAOYSA-N 0 0 326.356 1.920 10 0 EDAERN O=C(CNc1ccc(C(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000015291557 441199381 /nfs/dbraw/zinc/19/93/81/441199381.db2.gz KYARSVNOKNMJQD-NSHDSACASA-N 0 0 336.335 1.421 10 0 EDAERN O=C1CCCCCN1CCCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000105786266 441269163 /nfs/dbraw/zinc/26/91/63/441269163.db2.gz YVFNTEJIYVKGMM-HNNXBMFYSA-N 0 0 347.463 1.642 10 0 EDAERN O=C(CN1CCCN(c2cccnn2)CC1)NCc1ccccc1F ZINC000105798925 441273212 /nfs/dbraw/zinc/27/32/12/441273212.db2.gz GGBOZTZMJJAPMH-UHFFFAOYSA-N 0 0 343.406 1.444 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3CCCCCC3)CC2)nn1 ZINC000105800817 441273875 /nfs/dbraw/zinc/27/38/75/441273875.db2.gz OWPDCVNCZDJPBN-UHFFFAOYSA-N 0 0 331.464 1.700 10 0 EDAERN Cc1ncc(CN2CCN(CC(=O)N3CCC[C@@H](C)C3)CC2)s1 ZINC000105813932 441276839 /nfs/dbraw/zinc/27/68/39/441276839.db2.gz KIPQCHQMHLLENS-CQSZACIVSA-N 0 0 336.505 1.828 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000105834664 441287729 /nfs/dbraw/zinc/28/77/29/441287729.db2.gz NVOPFROXXFPNRD-HNNXBMFYSA-N 0 0 347.459 1.870 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 ZINC000105861901 441292992 /nfs/dbraw/zinc/29/29/92/441292992.db2.gz VFHHSSSZCSYQFF-UHFFFAOYSA-N 0 0 342.399 1.975 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081588601 441293470 /nfs/dbraw/zinc/29/34/70/441293470.db2.gz HYDTUFBUUUOQCH-CYBMUJFWSA-N 0 0 334.401 1.255 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1ccc(F)c(F)c1 ZINC000048841095 441334586 /nfs/dbraw/zinc/33/45/86/441334586.db2.gz MEHNGKRHRFTZFS-SECBINFHSA-N 0 0 347.321 1.880 10 0 EDAERN CCOc1ccc(C(=O)N2CCN(C[C@H](O)CC)CC2)cc1OC ZINC000106393629 441337578 /nfs/dbraw/zinc/33/75/78/441337578.db2.gz RPJGVUVCSHJRBT-OAHLLOKOSA-N 0 0 336.432 1.623 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cn2c(C)cc3ccccc32)CC1 ZINC000106396394 441337962 /nfs/dbraw/zinc/33/79/62/441337962.db2.gz QKIKBSQZOXVETG-KRWDZBQOSA-N 0 0 329.444 1.865 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1 ZINC000106395472 441338227 /nfs/dbraw/zinc/33/82/27/441338227.db2.gz UWPHOZHPYCFHOX-DZGCQCFKSA-N 0 0 331.416 1.028 10 0 EDAERN C[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)c1nc(C(C)(C)C)no1 ZINC000073652610 441340137 /nfs/dbraw/zinc/34/01/37/441340137.db2.gz MQQSFKCESOVQOH-NWDGAFQWSA-N 0 0 339.440 1.448 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1ccccc1 ZINC000048344743 441296808 /nfs/dbraw/zinc/29/68/08/441296808.db2.gz YFPYHZKBQSIJFC-SWLSCSKDSA-N 0 0 344.367 1.819 10 0 EDAERN COc1ccc(O)c(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000105867898 441297371 /nfs/dbraw/zinc/29/73/71/441297371.db2.gz IVBNUKREHBNIFS-UHFFFAOYSA-N 0 0 328.372 1.543 10 0 EDAERN C[C@@H](C(=O)Nc1ccccc1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868981 441298576 /nfs/dbraw/zinc/29/85/76/441298576.db2.gz CRYDRCCENLEWGM-INIZCTEOSA-N 0 0 341.459 1.955 10 0 EDAERN Cn1cc(CN2CCCN(CC(=O)NCc3ccccc3)CC2)cn1 ZINC000105869199 441300687 /nfs/dbraw/zinc/30/06/87/441300687.db2.gz PRDSGVHRJSTBHT-UHFFFAOYSA-N 0 0 341.459 1.244 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)N(CC(C)C)C3CC3)CCO2)n1 ZINC000105893842 441311198 /nfs/dbraw/zinc/31/11/98/441311198.db2.gz AJMPYNVLVJWXFC-SFHVURJKSA-N 0 0 348.491 1.848 10 0 EDAERN COCCN1CCN(CC(=O)N(C)Cc2ccc(OC)cc2)C[C@H]1C ZINC000105913836 441314488 /nfs/dbraw/zinc/31/44/88/441314488.db2.gz FFJCPEHJHZTVLH-MRXNPFEDSA-N 0 0 349.475 1.306 10 0 EDAERN C[C@H](C(=O)N1CCCCCC1)N1CCN(Cc2nccn2C)[C@H](C)C1 ZINC000106660201 441362345 /nfs/dbraw/zinc/36/23/45/441362345.db2.gz YVRPJFVYDBODQD-IAGOWNOFSA-N 0 0 347.507 1.717 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(C)cc1C ZINC000083754881 441374959 /nfs/dbraw/zinc/37/49/59/441374959.db2.gz PAVFZJSODYRPTM-AWEZNQCLSA-N 0 0 327.388 1.793 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@](C)(O)c1ccsc1 ZINC000083750198 441375256 /nfs/dbraw/zinc/37/52/56/441375256.db2.gz MLZTUSDCJGJASY-IUODEOHRSA-N 0 0 335.433 1.690 10 0 EDAERN CCO[C@H](CCNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)C(C)C ZINC000074293656 441418291 /nfs/dbraw/zinc/41/82/91/441418291.db2.gz ZINAPPUDADUPEX-HZPDHXFCSA-N 0 0 335.448 1.833 10 0 EDAERN CCCOc1ccc(CNC(=O)N2CCC[C@@H](NC(C)=O)C2)cn1 ZINC000107756612 441429071 /nfs/dbraw/zinc/42/90/71/441429071.db2.gz IMFNWYWDMJDOCP-OAHLLOKOSA-N 0 0 334.420 1.681 10 0 EDAERN C[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccc2c(c1)OCCO2 ZINC000087003136 441475392 /nfs/dbraw/zinc/47/53/92/441475392.db2.gz AFATZTLLHQMUED-JTQLQIEISA-N 0 0 329.356 1.386 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1ccsc1 ZINC000087249801 441484987 /nfs/dbraw/zinc/48/49/87/441484987.db2.gz NNIMPSBBVDMWJM-RYUDHWBXSA-N 0 0 335.433 1.770 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N2CCCC2)nn1 ZINC000087563263 441494119 /nfs/dbraw/zinc/49/41/19/441494119.db2.gz HPGOHUJBBNUKBR-LBPRGKRZSA-N 0 0 341.419 1.496 10 0 EDAERN C[C@@H]1CCCN(c2cc(NCC(C)(C)NS(C)(=O)=O)ncn2)C1 ZINC000109321799 441495791 /nfs/dbraw/zinc/49/57/91/441495791.db2.gz LWWKSNNWXBKTPF-GFCCVEGCSA-N 0 0 341.481 1.453 10 0 EDAERN Nc1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)n1 ZINC000031425132 441525734 /nfs/dbraw/zinc/52/57/34/441525734.db2.gz HTVVZQSPJYVEDP-BHDSKKPTSA-N 0 0 335.433 1.328 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NC[C@H]3Cc4ccccc43)CCO2)c1 ZINC000112135300 441544465 /nfs/dbraw/zinc/54/44/65/441544465.db2.gz MVIUWIMTABOFEX-IAGOWNOFSA-N 0 0 340.427 1.942 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000075981151 441574574 /nfs/dbraw/zinc/57/45/74/441574574.db2.gz LXMVKFXXZCVYQH-JOYOIKCWSA-N 0 0 331.825 1.326 10 0 EDAERN Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000033048582 441586211 /nfs/dbraw/zinc/58/62/11/441586211.db2.gz GCXUWEJKABJXJX-UHFFFAOYSA-N 0 0 342.355 1.603 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000076099604 441598208 /nfs/dbraw/zinc/59/82/08/441598208.db2.gz GHVDFGPTNCSKCA-OIBJUYFYSA-N 0 0 344.152 1.754 10 0 EDAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113894553 441626775 /nfs/dbraw/zinc/62/67/75/441626775.db2.gz ZZPDQNYCPDYFLR-CQSZACIVSA-N 0 0 325.372 1.807 10 0 EDAERN COc1ccccc1CN1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000076497426 441652636 /nfs/dbraw/zinc/65/26/36/441652636.db2.gz ILEIPGWYGJFMIE-QGZVFWFLSA-N 0 0 336.476 1.989 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000076560557 441659253 /nfs/dbraw/zinc/65/92/53/441659253.db2.gz UKBMJZXDJJILOL-OAHLLOKOSA-N 0 0 340.383 1.962 10 0 EDAERN NC(=O)c1ccc(Nc2ncc(C(N)=O)c(NC3CCC3)n2)cc1 ZINC000114481860 441662798 /nfs/dbraw/zinc/66/27/98/441662798.db2.gz ARZOHYMLPRJOJP-UHFFFAOYSA-N 0 0 326.360 1.382 10 0 EDAERN CS(=O)(=O)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 ZINC000114486135 441663050 /nfs/dbraw/zinc/66/30/50/441663050.db2.gz DVAUUTROCVYAHA-UHFFFAOYSA-N 0 0 347.400 1.297 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000041916511 441684337 /nfs/dbraw/zinc/68/43/37/441684337.db2.gz NRSVGRIKGPUFFR-JOYOIKCWSA-N 0 0 326.780 1.971 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(C)ccc1F)CC2 ZINC000114874499 441694570 /nfs/dbraw/zinc/69/45/70/441694570.db2.gz SZVBJUVONAYBQU-LLVKDONJSA-N 0 0 338.408 1.581 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC2(Cl)Cl)ncn1 ZINC000173421084 441743539 /nfs/dbraw/zinc/74/35/39/441743539.db2.gz UEKHRMSTAMTROO-ZJUUUORDSA-N 0 0 344.246 1.797 10 0 EDAERN CCCCO[C@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173422219 441746006 /nfs/dbraw/zinc/74/60/06/441746006.db2.gz DOQQJCGHRYEVHP-ZIAGYGMSSA-N 0 0 335.452 1.809 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(C)noc2C)ncn1 ZINC000173430333 441746869 /nfs/dbraw/zinc/74/68/69/441746869.db2.gz CPBLWBAQROYUKO-GFCCVEGCSA-N 0 0 330.392 1.522 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2sccc2OC)ncn1 ZINC000173441887 441752530 /nfs/dbraw/zinc/75/25/30/441752530.db2.gz WZJWGTRPKTZMLU-LLVKDONJSA-N 0 0 347.444 1.987 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Cl)n2)ncn1 ZINC000173447447 441753938 /nfs/dbraw/zinc/75/39/38/441753938.db2.gz KDFFHSOLCFBPSI-NSHDSACASA-N 0 0 346.822 1.966 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H](O)c3ccccc3)C2=O)n(C)n1 ZINC000173450291 441755545 /nfs/dbraw/zinc/75/55/45/441755545.db2.gz AFSQBWNCNUSRBG-GDBMZVCRSA-N 0 0 342.399 1.074 10 0 EDAERN CC(C)c1nnc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)s1 ZINC000137284875 441762278 /nfs/dbraw/zinc/76/22/78/441762278.db2.gz GOUGKKIJRKYQRU-LBPRGKRZSA-N 0 0 349.464 1.604 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1nnc2n1CCCC2 ZINC000121721728 441765365 /nfs/dbraw/zinc/76/53/65/441765365.db2.gz JOYDKLFWNNZOEZ-VIFPVBQESA-N 0 0 342.371 1.932 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)CCO2)[nH]1 ZINC000173542029 441785080 /nfs/dbraw/zinc/78/50/80/441785080.db2.gz KSLUEZKANVNKOX-SNVBAGLBSA-N 0 0 341.293 1.741 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)CCO2)[nH]1 ZINC000173600835 441802381 /nfs/dbraw/zinc/80/23/81/441802381.db2.gz YABYKTRMGUIDQV-LSDHHAIUSA-N 0 0 341.371 1.206 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CCO2)[nH]1 ZINC000173610864 441803841 /nfs/dbraw/zinc/80/38/41/441803841.db2.gz KUHAHPHELLWLJX-GFCCVEGCSA-N 0 0 345.403 1.728 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)NC3CCC4(CC3)OCCO4)C2)cn1 ZINC000116317259 441810788 /nfs/dbraw/zinc/81/07/88/441810788.db2.gz QRFMCQGFXNUDFY-AWEZNQCLSA-N 0 0 348.447 1.011 10 0 EDAERN COc1ccc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000116316553 441811363 /nfs/dbraw/zinc/81/13/63/441811363.db2.gz DGCXWTZAIDLDCN-CYBMUJFWSA-N 0 0 344.415 1.865 10 0 EDAERN Cc1cccc(OCCNC(=O)CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116323932 441812603 /nfs/dbraw/zinc/81/26/03/441812603.db2.gz INFZGZWMJHDZRS-INIZCTEOSA-N 0 0 342.443 1.713 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116322032 441813065 /nfs/dbraw/zinc/81/30/65/441813065.db2.gz PRORRFAMIWTREY-AWEZNQCLSA-N 0 0 341.415 1.807 10 0 EDAERN C[S@](=O)CCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000116901638 441858863 /nfs/dbraw/zinc/85/88/63/441858863.db2.gz JUORVALUZVBKER-UHBVIIIMSA-N 0 0 335.491 1.070 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CC[C@@H](N3CCOCC3)C2)c1C ZINC000173990825 441874686 /nfs/dbraw/zinc/87/46/86/441874686.db2.gz RMWWZUHXMYLSLW-OAHLLOKOSA-N 0 0 333.432 1.423 10 0 EDAERN C[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)c1cccc(-n2ccnc2)c1 ZINC000173965359 441869550 /nfs/dbraw/zinc/86/95/50/441869550.db2.gz SOHAXADIWGQKMH-ZIAGYGMSSA-N 0 0 335.429 1.889 10 0 EDAERN O=C(NCCCOC1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173767744 441837708 /nfs/dbraw/zinc/83/77/08/441837708.db2.gz KQXPJZTWUGASOW-MRXNPFEDSA-N 0 0 339.480 1.842 10 0 EDAERN COc1ccnc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000116775511 441842045 /nfs/dbraw/zinc/84/20/45/441842045.db2.gz GBDFDVKHKOQVNU-AWEZNQCLSA-N 0 0 329.404 1.851 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1c(C)noc1C ZINC000119295515 441926467 /nfs/dbraw/zinc/92/64/67/441926467.db2.gz KHMZILLPSJYCHK-ZDUSSCGKSA-N 0 0 332.408 1.822 10 0 EDAERN COc1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1F ZINC000174004461 441877249 /nfs/dbraw/zinc/87/72/49/441877249.db2.gz NJLGEPSZJHRRMT-ZDUSSCGKSA-N 0 0 333.367 1.973 10 0 EDAERN COCCOc1cccc(CC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000125022526 441975364 /nfs/dbraw/zinc/97/53/64/441975364.db2.gz BGMQCKTVBJNHOC-MRXNPFEDSA-N 0 0 344.415 1.710 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000174875594 441977729 /nfs/dbraw/zinc/97/77/29/441977729.db2.gz IHAUAXZWBMANNL-UHFFFAOYSA-N 0 0 348.491 1.766 10 0 EDAERN FC(F)(F)c1cc(NCCCCn2cnnc2)n2ncnc2n1 ZINC000078509736 441939569 /nfs/dbraw/zinc/93/95/69/441939569.db2.gz WYIHABPEVXEMAL-UHFFFAOYSA-N 0 0 326.286 1.627 10 0 EDAERN CC(C)S(=O)(=O)CCCN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000119996871 441991446 /nfs/dbraw/zinc/99/14/46/441991446.db2.gz HFXUUCWKDNTUJH-HNNXBMFYSA-N 0 0 340.493 1.591 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3cn(CC(=O)C(C)(C)C)nn3)C2)cn1 ZINC000174913148 441982328 /nfs/dbraw/zinc/98/23/28/441982328.db2.gz ILFIRGNXMYAOLC-GFCCVEGCSA-N 0 0 344.419 1.257 10 0 EDAERN Cc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000175114362 442005743 /nfs/dbraw/zinc/00/57/43/442005743.db2.gz XSUDUSKDIDQOLB-ZIAGYGMSSA-N 0 0 329.404 1.668 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H](CO)C1)C(C)C ZINC000120088555 442006060 /nfs/dbraw/zinc/00/60/60/442006060.db2.gz NNNWAOBDKIFDQE-YOEHRIQHSA-N 0 0 348.443 1.681 10 0 EDAERN C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1ccc(F)cc1 ZINC000175113457 442006509 /nfs/dbraw/zinc/00/65/09/442006509.db2.gz NYHZVHOUCROEPH-YPMHNXCESA-N 0 0 333.367 1.499 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000175120452 442007682 /nfs/dbraw/zinc/00/76/82/442007682.db2.gz IJIOWXNQPFRTNL-CQSZACIVSA-N 0 0 329.466 1.837 10 0 EDAERN CC[C@H](COC)NC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000175177745 442011760 /nfs/dbraw/zinc/01/17/60/442011760.db2.gz IUJBBSNXBQICQF-CYBMUJFWSA-N 0 0 325.413 1.020 10 0 EDAERN CCN(CCc1nccs1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000161716985 442027070 /nfs/dbraw/zinc/02/70/70/442027070.db2.gz ZPTGCOXMPSBELW-ZDUSSCGKSA-N 0 0 326.466 1.438 10 0 EDAERN Cc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c(=O)[nH]n(C)c2n1 ZINC000120210555 442029019 /nfs/dbraw/zinc/02/90/19/442029019.db2.gz XHVVDUDJFTZJSN-XIKOKIGWSA-N 0 0 344.415 1.337 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)N[C@@H]3CCOc4ccccc43)CCO2)[nH]1 ZINC000175302560 442036364 /nfs/dbraw/zinc/03/63/64/442036364.db2.gz WZGCUCZHBAGMAU-UKRRQHHQSA-N 0 0 343.387 1.720 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCN(C)c3ccccc3)CCO2)[nH]1 ZINC000175335304 442043442 /nfs/dbraw/zinc/04/34/42/442043442.db2.gz PBQAUUKUWPXFAT-OAHLLOKOSA-N 0 0 344.419 1.332 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)c1cccs1 ZINC000125881483 442057952 /nfs/dbraw/zinc/05/79/52/442057952.db2.gz GCKSXPHHHKDJCN-NSHDSACASA-N 0 0 344.458 1.251 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000151441445 442063474 /nfs/dbraw/zinc/06/34/74/442063474.db2.gz YFQQAMUUEDCLCG-KXBFYZLASA-N 0 0 346.427 1.708 10 0 EDAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)s1 ZINC000126288251 442096356 /nfs/dbraw/zinc/09/63/56/442096356.db2.gz KOJKAKQMQGPINR-ZWNOBZJWSA-N 0 0 346.474 1.273 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC1(C2CC2)CC1 ZINC000120479715 442080009 /nfs/dbraw/zinc/08/00/09/442080009.db2.gz FUCGKJBCCUWXIW-NSHDSACASA-N 0 0 347.440 1.420 10 0 EDAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)s1 ZINC000126287847 442095960 /nfs/dbraw/zinc/09/59/60/442095960.db2.gz KOJKAKQMQGPINR-MFKMUULPSA-N 0 0 346.474 1.273 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@](C)(O)c1cccs1)CC2 ZINC000120523349 442088566 /nfs/dbraw/zinc/08/85/66/442088566.db2.gz IQRGQQMSOJFPDA-BZNIZROVSA-N 0 0 349.460 1.424 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000120837667 442140139 /nfs/dbraw/zinc/14/01/39/442140139.db2.gz YJURMMPTUBOIKF-HZPDHXFCSA-N 0 0 342.443 1.640 10 0 EDAERN NC(=O)NC1CCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000163058197 442140529 /nfs/dbraw/zinc/14/05/29/442140529.db2.gz CBTOTTVUXHNZMF-KOLCDFICSA-N 0 0 336.358 1.950 10 0 EDAERN CCOc1cc(/C=C2/SC(=N)N(c3nonc3N)C2=O)ccc1O ZINC000096602804 442147261 /nfs/dbraw/zinc/14/72/61/442147261.db2.gz HXNOVJDHCKSUQI-RLFQOPDSSA-N 0 0 347.356 1.812 10 0 EDAERN CC(C)COCCCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175639502 442098127 /nfs/dbraw/zinc/09/81/27/442098127.db2.gz QDZCGHIJVNRZMU-HOTGVXAUSA-N 0 0 327.469 1.411 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC1CCC2(CC1)OCCO2 ZINC000175663839 442101147 /nfs/dbraw/zinc/10/11/47/442101147.db2.gz JARYGADWEABCDR-CYBMUJFWSA-N 0 0 335.408 1.406 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1cc(C)ccc1F ZINC000127073541 442168118 /nfs/dbraw/zinc/16/81/18/442168118.db2.gz PAGUXXCVAVMFJJ-ZDUSSCGKSA-N 0 0 348.378 1.902 10 0 EDAERN COCCN1CCN(C(=O)c2occc2Br)C[C@H]1C ZINC000176097750 442175737 /nfs/dbraw/zinc/17/57/37/442175737.db2.gz ZNPLIQJYMVYNII-SNVBAGLBSA-N 0 0 331.210 1.835 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176101479 442176140 /nfs/dbraw/zinc/17/61/40/442176140.db2.gz BYZHSXVQRWATHI-GFCCVEGCSA-N 0 0 333.779 1.830 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000176282036 442204583 /nfs/dbraw/zinc/20/45/83/442204583.db2.gz NHKDMKKEYWIHNV-ZDUSSCGKSA-N 0 0 349.341 1.246 10 0 EDAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000176185885 442186957 /nfs/dbraw/zinc/18/69/57/442186957.db2.gz GWNSGQMVOJRTJZ-OAHLLOKOSA-N 0 0 348.353 1.582 10 0 EDAERN C[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCSCC1 ZINC000152266042 442190846 /nfs/dbraw/zinc/19/08/46/442190846.db2.gz ODLOGMUUAGCXMB-ZDUSSCGKSA-N 0 0 335.477 1.317 10 0 EDAERN COC(=O)[C@@H](N[C@@H]1CCc2nc(C(C)C)nn2C1)c1cccnc1 ZINC000152304192 442195714 /nfs/dbraw/zinc/19/57/14/442195714.db2.gz MUIVAXNSIKCRPM-HIFRSBDPSA-N 0 0 329.404 1.615 10 0 EDAERN COC(=O)[C@@H](N[C@H]1CCc2nc(C(C)C)nn2C1)c1cccnc1 ZINC000152304285 442195726 /nfs/dbraw/zinc/19/57/26/442195726.db2.gz MUIVAXNSIKCRPM-ZFWWWQNUSA-N 0 0 329.404 1.615 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000152319121 442197817 /nfs/dbraw/zinc/19/78/17/442197817.db2.gz BQIXPKJEQGFSGY-UHFFFAOYSA-N 0 0 347.463 1.472 10 0 EDAERN Cn1nnc2cc(C(=O)N3CCC[C@H](Cn4cncn4)C3)ccc21 ZINC000127392671 442199456 /nfs/dbraw/zinc/19/94/56/442199456.db2.gz JWFZHRGBUZYPKO-LBPRGKRZSA-N 0 0 325.376 1.112 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCN1CCOC ZINC000152339204 442199644 /nfs/dbraw/zinc/19/96/44/442199644.db2.gz XSEUVVCIVIQQKN-INIZCTEOSA-N 0 0 343.431 1.450 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000121290265 442200064 /nfs/dbraw/zinc/20/00/64/442200064.db2.gz SEFYTGTUCYECEZ-CQSZACIVSA-N 0 0 331.416 1.876 10 0 EDAERN CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000175963954 442155043 /nfs/dbraw/zinc/15/50/43/442155043.db2.gz INIHZALVUPRYIX-HOCLYGCPSA-N 0 0 336.407 1.916 10 0 EDAERN O=C(c1cccc2c1OCCO2)N1CCC[C@H](Cn2cncn2)C1 ZINC000126947179 442157148 /nfs/dbraw/zinc/15/71/48/442157148.db2.gz GBURYRDEACZYHZ-ZDUSSCGKSA-N 0 0 328.372 1.602 10 0 EDAERN O=C(CNC(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)NCC1CC1 ZINC000163311549 442157772 /nfs/dbraw/zinc/15/77/72/442157772.db2.gz GSXNNRUQONBENG-CYBMUJFWSA-N 0 0 346.435 1.097 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000126964878 442158027 /nfs/dbraw/zinc/15/80/27/442158027.db2.gz BGVWWGBRNDJWCJ-NSHDSACASA-N 0 0 349.435 1.849 10 0 EDAERN COc1ccc(C)nc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000128211307 442252140 /nfs/dbraw/zinc/25/21/40/442252140.db2.gz VQJRCVFSUNHXKQ-JSGCOSHPSA-N 0 0 334.420 1.583 10 0 EDAERN COc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c(OC)c1 ZINC000127551076 442210652 /nfs/dbraw/zinc/21/06/52/442210652.db2.gz AHFJPLIADXVWGT-CYBMUJFWSA-N 0 0 330.388 1.848 10 0 EDAERN Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)cnn1-c1cc(C)ccc1C ZINC000121396102 442212060 /nfs/dbraw/zinc/21/20/60/442212060.db2.gz PGSDFNREOMNEKQ-MRXNPFEDSA-N 0 0 342.443 1.858 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(Cc3c(C)nn(C)c3OC)CC2)n1 ZINC000121396262 442212066 /nfs/dbraw/zinc/21/20/66/442212066.db2.gz VNIUNUZTPDQWNP-CYBMUJFWSA-N 0 0 348.451 1.561 10 0 EDAERN C[C@H](NC(=O)NCCN1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000127688208 442219483 /nfs/dbraw/zinc/21/94/83/442219483.db2.gz FFDBLOGGNVZGQU-JTQLQIEISA-N 0 0 347.387 1.361 10 0 EDAERN CCCc1noc(CCCC(=O)N2CCC[C@H](Cn3cncn3)C2)n1 ZINC000127762154 442223975 /nfs/dbraw/zinc/22/39/75/442223975.db2.gz RWDOCMCTFPVOLY-AWEZNQCLSA-N 0 0 346.435 1.875 10 0 EDAERN O=C(CCc1cccc(Br)c1)N1CCO[C@H](CO)C1 ZINC000168338459 442224100 /nfs/dbraw/zinc/22/41/00/442224100.db2.gz BFFPVBSXAXWKFH-ZDUSSCGKSA-N 0 0 328.206 1.601 10 0 EDAERN COc1ccc([C@H](C)NC(=O)[C@@H]2CCc3n[nH]nc3C2)cc1OC ZINC000170240258 442229716 /nfs/dbraw/zinc/22/97/16/442229716.db2.gz WSGRAXJLDOVDCI-CMPLNLGQSA-N 0 0 330.388 1.804 10 0 EDAERN Cc1cccc(N2CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)c1C ZINC000170241139 442229799 /nfs/dbraw/zinc/22/97/99/442229799.db2.gz KYAWKMVCEDQGOD-OAHLLOKOSA-N 0 0 339.443 1.875 10 0 EDAERN C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2OCC(F)F)CCO1 ZINC000127955073 442235732 /nfs/dbraw/zinc/23/57/32/442235732.db2.gz DLRUOUBETCEEDZ-LLVKDONJSA-N 0 0 329.347 1.128 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2cc(F)c(F)cc2F)n1 ZINC000152784692 442243982 /nfs/dbraw/zinc/24/39/82/442243982.db2.gz IRWRRYFAPCKECG-ZDUSSCGKSA-N 0 0 341.289 1.938 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000176836130 442262687 /nfs/dbraw/zinc/26/26/87/442262687.db2.gz HJOSZVOHLYSHCD-ZDUSSCGKSA-N 0 0 325.434 1.678 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(F)cc1 ZINC000176845149 442263005 /nfs/dbraw/zinc/26/30/05/442263005.db2.gz FXUYNIAJCYRQBR-CYBMUJFWSA-N 0 0 345.378 1.361 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCCOC[C@H]2CCOC2)cn1 ZINC000128389475 442263157 /nfs/dbraw/zinc/26/31/57/442263157.db2.gz BJXIHOORTRNWNF-GDBMZVCRSA-N 0 0 336.436 1.710 10 0 EDAERN CCn1cc(C2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)cn1 ZINC000176875515 442265659 /nfs/dbraw/zinc/26/56/59/442265659.db2.gz FETKNIHCBOOAEP-LBPRGKRZSA-N 0 0 327.450 1.290 10 0 EDAERN CC(C)n1ccnc1C[S@](=O)CC(=O)NCCOc1ccccc1 ZINC000176890747 442267729 /nfs/dbraw/zinc/26/77/29/442267729.db2.gz GEPPLAZEGBKNFT-DEOSSOPVSA-N 0 0 349.456 1.908 10 0 EDAERN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000176919925 442273272 /nfs/dbraw/zinc/27/32/72/442273272.db2.gz CNKLJBUVXQBYKW-AWEZNQCLSA-N 0 0 341.411 1.796 10 0 EDAERN O=C(Nc1ccc2c(c1)COC2)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000128645926 442280244 /nfs/dbraw/zinc/28/02/44/442280244.db2.gz FZKIPYXQEDDBDV-HNNXBMFYSA-N 0 0 341.371 1.111 10 0 EDAERN CC[C@H]1CN(C(=O)NCCn2cc(C)cn2)CCN1CC(F)F ZINC000128674028 442281535 /nfs/dbraw/zinc/28/15/35/442281535.db2.gz PJZWFIMAGNVLBH-ZDUSSCGKSA-N 0 0 329.395 1.562 10 0 EDAERN CC(C)n1nnnc1CN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170919252 442288744 /nfs/dbraw/zinc/28/87/44/442288744.db2.gz JYHFXOHQGGQAJW-ZDUSSCGKSA-N 0 0 338.456 1.943 10 0 EDAERN COCCNc1ccccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000128891976 442294303 /nfs/dbraw/zinc/29/43/03/442294303.db2.gz ZRKAQEXKICQKNE-AWEZNQCLSA-N 0 0 344.419 1.151 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)c1 ZINC000153822007 442305686 /nfs/dbraw/zinc/30/56/86/442305686.db2.gz RBLCOMNJJANGGP-UHFFFAOYSA-N 0 0 339.355 1.601 10 0 EDAERN C[C@@H](NC(=O)N1CCCN(Cc2cscn2)CC1)[C@@H]1CCCO1 ZINC000171156160 442320844 /nfs/dbraw/zinc/32/08/44/442320844.db2.gz SIRQLFCGHDBGTJ-HIFRSBDPSA-N 0 0 338.477 1.928 10 0 EDAERN CCc1nc(CN2CCN(C[C@@](C)(O)c3ccccc3)CC2)no1 ZINC000177305130 442326498 /nfs/dbraw/zinc/32/64/98/442326498.db2.gz GSNQSBVVQRAIFE-GOSISDBHSA-N 0 0 330.432 1.657 10 0 EDAERN CN(CCCNC(=O)N[C@@H]1CCCn2ncnc21)CC(F)(F)F ZINC000177342677 442330194 /nfs/dbraw/zinc/33/01/94/442330194.db2.gz BGQDPSITDXVFDR-SNVBAGLBSA-N 0 0 334.346 1.296 10 0 EDAERN COc1ccc(-n2cnnc2SCc2nnnn2C(C)C)cn1 ZINC000171423144 442346845 /nfs/dbraw/zinc/34/68/45/442346845.db2.gz PZVNQIUHKYGWOI-UHFFFAOYSA-N 0 0 332.393 1.531 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C1 ZINC000171481109 442352498 /nfs/dbraw/zinc/35/24/98/442352498.db2.gz BIUATDHTJWUCIQ-CVEARBPZSA-N 0 0 346.431 1.130 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000177223185 442315844 /nfs/dbraw/zinc/31/58/44/442315844.db2.gz IRIFTSAUYAUQJY-KDOFPFPSSA-N 0 0 345.443 1.480 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C)c1C)CC2 ZINC000177638099 442365365 /nfs/dbraw/zinc/36/53/65/442365365.db2.gz YDVMVVKYSCRVMK-ZDUSSCGKSA-N 0 0 341.415 1.527 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C)c1C)CC2 ZINC000177638087 442365578 /nfs/dbraw/zinc/36/55/78/442365578.db2.gz YDVMVVKYSCRVMK-CYBMUJFWSA-N 0 0 341.415 1.527 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C)CC2 ZINC000177641700 442365964 /nfs/dbraw/zinc/36/59/64/442365964.db2.gz QSHTXNAYNXNICO-LBPRGKRZSA-N 0 0 345.378 1.358 10 0 EDAERN CC(C)c1ccc(-c2noc(CS(=O)(=O)C[C@@H](O)CO)n2)cc1 ZINC000177673386 442368840 /nfs/dbraw/zinc/36/88/40/442368840.db2.gz MJZWNVCNHXGGDF-ZDUSSCGKSA-N 0 0 340.401 1.128 10 0 EDAERN C[C@H]1CN(CC(=O)NCc2ccccc2Cn2cccn2)CCS1 ZINC000171693875 442370642 /nfs/dbraw/zinc/37/06/42/442370642.db2.gz FGQAIFFHMJSACH-HNNXBMFYSA-N 0 0 344.484 1.985 10 0 EDAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCO3)C[C@@H]1N1CCOCC1 ZINC000177742435 442378578 /nfs/dbraw/zinc/37/85/78/442378578.db2.gz UVVITLPMMKLSKK-CJNGLKHVSA-N 0 0 331.416 1.806 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000155241906 442383705 /nfs/dbraw/zinc/38/37/05/442383705.db2.gz ZRZMGHKYIJZMDL-MRXNPFEDSA-N 0 0 349.479 1.782 10 0 EDAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3CCCn4nc(C)nc43)no2)c1 ZINC000155485854 442401973 /nfs/dbraw/zinc/40/19/73/442401973.db2.gz UYYHNVHXSSTJHD-CYBMUJFWSA-N 0 0 341.375 1.393 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1cnc(C)s1)CC2 ZINC000172040352 442403034 /nfs/dbraw/zinc/40/30/34/442403034.db2.gz VDKQHNQBTVMZFE-NSHDSACASA-N 0 0 334.449 1.762 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](c3cc[nH]n3)C1)CC2 ZINC000172040629 442403295 /nfs/dbraw/zinc/40/32/95/442403295.db2.gz XEMMXEVKUKJTBT-OLZOCXBDSA-N 0 0 343.435 1.468 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3nnc(C)s3)C2)n1 ZINC000172046188 442403484 /nfs/dbraw/zinc/40/34/84/442403484.db2.gz HLVFXKPSJAIONB-GFCCVEGCSA-N 0 0 335.437 1.999 10 0 EDAERN COc1ccc(-n2ccc(C(=O)N[C@H]3CCCn4ncnc43)n2)cc1 ZINC000177555274 442357257 /nfs/dbraw/zinc/35/72/57/442357257.db2.gz ALAAXZMMYMOQEE-AWEZNQCLSA-N 0 0 338.371 1.737 10 0 EDAERN CCOc1cccc(CCNC(=O)N2CCN(CCOC)[C@@H](C)C2)c1 ZINC000155531864 442405814 /nfs/dbraw/zinc/40/58/14/442405814.db2.gz WUDMTLRFHRNWAN-INIZCTEOSA-N 0 0 349.475 1.990 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCCC(=O)N(C)C ZINC000172072249 442406560 /nfs/dbraw/zinc/40/65/60/442406560.db2.gz GUHUCXBEHOPSTF-AWEZNQCLSA-N 0 0 335.452 1.752 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000172076463 442406880 /nfs/dbraw/zinc/40/68/80/442406880.db2.gz POLKREWYRNPIBR-GWCFXTLKSA-N 0 0 342.465 1.317 10 0 EDAERN CCCC[C@H](COC)NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000133331600 442412527 /nfs/dbraw/zinc/41/25/27/442412527.db2.gz RQZXBISQCCXJEK-CVEARBPZSA-N 0 0 338.452 1.807 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1nnc2n1CCCC2 ZINC000178197751 442414952 /nfs/dbraw/zinc/41/49/52/442414952.db2.gz DJRFOXCEWJTCGD-STQMWFEESA-N 0 0 343.435 1.988 10 0 EDAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCNC(=O)C1 ZINC000178232911 442417284 /nfs/dbraw/zinc/41/72/84/442417284.db2.gz SBAYKFOSEOXGNF-AWEZNQCLSA-N 0 0 329.400 1.964 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2nc3ccccn3n2)C[C@H]1CC ZINC000133483239 442420015 /nfs/dbraw/zinc/42/00/15/442420015.db2.gz YZUAQOWGPYZPBN-CQSZACIVSA-N 0 0 346.435 1.694 10 0 EDAERN CCOCCN1CCN(C(=O)CN2CCCCCCC2=O)C[C@@H]1C ZINC000172220985 442425601 /nfs/dbraw/zinc/42/56/01/442425601.db2.gz PYLBUFAATODROT-INIZCTEOSA-N 0 0 339.480 1.348 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCc1ccc(NC(C)=O)cc1)C(C)C ZINC000178436124 442433712 /nfs/dbraw/zinc/43/37/12/442433712.db2.gz YIKXZAYLRWLJJX-OAHLLOKOSA-N 0 0 334.420 1.257 10 0 EDAERN CCOc1ccc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)cc1F ZINC000178443399 442434221 /nfs/dbraw/zinc/43/42/21/442434221.db2.gz BOAHETFSOSZAMC-CQSZACIVSA-N 0 0 325.384 1.794 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCC1(c2ccccc2)CCOCC1)C(C)C ZINC000178447210 442434792 /nfs/dbraw/zinc/43/47/92/442434792.db2.gz MLOHYFDJWDGJDL-MRXNPFEDSA-N 0 0 347.459 1.805 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178498684 442439251 /nfs/dbraw/zinc/43/92/51/442439251.db2.gz YVDHEFBYJHEGKK-QAPCUYQASA-N 0 0 334.464 1.916 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCSC(F)(F)F)CC2 ZINC000172311822 442442099 /nfs/dbraw/zinc/44/20/99/442442099.db2.gz GQASEVHCPUOAPT-MRVPVSSYSA-N 0 0 337.371 1.708 10 0 EDAERN CCOC1CC(CCNC(=O)N2CCN(C[C@H](O)CC)CC2)C1 ZINC000191681370 442488725 /nfs/dbraw/zinc/48/87/25/442488725.db2.gz FKCDUXJKZWZDET-HWOWSKLDSA-N 0 0 327.469 1.290 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CN1CCCC1=O)CC2 ZINC000172557525 442489776 /nfs/dbraw/zinc/48/97/76/442489776.db2.gz YCEJDQYQBRITHD-QWHCGFSZSA-N 0 0 348.451 1.026 10 0 EDAERN CNC(=O)Cn1cc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cn1 ZINC000186231075 442492559 /nfs/dbraw/zinc/49/25/59/442492559.db2.gz MVUJZCGAGIRNHA-STQMWFEESA-N 0 0 329.404 1.307 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)COc3ccc(C=O)cc3)CCO2)cn1 ZINC000191733164 442501811 /nfs/dbraw/zinc/50/18/11/442501811.db2.gz PMMSAHUSERVVFG-QGZVFWFLSA-N 0 0 343.383 1.694 10 0 EDAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000172608757 442502854 /nfs/dbraw/zinc/50/28/54/442502854.db2.gz YAZGDFICJYQBJX-ZDUSSCGKSA-N 0 0 346.435 1.073 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)C(=O)c3ccccc3OC)CCO2)cn1 ZINC000191738843 442503262 /nfs/dbraw/zinc/50/32/62/442503262.db2.gz XDABHDSRWLBNHQ-INIZCTEOSA-N 0 0 343.383 1.694 10 0 EDAERN CCCCOc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)c(Cl)c1 ZINC000186302303 442507198 /nfs/dbraw/zinc/50/71/98/442507198.db2.gz SLZRTBCYKXCUBB-CQSZACIVSA-N 0 0 340.807 1.845 10 0 EDAERN CN(C(=O)NCCc1ccccn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172431948 442460388 /nfs/dbraw/zinc/46/03/88/442460388.db2.gz STXYKEKLQKYVCK-MRXNPFEDSA-N 0 0 340.431 1.725 10 0 EDAERN CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172435458 442460429 /nfs/dbraw/zinc/46/04/29/442460429.db2.gz SUMDBGYMOFHPOQ-WBVHZDCISA-N 0 0 338.411 1.908 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000191538398 442460729 /nfs/dbraw/zinc/46/07/29/442460729.db2.gz DLZMAYXUXANDLQ-LLVKDONJSA-N 0 0 338.477 1.903 10 0 EDAERN CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179467994 442461166 /nfs/dbraw/zinc/46/11/66/442461166.db2.gz ZEEKPKIABMKUGF-MRXNPFEDSA-N 0 0 343.431 1.582 10 0 EDAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000156389972 442475573 /nfs/dbraw/zinc/47/55/73/442475573.db2.gz PBQGFYLEMFOFSF-CQSZACIVSA-N 0 0 335.452 1.030 10 0 EDAERN CC[C@H](COC)NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000172530036 442481932 /nfs/dbraw/zinc/48/19/32/442481932.db2.gz PVWMKZLFVYOLPQ-YPMHNXCESA-N 0 0 326.418 1.629 10 0 EDAERN O=C(CCCNC(=O)c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172751425 442534185 /nfs/dbraw/zinc/53/41/85/442534185.db2.gz BIFNJYSBMHCEHX-QGZVFWFLSA-N 0 0 345.443 1.130 10 0 EDAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000172755126 442534633 /nfs/dbraw/zinc/53/46/33/442534633.db2.gz WZTBKBKJRRJOLH-OMDKTOEGSA-N 0 0 330.384 1.362 10 0 EDAERN CCc1[nH]c(C(=O)N2CC[C@H](N3CCOCC3)C2)c(C)c1C(=O)OC ZINC000172754431 442535225 /nfs/dbraw/zinc/53/52/25/442535225.db2.gz YXSYYDHUPSJIPV-ZDUSSCGKSA-N 0 0 349.431 1.219 10 0 EDAERN O=C(c1cccc(N2CCCC2=O)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172754537 442535246 /nfs/dbraw/zinc/53/52/46/442535246.db2.gz WPQZQTNXSOUBNB-QGZVFWFLSA-N 0 0 343.427 1.360 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cccc(C(N)=O)c2)C12CCOCC2 ZINC000186455052 442538027 /nfs/dbraw/zinc/53/80/27/442538027.db2.gz XUELBXSQLPXJIL-LSDHHAIUSA-N 0 0 332.400 1.490 10 0 EDAERN CC(C)[C@H](NC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C(N)=O ZINC000134958651 442541582 /nfs/dbraw/zinc/54/15/82/442541582.db2.gz YKCLPEZTOABUAA-AWEZNQCLSA-N 0 0 333.367 1.321 10 0 EDAERN Cc1ccc(-c2n[nH]cc2CN2CCO[C@@H](c3nnc(C)[nH]3)C2)o1 ZINC000180106305 442542521 /nfs/dbraw/zinc/54/25/21/442542521.db2.gz ZEBGAZTWSDDZMB-CQSZACIVSA-N 0 0 328.376 1.978 10 0 EDAERN Cc1cc(N2CCC[C@H](Nc3ncnc4c3cnn4C)C2=O)n(C)n1 ZINC000172810419 442546989 /nfs/dbraw/zinc/54/69/89/442546989.db2.gz QNUJFXOJHPCIFI-LBPRGKRZSA-N 0 0 340.391 1.013 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCOC1CCCC1)CC2 ZINC000157113106 442550746 /nfs/dbraw/zinc/55/07/46/442550746.db2.gz GEXWAXAQZUSDKN-CYBMUJFWSA-N 0 0 335.452 1.975 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)c2cn(C)cn2)N2CCOCC2)s1 ZINC000179024482 442553997 /nfs/dbraw/zinc/55/39/97/442553997.db2.gz MFLFGTDMBNTZGS-CQSZACIVSA-N 0 0 334.445 1.593 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2cccc(Br)c2)C1 ZINC000134689765 442512036 /nfs/dbraw/zinc/51/20/36/442512036.db2.gz MWPUKALCOQSCGA-ZDUSSCGKSA-N 0 0 327.222 1.900 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC000186361870 442518959 /nfs/dbraw/zinc/51/89/59/442518959.db2.gz IHRSKYQQZHJPPH-GOSISDBHSA-N 0 0 330.428 1.862 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)C(C)C ZINC000178920077 442525665 /nfs/dbraw/zinc/52/56/65/442525665.db2.gz XMNXWLPNMGTLET-MRXNPFEDSA-N 0 0 346.431 1.701 10 0 EDAERN COc1ccc(F)c(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1OC ZINC000191864437 442526574 /nfs/dbraw/zinc/52/65/74/442526574.db2.gz BPZUCARDAQOYEL-LBPRGKRZSA-N 0 0 348.378 1.987 10 0 EDAERN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753014 442533460 /nfs/dbraw/zinc/53/34/60/442533460.db2.gz UFSDXGCRBPGRLW-CYBMUJFWSA-N 0 0 343.383 1.182 10 0 EDAERN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180272188 442571415 /nfs/dbraw/zinc/57/14/15/442571415.db2.gz KOWLVAKDBUENKB-MRXNPFEDSA-N 0 0 325.368 1.383 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000180271399 442571438 /nfs/dbraw/zinc/57/14/38/442571438.db2.gz REFUONXCJKFKNF-INIZCTEOSA-N 0 0 346.333 1.958 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C)nc1Cl ZINC000192024883 442572592 /nfs/dbraw/zinc/57/25/92/442572592.db2.gz LZGIXLBXXBKPSU-SNVBAGLBSA-N 0 0 341.824 1.757 10 0 EDAERN Cc1coc(-c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)n1 ZINC000157407655 442579905 /nfs/dbraw/zinc/57/99/05/442579905.db2.gz IHVWIYWBEQOTLN-OAHLLOKOSA-N 0 0 342.399 1.751 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)Nc2ccc(=O)n(C)c2)[C@H]1c1ccc(F)cc1 ZINC000157409555 442580015 /nfs/dbraw/zinc/58/00/15/442580015.db2.gz AMYLSVAAZXEXDX-RHSMWYFYSA-N 0 0 343.358 1.683 10 0 EDAERN C[C@H]1CN(C(=O)c2ncccc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000180325245 442581488 /nfs/dbraw/zinc/58/14/88/442581488.db2.gz ZSSJOZNRBINWIK-WCQYABFASA-N 0 0 343.349 1.893 10 0 EDAERN COC(=O)[C@H]1C[C@H]1C(=O)NOCc1ccc(F)cc1Br ZINC000186645364 442581747 /nfs/dbraw/zinc/58/17/47/442581747.db2.gz VCHOGIOQWFOIES-ZJUUUORDSA-N 0 0 346.152 1.945 10 0 EDAERN C[C@H](CCNC(=O)C(F)(F)C1(O)CCC1)NC(=O)OC(C)(C)C ZINC000179148436 442582353 /nfs/dbraw/zinc/58/23/53/442582353.db2.gz DFLKBYVYORLXSG-SNVBAGLBSA-N 0 0 336.379 1.956 10 0 EDAERN C[C@H](NC(=O)CCCNC(=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000135351009 442584435 /nfs/dbraw/zinc/58/44/35/442584435.db2.gz QINYKOOLEPNWTP-LBPRGKRZSA-N 0 0 335.452 1.734 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC2(C)OCCO2)[C@H]1c1ccccc1 ZINC000179209920 442598401 /nfs/dbraw/zinc/59/84/01/442598401.db2.gz PXOASODUEAMYCM-GOEBONIOSA-N 0 0 332.400 1.475 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccn1 ZINC000186730313 442602943 /nfs/dbraw/zinc/60/29/43/442602943.db2.gz UELBRFHNKXDHOR-AWEZNQCLSA-N 0 0 331.397 1.536 10 0 EDAERN Cc1ncc(CNC(=O)N2CCC(c3ccnn3CCO)CC2)s1 ZINC000157677127 442602978 /nfs/dbraw/zinc/60/29/78/442602978.db2.gz GEAPUIWNFIZOJB-UHFFFAOYSA-N 0 0 349.460 1.730 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccccc3C)CCO2)[nH]1 ZINC000180229141 442562581 /nfs/dbraw/zinc/56/25/81/442562581.db2.gz XZVKBFAXUBVWRI-CYBMUJFWSA-N 0 0 343.387 1.214 10 0 EDAERN C[C@H](O)CCNC(=O)c1cc(I)ccc1O ZINC000179059320 442563260 /nfs/dbraw/zinc/56/32/60/442563260.db2.gz ZVOPUQWRKOCZAN-ZETCQYMHSA-N 0 0 335.141 1.498 10 0 EDAERN Cc1c(CCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cnn1C ZINC000135189580 442566914 /nfs/dbraw/zinc/56/69/14/442566914.db2.gz RUTRJDYEKOSTDA-INIZCTEOSA-N 0 0 342.447 1.579 10 0 EDAERN CCOc1cc(C(=O)NC[C@@H](C)N2CCOCC2)cc(Cl)c1O ZINC000186590124 442567547 /nfs/dbraw/zinc/56/75/47/442567547.db2.gz PKXPTOKFBRCNOY-LLVKDONJSA-N 0 0 342.823 1.895 10 0 EDAERN CCc1cc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)ccc1C ZINC000180618219 442635832 /nfs/dbraw/zinc/63/58/32/442635832.db2.gz BAFBLXDGDBVEGO-AWEZNQCLSA-N 0 0 327.388 1.739 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCCOCC2CC2)C1 ZINC000192366693 442640523 /nfs/dbraw/zinc/64/05/23/442640523.db2.gz FLNZWHKSDNRWPC-UONOGXRCSA-N 0 0 338.408 1.666 10 0 EDAERN COc1cc(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)ccc1F ZINC000187135801 442655261 /nfs/dbraw/zinc/65/52/61/442655261.db2.gz ZVJIHKIEQKMFEW-ZDUSSCGKSA-N 0 0 335.339 1.866 10 0 EDAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)ccc1Br ZINC000135648089 442623047 /nfs/dbraw/zinc/62/30/47/442623047.db2.gz RWJMIGKHZCHMHT-LLVKDONJSA-N 0 0 327.178 1.084 10 0 EDAERN COC(C)(C)CNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173237585 442629463 /nfs/dbraw/zinc/62/94/63/442629463.db2.gz HMPNMYKLSAXZTK-UHFFFAOYSA-N 0 0 325.413 1.020 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccncc2OC)C[C@@H]1C ZINC000187516010 442680267 /nfs/dbraw/zinc/68/02/67/442680267.db2.gz VTGWKXBOPDIMPL-KBPBESRZSA-N 0 0 336.436 1.513 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)C(C)C ZINC000181140734 442681738 /nfs/dbraw/zinc/68/17/38/442681738.db2.gz HWVOPVSAHSLAJU-MLGOLLRUSA-N 0 0 349.406 1.374 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCc2cc(C(N)=O)co2)C1 ZINC000187995751 442702821 /nfs/dbraw/zinc/70/28/21/442702821.db2.gz IGYCENLLBWUSMY-CYBMUJFWSA-N 0 0 345.403 1.684 10 0 EDAERN O=C(NC[C@H]1COC2(CCCCC2)O1)N[C@H]1CCCn2ncnc21 ZINC000180886795 442667400 /nfs/dbraw/zinc/66/74/00/442667400.db2.gz ODJJUSPJBMUKNB-STQMWFEESA-N 0 0 335.408 1.488 10 0 EDAERN C[C@H]1[C@H](NC(=O)c2ccc(=O)n(C)c2)CCCN1C(=O)OC(C)(C)C ZINC000188319896 442738570 /nfs/dbraw/zinc/73/85/70/442738570.db2.gz NGBGEIZHWDFYMJ-GXTWGEPZSA-N 0 0 349.431 1.903 10 0 EDAERN COc1cc(NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)ncn1 ZINC000182141009 442739479 /nfs/dbraw/zinc/73/94/79/442739479.db2.gz HHISLGAYWXJUAJ-JTQLQIEISA-N 0 0 331.380 1.337 10 0 EDAERN COc1cc(NC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)ncn1 ZINC000182207448 442745755 /nfs/dbraw/zinc/74/57/55/442745755.db2.gz DXTNDKATFOOEQH-ZDUSSCGKSA-N 0 0 345.407 1.638 10 0 EDAERN CCOC[C@@H]1CCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000181726580 442712662 /nfs/dbraw/zinc/71/26/62/442712662.db2.gz HDNOGKZCKIDPIK-KGLIPLIRSA-N 0 0 335.452 1.784 10 0 EDAERN CN(C(=O)c1cn2ccnc2s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000188525263 442760406 /nfs/dbraw/zinc/76/04/06/442760406.db2.gz UCHFTHIUWCLBLW-GFCCVEGCSA-N 0 0 342.428 1.927 10 0 EDAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188525669 442760461 /nfs/dbraw/zinc/76/04/61/442760461.db2.gz LVSSVSPFQNCDHF-ZDUSSCGKSA-N 0 0 344.411 1.784 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)C1 ZINC000182377726 442761964 /nfs/dbraw/zinc/76/19/64/442761964.db2.gz IBIOBLFOKKSBMV-ZDUSSCGKSA-N 0 0 339.823 1.584 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000188670435 442784702 /nfs/dbraw/zinc/78/47/02/442784702.db2.gz YOWMWLMWISIDDR-QZTJIDSGSA-N 0 0 348.418 1.589 10 0 EDAERN CCc1cnc(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)s1 ZINC000188877343 442833525 /nfs/dbraw/zinc/83/35/25/442833525.db2.gz ZVKDYMANCWLANL-UHFFFAOYSA-N 0 0 336.461 1.558 10 0 EDAERN Cc1ccc(N2C[C@H](C(=O)N3CCCNC(=O)[C@H]3C)CC2=O)cc1 ZINC000188881823 442834337 /nfs/dbraw/zinc/83/43/37/442834337.db2.gz RFVZQWQQTMPSHS-ZIAGYGMSSA-N 0 0 329.400 1.085 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4c(c3O)CCCC4)CCO2)[nH]1 ZINC000182891943 442842545 /nfs/dbraw/zinc/84/25/45/442842545.db2.gz GLEPFHWRTPTSQK-OAHLLOKOSA-N 0 0 342.399 1.911 10 0 EDAERN O=C(CC1OCCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188935025 442845533 /nfs/dbraw/zinc/84/55/33/442845533.db2.gz ZRAGNNKDMVXNKX-INIZCTEOSA-N 0 0 334.416 1.017 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC000188941097 442846247 /nfs/dbraw/zinc/84/62/47/442846247.db2.gz TUBZXXDUNXNBPZ-KBPBESRZSA-N 0 0 339.480 1.835 10 0 EDAERN Cn1nccc1C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000182915571 442847701 /nfs/dbraw/zinc/84/77/01/442847701.db2.gz CJHQDOBGTGXAMZ-UHFFFAOYSA-N 0 0 349.412 1.717 10 0 EDAERN CC(C)[C@H](NC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1)C(N)=O ZINC000182989099 442860532 /nfs/dbraw/zinc/86/05/32/442860532.db2.gz UISFWQZWKKKXKA-WFASDCNBSA-N 0 0 334.420 1.543 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)c3ccccc3)CCO2)n1 ZINC000194291486 442872116 /nfs/dbraw/zinc/87/21/16/442872116.db2.gz PECYIVNLHNTTHY-MRXNPFEDSA-N 0 0 327.384 1.610 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CCOC[C@@H]3C)CC2)n1 ZINC000194345848 442880289 /nfs/dbraw/zinc/88/02/89/442880289.db2.gz FCCUNPINNMWMRY-MELADBBJSA-N 0 0 336.436 1.510 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000194442344 442897296 /nfs/dbraw/zinc/89/72/96/442897296.db2.gz UITGLMAOLDHGCP-OAHLLOKOSA-N 0 0 346.431 1.701 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)N[C@H](COC)c3ccco3)CCO2)cn1 ZINC000189420380 442948794 /nfs/dbraw/zinc/94/87/94/442948794.db2.gz VEFNTZHXGTVSMP-GDBMZVCRSA-N 0 0 348.403 1.967 10 0 EDAERN CO[C@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000249070344 442948948 /nfs/dbraw/zinc/94/89/48/442948948.db2.gz JOISICZJFNSCSM-MGPQQGTHSA-N 0 0 341.477 1.844 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000194617643 442924600 /nfs/dbraw/zinc/92/46/00/442924600.db2.gz IVYKVBXIOFZASI-CQSZACIVSA-N 0 0 326.824 1.944 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)C1 ZINC000194615991 442924856 /nfs/dbraw/zinc/92/48/56/442924856.db2.gz WUQNTAWNNAHIDZ-GFCCVEGCSA-N 0 0 336.417 1.178 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1COc2ccccc21)C(=O)NCc1ccco1 ZINC000194682241 442935855 /nfs/dbraw/zinc/93/58/55/442935855.db2.gz STXHNHZGZBXOKX-BXUZGUMPSA-N 0 0 329.356 1.717 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000194723611 442942988 /nfs/dbraw/zinc/94/29/88/442942988.db2.gz XUKROTYNEFCZHO-INIZCTEOSA-N 0 0 345.468 1.723 10 0 EDAERN CC(C)C(=O)Nc1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194736259 442944512 /nfs/dbraw/zinc/94/45/12/442944512.db2.gz DQOFNCWAXUWLQY-INIZCTEOSA-N 0 0 348.447 1.411 10 0 EDAERN COCc1cccc(CC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000189421049 442948259 /nfs/dbraw/zinc/94/82/59/442948259.db2.gz LJHPMJZGYTZTME-KRWDZBQOSA-N 0 0 329.400 1.500 10 0 EDAERN O=C(NC1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1)C1CC1 ZINC000189487838 442966554 /nfs/dbraw/zinc/96/65/54/442966554.db2.gz JBMLTGXSNLEUED-HUUCEWRRSA-N 0 0 342.395 1.298 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000184167141 442998837 /nfs/dbraw/zinc/99/88/37/442998837.db2.gz DITHWWHNFBVUPC-GOSISDBHSA-N 0 0 347.459 1.542 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249491798 442977698 /nfs/dbraw/zinc/97/76/98/442977698.db2.gz YNCLPCVDNHIPMI-CHWSQXEVSA-N 0 0 342.442 1.750 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189610729 442984770 /nfs/dbraw/zinc/98/47/70/442984770.db2.gz ZIGHUSXKTMOUEV-STQMWFEESA-N 0 0 332.466 1.264 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCCSc2ccc(F)cc2)C1 ZINC000189722315 442997762 /nfs/dbraw/zinc/99/77/62/442997762.db2.gz PWJALMXIGUDSOY-UHFFFAOYSA-N 0 0 325.409 1.838 10 0 EDAERN O=C(Nc1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1)c1ccco1 ZINC000194785819 442953244 /nfs/dbraw/zinc/95/32/44/442953244.db2.gz DSZFOKJRZVMCCH-GFCCVEGCSA-N 0 0 327.340 1.284 10 0 EDAERN CC[C@@H]1CN(C(=O)N[C@@H](C(=O)NC)C(C)C)CCN1CC(F)F ZINC000252736350 443048471 /nfs/dbraw/zinc/04/84/71/443048471.db2.gz UNQNRPBOSTUNMG-DGCLKSJQSA-N 0 0 334.411 1.128 10 0 EDAERN C[C@@H](c1cnccn1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000184528765 443035294 /nfs/dbraw/zinc/03/52/94/443035294.db2.gz KPXIGJAPLMDNJL-DLBZAZTESA-N 0 0 342.443 1.595 10 0 EDAERN CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 ZINC000252510095 443038039 /nfs/dbraw/zinc/03/80/39/443038039.db2.gz ZBGHVCCXJDKXIH-QUSNUVHPSA-N 0 0 336.340 1.710 10 0 EDAERN Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)[C@@H]2CCOC2)c(C)[nH]1 ZINC000252527524 443040949 /nfs/dbraw/zinc/04/09/49/443040949.db2.gz CTVZTAVBLZASPI-WBVHZDCISA-N 0 0 335.448 1.327 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2occ(C)c2c1 ZINC000190339182 443087519 /nfs/dbraw/zinc/08/75/19/443087519.db2.gz CMDLWAGXZJDVNI-ZDUSSCGKSA-N 0 0 330.340 1.844 10 0 EDAERN CN1CCN(c2ncc(NC(=O)c3c(F)cccc3F)cn2)CC1 ZINC000224252608 443097912 /nfs/dbraw/zinc/09/79/12/443097912.db2.gz TXDMKFMGPXEPAT-UHFFFAOYSA-N 0 0 333.342 1.759 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2nnn(C)c2c1 ZINC000184828930 443082899 /nfs/dbraw/zinc/08/28/99/443082899.db2.gz PCOSZPUSGKZZTJ-LBPRGKRZSA-N 0 0 325.376 1.387 10 0 EDAERN CCN1CN(C(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)CC1=O ZINC000190549207 443134552 /nfs/dbraw/zinc/13/45/52/443134552.db2.gz AOKYUMKTVAQXOC-INIZCTEOSA-N 0 0 331.416 1.398 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NC3Cc4ccccc4C3)CCO2)[nH]1 ZINC000184964205 443107822 /nfs/dbraw/zinc/10/78/22/443107822.db2.gz GGTSWUZXVZSWMW-OAHLLOKOSA-N 0 0 327.388 1.363 10 0 EDAERN CCC[C@@H](NC(=O)Cc1nnc(NC)s1)C(=O)OC(C)(C)C ZINC000184983515 443111398 /nfs/dbraw/zinc/11/13/98/443111398.db2.gz DGJKDCPSDCAVRF-SECBINFHSA-N 0 0 328.438 1.749 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccnn3C(C)(C)C)CCO2)[nH]1 ZINC000190476232 443116405 /nfs/dbraw/zinc/11/64/05/443116405.db2.gz ADHASUFDDABAAW-NSHDSACASA-N 0 0 333.396 1.670 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc([C@H](C)O)cc2)CC1 ZINC000185004037 443116910 /nfs/dbraw/zinc/11/69/10/443116910.db2.gz AANDBFSHXFTFIR-WMLDXEAASA-N 0 0 335.448 1.338 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000190486943 443118776 /nfs/dbraw/zinc/11/87/76/443118776.db2.gz KYGCVDNDTTUKLK-LLVKDONJSA-N 0 0 347.444 1.784 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC(NC(C)=O)C1 ZINC000190498109 443121484 /nfs/dbraw/zinc/12/14/84/443121484.db2.gz JXIVSXQZSVKRRA-LRDDRELGSA-N 0 0 331.416 1.178 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000185243202 443168326 /nfs/dbraw/zinc/16/83/26/443168326.db2.gz BXVBLIMXJCSORR-VIFPVBQESA-N 0 0 344.770 1.220 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)C1 ZINC000185273601 443174724 /nfs/dbraw/zinc/17/47/24/443174724.db2.gz LJTJMMFVGOUYJB-CQSZACIVSA-N 0 0 348.443 1.859 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190768332 443179566 /nfs/dbraw/zinc/17/95/66/443179566.db2.gz UHRMLJFEEKFIOQ-GFCCVEGCSA-N 0 0 331.376 1.372 10 0 EDAERN COC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000190795561 443185014 /nfs/dbraw/zinc/18/50/14/443185014.db2.gz NFROGLITDUQOGZ-HOTGVXAUSA-N 0 0 343.431 1.492 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCOc2ccc(Cl)cc2)C1 ZINC000185216925 443162646 /nfs/dbraw/zinc/16/26/46/443162646.db2.gz CDMWIZFSWBZAQZ-UHFFFAOYSA-N 0 0 326.780 1.082 10 0 EDAERN O=S(=O)(Cc1noc2ccccc21)N1CCN2CCCC[C@@H]2C1 ZINC000185686716 443239218 /nfs/dbraw/zinc/23/92/18/443239218.db2.gz BNNPMHLYGVMQJC-CYBMUJFWSA-N 0 0 335.429 1.828 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000185785878 443256685 /nfs/dbraw/zinc/25/66/85/443256685.db2.gz GTVUNUVZKXRIJH-PXAZEXFGSA-N 0 0 331.416 1.385 10 0 EDAERN CN(c1cccnn1)C1CCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191334461 443280266 /nfs/dbraw/zinc/28/02/66/443280266.db2.gz QKAJAYFHGIFAHG-UHFFFAOYSA-N 0 0 329.452 1.924 10 0 EDAERN CCCCN(C)c1ccc(NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000191344082 443281703 /nfs/dbraw/zinc/28/17/03/443281703.db2.gz GWTZJNBTTVHOHK-UHFFFAOYSA-N 0 0 346.431 1.208 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000191380279 443286883 /nfs/dbraw/zinc/28/68/83/443286883.db2.gz ACMQLIVGKHRXNG-YVECIDJPSA-N 0 0 330.400 1.611 10 0 EDAERN Cn1cnnc1[C@H]1CN(CCCc2nc3ccccc3o2)CCO1 ZINC000328646954 444413071 /nfs/dbraw/zinc/41/30/71/444413071.db2.gz SYEGYODTAPGFSV-OAHLLOKOSA-N 0 0 327.388 1.962 10 0 EDAERN Cc1nc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)c[nH]1 ZINC000328613168 444394007 /nfs/dbraw/zinc/39/40/07/444394007.db2.gz QYOICSZVUBFYMD-NEPJUHHUSA-N 0 0 327.431 1.176 10 0 EDAERN COc1cccc([C@H]2C[C@H](O)CN2C(=O)Cc2cccc(OC)n2)c1 ZINC000337529028 445121521 /nfs/dbraw/zinc/12/15/21/445121521.db2.gz ZJVLFAJUOLJBJO-DOTOQJQBSA-N 0 0 342.395 1.976 10 0 EDAERN COc1ccc(Br)cc1C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000392886018 325739054 /nfs/dbraw/zinc/73/90/54/325739054.db2.gz BFPMRURQHJIPNP-KWQFWETISA-N 0 0 341.205 1.855 10 0 EDAERN CN(C[C@H]1CCCN1c1cccnn1)c1nccc2c(=O)[nH]cnc21 ZINC000570581302 448032899 /nfs/dbraw/zinc/03/28/99/448032899.db2.gz NHLUAXNTSSAUKO-GFCCVEGCSA-N 0 0 337.387 1.626 10 0 EDAERN CC(C)n1cc([C@]2(O)CCN(S(=O)(=O)CC3CCCC3)C2)nn1 ZINC000583616447 448443067 /nfs/dbraw/zinc/44/30/67/448443067.db2.gz VKSHXDZZGDWCBW-HNNXBMFYSA-N 0 0 342.465 1.272 10 0 EDAERN Cc1cc(C)cc(CCC(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000583617822 448444824 /nfs/dbraw/zinc/44/48/24/448444824.db2.gz VHDDEBXPJKCRNF-SFHVURJKSA-N 0 0 328.416 1.864 10 0 EDAERN CCC(CC)n1ccc(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)n1 ZINC000583618975 448448685 /nfs/dbraw/zinc/44/86/85/448448685.db2.gz NWVYMXPAWNNRAV-INIZCTEOSA-N 0 0 332.408 1.486 10 0 EDAERN Cn1cncc1[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCC(=O)N1C ZINC000583619213 448449930 /nfs/dbraw/zinc/44/99/30/448449930.db2.gz VJAFTJVYLNWLAC-QMTHXVAHSA-N 0 0 335.795 1.494 10 0 EDAERN O=C1C[C@@H](CNS(=O)(=O)C2CC2)[C@H](c2cccnc2)N1C1CC1 ZINC000584718389 448607568 /nfs/dbraw/zinc/60/75/68/448607568.db2.gz SUJAWQRXHKCPRL-LRDDRELGSA-N 0 0 335.429 1.215 10 0 EDAERN CC(C)(C)OC(=O)N1[C@@H](c2ccc3c(c2)OCO3)COS1(=O)=O ZINC000584644162 448588866 /nfs/dbraw/zinc/58/88/66/448588866.db2.gz YQMRHPFHBBMYGS-SNVBAGLBSA-N 0 0 343.357 1.969 10 0 EDAERN COc1cccc(-c2cnc(N)c(C(=O)NCC(C)(C)CO)n2)c1 ZINC000584662191 448589523 /nfs/dbraw/zinc/58/95/23/448589523.db2.gz RSJGFIGIJYZAOB-UHFFFAOYSA-N 0 0 330.388 1.483 10 0 EDAERN Nc1ccn(C[C@@H]2CS[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000584661730 448589538 /nfs/dbraw/zinc/58/95/38/448589538.db2.gz JUMVXIXNCFYNJY-OCCSQVGLSA-N 0 0 347.396 1.383 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)N2CCCCCO2)[C@H]1c1ccnn1C ZINC000613880085 450347360 /nfs/dbraw/zinc/34/73/60/450347360.db2.gz DJDHTDFATVHFGX-BBRMVZONSA-N 0 0 334.420 1.664 10 0 EDAERN Nc1ncccc1[C@H]1CCOCCN1S(=O)(=O)c1ccccc1 ZINC000616599494 450454409 /nfs/dbraw/zinc/45/44/09/450454409.db2.gz ZNPXRGMFJDUMDZ-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN Nc1ncccc1[C@@H]1CCOCCN1S(=O)(=O)c1ccccc1 ZINC000616599359 450454554 /nfs/dbraw/zinc/45/45/54/450454554.db2.gz ZNPXRGMFJDUMDZ-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN NC(=O)c1cccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000616613360 450455412 /nfs/dbraw/zinc/45/54/12/450455412.db2.gz NAKNHWFZOYSXGU-OAHLLOKOSA-N 0 0 330.409 1.964 10 0 EDAERN CCOC(=O)c1ccccc1[C@@H]1CCCCN(S(N)(=O)=O)C1 ZINC000616605626 450455494 /nfs/dbraw/zinc/45/54/94/450455494.db2.gz RAPWJGVMXXJTRU-GFCCVEGCSA-N 0 0 326.418 1.636 10 0 EDAERN COC(=O)[C@H]1CNc2ccccc2N1CCNC(=O)OC(C)(C)C ZINC000616685984 450460012 /nfs/dbraw/zinc/46/00/12/450460012.db2.gz YSXCDEMDTLBABD-CQSZACIVSA-N 0 0 335.404 1.985 10 0 EDAERN O=C(CCc1cnc2ccccc2c1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000630013559 450953243 /nfs/dbraw/zinc/95/32/43/450953243.db2.gz VANXRKZFEJELEV-IAGOWNOFSA-N 0 0 337.383 1.203 10 0 EDAERN O=C(COc1ccc(F)cc1Br)N[C@H]1CCOC[C@H]1O ZINC000629220892 451600545 /nfs/dbraw/zinc/60/05/45/451600545.db2.gz PVSHMLOFEWBJFP-WDEREUQCSA-N 0 0 348.168 1.233 10 0 EDAERN CNC(=O)[C@]1(COC)CCCN1Cc1nccn1-c1ccccc1 ZINC000643764807 452606337 /nfs/dbraw/zinc/60/63/37/452606337.db2.gz FLDSMMAAIYQSGO-GOSISDBHSA-N 0 0 328.416 1.599 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)cc1C ZINC000664267597 452949865 /nfs/dbraw/zinc/94/98/65/452949865.db2.gz DBOGNODTOYYPMQ-NXEZZACHSA-N 0 0 335.223 1.376 10 0 EDAERN Cc1nn(-c2ccccc2)cc1NC(=O)CN1CCCC[C@H](O)C1=O ZINC000644426691 453438889 /nfs/dbraw/zinc/43/88/89/453438889.db2.gz WXJSKMSIXGQHGR-INIZCTEOSA-N 0 0 342.399 1.493 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2C[C@@H](C[C@@H](C(=O)OC)C23SCCS3)C1=O ZINC000000188958 485476520 /nfs/dbraw/zinc/47/65/20/485476520.db2.gz PPOMXPITWUCVEV-MMWGEVLESA-N 0 0 344.454 1.740 10 0 EDAERN C[C@H](NC(=O)Cc1cc[nH]n1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000084647475 486275602 /nfs/dbraw/zinc/27/56/02/486275602.db2.gz FIERVNYTJKBERD-LBPRGKRZSA-N 0 0 346.406 1.930 10 0 EDAERN C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000249301405 500905360 /nfs/dbraw/zinc/90/53/60/500905360.db2.gz NPQNYSUVKFWNIW-WQVCFCJDSA-N 0 0 329.824 1.299 10 0 EDAERN COc1cc(CCNC(=O)N2CC(NC(=O)C3CC3)C2)ccc1C ZINC000187245211 533757478 /nfs/dbraw/zinc/75/74/78/533757478.db2.gz IJAAFNBSDFQKFH-UHFFFAOYSA-N 0 0 331.416 1.466 10 0 EDAERN C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)ccc2c1)[S@](C)=O ZINC000165202035 534120709 /nfs/dbraw/zinc/12/07/09/534120709.db2.gz SRKIOENXFPCFBK-GSDQLPOLSA-N 0 0 346.861 1.934 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CCO[C@H](Cn4cccn4)C3)[nH]n2)o1 ZINC000171883416 534172109 /nfs/dbraw/zinc/17/21/09/534172109.db2.gz IWNPMCXJUQPDTL-ZDUSSCGKSA-N 0 0 341.371 1.716 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000168699026 534228588 /nfs/dbraw/zinc/22/85/88/534228588.db2.gz IXDQCBLPDYCJFC-AHGSNSTDSA-N 0 0 345.273 1.621 10 0 EDAERN C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2N)CCOC1 ZINC000161595320 534275251 /nfs/dbraw/zinc/27/52/51/534275251.db2.gz NMZMUWAMLOQIKH-LLVKDONJSA-N 0 0 335.223 1.489 10 0 EDAERN NC(=O)CN(C(=O)c1cc(N)cc(Br)c1)C1CCCC1 ZINC000165562486 534322307 /nfs/dbraw/zinc/32/23/07/534322307.db2.gz JXCUBBJWCIEPFL-UHFFFAOYSA-N 0 0 340.221 1.901 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCc3cnn(C)c3C)C2)no1 ZINC000129231141 534406295 /nfs/dbraw/zinc/40/62/95/534406295.db2.gz AADSSAOLBLQCPQ-AWEZNQCLSA-N 0 0 331.420 1.834 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@H](O)c3ccccc3)CC2)n1 ZINC000174770847 534437738 /nfs/dbraw/zinc/43/77/38/534437738.db2.gz NQTDEVRFNVLGQH-IUODEOHRSA-N 0 0 330.388 1.317 10 0 EDAERN Cc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C)N1CCOCC1 ZINC000183946950 534493539 /nfs/dbraw/zinc/49/35/39/534493539.db2.gz MYDNVPRIGCZMTB-HNNXBMFYSA-N 0 0 328.416 1.631 10 0 EDAERN O=C(CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)NC1CC1 ZINC000155393757 534569951 /nfs/dbraw/zinc/56/99/51/534569951.db2.gz DLDGEGPLNABMFT-LBPRGKRZSA-N 0 0 329.322 1.738 10 0 EDAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000131628878 534731801 /nfs/dbraw/zinc/73/18/01/534731801.db2.gz COFPAAXCWGIFDA-HNNXBMFYSA-N 0 0 338.371 1.209 10 0 EDAERN Nc1nc(Oc2cccc(Br)c2)nc(-n2cncn2)n1 ZINC000158627113 534748180 /nfs/dbraw/zinc/74/81/80/534748180.db2.gz CABKVKJMGLMBPN-UHFFFAOYSA-N 0 0 334.137 1.589 10 0 EDAERN CC(=O)c1ccc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246289219 534860583 /nfs/dbraw/zinc/86/05/83/534860583.db2.gz AXRAVAGNBRARQX-KBXCAEBGSA-N 0 0 345.443 1.480 10 0 EDAERN O=S1(=O)CC[C@@H](C[C@H](O)Cc2ccc(Br)cn2)C1 ZINC000139897060 534876391 /nfs/dbraw/zinc/87/63/91/534876391.db2.gz ULKYEWYKDLVGEA-CABZTGNLSA-N 0 0 334.235 1.572 10 0 EDAERN COC(=O)CCNC(=O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000195327174 536457617 /nfs/dbraw/zinc/45/76/17/536457617.db2.gz ZTNDUIRVUGQZRG-LBPRGKRZSA-N 0 0 325.434 1.310 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)C1 ZINC000190231734 526711674 /nfs/dbraw/zinc/71/16/74/526711674.db2.gz XILDYCACIJKFFM-GFCCVEGCSA-N 0 0 327.388 1.463 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC000190130221 526711692 /nfs/dbraw/zinc/71/16/92/526711692.db2.gz NJPZYUQTBFBBPA-CQSZACIVSA-N 0 0 334.395 1.324 10 0 EDAERN CC(C)(C)c1cc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)on1 ZINC000173941375 526758361 /nfs/dbraw/zinc/75/83/61/526758361.db2.gz WAPFZJAFFKCEDT-CYBMUJFWSA-N 0 0 336.436 1.317 10 0 EDAERN CC(C)CCC[C@H](C)NC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173930193 527705877 /nfs/dbraw/zinc/70/58/77/527705877.db2.gz DIKXASWYVUCNMX-IRXDYDNUSA-N 0 0 325.497 1.724 10 0 EDAERN CC(C)NC(=O)[C@H]1COCCN1Cc1ccc(Br)cn1 ZINC000168427234 527716848 /nfs/dbraw/zinc/71/68/48/527716848.db2.gz VEVDEZVZVSMIHL-CYBMUJFWSA-N 0 0 342.237 1.570 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000154583491 527719551 /nfs/dbraw/zinc/71/95/51/527719551.db2.gz WQDFYBHJYQURTG-MRXNPFEDSA-N 0 0 330.432 1.386 10 0 EDAERN CC(C)[C@H](O)CC(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000159009908 527720697 /nfs/dbraw/zinc/72/06/97/527720697.db2.gz GVLNYLNDTSTFMY-CJNGLKHVSA-N 0 0 330.388 1.613 10 0 EDAERN CCC[C@H](C)NC(=O)Cn1cc(N)c(C)c(Br)c1=O ZINC000165387059 528055670 /nfs/dbraw/zinc/05/56/70/528055670.db2.gz JLKQKDSKYYUKRS-QMMMGPOBSA-N 0 0 330.226 1.806 10 0 EDAERN CCNC(=O)[C@@H]1COCCN1c1ncc(Cl)cc1Br ZINC000159856922 528216226 /nfs/dbraw/zinc/21/62/26/528216226.db2.gz WKYTYSGPWIZESP-JTQLQIEISA-N 0 0 348.628 1.839 10 0 EDAERN CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177354577 528266047 /nfs/dbraw/zinc/26/60/47/528266047.db2.gz YIGXVAFJAZTROJ-CQSZACIVSA-N 0 0 342.403 1.362 10 0 EDAERN CCOC(=O)c1cnn(C)c1NC(=O)c1c(OC)cccc1OC ZINC000170526563 528312472 /nfs/dbraw/zinc/31/24/72/528312472.db2.gz KUBPHHPQDAGQKW-UHFFFAOYSA-N 0 0 333.344 1.866 10 0 EDAERN CCCNC(=O)[C@@H](C)Nc1ncc(I)cn1 ZINC000159043144 528422988 /nfs/dbraw/zinc/42/29/88/528422988.db2.gz HYSRFIDHHLHDPO-SSDOTTSWSA-N 0 0 334.161 1.408 10 0 EDAERN CCC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000136543760 528471949 /nfs/dbraw/zinc/47/19/49/528471949.db2.gz BMWTXDINTALMQC-HIFRSBDPSA-N 0 0 332.400 1.885 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H](CO)c1ccccc1)CC2 ZINC000181740070 528476290 /nfs/dbraw/zinc/47/62/90/528476290.db2.gz BNQQBJSPMHBMMO-LSDHHAIUSA-N 0 0 343.431 1.749 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176101226 528642742 /nfs/dbraw/zinc/64/27/42/528642742.db2.gz NKMVQTQTHIWQBG-CQSZACIVSA-N 0 0 327.388 1.820 10 0 EDAERN CC(C)n1ncc(NC[C@@H](C)[S@](C)=O)c(Br)c1=O ZINC000158693554 528652708 /nfs/dbraw/zinc/65/27/08/528652708.db2.gz NCRZWCTXGQITSR-NTCNTBNZSA-N 0 0 336.255 1.766 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000175034371 528737270 /nfs/dbraw/zinc/73/72/70/528737270.db2.gz JWYKXJFCCAUTLO-ZDUSSCGKSA-N 0 0 338.437 1.156 10 0 EDAERN CCC[C@@H](C(=O)NCc1ccccc1CS(C)(=O)=O)N(C)C ZINC000179541154 528845434 /nfs/dbraw/zinc/84/54/34/528845434.db2.gz NFRPVPSZIRRDHD-HNNXBMFYSA-N 0 0 326.462 1.578 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1C ZINC000173813606 528900997 /nfs/dbraw/zinc/90/09/97/528900997.db2.gz ZQRYDMKSUVDRAO-HOCLYGCPSA-N 0 0 346.427 1.974 10 0 EDAERN CC[C@H]1C(=O)N[C@@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168876114 529195389 /nfs/dbraw/zinc/19/53/89/529195389.db2.gz NWTCMOKIKTWYED-KWQFWETISA-N 0 0 326.194 1.470 10 0 EDAERN CC[C@H](C)[C@@H](C(=O)N1CC[C@@H](OC)C1)N1C(=O)c2ccccc2C1=O ZINC000170489005 529197795 /nfs/dbraw/zinc/19/77/95/529197795.db2.gz RIMQWJIHTMPDMG-ZENOOKHLSA-N 0 0 344.411 1.945 10 0 EDAERN CC1(C)CN(C(=O)c2cnn3ncccc23)C[C@]2(CCCOC2)O1 ZINC000333286373 535351402 /nfs/dbraw/zinc/35/14/02/535351402.db2.gz QMZXYYKBTYDCAT-KRWDZBQOSA-N 0 0 330.388 1.530 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)C12CCOCC2 ZINC000186455085 535402579 /nfs/dbraw/zinc/40/25/79/535402579.db2.gz XUELBXSQLPXJIL-HUUCEWRRSA-N 0 0 332.400 1.490 10 0 EDAERN CCC[C@@](C)(O)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000126260263 535532631 /nfs/dbraw/zinc/53/26/31/535532631.db2.gz SJBHAJLAYJURFL-QGZVFWFLSA-N 0 0 336.436 1.532 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)n1 ZINC000246731080 535578215 /nfs/dbraw/zinc/57/82/15/535578215.db2.gz JJLKBNNBDCADHQ-ZIAGYGMSSA-N 0 0 335.408 1.573 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000252321429 535603612 /nfs/dbraw/zinc/60/36/12/535603612.db2.gz AOEYNAJPXDKZCB-OAHLLOKOSA-N 0 0 347.459 1.870 10 0 EDAERN CCOCCN1CCN([C@@H](C)C(=O)NCc2ccccc2)C[C@H]1C ZINC000247038912 535607036 /nfs/dbraw/zinc/60/70/36/535607036.db2.gz DPMNFFCFKDCBJW-SJORKVTESA-N 0 0 333.476 1.734 10 0 EDAERN CCN1CCN(C(=O)[C@H](C)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000249885931 535639010 /nfs/dbraw/zinc/63/90/10/535639010.db2.gz PBSNCGRQLVGHQX-UONOGXRCSA-N 0 0 338.477 1.069 10 0 EDAERN CCOc1cc(C(=O)N2CCCNC(=O)[C@H]2C)cc(Cl)c1O ZINC000188067319 535663429 /nfs/dbraw/zinc/66/34/29/535663429.db2.gz DFOADUVMAVOUEU-SECBINFHSA-N 0 0 326.780 1.795 10 0 EDAERN CCC[C@H](CCO)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000175133124 535669175 /nfs/dbraw/zinc/66/91/75/535669175.db2.gz SRWHVJHANFHRTO-ZIAGYGMSSA-N 0 0 337.468 1.814 10 0 EDAERN CC[C@H](C(=O)[O-])[NH+]1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000262348340 536099041 /nfs/dbraw/zinc/09/90/41/536099041.db2.gz GWOFTUUJPGMKHU-MRXNPFEDSA-N 0 0 334.416 1.887 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(COC)c1)CC2 ZINC000114926218 536164142 /nfs/dbraw/zinc/16/41/42/536164142.db2.gz VDEZVZKTXDRZEP-OAHLLOKOSA-N 0 0 343.431 1.801 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)C(C)C ZINC000248904185 536379785 /nfs/dbraw/zinc/37/97/85/536379785.db2.gz USPGMEJKWDTVEE-BZUAXINKSA-N 0 0 333.432 1.977 10 0 EDAERN CN[C@H](C(=O)Nc1cc(C)c(C)c(C(=O)OC)c1)c1cnn(C)c1 ZINC000262543177 536387047 /nfs/dbraw/zinc/38/70/47/536387047.db2.gz NOESGNPHPILUGQ-HNNXBMFYSA-N 0 0 330.388 1.723 10 0 EDAERN CN[C@H](C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1)c1cnn(C)c1 ZINC000262056237 536387917 /nfs/dbraw/zinc/38/79/17/536387917.db2.gz HZFGDBMXZFWBMV-NHYWBVRUSA-N 0 0 345.403 1.293 10 0 EDAERN COC(=O)c1ccc(C(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)nc1 ZINC000187651895 536618062 /nfs/dbraw/zinc/61/80/62/536618062.db2.gz YEMOJXRNTGSXEE-UONOGXRCSA-N 0 0 346.408 1.778 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)C2 ZINC000246761304 537001094 /nfs/dbraw/zinc/00/10/94/537001094.db2.gz ORHZMQCJJQDCIK-OFQRWUPVSA-N 0 0 348.443 1.160 10 0 EDAERN CC(C)(C)OC(=O)CCc1nc(C2(N)CC[NH+](C3CC3)CC2)no1 ZINC000757184427 579965473 /nfs/dbraw/zinc/96/54/73/579965473.db2.gz XKCDOFQZKSWUJT-UHFFFAOYSA-N 0 0 336.436 1.756 10 0 EDAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ncccc1-n1ncc2ccccc21 ZINC000888092940 591022484 /nfs/dbraw/zinc/02/24/84/591022484.db2.gz ZJSBERUUBZSWNN-JSGCOSHPSA-N 0 0 349.394 1.817 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2nn3c(c2C)OCCC3)C12CCOCC2 ZINC000888094737 591024580 /nfs/dbraw/zinc/02/45/80/591024580.db2.gz CBNNTZRWCRNHIV-ZIAGYGMSSA-N 0 0 349.431 1.678 10 0 EDAERN Cc1cc(=O)c(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)cn1C ZINC000888095139 591025372 /nfs/dbraw/zinc/02/53/72/591025372.db2.gz QTYRVUFBEKVKSE-GOEBONIOSA-N 0 0 330.388 1.157 10 0 EDAERN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCn2c(nnc2C2CC2)C1 ZINC000896309569 591415977 /nfs/dbraw/zinc/41/59/77/591415977.db2.gz ZMGRJUWZFXBNTK-CQSZACIVSA-N 0 0 337.383 1.373 10 0 EDAERN O=C(CN1CCCCCCC1=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899077516 591674683 /nfs/dbraw/zinc/67/46/83/591674683.db2.gz ZCKNLHCBHPLOPX-OAHLLOKOSA-N 0 0 345.447 1.722 10 0 EDAERN CC(=O)NCCCOC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000103702189 593127338 /nfs/dbraw/zinc/12/73/38/593127338.db2.gz JXHLZMNVSOONME-MRXNPFEDSA-N 0 0 334.416 1.819 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)OCCCc1cnc2c(C)c(C)nn2c1 ZINC000103819205 593681135 /nfs/dbraw/zinc/68/11/35/593681135.db2.gz SJVVXTHTCBNFEN-ZIAGYGMSSA-N 0 0 331.372 1.631 10 0 EDAERN O=C(c1ccncc1)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818491831 593700927 /nfs/dbraw/zinc/70/09/27/593700927.db2.gz OSVYJOLYCRXCEH-KRWDZBQOSA-N 0 0 328.372 1.552 10 0 EDAERN COC(=O)N[C@@H](C(=O)OCCc1c[nH]nc1C(F)(F)F)C(C)C ZINC000108625085 595528048 /nfs/dbraw/zinc/52/80/48/595528048.db2.gz SOHKJMCPGOVCAW-SECBINFHSA-N 0 0 337.298 1.895 10 0 EDAERN CC(C)n1nnnc1CN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000109334659 595834265 /nfs/dbraw/zinc/83/42/65/595834265.db2.gz XPMXEJOWAWVLGD-HNNXBMFYSA-N 0 0 329.404 1.962 10 0 EDAERN CCn1c(=S)n(CN2C[C@@H](C)O[C@H](C)C2)nc1N1CCOCC1 ZINC000111677908 595903528 /nfs/dbraw/zinc/90/35/28/595903528.db2.gz QNYSXHBVFKGYGN-CHWSQXEVSA-N 0 0 341.481 1.337 10 0 EDAERN Cc1cc(C)c(C(=O)N2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)o1 ZINC000864680178 596305945 /nfs/dbraw/zinc/30/59/45/596305945.db2.gz IWGCPJQIJBSUEN-LBPRGKRZSA-N 0 0 344.371 1.428 10 0 EDAERN CCn1cc(C2CCN(Cn3nc(CO)n(C)c3=S)CC2)cn1 ZINC000120504327 596547119 /nfs/dbraw/zinc/54/71/19/596547119.db2.gz JTEGIVYZTAHWGP-UHFFFAOYSA-N 0 0 336.465 1.497 10 0 EDAERN C[C@@H]1CN(C(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000180139315 698625714 /nfs/dbraw/zinc/62/57/14/698625714.db2.gz TXQRNENLQWMZOB-RHSMWYFYSA-N 0 0 348.443 1.906 10 0 EDAERN C[C@@H]1CC(OC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000184331164 703117919 /nfs/dbraw/zinc/11/79/19/703117919.db2.gz SOIIRFPCBZQPCP-GADXADSLSA-N 0 0 349.431 1.829 10 0 EDAERN Cn1nccc1CCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000184492863 703313124 /nfs/dbraw/zinc/31/31/24/703313124.db2.gz WTWZLLQHGJWIJA-AWEZNQCLSA-N 0 0 348.428 1.181 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(F)(F)F ZINC000083770296 703700327 /nfs/dbraw/zinc/70/03/27/703700327.db2.gz ZDVDVPPGBSVQNH-SFYZADRCSA-N 0 0 343.298 1.987 10 0 EDAERN Cn1cc([C@H]2[C@@H](C(=O)OCC3(C)CCOCC3)CCC(=O)N2C)cn1 ZINC000185563114 704560697 /nfs/dbraw/zinc/56/06/97/704560697.db2.gz VIUMPOVYFPYBSO-HOCLYGCPSA-N 0 0 349.431 1.690 10 0 EDAERN C[NH2+][C@]1(C(=O)[O-])CC[C@H](n2cc(I)cn2)C1 ZINC000086627152 707548545 /nfs/dbraw/zinc/54/85/45/707548545.db2.gz BGUQQFWRMDDZKH-WCBMZHEXSA-N 0 0 335.145 1.256 10 0 EDAERN CCN1CCN(CC(=O)c2ccc(Br)cc2)C(=O)C1=O ZINC000050127131 214046870 /nfs/dbraw/zinc/04/68/70/214046870.db2.gz GLXNZBWQHGXYKJ-UHFFFAOYSA-N 0 0 339.189 1.323 10 0 EDAERN COc1ccc(C(=O)CN2C(=O)COCC2=O)cc1Br ZINC000050131232 214047052 /nfs/dbraw/zinc/04/70/52/214047052.db2.gz NNMPBPBAJARNHN-UHFFFAOYSA-N 0 0 342.145 1.026 10 0 EDAERN CO[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1N ZINC000050368362 214054390 /nfs/dbraw/zinc/05/43/90/214054390.db2.gz NAPPYFRECYBTOG-MNOVXSKESA-N 0 0 349.250 1.877 10 0 EDAERN C[C@H](CC(N)=S)NS(=O)(=O)c1ccc(Br)s1 ZINC000050391026 214055617 /nfs/dbraw/zinc/05/56/17/214055617.db2.gz YXHLAOARMYXPNF-RXMQYKEDSA-N 0 0 343.293 1.854 10 0 EDAERN CCNc1ncc(Br)cc1S(=O)(=O)NCCOC ZINC000050637296 214063880 /nfs/dbraw/zinc/06/38/80/214063880.db2.gz XVTVNOYQJSGGKR-UHFFFAOYSA-N 0 0 338.227 1.201 10 0 EDAERN CN(CC(C)(C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050675597 214065546 /nfs/dbraw/zinc/06/55/46/214065546.db2.gz OUMSPDMWMWYLIM-UHFFFAOYSA-N 0 0 334.463 1.339 10 0 EDAERN CCNC(=O)CNC(=O)c1cc(Br)cnc1NCC ZINC000050751304 214067770 /nfs/dbraw/zinc/06/77/70/214067770.db2.gz GUDYZUHWXVKGCE-UHFFFAOYSA-N 0 0 329.198 1.142 10 0 EDAERN CCCNc1ncc(C(=O)NCCCS(C)(=O)=O)cc1Cl ZINC000050776776 214069262 /nfs/dbraw/zinc/06/92/62/214069262.db2.gz JDXGXZKQUAZCLD-UHFFFAOYSA-N 0 0 333.841 1.721 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1CCN(C2CC2)CC1 ZINC000050791162 214070665 /nfs/dbraw/zinc/07/06/65/214070665.db2.gz JTSMDAYDKSZJLA-UHFFFAOYSA-N 0 0 339.237 1.806 10 0 EDAERN COc1cccc([C@H]2CCN2C(=O)C2CCN(CC(N)=O)CC2)c1 ZINC000097657352 219045282 /nfs/dbraw/zinc/04/52/82/219045282.db2.gz CXNLZYSYUNEBAG-MRXNPFEDSA-N 0 0 331.416 1.166 10 0 EDAERN COCCN[C@H](CO)c1cc(OC)c(OC)cc1Br ZINC000053292727 214174775 /nfs/dbraw/zinc/17/47/75/214174775.db2.gz VLEGQMXKZUWZBF-LLVKDONJSA-N 0 0 334.210 1.736 10 0 EDAERN Ic1cccc(-c2nnc3n2CCNC3)c1 ZINC000053709537 214195394 /nfs/dbraw/zinc/19/53/94/214195394.db2.gz GFNQKHYWUPPDOY-UHFFFAOYSA-N 0 0 326.141 1.653 10 0 EDAERN CC(C)[C@H](C)NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000053758316 214197683 /nfs/dbraw/zinc/19/76/83/214197683.db2.gz VUCHGGMCHPUIQM-JTQLQIEISA-N 0 0 341.371 1.863 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc3nc(N)sc3c2)C[C@H](C)O1 ZINC000053993859 214208822 /nfs/dbraw/zinc/20/88/22/214208822.db2.gz HEXVQQSXAPNTFK-DTORHVGOSA-N 0 0 327.431 1.676 10 0 EDAERN Cc1nc(CNc2ccc(S(N)(=O)=O)cc2Br)c[nH]1 ZINC000054822178 214256730 /nfs/dbraw/zinc/25/67/30/214256730.db2.gz GGFOKXSUAOWQBX-UHFFFAOYSA-N 0 0 345.222 1.740 10 0 EDAERN CN(c1nc2c(s1)C(=O)CC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000054862442 214258576 /nfs/dbraw/zinc/25/85/76/214258576.db2.gz XYXKJVCXBDSGGS-VIFPVBQESA-N 0 0 328.459 1.922 10 0 EDAERN O=C(CC1CCC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000173551734 230968520 /nfs/dbraw/zinc/96/85/20/230968520.db2.gz SYBNBIZLPWASDZ-KRWDZBQOSA-N 0 0 332.444 1.761 10 0 EDAERN Cc1cc[nH+]c(NCCNC(=O)c2ccccc2NCC(=O)[O-])c1 ZINC000055385768 214315932 /nfs/dbraw/zinc/31/59/32/214315932.db2.gz IPAVYYLVWZEJPK-UHFFFAOYSA-N 0 0 328.372 1.728 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1 ZINC000173752072 231023440 /nfs/dbraw/zinc/02/34/40/231023440.db2.gz ROBIVVQSDSAVDO-MNOVXSKESA-N 0 0 331.463 1.095 10 0 EDAERN Cc1nn(C)c(C)c1CCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173826381 231044883 /nfs/dbraw/zinc/04/48/83/231044883.db2.gz INWSSGNESHMWAI-SUMWQHHRSA-N 0 0 334.464 1.149 10 0 EDAERN O=C(Nc1ccc(-n2ccnn2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173900260 231065489 /nfs/dbraw/zinc/06/54/89/231065489.db2.gz KGSAUIVEBHQQFB-MRXNPFEDSA-N 0 0 342.403 1.206 10 0 EDAERN Cc1nn(C)c2ncc(CN3CCN(Cc4ccon4)CC3)cc12 ZINC000173936573 231074651 /nfs/dbraw/zinc/07/46/51/231074651.db2.gz QYVLPXFDVIZKBE-UHFFFAOYSA-N 0 0 326.404 1.583 10 0 EDAERN C[C@H]1CN(C(=O)c2c(Cl)nc3ccccn32)C[C@H]1N1CCOCC1 ZINC000173964612 231084505 /nfs/dbraw/zinc/08/45/05/231084505.db2.gz FICKBYQMMPDHRE-QWHCGFSZSA-N 0 0 348.834 1.780 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCCCNC1=O ZINC000056978415 214398707 /nfs/dbraw/zinc/39/87/07/214398707.db2.gz UMYDPODGFKEAGZ-IMJJTQAJSA-N 0 0 345.443 1.616 10 0 EDAERN CC[C@@H]1NC(=O)[C@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168888305 529463519 /nfs/dbraw/zinc/46/35/19/529463519.db2.gz ZSCWQVSFEVADDR-KWQFWETISA-N 0 0 326.194 1.470 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)n(C)n1 ZINC000177974266 529538504 /nfs/dbraw/zinc/53/85/04/529538504.db2.gz YCRYUEUKPPYJPQ-CQSZACIVSA-N 0 0 344.419 1.117 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC3(Cl)Cl)C2=O)n(C)n1 ZINC000174990663 231361585 /nfs/dbraw/zinc/36/15/85/231361585.db2.gz YXMSMEGSRGLIQB-VHSXEESVSA-N 0 0 345.230 1.534 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175193696 231402668 /nfs/dbraw/zinc/40/26/68/231402668.db2.gz LXWSZZKULANOJW-MRXNPFEDSA-N 0 0 335.496 1.410 10 0 EDAERN CC=CC=CC(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000097996306 219066496 /nfs/dbraw/zinc/06/64/96/219066496.db2.gz QKPZBVACIGGOKG-RZSVFLSASA-N 0 0 337.397 1.941 10 0 EDAERN CCn1nc(C)c(Br)c1C[C@H](NN)c1cnns1 ZINC000158289566 529599754 /nfs/dbraw/zinc/59/97/54/529599754.db2.gz UWTSFRYEXXQADC-ZETCQYMHSA-N 0 0 331.243 1.573 10 0 EDAERN CCc1ccc(C(=O)NCCn2cc(C)cn2)cc1S(C)(=O)=O ZINC000155590658 529604244 /nfs/dbraw/zinc/60/42/44/529604244.db2.gz MFHDOPKGIYDHLY-UHFFFAOYSA-N 0 0 335.429 1.587 10 0 EDAERN CCN(CC)C(=O)NCCc1nn2c(nnc2C(F)(F)F)s1 ZINC000049735429 214030354 /nfs/dbraw/zinc/03/03/54/214030354.db2.gz VVQMNDZDKIMCIC-UHFFFAOYSA-N 0 0 336.343 1.799 10 0 EDAERN CN(C(=O)c1nnc(-c2cccc(F)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000049685962 214026867 /nfs/dbraw/zinc/02/68/67/214026867.db2.gz NXFFCMGEIBVFSI-NSHDSACASA-N 0 0 339.348 1.135 10 0 EDAERN CC(=O)N1CCN(C(=O)CCc2ccc3[nH]c(=O)c(C)cc3c2)CC1 ZINC000049681462 214026951 /nfs/dbraw/zinc/02/69/51/214026951.db2.gz XKVBVRVRTFNHIJ-UHFFFAOYSA-N 0 0 341.411 1.460 10 0 EDAERN O=C(c1cc2c3c(c1)CC(=O)N3CC2)N1CCC2(CC1)OCCO2 ZINC000049659531 214025724 /nfs/dbraw/zinc/02/57/24/214025724.db2.gz LVHIRZVYTWKQRX-UHFFFAOYSA-N 0 0 328.368 1.111 10 0 EDAERN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C(C(N)=O)=C(N)O2 ZINC000058903654 214609510 /nfs/dbraw/zinc/60/95/10/214609510.db2.gz VIOKKVBOPCMFFN-OAHLLOKOSA-N 0 0 347.378 1.756 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000181812762 529697631 /nfs/dbraw/zinc/69/76/31/529697631.db2.gz AWPIYCAXQJRDNU-KRWDZBQOSA-N 0 0 349.450 1.955 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)Oc2ccccc2)CC1 ZINC000181762389 529698476 /nfs/dbraw/zinc/69/84/76/529698476.db2.gz OGQGSWZAGSWOJW-CVEARBPZSA-N 0 0 335.448 1.552 10 0 EDAERN O=S(=O)(c1cccnc1)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000049482023 214011750 /nfs/dbraw/zinc/01/17/50/214011750.db2.gz NENGHMYGMTYBAK-UHFFFAOYSA-N 0 0 342.380 1.920 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CS(=O)(=O)C(C)(C)C ZINC000155641557 529750295 /nfs/dbraw/zinc/75/02/95/529750295.db2.gz OMYMNLLZDVGIOX-SNVBAGLBSA-N 0 0 328.438 1.005 10 0 EDAERN CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1ccccc1F)CC2 ZINC000174085358 529751036 /nfs/dbraw/zinc/75/10/36/529751036.db2.gz FWPAIDBZUAZCHP-ZBEGNZNMSA-N 0 0 332.379 1.798 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1occc1Br)CC2 ZINC000176085732 529751510 /nfs/dbraw/zinc/75/15/10/529751510.db2.gz GFPNGGCBQRCYNX-MRVPVSSYSA-N 0 0 339.193 1.941 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCc2nc(C)no2)C1 ZINC000152705368 529760449 /nfs/dbraw/zinc/76/04/49/529760449.db2.gz WGHXDSDETLBNKK-CYBMUJFWSA-N 0 0 332.408 1.726 10 0 EDAERN CS(=O)(=O)N1CCc2ccc(NC(=O)NC3CCOCC3)cc21 ZINC000062370096 214714137 /nfs/dbraw/zinc/71/41/37/214714137.db2.gz WGTJFEHFOMOPFU-UHFFFAOYSA-N 0 0 339.417 1.309 10 0 EDAERN CNC(=O)CCCN(C)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000153698775 529850794 /nfs/dbraw/zinc/85/07/94/529850794.db2.gz GJTQUGKFNANCFR-KRWDZBQOSA-N 0 0 347.459 1.734 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCC(Cn2cccn2)CC1 ZINC000177340827 231864208 /nfs/dbraw/zinc/86/42/08/231864208.db2.gz WXGVPKZJMVAJAV-CQSZACIVSA-N 0 0 329.408 1.431 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000158662231 529902962 /nfs/dbraw/zinc/90/29/62/529902962.db2.gz WHUHYWLNEOCGPB-HOCLYGCPSA-N 0 0 348.422 1.715 10 0 EDAERN CNC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCO1 ZINC000181545101 529927322 /nfs/dbraw/zinc/92/73/22/529927322.db2.gz ZANWSBYBIIXZBI-TVQRCGJNSA-N 0 0 327.331 1.182 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000159190025 529923822 /nfs/dbraw/zinc/92/38/22/529923822.db2.gz CUMJZDPBNBLKEC-NVXWUHKLSA-N 0 0 344.459 1.884 10 0 EDAERN NC(=O)CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 ZINC000004328298 210172081 /nfs/dbraw/zinc/17/20/81/210172081.db2.gz IVTMYFCBSOUXRS-UHFFFAOYSA-N 0 0 338.370 1.097 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000177520135 231916844 /nfs/dbraw/zinc/91/68/44/231916844.db2.gz INDMWGZNFIJCOT-ZDUSSCGKSA-N 0 0 331.397 1.990 10 0 EDAERN COCCC1(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CCC1 ZINC000177624286 231942349 /nfs/dbraw/zinc/94/23/49/231942349.db2.gz AKOVMPXIHVIYCJ-AWEZNQCLSA-N 0 0 348.447 1.547 10 0 EDAERN CN(Cc1cc(N)ccc1Cl)C(=O)[C@H]1CCCCS1(=O)=O ZINC000167833329 529980434 /nfs/dbraw/zinc/98/04/34/529980434.db2.gz ADNJEAWQKDLWTN-CYBMUJFWSA-N 0 0 330.837 1.848 10 0 EDAERN CCc1nc(Br)c(Br)n1C[C@H]([NH3+])C(=O)[O-] ZINC000725255830 539392623 /nfs/dbraw/zinc/39/26/23/539392623.db2.gz CLDCABXAOZTCDF-BYPYZUCNSA-N 0 0 341.003 1.382 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000187700223 530016868 /nfs/dbraw/zinc/01/68/68/530016868.db2.gz SSVQGRYDOPYKCI-LBPRGKRZSA-N 0 0 335.429 1.749 10 0 EDAERN CN(Cc1nccs1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000175060978 530028596 /nfs/dbraw/zinc/02/85/96/530028596.db2.gz GXRDILIUJFXWLS-NSHDSACASA-N 0 0 331.397 1.232 10 0 EDAERN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N1CCN2CCCC[C@@H]2C1 ZINC000178381590 232150476 /nfs/dbraw/zinc/15/04/76/232150476.db2.gz GHGQFBFNQASMSW-OAHLLOKOSA-N 0 0 349.456 1.718 10 0 EDAERN CCOc1ccccc1C(=O)N[C@H](CO)[C@H](O)c1ccc(N)cc1 ZINC000066142512 215017227 /nfs/dbraw/zinc/01/72/27/215017227.db2.gz PXHAHDOABNEUQW-NVXWUHKLSA-N 0 0 330.384 1.492 10 0 EDAERN COc1ccc(S(=O)(=O)N(C)Cc2csc(C)n2)cc1N ZINC000044608844 213636858 /nfs/dbraw/zinc/63/68/58/213636858.db2.gz VVNOVAGSJHRJAR-UHFFFAOYSA-N 0 0 327.431 1.863 10 0 EDAERN C[C@H](CO)[C@H](C)NC(=O)C1CCC(C(=O)N[C@@H](C)[C@H](C)CO)CC1 ZINC000245654146 539594826 /nfs/dbraw/zinc/59/48/26/539594826.db2.gz KTGZPZWLTGMFNE-FVAZMBRWSA-N 0 0 342.480 1.059 10 0 EDAERN CN1CCn2nc(C(=O)NCc3nnc(-c4ccccc4)[nH]3)cc2C1 ZINC000067755913 215205193 /nfs/dbraw/zinc/20/51/93/215205193.db2.gz DRIIRRQUGXHKMP-UHFFFAOYSA-N 0 0 337.387 1.044 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCN(C)C(=O)C1 ZINC000248899817 539694556 /nfs/dbraw/zinc/69/45/56/539694556.db2.gz KRDLHWUYGAETNI-QRTARXTBSA-N 0 0 345.443 1.568 10 0 EDAERN Cc1cc(NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)no1 ZINC000041427352 213445499 /nfs/dbraw/zinc/44/54/99/213445499.db2.gz FLVPRCQSHMDXKV-UHFFFAOYSA-N 0 0 337.401 1.825 10 0 EDAERN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OC(C)(C)C ZINC000669380917 539742156 /nfs/dbraw/zinc/74/21/56/539742156.db2.gz SBWOTAYEIFKZMG-GFCCVEGCSA-N 0 0 328.409 1.909 10 0 EDAERN COCCC1(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CCC1 ZINC000151668980 539761911 /nfs/dbraw/zinc/76/19/11/539761911.db2.gz FRSSWTQTWLSNOP-ZDUSSCGKSA-N 0 0 344.411 1.994 10 0 EDAERN C[C@H]1COC[C@H](C)N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000040635195 213362940 /nfs/dbraw/zinc/36/29/40/213362940.db2.gz OKCJVFMPRQWTNX-STQMWFEESA-N 0 0 338.429 1.611 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180578876 233911841 /nfs/dbraw/zinc/91/18/41/233911841.db2.gz HPFFQYVBJYJYQL-UKRRQHHQSA-N 0 0 342.399 1.683 10 0 EDAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000180878227 234017476 /nfs/dbraw/zinc/01/74/76/234017476.db2.gz KVOJHSOGBSBPHL-VHSXEESVSA-N 0 0 347.341 1.560 10 0 EDAERN Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000127445633 222840922 /nfs/dbraw/zinc/84/09/22/222840922.db2.gz QERJTWZHILJVFX-JTQLQIEISA-N 0 0 326.809 1.533 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cnn4c3CCCC4)C2)n1 ZINC000127478839 222845901 /nfs/dbraw/zinc/84/59/01/222845901.db2.gz KDOPVJLUBALTOB-HNNXBMFYSA-N 0 0 342.447 1.980 10 0 EDAERN Cc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1Cl ZINC000040217182 213282334 /nfs/dbraw/zinc/28/23/34/213282334.db2.gz UKDCJCZZJMSFEL-UHFFFAOYSA-N 0 0 332.813 1.001 10 0 EDAERN C=CC(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCC1 ZINC000040210151 213281385 /nfs/dbraw/zinc/28/13/85/213281385.db2.gz PFUGSRFFYAUJJV-UHFFFAOYSA-N 0 0 340.427 1.894 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)Cn3c(C)cc(O)cc3=O)C2)no1 ZINC000127972664 222903591 /nfs/dbraw/zinc/90/35/91/222903591.db2.gz QZZAADPKHURUMQ-ZDUSSCGKSA-N 0 0 346.387 1.035 10 0 EDAERN Cc1cnn(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2 ZINC000038507133 213212304 /nfs/dbraw/zinc/21/23/04/213212304.db2.gz YICWPOMVDSPHGQ-UHFFFAOYSA-N 0 0 333.417 1.129 10 0 EDAERN COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CCCn3ncnc31)C2 ZINC000177567812 540105282 /nfs/dbraw/zinc/10/52/82/540105282.db2.gz WYQFTNRIRSSRRX-GXTWGEPZSA-N 0 0 328.372 1.489 10 0 EDAERN C[C@H](NCc1cn2cccnc2n1)c1ccc(S(N)(=O)=O)cc1 ZINC000182860815 540134038 /nfs/dbraw/zinc/13/40/38/540134038.db2.gz ZEMSJULPVGGSIK-NSHDSACASA-N 0 0 331.401 1.228 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1nnc2n(C)[nH]c(CC)c1-2 ZINC000184413234 540143304 /nfs/dbraw/zinc/14/33/04/540143304.db2.gz IJOXDXGDQFZWQH-LBPRGKRZSA-N 0 0 334.424 1.298 10 0 EDAERN CC(C)c1ccnc(N2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)n1 ZINC000184383343 540143598 /nfs/dbraw/zinc/14/35/98/540143598.db2.gz FMJOMAJJZIYWHU-HOCLYGCPSA-N 0 0 347.463 1.999 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](CCc2ccccc2)C1)C(C)C ZINC000183771627 540141166 /nfs/dbraw/zinc/14/11/66/540141166.db2.gz CVLCMAHEEXQJKM-IAGOWNOFSA-N 0 0 347.459 1.800 10 0 EDAERN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000184299414 235360416 /nfs/dbraw/zinc/36/04/16/235360416.db2.gz RKFMYRVLUAHGSU-OAHLLOKOSA-N 0 0 346.427 1.697 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000056019321 138149597 /nfs/dbraw/zinc/14/95/97/138149597.db2.gz SNTDFWDXQJPNNR-GFCCVEGCSA-N 0 0 329.404 1.525 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000077154224 138251591 /nfs/dbraw/zinc/25/15/91/138251591.db2.gz JQWBKJCZFIULJK-CZUORRHYSA-N 0 0 327.384 1.722 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1F ZINC000084179920 138269668 /nfs/dbraw/zinc/26/96/68/138269668.db2.gz FESXLVVJRSJMGX-CABZTGNLSA-N 0 0 330.381 1.031 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(-c2nncn2C)c1)[C@@H]1CCCO1 ZINC000078728208 138258662 /nfs/dbraw/zinc/25/86/62/138258662.db2.gz ITXPUCAPZNTKAL-FZMZJTMJSA-N 0 0 343.387 1.104 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCCN1CCCCCC1=O ZINC000078939989 138259504 /nfs/dbraw/zinc/25/95/04/138259504.db2.gz SCZOEIRXGUNUBD-CYBMUJFWSA-N 0 0 335.404 1.307 10 0 EDAERN NC(=O)[C@H]1COCCN1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000092229596 138287071 /nfs/dbraw/zinc/28/70/71/138287071.db2.gz AIQMNLUTLQYGEE-QGZVFWFLSA-N 0 0 339.395 1.625 10 0 EDAERN C[C@H](NC(=O)CSC[C@H](O)CO)c1ccc(Br)cc1 ZINC000093958592 138295140 /nfs/dbraw/zinc/29/51/40/138295140.db2.gz RYOPDQCDCGQUNM-JOYOIKCWSA-N 0 0 348.262 1.713 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC000110757460 138307290 /nfs/dbraw/zinc/30/72/90/138307290.db2.gz WPLZWKYMXHXUJZ-ZDUSSCGKSA-N 0 0 342.465 1.075 10 0 EDAERN NC(=O)CN1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000037979761 213181572 /nfs/dbraw/zinc/18/15/72/213181572.db2.gz SSLKLHQCUKSETQ-UHFFFAOYSA-N 0 0 331.203 1.068 10 0 EDAERN COc1ccc(CC[C@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112746583 138309514 /nfs/dbraw/zinc/30/95/14/138309514.db2.gz TYBWPPIWEOCSOR-ZFWWWQNUSA-N 0 0 343.431 1.922 10 0 EDAERN O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000112658131 138309545 /nfs/dbraw/zinc/30/95/45/138309545.db2.gz FCHNBXSQRNUKFZ-CQSZACIVSA-N 0 0 348.451 1.121 10 0 EDAERN CCOc1ccc(CC(=O)N[C@H]2CCc3nc(CC)nn3C2)cc1 ZINC000114870539 138310766 /nfs/dbraw/zinc/31/07/66/138310766.db2.gz GTFPLCYTJOZMNK-AWEZNQCLSA-N 0 0 328.416 1.913 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCc3cscn3)CC2)cn1 ZINC000115814251 138311475 /nfs/dbraw/zinc/31/14/75/138311475.db2.gz FAWLOURCAZUTSP-UHFFFAOYSA-N 0 0 334.449 1.294 10 0 EDAERN O=C(NCCNC(=O)N1CCC[C@@H]1c1ccco1)c1cccnc1 ZINC000116529193 138311960 /nfs/dbraw/zinc/31/19/60/138311960.db2.gz GMSDQBPQLNMUFY-CQSZACIVSA-N 0 0 328.372 1.951 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CNC(=O)CCC(C)C)C2)n1 ZINC000116775396 138312042 /nfs/dbraw/zinc/31/20/42/138312042.db2.gz KYZBDUOSYVXLMU-MRXNPFEDSA-N 0 0 349.479 1.686 10 0 EDAERN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000125141584 138332414 /nfs/dbraw/zinc/33/24/14/138332414.db2.gz TWEZFFYFJXKXRS-CQSZACIVSA-N 0 0 330.432 1.907 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000130478390 138341562 /nfs/dbraw/zinc/34/15/62/138341562.db2.gz QEBHWTAWOZVVGU-FPCVCCKLSA-N 0 0 340.464 1.818 10 0 EDAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000130853142 138348422 /nfs/dbraw/zinc/34/84/22/138348422.db2.gz KMHJIOCWBYGSLM-HIFRSBDPSA-N 0 0 336.436 1.503 10 0 EDAERN C[C@@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)C1CCOCC1 ZINC000131826520 138366552 /nfs/dbraw/zinc/36/65/52/138366552.db2.gz NWWPKYWXJDYCEZ-CQSZACIVSA-N 0 0 332.448 1.967 10 0 EDAERN Cc1ccc(NCCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)nn1 ZINC000069869427 215610559 /nfs/dbraw/zinc/61/05/59/215610559.db2.gz BCSLSLYWZATESF-CQSZACIVSA-N 0 0 326.356 1.095 10 0 EDAERN O=C(CNC(=O)c1cccc(F)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135715092 138427894 /nfs/dbraw/zinc/42/78/94/138427894.db2.gz VQDPAVRHUBOJEV-MRXNPFEDSA-N 0 0 343.358 1.630 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135364570 138423435 /nfs/dbraw/zinc/42/34/35/138423435.db2.gz BKIDZLCBMOGGQG-GFCCVEGCSA-N 0 0 342.465 1.397 10 0 EDAERN C[C@@H](NC(=O)NCCCO[C@H]1CCOC1)c1nnc2n1CCCC2 ZINC000152314389 138471213 /nfs/dbraw/zinc/47/12/13/138471213.db2.gz YBOJKAJDNVCPCK-OLZOCXBDSA-N 0 0 337.424 1.170 10 0 EDAERN COC(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000178381081 291117478 /nfs/dbraw/zinc/11/74/78/291117478.db2.gz KANIALAYTJTHKI-NEPJUHHUSA-N 0 0 335.408 1.413 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000070431468 215690458 /nfs/dbraw/zinc/69/04/58/215690458.db2.gz ALWVDOVCQUFOIW-QWRGUYRKSA-N 0 0 328.459 1.427 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1c(CC)noc1CC)CC2 ZINC000154992387 138527331 /nfs/dbraw/zinc/52/73/31/138527331.db2.gz DQEUVZXEEVQEOU-NSHDSACASA-N 0 0 331.420 1.627 10 0 EDAERN COc1ccc(-c2cc3c(N4CC[C@H](O)C4)nccn3n2)cc1OC ZINC000070459370 215696583 /nfs/dbraw/zinc/69/65/83/215696583.db2.gz WIFBNHSWRJZZAQ-ZDUSSCGKSA-N 0 0 340.383 1.985 10 0 EDAERN CCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)on2)s1 ZINC000036100933 213067280 /nfs/dbraw/zinc/06/72/80/213067280.db2.gz QNNDHMNKUNMJKP-VIFPVBQESA-N 0 0 343.430 1.912 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(CC(N)=O)C(C)C ZINC000070690049 215707007 /nfs/dbraw/zinc/70/70/07/215707007.db2.gz HBGAGUFFPNBTQX-CZUORRHYSA-N 0 0 333.432 1.553 10 0 EDAERN O=C(CNC(=O)c1cccnc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187612279 236259196 /nfs/dbraw/zinc/25/91/96/236259196.db2.gz GWJFTQXRPPOQOR-GJZGRUSLSA-N 0 0 345.424 1.107 10 0 EDAERN O=C(Nc1ccc2ccccc2c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187984847 236372177 /nfs/dbraw/zinc/37/21/77/236372177.db2.gz AJSWKJYBEABZNH-UHFFFAOYSA-N 0 0 337.379 1.515 10 0 EDAERN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188016159 236385376 /nfs/dbraw/zinc/38/53/76/236385376.db2.gz NTNMDWFIEQWBGI-UHFFFAOYSA-N 0 0 337.326 1.030 10 0 EDAERN O=C(c1cccc(-n2cncn2)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127050024 138613802 /nfs/dbraw/zinc/61/38/02/138613802.db2.gz YANIHMNBMUBKGD-CQSZACIVSA-N 0 0 337.387 1.411 10 0 EDAERN COC[C@@H](O)CNC(=O)CSc1ccc(Br)cc1 ZINC000071268174 215747240 /nfs/dbraw/zinc/74/72/40/215747240.db2.gz IUOXFNZKHXJMFM-JTQLQIEISA-N 0 0 334.235 1.665 10 0 EDAERN CN(Cc1ccccc1Br)C(=O)C[NH2+]CCC(=O)[O-] ZINC000035386164 213024306 /nfs/dbraw/zinc/02/43/06/213024306.db2.gz CMJVCJIYWJAJSX-UHFFFAOYSA-N 0 0 329.194 1.472 10 0 EDAERN COC[C@@H](O)CNC(=O)/C=C/c1ccc(C)cc1Br ZINC000071268564 215747788 /nfs/dbraw/zinc/74/77/88/215747788.db2.gz PTHKBIQMWPIHLC-FYJFLYSWSA-N 0 0 328.206 1.894 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000171523496 138657630 /nfs/dbraw/zinc/65/76/30/138657630.db2.gz RMHODMMHFZFOHS-CQSZACIVSA-N 0 0 338.367 1.514 10 0 EDAERN Cc1nc2ccc(C(F)(F)F)cn2c1C(=O)N1CCN(C=O)CC1 ZINC000071469152 215778627 /nfs/dbraw/zinc/77/86/27/215778627.db2.gz MHBVKDUIRAYDNP-UHFFFAOYSA-N 0 0 340.305 1.576 10 0 EDAERN COc1ccc(CC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1F ZINC000173527347 138671334 /nfs/dbraw/zinc/67/13/34/138671334.db2.gz BAJPDQKTHWPNCM-AWEZNQCLSA-N 0 0 334.351 1.403 10 0 EDAERN CCOCCNC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000175944334 138702311 /nfs/dbraw/zinc/70/23/11/138702311.db2.gz RZMCPEQCWFQYJP-AWEZNQCLSA-N 0 0 335.452 1.294 10 0 EDAERN Cc1ccc(CNC(=O)CN2c3ccccc3C(=O)N(C)CC2=O)o1 ZINC000033086304 212896243 /nfs/dbraw/zinc/89/62/43/212896243.db2.gz YVANXOSYYUYSHT-UHFFFAOYSA-N 0 0 341.367 1.323 10 0 EDAERN Cc1cnn(CCNC(=O)c2ncccc2OCC(F)(F)F)c1 ZINC000177488480 237391691 /nfs/dbraw/zinc/39/16/91/237391691.db2.gz STGPCNRZPCGOND-UHFFFAOYSA-N 0 0 328.294 1.958 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000037055235 213131758 /nfs/dbraw/zinc/13/17/58/213131758.db2.gz AYWPZBOZIBRHSK-VIFPVBQESA-N 0 0 335.223 1.489 10 0 EDAERN COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CNC(=O)C1 ZINC000107158096 219748681 /nfs/dbraw/zinc/74/86/81/219748681.db2.gz IXXWAIVXXDBEIU-NSHDSACASA-N 0 0 328.771 1.590 10 0 EDAERN CC(C)S(=O)(=O)CC(=O)Nc1ccc(N)cc1Br ZINC000037687121 213162892 /nfs/dbraw/zinc/16/28/92/213162892.db2.gz SSJJYCAEBMSHMN-UHFFFAOYSA-N 0 0 335.223 1.793 10 0 EDAERN COc1cccc(NC(=S)c2c(N)[nH]c(N3CCCC3)nc2=O)c1 ZINC000072450615 216238817 /nfs/dbraw/zinc/23/88/17/216238817.db2.gz WTZDJHMSJBVPPE-UHFFFAOYSA-N 0 0 345.428 1.749 10 0 EDAERN Cc1c(-c2ccnc(N3CCc4ccccc43)n2)nnc2ncnn21 ZINC000072452371 216239989 /nfs/dbraw/zinc/23/99/89/216239989.db2.gz WQWHSJGCXZWPDS-UHFFFAOYSA-N 0 0 330.355 1.979 10 0 EDAERN O[C@H](COCc1ccccc1)CN1CCN(CC(F)(F)F)CC1 ZINC000073139509 216355162 /nfs/dbraw/zinc/35/51/62/216355162.db2.gz OUQYKPWKLSDFJV-HNNXBMFYSA-N 0 0 332.366 1.744 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CCCOc1ccc(F)cc1F ZINC000188859079 138853840 /nfs/dbraw/zinc/85/38/40/138853840.db2.gz ZOXZKZHMRMVFMR-NSHDSACASA-N 0 0 326.343 1.861 10 0 EDAERN O=C(NCCCN1C(=O)CNC1=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109125427 219948672 /nfs/dbraw/zinc/94/86/72/219948672.db2.gz ULMZPCIBTLYRGV-MNOVXSKESA-N 0 0 337.326 1.126 10 0 EDAERN Cc1oc(-c2ccco2)nc1CC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189448113 138873740 /nfs/dbraw/zinc/87/37/40/138873740.db2.gz MCDRAWROIJWSAC-UHFFFAOYSA-N 0 0 329.356 1.523 10 0 EDAERN COc1ccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(C)nn32)cc1OC ZINC000020804555 212173346 /nfs/dbraw/zinc/17/33/46/212173346.db2.gz PSXIWFLWJFFKAU-CQSZACIVSA-N 0 0 329.360 1.378 10 0 EDAERN CN(CC(=O)N[C@H]1CCCC[C@@H]1CO)C(=O)OCc1ccccc1 ZINC000191853087 138926098 /nfs/dbraw/zinc/92/60/98/138926098.db2.gz UCENSGPYEWSMAA-CVEARBPZSA-N 0 0 334.416 1.922 10 0 EDAERN O=S1(=O)CC[C@@H](Nc2cccc(I)c2)C1 ZINC000020362447 212122147 /nfs/dbraw/zinc/12/21/47/212122147.db2.gz DAJBGNTXQAWDDZ-SNVBAGLBSA-N 0 0 337.182 1.890 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCc3cccnc32)C[C@H]1N1CCOCC1 ZINC000192612937 138949122 /nfs/dbraw/zinc/94/91/22/138949122.db2.gz MSSOEHWUWZLCCM-DJIMGWMZSA-N 0 0 329.444 1.681 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)C1=NN(c2ccccc2)C(=O)CC1 ZINC000177521716 284190880 /nfs/dbraw/zinc/19/08/80/284190880.db2.gz VUTSQNKCDDVRGQ-ZDUSSCGKSA-N 0 0 338.371 1.412 10 0 EDAERN Cc1ccc(CCCC(=O)N2CCO[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000040666259 213366920 /nfs/dbraw/zinc/36/69/20/213366920.db2.gz NKTKJQCCVLXRES-HOTGVXAUSA-N 0 0 337.441 1.342 10 0 EDAERN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1nnc(C2CC2)n1C ZINC000195013794 284197774 /nfs/dbraw/zinc/19/77/74/284197774.db2.gz WONAZLFJUPYJDY-HNNXBMFYSA-N 0 0 326.400 1.792 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000194684810 138998477 /nfs/dbraw/zinc/99/84/77/138998477.db2.gz IFWKNIDAHWZPNM-INIZCTEOSA-N 0 0 331.351 1.713 10 0 EDAERN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1CNC(=O)C1 ZINC000194769321 139000306 /nfs/dbraw/zinc/00/03/06/139000306.db2.gz KPDJITSFZDKMLF-ZDUSSCGKSA-N 0 0 339.399 1.746 10 0 EDAERN COC(=O)c1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000195256061 139011438 /nfs/dbraw/zinc/01/14/38/139011438.db2.gz CKYDZCUVDGOVEZ-CQSZACIVSA-N 0 0 342.399 1.933 10 0 EDAERN O=C(Nc1ccccc1-n1ccnn1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195271307 139012047 /nfs/dbraw/zinc/01/20/47/139012047.db2.gz IVKUCNLOCPWWPK-CQSZACIVSA-N 0 0 349.350 1.456 10 0 EDAERN CC(=O)N1CCN(C(=O)CN2CCC[C@H]2c2noc(C(C)C)n2)CC1 ZINC000195374648 139015582 /nfs/dbraw/zinc/01/55/82/139015582.db2.gz FLKKWVDUVXHMEX-AWEZNQCLSA-N 0 0 349.435 1.021 10 0 EDAERN CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000048839326 213969175 /nfs/dbraw/zinc/96/91/75/213969175.db2.gz SVJKNVNEYCAHGU-UHFFFAOYSA-N 0 0 332.447 1.517 10 0 EDAERN NNc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc[nH+]1 ZINC000049560625 214018449 /nfs/dbraw/zinc/01/84/49/214018449.db2.gz QSCOVPANRQHCEI-UHFFFAOYSA-N 0 0 325.419 1.503 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000195519832 139019467 /nfs/dbraw/zinc/01/94/67/139019467.db2.gz NNQMKAGHFDRLCD-BETUJISGSA-N 0 0 327.450 1.607 10 0 EDAERN Cc1nnc2sc(CNC(=O)c3ccc(F)c(F)c3F)nn12 ZINC000049721834 214029000 /nfs/dbraw/zinc/02/90/00/214029000.db2.gz ZTWKPFIJFAYMGT-UHFFFAOYSA-N 0 0 327.291 1.842 10 0 EDAERN CNc1nc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cs1 ZINC000049717619 214029315 /nfs/dbraw/zinc/02/93/15/214029315.db2.gz NECLKRCKZRVHFX-UHFFFAOYSA-N 0 0 344.396 1.140 10 0 EDAERN C[C@H]1OCC[C@@H]1NC(=O)c1cc(I)ccc1O ZINC000235721320 139026288 /nfs/dbraw/zinc/02/62/88/139026288.db2.gz IFHPCIIKQUFQGY-XCBNKYQSSA-N 0 0 347.152 1.904 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)COc2ccccc2C=O)C1 ZINC000110753866 220064224 /nfs/dbraw/zinc/06/42/24/220064224.db2.gz LGNVCACRSZDMSG-CQSZACIVSA-N 0 0 342.399 1.896 10 0 EDAERN Cc1cc(C)n2nc(C(=O)N3CCO[C@H](c4nccs4)C3)nc2n1 ZINC000110876058 220074182 /nfs/dbraw/zinc/07/41/82/220074182.db2.gz XRYUFSGHNMNYAS-NSHDSACASA-N 0 0 344.400 1.411 10 0 EDAERN CC(C)CNC(=O)c1cn([C@H]2CCCN(C(=O)C3CCC3)C2)nn1 ZINC000015004194 211786179 /nfs/dbraw/zinc/78/61/79/211786179.db2.gz KHBWIQFKOHWIIT-AWEZNQCLSA-N 0 0 333.436 1.628 10 0 EDAERN C[C@@H](Cc1cccs1)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111821519 220197615 /nfs/dbraw/zinc/19/76/15/220197615.db2.gz XMJOVHWCZHJPKS-KBPBESRZSA-N 0 0 334.445 1.986 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3ccn(C)n3)CC2)n1 ZINC000112126719 220247460 /nfs/dbraw/zinc/24/74/60/220247460.db2.gz CMLCTEHLLRFPMI-LLVKDONJSA-N 0 0 333.396 1.276 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H](C)CCOC)CC2)n1 ZINC000112136780 220251646 /nfs/dbraw/zinc/25/16/46/220251646.db2.gz XWMICSBPHCCLOX-STQMWFEESA-N 0 0 339.440 1.445 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(C(N)=S)cc2)CCS1 ZINC000137169360 223683634 /nfs/dbraw/zinc/68/36/34/223683634.db2.gz PSXPDPCRTZMAAY-SNVBAGLBSA-N 0 0 330.500 1.588 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cccnc2OCC(F)F)C[C@@H]1C ZINC000245806079 139086619 /nfs/dbraw/zinc/08/66/19/139086619.db2.gz BOLRGFHSAZEMOH-RYUDHWBXSA-N 0 0 343.374 1.253 10 0 EDAERN CC[C@H](NC(=O)N[C@H]1CCCn2nc(COC)nc21)[C@@H]1CCCO1 ZINC000245892337 139088797 /nfs/dbraw/zinc/08/87/97/139088797.db2.gz JSUUSUWIWQMMAB-AVGNSLFASA-N 0 0 337.424 1.516 10 0 EDAERN COC(=O)CCN1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000245944912 139090897 /nfs/dbraw/zinc/09/08/97/139090897.db2.gz BGPXRWJDYBXHIH-OCCSQVGLSA-N 0 0 337.420 1.928 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000246344907 139104776 /nfs/dbraw/zinc/10/47/76/139104776.db2.gz JOMKSSBXAWRKBH-FRRDWIJNSA-N 0 0 334.507 1.543 10 0 EDAERN C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2F)C[C@H]1N1CCOCC1 ZINC000246511874 139111405 /nfs/dbraw/zinc/11/14/05/139111405.db2.gz QQJPBSUDUCDINI-MLGOLLRUSA-N 0 0 339.386 1.556 10 0 EDAERN COCCOc1ccccc1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246582157 139113655 /nfs/dbraw/zinc/11/36/55/139113655.db2.gz AFYJDMANZDUCIV-GJZGRUSLSA-N 0 0 336.432 1.239 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCC(=O)NC1CC1 ZINC000173973706 284524139 /nfs/dbraw/zinc/52/41/39/284524139.db2.gz BHOMCZUGCZWAAE-AWEZNQCLSA-N 0 0 338.452 1.088 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C[C@@H]1C ZINC000246914639 139126786 /nfs/dbraw/zinc/12/67/86/139126786.db2.gz AZLPXESOEUYPQM-IRXDYDNUSA-N 0 0 345.487 1.612 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nn1 ZINC000247075939 139134574 /nfs/dbraw/zinc/13/45/74/139134574.db2.gz GSLYFYAVIWHGKZ-HZPDHXFCSA-N 0 0 345.491 1.802 10 0 EDAERN O=C(c1cc(-c2ccncc2)on1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767760 284605244 /nfs/dbraw/zinc/60/52/44/284605244.db2.gz CQBKXVUXDAEBLL-CQSZACIVSA-N 0 0 328.372 1.283 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H](C)OC[C@H]2CCCCO2)CCN1CCOC ZINC000247198109 139139977 /nfs/dbraw/zinc/13/99/77/139139977.db2.gz SWSYAIIZSYJOHN-BRWVUGGUSA-N 0 0 342.480 1.530 10 0 EDAERN C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247243980 139142151 /nfs/dbraw/zinc/14/21/51/139142151.db2.gz YGEKNYMIYPYSOJ-FUHWJXTLSA-N 0 0 331.460 1.440 10 0 EDAERN C[C@@H](CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H](C)O ZINC000247327299 139145158 /nfs/dbraw/zinc/14/51/58/139145158.db2.gz XLVQWHGAONRWSG-FRRDWIJNSA-N 0 0 342.461 1.857 10 0 EDAERN CC(=O)NCC(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012507380 211395435 /nfs/dbraw/zinc/39/54/35/211395435.db2.gz CLEZWKCCZFVEES-AWEZNQCLSA-N 0 0 330.363 1.641 10 0 EDAERN Cc1nc(CN(C)S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)no1 ZINC000248408864 139162526 /nfs/dbraw/zinc/16/25/26/139162526.db2.gz VYPBTKCEYLXIGS-NHYWBVRUSA-N 0 0 341.433 1.535 10 0 EDAERN COc1nccnc1N1CC[C@@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091690777 218047770 /nfs/dbraw/zinc/04/77/70/218047770.db2.gz ZXCKGWWJJHHQTH-GOSISDBHSA-N 0 0 346.431 1.483 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1CC ZINC000248790271 139175352 /nfs/dbraw/zinc/17/53/52/139175352.db2.gz XYABUBVBHKGXHU-HUUCEWRRSA-N 0 0 333.498 1.148 10 0 EDAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000248825325 139176633 /nfs/dbraw/zinc/17/66/33/139176633.db2.gz JXMKGPZQNVYOSM-ZFWWWQNUSA-N 0 0 345.447 1.489 10 0 EDAERN Cn1cnc(CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000092532961 218148003 /nfs/dbraw/zinc/14/80/03/218148003.db2.gz HQPLQGYUEWOJQG-UHFFFAOYSA-N 0 0 334.807 1.833 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2ccoc2Br)C[C@H]1C ZINC000248853497 139177644 /nfs/dbraw/zinc/17/76/44/139177644.db2.gz XSQVOAAPBJLJEQ-ZJUUUORDSA-N 0 0 331.210 1.569 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000093025623 218188057 /nfs/dbraw/zinc/18/80/57/218188057.db2.gz ASICBUAZLYKWMU-SNVBAGLBSA-N 0 0 334.376 1.019 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000249137248 139187134 /nfs/dbraw/zinc/18/71/34/139187134.db2.gz FBPSQULDWSQDKS-KOLCDFICSA-N 0 0 341.333 1.738 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249297392 139190776 /nfs/dbraw/zinc/19/07/76/139190776.db2.gz BWUPJTOZMFJZOF-ZQDZILKHSA-N 0 0 326.437 1.286 10 0 EDAERN COc1ccc(C(=O)NC(=S)NC[C@H](C)O)cc1Br ZINC000009270787 211061974 /nfs/dbraw/zinc/06/19/74/211061974.db2.gz OEZGTWJJAVUOJD-ZETCQYMHSA-N 0 0 347.234 1.443 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ncc(F)cn2)C1 ZINC000095083161 218275079 /nfs/dbraw/zinc/27/50/79/218275079.db2.gz AZJIXKBRKKFNFP-JTQLQIEISA-N 0 0 331.369 1.399 10 0 EDAERN Cc1cnn([C@H]2CCCN([C@H]3CCN(CC(F)(F)F)C3=O)C2)c1 ZINC000252443436 139204626 /nfs/dbraw/zinc/20/46/26/139204626.db2.gz SEGBKCXKUNBBFD-STQMWFEESA-N 0 0 330.354 1.992 10 0 EDAERN CCO[C@@H](C)c1noc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 ZINC000252463312 139204735 /nfs/dbraw/zinc/20/47/35/139204735.db2.gz WGUBLFUOUGXPIU-LSDHHAIUSA-N 0 0 349.435 1.881 10 0 EDAERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc(C(=O)N2CCCC2)n1 ZINC000252020682 139204090 /nfs/dbraw/zinc/20/40/90/139204090.db2.gz YRVSZRUEMGCBCY-APHBMKBZSA-N 0 0 329.400 1.615 10 0 EDAERN CCS(=O)(=O)N1CC[C@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC000096077965 218577341 /nfs/dbraw/zinc/57/73/41/218577341.db2.gz GAKNICMSEUHBJC-AWEZNQCLSA-N 0 0 328.459 1.835 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CC(F)(F)CN2)cc1N1C(=O)CCC1=O ZINC000263246686 139330752 /nfs/dbraw/zinc/33/07/52/139330752.db2.gz PJYRPTMLXYSRNW-LLVKDONJSA-N 0 0 337.326 1.584 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000171396663 533053252 /nfs/dbraw/zinc/05/32/52/533053252.db2.gz OUXADHZDNXNDGW-QWHCGFSZSA-N 0 0 327.340 1.493 10 0 EDAERN O=C([C@H]1CC(F)(F)CN1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000263317974 139335557 /nfs/dbraw/zinc/33/55/57/139335557.db2.gz ZUAKHYBDNUCVQP-CABCVRRESA-N 0 0 349.381 1.958 10 0 EDAERN CNc1nnc(CC(=O)N[C@H](CC(=O)OC)c2ccccc2)s1 ZINC000183484136 533099817 /nfs/dbraw/zinc/09/98/17/533099817.db2.gz JAWYLFGPNYDQIG-LLVKDONJSA-N 0 0 334.401 1.543 10 0 EDAERN CSc1nc(C(=O)N[C@@H]2CCc3ncnn3C2)c2ccccn21 ZINC000112646795 220362701 /nfs/dbraw/zinc/36/27/01/220362701.db2.gz BSJZXSMKKDHSIN-SNVBAGLBSA-N 0 0 328.401 1.393 10 0 EDAERN COC(=O)c1ccc(CCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112657023 220367393 /nfs/dbraw/zinc/36/73/93/220367393.db2.gz WKRCLCCWZJXJMP-AWEZNQCLSA-N 0 0 328.372 1.129 10 0 EDAERN CCOCc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112742895 220392311 /nfs/dbraw/zinc/39/23/11/220392311.db2.gz BGFAAWRIEDOXCM-OAHLLOKOSA-N 0 0 329.404 1.629 10 0 EDAERN CCOCc1ccccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112742902 220394478 /nfs/dbraw/zinc/39/44/78/220394478.db2.gz JKYIWGFKIXLQBO-OAHLLOKOSA-N 0 0 329.404 1.629 10 0 EDAERN C[C@@H](NC(=O)N1CCCC2(C1)OCCO2)c1nnc2n1CCCC2 ZINC000153360304 533117069 /nfs/dbraw/zinc/11/70/69/533117069.db2.gz UNIVCUNTJHBMNP-GFCCVEGCSA-N 0 0 335.408 1.224 10 0 EDAERN CCC1(CC)NC(=O)N(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1=O ZINC000113893693 220605687 /nfs/dbraw/zinc/60/56/87/220605687.db2.gz HOMFKNCKFACDDV-ZDUSSCGKSA-N 0 0 347.419 1.574 10 0 EDAERN COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171852622 533167390 /nfs/dbraw/zinc/16/73/90/533167390.db2.gz QSZLBINCKIIDFN-UKPHBRMFSA-N 0 0 346.427 1.864 10 0 EDAERN COc1n[nH]c(NC(=O)CCOc2ccc(Br)cc2)n1 ZINC000158911727 533184808 /nfs/dbraw/zinc/18/48/08/533184808.db2.gz IYAYRMUVBCKLJA-UHFFFAOYSA-N 0 0 341.165 1.983 10 0 EDAERN Cc1cc(C)nc(SCC(=O)N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000116230782 220943355 /nfs/dbraw/zinc/94/33/55/220943355.db2.gz WQGIWKRGCCSBLE-ZDUSSCGKSA-N 0 0 331.445 1.935 10 0 EDAERN COc1ccccc1C(=O)NCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116470071 220966567 /nfs/dbraw/zinc/96/65/67/220966567.db2.gz LMYCHMUYNASXBO-CYBMUJFWSA-N 0 0 342.399 1.175 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(OC)cc2OC)C[C@@H]1C ZINC000117281448 221041854 /nfs/dbraw/zinc/04/18/54/221041854.db2.gz VPHNTPFKANJPHM-AWEZNQCLSA-N 0 0 336.432 1.887 10 0 EDAERN CCOCCN1CCN(C(=O)CSCc2cccnc2)C[C@@H]1C ZINC000117275829 221041920 /nfs/dbraw/zinc/04/19/20/221041920.db2.gz HHHOQJMHUCVOKJ-HNNXBMFYSA-N 0 0 337.489 1.884 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)CCN1CCOC ZINC000117307276 221051207 /nfs/dbraw/zinc/05/12/07/221051207.db2.gz BBHRLMMUQPOSJC-OAHLLOKOSA-N 0 0 334.420 1.360 10 0 EDAERN CCC1CCC(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000117960381 221103522 /nfs/dbraw/zinc/10/35/22/221103522.db2.gz ZLRZVFPBYKLKSN-PIMMBPRGSA-N 0 0 333.436 1.793 10 0 EDAERN CCc1ccccc1N1C[C@@H](C(=O)NCCn2cc(C)cn2)CC1=O ZINC000117809798 221091537 /nfs/dbraw/zinc/09/15/37/221091537.db2.gz HYZJGFBOWAEGJP-INIZCTEOSA-N 0 0 340.427 1.923 10 0 EDAERN COc1cc(F)c(S(=O)(=O)NCCn2cc(C)cn2)cc1OC ZINC000117927104 221100165 /nfs/dbraw/zinc/10/01/65/221100165.db2.gz NVRJXUCBYCGOMN-UHFFFAOYSA-N 0 0 343.380 1.326 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)c1 ZINC000118134256 221127816 /nfs/dbraw/zinc/12/78/16/221127816.db2.gz WDQXNNYFWCLKLD-UHFFFAOYSA-N 0 0 348.378 1.873 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115169 221120506 /nfs/dbraw/zinc/12/05/06/221120506.db2.gz HXDGDJWTADZCPQ-GFCCVEGCSA-N 0 0 325.796 1.034 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000118760453 221177516 /nfs/dbraw/zinc/17/75/16/221177516.db2.gz VBTIQHHGIONMMR-SUMWQHHRSA-N 0 0 342.399 1.982 10 0 EDAERN Cc1nnc(CN2CCN(C(=O)Nc3cccc(C)c3)CC2)n1C ZINC000154594708 224277231 /nfs/dbraw/zinc/27/72/31/224277231.db2.gz QCDRXTNZJXJPKA-UHFFFAOYSA-N 0 0 328.420 1.782 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@]1(CCO)CCOC1)C(C)C ZINC000119067629 221236496 /nfs/dbraw/zinc/23/64/96/221236496.db2.gz OKNFNVJPHVHLCP-DOTOQJQBSA-N 0 0 328.453 1.079 10 0 EDAERN C[C@@H](CNC(=O)c1nc(Br)cs1)N1CCOCC1 ZINC000119217393 221268606 /nfs/dbraw/zinc/26/86/06/221268606.db2.gz PHGPYEDVXGCJKI-QMMMGPOBSA-N 0 0 334.239 1.356 10 0 EDAERN C[C@@H](CNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCOCC1 ZINC000119513991 221338305 /nfs/dbraw/zinc/33/83/05/221338305.db2.gz HUKBRSHJDLMMMH-AWEZNQCLSA-N 0 0 342.443 1.956 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(N(C)C)cc1 ZINC000155026918 224344374 /nfs/dbraw/zinc/34/43/74/224344374.db2.gz WNWSVFFZUWRQHX-CQSZACIVSA-N 0 0 329.404 1.755 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCSc1ccccn1 ZINC000155226936 224380237 /nfs/dbraw/zinc/38/02/37/224380237.db2.gz DQPUIJJKCWSOHR-LBPRGKRZSA-N 0 0 347.444 1.953 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(C)cc1 ZINC000155236168 224382191 /nfs/dbraw/zinc/38/21/91/224382191.db2.gz VJBVMHGVBNLTHV-CQSZACIVSA-N 0 0 330.388 1.763 10 0 EDAERN COCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)CCOC ZINC000155313597 224396207 /nfs/dbraw/zinc/39/62/07/224396207.db2.gz PVZJYZPTPMGUNQ-ZQDZILKHSA-N 0 0 328.453 1.485 10 0 EDAERN Cc1noc(C)c1CN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)C1CC1 ZINC000251988201 257660767 /nfs/dbraw/zinc/66/07/67/257660767.db2.gz IFPRZZLJPQPTBL-LSDHHAIUSA-N 0 0 325.434 1.432 10 0 EDAERN CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2S1(=O)=O ZINC000248156205 257662400 /nfs/dbraw/zinc/66/24/00/257662400.db2.gz VSDILNXDWMQWRP-JSGCOSHPSA-N 0 0 342.848 1.836 10 0 EDAERN CCc1nn(C)cc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(OC)nc1 ZINC000299741897 258009324 /nfs/dbraw/zinc/00/93/24/258009324.db2.gz HORIGYSBWMOUHQ-GOEBONIOSA-N 0 0 330.388 1.646 10 0 EDAERN COC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)c2c(=O)[nH][nH]c2C[C@]1(C)O ZINC000004171419 291956025 /nfs/dbraw/zinc/95/60/25/291956025.db2.gz RGSDRBMHTDALNV-QEORTHHSSA-N 0 0 332.356 1.352 10 0 EDAERN COc1ccc2c(c1)C(=O)C[C@@]1(CCN(C(=O)[C@@H]3CCCO3)C1)O2 ZINC000170508199 533240105 /nfs/dbraw/zinc/24/01/05/533240105.db2.gz LBRCJMJPAGWRJG-FUHWJXTLSA-N 0 0 331.368 1.811 10 0 EDAERN COCCn1ccc2ccc(NC(=O)NC[C@@H]3CN(C)CCO3)cc21 ZINC000179432839 533339902 /nfs/dbraw/zinc/33/99/02/533339902.db2.gz XWHYEXFLZBKTTN-MRXNPFEDSA-N 0 0 346.431 1.740 10 0 EDAERN COC(=O)CCCCCS(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000190680153 533368554 /nfs/dbraw/zinc/36/85/54/533368554.db2.gz KCHAJDZNMSOCCY-AWEZNQCLSA-N 0 0 343.449 1.620 10 0 EDAERN CS(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000172042885 533446000 /nfs/dbraw/zinc/44/60/00/533446000.db2.gz GPHYCZKJNUZDKX-ZDUSSCGKSA-N 0 0 349.416 1.967 10 0 EDAERN COc1cccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1OC ZINC000173848553 533403704 /nfs/dbraw/zinc/40/37/04/533403704.db2.gz BXKTUMQFSFKSPO-DZGCQCFKSA-N 0 0 334.416 1.497 10 0 EDAERN COC(=O)CNC(=O)CN1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000131509589 533520803 /nfs/dbraw/zinc/52/08/03/533520803.db2.gz BXCIQGMQKALIRM-GFCCVEGCSA-N 0 0 339.461 1.735 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cccc(F)c1C(N)=S)[C@H]1CCOC1 ZINC000166236166 533484197 /nfs/dbraw/zinc/48/41/97/533484197.db2.gz IJDPCBUORZPCCM-BDAKNGLRSA-N 0 0 332.422 1.163 10 0 EDAERN CCOC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000036078558 132390855 /nfs/dbraw/zinc/39/08/55/132390855.db2.gz GWQPZXJFCBJUFH-UHFFFAOYSA-N 0 0 345.399 1.247 10 0 EDAERN NC(=O)C1CCN(c2cccc(Br)c2C(N)=S)CC1 ZINC000168656483 135559267 /nfs/dbraw/zinc/55/92/67/135559267.db2.gz XGDNSFVKAKLUMF-UHFFFAOYSA-N 0 0 342.262 1.785 10 0 EDAERN C[C@@H](O)c1nccc(N2CCN(c3cnc4ccccc4n3)CC2)n1 ZINC000013472174 135701123 /nfs/dbraw/zinc/70/11/23/135701123.db2.gz XNPUHTXSHXGWLD-CYBMUJFWSA-N 0 0 336.399 1.800 10 0 EDAERN O=C(Cc1ccc2c(c1)OCCO2)N1CCN[C@H](c2cccnc2)C1 ZINC000328659199 140668091 /nfs/dbraw/zinc/66/80/91/140668091.db2.gz SGYALSLTLBOEMF-INIZCTEOSA-N 0 0 339.395 1.568 10 0 EDAERN Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCCCC(=O)N3)C[C@H]2CO)cn1 ZINC000328693439 140670768 /nfs/dbraw/zinc/67/07/68/140670768.db2.gz COHSQLBROMISFV-KKUMJFAQSA-N 0 0 334.420 1.244 10 0 EDAERN C[C@@H](c1nnc(-c2ccccc2)o1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329160612 140697891 /nfs/dbraw/zinc/69/78/91/140697891.db2.gz FGNOTFMGTKFACY-FPMFFAJLSA-N 0 0 333.413 1.917 10 0 EDAERN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1CCCCNC1=O ZINC000329819669 140767269 /nfs/dbraw/zinc/76/72/69/140767269.db2.gz GHJHUICFBMXQCS-CHWSQXEVSA-N 0 0 345.465 1.063 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@]2(CCOC2)O1 ZINC000330042670 140797436 /nfs/dbraw/zinc/79/74/36/140797436.db2.gz DUOYAVUQDKMNAH-PIGZYNQJSA-N 0 0 332.356 1.687 10 0 EDAERN Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c(=O)[nH]1 ZINC000333094545 141263000 /nfs/dbraw/zinc/26/30/00/141263000.db2.gz UDSQDSQGUCTJCE-KGLIPLIRSA-N 0 0 331.416 1.925 10 0 EDAERN Cc1cc(C)n(CC(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)c(=O)n1 ZINC000333278056 141291717 /nfs/dbraw/zinc/29/17/17/141291717.db2.gz OXVAWOVBMSNQTH-SFHVURJKSA-N 0 0 349.431 1.047 10 0 EDAERN O=C(CN1CCC[C@@H](c2nnc[nH]2)C1)Nc1nc2c(s1)CCCC2 ZINC000333298847 141295106 /nfs/dbraw/zinc/29/51/06/141295106.db2.gz MAXWEJUYPDGVLS-LLVKDONJSA-N 0 0 346.460 1.958 10 0 EDAERN O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(O)cc2)CC1 ZINC000333524631 141331619 /nfs/dbraw/zinc/33/16/19/141331619.db2.gz WVHSZWCYAQNFDU-ZDUSSCGKSA-N 0 0 338.429 1.558 10 0 EDAERN Cc1noc([C@H](C)N2CCN(c3cnc4c(n3)CCCC4)CC2)n1 ZINC000333561304 141337237 /nfs/dbraw/zinc/33/72/37/141337237.db2.gz QRSUHSSTFVLJTH-LBPRGKRZSA-N 0 0 328.420 1.930 10 0 EDAERN O=C([C@@H]1COCCN1CC(F)(F)F)N1CC[C@@H](O)CC12CCC2 ZINC000333622839 304371431 /nfs/dbraw/zinc/37/14/31/304371431.db2.gz UPRHUVPKVYIDDB-NEPJUHHUSA-N 0 0 336.354 1.156 10 0 EDAERN CC(=O)N[C@H](C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)C1CCCC1 ZINC000081450307 287312914 /nfs/dbraw/zinc/31/29/14/287312914.db2.gz YYEDPWIMJYIMEE-RISCZKNCSA-N 0 0 326.437 1.870 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)NC1CCCCC1 ZINC000091049785 287332023 /nfs/dbraw/zinc/33/20/23/287332023.db2.gz MDZNNJMRCJDZRV-LLVKDONJSA-N 0 0 342.465 1.359 10 0 EDAERN O[C@@H](Cc1cccc(F)c1Br)[C@H]1CN2CCN1CC2 ZINC000157258588 224796689 /nfs/dbraw/zinc/79/66/89/224796689.db2.gz QCNHROCGLVEBKU-OLZOCXBDSA-N 0 0 329.213 1.491 10 0 EDAERN C[S@](=O)CCNc1cnn(CC2CC2)c(=O)c1Br ZINC000158654110 225059648 /nfs/dbraw/zinc/05/96/48/225059648.db2.gz DLCDZCYECVQMHE-GOSISDBHSA-N 0 0 334.239 1.206 10 0 EDAERN Cn1cc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cn1 ZINC000159004859 225125155 /nfs/dbraw/zinc/12/51/55/225125155.db2.gz KQQQMCQETAEXQZ-ZBFHGGJFSA-N 0 0 330.363 1.395 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1-n1cccn1 ZINC000120468984 287361229 /nfs/dbraw/zinc/36/12/29/287361229.db2.gz HCVLYEPWXRHEGT-LSDHHAIUSA-N 0 0 343.431 1.563 10 0 EDAERN CCn1nccc1-c1nc(C)c(I)c(N)n1 ZINC000164947261 226104106 /nfs/dbraw/zinc/10/41/06/226104106.db2.gz IEYXLTHMCPRFQC-UHFFFAOYSA-N 0 0 329.145 1.855 10 0 EDAERN Cc1nn(C)c(Cn2cnc(Cl)c(N)c2=O)c1Br ZINC000164781765 226097411 /nfs/dbraw/zinc/09/74/11/226097411.db2.gz FNDYQRZRTYUBJA-UHFFFAOYSA-N 0 0 332.589 1.332 10 0 EDAERN CS(=O)(=O)CC[C@H](N)C(=O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000167119616 226180802 /nfs/dbraw/zinc/18/08/02/226180802.db2.gz LXZUYSMNKJVBFK-NEPJUHHUSA-N 0 0 335.491 1.010 10 0 EDAERN Cc1cc(S(=O)(=O)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)ccc1N ZINC000165748249 226135503 /nfs/dbraw/zinc/13/55/03/226135503.db2.gz ZMGQASXAUMJCMY-NWDGAFQWSA-N 0 0 331.459 1.707 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N2CCC(CO)CC2)c1Cl ZINC000165877353 226139911 /nfs/dbraw/zinc/13/99/11/226139911.db2.gz DYILBYZXFBHSRD-UHFFFAOYSA-N 0 0 339.244 1.969 10 0 EDAERN CCS(=O)(=O)[C@H]1CSCCN1C(=O)c1cc(N)cc(Cl)c1 ZINC000166097645 226147689 /nfs/dbraw/zinc/14/76/89/226147689.db2.gz CXYLUWXKNQHQJV-LBPRGKRZSA-N 0 0 348.877 1.872 10 0 EDAERN COc1ccc(-c2ncc(I)c(N)n2)cn1 ZINC000166873432 226172728 /nfs/dbraw/zinc/17/27/28/226172728.db2.gz DDMWEYTZVOQNMF-UHFFFAOYSA-N 0 0 328.113 1.734 10 0 EDAERN C[NH+](C)CCc1nc(C2CC2)c(I)c(=O)[n-]1 ZINC000167760268 226199146 /nfs/dbraw/zinc/19/91/46/226199146.db2.gz XXAYXUIMGLXBDS-UHFFFAOYSA-N 0 0 333.173 1.356 10 0 EDAERN Nc1cc(NC(=O)[C@@H]2CCCCS2(=O)=O)ccc1Br ZINC000167850961 226200041 /nfs/dbraw/zinc/20/00/41/226200041.db2.gz MUQSDVXHEHJKNY-NSHDSACASA-N 0 0 347.234 1.937 10 0 EDAERN C[C@H]([C@H](O)Cc1cc(Br)ccc1F)S(C)(=O)=O ZINC000168528530 226217049 /nfs/dbraw/zinc/21/70/49/226217049.db2.gz XKBANXANSFQODH-RDDDGLTNSA-N 0 0 325.199 1.925 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCN1C(=O)Cc2ccccc21 ZINC000170634265 226668897 /nfs/dbraw/zinc/66/88/97/226668897.db2.gz YHLFLVINTPJXHM-GFCCVEGCSA-N 0 0 341.367 1.103 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000126623350 287425146 /nfs/dbraw/zinc/42/51/46/287425146.db2.gz WEMBRVJOFCDWAC-LLVKDONJSA-N 0 0 341.209 1.977 10 0 EDAERN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000171349996 227032171 /nfs/dbraw/zinc/03/21/71/227032171.db2.gz BCCOYUAYRJURFV-OAHLLOKOSA-N 0 0 333.436 1.477 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)C(=O)Nc2ccc(C)cc2)n1 ZINC000121042765 221742384 /nfs/dbraw/zinc/74/23/84/221742384.db2.gz WQGZEXXVENPTBW-ZDUSSCGKSA-N 0 0 330.344 1.225 10 0 EDAERN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000122443825 222089513 /nfs/dbraw/zinc/08/95/13/222089513.db2.gz SPDSLCJKUQSIAL-UHFFFAOYSA-N 0 0 349.412 1.749 10 0 EDAERN Cn1c(=O)oc2c1cccc2C(=O)N1CCC(Cn2cccn2)CC1 ZINC000122805846 222162559 /nfs/dbraw/zinc/16/25/59/222162559.db2.gz YQJVKWGDOQMUTF-UHFFFAOYSA-N 0 0 340.383 1.880 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123122983 222220536 /nfs/dbraw/zinc/22/05/36/222220536.db2.gz ZOIKIRRWLXGJGP-HNAYVOBHSA-N 0 0 346.427 1.925 10 0 EDAERN C[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)[C@H]1CCCO1 ZINC000123141031 222222380 /nfs/dbraw/zinc/22/23/80/222222380.db2.gz XSEHUXKMJIBMMS-XHDPSFHLSA-N 0 0 331.347 1.669 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2CCCc3ccccc32)CC1=O ZINC000123450775 222279968 /nfs/dbraw/zinc/27/99/68/222279968.db2.gz UVEAOALJNDMHPK-MRXNPFEDSA-N 0 0 331.416 1.564 10 0 EDAERN O=C(NCc1ccco1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171817442 227298094 /nfs/dbraw/zinc/29/80/94/227298094.db2.gz MHQIAGQSKUNELL-QGZVFWFLSA-N 0 0 329.400 1.840 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(C)cc3)CCO2)c1 ZINC000171837125 227310402 /nfs/dbraw/zinc/31/04/02/227310402.db2.gz OAKINENCMMFVST-MRXNPFEDSA-N 0 0 342.399 1.366 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)C[C@@H]1C ZINC000174327128 533684984 /nfs/dbraw/zinc/68/49/84/533684984.db2.gz FEFAEIYBLUIBBW-VHSXEESVSA-N 0 0 334.247 1.859 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000193379045 272992015 /nfs/dbraw/zinc/99/20/15/272992015.db2.gz WOCUVFNVHNPGFT-CABCVRRESA-N 0 0 340.468 1.488 10 0 EDAERN CC[C@@H]1CCc2nc(NC(=O)C(=O)N3CCC[C@@H]3CO)sc2C1 ZINC000193323257 272990984 /nfs/dbraw/zinc/99/09/84/272990984.db2.gz GSCSZBRCKZXTAH-GHMZBOCLSA-N 0 0 337.445 1.580 10 0 EDAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1OC)C(C)C ZINC000178457426 267566194 /nfs/dbraw/zinc/56/61/94/267566194.db2.gz MKZFDMQQFUZZSA-IINYFYTJSA-N 0 0 325.384 1.965 10 0 EDAERN O=C(c1cc(Br)c[nH]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111085745 272924495 /nfs/dbraw/zinc/92/44/95/272924495.db2.gz BCJBIMJCMJMWOF-NSHDSACASA-N 0 0 339.193 1.515 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)CCO1 ZINC000181585173 272944302 /nfs/dbraw/zinc/94/43/02/272944302.db2.gz IZRWLNITSWQCOO-RNCFNFMXSA-N 0 0 343.786 1.697 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)/C=C\c3cncc(F)c3)CCO2)n1 ZINC000255376845 287838598 /nfs/dbraw/zinc/83/85/98/287838598.db2.gz XOKYWIOKHPMBAB-CWIOURORSA-N 0 0 344.390 1.975 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)C[C@H]1C ZINC000174952880 276319519 /nfs/dbraw/zinc/31/95/19/276319519.db2.gz KQVJGDJNENANCE-OAGGEKHMSA-N 0 0 340.464 1.535 10 0 EDAERN COC[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000179503306 277261822 /nfs/dbraw/zinc/26/18/22/277261822.db2.gz JAAKHHGGBGZYOR-YQQAZPJKSA-N 0 0 334.391 1.886 10 0 EDAERN COc1cc2c(c3oc(=O)c4c(c13)C[C@H](O)C4=O)[C@@H]1C=CO[C@@H]1O2 ZINC000095618467 277391143 /nfs/dbraw/zinc/39/11/43/277391143.db2.gz JUJRETIUKMEFIA-ZCIGJURXSA-N 0 0 328.276 1.247 10 0 endogenous,in-man EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc2nc(C)ccc2c1O ZINC000081811971 279135073 /nfs/dbraw/zinc/13/50/73/279135073.db2.gz RQCJXMIUBCGZNL-ZDUSSCGKSA-N 0 0 338.371 1.809 10 0 EDAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000333433973 288109338 /nfs/dbraw/zinc/10/93/38/288109338.db2.gz UYVLXWDIMCSGSC-OCCSQVGLSA-N 0 0 344.415 1.184 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(C[S@@](C)=O)c2)CC1 ZINC000106397295 288109820 /nfs/dbraw/zinc/10/98/20/288109820.db2.gz OZOOIVXVSYNSAI-HJPURHCSSA-N 0 0 338.473 1.094 10 0 EDAERN Cc1ccc(C(=O)N2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 ZINC000085436099 280768183 /nfs/dbraw/zinc/76/81/83/280768183.db2.gz RMDBQCUZSCSRJP-QGZVFWFLSA-N 0 0 343.427 1.736 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC(F)(F)CO)[C@@H]1c1ccccc1 ZINC000186078412 289802903 /nfs/dbraw/zinc/80/29/03/289802903.db2.gz ZPIUMXCYBUFFGL-JSGCOSHPSA-N 0 0 326.343 1.340 10 0 EDAERN CNC(=O)CCCN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000179184625 290378475 /nfs/dbraw/zinc/37/84/75/290378475.db2.gz OYIJYLYPWAUIOK-CRAIPNDOSA-N 0 0 345.443 1.581 10 0 EDAERN CNC(=O)Cc1nc(CN(C)[C@H](C)C(=O)OC(C)(C)C)cs1 ZINC000177660981 290464001 /nfs/dbraw/zinc/46/40/01/290464001.db2.gz YWHVGKPCCUNGOO-SNVBAGLBSA-N 0 0 327.450 1.594 10 0 EDAERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cnn2ccncc12 ZINC000329156755 293682641 /nfs/dbraw/zinc/68/26/41/293682641.db2.gz CAVLDVZAKXOYKK-UHOFOFEASA-N 0 0 330.388 1.385 10 0 EDAERN CO[C@@](C)([C@@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)C1CC1 ZINC000334135172 294082862 /nfs/dbraw/zinc/08/28/62/294082862.db2.gz XTJAMFBPACEDLB-SZXPJGKVSA-N 0 0 339.480 1.695 10 0 EDAERN CO[C@H](C)C(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191588923 294204862 /nfs/dbraw/zinc/20/48/62/294204862.db2.gz XEBGKYFMZIQBHL-ZIAGYGMSSA-N 0 0 328.453 1.676 10 0 EDAERN C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C[C@H]1N1CCOCC1 ZINC000247162177 300120968 /nfs/dbraw/zinc/12/09/68/300120968.db2.gz QMJSXUMIVHWEAT-PQAIKRCPSA-N 0 0 334.460 1.561 10 0 EDAERN C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)CCS(=O)(=O)C1 ZINC000191889972 300173036 /nfs/dbraw/zinc/17/30/36/300173036.db2.gz UBNMQOIKEOOWPJ-HOCLYGCPSA-N 0 0 338.473 1.052 10 0 EDAERN CC(C)CNC(=O)CCNc1ncc(I)cn1 ZINC000159157394 528031291 /nfs/dbraw/zinc/03/12/91/528031291.db2.gz BSSFHSZBUYRDPN-UHFFFAOYSA-N 0 0 348.188 1.655 10 0 EDAERN Cn1c(=O)cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c2ccccc21 ZINC000329377068 302892962 /nfs/dbraw/zinc/89/29/62/302892962.db2.gz MBLBOWJVMKPELT-SJORKVTESA-N 0 0 342.395 1.559 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCC1CCS(=O)(=O)CC1)C(C)C ZINC000162280238 302931261 /nfs/dbraw/zinc/93/12/61/302931261.db2.gz KMHPLMHUGNGCIN-OAHLLOKOSA-N 0 0 346.493 1.114 10 0 EDAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2CCC[C@@H](C3CC3)C2)CC(=O)N1C ZINC000329121435 303091927 /nfs/dbraw/zinc/09/19/27/303091927.db2.gz WCLHZWOUNQVEKA-JKIFEVAISA-N 0 0 330.432 1.588 10 0 EDAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000179374116 303351075 /nfs/dbraw/zinc/35/10/75/303351075.db2.gz GYCSOXXXZWFWTD-WCQYABFASA-N 0 0 327.388 1.623 10 0 EDAERN C[C@H]1CC[C@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000399228756 303858199 /nfs/dbraw/zinc/85/81/99/303858199.db2.gz BFTRPXFFVBROEK-ONGXEEELSA-N 0 0 334.235 1.983 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000044364155 440840617 /nfs/dbraw/zinc/84/06/17/440840617.db2.gz DQXNKRIXQQWXPH-INIZCTEOSA-N 0 0 340.489 1.866 10 0 EDAERN C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC[NH2+]1 ZINC000003789759 440906983 /nfs/dbraw/zinc/90/69/83/440906983.db2.gz DYRWTUITSIYILW-JTQLQIEISA-N 0 0 345.374 1.972 10 0 in-vitro EDAERN C[C@@H](C(=O)N1CCC2(CC1)OCCO2)N1Cc2ccccc2C1=O ZINC000006876042 441021061 /nfs/dbraw/zinc/02/10/61/441021061.db2.gz CESHUOKYBQXLBB-ZDUSSCGKSA-N 0 0 330.384 1.396 10 0 EDAERN CCCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)CCCN2 ZINC000045817780 441045051 /nfs/dbraw/zinc/04/50/51/441045051.db2.gz VRVXEDKJMKTDIE-UHFFFAOYSA-N 0 0 342.399 1.878 10 0 EDAERN CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000045904045 441057220 /nfs/dbraw/zinc/05/72/20/441057220.db2.gz TZQLKKDLDYEXAE-GFCCVEGCSA-N 0 0 332.400 1.894 10 0 EDAERN O=C([O-])c1cn(C2CC2)c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)c(F)cc2c1=O ZINC000013649275 441162994 /nfs/dbraw/zinc/16/29/94/441162994.db2.gz LHZDPJRHQVYKPA-ONGXEEELSA-N 0 0 343.358 1.724 10 0 in-vitro EDAERN COc1ccccc1CNC(=O)c1noc(C)c1CN1CCOCC1 ZINC000015736271 441208979 /nfs/dbraw/zinc/20/89/79/441208979.db2.gz PVSKJMLTYZQJJQ-UHFFFAOYSA-N 0 0 345.399 1.754 10 0 EDAERN CCOC(=O)c1ccc(NCCNc2cc(C)nc3ncnn32)nc1 ZINC000080972029 441214605 /nfs/dbraw/zinc/21/46/05/441214605.db2.gz CXHRFSBCAWLEHU-UHFFFAOYSA-N 0 0 341.375 1.528 10 0 EDAERN CC(=O)Nc1nc(CN2CCC(N(C)c3cccnn3)CC2)cs1 ZINC000105806035 441274533 /nfs/dbraw/zinc/27/45/33/441274533.db2.gz BOZXRLIMMRVNQN-UHFFFAOYSA-N 0 0 346.460 1.992 10 0 EDAERN Cc1nn(C)c(Cl)c1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810564 441276334 /nfs/dbraw/zinc/27/63/34/441276334.db2.gz JJOKOEGZZPJNPB-UHFFFAOYSA-N 0 0 334.811 1.524 10 0 EDAERN Cc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)NCCC(C)C)CC2)n1 ZINC000105864367 441295798 /nfs/dbraw/zinc/29/57/98/441295798.db2.gz QUSRVGRRHFNUCN-UONOGXRCSA-N 0 0 337.468 1.607 10 0 EDAERN COC(=O)c1cc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)oc1C ZINC000105863877 441293990 /nfs/dbraw/zinc/29/39/90/441293990.db2.gz DXAIXFHVGIXYCI-NSHDSACASA-N 0 0 348.403 1.945 10 0 EDAERN CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000081584440 441294012 /nfs/dbraw/zinc/29/40/12/441294012.db2.gz MMSRYADEOXXWDM-CQSZACIVSA-N 0 0 348.428 1.645 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC000106396751 441338298 /nfs/dbraw/zinc/33/82/98/441338298.db2.gz DWLHBVIFHOZRHW-DOTOQJQBSA-N 0 0 331.416 1.095 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3noc(C(C)C)n3)CC2)n1 ZINC000105868624 441299031 /nfs/dbraw/zinc/29/90/31/441299031.db2.gz QDKZEGVDRFICID-UHFFFAOYSA-N 0 0 332.408 1.704 10 0 EDAERN CCc1nnc(CN(C)C[C@H](c2cccs2)N2CCOCC2)n1C ZINC000105874650 441303017 /nfs/dbraw/zinc/30/30/17/441303017.db2.gz YZJOWZQWOQFJES-CQSZACIVSA-N 0 0 349.504 1.944 10 0 EDAERN C[C@@H](C(=O)NCc1ccccc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889987 441309263 /nfs/dbraw/zinc/30/92/63/441309263.db2.gz KMCOAORVKQAEJA-HOCLYGCPSA-N 0 0 346.406 1.428 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000081812843 441317588 /nfs/dbraw/zinc/31/75/88/441317588.db2.gz JZWMFCSLVICTTI-CQSZACIVSA-N 0 0 345.378 1.036 10 0 EDAERN Cc1cc([C@@](C)(O)CNC(=O)N[C@H]2CCCn3nc(C)nc32)c(C)o1 ZINC000083742525 441373956 /nfs/dbraw/zinc/37/39/56/441373956.db2.gz KVDKJOINIAYTRK-YOEHRIQHSA-N 0 0 347.419 1.838 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000083741224 441374113 /nfs/dbraw/zinc/37/41/13/441374113.db2.gz OJUGNGMMWUSIMR-GJZGRUSLSA-N 0 0 329.404 1.497 10 0 EDAERN CCN(C[C@H](O)COCc1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000084963676 441427779 /nfs/dbraw/zinc/42/77/79/441427779.db2.gz BCZGLKCJLGKSKW-HOCLYGCPSA-N 0 0 329.462 1.319 10 0 EDAERN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)NC(=O)c3ccco3)n2)cc1 ZINC000028789626 441437622 /nfs/dbraw/zinc/43/76/22/441437622.db2.gz WCCQDYRAKXLXDS-LLVKDONJSA-N 0 0 339.355 1.552 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nn1cnc2ccccc21 ZINC000029808760 441474589 /nfs/dbraw/zinc/47/45/89/441474589.db2.gz MNLUPKJZXOVKBX-AWEZNQCLSA-N 0 0 336.417 1.311 10 0 EDAERN O=C(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)NCC(F)(F)F ZINC000109088813 441487162 /nfs/dbraw/zinc/48/71/62/441487162.db2.gz ZBUGSZCSSWULEV-BDAKNGLRSA-N 0 0 336.260 1.863 10 0 EDAERN CNC(=O)c1ccc(CNC(=O)[C@H](C)NC(=O)c2ccco2)cc1 ZINC000030462971 441493959 /nfs/dbraw/zinc/49/39/59/441493959.db2.gz SXAVIILYORCOBN-NSHDSACASA-N 0 0 329.356 1.074 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000052606040 441464612 /nfs/dbraw/zinc/46/46/12/441464612.db2.gz QHCYKTYPEAOJAI-HNNXBMFYSA-N 0 0 342.436 1.988 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21 ZINC000075525421 441530648 /nfs/dbraw/zinc/53/06/48/441530648.db2.gz DAISUBYLAVRLID-OCCSQVGLSA-N 0 0 349.456 1.810 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@H](C)c3c(C)noc3C)CC2)no1 ZINC000109922602 441511156 /nfs/dbraw/zinc/51/11/56/441511156.db2.gz NDBHWHIMVBTLJR-LLVKDONJSA-N 0 0 347.419 1.821 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000109856953 441511463 /nfs/dbraw/zinc/51/14/63/441511463.db2.gz GPDPRGSKPPMJFY-GFCCVEGCSA-N 0 0 325.376 1.589 10 0 EDAERN Cc1nc2cccc(C(F)(F)F)c2c(=O)n1[C@H]1CCC(=O)NC1=O ZINC000113476728 441610436 /nfs/dbraw/zinc/61/04/36/441610436.db2.gz OVDGQHSOYHQOCH-JTQLQIEISA-N 0 0 339.273 1.701 10 0 EDAERN CCc1csc([C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1 ZINC000113205399 441587713 /nfs/dbraw/zinc/58/77/13/441587713.db2.gz NIWNBHGTEGKHPB-LLVKDONJSA-N 0 0 345.490 1.303 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CCCC2 ZINC000113298595 441599817 /nfs/dbraw/zinc/59/98/17/441599817.db2.gz YTHXPHCOXIPSDP-CQSZACIVSA-N 0 0 332.429 1.450 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1F ZINC000113298833 441599859 /nfs/dbraw/zinc/59/98/59/441599859.db2.gz IDAZIEZUFXSJEY-VIFPVBQESA-N 0 0 330.772 1.364 10 0 EDAERN C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(C(C)(C)C)cc1 ZINC000113376440 441604263 /nfs/dbraw/zinc/60/42/63/441604263.db2.gz RAMBVULUWBWDJJ-GFCCVEGCSA-N 0 0 346.431 1.896 10 0 EDAERN CCOC(=O)COc1ccc(C=C2SC(=O)NC2=O)cc1OC ZINC000113833078 441625950 /nfs/dbraw/zinc/62/59/50/441625950.db2.gz IUZYEHFVIBWYIN-KPKJPENVSA-N 0 0 337.353 1.961 10 0 EDAERN O=C(Cn1c(=O)cnc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113896913 441626343 /nfs/dbraw/zinc/62/63/43/441626343.db2.gz JLCRVOJNVSUCHT-OAHLLOKOSA-N 0 0 337.383 1.873 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)CC2 ZINC000114865354 441693145 /nfs/dbraw/zinc/69/31/45/441693145.db2.gz ZBFONDZFGIDJBA-WMLDXEAASA-N 0 0 327.432 1.574 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(OC)c1OC)CC2 ZINC000114869269 441693708 /nfs/dbraw/zinc/69/37/08/441693708.db2.gz HQICGPDFDRGLIU-NSHDSACASA-N 0 0 330.388 1.603 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1Cc3ccccc3C(=O)O1)CC2 ZINC000114870208 441693759 /nfs/dbraw/zinc/69/37/59/441693759.db2.gz UDRYNEVDUPUBQI-OCCSQVGLSA-N 0 0 340.383 1.053 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cccc(C(=O)OC)c1)CC2 ZINC000114875345 441694485 /nfs/dbraw/zinc/69/44/85/441694485.db2.gz QLDRHXHXHBMCBW-CYBMUJFWSA-N 0 0 343.387 1.764 10 0 EDAERN Cc1ccc(S(=O)(=O)CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000091537146 441710966 /nfs/dbraw/zinc/71/09/66/441710966.db2.gz BIKNOAWTZQLBPN-MRXNPFEDSA-N 0 0 338.473 1.711 10 0 EDAERN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000121662262 441753975 /nfs/dbraw/zinc/75/39/75/441753975.db2.gz ZPULOQCIBZCUTE-WBVHZDCISA-N 0 0 347.390 1.036 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)NC[C@@H]3CN(C)CCO3)C2)n1 ZINC000173492733 441767802 /nfs/dbraw/zinc/76/78/02/441767802.db2.gz FUTJOPMJVVCDNP-UONOGXRCSA-N 0 0 338.477 1.671 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000121509533 441720942 /nfs/dbraw/zinc/72/09/42/441720942.db2.gz JDKJFZKSADQGEL-KBPBESRZSA-N 0 0 345.365 1.790 10 0 EDAERN CNC(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000136859275 441729024 /nfs/dbraw/zinc/72/90/24/441729024.db2.gz ACJKJNZLSBRHFY-CQSZACIVSA-N 0 0 341.415 1.506 10 0 EDAERN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000139458115 441816892 /nfs/dbraw/zinc/81/68/92/441816892.db2.gz OYLKRPPQJNHTOT-TZMCWYRMSA-N 0 0 337.445 1.299 10 0 EDAERN COc1ccccc1CCC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173516982 441774439 /nfs/dbraw/zinc/77/44/39/441774439.db2.gz UCRPEIBMNZSXDZ-HNNXBMFYSA-N 0 0 330.388 1.654 10 0 EDAERN CCc1ccc([C@H](COC)NC(=O)NC[C@H]2CN(C)CCO2)o1 ZINC000173520383 441777015 /nfs/dbraw/zinc/77/70/15/441777015.db2.gz GQFAAMMUMDJRJK-KBPBESRZSA-N 0 0 325.409 1.159 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)c1 ZINC000173553752 441788772 /nfs/dbraw/zinc/78/87/72/441788772.db2.gz RJEZLDOQMKNZFC-KRWDZBQOSA-N 0 0 340.427 1.807 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCc3noc(C)n3)CC2)cn1 ZINC000173568614 441793606 /nfs/dbraw/zinc/79/36/06/441793606.db2.gz VQMSRXHBIFFFDH-UHFFFAOYSA-N 0 0 347.423 1.012 10 0 EDAERN CCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116120582 441795354 /nfs/dbraw/zinc/79/53/54/441795354.db2.gz VMGPTWYFKOUARB-AWEZNQCLSA-N 0 0 347.440 1.843 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)CCC(=O)c3cccs3)CCO2)[nH]1 ZINC000173579881 441797816 /nfs/dbraw/zinc/79/78/16/441797816.db2.gz BEFYKNPTMVUZIQ-GFCCVEGCSA-N 0 0 348.428 1.992 10 0 EDAERN CCOc1ncccc1C(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000173580008 441797952 /nfs/dbraw/zinc/79/79/52/441797952.db2.gz CSWFAFFBPMTUQU-GFCCVEGCSA-N 0 0 331.376 1.375 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)n1 ZINC000173587920 441799158 /nfs/dbraw/zinc/79/91/58/441799158.db2.gz VEXNKFWOGYMRGS-GJZGRUSLSA-N 0 0 336.505 1.793 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116317302 441810546 /nfs/dbraw/zinc/81/05/46/441810546.db2.gz XVJVDYYILAVNPP-INIZCTEOSA-N 0 0 342.443 1.925 10 0 EDAERN CN(C(=O)CCCCc1c[nH]nn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000139367001 441813858 /nfs/dbraw/zinc/81/38/58/441813858.db2.gz YJUPOVBZHNNDOY-OAHLLOKOSA-N 0 0 343.435 1.435 10 0 EDAERN O=C(NCCc1cn2ccccc2n1)N1CCC[C@H](n2cncn2)C1 ZINC000173648961 441814820 /nfs/dbraw/zinc/81/48/20/441814820.db2.gz LDIJVAOSUNMSBS-HNNXBMFYSA-N 0 0 339.403 1.515 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173936326 441864573 /nfs/dbraw/zinc/86/45/73/441864573.db2.gz VYNZMSNPHXLJOP-KSZLIROESA-N 0 0 345.487 1.967 10 0 EDAERN Cc1nnnn1-c1cccc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077677723 441827209 /nfs/dbraw/zinc/82/72/09/441827209.db2.gz OFEDFFZVVZYHSH-WFASDCNBSA-N 0 0 330.392 1.643 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000116520853 441827983 /nfs/dbraw/zinc/82/79/83/441827983.db2.gz LLLNVVYXDCOXQF-HNNXBMFYSA-N 0 0 330.436 1.823 10 0 EDAERN CCO[C@@H]1C[C@H](O)C12CCN(c1cncc(-n3ccnc3C)n1)CC2 ZINC000092915679 441839055 /nfs/dbraw/zinc/83/90/55/441839055.db2.gz UEOLHWINXIVJIB-LSDHHAIUSA-N 0 0 343.431 1.727 10 0 EDAERN CCO[C@H]1C[C@@H](O)C12CCN(c1cncc(-n3ccnc3C)n1)CC2 ZINC000092915686 441839503 /nfs/dbraw/zinc/83/95/03/441839503.db2.gz UEOLHWINXIVJIB-CABCVRRESA-N 0 0 343.431 1.727 10 0 EDAERN Cc1cc(NC(=O)NC[C@H](C)N2CCOCC2)ccc1C(=O)N(C)C ZINC000077726767 441839864 /nfs/dbraw/zinc/83/98/64/441839864.db2.gz XNAJRICFBGIHTP-AWEZNQCLSA-N 0 0 348.447 1.539 10 0 EDAERN C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173790250 441840302 /nfs/dbraw/zinc/84/03/02/441840302.db2.gz VBTXPNZGZSNBFN-GDBMZVCRSA-N 0 0 335.423 1.873 10 0 EDAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000174219425 441904197 /nfs/dbraw/zinc/90/41/97/441904197.db2.gz CXZCQGCMRMIVFP-UONOGXRCSA-N 0 0 334.420 1.677 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CCN(CCOC)[C@H](C)C1)C(C)C ZINC000174318355 441912142 /nfs/dbraw/zinc/91/21/42/441912142.db2.gz VAITZSTUYATWJP-CVEARBPZSA-N 0 0 329.485 1.800 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3c(C)noc3C)CC2)no1 ZINC000174343818 441915476 /nfs/dbraw/zinc/91/54/76/441915476.db2.gz KTHPNFXFSWLYHO-UHFFFAOYSA-N 0 0 348.407 1.400 10 0 EDAERN O=C(CSCc1cscn1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000123132105 441876787 /nfs/dbraw/zinc/87/67/87/441876787.db2.gz MBHPOCZUCZJGIX-LBPRGKRZSA-N 0 0 349.485 1.952 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000124520060 441933947 /nfs/dbraw/zinc/93/39/47/441933947.db2.gz YZKHACKTAMQXDR-OAHLLOKOSA-N 0 0 348.447 1.995 10 0 EDAERN CCc1ccccc1OCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000174597122 441941277 /nfs/dbraw/zinc/94/12/77/441941277.db2.gz QYWRCHAKHVAOMK-WBVHZDCISA-N 0 0 334.460 1.931 10 0 EDAERN NC(=O)[C@@H](CCC(F)(F)F)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000095938302 441953606 /nfs/dbraw/zinc/95/36/06/441953606.db2.gz AMDXQCHTJWVNGY-SECBINFHSA-N 0 0 344.742 1.815 10 0 EDAERN CC(C)NC(=O)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000174702284 441956223 /nfs/dbraw/zinc/95/62/23/441956223.db2.gz IBYIDAYBUVIGHB-CYBMUJFWSA-N 0 0 329.404 1.757 10 0 EDAERN CCCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991813 441991513 /nfs/dbraw/zinc/99/15/13/441991513.db2.gz IQRIZILNXWXBAV-ZIAGYGMSSA-N 0 0 336.436 1.545 10 0 EDAERN C[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000174986547 441991966 /nfs/dbraw/zinc/99/19/66/441991966.db2.gz UEUVGQUXNUBDNM-GWCFXTLKSA-N 0 0 335.795 1.677 10 0 EDAERN Cc1cnn(CCNC(=O)NCCc2csc(N3CCCC3)n2)c1 ZINC000175038926 441998500 /nfs/dbraw/zinc/99/85/00/441998500.db2.gz QNJYXYBNFQMSMW-UHFFFAOYSA-N 0 0 348.476 1.790 10 0 EDAERN Cc1nn(C)c(=O)c(C(=O)N[C@H](C)COCc2ccccc2)c1C ZINC000175288375 442032975 /nfs/dbraw/zinc/03/29/75/442032975.db2.gz IPBZFUQLUYQAHI-GFCCVEGCSA-N 0 0 329.400 1.732 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCCc3ccccc3)CCO2)[nH]1 ZINC000175292541 442034356 /nfs/dbraw/zinc/03/43/56/442034356.db2.gz DEIKFQQOJGCFTF-HNNXBMFYSA-N 0 0 329.404 1.829 10 0 EDAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126256739 442093970 /nfs/dbraw/zinc/09/39/70/442093970.db2.gz XZLUANRTSREABD-INIZCTEOSA-N 0 0 332.448 1.913 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000162026408 442057176 /nfs/dbraw/zinc/05/71/76/442057176.db2.gz YEDNRJDTFTWUDW-OLZOCXBDSA-N 0 0 333.436 1.091 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCNc1ccccn1 ZINC000120374538 442058054 /nfs/dbraw/zinc/05/80/54/442058054.db2.gz LOYRWWKHKSODQJ-ZDUSSCGKSA-N 0 0 343.435 1.872 10 0 EDAERN CCCC1(CNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000120471220 442079378 /nfs/dbraw/zinc/07/93/78/442079378.db2.gz YXTIFLJRWAGUQS-GFCCVEGCSA-N 0 0 349.456 1.810 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)C1 ZINC000151705530 442109549 /nfs/dbraw/zinc/10/95/49/442109549.db2.gz ODPUUMURECMYFW-HUUCEWRRSA-N 0 0 347.463 1.894 10 0 EDAERN C[C@@H]1CN(C(=O)NCc2nccn2C(F)F)C[C@H]1N1CCOCC1 ZINC000175745171 442115432 /nfs/dbraw/zinc/11/54/32/442115432.db2.gz KFRBIMQKOVXOOF-VXGBXAGGSA-N 0 0 343.378 1.140 10 0 EDAERN CCCC[C@H](COC)NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175796049 442124905 /nfs/dbraw/zinc/12/49/05/442124905.db2.gz SPRYKIUPAPRWHK-ARFHVFGLSA-N 0 0 327.469 1.554 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1ccc(C)cc1 ZINC000175861973 442136682 /nfs/dbraw/zinc/13/66/82/442136682.db2.gz ZDXJMINJKQJLSX-GJZGRUSLSA-N 0 0 329.404 1.763 10 0 EDAERN Cc1cccc(CN2CCN(C(=O)CN3[C@@H](C)COC[C@@H]3C)CC2)c1 ZINC000120835338 442140178 /nfs/dbraw/zinc/14/01/78/442140178.db2.gz NNEQMDASRRMITE-ROUUACIJSA-N 0 0 345.487 1.748 10 0 EDAERN COC(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000175923222 442146700 /nfs/dbraw/zinc/14/67/00/442146700.db2.gz TZOMZFICPBUMIN-LLVKDONJSA-N 0 0 333.323 1.860 10 0 EDAERN C[C@@H](CNC(=O)Nc1cncc(Br)c1)N1CCOCC1 ZINC000126825857 442147197 /nfs/dbraw/zinc/14/71/97/442147197.db2.gz XCGKTBDZFJKSSZ-JTQLQIEISA-N 0 0 343.225 1.686 10 0 EDAERN C[C@H]1CN(C(=O)NCCc2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000175638505 442098493 /nfs/dbraw/zinc/09/84/93/442098493.db2.gz SWFCKARDFLOYPD-WMLDXEAASA-N 0 0 335.423 1.730 10 0 EDAERN CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176104050 442177396 /nfs/dbraw/zinc/17/73/96/442177396.db2.gz KYXIRXORWHXRHV-LBPRGKRZSA-N 0 0 329.360 1.267 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1n[nH]c2c1CCCC2 ZINC000127178309 442178366 /nfs/dbraw/zinc/17/83/66/442178366.db2.gz KLWCJQFUKMVLQE-LBPRGKRZSA-N 0 0 330.392 1.291 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000176115602 442178781 /nfs/dbraw/zinc/17/87/81/442178781.db2.gz IAUNRUAWBWJPOY-UHFFFAOYSA-N 0 0 342.399 1.684 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000121275067 442198589 /nfs/dbraw/zinc/19/85/89/442198589.db2.gz XSQCZNMWXFKTJG-ZDUSSCGKSA-N 0 0 337.807 1.714 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000175943891 442151336 /nfs/dbraw/zinc/15/13/36/442151336.db2.gz TWOSAXPJKJBVNW-CYBMUJFWSA-N 0 0 343.387 1.743 10 0 EDAERN CC[C@@H](COC)NC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000163282949 442155491 /nfs/dbraw/zinc/15/54/91/442155491.db2.gz VHLHIRHEBBQBFY-IRXDYDNUSA-N 0 0 335.448 1.472 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000127008232 442161668 /nfs/dbraw/zinc/16/16/68/442161668.db2.gz KXWNGFXVBLLCEF-MNOVXSKESA-N 0 0 329.393 1.620 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)C(=O)c2ccc(Cl)cc2)n1 ZINC000120999550 442163444 /nfs/dbraw/zinc/16/34/44/442163444.db2.gz LAMQQIRBEKJZQN-LBPRGKRZSA-N 0 0 335.747 1.814 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CO)ccc1Br ZINC000121007088 442164361 /nfs/dbraw/zinc/16/43/61/442164361.db2.gz UIJWDEAZSPLTFC-NSHDSACASA-N 0 0 341.205 1.679 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cccc(N(C)C)n2)C[C@H]1C ZINC000152895715 442250197 /nfs/dbraw/zinc/25/01/97/442250197.db2.gz FLRNJCYCFIYSAB-CQSZACIVSA-N 0 0 335.452 1.722 10 0 EDAERN Cn1c(CN2C(=O)Nc3ccccc3S2(=O)=O)nnc1C1CC1 ZINC000176740105 442251902 /nfs/dbraw/zinc/25/19/02/442251902.db2.gz UETMJOAIDADDKT-UHFFFAOYSA-N 0 0 333.373 1.429 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)ccc2o1 ZINC000176744680 442252552 /nfs/dbraw/zinc/25/25/52/442252552.db2.gz AMSISPRAEGEPKJ-GFCCVEGCSA-N 0 0 346.368 1.198 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCc2csc(C(C)(C)C)n2)C1 ZINC000127474730 442205668 /nfs/dbraw/zinc/20/56/68/442205668.db2.gz ZMWOUWWHDFLXHC-CYBMUJFWSA-N 0 0 340.493 1.613 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)Cc1cc(C)n[nH]1)CC2 ZINC000152447185 442214053 /nfs/dbraw/zinc/21/40/53/442214053.db2.gz VSKVQBDEQGIODM-ZYHUDNBSSA-N 0 0 331.424 1.117 10 0 EDAERN COCCN1CCN(C(=O)c2c(C)onc2-c2ccccn2)C[C@H]1C ZINC000152475716 442218024 /nfs/dbraw/zinc/21/80/24/442218024.db2.gz YELSASDKMAQBLE-CYBMUJFWSA-N 0 0 344.415 1.838 10 0 EDAERN O=C(NCCCN1CCCCCC1=O)NC[C@@H]1CCCC[C@@H]1O ZINC000152984318 442255193 /nfs/dbraw/zinc/25/51/93/442255193.db2.gz ZBMVIABTHZRPBV-GJZGRUSLSA-N 0 0 325.453 1.629 10 0 EDAERN COc1cc(CNC(=O)NC[C@@H]2CN(C)CCO2)c2ccccc2n1 ZINC000176433440 442221361 /nfs/dbraw/zinc/22/13/61/442221361.db2.gz XHEWMCBUROMARA-CQSZACIVSA-N 0 0 344.415 1.373 10 0 EDAERN COCCN1CCN(C(=O)c2cccnc2OCC(F)F)C[C@@H]1C ZINC000128005285 442239467 /nfs/dbraw/zinc/23/94/67/442239467.db2.gz HSUYJGZCDDDNDB-LBPRGKRZSA-N 0 0 343.374 1.518 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)CSCc2cscn2)n1 ZINC000152763204 442242425 /nfs/dbraw/zinc/24/24/25/442242425.db2.gz RWVHPGVYAXWOBR-LLVKDONJSA-N 0 0 340.430 1.668 10 0 EDAERN CCOC(=O)C1(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CCC1 ZINC000152761614 442242546 /nfs/dbraw/zinc/24/25/46/442242546.db2.gz UDKFPLGKFFHCSZ-CQSZACIVSA-N 0 0 346.431 1.637 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)C3(O)CCCCC3)CC2)n1 ZINC000128144344 442248278 /nfs/dbraw/zinc/24/82/78/442248278.db2.gz YQVSSNMIRXMWOT-UHFFFAOYSA-N 0 0 334.420 1.219 10 0 EDAERN C[C@H](NC(=O)NC[C@H](O)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000153224277 442268775 /nfs/dbraw/zinc/26/87/75/442268775.db2.gz COKXVDFEZYOMPF-DZGCQCFKSA-N 0 0 343.431 1.578 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000176980677 442280529 /nfs/dbraw/zinc/28/05/29/442280529.db2.gz MEUNIWMVARDOMG-HNNXBMFYSA-N 0 0 339.461 1.031 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccccc3N(C)C)CCO2)[nH]1 ZINC000176995249 442282357 /nfs/dbraw/zinc/28/23/57/442282357.db2.gz KKGBSTIFNKNCHJ-CQSZACIVSA-N 0 0 330.392 1.785 10 0 EDAERN CCNC(=O)CCCC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000170900508 442285325 /nfs/dbraw/zinc/28/53/25/442285325.db2.gz KDPGAXRUYAWIPV-ZDUSSCGKSA-N 0 0 338.429 1.328 10 0 EDAERN C[C@@H]1CN(CC(=O)Nc2cc(F)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177275044 442323751 /nfs/dbraw/zinc/32/37/51/442323751.db2.gz HJRHZXZPXDMMJB-WBMJQRKESA-N 0 0 339.386 1.556 10 0 EDAERN CCc1nc(CN2CCN(C[C@](C)(O)c3ccccc3)CC2)no1 ZINC000177305110 442326484 /nfs/dbraw/zinc/32/64/84/442326484.db2.gz GSNQSBVVQRAIFE-SFHVURJKSA-N 0 0 330.432 1.657 10 0 EDAERN CCCOc1ncccc1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177311876 442327590 /nfs/dbraw/zinc/32/75/90/442327590.db2.gz SIXIFBDVRBVMDN-CYBMUJFWSA-N 0 0 330.392 1.796 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)N1CCC(Cn2cccn2)CC1 ZINC000177340844 442330054 /nfs/dbraw/zinc/33/00/54/442330054.db2.gz WXGVPKZJMVAJAV-AWEZNQCLSA-N 0 0 329.408 1.431 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CCCn2ncnc21)C(=O)Nc1ccccc1 ZINC000177370765 442333353 /nfs/dbraw/zinc/33/33/53/442333353.db2.gz OIRKSXBEEWLBEN-YPMHNXCESA-N 0 0 328.376 1.439 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000171281043 442337828 /nfs/dbraw/zinc/33/78/28/442337828.db2.gz ZVYYXDSJVCNFNT-LBPRGKRZSA-N 0 0 346.412 1.362 10 0 EDAERN CN(C)c1nc2sc(C(=O)NC[C@H]3CN(C)CCO3)cc2s1 ZINC000171286488 442338510 /nfs/dbraw/zinc/33/85/10/442338510.db2.gz AFBAVOYCCROYMY-VIFPVBQESA-N 0 0 340.474 1.484 10 0 EDAERN COc1ccc(-n2nnnc2SCc2nnc(C3CC3)n2C)cc1 ZINC000130487033 442348017 /nfs/dbraw/zinc/34/80/17/442348017.db2.gz BFBLDXZEDDESHF-UHFFFAOYSA-N 0 0 343.416 1.969 10 0 EDAERN CN(C)c1ncccc1CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171458051 442350459 /nfs/dbraw/zinc/35/04/59/442350459.db2.gz RSFMPVDBPBQVDJ-HNNXBMFYSA-N 0 0 328.420 1.928 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171475916 442351740 /nfs/dbraw/zinc/35/17/40/442351740.db2.gz XAVXJHIGMJEXNS-CYBMUJFWSA-N 0 0 335.452 1.527 10 0 EDAERN CC(=O)Nc1nc(C(=O)N2CCC[C@H]2Cn2ccnc2C)cs1 ZINC000177153897 442306528 /nfs/dbraw/zinc/30/65/28/442306528.db2.gz GSDNNHGSVFUHKY-LBPRGKRZSA-N 0 0 333.417 1.911 10 0 EDAERN O=C(Nc1ccccc1OC(F)F)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130668157 442353370 /nfs/dbraw/zinc/35/33/70/442353370.db2.gz IFJJEQFMUCVRNI-WDEREUQCSA-N 0 0 342.342 1.894 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000177191740 442312309 /nfs/dbraw/zinc/31/23/09/442312309.db2.gz QTBGFZUBMXJYNL-CYBMUJFWSA-N 0 0 338.502 1.752 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000177205016 442313163 /nfs/dbraw/zinc/31/31/63/442313163.db2.gz JSLIKFOLNSXMLL-AWEZNQCLSA-N 0 0 340.383 1.827 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000177241406 442318589 /nfs/dbraw/zinc/31/85/89/442318589.db2.gz KZKAZVJMWRNMEM-OAHLLOKOSA-N 0 0 338.473 1.100 10 0 EDAERN CCCCc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000177625233 442364169 /nfs/dbraw/zinc/36/41/69/442364169.db2.gz GHCZDDBKJHDDHC-HNNXBMFYSA-N 0 0 341.415 1.690 10 0 EDAERN O=C(Nc1ccc(Cl)cc1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177625100 442364254 /nfs/dbraw/zinc/36/42/54/442364254.db2.gz JJCNZYWBLBONPD-SECBINFHSA-N 0 0 337.742 1.140 10 0 EDAERN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177635997 442365613 /nfs/dbraw/zinc/36/56/13/442365613.db2.gz CLIABVHNMHCCNK-VIFPVBQESA-N 0 0 337.742 1.140 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NC3CCSCC3)CCO2)[nH]1 ZINC000178047638 442403851 /nfs/dbraw/zinc/40/38/51/442403851.db2.gz WUBQUYAZYKNNLY-LLVKDONJSA-N 0 0 325.438 1.346 10 0 EDAERN O=C(Cc1nc2ncccn2n1)N1CCCC[C@H]1c1nccs1 ZINC000171654191 442367035 /nfs/dbraw/zinc/36/70/35/442367035.db2.gz WJDAXGXBIAMNRI-NSHDSACASA-N 0 0 328.401 1.877 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1C ZINC000177650997 442367244 /nfs/dbraw/zinc/36/72/44/442367244.db2.gz MTIMHWNMPFYAOG-HNNXBMFYSA-N 0 0 342.399 1.366 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000177708845 442373162 /nfs/dbraw/zinc/37/31/62/442373162.db2.gz IHZSFPOEGVWRCG-MRXNPFEDSA-N 0 0 336.399 1.966 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)CSCc2ccccn2)n1 ZINC000155516645 442404122 /nfs/dbraw/zinc/40/41/22/442404122.db2.gz YZCKWOZWTDEUMS-CYBMUJFWSA-N 0 0 334.401 1.606 10 0 EDAERN CC(C)C[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177901229 442394254 /nfs/dbraw/zinc/39/42/54/442394254.db2.gz KNIOLRQHKPZJNK-JSGCOSHPSA-N 0 0 342.461 1.857 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccnc(OC3CCC3)c2)n1 ZINC000155447551 442399428 /nfs/dbraw/zinc/39/94/28/442399428.db2.gz NHZWCGDDMGFVLN-AWEZNQCLSA-N 0 0 344.371 1.918 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(=O)[nH]c3ccccc32)n1 ZINC000155483694 442401852 /nfs/dbraw/zinc/40/18/52/442401852.db2.gz QDGYRSJMNRCOPI-AWEZNQCLSA-N 0 0 340.339 1.846 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000130776724 442356278 /nfs/dbraw/zinc/35/62/78/442356278.db2.gz QYRGVTLORXRVSU-UHFFFAOYSA-N 0 0 331.376 1.613 10 0 EDAERN Cc1ccccc1[C@@H](CC(=O)N[C@@H]1CCCn2ncnc21)NC(N)=O ZINC000177565227 442357571 /nfs/dbraw/zinc/35/75/71/442357571.db2.gz UPWOIWSHZNFKKQ-ZIAGYGMSSA-N 0 0 342.403 1.337 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177577245 442359165 /nfs/dbraw/zinc/35/91/65/442359165.db2.gz HKAMEGDVTMSKOP-DZGCQCFKSA-N 0 0 331.416 1.654 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)cc1 ZINC000177614023 442363021 /nfs/dbraw/zinc/36/30/21/442363021.db2.gz TWTBHXDOWLWZFK-PBHICJAKSA-N 0 0 347.459 1.491 10 0 EDAERN O=C(CN1CCC[C@H](n2cncn2)C1)NCC1(c2ccccc2)CC1 ZINC000171618222 442363099 /nfs/dbraw/zinc/36/30/99/442363099.db2.gz VHXXUNAVLGRFBJ-KRWDZBQOSA-N 0 0 339.443 1.763 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)CS(C)(=O)=O ZINC000172076471 442407218 /nfs/dbraw/zinc/40/72/18/442407218.db2.gz POLKREWYRNPIBR-MFKMUULPSA-N 0 0 342.465 1.317 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)COc2ccc(C)c(C)c2)n1 ZINC000155558403 442407960 /nfs/dbraw/zinc/40/79/60/442407960.db2.gz FXUALXZJHVMJFV-OAHLLOKOSA-N 0 0 331.372 1.974 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000155589853 442411157 /nfs/dbraw/zinc/41/11/57/442411157.db2.gz KXQZLJJTHRBEGM-IUODEOHRSA-N 0 0 339.461 1.864 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C ZINC000172221742 442425279 /nfs/dbraw/zinc/42/52/79/442425279.db2.gz XJMPKLBXUICLSS-GFCCVEGCSA-N 0 0 332.404 1.039 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cccc(Cn2cccn2)c1)C(C)C ZINC000178406605 442430570 /nfs/dbraw/zinc/43/05/70/442430570.db2.gz GUSDVHJHCSGUGS-MRXNPFEDSA-N 0 0 343.431 1.501 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cccc(C)c1)CC2 ZINC000172262213 442432100 /nfs/dbraw/zinc/43/21/00/442432100.db2.gz XQXRTJMQFASBLD-AWEZNQCLSA-N 0 0 334.445 1.583 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)Cc2cccc(C)c2)CCN1CCOC ZINC000172264277 442432820 /nfs/dbraw/zinc/43/28/20/442432820.db2.gz IVXLQFLFMOHRAL-KRWDZBQOSA-N 0 0 340.489 1.867 10 0 EDAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CCO1 ZINC000172266196 442433119 /nfs/dbraw/zinc/43/31/19/442433119.db2.gz GBPVEHDXVMQXCT-ZWNOBZJWSA-N 0 0 341.358 1.572 10 0 EDAERN COc1cc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)ccn1 ZINC000155868826 442433272 /nfs/dbraw/zinc/43/32/72/442433272.db2.gz WIQZGNKQDXSHDZ-CYBMUJFWSA-N 0 0 344.419 1.619 10 0 EDAERN CC(=O)N/C(=C\c1ccccc1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172259018 442431702 /nfs/dbraw/zinc/43/17/02/442431702.db2.gz WIUUTFSFHIWIEM-LTKMBJGESA-N 0 0 338.411 1.913 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cn(Cc2cccc(F)c2)nn1 ZINC000133845924 442436488 /nfs/dbraw/zinc/43/64/88/442436488.db2.gz FLSWTELWELLENT-CYBMUJFWSA-N 0 0 341.350 1.322 10 0 EDAERN CCc1cccc(NC(=O)CNC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000133908229 442439363 /nfs/dbraw/zinc/43/93/63/442439363.db2.gz ZEWXHSXTRGXGHP-CQSZACIVSA-N 0 0 348.447 1.207 10 0 EDAERN CC(C)[C@H](O)CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000155977145 442440497 /nfs/dbraw/zinc/44/04/97/442440497.db2.gz BIYNEKHROCVDTD-MRXNPFEDSA-N 0 0 334.416 1.433 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000178563084 442444019 /nfs/dbraw/zinc/44/40/19/442444019.db2.gz QKULFNWHMMUSHV-CYBMUJFWSA-N 0 0 333.498 1.087 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2cccc(OCC(F)F)n2)C1 ZINC000134111925 442451306 /nfs/dbraw/zinc/45/13/06/442451306.db2.gz XVLQLURLINSYGS-JTQLQIEISA-N 0 0 330.335 1.178 10 0 EDAERN O=C(CN1CCCCCCC1=O)N1CCC(Cn2cccn2)CC1 ZINC000172395263 442454093 /nfs/dbraw/zinc/45/40/93/442454093.db2.gz AVYGDTXTLVPVLK-UHFFFAOYSA-N 0 0 332.448 1.914 10 0 EDAERN Cn1nccc1C1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000172581824 442495999 /nfs/dbraw/zinc/49/59/99/442495999.db2.gz FSHMEQDXXKNGOZ-UHFFFAOYSA-N 0 0 349.479 1.420 10 0 EDAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000134679896 442510412 /nfs/dbraw/zinc/51/04/12/442510412.db2.gz XAFQGJCDUDMOIS-ACJLOTCBSA-N 0 0 347.415 1.953 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCCCCNC(C)=O)CCO2)cn1 ZINC000191758259 442505795 /nfs/dbraw/zinc/50/57/95/442505795.db2.gz TVHJKJZHFCLTCM-INIZCTEOSA-N 0 0 336.436 1.499 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(F)c(COCCOC)c1)C(C)C ZINC000178718355 442462818 /nfs/dbraw/zinc/46/28/18/442462818.db2.gz RDWWMSASCLJPNQ-OAHLLOKOSA-N 0 0 340.395 1.489 10 0 EDAERN CCN1CCC[C@@H](NS(=O)(=O)c2cccc(C)c2C(=O)OC)C1 ZINC000156690395 442509067 /nfs/dbraw/zinc/50/90/67/442509067.db2.gz KXFDYCJCJRWXCD-CYBMUJFWSA-N 0 0 340.445 1.544 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(-n2cccc2)c1 ZINC000179834420 442509457 /nfs/dbraw/zinc/50/94/57/442509457.db2.gz NFPCAMWEQSIEHI-QGZVFWFLSA-N 0 0 344.415 1.292 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178756062 442476513 /nfs/dbraw/zinc/47/65/13/442476513.db2.gz BDIDXLLTAUGQQA-CYBMUJFWSA-N 0 0 328.372 1.872 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000191618789 442477588 /nfs/dbraw/zinc/47/75/88/442477588.db2.gz OCBVNCUMSDKZLD-XHDPSFHLSA-N 0 0 338.429 1.881 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCCCc3c[nH]nn3)CCO2)cn1 ZINC000191780153 442509666 /nfs/dbraw/zinc/50/96/66/442509666.db2.gz INPPOINTQOUNTB-HNNXBMFYSA-N 0 0 332.408 1.334 10 0 EDAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000178784022 442484995 /nfs/dbraw/zinc/48/49/95/442484995.db2.gz VPIVSZMDUHRQGB-CHWSQXEVSA-N 0 0 346.387 1.407 10 0 EDAERN Cc1cccc(-n2cc(C(=O)N3CC[C@@H](N4CCOCC4)C3)nn2)c1 ZINC000172755905 442534950 /nfs/dbraw/zinc/53/49/50/442534950.db2.gz KFZZQZWVAKJUCJ-MRXNPFEDSA-N 0 0 341.415 1.122 10 0 EDAERN Cc1noc(-c2ccccc2C(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000172758608 442536301 /nfs/dbraw/zinc/53/63/01/442536301.db2.gz XABMLZPWGAZEQS-AWEZNQCLSA-N 0 0 342.399 1.592 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)/C=C/c2cncc(O)c2)C12CCOCC2 ZINC000186464287 442539633 /nfs/dbraw/zinc/53/96/33/442539633.db2.gz OAECWMMIDOVGCK-MEGKRXCUSA-N 0 0 332.400 1.891 10 0 EDAERN O=C1O[C@H](CN2CCO[C@H](Cn3cccn3)C2)CN1c1ccccc1 ZINC000172793439 442542958 /nfs/dbraw/zinc/54/29/58/442542958.db2.gz VOTXBRPFPKYKHR-DLBZAZTESA-N 0 0 342.399 1.609 10 0 EDAERN CC(C)[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000178991552 442546773 /nfs/dbraw/zinc/54/67/73/442546773.db2.gz BLSWELOXNXCXMN-QGPMSJSTSA-N 0 0 336.407 1.868 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1F ZINC000157076261 442546858 /nfs/dbraw/zinc/54/68/58/442546858.db2.gz YBWBORFBVKGIIT-SNVBAGLBSA-N 0 0 342.371 1.932 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCOC1CCCC1)CC2 ZINC000157113257 442549826 /nfs/dbraw/zinc/54/98/26/442549826.db2.gz GEXWAXAQZUSDKN-ZDUSSCGKSA-N 0 0 335.452 1.975 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCN1CCOC ZINC000157151607 442555372 /nfs/dbraw/zinc/55/53/72/442555372.db2.gz NAPANRHSFXCWNX-OAHLLOKOSA-N 0 0 343.431 1.450 10 0 EDAERN CSCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000186357342 442518676 /nfs/dbraw/zinc/51/86/76/442518676.db2.gz FLOBPKSBLRQVEK-CYBMUJFWSA-N 0 0 345.428 1.731 10 0 EDAERN COCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)c1ccc(OC)cc1)CC2 ZINC000135115146 442557793 /nfs/dbraw/zinc/55/77/93/442557793.db2.gz HYUFJHSMODETOM-TZMCWYRMSA-N 0 0 344.415 1.668 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3CO)ccc2o1 ZINC000178918223 442524803 /nfs/dbraw/zinc/52/48/03/442524803.db2.gz SRVWZZPLALTHDE-TZMCWYRMSA-N 0 0 337.397 1.622 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000186404490 442527678 /nfs/dbraw/zinc/52/76/78/442527678.db2.gz ROJCGDDBIQHHPR-GOSISDBHSA-N 0 0 334.416 1.681 10 0 EDAERN Cc1ccc(-c2nc(CC(=O)N3CCOC[C@H]3C(N)=O)cs2)cc1 ZINC000180265976 442569879 /nfs/dbraw/zinc/56/98/79/442569879.db2.gz SCTKJLOLCKZJRB-AWEZNQCLSA-N 0 0 345.424 1.374 10 0 EDAERN Cc1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc(=O)[nH]1 ZINC000180282246 442573642 /nfs/dbraw/zinc/57/36/42/442573642.db2.gz XKRZOKOXVYHKNS-UHFFFAOYSA-N 0 0 329.404 1.177 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(C)C ZINC000179124252 442577220 /nfs/dbraw/zinc/57/72/20/442577220.db2.gz KDJPNOWBFUCWRA-DOTOQJQBSA-N 0 0 349.450 1.925 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H](C)C(=O)OC(C)C)C(C)C ZINC000173005126 442582936 /nfs/dbraw/zinc/58/29/36/442582936.db2.gz GYTDFOBUVHWJCF-HIFRSBDPSA-N 0 0 328.453 1.877 10 0 EDAERN C[C@@H](NC(=O)c1cccc2c1OCCO2)c1nnc2n1CCCC2 ZINC000135367307 442586951 /nfs/dbraw/zinc/58/69/51/442586951.db2.gz HUUFAZGZQLCYQR-LLVKDONJSA-N 0 0 328.372 1.877 10 0 EDAERN Cc1nc(C)n(Cc2cccc(NC(=O)[C@]3(O)CCSC3)c2)n1 ZINC000157536010 442591822 /nfs/dbraw/zinc/59/18/22/442591822.db2.gz RRNFRWLBDCFXDG-INIZCTEOSA-N 0 0 332.429 1.750 10 0 EDAERN COc1cccc(OCC(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000135423684 442594614 /nfs/dbraw/zinc/59/46/14/442594614.db2.gz GTXNOSCOOUTGRG-LBPRGKRZSA-N 0 0 330.388 1.879 10 0 EDAERN CCc1ncc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)s1 ZINC000173067814 442598503 /nfs/dbraw/zinc/59/85/03/442598503.db2.gz JBJHYGOZZMEZBJ-LLVKDONJSA-N 0 0 347.444 1.673 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cnn(C(C)C)c3C)CC2)no1 ZINC000180209803 442559444 /nfs/dbraw/zinc/55/94/44/442559444.db2.gz CVWHZNVTPMIWIY-UHFFFAOYSA-N 0 0 346.435 1.812 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)N[C@H]2CCOC2)N2CCOCC2)s1 ZINC000179072775 442566226 /nfs/dbraw/zinc/56/62/26/442566226.db2.gz JEYOIFVIAINFAD-UONOGXRCSA-N 0 0 339.461 1.518 10 0 EDAERN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000172922217 442568615 /nfs/dbraw/zinc/56/86/15/442568615.db2.gz MHYXWPICKHAFJR-HNNXBMFYSA-N 0 0 348.834 1.895 10 0 EDAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000179425590 442645630 /nfs/dbraw/zinc/64/56/30/442645630.db2.gz NEDYOVBSLNPYHK-UONOGXRCSA-N 0 0 333.436 1.234 10 0 EDAERN COc1ccc(-n2ccnc2SCC(=O)NCC[C@H](C)O)cc1 ZINC000136039224 442648021 /nfs/dbraw/zinc/64/80/21/442648021.db2.gz BYBMOVOFAOUQGH-LBPRGKRZSA-N 0 0 335.429 1.860 10 0 EDAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000158170602 442651513 /nfs/dbraw/zinc/65/15/13/442651513.db2.gz JVBUXTNJZIVPBM-HIFRSBDPSA-N 0 0 340.468 1.093 10 0 EDAERN Cn1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)c(-c2cccs2)n1 ZINC000157749726 442609928 /nfs/dbraw/zinc/60/99/28/442609928.db2.gz BHWIZYVSFGBJGP-ZDUSSCGKSA-N 0 0 346.456 1.695 10 0 EDAERN COC(=O)Cn1cc(CCN2CCC[C@H]2c2noc(C(C)C)n2)nn1 ZINC000157951920 442631621 /nfs/dbraw/zinc/63/16/21/442631621.db2.gz OZQMCJSFEWQODC-ZDUSSCGKSA-N 0 0 348.407 1.337 10 0 EDAERN CCOCCN(C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000181089107 442679959 /nfs/dbraw/zinc/67/99/59/442679959.db2.gz XKIYGDLTAVZORG-CYBMUJFWSA-N 0 0 326.418 1.583 10 0 EDAERN O=C(CCNC(=O)c1cccs1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181399525 442694730 /nfs/dbraw/zinc/69/47/30/442694730.db2.gz GWEQGDQBONDZSE-NSHDSACASA-N 0 0 333.417 1.740 10 0 EDAERN C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000187938609 442698831 /nfs/dbraw/zinc/69/88/31/442698831.db2.gz DHGUBOXGCMNSIZ-RWMBFGLXSA-N 0 0 329.416 1.544 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NCC3(OC)CCC3)CC2)cn1 ZINC000181581554 442705320 /nfs/dbraw/zinc/70/53/20/442705320.db2.gz HASKCIIDGDZOTN-UHFFFAOYSA-N 0 0 349.479 1.689 10 0 EDAERN CCOC(=O)[C@@H](NCc1nnc(C2CC2)n1C)c1cccc(O)c1 ZINC000181584395 442705474 /nfs/dbraw/zinc/70/54/74/442705474.db2.gz LJWPGDMSVQTEDJ-HNNXBMFYSA-N 0 0 330.388 1.792 10 0 EDAERN CCOC(=O)[C@H](NCc1nnc(C2CC2)n1C)c1cccc(O)c1 ZINC000181584375 442705549 /nfs/dbraw/zinc/70/55/49/442705549.db2.gz LJWPGDMSVQTEDJ-OAHLLOKOSA-N 0 0 330.388 1.792 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCC(=O)NC1CC1 ZINC000192575810 442664305 /nfs/dbraw/zinc/66/43/05/442664305.db2.gz GDEAGXFQCQQYFX-GFCCVEGCSA-N 0 0 332.404 1.372 10 0 EDAERN COc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000192603253 442667242 /nfs/dbraw/zinc/66/72/42/442667242.db2.gz MYFNYMXCNIHSLR-NXEZZACHSA-N 0 0 326.780 1.923 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2)C12CCOCC2 ZINC000187289398 442668020 /nfs/dbraw/zinc/66/80/20/442668020.db2.gz XRCALHBMXWRURU-LSDHHAIUSA-N 0 0 332.400 1.716 10 0 EDAERN Cc1ccc(CS(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c(F)c1 ZINC000192638992 442671509 /nfs/dbraw/zinc/67/15/09/442671509.db2.gz AGAABLARIFEAEI-CQSZACIVSA-N 0 0 338.408 1.893 10 0 EDAERN Cc1c(NC(=O)C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cnn1C ZINC000188137131 442715546 /nfs/dbraw/zinc/71/55/46/442715546.db2.gz XKQVUFMVPVSVAO-LBPRGKRZSA-N 0 0 346.391 1.537 10 0 EDAERN COCc1noc([C@H](C)N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000181800560 442717078 /nfs/dbraw/zinc/71/70/78/442717078.db2.gz BGMSPTQDTWGSQZ-QWHCGFSZSA-N 0 0 332.408 1.668 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O ZINC000193362479 442736282 /nfs/dbraw/zinc/73/62/82/442736282.db2.gz YUEDLRZEXFNWCJ-QFBILLFUSA-N 0 0 346.427 1.644 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2cc(C)sc2C)C1 ZINC000188368163 442743759 /nfs/dbraw/zinc/74/37/59/442743759.db2.gz IQVNVHXRDMZHIU-JTQLQIEISA-N 0 0 325.434 1.582 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000193492032 442748049 /nfs/dbraw/zinc/74/80/49/442748049.db2.gz JYUJZGDQVNVAQG-ZDUSSCGKSA-N 0 0 331.351 1.355 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000188487657 442755402 /nfs/dbraw/zinc/75/54/02/442755402.db2.gz ZYHIDNLKZNXCSU-MRVWCRGKSA-N 0 0 338.404 1.461 10 0 EDAERN Cc1ccc(CC(=O)N2CCOC[C@H]2C(N)=O)cc1Br ZINC000188685673 442787609 /nfs/dbraw/zinc/78/76/09/442787609.db2.gz CHRFIQRGYKSZKH-LBPRGKRZSA-N 0 0 341.205 1.013 10 0 EDAERN Cc1ccc(CN(CCO)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000182636739 442799263 /nfs/dbraw/zinc/79/92/63/442799263.db2.gz NQWCDLGDNXSBMC-HNNXBMFYSA-N 0 0 329.404 1.626 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccoc3Br)CCO2)[nH]1 ZINC000193645112 442763132 /nfs/dbraw/zinc/76/31/32/442763132.db2.gz WZOOCWUDUVAWFO-SECBINFHSA-N 0 0 341.165 1.682 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)N2CCC[C@H](C)C2)n1C ZINC000182394596 442763493 /nfs/dbraw/zinc/76/34/93/442763493.db2.gz HKKKERLTUKOGIU-LBPRGKRZSA-N 0 0 342.465 1.112 10 0 EDAERN CC(=O)Nc1cccc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1C ZINC000188579592 442765369 /nfs/dbraw/zinc/76/53/69/442765369.db2.gz ORRDCVOIQXBRFZ-OAHLLOKOSA-N 0 0 343.387 1.594 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)[C@@H]2CCCO2)ncn1 ZINC000246388162 442777621 /nfs/dbraw/zinc/77/76/21/442777621.db2.gz QWOBGDLZPATOAU-MCIONIFRSA-N 0 0 348.451 1.354 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccccc2N2CCCCC2)C1 ZINC000182705288 442810027 /nfs/dbraw/zinc/81/00/27/442810027.db2.gz WOZHKGIHDZGKBN-KRWDZBQOSA-N 0 0 346.475 1.807 10 0 EDAERN CC(C)OCCNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182810761 442829493 /nfs/dbraw/zinc/82/94/93/442829493.db2.gz RGIDKXZJLTXKFG-LBPRGKRZSA-N 0 0 328.434 1.875 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)CCOCC(F)(F)C(F)F)C1 ZINC000188910660 442841270 /nfs/dbraw/zinc/84/12/70/442841270.db2.gz VWMTZWKTWXPJCX-SNVBAGLBSA-N 0 0 328.306 1.421 10 0 EDAERN COc1n[nH]c(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000182996954 442860922 /nfs/dbraw/zinc/86/09/22/442860922.db2.gz RGTQPDGVRDABHS-WCQYABFASA-N 0 0 329.360 1.362 10 0 EDAERN CC(C)(C)Oc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000183023711 442866357 /nfs/dbraw/zinc/86/63/57/442866357.db2.gz ICCAYCZAEZEBLK-ZDUSSCGKSA-N 0 0 344.419 1.665 10 0 EDAERN COC[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000183038246 442868529 /nfs/dbraw/zinc/86/85/29/442868529.db2.gz CWBVMONYMDDLEB-RNCFNFMXSA-N 0 0 328.771 1.983 10 0 EDAERN CN(CC1(CO)CC1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000189108164 442878934 /nfs/dbraw/zinc/87/89/34/442878934.db2.gz GJXPDVMMQFZMJC-RDJZCZTQSA-N 0 0 330.428 1.827 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000248460582 442894398 /nfs/dbraw/zinc/89/43/98/442894398.db2.gz STUCLYJLXPALEX-JTHCIYPGSA-N 0 0 332.466 1.563 10 0 EDAERN CCOC(=O)[C@H](CC)N(C(=O)[C@@H](C)NC(=O)c1ccco1)C1CC1 ZINC000189200324 442895519 /nfs/dbraw/zinc/89/55/19/442895519.db2.gz KPXOIEZUPAOYDK-YPMHNXCESA-N 0 0 336.388 1.731 10 0 EDAERN COc1cc(NC(=O)[C@@H]2CNC(=O)C2)cc(OC)c1Br ZINC000181730752 318488414 /nfs/dbraw/zinc/48/84/14/318488414.db2.gz RUKZGPNMWGSKFR-ZETCQYMHSA-N 0 0 343.177 1.541 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCS(C)(=O)=O)C[C@H]21 ZINC000248630844 442909999 /nfs/dbraw/zinc/90/99/99/442909999.db2.gz WHKHDCSGPGHFNB-YNEHKIRRSA-N 0 0 332.466 1.266 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@](C)(c3ccc(F)cc3F)C2=O)n1C ZINC000194693390 442938256 /nfs/dbraw/zinc/93/82/56/442938256.db2.gz ITOLUSPTEZSODL-MRXNPFEDSA-N 0 0 349.341 1.623 10 0 EDAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189401524 442941491 /nfs/dbraw/zinc/94/14/91/442941491.db2.gz JJADKYSZJXZZHR-JTQLQIEISA-N 0 0 349.818 1.195 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000183617181 442946820 /nfs/dbraw/zinc/94/68/20/442946820.db2.gz LYZMIESTHBNVHS-ZDUSSCGKSA-N 0 0 329.404 1.489 10 0 EDAERN C[C@H](CC(=O)N1CC(NC(=O)C2CC2)C1)NC(=O)C1CCCCC1 ZINC000189445946 442955956 /nfs/dbraw/zinc/95/59/56/442955956.db2.gz WMHQHXFGGAVAQT-GFCCVEGCSA-N 0 0 335.448 1.199 10 0 EDAERN O=C(NC1CN(C(=O)c2sccc2Br)C1)C1CC1 ZINC000189466480 442961772 /nfs/dbraw/zinc/96/17/72/442961772.db2.gz ADPNZBZXBDPXEE-UHFFFAOYSA-N 0 0 329.219 1.861 10 0 EDAERN Cn1ccc(CC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n1 ZINC000183874189 442972617 /nfs/dbraw/zinc/97/26/17/442972617.db2.gz CYXHXRSKGNRZPR-AWEZNQCLSA-N 0 0 328.420 1.644 10 0 EDAERN CCn1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000249878363 443008308 /nfs/dbraw/zinc/00/83/08/443008308.db2.gz MPVRIOCJKKCEQV-OAGGEKHMSA-N 0 0 338.452 1.034 10 0 EDAERN CCn1c(-c2ccc(NC(C)=O)cc2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512128 443025929 /nfs/dbraw/zinc/02/59/29/443025929.db2.gz UTIXAOBSVRWCSM-UHFFFAOYSA-N 0 0 341.371 1.552 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2ncc(-c3ccccc3)cn2)C1 ZINC000184496408 443029096 /nfs/dbraw/zinc/02/90/96/443029096.db2.gz ZTOLPXMZOBTYNW-MRXNPFEDSA-N 0 0 341.415 1.273 10 0 EDAERN COc1ccc(CNC(=O)N2CC(NC(C)=O)C2)c(C(F)(F)F)c1 ZINC000190012961 443047914 /nfs/dbraw/zinc/04/79/14/443047914.db2.gz RNCQSMLMZACWDY-UHFFFAOYSA-N 0 0 345.321 1.744 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)/C=C\c3cncc(F)c3)CC2)cn1 ZINC000255150366 443087200 /nfs/dbraw/zinc/08/72/00/443087200.db2.gz KPJDUEVBJFDMHE-ARJAWSKDSA-N 0 0 343.406 1.702 10 0 EDAERN CCN(CCCNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000190054415 443051653 /nfs/dbraw/zinc/05/16/53/443051653.db2.gz OBQQZQGPSSAMSV-UHFFFAOYSA-N 0 0 344.459 1.823 10 0 EDAERN CN1CCN(c2ncc(NC(=O)c3ccc4c(c3)OCO4)cn2)CC1 ZINC000224253696 443098133 /nfs/dbraw/zinc/09/81/33/443098133.db2.gz QOIHFVCOCYXWAD-UHFFFAOYSA-N 0 0 341.371 1.209 10 0 EDAERN Ic1ccn(-c2cnnc(N3CCC3)c2)n1 ZINC000217709929 443057162 /nfs/dbraw/zinc/05/71/62/443057162.db2.gz PGSZTLRCGODERK-UHFFFAOYSA-N 0 0 327.129 1.477 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCN(C)c2ccccc2)CC1 ZINC000184764329 443073710 /nfs/dbraw/zinc/07/37/10/443073710.db2.gz ORLNQPFXXNHWCD-KRWDZBQOSA-N 0 0 334.464 1.221 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000190231300 443073967 /nfs/dbraw/zinc/07/39/67/443073967.db2.gz JWLXBTXBFPNCOF-LBPRGKRZSA-N 0 0 327.388 1.463 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(NC(C)=O)c2)CC1 ZINC000184801987 443078349 /nfs/dbraw/zinc/07/83/49/443078349.db2.gz ORIYLDPXGDKHLI-QGZVFWFLSA-N 0 0 348.447 1.243 10 0 EDAERN COc1cccc(OC)c1S(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000184975815 443109351 /nfs/dbraw/zinc/10/93/51/443109351.db2.gz DBHPEWBWWMGVTI-OLZOCXBDSA-N 0 0 342.461 1.711 10 0 EDAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000190461836 443113284 /nfs/dbraw/zinc/11/32/84/443113284.db2.gz PHEPHNPMHGOQPE-CYBMUJFWSA-N 0 0 332.400 1.322 10 0 EDAERN CCn1ccc(C(=O)N2CC(c3nc(-c4ccsc4)nn3C)C2)n1 ZINC000257174017 443116096 /nfs/dbraw/zinc/11/60/96/443116096.db2.gz BHIXMUDBELIRPE-UHFFFAOYSA-N 0 0 342.428 2.000 10 0 EDAERN CCO[C@@H]1C[C@H](N[C@H](C(=O)OC)c2cccnc2)C12CCOCC2 ZINC000185005244 443116225 /nfs/dbraw/zinc/11/62/25/443116225.db2.gz DZBCLEBCFAFOTK-XHSDSOJGSA-N 0 0 334.416 1.860 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000190484282 443117532 /nfs/dbraw/zinc/11/75/32/443117532.db2.gz QFMHTZMRWNVXIV-KBPBESRZSA-N 0 0 337.217 1.900 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCCOc2ccc(C)cc2)CC1 ZINC000185017299 443119592 /nfs/dbraw/zinc/11/95/92/443119592.db2.gz QOCKPPNUQDUZEG-QGZVFWFLSA-N 0 0 349.475 1.862 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)NC2CCCCCCC2)n1 ZINC000185070308 443129978 /nfs/dbraw/zinc/12/99/78/443129978.db2.gz WIODPXNWAINVRR-HNNXBMFYSA-N 0 0 336.436 1.980 10 0 EDAERN CCn1cnnc1C1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185240323 443167624 /nfs/dbraw/zinc/16/76/24/443167624.db2.gz QPGADENLDOHEHR-LBPRGKRZSA-N 0 0 327.454 1.207 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000185275525 443174111 /nfs/dbraw/zinc/17/41/11/443174111.db2.gz YYMZZWYLQKAHMW-UHFFFAOYSA-N 0 0 326.396 1.746 10 0 EDAERN CCOc1ncccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190758412 443177994 /nfs/dbraw/zinc/17/79/94/443177994.db2.gz XVHAVAIMBXJQLL-CYBMUJFWSA-N 0 0 343.387 1.307 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)Nc3cccc(OC)c3)CCO2)cn1 ZINC000190779745 443182494 /nfs/dbraw/zinc/18/24/94/443182494.db2.gz PYTNJGXQSYMAGS-QGZVFWFLSA-N 0 0 344.415 1.924 10 0 EDAERN O[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2[C@H](O)[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000238809167 443197234 /nfs/dbraw/zinc/19/72/34/443197234.db2.gz LJLFYCLESOMKAW-CMXYNOPPSA-N 0 0 340.416 1.611 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)Cc3ccoc3)CC2)n1 ZINC000185368177 443190051 /nfs/dbraw/zinc/19/00/51/443190051.db2.gz PBXDDJJNXPGWDO-UHFFFAOYSA-N 0 0 330.388 1.668 10 0 EDAERN CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)ccc1C ZINC000190659355 443158344 /nfs/dbraw/zinc/15/83/44/443158344.db2.gz CZMVMMQYLGUEPF-DGCLKSJQSA-N 0 0 326.418 1.657 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000190675232 443162239 /nfs/dbraw/zinc/16/22/39/443162239.db2.gz RTZZCIDALFXSCM-MRVPVSSYSA-N 0 0 344.198 1.669 10 0 EDAERN NC(=O)c1cc(I)cnc1OC(F)(F)F ZINC000238611036 443196206 /nfs/dbraw/zinc/19/62/06/443196206.db2.gz USNPFOKAAADHLT-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000190990212 443220322 /nfs/dbraw/zinc/22/03/22/443220322.db2.gz IWZHVNHHNREAHC-SSDOTTSWSA-N 0 0 338.216 1.288 10 0 EDAERN CC(C)(C(=O)N1CC[C@@H](COCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000384009840 319125807 /nfs/dbraw/zinc/12/58/07/319125807.db2.gz KTCDXAMNSBFCEN-GOSISDBHSA-N 0 0 345.487 1.736 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CC1CCC2(CC1)OCCO2 ZINC000191303005 443274801 /nfs/dbraw/zinc/27/48/01/443274801.db2.gz ZBHPCRQTWCHSPK-CQSZACIVSA-N 0 0 334.420 1.861 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCC(O)(c2ccccc2)CC1)C(C)C ZINC000185893913 443276984 /nfs/dbraw/zinc/27/69/84/443276984.db2.gz LLJZBGXDTYNVOX-OAHLLOKOSA-N 0 0 334.416 1.877 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)C(C)C ZINC000246242986 443282354 /nfs/dbraw/zinc/28/23/54/443282354.db2.gz TZBCEHRLQNCSAK-BYCMXARLSA-N 0 0 331.416 1.782 10 0 EDAERN O=C(NC1CN(C[C@H](O)COCc2ccccc2F)C1)C1CCC1 ZINC000185939239 443288456 /nfs/dbraw/zinc/28/84/56/443288456.db2.gz DRDDRXXYTGIEFU-INIZCTEOSA-N 0 0 336.407 1.304 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCOc1ncccc1Cl ZINC000191483133 443300627 /nfs/dbraw/zinc/30/06/27/443300627.db2.gz BLQOELOFSBVBMK-SNVBAGLBSA-N 0 0 326.784 1.034 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 ZINC000191501299 443304554 /nfs/dbraw/zinc/30/45/54/443304554.db2.gz TTWFPIIJMYZTRX-UHFFFAOYSA-N 0 0 338.411 1.775 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccon1)c1cccc(-n2ccnc2)c1 ZINC000186016501 443298253 /nfs/dbraw/zinc/29/82/53/443298253.db2.gz UECDOUQYTHDLIE-LLVKDONJSA-N 0 0 325.328 1.676 10 0 EDAERN CC(C)Oc1cccnc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299743821 444131510 /nfs/dbraw/zinc/13/15/10/444131510.db2.gz MLJWWHVJDUAIDC-NXEZZACHSA-N 0 0 345.321 1.605 10 0 EDAERN N#Cc1cc(F)c(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000299745595 444132342 /nfs/dbraw/zinc/13/23/42/444132342.db2.gz RHMOHZRXLQSMSN-HTQZYQBOSA-N 0 0 347.243 1.572 10 0 EDAERN COc1ccc(C#N)cc1CN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746288 444132975 /nfs/dbraw/zinc/13/29/75/444132975.db2.gz WKLZASUHNKTZMJ-VXGBXAGGSA-N 0 0 327.306 1.662 10 0 EDAERN C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328639816 444408692 /nfs/dbraw/zinc/40/86/92/444408692.db2.gz PQJKMOFTRNEGKP-QMMMGPOBSA-N 0 0 330.314 1.420 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC000328609426 444392540 /nfs/dbraw/zinc/39/25/40/444392540.db2.gz DGWNLXFUBDYJTP-YUTCNCBUSA-N 0 0 347.346 1.809 10 0 EDAERN COc1ccccc1CCCN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328621170 444397546 /nfs/dbraw/zinc/39/75/46/444397546.db2.gz AJDOWISAVJUDNB-CYBMUJFWSA-N 0 0 330.388 1.947 10 0 EDAERN NC(=O)c1noc([C@@H]2CCCN2C[C@H](O)c2c(F)cccc2F)n1 ZINC000328621455 444397678 /nfs/dbraw/zinc/39/76/78/444397678.db2.gz AMNJBCDATLQETP-QWRGUYRKSA-N 0 0 338.314 1.317 10 0 EDAERN C[NH+](C)C[C@@H](O)CC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000382031128 447462311 /nfs/dbraw/zinc/46/23/11/447462311.db2.gz DMBYXBKQLCQMAL-LBPRGKRZSA-N 0 0 330.425 1.401 10 0 EDAERN COC(=O)c1cnc2c(I)cccc2c1O ZINC000165894817 533711184 /nfs/dbraw/zinc/71/11/84/533711184.db2.gz SHHQFOVQYGWQRE-UHFFFAOYSA-N 0 0 329.093 1.919 10 0 EDAERN COC(=O)Cc1cc(I)cc(N)c1[N+](=O)[O-] ZINC000575641881 447879205 /nfs/dbraw/zinc/87/92/05/447879205.db2.gz XDCOTPORLOLAFV-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CCOC(=O)Cc1cc(N)c(OC)c(I)c1 ZINC000575724936 447882357 /nfs/dbraw/zinc/88/23/57/447882357.db2.gz NZEIRBCESSIWDP-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN O=C(Cc1cccs1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000583615073 448440744 /nfs/dbraw/zinc/44/07/44/448440744.db2.gz WQBWOMPVCAGBBH-KBPBESRZSA-N 0 0 334.420 1.809 10 0 EDAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncnc3ccc(F)cc32)C1 ZINC000583617339 448443381 /nfs/dbraw/zinc/44/33/81/448443381.db2.gz UYCCJQQUEHIQJA-BBRMVZONSA-N 0 0 344.390 1.985 10 0 EDAERN NC(=O)[C@@]1(O)CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC000528501053 448557319 /nfs/dbraw/zinc/55/73/19/448557319.db2.gz CRXXREBCVXNZOF-CYBMUJFWSA-N 0 0 349.175 1.540 10 0 EDAERN NS(=O)(=O)c1cccc(-c2cc(F)cc(F)c2)c1-c1nn[nH]n1 ZINC000584611538 448585097 /nfs/dbraw/zinc/58/50/97/448585097.db2.gz FOWFAFWACNOGOA-UHFFFAOYSA-N 0 0 337.311 1.459 10 0 EDAERN Cc1ccc(CCNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)nc1 ZINC000616185821 450348295 /nfs/dbraw/zinc/34/82/95/450348295.db2.gz JSQFTFAVPOVMJC-HZPDHXFCSA-N 0 0 328.416 1.950 10 0 EDAERN CN1C[C@@H](CNC(=O)c2ccc(F)c(Br)c2)CC1=O ZINC000619003404 450372529 /nfs/dbraw/zinc/37/25/29/450372529.db2.gz IEAGXZYTARLPTB-MRVPVSSYSA-N 0 0 329.169 1.796 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc2n[nH]cc2c1 ZINC000619314472 450457043 /nfs/dbraw/zinc/45/70/43/450457043.db2.gz GMSFZMFLJQHPIN-SUMWQHHRSA-N 0 0 339.399 1.733 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616647158 450457601 /nfs/dbraw/zinc/45/76/01/450457601.db2.gz CLBUSELKNQAEQX-HNNXBMFYSA-N 0 0 349.431 1.684 10 0 EDAERN Nc1ccc([C@H]2COCCCN2S(=O)(=O)c2ccccc2)cn1 ZINC000616649244 450457987 /nfs/dbraw/zinc/45/79/87/450457987.db2.gz SWWBFDKNVZOKGG-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H](OC(F)(F)F)C1 ZINC000616663665 450459000 /nfs/dbraw/zinc/45/90/00/450459000.db2.gz MRKUVKVVAYOSIX-SNVBAGLBSA-N 0 0 328.331 1.748 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@H]1c1cccc(CCO)c1 ZINC000616686152 450459944 /nfs/dbraw/zinc/45/99/44/450459944.db2.gz IYXCVGFVKNWLBU-INIZCTEOSA-N 0 0 333.413 1.398 10 0 EDAERN CC(C)OCc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1 ZINC000616768108 450479428 /nfs/dbraw/zinc/47/94/28/450479428.db2.gz YPBSLFAWHSFFOW-IKGGRYGDSA-N 0 0 329.400 1.912 10 0 EDAERN Cc1c(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)oc2c1C(=O)CCC2 ZINC000616769590 450479712 /nfs/dbraw/zinc/47/97/12/450479712.db2.gz GSAXKHOYSUPMHQ-GMXABZIVSA-N 0 0 329.356 1.408 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)cc1F ZINC000624393941 450829078 /nfs/dbraw/zinc/82/90/78/450829078.db2.gz PMABAHXKKBGZCU-BDAKNGLRSA-N 0 0 339.186 1.207 10 0 EDAERN CCn1nc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c2ccccc21 ZINC000628376527 451233191 /nfs/dbraw/zinc/23/31/91/451233191.db2.gz ZIUDUKGSQBEXKR-QZTJIDSGSA-N 0 0 341.415 1.414 10 0 EDAERN CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ncnn2-c2ccccc2)C1 ZINC000643812268 452689110 /nfs/dbraw/zinc/68/91/10/452689110.db2.gz KINFJVXRECQNTC-SFHVURJKSA-N 0 0 343.431 1.073 10 0 EDAERN NC(=O)C[C@@]1(O)CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000644007425 452923454 /nfs/dbraw/zinc/92/34/54/452923454.db2.gz ZAKOSBNGBPVJEY-SFHVURJKSA-N 0 0 348.418 1.866 10 0 EDAERN C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)[O-] ZINC000386588486 486772017 /nfs/dbraw/zinc/77/20/17/486772017.db2.gz COKCOTKZHZNCGT-XLNGHYISSA-N 0 0 345.443 1.917 10 0 EDAERN CCOC[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@H]1c1cnn(C)c1 ZINC000585655503 486042428 /nfs/dbraw/zinc/04/24/28/486042428.db2.gz VPFXMPTZOMECRJ-STQMWFEESA-N 0 0 327.392 1.343 10 0 EDAERN Cc1cc(C)cc(OCCC(=O)N2CC[C@](O)(Cn3ccnn3)C2)c1 ZINC000671500117 486628664 /nfs/dbraw/zinc/62/86/64/486628664.db2.gz QFIYILLDIDNADX-GOSISDBHSA-N 0 0 344.415 1.327 10 0 EDAERN COc1ccc(COCCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000179493350 533721637 /nfs/dbraw/zinc/72/16/37/533721637.db2.gz PDQLWXSBWXFKBR-CQSZACIVSA-N 0 0 345.403 1.118 10 0 EDAERN C[C@H]1CN(C(=O)c2cccnc2N2CCCC2)C[C@H]1N1CCOCC1 ZINC000173808439 533887570 /nfs/dbraw/zinc/88/75/70/533887570.db2.gz VNYPUBLNEPDCDP-DOTOQJQBSA-N 0 0 344.459 1.475 10 0 EDAERN C[C@H](NS(=O)(=O)c1cccc(F)c1C(N)=S)[C@@H]1CCOC1 ZINC000166235802 533971322 /nfs/dbraw/zinc/97/13/22/533971322.db2.gz IJDPCBUORZPCCM-DTWKUNHWSA-N 0 0 332.422 1.163 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccc(Br)nc1)N1CCOCC1 ZINC000166437530 533993684 /nfs/dbraw/zinc/99/36/84/533993684.db2.gz VLVFGLYTNBBWSR-JTQLQIEISA-N 0 0 343.225 1.686 10 0 EDAERN C[C@@H](SC[C@H](O)CO)C(=O)Nc1ccccc1Br ZINC000177440428 533995940 /nfs/dbraw/zinc/99/59/40/533995940.db2.gz PQAMFYNEDMZRHI-RKDXNWHRSA-N 0 0 334.235 1.863 10 0 EDAERN Cc1ccc(-n2[n-]c(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2=O)cc1 ZINC000174342914 534236715 /nfs/dbraw/zinc/23/67/15/534236715.db2.gz PWFNLFOUHLBZQH-INIZCTEOSA-N 0 0 340.427 1.784 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)cc1F ZINC000155755694 534283245 /nfs/dbraw/zinc/28/32/45/534283245.db2.gz NACHLNJQGUQFTG-LBPRGKRZSA-N 0 0 326.299 1.457 10 0 EDAERN Cc1noc(CCCC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000187596999 534397356 /nfs/dbraw/zinc/39/73/56/534397356.db2.gz ZSJCIPBECOEANB-KBPBESRZSA-N 0 0 335.429 1.997 10 0 EDAERN Cc1nc(C[C@@H]2CCCN([C@@H]3CCN(CC(F)(F)F)C3=O)C2)no1 ZINC000171923059 534410036 /nfs/dbraw/zinc/41/00/36/534410036.db2.gz SRDOTSSUHQKNJD-NWDGAFQWSA-N 0 0 346.353 1.796 10 0 EDAERN O=C(CSc1ccc(Br)cc1)N1CCO[C@@H](CO)C1 ZINC000168382957 534669869 /nfs/dbraw/zinc/66/98/69/534669869.db2.gz RCSOXQZRSXKXSN-LLVKDONJSA-N 0 0 346.246 1.761 10 0 EDAERN O=C(CSc1ccc(Cl)cc1)NC[C@H](O)CN1CCOCC1 ZINC000154151133 534670934 /nfs/dbraw/zinc/67/09/34/534670934.db2.gz LDKJWTCPAZTMCJ-ZDUSSCGKSA-N 0 0 344.864 1.241 10 0 EDAERN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@H](n2cncn2)C1 ZINC000171661589 534681008 /nfs/dbraw/zinc/68/10/08/534681008.db2.gz MLOQESWKWXINJS-LBPRGKRZSA-N 0 0 339.355 1.704 10 0 EDAERN Cn1cc(C(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000174865858 534728655 /nfs/dbraw/zinc/72/86/55/534728655.db2.gz OIUUVIMBPMIAQV-JKSUJKDBSA-N 0 0 327.384 1.718 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCS[C@@H](C)C3)c2)no1 ZINC000171468726 534860045 /nfs/dbraw/zinc/86/00/45/534860045.db2.gz KDYPQIRGUUMIGI-JTQLQIEISA-N 0 0 346.412 1.947 10 0 EDAERN O=S1(=O)CCCC[C@H]1[C@@H](O)Cc1ccc(Br)cn1 ZINC000158377678 534875302 /nfs/dbraw/zinc/87/53/02/534875302.db2.gz DZPAAZREFHLOLE-RYUDHWBXSA-N 0 0 334.235 1.715 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]12 ZINC000248591443 534895368 /nfs/dbraw/zinc/89/53/68/534895368.db2.gz LCNZFMZFOPLHGO-MGPQQGTHSA-N 0 0 349.435 1.430 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000190049222 526711492 /nfs/dbraw/zinc/71/14/92/526711492.db2.gz JHXLXHBQCVXDNV-AWEZNQCLSA-N 0 0 330.413 1.762 10 0 EDAERN CC(C)(C)c1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187984887 526778848 /nfs/dbraw/zinc/77/88/48/526778848.db2.gz ABMUNFLOJREJBE-UHFFFAOYSA-N 0 0 343.427 1.660 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)C1 ZINC000176961554 526899846 /nfs/dbraw/zinc/89/98/46/526899846.db2.gz YUXDINYQTITIKD-ZDUSSCGKSA-N 0 0 331.376 1.124 10 0 EDAERN CC(=O)c1cc(Br)cc(N)c1OCc1ncnn1C ZINC000165066194 527183231 /nfs/dbraw/zinc/18/32/31/527183231.db2.gz PIWDBIRDWOGAKE-UHFFFAOYSA-N 0 0 325.166 1.941 10 0 EDAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCc3c(O)cccc31)CC2 ZINC000188421652 527197209 /nfs/dbraw/zinc/19/72/09/527197209.db2.gz KXKUXBLOVWAOHT-IUODEOHRSA-N 0 0 341.415 1.984 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000152182538 527713764 /nfs/dbraw/zinc/71/37/64/527713764.db2.gz WXRFHPKJERZGCO-CYBMUJFWSA-N 0 0 328.372 1.872 10 0 EDAERN CCN(C)C(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000187251164 527719762 /nfs/dbraw/zinc/71/97/62/527719762.db2.gz CVCAYSDSVDSQRG-PBHICJAKSA-N 0 0 331.416 1.191 10 0 EDAERN CCC[C@@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168900863 527727931 /nfs/dbraw/zinc/72/79/31/527727931.db2.gz JARGAFHWDSNTSH-LLVKDONJSA-N 0 0 326.194 1.471 10 0 EDAERN CC1(NS(=O)(=O)c2cc(Br)cc(CO)c2F)CC1 ZINC000168521660 528033802 /nfs/dbraw/zinc/03/38/02/528033802.db2.gz PBEAHJCHBSKVFK-UHFFFAOYSA-N 0 0 338.198 1.911 10 0 EDAERN CC[NH+](CC)CCOc1nc[n-]c(=O)c1I ZINC000165715670 528156536 /nfs/dbraw/zinc/15/65/36/528156536.db2.gz VMXDQIFAWQBQKT-UHFFFAOYSA-N 0 0 337.161 1.095 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)Cc3ccncc3)CC2)n1 ZINC000181986143 528255626 /nfs/dbraw/zinc/25/56/26/528255626.db2.gz GSBCLBGJEAAACB-UHFFFAOYSA-N 0 0 341.415 1.470 10 0 EDAERN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130730399 528302611 /nfs/dbraw/zinc/30/26/11/528302611.db2.gz RNSODLUNQMUSMU-DGCLKSJQSA-N 0 0 338.379 1.830 10 0 EDAERN CCOc1ccc(Br)cc1NC(=O)[C@H]1CNC(=O)C1 ZINC000171084497 528375984 /nfs/dbraw/zinc/37/59/84/528375984.db2.gz JNJOJXYUNRUGAM-MRVPVSSYSA-N 0 0 327.178 1.922 10 0 EDAERN CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000183364322 528381456 /nfs/dbraw/zinc/38/14/56/528381456.db2.gz RRYDQROEPVKYOO-DOMZBBRYSA-N 0 0 340.445 1.211 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000184225304 528479708 /nfs/dbraw/zinc/47/97/08/528479708.db2.gz GHHLPKAHBFOMKO-OAHLLOKOSA-N 0 0 329.404 1.707 10 0 EDAERN CCC[NH2+]C[C@H]1CCCN(c2nc[n-]c(=O)c2Br)C1 ZINC000165370513 528517372 /nfs/dbraw/zinc/51/73/72/528517372.db2.gz IBDZSUYVNYRTTK-SNVBAGLBSA-N 0 0 329.242 1.748 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174009374 528639711 /nfs/dbraw/zinc/63/97/11/528639711.db2.gz VXAWBQFUNPZLTG-MRXNPFEDSA-N 0 0 345.443 1.511 10 0 EDAERN CCCCOc1ccc(CCNC(=O)N2CC(NC(C)=O)C2)cc1 ZINC000189796659 528669746 /nfs/dbraw/zinc/66/97/46/528669746.db2.gz GKMHBTDVDKVBCX-UHFFFAOYSA-N 0 0 333.432 1.938 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000176565453 528703790 /nfs/dbraw/zinc/70/37/90/528703790.db2.gz RHXUDUJKSQQBGG-PVBMHHQDSA-N 0 0 326.426 1.944 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000176569185 528704645 /nfs/dbraw/zinc/70/46/45/528704645.db2.gz ZMCGCLRTTSBXJG-DBYOKNNSSA-N 0 0 341.481 1.586 10 0 EDAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000153774322 528757108 /nfs/dbraw/zinc/75/71/08/528757108.db2.gz UZJAEBWQWQXPDM-NWDGAFQWSA-N 0 0 337.424 1.186 10 0 EDAERN CCS(=O)(=O)CC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174891016 528781271 /nfs/dbraw/zinc/78/12/71/528781271.db2.gz PWQIEHYMAQTMFP-GJZGRUSLSA-N 0 0 325.430 1.536 10 0 EDAERN CCSCC[C@@H](C)NC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000174968673 529187354 /nfs/dbraw/zinc/18/73/54/529187354.db2.gz ZHZVUDCNWRQVBN-VXGBXAGGSA-N 0 0 325.482 1.986 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000181858713 529227034 /nfs/dbraw/zinc/22/70/34/529227034.db2.gz GWXVYNWLZZTEHW-IAGOWNOFSA-N 0 0 349.475 1.860 10 0 EDAERN CCC(CC)N1C[C@H](C(=O)N2CCN(CCOC)[C@@H](C)C2)CC1=O ZINC000247215068 535055924 /nfs/dbraw/zinc/05/59/24/535055924.db2.gz UXNAWDOEHWWGFE-LSDHHAIUSA-N 0 0 339.480 1.203 10 0 EDAERN CCCc1cc(N2CCO[C@@H](c3nnc(C)[nH]3)C2)n2ncnc2n1 ZINC000175776547 535399108 /nfs/dbraw/zinc/39/91/08/535399108.db2.gz AAPSDVPKJYTJHK-GFCCVEGCSA-N 0 0 328.380 1.081 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C[C@@H]1CC ZINC000246962027 535599445 /nfs/dbraw/zinc/59/94/45/535599445.db2.gz JTWFWRVQQNBDQX-ULQDDVLXSA-N 0 0 342.480 1.530 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CSCCS1)CC2 ZINC000176520693 536164171 /nfs/dbraw/zinc/16/41/71/536164171.db2.gz INMZLPKAWCGLPG-MNOVXSKESA-N 0 0 341.506 1.303 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189427692 536666024 /nfs/dbraw/zinc/66/60/24/536666024.db2.gz QRUFSBWDXQGZQI-UHFFFAOYSA-N 0 0 330.384 1.395 10 0 EDAERN COc1cc(CC2CN(C(=O)[C@@H](C)N3CCOCC3)C2)cc(OC)c1 ZINC000333346007 536731828 /nfs/dbraw/zinc/73/18/28/536731828.db2.gz QLKNXCUDEZKJNJ-CQSZACIVSA-N 0 0 348.443 1.425 10 0 EDAERN COCCN1CCN(C(=O)C[C@H](C)NC(=O)C2CCCC2)C[C@H]1C ZINC000246947860 536865046 /nfs/dbraw/zinc/86/50/46/536865046.db2.gz CNTYCZYEVZZKOG-LSDHHAIUSA-N 0 0 339.480 1.251 10 0 EDAERN COc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246546323 537101649 /nfs/dbraw/zinc/10/16/49/537101649.db2.gz QPNJXLPRGGKNDE-ZIAGYGMSSA-N 0 0 340.445 1.036 10 0 EDAERN NC(=O)[C@@H]1CCN1C(=O)c1csc(I)c1 ZINC000757145074 578634551 /nfs/dbraw/zinc/63/45/51/578634551.db2.gz KNICIBQYRZIQOR-LURJTMIESA-N 0 0 336.154 1.053 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)N2CCC(c3ncc[nH]3)CC2)C1=O ZINC000888076157 590929843 /nfs/dbraw/zinc/92/98/43/590929843.db2.gz BMQMKQIHZJCZRE-CQSZACIVSA-N 0 0 334.420 1.143 10 0 EDAERN CN1C(=O)C[C@@H](CNc2nnnn2-c2ccccc2)[C@@H]1c1ccncc1 ZINC000888076486 590931158 /nfs/dbraw/zinc/93/11/58/590931158.db2.gz NZWPJOUBVIQFIX-YOEHRIQHSA-N 0 0 349.398 1.111 10 0 EDAERN CO[C@H]1CCCCN(CC(=O)Nc2nc3cc(F)ccc3n2C)C1=O ZINC000888076605 590931336 /nfs/dbraw/zinc/93/13/36/590931336.db2.gz YNGCACAIEIFRCP-AWEZNQCLSA-N 0 0 348.378 1.678 10 0 EDAERN Cc1ccc(C)c(OCC[N@H+]2CCC[C@](O)(Cc3nncn3C)C2)c1 ZINC000888077079 590932073 /nfs/dbraw/zinc/93/20/73/590932073.db2.gz HYZDGKPVVVSJSN-IBGZPJMESA-N 0 0 344.459 1.880 10 0 EDAERN Cc1cnnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000892381883 591002700 /nfs/dbraw/zinc/00/27/00/591002700.db2.gz YREZFHHLEFRMCU-MRXNPFEDSA-N 0 0 328.416 1.347 10 0 EDAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ncccc1-n1ncc2ccccc21 ZINC000888092939 591022440 /nfs/dbraw/zinc/02/24/40/591022440.db2.gz ZJSBERUUBZSWNN-GXTWGEPZSA-N 0 0 349.394 1.817 10 0 EDAERN Cc1nc(C2CC2)ccc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093500 591023747 /nfs/dbraw/zinc/02/37/47/591023747.db2.gz ANRUQPQPXDANEK-DLBZAZTESA-N 0 0 342.399 1.577 10 0 EDAERN Cc1c(Cl)c(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)nn1C ZINC000888094780 591024402 /nfs/dbraw/zinc/02/44/02/591024402.db2.gz CKVDSGWPXHLDBG-NWDGAFQWSA-N 0 0 337.811 1.845 10 0 EDAERN CCN1CCO[C@@H](CNc2nnc(C)c(C)n2)[C@@H]1c1cncn1C ZINC000888102700 591030880 /nfs/dbraw/zinc/03/08/80/591030880.db2.gz HCXQSVNFXZMMAE-GJZGRUSLSA-N 0 0 331.424 1.096 10 0 EDAERN Cc1nc(C2CC2)ccc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888103103 591031298 /nfs/dbraw/zinc/03/12/98/591031298.db2.gz GUFZNBOOGCSPAJ-JZXOWHBKSA-N 0 0 343.427 1.823 10 0 EDAERN C[C@@H](O)c1cccc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)n1 ZINC000894306298 591272995 /nfs/dbraw/zinc/27/29/95/591272995.db2.gz XMAJQDAYUWDTMM-KZULUSFZSA-N 0 0 344.415 1.969 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899082434 591670316 /nfs/dbraw/zinc/67/03/16/591670316.db2.gz HWDUPRUOLYLKDC-INIZCTEOSA-N 0 0 349.398 1.823 10 0 EDAERN O=C(c1csc2cncn21)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899078853 591675512 /nfs/dbraw/zinc/67/55/12/591675512.db2.gz RCHRVGJSKCDIAC-LLVKDONJSA-N 0 0 328.401 1.952 10 0 EDAERN COCCn1ccc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)n1 ZINC000899085438 591678198 /nfs/dbraw/zinc/67/81/98/591678198.db2.gz ROXNBLIHUYXSBI-CYBMUJFWSA-N 0 0 330.392 1.086 10 0 EDAERN COc1cc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)ncn1 ZINC000818145241 593674635 /nfs/dbraw/zinc/67/46/35/593674635.db2.gz NHJUHZBBDMRCBS-MRXNPFEDSA-N 0 0 331.376 1.320 10 0 EDAERN Cn1ccc(C(=O)N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c1 ZINC000818493167 593701011 /nfs/dbraw/zinc/70/10/11/593701011.db2.gz IACAZLNBFUIUMT-QGZVFWFLSA-N 0 0 330.388 1.495 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cn2ncn(CCOC)c2=S)C1 ZINC000101538786 595166404 /nfs/dbraw/zinc/16/64/04/595166404.db2.gz IHILXITUQWEOSL-CYBMUJFWSA-N 0 0 341.481 1.399 10 0 EDAERN C[C@@H]1CN(Cn2nc(-c3ccccc3)oc2=S)C[C@H](C(N)=O)O1 ZINC000120194167 596311146 /nfs/dbraw/zinc/31/11/46/596311146.db2.gz IZQTUSGTMLRDBH-ZYHUDNBSSA-N 0 0 334.401 1.405 10 0 EDAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCC(N2CCCCC2=O)CC1 ZINC000126657540 597548052 /nfs/dbraw/zinc/54/80/52/597548052.db2.gz UWWGVSJWQPEFMT-HZPDHXFCSA-N 0 0 345.443 1.372 10 0 EDAERN CC(C)N(Cc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126686220 597553141 /nfs/dbraw/zinc/55/31/41/597553141.db2.gz PEGFZXNVHDJHGA-GFCCVEGCSA-N 0 0 330.475 1.262 10 0 EDAERN CCc1nc(C2(NCN3C(=O)N[C@H](CC(C)C)C3=O)CCCC2)no1 ZINC000132146619 597797978 /nfs/dbraw/zinc/79/79/78/597797978.db2.gz UMMVYXXIXGGQFL-GFCCVEGCSA-N 0 0 349.435 1.915 10 0 EDAERN OCc1nn(CN2CCC(Cn3cccn3)CC2)c(=S)n1C1CC1 ZINC000133046844 597927972 /nfs/dbraw/zinc/92/79/72/597927972.db2.gz MAJCMJWSUHUUMO-UHFFFAOYSA-N 0 0 348.476 1.807 10 0 EDAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175280108 697714847 /nfs/dbraw/zinc/71/48/47/697714847.db2.gz SERZXJNDWSHPRC-APHBMKBZSA-N 0 0 330.388 1.734 10 0 EDAERN CCn1c(=O)c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2[n-]c1=S ZINC000170856034 698288250 /nfs/dbraw/zinc/28/82/50/698288250.db2.gz HCXGJKKZUOHUSQ-LBPRGKRZSA-N 0 0 346.456 1.481 10 0 EDAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@H](c3nc(C)cs3)C2)C1 ZINC000181365580 699522756 /nfs/dbraw/zinc/52/27/56/699522756.db2.gz WWDPQWSSNGZDMW-QWHCGFSZSA-N 0 0 337.445 1.610 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000185703762 704862372 /nfs/dbraw/zinc/86/23/72/704862372.db2.gz APYMWPQGJPVMSZ-MRXNPFEDSA-N 0 0 333.432 1.724 10 0 EDAERN COC[C@H](O)CN(C)CC(=O)Nc1ccc(Br)cc1 ZINC000050117513 214045525 /nfs/dbraw/zinc/04/55/25/214045525.db2.gz BZTXYCRLJHZNBH-GFCCVEGCSA-N 0 0 331.210 1.327 10 0 EDAERN CO[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1N ZINC000050368276 214054530 /nfs/dbraw/zinc/05/45/30/214054530.db2.gz GPXACAFEOBUNEF-WDEREUQCSA-N 0 0 349.250 1.877 10 0 EDAERN CCCCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC ZINC000050632163 214061666 /nfs/dbraw/zinc/06/16/66/214061666.db2.gz KWNGMAFFNINKHO-UHFFFAOYSA-N 0 0 334.463 1.552 10 0 EDAERN CCC[C@@H](CC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050661368 214064946 /nfs/dbraw/zinc/06/49/46/214064946.db2.gz PEHYPRDXEAQHDJ-SNVBAGLBSA-N 0 0 334.463 1.529 10 0 EDAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000050724313 214068793 /nfs/dbraw/zinc/06/87/93/214068793.db2.gz FKUVWCQCXAISFO-OLZOCXBDSA-N 0 0 335.404 1.163 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)NCCOCCOC ZINC000050776014 214069025 /nfs/dbraw/zinc/06/90/25/214069025.db2.gz IUOHCQHMRQGVKO-UHFFFAOYSA-N 0 0 346.225 1.669 10 0 EDAERN C[C@H](CN(C)S(=O)(=O)NC1CCCC1)NC(=O)OC(C)(C)C ZINC000062519046 214721030 /nfs/dbraw/zinc/72/10/30/214721030.db2.gz RNEIADGCGMIMIY-LLVKDONJSA-N 0 0 335.470 1.608 10 0 EDAERN CCNC(=O)CCOc1c(Br)cc(CO)cc1OC ZINC000051760659 214104290 /nfs/dbraw/zinc/10/42/90/214104290.db2.gz OLBPCDABRDMEHX-UHFFFAOYSA-N 0 0 332.194 1.855 10 0 EDAERN Cc1cc(C(=O)N2CCN(C[C@@H](O)COC(C)(C)C)CC2)c(C)o1 ZINC000052241600 214123157 /nfs/dbraw/zinc/12/31/57/214123157.db2.gz HTAMZGUPBMPBRD-OAHLLOKOSA-N 0 0 338.448 1.830 10 0 EDAERN COCc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000052311296 214125948 /nfs/dbraw/zinc/12/59/48/214125948.db2.gz ONBIPWXAQJSPRU-MRXNPFEDSA-N 0 0 333.432 1.002 10 0 EDAERN Nc1c(-c2cc(Br)c3c(c2)OCCCO3)ncn1N ZINC000052838231 214151048 /nfs/dbraw/zinc/15/10/48/214151048.db2.gz CAQPJTIZYOOIHR-UHFFFAOYSA-N 0 0 325.166 1.770 10 0 EDAERN CCC(CC)(CO)NS(=O)(=O)c1cncc(Br)c1 ZINC000053072479 214162710 /nfs/dbraw/zinc/16/27/10/214162710.db2.gz MAUCKYAFZXIYFY-UHFFFAOYSA-N 0 0 337.239 1.674 10 0 EDAERN COc1ccc(OCCCNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000097728605 219051601 /nfs/dbraw/zinc/05/16/01/219051601.db2.gz FIMFUXAKCUKVNS-CYBMUJFWSA-N 0 0 346.383 1.992 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(N)cc(S(C)(=O)=O)c2)CCS1 ZINC000157196309 529378963 /nfs/dbraw/zinc/37/89/63/529378963.db2.gz KAIFSRIOSUKEAA-GFCCVEGCSA-N 0 0 328.459 1.640 10 0 EDAERN CC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175046482 529389549 /nfs/dbraw/zinc/38/95/49/529389549.db2.gz WYHPZKGRZQSJKB-MCIONIFRSA-N 0 0 341.477 1.580 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cn3nc(C)c(Cl)c3C)CCO2)[nH]1 ZINC000173550185 230968194 /nfs/dbraw/zinc/96/81/94/230968194.db2.gz NDBYAGNVYZEENA-LLVKDONJSA-N 0 0 338.799 1.180 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3cccnc3Cl)CCO2)[nH]1 ZINC000173672999 231002573 /nfs/dbraw/zinc/00/25/73/231002573.db2.gz QVTPCLPZHOVEOU-NSHDSACASA-N 0 0 336.783 1.174 10 0 EDAERN Cc1ccc(O[C@H](C)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173814526 231042018 /nfs/dbraw/zinc/04/20/18/231042018.db2.gz HFCOKORUIGKJMG-JFIYKMOQSA-N 0 0 332.444 1.941 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(Cl)c(N)c2)CCN1C ZINC000164758249 529399987 /nfs/dbraw/zinc/39/99/87/529399987.db2.gz AOZSKLGMRODQSG-LLVKDONJSA-N 0 0 331.869 1.945 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC(C(=O)NC)C1 ZINC000186171706 529400459 /nfs/dbraw/zinc/40/04/59/529400459.db2.gz VPRWWNBEPGJVSX-IUODEOHRSA-N 0 0 331.416 1.036 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(CO)c2F)CCS1 ZINC000158373725 529400452 /nfs/dbraw/zinc/40/04/52/529400452.db2.gz BWUWYUNSACGJBS-SECBINFHSA-N 0 0 337.413 1.973 10 0 EDAERN CSCC[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000050027365 214041000 /nfs/dbraw/zinc/04/10/00/214041000.db2.gz BVZABQIRMYTKCF-TZMCWYRMSA-N 0 0 335.429 1.360 10 0 endogenous,in-man EDAERN CCc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000165564854 529533443 /nfs/dbraw/zinc/53/34/43/529533443.db2.gz UHAMHLMFYVYTRR-LBPRGKRZSA-N 0 0 341.415 1.993 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3csc(C)n3)C2=O)n(C)n1 ZINC000174974018 231357692 /nfs/dbraw/zinc/35/76/92/231357692.db2.gz VDZUZFWJGNAZIP-CYBMUJFWSA-N 0 0 347.444 1.348 10 0 EDAERN O=C(Nc1ccc(-n2cccn2)nc1)N1CCC[C@@H](n2cncn2)C1 ZINC000175044477 231374128 /nfs/dbraw/zinc/37/41/28/231374128.db2.gz JGCRITIKNAZYFM-CQSZACIVSA-N 0 0 338.375 1.728 10 0 EDAERN Cc1cc([C@](C)(O)CNC(=O)N[C@@H]2CCc3ncnn3C2)c(C)o1 ZINC000175110087 231386188 /nfs/dbraw/zinc/38/61/88/231386188.db2.gz ACMAZSVWZYOTQA-MLGOLLRUSA-N 0 0 333.392 1.010 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188020830 529588312 /nfs/dbraw/zinc/58/83/12/529588312.db2.gz OBYRSSKNAAIBOZ-UHFFFAOYSA-N 0 0 329.400 1.315 10 0 EDAERN Cc1nnc2sc(CCNS(=O)(=O)c3cccc(C)c3)nn12 ZINC000049721742 214028821 /nfs/dbraw/zinc/02/88/21/214028821.db2.gz XAUMTATYVATRDG-UHFFFAOYSA-N 0 0 337.430 1.324 10 0 EDAERN Cc1nc2cc(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc2o1 ZINC000049682474 214026973 /nfs/dbraw/zinc/02/69/73/214026973.db2.gz VPJXVKSWPWHYJS-CYBMUJFWSA-N 0 0 336.413 1.714 10 0 EDAERN CN(C(=O)c1nnc(-c2ccccc2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000049685571 214026587 /nfs/dbraw/zinc/02/65/87/214026587.db2.gz AHZNKPJJIMIMQD-SECBINFHSA-N 0 0 339.348 1.135 10 0 EDAERN CCc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173936405 529685482 /nfs/dbraw/zinc/68/54/82/529685482.db2.gz KCNKATDAHUODFI-YJBOKZPZSA-N 0 0 331.460 1.983 10 0 EDAERN CCc1ccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173936394 529684768 /nfs/dbraw/zinc/68/47/68/529684768.db2.gz KCNKATDAHUODFI-QAPCUYQASA-N 0 0 331.460 1.983 10 0 EDAERN O=C(NCC(=O)N1CCCc2ccccc21)N[C@H]1CCCC[C@H]1CO ZINC000176002524 231552868 /nfs/dbraw/zinc/55/28/68/231552868.db2.gz DJBVIYLLOFCZIP-HOTGVXAUSA-N 0 0 345.443 1.816 10 0 EDAERN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1CCO ZINC000059522179 214621411 /nfs/dbraw/zinc/62/14/11/214621411.db2.gz OGXBDZFSAQIJKV-UHFFFAOYSA-N 0 0 336.303 1.443 10 0 EDAERN CN(C)[C@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111080984 282232760 /nfs/dbraw/zinc/23/27/60/282232760.db2.gz AOQLQSCNFNVVGY-IRXDYDNUSA-N 0 0 328.416 1.413 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1 ZINC000181859471 529698862 /nfs/dbraw/zinc/69/88/62/529698862.db2.gz YRIQNNMJYJQDKG-IRXDYDNUSA-N 0 0 349.475 1.860 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000129739109 529700326 /nfs/dbraw/zinc/70/03/26/529700326.db2.gz LCJFOICIDQEXDM-HNNXBMFYSA-N 0 0 329.404 1.000 10 0 EDAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000172556704 529703840 /nfs/dbraw/zinc/70/38/40/529703840.db2.gz FTZRFTHIJVVPEY-ZDUSSCGKSA-N 0 0 335.452 1.614 10 0 EDAERN NC(=S)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000061886958 214682649 /nfs/dbraw/zinc/68/26/49/214682649.db2.gz MUSQUXAOKGOIOP-SFYZADRCSA-N 0 0 342.471 1.424 10 0 EDAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000193969958 295701337 /nfs/dbraw/zinc/70/13/37/295701337.db2.gz FORUHLLXFHOAFR-UWVGGRQHSA-N 0 0 346.836 1.734 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(C2OCCO2)CC1 ZINC000153532398 529750367 /nfs/dbraw/zinc/75/03/67/529750367.db2.gz QNQWQVHMHJMESN-CYBMUJFWSA-N 0 0 349.435 1.470 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(-c3ccc(C)o3)n[nH]1)CC2 ZINC000172255107 529751085 /nfs/dbraw/zinc/75/10/85/529751085.db2.gz OBXATMYUWWBHMG-NSHDSACASA-N 0 0 340.387 1.877 10 0 EDAERN Cc1cc(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2c2ccccc2)no1 ZINC000062279821 214708953 /nfs/dbraw/zinc/70/89/53/214708953.db2.gz WFYVRGJGUPBWGC-ZDUSSCGKSA-N 0 0 342.355 1.233 10 0 EDAERN COc1ccc(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001466693 539340355 /nfs/dbraw/zinc/34/03/55/539340355.db2.gz QJNDSAOYOCKYPN-LBPRGKRZSA-N 0 0 338.363 1.996 10 0 EDAERN CN1CCOc2ccc(NC(=O)N[C@@H]3CCc4ncnn4C3)cc21 ZINC000190248629 529791918 /nfs/dbraw/zinc/79/19/18/529791918.db2.gz XEMWYHUKAZBIAC-GFCCVEGCSA-N 0 0 328.376 1.243 10 0 EDAERN CCOC(=O)CCC(=O)Nc1ccc2c(COC)cc(=O)[nH]c2c1 ZINC000049472789 214009978 /nfs/dbraw/zinc/00/99/78/214009978.db2.gz QLHPHULCEUADDW-UHFFFAOYSA-N 0 0 332.356 1.956 10 0 EDAERN CN(CC(=O)N1CCCC1)C(=O)c1cccc(N)c1Br ZINC000158933364 529827182 /nfs/dbraw/zinc/82/71/82/529827182.db2.gz QNVMBVVQQNCFBM-UHFFFAOYSA-N 0 0 340.221 1.726 10 0 EDAERN CN(CCC1CCOCC1)C(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000134533155 529878430 /nfs/dbraw/zinc/87/84/30/529878430.db2.gz IQHWMTOYFBXSBB-INIZCTEOSA-N 0 0 333.432 1.541 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000159056843 529903030 /nfs/dbraw/zinc/90/30/30/529903030.db2.gz COAIPBLVQJCKCQ-CABCVRRESA-N 0 0 344.415 1.020 10 0 EDAERN COc1ccc(S(=O)(=O)CCNC(=O)c2cccs2)cc1 ZINC000065009818 214822789 /nfs/dbraw/zinc/82/27/89/214822789.db2.gz GXVDXIBODPEPTG-UHFFFAOYSA-N 0 0 325.411 1.960 10 0 EDAERN COc1cccc(NC(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)c1 ZINC000065311236 214868889 /nfs/dbraw/zinc/86/88/89/214868889.db2.gz XZISOBJDVNLXNN-UHFFFAOYSA-N 0 0 328.372 1.634 10 0 EDAERN CCCCS(=O)(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@H]1C ZINC000725271210 539402701 /nfs/dbraw/zinc/40/27/01/539402701.db2.gz ACRFZFWYRZGXOX-DGCLKSJQSA-N 0 0 346.522 1.655 10 0 EDAERN CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171796889 530017875 /nfs/dbraw/zinc/01/78/75/530017875.db2.gz QUXDTCKGSWMLHU-WMZOPIPTSA-N 0 0 340.427 1.988 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC2(O)CCOCC2)[C@@H]1c1ccccc1 ZINC000174816423 530040261 /nfs/dbraw/zinc/04/02/61/530040261.db2.gz RRFMKWIGMGFOOJ-WBVHZDCISA-N 0 0 346.427 1.254 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C)cc1CC ZINC000180180531 539482850 /nfs/dbraw/zinc/48/28/50/539482850.db2.gz PDSGXMLXCLFKTR-OAHLLOKOSA-N 0 0 333.432 1.637 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCn2nc(C)cc2C)C1 ZINC000101770281 219163485 /nfs/dbraw/zinc/16/34/85/219163485.db2.gz RLZWVCJNYXMTBQ-INIZCTEOSA-N 0 0 349.479 1.980 10 0 EDAERN CC(C)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000102172092 219188994 /nfs/dbraw/zinc/18/89/94/219188994.db2.gz AUOMULXMLMKVKO-NSHDSACASA-N 0 0 326.418 1.156 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)c1ccccc1F ZINC000102252626 219191939 /nfs/dbraw/zinc/19/19/39/219191939.db2.gz OZZKLAQCUXDIIB-AWEZNQCLSA-N 0 0 328.409 1.993 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245757632 539596095 /nfs/dbraw/zinc/59/60/95/539596095.db2.gz ZUKFGWGTIJOZBI-XJFOESAGSA-N 0 0 332.466 1.263 10 0 EDAERN O=C(CN1C(=O)c2ccccc2C1=O)NC(=S)NC1CCCC1 ZINC000003070610 209960169 /nfs/dbraw/zinc/96/01/69/209960169.db2.gz IMRUGFVYLWBBGJ-UHFFFAOYSA-N 0 0 331.397 1.216 10 0 EDAERN Cc1nc(C(F)(F)F)nc(N2Cc3cnn(CCO)c3C2)c1C ZINC000067694547 215186936 /nfs/dbraw/zinc/18/69/36/215186936.db2.gz HBPVGIYYRXLSDQ-UHFFFAOYSA-N 0 0 327.310 1.821 10 0 EDAERN O=C(c1cccc(Br)n1)N1CCC[C@H](n2cncn2)C1 ZINC000179495993 233097966 /nfs/dbraw/zinc/09/79/66/233097966.db2.gz YFNSFATVZVIZEU-JTQLQIEISA-N 0 0 336.193 1.913 10 0 EDAERN C[C@@H](CN1c2cc(F)c(Br)cc2C(=O)C1=O)C(N)=O ZINC000042135393 213481636 /nfs/dbraw/zinc/48/16/36/213481636.db2.gz GZWJWQDLZCDPIE-YFKPBYRVSA-N 0 0 329.125 1.239 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 ZINC000103419768 219297486 /nfs/dbraw/zinc/29/74/86/219297486.db2.gz CCOJGBHVRWUGIE-NSHDSACASA-N 0 0 326.418 1.691 10 0 EDAERN COCCS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000041244589 213435053 /nfs/dbraw/zinc/43/50/53/213435053.db2.gz OZKAJKLAJAKAKT-UHFFFAOYSA-N 0 0 340.445 1.037 10 0 EDAERN CN(C)S(=O)(=O)CCC(=O)Nc1ccccc1Br ZINC000041228348 213432495 /nfs/dbraw/zinc/43/24/95/213432495.db2.gz QTTOEMHLYGIXHH-UHFFFAOYSA-N 0 0 335.223 1.669 10 0 EDAERN O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000179840239 233495422 /nfs/dbraw/zinc/49/54/22/233495422.db2.gz NCBFTOPIFDUDIA-CVEARBPZSA-N 0 0 349.818 1.888 10 0 EDAERN CCOC(=O)[C@@](C)(C[C@H](C)SCCS(C)(=O)=O)NC(C)C ZINC000068643566 215324836 /nfs/dbraw/zinc/32/48/36/215324836.db2.gz PCMAIQZSDGGMBX-GXTWGEPZSA-N 0 0 339.523 1.863 10 0 EDAERN C[C@@H]1C(=O)NCCN1C(=O)c1cc(Br)cn1C1CC1 ZINC000104349551 219377983 /nfs/dbraw/zinc/37/79/83/219377983.db2.gz LHWJZYXBMJUQGA-MRVPVSSYSA-N 0 0 326.194 1.546 10 0 EDAERN O=C(c1ccc(-n2cccc2)cc1)N1CCO[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000040666179 213366662 /nfs/dbraw/zinc/36/66/62/213366662.db2.gz JZMDCBZGFIAECT-HOTGVXAUSA-N 0 0 346.408 1.115 10 0 EDAERN COCCNC(=O)N1CC(=O)N2CCc3ccc(Cl)cc3[C@H]2C1 ZINC000040679639 213368507 /nfs/dbraw/zinc/36/85/07/213368507.db2.gz LAMCZNZKMKJKTQ-CQSZACIVSA-N 0 0 337.807 1.437 10 0 EDAERN CN(C)C(=O)c1ccc(/C=C/C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000040647108 213363960 /nfs/dbraw/zinc/36/39/60/213363960.db2.gz DEAJBHXLBNKHQW-VMPITWQZSA-N 0 0 344.411 1.767 10 0 EDAERN NC(=O)c1cnc2ccccc2c1-n1cc(Br)c(N)n1 ZINC000040517039 213331611 /nfs/dbraw/zinc/33/16/11/213331611.db2.gz VDICJAXKEKCQFS-UHFFFAOYSA-N 0 0 332.161 1.864 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cnc(C)nc3C)C2=O)n(C)n1 ZINC000181487156 234203153 /nfs/dbraw/zinc/20/31/53/234203153.db2.gz FQHYKAXXMXMSDY-CQSZACIVSA-N 0 0 342.403 1.061 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181732240 234302258 /nfs/dbraw/zinc/30/22/58/234302258.db2.gz HHNCYYPINPACNJ-NSHDSACASA-N 0 0 339.421 1.300 10 0 EDAERN O=C(CNC(=O)N1CCCC[C@H]1c1nccs1)N1CCOCC1 ZINC000181850334 234350853 /nfs/dbraw/zinc/35/08/53/234350853.db2.gz OBNVPQGCSCHDQS-LBPRGKRZSA-N 0 0 338.433 1.239 10 0 EDAERN O=C(Nc1ccn(Cc2ccccc2)n1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000157847108 539984286 /nfs/dbraw/zinc/98/42/86/539984286.db2.gz PYUNUNZEAQCNPN-CABCVRRESA-N 0 0 342.399 1.290 10 0 EDAERN COCC(=O)N1CCN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000181932404 234384632 /nfs/dbraw/zinc/38/46/32/234384632.db2.gz FTUPDRHZFMUODJ-KSSFIOAISA-N 0 0 345.443 1.729 10 0 EDAERN O=C(/C=C/c1ccncn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000181956753 234393065 /nfs/dbraw/zinc/39/30/65/234393065.db2.gz ADQLKKARRUYTOE-DKFQHHCZSA-N 0 0 338.411 1.368 10 0 EDAERN CC[C@H](NS(=O)(=O)c1cccc(Br)c1)C(N)=S ZINC000040362861 213293078 /nfs/dbraw/zinc/29/30/78/213293078.db2.gz MROCJXNORMNGBP-VIFPVBQESA-N 0 0 337.264 1.792 10 0 EDAERN CN(C(=O)N[C@H]1CCc2ncnn2C1)[C@H]1CCCc2c1cnn2C ZINC000159053800 540002928 /nfs/dbraw/zinc/00/29/28/540002928.db2.gz DAENQQUONHEBHP-AAEUAGOBSA-N 0 0 329.408 1.045 10 0 EDAERN Nc1ccc(S(=O)(=O)NC[C@H]2CCOC2)c(Br)c1 ZINC000040332645 213292592 /nfs/dbraw/zinc/29/25/92/213292592.db2.gz CNPNUCOKRUXWLB-MRVPVSSYSA-N 0 0 335.223 1.346 10 0 EDAERN CC(C)C(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCC1 ZINC000040198331 213280766 /nfs/dbraw/zinc/28/07/66/213280766.db2.gz FAYRUWFOCVQWPW-UHFFFAOYSA-N 0 0 342.443 1.973 10 0 EDAERN COCC(=O)N(C)CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000127909149 222895917 /nfs/dbraw/zinc/89/59/17/222895917.db2.gz LKWOLSCHQXNOIN-OAHLLOKOSA-N 0 0 334.416 1.470 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnn(CC2CC2)c1 ZINC000178130892 540109414 /nfs/dbraw/zinc/10/94/14/540109414.db2.gz HGMCFHOPVCTCJP-ZDUSSCGKSA-N 0 0 345.407 1.688 10 0 EDAERN O=C(c1c[nH]c2ccccc21)N1CSC[C@@H]1C(=O)N1CCCO1 ZINC000183638969 235177434 /nfs/dbraw/zinc/17/74/34/235177434.db2.gz FQTHPDNTXFTVIM-CQSZACIVSA-N 0 0 331.397 1.847 10 0 EDAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)o1 ZINC000181005732 540123091 /nfs/dbraw/zinc/12/30/91/540123091.db2.gz ZBLGDFVUOGMZLS-LLVKDONJSA-N 0 0 339.417 1.668 10 0 EDAERN O=C(CNC(=O)N(Cc1ccccc1)CC(F)F)NCC1CC1 ZINC000183785495 235225943 /nfs/dbraw/zinc/22/59/43/235225943.db2.gz LKKAZNDZDPVXBA-UHFFFAOYSA-N 0 0 325.359 1.990 10 0 EDAERN COc1ccnc(N2CCN(c3nc4cccnc4s3)CC2)n1 ZINC000069705038 215544176 /nfs/dbraw/zinc/54/41/76/215544176.db2.gz ZEMAYBXLPJTTDI-UHFFFAOYSA-N 0 0 328.401 1.817 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1COc2ccccc21)C(=O)NCc1ccco1 ZINC000058574514 138160234 /nfs/dbraw/zinc/16/02/34/138160234.db2.gz STXHNHZGZBXOKX-SMDDNHRTSA-N 0 0 329.356 1.717 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2cccc3ccc(OC)cc32)C1 ZINC000185222002 235618084 /nfs/dbraw/zinc/61/80/84/235618084.db2.gz ZVLHRBDRUKBOFR-UHFFFAOYSA-N 0 0 342.395 1.364 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn(CCC(C)C)nn1 ZINC000088198549 138272081 /nfs/dbraw/zinc/27/20/81/138272081.db2.gz XVIFYSMQLYMHSL-LBPRGKRZSA-N 0 0 331.424 1.743 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccccc1N(C)C ZINC000083755082 138269520 /nfs/dbraw/zinc/26/95/20/138269520.db2.gz SNHRMIBKEXGKLX-ZDUSSCGKSA-N 0 0 342.403 1.242 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CC(=O)NCCOc2c(C)cccc2C)C1 ZINC000080025512 138263389 /nfs/dbraw/zinc/26/33/89/138263389.db2.gz JYPAPDBHHVRCQJ-QGZVFWFLSA-N 0 0 347.459 1.399 10 0 EDAERN C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)cc1Cl ZINC000080376957 138264220 /nfs/dbraw/zinc/26/42/20/138264220.db2.gz UESXYCJFAWNFIV-ZETCQYMHSA-N 0 0 325.731 1.047 10 0 EDAERN Cc1nnnn1-c1cc(NC(=O)N[C@H]2CCCC[C@H]2O)ccc1F ZINC000103292286 138298994 /nfs/dbraw/zinc/29/89/94/138298994.db2.gz MDVRXEFWSHIPEU-GXTWGEPZSA-N 0 0 334.355 1.535 10 0 EDAERN CC(=O)N1CCc2cc(NC(=O)NC[C@@H]3CN(C)CCO3)ccc21 ZINC000105283036 138301117 /nfs/dbraw/zinc/30/11/17/138301117.db2.gz CFNMXTCLHRNAHN-OAHLLOKOSA-N 0 0 332.404 1.048 10 0 EDAERN Cc1ccc(CNC(=O)CN2CCO[C@H](Cn3cccn3)C2)cc1F ZINC000105889665 219582212 /nfs/dbraw/zinc/58/22/12/219582212.db2.gz MUFJSTGGCBXBLD-INIZCTEOSA-N 0 0 346.406 1.348 10 0 EDAERN CC(C)S(=O)(=O)CCCN1CCC(Nc2cccnn2)CC1 ZINC000119999509 138314961 /nfs/dbraw/zinc/31/49/61/138314961.db2.gz VMPBIRIDJPDPOP-UHFFFAOYSA-N 0 0 326.466 1.566 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000109036043 138305637 /nfs/dbraw/zinc/30/56/37/138305637.db2.gz PILSXHVIKIXDEG-SMDDNHRTSA-N 0 0 339.399 1.745 10 0 EDAERN O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CCc2ncnn2C1 ZINC000112653325 138309538 /nfs/dbraw/zinc/30/95/38/138309538.db2.gz ZCUHJMJQTBMBCE-LLVKDONJSA-N 0 0 344.400 1.453 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1cccc(OC)c1)CC2 ZINC000114870221 138310814 /nfs/dbraw/zinc/31/08/14/138310814.db2.gz OPJJGCJLEHNULL-AWEZNQCLSA-N 0 0 328.416 1.913 10 0 EDAERN CCOCCN1CCN(C(=O)C[C@@H]2c3ccccc3NC2=O)C[C@H]1C ZINC000117275752 138312236 /nfs/dbraw/zinc/31/22/36/138312236.db2.gz HCYHDINWBOTRKR-GDBMZVCRSA-N 0 0 345.443 1.682 10 0 EDAERN Cc1cnn(C[C@H]2CN(C[C@H](O)c3c(F)cccc3F)CCO2)c1 ZINC000105892649 219583681 /nfs/dbraw/zinc/58/36/81/219583681.db2.gz BSHAMROCJKYTIB-CJNGLKHVSA-N 0 0 337.370 1.904 10 0 EDAERN COc1ccc(C(=O)NCC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000131926232 138367824 /nfs/dbraw/zinc/36/78/24/138367824.db2.gz MSVVQTRFLZPYOR-UHFFFAOYSA-N 0 0 342.399 1.554 10 0 EDAERN CN1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CCC1=O ZINC000172490772 283240592 /nfs/dbraw/zinc/24/05/92/283240592.db2.gz KKVPPHVCTSPNLO-IIDMSEBBSA-N 0 0 343.427 1.333 10 0 EDAERN C[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1nnc2n1CCCC2 ZINC000135422029 138423923 /nfs/dbraw/zinc/42/39/23/138423923.db2.gz DDILQIUFTCXUAC-LLVKDONJSA-N 0 0 340.387 1.135 10 0 EDAERN COc1cc(C=O)cc(Br)c1OC[C@@H]1CNC(=O)O1 ZINC000036815171 213119621 /nfs/dbraw/zinc/11/96/21/213119621.db2.gz OSTSUSDUCQKOJT-QMMMGPOBSA-N 0 0 330.134 1.757 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000187200696 236144240 /nfs/dbraw/zinc/14/42/40/236144240.db2.gz NWGOERHFUKQQMG-CQSZACIVSA-N 0 0 328.420 1.225 10 0 EDAERN Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)cc1 ZINC000036106900 213069504 /nfs/dbraw/zinc/06/95/04/213069504.db2.gz HJPHMHCWIGEOCB-KRWDZBQOSA-N 0 0 331.460 1.914 10 0 EDAERN CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N1CCOCC1 ZINC000036106680 213068454 /nfs/dbraw/zinc/06/84/54/213068454.db2.gz KPLSJJMQXBYNBE-KRWDZBQOSA-N 0 0 348.443 1.845 10 0 EDAERN O=C(NCCCO[C@H]1CCOC1)N1CCC(Cn2cccn2)CC1 ZINC000127166802 138614496 /nfs/dbraw/zinc/61/44/96/138614496.db2.gz ZMGDBNYTKQBVSA-INIZCTEOSA-N 0 0 336.436 1.500 10 0 EDAERN CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cnccc1Cl ZINC000071204379 215745252 /nfs/dbraw/zinc/74/52/52/215745252.db2.gz GMHRRWUGQDZZQU-UHFFFAOYSA-N 0 0 333.841 1.660 10 0 EDAERN NNc1[nH+]cccc1S(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000035358569 213023744 /nfs/dbraw/zinc/02/37/44/213023744.db2.gz FGQYWSVWOSYZEZ-UHFFFAOYSA-N 0 0 344.194 1.326 10 0 EDAERN Cc1cc(Br)ccc1NC(=O)CSC[C@@H]([NH3+])C(=O)[O-] ZINC000035083046 213006594 /nfs/dbraw/zinc/00/65/94/213006594.db2.gz DWPJVUQJGGUJOL-SECBINFHSA-N 0 0 347.234 1.841 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Br)c1N ZINC000071698080 215796563 /nfs/dbraw/zinc/79/65/63/215796563.db2.gz KFELTRQTJHTKIB-JTQLQIEISA-N 0 0 327.178 1.809 10 0 EDAERN O=C(CCOC1CCOCC1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000175421944 138695425 /nfs/dbraw/zinc/69/54/25/138695425.db2.gz JJZLNWSPCNLBDB-CQSZACIVSA-N 0 0 334.420 1.147 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000174900327 138689091 /nfs/dbraw/zinc/68/90/91/138689091.db2.gz QVRMVOLDOZDBPG-OLZOCXBDSA-N 0 0 328.434 1.324 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000176034636 138703326 /nfs/dbraw/zinc/70/33/26/138703326.db2.gz ZULIVXKGGCROGP-LBPRGKRZSA-N 0 0 330.392 1.152 10 0 EDAERN CCO[C@H](CCNC(=O)N[C@H]1CCc2ncnn2C1)C1CCCC1 ZINC000176381786 138708225 /nfs/dbraw/zinc/70/82/25/138708225.db2.gz SAUQUXOBIFAIPK-LSDHHAIUSA-N 0 0 335.452 1.878 10 0 EDAERN CCCCNC(=O)Cc1noc(CCOc2ccc(C(N)=O)cc2)n1 ZINC000176448431 138709238 /nfs/dbraw/zinc/70/92/38/138709238.db2.gz NIULDTYMPPKOBY-UHFFFAOYSA-N 0 0 346.387 1.249 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)CC2 ZINC000177639197 138732185 /nfs/dbraw/zinc/73/21/85/138732185.db2.gz RRWMSRXEYDBSGS-SECBINFHSA-N 0 0 349.341 1.188 10 0 EDAERN C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC(C)(C)C1 ZINC000180535818 138760046 /nfs/dbraw/zinc/76/00/46/138760046.db2.gz LEYBFLSMICWOBF-BFHYXJOUSA-N 0 0 330.494 1.989 10 0 EDAERN COCc1noc(CN2CCN(C[C@@](C)(O)c3ccccc3)CC2)n1 ZINC000189616860 237074888 /nfs/dbraw/zinc/07/48/88/237074888.db2.gz FDNYSWBTLBCDPN-GOSISDBHSA-N 0 0 346.431 1.241 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000036124313 213071264 /nfs/dbraw/zinc/07/12/64/213071264.db2.gz YAWSHARCGICRMN-OKILXGFUSA-N 0 0 344.452 1.697 10 0 EDAERN CCCS(=O)(=O)NC[C@@]1(O)CCc2cc(OC)c(OC)cc21 ZINC000036137508 213073029 /nfs/dbraw/zinc/07/30/29/213073029.db2.gz YSIQLAREFYIPPQ-HNNXBMFYSA-N 0 0 329.418 1.167 10 0 EDAERN CSCC[C@H](NC(=O)CN(C)C(C)=O)c1nc2ccccc2[nH]1 ZINC000031877128 212755834 /nfs/dbraw/zinc/75/58/34/212755834.db2.gz RXIHXMLLHBNQCJ-AWEZNQCLSA-N 0 0 334.445 1.952 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1ccccc1 ZINC000129439905 223056917 /nfs/dbraw/zinc/05/69/17/223056917.db2.gz HOXWZRCCHMKDPY-ZDUSSCGKSA-N 0 0 336.417 1.379 10 0 EDAERN COCCn1cnc2c(nnc3c(-c4ccccc4)c(C)nn32)c1=O ZINC000072449859 216238494 /nfs/dbraw/zinc/23/84/94/216238494.db2.gz MEOVIBJFYNNIAZ-UHFFFAOYSA-N 0 0 336.355 1.456 10 0 EDAERN Cc1ccc(NCCCNC(=O)N2CC(NC(=O)C3CC3)C2)nc1 ZINC000190253939 238333139 /nfs/dbraw/zinc/33/31/39/238333139.db2.gz GFTIBQXJLGOFIC-UHFFFAOYSA-N 0 0 331.420 1.112 10 0 EDAERN COc1ccccc1OC[C@@H]1SCCN1C(=O)COC(C)=O ZINC000027562105 212565118 /nfs/dbraw/zinc/56/51/18/212565118.db2.gz XWRJIIVUYJZKBZ-HNNXBMFYSA-N 0 0 325.386 1.539 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(F)c2C)C1 ZINC000072618232 216283506 /nfs/dbraw/zinc/28/35/06/216283506.db2.gz PZENPZAKNSNYLB-ZDUSSCGKSA-N 0 0 349.406 1.980 10 0 EDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000187604943 138827973 /nfs/dbraw/zinc/82/79/73/138827973.db2.gz QILUDODRKKIYFJ-NXEZZACHSA-N 0 0 349.357 1.630 10 0 EDAERN C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1C(=O)OC(C)(C)C ZINC000188309653 138837729 /nfs/dbraw/zinc/83/77/29/138837729.db2.gz UMLLNUQXXLYXRK-OCCSQVGLSA-N 0 0 336.436 1.867 10 0 EDAERN COc1ccc(SCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188492177 138843034 /nfs/dbraw/zinc/84/30/34/138843034.db2.gz PVSQDTNPIKCGOL-UHFFFAOYSA-N 0 0 334.441 1.914 10 0 EDAERN O=C(CSCc1cscn1)N1CC(NC(=O)C2CCC2)C1 ZINC000188519300 138843806 /nfs/dbraw/zinc/84/38/06/138843806.db2.gz CUUNGRUVGDYUFV-UHFFFAOYSA-N 0 0 325.459 1.503 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cccc(COC)c1 ZINC000188590596 138845562 /nfs/dbraw/zinc/84/55/62/138845562.db2.gz PMNISRDTKNREKZ-HNNXBMFYSA-N 0 0 344.415 1.765 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2COc3ccccc32)C1 ZINC000189112556 138861449 /nfs/dbraw/zinc/86/14/49/138861449.db2.gz HPWZVBPKXHLZOC-FPMFFAJLSA-N 0 0 329.356 1.843 10 0 EDAERN COc1ccc(CNC(=O)c2c(O)nc3ccc(C)cn3c2=O)cc1 ZINC000226822228 242115017 /nfs/dbraw/zinc/11/50/17/242115017.db2.gz XGWUSJPFKNANRB-UHFFFAOYSA-N 0 0 339.351 1.647 10 0 EDAERN O=C(C1CCCCC1)N(c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000227119996 242121839 /nfs/dbraw/zinc/12/18/39/242121839.db2.gz YEOHHRVMYYWYNK-HZPDHXFCSA-N 0 0 337.441 1.758 10 0 EDAERN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000076099925 216714418 /nfs/dbraw/zinc/71/44/18/216714418.db2.gz XYYOHJKNFPEWBV-SKDRFNHKSA-N 0 0 337.807 1.941 10 0 EDAERN NNc1nnc(SCCC(=O)Nc2ccc(Cl)cc2)n1N ZINC000020922062 212188511 /nfs/dbraw/zinc/18/85/11/212188511.db2.gz FVQSEGHJUFVWHG-UHFFFAOYSA-N 0 0 327.801 1.052 10 0 EDAERN Cc1ccc2cccc(NC(=O)C(=O)N3CCCNC(=O)[C@H]3C)c2n1 ZINC000190670738 138895012 /nfs/dbraw/zinc/89/50/12/138895012.db2.gz SPTZLWCLVRVOFA-GFCCVEGCSA-N 0 0 340.383 1.219 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c(C)c1F ZINC000190994088 138902016 /nfs/dbraw/zinc/90/20/16/138902016.db2.gz JCXZOZPKXJDNCS-SNVBAGLBSA-N 0 0 330.381 1.042 10 0 EDAERN O=C1NC[C@@H](CN2C(=O)C(=O)c3cc(Br)ccc32)O1 ZINC000020254201 212114512 /nfs/dbraw/zinc/11/45/12/212114512.db2.gz BYHPDDVTHJGYAN-ZETCQYMHSA-N 0 0 325.118 1.087 10 0 EDAERN CC[C@H](C)NC(=O)CN1c2cc(Br)ccc2C(=O)C1=O ZINC000019967153 212091220 /nfs/dbraw/zinc/09/12/20/212091220.db2.gz VYXULZJLFRYWBV-QMMMGPOBSA-N 0 0 339.189 1.893 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000193168110 138962781 /nfs/dbraw/zinc/96/27/81/138962781.db2.gz UZIQGTFYTZYERA-AWEZNQCLSA-N 0 0 346.431 1.544 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1c(C)n[nH]c1C ZINC000246828336 284189222 /nfs/dbraw/zinc/18/92/22/284189222.db2.gz XCEYRPGJNMEJJD-RDBSUJKOSA-N 0 0 334.420 1.771 10 0 EDAERN CCOC(=O)[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)cc1 ZINC000194759658 139000158 /nfs/dbraw/zinc/00/01/58/139000158.db2.gz SWHXUQDKBPQIFX-CYBMUJFWSA-N 0 0 335.747 1.458 10 0 EDAERN O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@H]1COc2ccccc21 ZINC000195192633 139009683 /nfs/dbraw/zinc/00/96/83/139009683.db2.gz CFMUOTFNIJZZHS-JTQLQIEISA-N 0 0 326.316 1.037 10 0 EDAERN NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc(Br)cc1 ZINC000049537947 214015859 /nfs/dbraw/zinc/01/58/59/214015859.db2.gz JDQRZSKTDYOLKT-LBPRGKRZSA-N 0 0 325.206 1.972 10 0 EDAERN Cc1csc(CNS(=O)(=O)c2cccc(C(N)=S)c2)n1 ZINC000049534707 214015943 /nfs/dbraw/zinc/01/59/43/214015943.db2.gz AVFGADFZWHXTDR-UHFFFAOYSA-N 0 0 327.456 1.564 10 0 EDAERN Cc1nnc2sc(CCNC(=O)c3ccc4c(c3)OCO4)nn12 ZINC000049721681 214029353 /nfs/dbraw/zinc/02/93/53/214029353.db2.gz PQJZHUCAOGAAQE-UHFFFAOYSA-N 0 0 331.357 1.195 10 0 EDAERN Nc1cc(NC(=O)Cn2cc(Br)ccc2=O)ccc1F ZINC000019273629 212010260 /nfs/dbraw/zinc/01/02/60/212010260.db2.gz HZEFGHFHTVBGTD-UHFFFAOYSA-N 0 0 340.152 1.971 10 0 EDAERN O=C(CN1CC[C@@H](CCO)C1)Nc1ccc(Br)cn1 ZINC000227570416 139022558 /nfs/dbraw/zinc/02/25/58/139022558.db2.gz DTPBNAAZFJRIKY-JTQLQIEISA-N 0 0 328.210 1.487 10 0 EDAERN O=C(CS(=O)(=O)C1CCCC1)N1CCO[C@H](c2nccs2)C1 ZINC000110885547 220075879 /nfs/dbraw/zinc/07/58/79/220075879.db2.gz PAJJAQDXUAOIKP-LBPRGKRZSA-N 0 0 344.458 1.400 10 0 EDAERN COc1ccccc1CC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000110902570 220078061 /nfs/dbraw/zinc/07/80/61/220078061.db2.gz HAHPCGKACQXYNG-QGZVFWFLSA-N 0 0 343.427 1.979 10 0 EDAERN O=C(CCC1CCCC1)NCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111079204 220096856 /nfs/dbraw/zinc/09/68/56/220096856.db2.gz VUUBWQPKZBZXSK-MRXNPFEDSA-N 0 0 348.447 1.197 10 0 EDAERN COc1ccc(CCC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1F ZINC000111078043 220097165 /nfs/dbraw/zinc/09/71/65/220097165.db2.gz XSHRQQNHMWCKDL-HNNXBMFYSA-N 0 0 347.390 1.891 10 0 EDAERN Cc1csc([C@H]2CN([C@@H]3CCN(CC(F)(F)F)C3=O)CCO2)n1 ZINC000111211930 220110001 /nfs/dbraw/zinc/11/00/01/220110001.db2.gz VGOSAWKGUMTJHI-GHMZBOCLSA-N 0 0 349.378 1.988 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@@H](C)C(=O)NC ZINC000081441953 217399045 /nfs/dbraw/zinc/39/90/45/217399045.db2.gz URCAFRMIYCBOPS-SQWLQELKSA-N 0 0 347.459 1.672 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3c(C)noc3C)CCO2)n1 ZINC000111841027 220203892 /nfs/dbraw/zinc/20/38/92/220203892.db2.gz TWTDTTIWEDIEEF-HNNXBMFYSA-N 0 0 347.419 1.715 10 0 EDAERN O=C(NCc1ccccc1)c1cc(N[C@H]2CCS(=O)(=O)C2)ccn1 ZINC000242758131 139070285 /nfs/dbraw/zinc/07/02/85/139070285.db2.gz DKUUHUHGOWOCKV-HNNXBMFYSA-N 0 0 345.424 1.611 10 0 EDAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)c1cccs1 ZINC000245198534 139070949 /nfs/dbraw/zinc/07/09/49/139070949.db2.gz OOEQRDUFNPOHRF-GHMZBOCLSA-N 0 0 332.447 1.671 10 0 EDAERN CCC1(CC)[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)[C@H](C)[C@H]1OC ZINC000245625011 139081444 /nfs/dbraw/zinc/08/14/44/139081444.db2.gz SOSIJFAOJPJADQ-GBJTYRQASA-N 0 0 327.469 1.456 10 0 EDAERN CCN(CC(C)(C)O)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188272383 284439402 /nfs/dbraw/zinc/43/94/02/284439402.db2.gz UDTXASMPBGCXMH-NWDGAFQWSA-N 0 0 332.416 1.953 10 0 EDAERN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000246625953 139115707 /nfs/dbraw/zinc/11/57/07/139115707.db2.gz NYHWYWQLGZIJBQ-VHDGCEQUSA-N 0 0 329.404 1.404 10 0 EDAERN CCO[C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000246789630 139121679 /nfs/dbraw/zinc/12/16/79/139121679.db2.gz AHHIYOGRLPVPMK-NJAFHUGGSA-N 0 0 332.444 1.943 10 0 EDAERN Cn1cc([C@@H]2CC[N@H+](C[C@@H](O)COCc3ccccc3F)C2)cn1 ZINC000246815603 139122839 /nfs/dbraw/zinc/12/28/39/139122839.db2.gz BSWRLWBXQCAPJV-RHSMWYFYSA-N 0 0 333.407 1.926 10 0 EDAERN C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246802301 139122169 /nfs/dbraw/zinc/12/21/69/139122169.db2.gz BFIUTWYQVMHVBI-NVXWUHKLSA-N 0 0 329.444 1.371 10 0 EDAERN CC1(C)COCCN1CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246889914 139125764 /nfs/dbraw/zinc/12/57/64/139125764.db2.gz DRGMHPSKBRRKLT-MAUKXSAKSA-N 0 0 339.480 1.434 10 0 EDAERN C[C@@H](CCCO)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000088480737 217755947 /nfs/dbraw/zinc/75/59/47/217755947.db2.gz TVRAJMMBWFGJGY-RYUDHWBXSA-N 0 0 328.434 1.611 10 0 EDAERN C[C@H](C1CC1)N(C(=O)CN1CCO[C@@H](Cn2cccn2)C1)C1CC1 ZINC000247098771 139135396 /nfs/dbraw/zinc/13/53/96/139135396.db2.gz IDBGZMNDJNGATB-RHSMWYFYSA-N 0 0 332.448 1.373 10 0 EDAERN Cc1ccc(N2CC[C@H](N3CCO[C@@H](Cn4cccn4)C3)C2=O)cc1 ZINC000247118742 139136572 /nfs/dbraw/zinc/13/65/72/139136572.db2.gz YSADIFQMSVSAFS-MSOLQXFVSA-N 0 0 340.427 1.698 10 0 EDAERN Cc1cnn(C[C@H]2CN([C@H](C)C(=O)NCc3cccs3)CCO2)c1 ZINC000247123636 139136735 /nfs/dbraw/zinc/13/67/35/139136735.db2.gz JVWDEIBHUHMRSO-HUUCEWRRSA-N 0 0 348.472 1.659 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000190984350 296260687 /nfs/dbraw/zinc/26/06/87/296260687.db2.gz AOLAONYCMFJKBA-SECBINFHSA-N 0 0 336.335 1.605 10 0 EDAERN O=C(Cn1cncn1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012439350 211381175 /nfs/dbraw/zinc/38/11/75/211381175.db2.gz RINLXDRXYOMUIC-AWEZNQCLSA-N 0 0 343.387 1.152 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCOC(=O)C23CCCC3)cc1 ZINC000012193765 211315928 /nfs/dbraw/zinc/31/59/28/211315928.db2.gz LVBAEEZOIOPPFN-UHFFFAOYSA-N 0 0 325.386 1.556 10 0 EDAERN COC(=O)/C(=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O ZINC000090512549 217934566 /nfs/dbraw/zinc/93/45/66/217934566.db2.gz VBOWSRTYMGLZOV-NTUHNPAUSA-N 0 0 335.312 1.187 10 0 EDAERN CC(C)[NH+](CCNS(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC000012141230 211303984 /nfs/dbraw/zinc/30/39/84/211303984.db2.gz BEGOIDFICHSQKD-UHFFFAOYSA-N 0 0 334.463 1.843 10 0 EDAERN CS(=O)(=O)N1CCC[C@@H](c2nnc(Br)s2)C1 ZINC000011920567 211270586 /nfs/dbraw/zinc/27/05/86/211270586.db2.gz SLUAFHABRQXXTK-ZCFIWIBFSA-N 0 0 326.241 1.440 10 0 EDAERN Cc1ccc2ncccc2c1CNC(=O)C1CCN(CC(N)=O)CC1 ZINC000091817892 218070857 /nfs/dbraw/zinc/07/08/57/218070857.db2.gz HXRFJSVCZUILJI-UHFFFAOYSA-N 0 0 340.427 1.357 10 0 EDAERN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785451 218065755 /nfs/dbraw/zinc/06/57/55/218065755.db2.gz BCOBMOVTHRNKPO-MWLCHTKSSA-N 0 0 346.305 1.185 10 0 EDAERN CCn1cc([C@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)cn1 ZINC000248693472 139171814 /nfs/dbraw/zinc/17/18/14/139171814.db2.gz BFWCERQMCMKJAP-NVXWUHKLSA-N 0 0 335.404 1.447 10 0 EDAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1cccc(Cl)c1Cl ZINC000092228991 218127553 /nfs/dbraw/zinc/12/75/53/218127553.db2.gz DHCOCVNKDXBJQK-JTQLQIEISA-N 0 0 332.187 1.118 10 0 EDAERN COc1ccccc1-c1nc(CN2CCOC[C@H]2C(N)=O)cs1 ZINC000092229543 218127763 /nfs/dbraw/zinc/12/77/63/218127763.db2.gz CBBIZOPRSTVBKB-ZDUSSCGKSA-N 0 0 333.413 1.505 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(Cc3ccc(C(=O)N(C)C)[nH]3)C2)no1 ZINC000092813836 218171685 /nfs/dbraw/zinc/17/16/85/218171685.db2.gz VMWKIVWZUXQXKA-ZDUSSCGKSA-N 0 0 331.420 1.863 10 0 EDAERN COc1ccc(COCCNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000093134768 218195865 /nfs/dbraw/zinc/19/58/65/218195865.db2.gz BTGLGEDXAULPOI-OAHLLOKOSA-N 0 0 345.403 1.638 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccccn1 ZINC000093366659 218219953 /nfs/dbraw/zinc/21/99/53/218219953.db2.gz WOEQBQUSVOUPPR-CQSZACIVSA-N 0 0 342.403 1.411 10 0 EDAERN CNS(=O)(=O)[C@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095076036 218273888 /nfs/dbraw/zinc/27/38/88/218273888.db2.gz KCCLABWPFALDIG-AAEUAGOBSA-N 0 0 348.262 1.946 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2ncccn2)C1 ZINC000095084854 218276402 /nfs/dbraw/zinc/27/64/02/218276402.db2.gz QCHAKKLBWLEFGA-NSHDSACASA-N 0 0 327.406 1.650 10 0 EDAERN Cc1ncc(S(C)(=O)=O)c(N2Cc3cnc(CC(C)C)nc3C2)n1 ZINC000095376282 218308538 /nfs/dbraw/zinc/30/85/38/218308538.db2.gz ULNSXLZNZBKUMQ-UHFFFAOYSA-N 0 0 347.444 1.697 10 0 EDAERN CN[C@@H](C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1)c1cnn(C)c1 ZINC000262044596 139246310 /nfs/dbraw/zinc/24/63/10/139246310.db2.gz GSFHTFAMSKDRGL-IAGOWNOFSA-N 0 0 346.431 1.318 10 0 EDAERN Cc1nn(CCCC(=O)NCc2ccc(F)cc2)c(=O)c2nccn21 ZINC000006750499 210702091 /nfs/dbraw/zinc/70/20/91/210702091.db2.gz LJSWMHLXTPLGRP-UHFFFAOYSA-N 0 0 343.362 1.435 10 0 EDAERN CCCn1c(=O)c2cc(C)ccc2n(CC(=O)N2CCCC2)c1=O ZINC000096318177 218743626 /nfs/dbraw/zinc/74/36/26/218743626.db2.gz AOKOVJLSWOHSCN-UHFFFAOYSA-N 0 0 329.400 1.504 10 0 EDAERN O=S(=O)(c1cccc2c1OCCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000153230840 224077192 /nfs/dbraw/zinc/07/71/92/224077192.db2.gz WZVPGOFZCCUTMG-UHFFFAOYSA-N 0 0 349.412 1.749 10 0 EDAERN COc1ccc(OCCN(C)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177356491 533014808 /nfs/dbraw/zinc/01/48/08/533014808.db2.gz PQZGSJQJFUZRFJ-OAHLLOKOSA-N 0 0 345.403 1.842 10 0 EDAERN CN1CC[NH2+]C[C@H]1c1noc(CN2C(=O)CCc3ccccc32)n1 ZINC000263255300 139331294 /nfs/dbraw/zinc/33/12/94/139331294.db2.gz QKNMPXKMWJZLMP-AWEZNQCLSA-N 0 0 327.388 1.125 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccoc2)ncn1 ZINC000175449863 533051143 /nfs/dbraw/zinc/05/11/43/533051143.db2.gz LBVSSEFINXRRMG-AWEZNQCLSA-N 0 0 329.404 1.829 10 0 EDAERN CCc1nnc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)n1C ZINC000112359724 220312496 /nfs/dbraw/zinc/31/24/96/220312496.db2.gz SLWHBYUZHJTHAA-AWEZNQCLSA-N 0 0 331.395 1.754 10 0 EDAERN CNc1nc(-c2ccnc(C)n2)ncc1I ZINC000159610316 533073208 /nfs/dbraw/zinc/07/32/08/533073208.db2.gz JMYPJENWHJBOCH-UHFFFAOYSA-N 0 0 327.129 1.888 10 0 EDAERN CNc1ncnc(N2CCSC[C@H]2S(C)(=O)=O)c1C(C)C ZINC000157023022 533089545 /nfs/dbraw/zinc/08/95/45/533089545.db2.gz BODIAERRWIOVCY-SNVBAGLBSA-N 0 0 330.479 1.566 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-n2cccc2)c(F)c1 ZINC000112646891 220362914 /nfs/dbraw/zinc/36/29/14/220362914.db2.gz WPQFQUUPDXYBLY-ZDUSSCGKSA-N 0 0 325.347 1.953 10 0 EDAERN CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112647181 220362989 /nfs/dbraw/zinc/36/29/89/220362989.db2.gz OUCPIIWAIQLSOL-AWEZNQCLSA-N 0 0 327.388 1.617 10 0 EDAERN O=C(Cc1coc(-c2cccs2)n1)N[C@@H]1CCc2ncnn2C1 ZINC000112657033 220366760 /nfs/dbraw/zinc/36/67/60/220366760.db2.gz FUUVYJSPWVSXFJ-SNVBAGLBSA-N 0 0 329.385 1.668 10 0 EDAERN O=C(Nc1cccnc1N1CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000112712319 220382984 /nfs/dbraw/zinc/38/29/84/220382984.db2.gz PCFWTZDPPHSHER-LBPRGKRZSA-N 0 0 327.392 1.410 10 0 EDAERN COc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000112712343 220383348 /nfs/dbraw/zinc/38/33/48/220383348.db2.gz VARYXEBBTMQBSY-LBPRGKRZSA-N 0 0 331.376 1.110 10 0 EDAERN CCN(C[C@@H](O)COCc1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000112732292 220389668 /nfs/dbraw/zinc/38/96/68/220389668.db2.gz BCZGLKCJLGKSKW-GOEBONIOSA-N 0 0 329.462 1.319 10 0 EDAERN CCOc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000112742591 220392280 /nfs/dbraw/zinc/39/22/80/220392280.db2.gz ZMPSMMYWUPXOIX-ZDUSSCGKSA-N 0 0 345.403 1.500 10 0 EDAERN Cc1ccc2c(c1)[C@H](N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)[C@@H](C)C2 ZINC000263528017 139346670 /nfs/dbraw/zinc/34/66/70/139346670.db2.gz UYEWTGQDASLBBJ-URLQWDBASA-N 0 0 332.444 1.946 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(-c3ccco3)on1)CC2 ZINC000114868605 220770197 /nfs/dbraw/zinc/77/01/97/220770197.db2.gz RVIULERZLDPDSG-JTQLQIEISA-N 0 0 327.344 1.833 10 0 EDAERN COc1ncc(C)cc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177888544 533204635 /nfs/dbraw/zinc/20/46/35/533204635.db2.gz ACEPZYIAYLTBCS-ZFWWWQNUSA-N 0 0 334.420 1.583 10 0 EDAERN C[C@@H](NC(=O)N[C@H]1CCCOC1)c1ccc(S(C)(=O)=O)cc1 ZINC000171593544 533211162 /nfs/dbraw/zinc/21/11/62/533211162.db2.gz NSUWSZCLFDBFCK-YPMHNXCESA-N 0 0 326.418 1.629 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 ZINC000116899968 221009300 /nfs/dbraw/zinc/00/93/00/221009300.db2.gz KMXIRHPADLNPHM-CQSZACIVSA-N 0 0 335.433 1.391 10 0 EDAERN CCOCCN1CCN(C(=O)CSC[C@@H]2CCCCO2)C[C@H]1C ZINC000117282608 221041578 /nfs/dbraw/zinc/04/15/78/221041578.db2.gz HVNASOPWQOSGKR-CVEARBPZSA-N 0 0 344.521 1.858 10 0 EDAERN COCCN1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000117295523 221047153 /nfs/dbraw/zinc/04/71/53/221047153.db2.gz JRUKVUIQXQKSLG-YVZNUBBCSA-N 0 0 332.400 1.608 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(OC)c(OC)c2)CCN1CCOC ZINC000117302791 221049547 /nfs/dbraw/zinc/04/95/47/221049547.db2.gz OBUYVMCWGHAESR-HNNXBMFYSA-N 0 0 336.432 1.887 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000117521843 221073251 /nfs/dbraw/zinc/07/32/51/221073251.db2.gz ABTLYKGDCUBANQ-CYBMUJFWSA-N 0 0 337.395 1.333 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)c2)CCN1CCOC ZINC000117526512 221074171 /nfs/dbraw/zinc/07/41/71/221074171.db2.gz YCVLPFGZFHVSOM-QGZVFWFLSA-N 0 0 347.459 1.811 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)C[C@H]1C ZINC000117522817 221074295 /nfs/dbraw/zinc/07/42/95/221074295.db2.gz KKZOEKFVIWBMKD-LLVKDONJSA-N 0 0 341.358 1.082 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCN1CCOC ZINC000117526551 221074570 /nfs/dbraw/zinc/07/45/70/221074570.db2.gz FQGOWMKCNQBWIH-HNNXBMFYSA-N 0 0 337.395 1.333 10 0 EDAERN COc1ccc(CCC(=O)NCCn2cc(C)cn2)c(OC)c1OC ZINC000117810074 221091787 /nfs/dbraw/zinc/09/17/87/221091787.db2.gz ZUKSMPYUEGPFOQ-UHFFFAOYSA-N 0 0 347.415 1.966 10 0 EDAERN Cc1cnn(CCNC(=O)c2cn(-c3ccccc3Cl)nn2)c1 ZINC000117808975 221092341 /nfs/dbraw/zinc/09/23/41/221092341.db2.gz FTSRZGBDFVDZMA-UHFFFAOYSA-N 0 0 330.779 1.856 10 0 EDAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000118115914 221121243 /nfs/dbraw/zinc/12/12/43/221121243.db2.gz QBRSNTPBLFWNSQ-NSHDSACASA-N 0 0 325.796 1.034 10 0 EDAERN CC(C)(C)n1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000118669987 221166472 /nfs/dbraw/zinc/16/64/72/221166472.db2.gz UGSABWUFMFZFOP-AWEZNQCLSA-N 0 0 328.420 1.827 10 0 EDAERN Nc1nn2c(nc(O)c(-c3ccccc3Br)c2=O)s1 ZINC000118699948 221171293 /nfs/dbraw/zinc/17/12/93/221171293.db2.gz HFSYKBVHMJLZPD-SSDOTTSWSA-N 0 0 339.174 1.234 10 0 EDAERN CN(C)C(=O)COCC[C@H]1CCOC12CN(Cc1ccncc1)C2 ZINC000248026182 257668085 /nfs/dbraw/zinc/66/80/85/257668085.db2.gz SHYSEPKBPYNNKN-INIZCTEOSA-N 0 0 333.432 1.167 10 0 EDAERN COCCOc1ccc(F)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000131805477 533246453 /nfs/dbraw/zinc/24/64/53/533246453.db2.gz QFCWQSXBOSVCHS-GFCCVEGCSA-N 0 0 349.366 1.579 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@@](C)(C(N)=O)c2ccccc2)CC1 ZINC000179521745 533276010 /nfs/dbraw/zinc/27/60/10/533276010.db2.gz QVBJREGMZSFNPE-PWGQDJSOSA-N 0 0 332.400 1.483 10 0 EDAERN COCCCOc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 ZINC000171581212 533292085 /nfs/dbraw/zinc/29/20/85/533292085.db2.gz IVCRDIAGFXRNOD-OAHLLOKOSA-N 0 0 345.403 1.566 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173935262 533396853 /nfs/dbraw/zinc/39/68/53/533396853.db2.gz ORPYWPIDOJOIFG-OAHLLOKOSA-N 0 0 333.432 1.349 10 0 EDAERN CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC000166653743 533485723 /nfs/dbraw/zinc/48/57/23/533485723.db2.gz LATBYQSGBPIXSV-WDEREUQCSA-N 0 0 343.177 1.463 10 0 EDAERN COc1ccc(CCNC(=O)N[C@@H]2CCCn3ncnc32)cc1F ZINC000177361997 533489067 /nfs/dbraw/zinc/48/90/67/533489067.db2.gz IBYOJOCLZSORFZ-CYBMUJFWSA-N 0 0 333.367 1.803 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000168809626 533548351 /nfs/dbraw/zinc/54/83/51/533548351.db2.gz JJVIMQLXXJTYEO-JOYOIKCWSA-N 0 0 332.183 1.671 10 0 EDAERN Cc1ccn([C@@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)c(=O)c1 ZINC000071513680 132814284 /nfs/dbraw/zinc/81/42/84/132814284.db2.gz IJTDZJGWPBQIMS-LBPRGKRZSA-N 0 0 326.352 1.956 10 0 EDAERN Cc1nc(C)n(Cc2cccc(NC(=O)N3CC(O)(C4CC4)C3)c2)n1 ZINC000333000236 141248668 /nfs/dbraw/zinc/24/86/68/141248668.db2.gz CRIVKMAYVTWFHV-UHFFFAOYSA-N 0 0 341.415 1.932 10 0 EDAERN O=C(N(Cc1cccc(O)c1)CC1CC1)N1CCS(=O)(=O)CC1 ZINC000333008292 141249735 /nfs/dbraw/zinc/24/97/35/141249735.db2.gz FHFJEAOZQXUFIR-UHFFFAOYSA-N 0 0 338.429 1.455 10 0 EDAERN Cc1nnc2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCC4)C3)cn12 ZINC000333011523 141249824 /nfs/dbraw/zinc/24/98/24/141249824.db2.gz BHVHIXJXFDGRBU-HIFRSBDPSA-N 0 0 341.415 1.559 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)C1 ZINC000333070174 141258721 /nfs/dbraw/zinc/25/87/21/141258721.db2.gz ACGIIZDWBTWWDX-VBQJREDUSA-N 0 0 338.452 1.389 10 0 EDAERN CC(C)c1ccc(C(=O)NC[C@H]2CS(=O)(=O)CCO2)c(O)c1 ZINC000333115629 141266633 /nfs/dbraw/zinc/26/66/33/141266633.db2.gz YPYWOPATYWLZNZ-LBPRGKRZSA-N 0 0 327.402 1.059 10 0 EDAERN Cn1cc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c([C@H]2CCOC2)n1 ZINC000333411383 141313753 /nfs/dbraw/zinc/31/37/53/141313753.db2.gz GYTSWQIAVVFSJC-IINYFYTJSA-N 0 0 347.337 1.453 10 0 EDAERN O=C(NCCN1CCc2ccccc2C1=O)NC[C@@H]1CCSC1 ZINC000333471535 141322895 /nfs/dbraw/zinc/32/28/95/141322895.db2.gz WHAXGIXKQQHXKT-ZDUSSCGKSA-N 0 0 333.457 1.737 10 0 EDAERN CC[C@H]1CN(C(=O)N[C@H]2CCO[C@@H]2c2cnn(CC)c2)C[C@@H](C)O1 ZINC000333767917 141377274 /nfs/dbraw/zinc/37/72/74/141377274.db2.gz XEWXLRBBUUXMNB-SYAUCNOPSA-N 0 0 336.436 1.942 10 0 EDAERN Cc1ccc(OC(=O)[C@H](O)[C@@H](O)C(=O)Oc2ccc(C)cc2)cc1 ZINC000034085159 292166027 /nfs/dbraw/zinc/16/60/27/292166027.db2.gz HZBOQOXQPRQKTF-HZPDHXFCSA-N 0 0 330.336 1.536 10 0 EDAERN CC(=O)N1CCOC[C@H]1C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000371584046 156016492 /nfs/dbraw/zinc/01/64/92/156016492.db2.gz PVCHQZZTBQIKLU-INIZCTEOSA-N 0 0 328.372 1.367 10 0 EDAERN C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000053502997 287225075 /nfs/dbraw/zinc/22/50/75/287225075.db2.gz LMEGLUKWBMAJLI-SNVBAGLBSA-N 0 0 339.442 1.956 10 0 EDAERN CN(C)C(=O)CN(C)C[C@H](O)COc1cccc(Br)c1 ZINC000053401552 287225229 /nfs/dbraw/zinc/22/52/29/287225229.db2.gz AWMXXTGIWPXPOW-LBPRGKRZSA-N 0 0 345.237 1.209 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccnc(OC)c1 ZINC000073591369 287261428 /nfs/dbraw/zinc/26/14/28/287261428.db2.gz XYFVTTXMCCNWHO-CQSZACIVSA-N 0 0 334.420 1.633 10 0 EDAERN C[C@@H]1C(=O)C[C@@H]1c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000158483756 225024671 /nfs/dbraw/zinc/02/46/71/225024671.db2.gz KYHBILRMTVIWED-CABZTGNLSA-N 0 0 331.415 1.105 10 0 EDAERN C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000159097217 225145613 /nfs/dbraw/zinc/14/56/13/225145613.db2.gz GHFFVDZZCOHGHW-VHSXEESVSA-N 0 0 329.809 1.786 10 0 EDAERN Cc1ccccc1-c1c(Cl)[nH]c(=O)n(CC[S@@](C)=O)c1=O ZINC000159678388 225259447 /nfs/dbraw/zinc/25/94/47/225259447.db2.gz PEGPWRNHJZNBRC-NRFANRHFSA-N 0 0 326.805 1.544 10 0 EDAERN O=c1c(Br)c(Cl)ncn1Cc1nc(C2CC2)no1 ZINC000164858167 226101281 /nfs/dbraw/zinc/10/12/81/226101281.db2.gz RFYJFIAYDJZWNW-UHFFFAOYSA-N 0 0 331.557 1.968 10 0 EDAERN O=C(CCOc1cccc(Br)c1)N1CCO[C@@H](CO)C1 ZINC000167519484 226192206 /nfs/dbraw/zinc/19/22/06/226192206.db2.gz FFXHEIRJFCWPAG-CYBMUJFWSA-N 0 0 344.205 1.438 10 0 EDAERN C[C@H]1C[C@@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165100806 226110465 /nfs/dbraw/zinc/11/04/65/226110465.db2.gz NSKVKRHEQMTTSM-JGVFFNPUSA-N 0 0 334.800 1.855 10 0 EDAERN O=C(Nc1nnns1)c1csc(I)c1 ZINC000166372846 226156678 /nfs/dbraw/zinc/15/66/78/226156678.db2.gz WEQGAAMZXHUMHU-UHFFFAOYSA-N 0 0 338.155 1.852 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CCS1 ZINC000171469701 227098090 /nfs/dbraw/zinc/09/80/90/227098090.db2.gz SZPXCASPEZEFGR-NSHDSACASA-N 0 0 331.401 1.170 10 0 EDAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)co1 ZINC000120423365 221574374 /nfs/dbraw/zinc/57/43/74/221574374.db2.gz WXRUVYNGMQBSTG-STQMWFEESA-N 0 0 342.417 1.314 10 0 EDAERN Cc1nc(C[C@H]2CCCN(CC(=O)N(C)Cc3ccco3)C2)no1 ZINC000171503754 227114653 /nfs/dbraw/zinc/11/46/53/227114653.db2.gz HAGDXLBUQPBXFC-CQSZACIVSA-N 0 0 332.404 1.884 10 0 EDAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123160070 222226448 /nfs/dbraw/zinc/22/64/48/222226448.db2.gz JZYLYMCGILCQDF-HOTGVXAUSA-N 0 0 331.416 1.852 10 0 EDAERN Cc1ccccc1CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171816851 227297361 /nfs/dbraw/zinc/29/73/61/227297361.db2.gz HYWULLSEKXXERQ-KRWDZBQOSA-N 0 0 328.416 1.845 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)Nc2nnc(C(F)F)s2)C[C@H]1C ZINC000181765043 533682587 /nfs/dbraw/zinc/68/25/87/533682587.db2.gz QEWRONXDFOJHQW-HTQZYQBOSA-N 0 0 335.380 1.395 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3snnc3C(C)(C)C)CCO2)c1 ZINC000191955964 272983043 /nfs/dbraw/zinc/98/30/43/272983043.db2.gz DACRAGKXEBVVOK-GFCCVEGCSA-N 0 0 349.460 1.882 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCc1ccc(OC)c(F)c1)C(C)C ZINC000178417931 267562459 /nfs/dbraw/zinc/56/24/59/267562459.db2.gz ZRVYHPRSZGHUPI-CQSZACIVSA-N 0 0 325.384 1.447 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 ZINC000106397498 272920836 /nfs/dbraw/zinc/92/08/36/272920836.db2.gz GAPWEYYZIVEHCZ-INIZCTEOSA-N 0 0 333.432 1.482 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000183732885 272944970 /nfs/dbraw/zinc/94/49/70/272944970.db2.gz HIFWRTFLEDGHKD-UHFFFAOYSA-N 0 0 340.383 1.771 10 0 EDAERN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NCC(=O)NCC1CC1 ZINC000183798701 272945062 /nfs/dbraw/zinc/94/50/62/272945062.db2.gz IGAUIMSEGJXTOA-ZIAGYGMSSA-N 0 0 325.453 1.748 10 0 EDAERN COc1ccccc1N1CC[C@@H](N2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246149707 274160061 /nfs/dbraw/zinc/16/00/61/274160061.db2.gz BYBFORQPUDYVIS-NVXWUHKLSA-N 0 0 345.443 1.207 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000177983657 274861563 /nfs/dbraw/zinc/86/15/63/274861563.db2.gz YSJFGXDNBRUXIY-HNNXBMFYSA-N 0 0 330.363 1.960 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000184736218 276444073 /nfs/dbraw/zinc/44/40/73/276444073.db2.gz ZIVFCIVIQWOACC-UONOGXRCSA-N 0 0 345.447 1.722 10 0 EDAERN CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000131341415 279575349 /nfs/dbraw/zinc/57/53/49/279575349.db2.gz NCRIMGFZOJUJGB-IAGOWNOFSA-N 0 0 335.492 1.872 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCC2(OC)CCCCC2)CC1 ZINC000185922198 280204016 /nfs/dbraw/zinc/20/40/16/280204016.db2.gz XHSZYOOAIUELBS-OAHLLOKOSA-N 0 0 327.469 1.434 10 0 EDAERN CC[C@@H]1CN(C(=O)c2c(OC)cccc2OC)CCN1C[C@@H](C)O ZINC000120397216 280381263 /nfs/dbraw/zinc/38/12/63/280381263.db2.gz WLUSCIZQFSHOGW-ZIAGYGMSSA-N 0 0 336.432 1.621 10 0 EDAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCCC(=O)N3)CC2)nc1 ZINC000194186069 280863499 /nfs/dbraw/zinc/86/34/99/280863499.db2.gz FDSCHIOLEGMEIE-HNNXBMFYSA-N 0 0 330.432 1.534 10 0 EDAERN COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193417303 295382530 /nfs/dbraw/zinc/38/25/30/295382530.db2.gz UNBKBSLHCFFADR-DJIMGWMZSA-N 0 0 348.443 1.880 10 0 EDAERN CCCn1ncc(Br)c1[C@H](O)C(C)(C)S(C)(=O)=O ZINC000158868396 528879094 /nfs/dbraw/zinc/87/90/94/528879094.db2.gz PTMUUBQTTMMFKD-JTQLQIEISA-N 0 0 339.255 1.912 10 0 EDAERN COc1ccccc1CN1C[C@@H](C(=O)NCc2cccnc2)CC1=O ZINC000000219826 440808712 /nfs/dbraw/zinc/80/87/12/440808712.db2.gz CMEJXANGFCABSU-INIZCTEOSA-N 0 0 339.395 1.755 10 0 EDAERN COc1cccc(NC(=O)Cn2c3cnnn3c3ccccc3c2=O)c1 ZINC000002957591 440884537 /nfs/dbraw/zinc/88/45/37/440884537.db2.gz OMFMDBTUIKZJRR-UHFFFAOYSA-N 0 0 349.350 1.692 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccc(F)c(F)c1 ZINC000044761447 440885175 /nfs/dbraw/zinc/88/51/75/440885175.db2.gz QJGVYDUVFDZRPN-MRVPVSSYSA-N 0 0 343.355 1.442 10 0 EDAERN CSc1c(Cl)nc(N2CCOCC2)nc1N1CCN(C)CC1 ZINC000005966556 440975919 /nfs/dbraw/zinc/97/59/19/440975919.db2.gz ZAYJPDOJULPTEJ-UHFFFAOYSA-N 0 0 343.884 1.440 10 0 EDAERN O=S(=O)(Nc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000005889426 440972922 /nfs/dbraw/zinc/97/29/22/440972922.db2.gz PIUAQTVNPKEUKR-SSDOTTSWSA-N 0 0 344.241 1.922 10 0 EDAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)cn1 ZINC000071066169 441137731 /nfs/dbraw/zinc/13/77/31/441137731.db2.gz PBZRTZVFMDFYMU-GXTWGEPZSA-N 0 0 334.420 1.550 10 0 EDAERN CNC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 ZINC000058142392 441152973 /nfs/dbraw/zinc/15/29/73/441152973.db2.gz ZPSVSIJAACTBIL-HNNXBMFYSA-N 0 0 340.383 1.264 10 0 EDAERN Cc1cccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1C ZINC000015613530 441206729 /nfs/dbraw/zinc/20/67/29/441206729.db2.gz IJJFVAACRBIWFZ-UHFFFAOYSA-N 0 0 348.424 1.646 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C1CCCCC1 ZINC000017357041 441241960 /nfs/dbraw/zinc/24/19/60/441241960.db2.gz ZZDMYBQNDFMVEJ-LBPRGKRZSA-N 0 0 349.456 1.905 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)NCCCc2ccccc2)cn1 ZINC000104899735 441220549 /nfs/dbraw/zinc/22/05/49/441220549.db2.gz VNSQETCXPJBAMY-QGZVFWFLSA-N 0 0 340.427 1.833 10 0 EDAERN COCC(=O)N1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000047997094 441248192 /nfs/dbraw/zinc/24/81/92/441248192.db2.gz OVECSNHDXVANPK-GJZGRUSLSA-N 0 0 333.432 1.043 10 0 EDAERN CC1CCN(C(=O)CN2CCC(N(C)c3cccnn3)CC2)CC1 ZINC000105806345 441274364 /nfs/dbraw/zinc/27/43/64/441274364.db2.gz SDYBNOZQZYXZCW-UHFFFAOYSA-N 0 0 331.464 1.636 10 0 EDAERN Cc1noc(C)c1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817037 441276731 /nfs/dbraw/zinc/27/67/31/441276731.db2.gz GEYOKVAHJVJEMA-INIZCTEOSA-N 0 0 329.400 1.783 10 0 EDAERN COCCN1CCN(CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000105832238 441285829 /nfs/dbraw/zinc/28/58/29/441285829.db2.gz XEYUJXPBFMYFTD-CYBMUJFWSA-N 0 0 325.840 1.931 10 0 EDAERN COCCN1CCN(CC(=O)Nc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000105832093 441286257 /nfs/dbraw/zinc/28/62/57/441286257.db2.gz ZEIAJXBHBAKXNV-AWEZNQCLSA-N 0 0 333.432 1.480 10 0 EDAERN CC[C@H](C(N)=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865635 441296271 /nfs/dbraw/zinc/29/62/71/441296271.db2.gz OQWAKLXWWVJJQK-QGZVFWFLSA-N 0 0 327.432 1.254 10 0 EDAERN COc1ccc(NC(=O)CCN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000106189411 441327753 /nfs/dbraw/zinc/32/77/53/441327753.db2.gz NCOFMDAXUXQKSP-KRWDZBQOSA-N 0 0 344.415 1.621 10 0 EDAERN CC[C@H](NC(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1)C(=O)OC ZINC000073658887 441340088 /nfs/dbraw/zinc/34/00/88/441340088.db2.gz GRJIAMXQEHERBG-GJZGRUSLSA-N 0 0 348.399 1.163 10 0 EDAERN C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)NCc1ccco1 ZINC000106434666 441343454 /nfs/dbraw/zinc/34/34/54/441343454.db2.gz XQSBFLYMSLFHBT-YOEHRIQHSA-N 0 0 343.427 1.573 10 0 EDAERN CCN(CC)C(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865848 441296696 /nfs/dbraw/zinc/29/66/96/441296696.db2.gz HWMYRZRIBYLWTC-MRXNPFEDSA-N 0 0 335.496 1.411 10 0 EDAERN Cc1ccc(CNC(=O)CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105888482 441307667 /nfs/dbraw/zinc/30/76/67/441307667.db2.gz PEDLBNIHKVGOOQ-KRWDZBQOSA-N 0 0 328.416 1.209 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3cccc(F)c3)CCO2)n1 ZINC000105893139 441309921 /nfs/dbraw/zinc/30/99/21/441309921.db2.gz PAUZYAYLVNBOKY-KRWDZBQOSA-N 0 0 346.406 1.979 10 0 EDAERN Cc1noc(C)c1CCNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000107272671 441406290 /nfs/dbraw/zinc/40/62/90/441406290.db2.gz NVFRGNMCQYSDSJ-HNNXBMFYSA-N 0 0 330.388 1.230 10 0 EDAERN NS(=O)(=O)c1sc(S(=O)(=O)c2ccccc2)cc1Cl ZINC000028021827 441423586 /nfs/dbraw/zinc/42/35/86/441423586.db2.gz CWGBDPYVPNDCTN-UHFFFAOYSA-N 0 0 337.831 1.882 10 0 EDAERN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1Br ZINC000028878834 441439047 /nfs/dbraw/zinc/43/90/47/441439047.db2.gz XNODORHFKXGHNM-IUCAKERBSA-N 0 0 328.210 1.944 10 0 EDAERN COCCn1c(C)cc(C(=O)CN2CCC[C@@H](NC(C)=O)C2)c1C ZINC000085786911 441449975 /nfs/dbraw/zinc/44/99/75/441449975.db2.gz RQVOOUHHRXVENS-MRXNPFEDSA-N 0 0 335.448 1.535 10 0 EDAERN CN(CC(=O)N1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081797 441487082 /nfs/dbraw/zinc/48/70/82/441487082.db2.gz AKGLNNUPWJXQPF-OLZOCXBDSA-N 0 0 338.354 1.386 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)c1ccco1 ZINC000088198563 441495792 /nfs/dbraw/zinc/49/57/92/441495792.db2.gz BHTFYNQBBMTEOX-LLVKDONJSA-N 0 0 331.376 1.205 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085989474 441456386 /nfs/dbraw/zinc/45/63/86/441456386.db2.gz MAHRHIQCYKQVBS-UWVGGRQHSA-N 0 0 333.431 1.364 10 0 EDAERN CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2ccncc21 ZINC000089220387 441529122 /nfs/dbraw/zinc/52/91/22/441529122.db2.gz OXOLAPNZODFJJE-UHFFFAOYSA-N 0 0 346.368 1.245 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000109653931 441502790 /nfs/dbraw/zinc/50/27/90/441502790.db2.gz QANJJGOGDNWNRA-UHFFFAOYSA-N 0 0 342.399 1.603 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(C=O)cc1 ZINC000088280991 441503603 /nfs/dbraw/zinc/50/36/03/441503603.db2.gz GCXYUOALRDMPLF-AWEZNQCLSA-N 0 0 328.372 1.683 10 0 EDAERN COC(=O)CC[C@@H](C(=O)OC)N1Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000035839949 441604501 /nfs/dbraw/zinc/60/45/01/441604501.db2.gz RBMYJAZPAMNDAW-LBPRGKRZSA-N 0 0 336.300 1.045 10 0 EDAERN COC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O ZINC000039093826 441616481 /nfs/dbraw/zinc/61/64/81/441616481.db2.gz KKFKHKUGFFPWPK-SNVBAGLBSA-N 0 0 348.355 1.996 10 0 EDAERN O=S1(=O)CCN2C=CC=C(c3ccc(-n4cccn4)cc3)C2=N1 ZINC000114258289 441643806 /nfs/dbraw/zinc/64/38/06/441643806.db2.gz FCUBOUIPZMAMET-UHFFFAOYSA-N 0 0 326.381 1.827 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)CC2 ZINC000114865878 441692905 /nfs/dbraw/zinc/69/29/05/441692905.db2.gz LXVZSAQUUOCOIH-SNVBAGLBSA-N 0 0 339.321 1.999 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccnc(-n3ccnc3)c1)CC2 ZINC000114865412 441693082 /nfs/dbraw/zinc/69/30/82/441693082.db2.gz OPASJCFKAUXLRW-ZDUSSCGKSA-N 0 0 337.387 1.166 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)CC2 ZINC000114864821 441693120 /nfs/dbraw/zinc/69/31/20/441693120.db2.gz YHWNYPGJLUMMPW-LBPRGKRZSA-N 0 0 329.404 1.733 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NC(=O)c1cccs1)CC2 ZINC000114863122 441693228 /nfs/dbraw/zinc/69/32/28/441693228.db2.gz URXNYTHWNOIBFX-WDEREUQCSA-N 0 0 347.444 1.152 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)CC2 ZINC000114868473 441693940 /nfs/dbraw/zinc/69/39/40/441693940.db2.gz QVGGHUYPCDOMPW-CQSZACIVSA-N 0 0 347.463 1.166 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)s1)CC2 ZINC000114874312 441694580 /nfs/dbraw/zinc/69/45/80/441694580.db2.gz PCEOUBRNIPILDO-MRVPVSSYSA-N 0 0 346.865 1.849 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N(C)CCS(C)(=O)=O ZINC000173337432 441718316 /nfs/dbraw/zinc/71/83/16/441718316.db2.gz NPTGHMJXVYFCPA-ZDUSSCGKSA-N 0 0 328.434 1.278 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000173315649 441710740 /nfs/dbraw/zinc/71/07/40/441710740.db2.gz PGSXUNLUZMALNW-LLVKDONJSA-N 0 0 326.418 1.596 10 0 EDAERN O=C(NCCCc1ccccc1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121490483 441716091 /nfs/dbraw/zinc/71/60/91/441716091.db2.gz RUCXKYOLLBFIFV-FXAWDEMLSA-N 0 0 344.455 1.889 10 0 EDAERN O=C(c1cccc(-n2cncn2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000115380479 441732678 /nfs/dbraw/zinc/73/26/78/441732678.db2.gz LXMZTDNBESVGJH-MRXNPFEDSA-N 0 0 338.371 1.005 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc[nH]c2=O)ncn1 ZINC000173425668 441745113 /nfs/dbraw/zinc/74/51/13/441745113.db2.gz PIGQDZVFEUCKSG-NSHDSACASA-N 0 0 328.376 1.018 10 0 EDAERN Cc1noc([C@H]2COCCN2Cc2cnn(-c3ccccc3)n2)n1 ZINC000158532525 441745529 /nfs/dbraw/zinc/74/55/29/441745529.db2.gz OQGCLJFIVXTDMR-OAHLLOKOSA-N 0 0 326.360 1.532 10 0 EDAERN CO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000158572387 441746487 /nfs/dbraw/zinc/74/64/87/441746487.db2.gz VPOHUWDXLIYZGJ-INWMFGNUSA-N 0 0 334.416 2.000 10 0 EDAERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000077138926 441721674 /nfs/dbraw/zinc/72/16/74/441721674.db2.gz VZSMPXNXPAAKPH-QWRGUYRKSA-N 0 0 344.408 1.325 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@H](C)COCc2ccccc2)n(C)n1 ZINC000173531365 441780978 /nfs/dbraw/zinc/78/09/78/441780978.db2.gz JHLIARATTGVMME-CYBMUJFWSA-N 0 0 330.388 1.389 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCc3cccc4c3OCO4)C2)cn1 ZINC000116420789 441820263 /nfs/dbraw/zinc/82/02/63/441820263.db2.gz HESHNBMAICUSKU-ZDUSSCGKSA-N 0 0 328.372 1.848 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Cc3cccc(OC)c3)CCO2)[nH]1 ZINC000173563236 441792480 /nfs/dbraw/zinc/79/24/80/441792480.db2.gz HGFREZIQCRFVOX-CQSZACIVSA-N 0 0 330.388 1.518 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)[C@H]3CC(c4ccccc4)=NO3)CCO2)[nH]1 ZINC000173600863 441801967 /nfs/dbraw/zinc/80/19/67/441801967.db2.gz YABYKTRMGUIDQV-HUUCEWRRSA-N 0 0 341.371 1.206 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173600439 441802251 /nfs/dbraw/zinc/80/22/51/441802251.db2.gz GQICMIHBNAPRFD-LBPRGKRZSA-N 0 0 349.778 1.305 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)NC3CCCCC3)C2)cn1 ZINC000116230630 441803311 /nfs/dbraw/zinc/80/33/11/441803311.db2.gz ZLNYDGDVRAPEPD-CYBMUJFWSA-N 0 0 333.436 1.368 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)NCCCc3ccccc3)C2)cn1 ZINC000116227743 441803474 /nfs/dbraw/zinc/80/34/74/441803474.db2.gz AZUNLEWCLNRQAV-MRXNPFEDSA-N 0 0 340.427 1.485 10 0 EDAERN CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173934063 441865037 /nfs/dbraw/zinc/86/50/37/441865037.db2.gz DKDLJUCMOBASQZ-LJQANCHMSA-N 0 0 345.487 1.830 10 0 EDAERN O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173933752 441865162 /nfs/dbraw/zinc/86/51/62/441865162.db2.gz FKMZHWAGKCHHHU-HOTGVXAUSA-N 0 0 340.851 1.486 10 0 EDAERN O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173933740 441865398 /nfs/dbraw/zinc/86/53/98/441865398.db2.gz FKMZHWAGKCHHHU-JKSUJKDBSA-N 0 0 340.851 1.486 10 0 EDAERN Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173940583 441865642 /nfs/dbraw/zinc/86/56/42/441865642.db2.gz WJQNXPUBXOUQOE-GOSISDBHSA-N 0 0 331.460 1.360 10 0 EDAERN COCCN(C)S(=O)(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173966116 441869926 /nfs/dbraw/zinc/86/99/26/441869926.db2.gz JBDWOFFUFQGOSO-ZDUSSCGKSA-N 0 0 338.433 1.346 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3cc(C(=O)OC)c(C)o3)CCO2)[nH]1 ZINC000173686818 441824089 /nfs/dbraw/zinc/82/40/89/441824089.db2.gz WATVJFYMCYMTIX-CYBMUJFWSA-N 0 0 334.376 1.629 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)Nc1cccnc1N1CCOCC1 ZINC000077691176 441831799 /nfs/dbraw/zinc/83/17/99/441831799.db2.gz CWHVEVVDPNPHJD-UKRRQHHQSA-N 0 0 334.420 1.591 10 0 EDAERN COc1cccc(CS(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173984642 441873268 /nfs/dbraw/zinc/87/32/68/441873268.db2.gz LUXSZKLNWSPIPN-AWEZNQCLSA-N 0 0 336.417 1.454 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC4)C2)cn1 ZINC000116586903 441831934 /nfs/dbraw/zinc/83/19/34/441831934.db2.gz RLXHTYOSSKCNEO-OAHLLOKOSA-N 0 0 338.411 1.863 10 0 EDAERN COc1ccc(C)cc1CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173791093 441840326 /nfs/dbraw/zinc/84/03/26/441840326.db2.gz AYRAXUTZFUDNLH-QGZVFWFLSA-N 0 0 347.459 1.662 10 0 EDAERN Cc1ccc(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000173794220 441841659 /nfs/dbraw/zinc/84/16/59/441841659.db2.gz CVOGIMNMIQZIPV-GOSISDBHSA-N 0 0 331.460 1.962 10 0 EDAERN Cc1ccc(C)c(OCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173813110 441843957 /nfs/dbraw/zinc/84/39/57/441843957.db2.gz ZJBRALLSCUEINL-IAGOWNOFSA-N 0 0 332.444 1.861 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3ccncc3)CC2)no1 ZINC000173992461 441874203 /nfs/dbraw/zinc/87/42/03/441874203.db2.gz MGFVUHSTYAVJBZ-UHFFFAOYSA-N 0 0 330.392 1.191 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC(CC(N)=O)CC1 ZINC000174139245 441892438 /nfs/dbraw/zinc/89/24/38/441892438.db2.gz HMUFGGHSIAXYIU-CQSZACIVSA-N 0 0 333.432 1.889 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCc2cccc(OCCN3CCOCC3)c2)O1 ZINC000150914276 441974299 /nfs/dbraw/zinc/97/42/99/441974299.db2.gz AOXURMMFNYDNFY-CRAIPNDOSA-N 0 0 348.443 1.581 10 0 EDAERN COc1ncccc1NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000124488813 441932128 /nfs/dbraw/zinc/93/21/28/441932128.db2.gz UWBFVTMPVUWFFS-UHFFFAOYSA-N 0 0 328.376 1.989 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000124666341 441943755 /nfs/dbraw/zinc/94/37/55/441943755.db2.gz CMUCBLQLNMVVRE-CQSZACIVSA-N 0 0 332.404 1.439 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000150777578 441948160 /nfs/dbraw/zinc/94/81/60/441948160.db2.gz AQZYSXNUYWKBSE-UHFFFAOYSA-N 0 0 331.420 1.551 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)O1 ZINC000150795749 441952191 /nfs/dbraw/zinc/95/21/91/441952191.db2.gz MTSHTJXDKKZRSZ-CJNGLKHVSA-N 0 0 331.416 1.580 10 0 EDAERN COc1ccc2cc(NC(=O)NC[C@@H]3CN(C)CCO3)ccc2n1 ZINC000150840779 441961059 /nfs/dbraw/zinc/96/10/59/441961059.db2.gz UPBMQMKAGOFVMR-CQSZACIVSA-N 0 0 330.388 1.696 10 0 EDAERN CCCCO[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991844 441991249 /nfs/dbraw/zinc/99/12/49/441991249.db2.gz IQRIZILNXWXBAV-KGLIPLIRSA-N 0 0 336.436 1.545 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NCCCC(C)C)C2=O)n(C)n1 ZINC000174909816 441982803 /nfs/dbraw/zinc/98/28/03/441982803.db2.gz LKHHNRORJPVDOS-AWEZNQCLSA-N 0 0 335.452 1.959 10 0 EDAERN Cc1cc(NC(=O)NC[C@H]2CN(C)CCO2)ccc1C(=O)NC(C)C ZINC000150971025 441983363 /nfs/dbraw/zinc/98/33/63/441983363.db2.gz WPRNNVATCCZPHN-HNNXBMFYSA-N 0 0 348.447 1.585 10 0 EDAERN NC(=O)N[C@H](CC(=O)N[C@H]1CCCC[C@@H]1CO)c1cccs1 ZINC000150997513 441987667 /nfs/dbraw/zinc/98/76/67/441987667.db2.gz HMEMHDNOJXSLRC-GRYCIOLGSA-N 0 0 325.434 1.515 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCc2ccccc2OCCN2CCOCC2)O1 ZINC000151001903 441989437 /nfs/dbraw/zinc/98/94/37/441989437.db2.gz WKJDZPWDCLPICC-CRAIPNDOSA-N 0 0 348.443 1.581 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000151085903 442002884 /nfs/dbraw/zinc/00/28/84/442002884.db2.gz CLLNCHHDUNMNSH-LBPRGKRZSA-N 0 0 331.424 1.639 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@H](C)CN1CCOCC1 ZINC000175109885 442006416 /nfs/dbraw/zinc/00/64/16/442006416.db2.gz YZOGJFQEYCEKNO-HZPDHXFCSA-N 0 0 335.448 1.612 10 0 EDAERN Cc1nn(C)c2nc(C)cc(C(=O)NCCc3nncn3C(C)C)c12 ZINC000069705633 442017877 /nfs/dbraw/zinc/01/78/77/442017877.db2.gz AYKRMYPKMXHBPZ-UHFFFAOYSA-N 0 0 341.419 1.730 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccsc2)CCN1CCOC ZINC000125436397 442021069 /nfs/dbraw/zinc/02/10/69/442021069.db2.gz GZRXFXFDIDOEMR-ZDUSSCGKSA-N 0 0 325.434 1.256 10 0 EDAERN Cc1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c(=O)[nH]n(C)c2n1 ZINC000120210720 442029159 /nfs/dbraw/zinc/02/91/59/442029159.db2.gz XHVVDUDJFTZJSN-KPZWWZAWSA-N 0 0 344.415 1.337 10 0 EDAERN COc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2cccnc2)COC1 ZINC000096112463 442036061 /nfs/dbraw/zinc/03/60/61/442036061.db2.gz DNPGWPYQJFGCMW-ZDUSSCGKSA-N 0 0 338.367 1.941 10 0 EDAERN CCc1nc(CNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cs1 ZINC000175517657 442078814 /nfs/dbraw/zinc/07/88/14/442078814.db2.gz VZUUQUGPPZBXAN-NSHDSACASA-N 0 0 336.421 1.415 10 0 EDAERN O=C(CS(=O)(=O)C1CCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151560475 442084890 /nfs/dbraw/zinc/08/48/90/442084890.db2.gz XXATXPAPTFOOIO-XJKSGUPXSA-N 0 0 329.462 1.497 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 ZINC000126182391 442086542 /nfs/dbraw/zinc/08/65/42/442086542.db2.gz HTQUUWNAJBHUGM-UHFFFAOYSA-N 0 0 348.382 1.867 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000162648699 442111040 /nfs/dbraw/zinc/11/10/40/442111040.db2.gz BLQXCDMHJUESQR-HNNXBMFYSA-N 0 0 342.403 1.459 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000175731150 442112325 /nfs/dbraw/zinc/11/23/25/442112325.db2.gz RJGUNJHUIJTXRC-LLVKDONJSA-N 0 0 338.379 1.631 10 0 EDAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175751391 442116275 /nfs/dbraw/zinc/11/62/75/442116275.db2.gz LXSLEOAXYMMDOJ-MRVPVSSYSA-N 0 0 335.360 1.627 10 0 EDAERN COC(=O)CCCCCCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000151831507 442127273 /nfs/dbraw/zinc/12/72/73/442127273.db2.gz GTQYQRJHCDPPMN-ZDUSSCGKSA-N 0 0 337.424 1.406 10 0 EDAERN O=C(CSCc1ccncc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126641292 442129373 /nfs/dbraw/zinc/12/93/73/442129373.db2.gz WFLGKDJLGPGVIP-OAHLLOKOSA-N 0 0 331.445 1.845 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnn(CC(C)C)c1C)CC2 ZINC000162923028 442131408 /nfs/dbraw/zinc/13/14/08/442131408.db2.gz OUZGVYITOWFCHF-ZDUSSCGKSA-N 0 0 330.436 1.746 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000175903395 442142828 /nfs/dbraw/zinc/14/28/28/442142828.db2.gz UJZOEPJAEGLWSH-OAHLLOKOSA-N 0 0 326.352 1.804 10 0 EDAERN O=C(NCCc1nnc2n1CCCCC2)N[C@H]1CCCC[C@H]1CO ZINC000175909626 442144166 /nfs/dbraw/zinc/14/41/66/442144166.db2.gz LVEOOXHMDHFYEE-KBPBESRZSA-N 0 0 335.452 1.397 10 0 EDAERN COc1cccc(CCNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000175658447 442100151 /nfs/dbraw/zinc/10/01/51/442100151.db2.gz BGSVMNIZABFPNP-QAPCUYQASA-N 0 0 347.459 1.600 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1cc(C)ccc1F)CC2 ZINC000151670668 442104542 /nfs/dbraw/zinc/10/45/42/442104542.db2.gz SYUKACAIFHKSBW-GFCCVEGCSA-N 0 0 332.379 1.798 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)CCCNC(=O)C(C)(C)C)n1 ZINC000121045137 442169797 /nfs/dbraw/zinc/16/97/97/442169797.db2.gz GRZOYUZSLDVREU-LBPRGKRZSA-N 0 0 338.408 1.220 10 0 EDAERN O=C(Cc1noc2ccccc21)N1CCC[C@H](Cn2cncn2)C1 ZINC000127169565 442178299 /nfs/dbraw/zinc/17/82/99/442178299.db2.gz JNYFDFRVLDCSDO-ZDUSSCGKSA-N 0 0 325.372 1.901 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)c1cccs1 ZINC000176170896 442185083 /nfs/dbraw/zinc/18/50/83/442185083.db2.gz IURDHIUPSBJCLF-NXEZZACHSA-N 0 0 342.446 1.026 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000176169126 442185508 /nfs/dbraw/zinc/18/55/08/442185508.db2.gz IWVLAGYOANLHFC-LSDHHAIUSA-N 0 0 328.368 1.478 10 0 EDAERN CC(C)OCCCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000152265889 442190339 /nfs/dbraw/zinc/19/03/39/442190339.db2.gz OXJUUCOAEJZQDJ-GDBMZVCRSA-N 0 0 340.464 1.724 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H]1C ZINC000152332494 442199230 /nfs/dbraw/zinc/19/92/30/442199230.db2.gz SKJSJJWKNAIEFN-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000121296000 442200946 /nfs/dbraw/zinc/20/09/46/442200946.db2.gz GUYKAWDJEQLMIA-HUUCEWRRSA-N 0 0 336.432 1.437 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cs1 ZINC000152351648 442200956 /nfs/dbraw/zinc/20/09/56/442200956.db2.gz AZGRUHDIDRGXIW-SWLSCSKDSA-N 0 0 343.470 1.919 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000175953025 442152134 /nfs/dbraw/zinc/15/21/34/442152134.db2.gz LCGAUNLCSFOEQO-CQSZACIVSA-N 0 0 328.376 1.352 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CCC(=O)OC(C)(C)C ZINC000152039142 442156430 /nfs/dbraw/zinc/15/64/30/442156430.db2.gz AABLBHXTDSNYFR-GFCCVEGCSA-N 0 0 337.424 1.795 10 0 EDAERN CCNC(=O)CNC(=O)N[C@@H](C)c1ccccc1Br ZINC000126965193 442157924 /nfs/dbraw/zinc/15/79/24/442157924.db2.gz LFYBUGXOCDTQEW-VIFPVBQESA-N 0 0 328.210 1.945 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2nc(C)cs2)C1 ZINC000175989482 442158502 /nfs/dbraw/zinc/15/85/02/442158502.db2.gz IDMBITYVBDLMPX-LLVKDONJSA-N 0 0 338.433 1.297 10 0 EDAERN CC[C@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CCN1CCOC ZINC000152054158 442158997 /nfs/dbraw/zinc/15/89/97/442158997.db2.gz LIYUVYDRBVWJIY-RDJZCZTQSA-N 0 0 336.407 1.698 10 0 EDAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N[C@H]1CCCn2ncnc21 ZINC000176017372 442162397 /nfs/dbraw/zinc/16/23/97/442162397.db2.gz YONIJZCTEOGYNX-LBPRGKRZSA-N 0 0 326.360 1.819 10 0 EDAERN CC(C)NC(=O)CCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152102490 442165100 /nfs/dbraw/zinc/16/51/00/442165100.db2.gz FOSLVJNOAMMPHV-CQSZACIVSA-N 0 0 348.451 1.002 10 0 EDAERN CC(C)c1nnc(CN2C(=O)N[C@](C)(c3cccnc3)C2=O)n1C ZINC000176756690 442254288 /nfs/dbraw/zinc/25/42/88/442254288.db2.gz VUZVRCPKPFPHAY-MRXNPFEDSA-N 0 0 328.376 1.301 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000164982081 442206025 /nfs/dbraw/zinc/20/60/25/442206025.db2.gz BUYHFPVFVXPPST-XJKSGUPXSA-N 0 0 330.388 1.259 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(F)cc1 ZINC000152465665 442216300 /nfs/dbraw/zinc/21/63/00/442216300.db2.gz SKFCLPSLGMYNSH-ZDUSSCGKSA-N 0 0 333.367 1.898 10 0 EDAERN COc1ccc(OC)c(CC(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000127652585 442217952 /nfs/dbraw/zinc/21/79/52/442217952.db2.gz WJMHSGYJEHSXQO-AWEZNQCLSA-N 0 0 344.415 1.777 10 0 EDAERN O=Cc1cccc(OCC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000127709712 442221116 /nfs/dbraw/zinc/22/11/16/442221116.db2.gz IIXRTDHDXMEHTK-OAHLLOKOSA-N 0 0 328.372 1.408 10 0 EDAERN CN(C)c1ccnc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000127827881 442228005 /nfs/dbraw/zinc/22/80/05/442228005.db2.gz PZOGOVCCABBNHV-HNNXBMFYSA-N 0 0 340.431 1.679 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(C(N)=O)c1 ZINC000176502572 442229042 /nfs/dbraw/zinc/22/90/42/442229042.db2.gz OWARJTSAMQXZPZ-LBPRGKRZSA-N 0 0 328.376 1.596 10 0 EDAERN C[C@H](NC(=O)Nc1cccc(N(C)C)n1)c1nnc2n1CCCC2 ZINC000152620148 442231495 /nfs/dbraw/zinc/23/14/95/442231495.db2.gz GBYVONQXDRKIOV-NSHDSACASA-N 0 0 329.408 1.958 10 0 EDAERN CNC(=O)c1cccc(CCNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176542098 442232873 /nfs/dbraw/zinc/23/28/73/442232873.db2.gz OPAFUHXGDLPNEK-AWEZNQCLSA-N 0 0 342.403 1.015 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)Cc2cnn(C)c2)c2cccs2)CCO1 ZINC000176601911 442238930 /nfs/dbraw/zinc/23/89/30/442238930.db2.gz IDEPDQBKCGJTNX-ZFWWWQNUSA-N 0 0 348.472 1.602 10 0 EDAERN COCCN(CCOC)S(=O)(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000176709871 442248744 /nfs/dbraw/zinc/24/87/44/442248744.db2.gz XIXFZSRURKTHJU-ZDUSSCGKSA-N 0 0 348.440 1.624 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)o1 ZINC000170788246 442264618 /nfs/dbraw/zinc/26/46/18/442264618.db2.gz CNFSGKFZTYJCRJ-IINYFYTJSA-N 0 0 335.385 1.495 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)CN2CCC(=O)NC2=O)o1 ZINC000128415413 442265080 /nfs/dbraw/zinc/26/50/80/442265080.db2.gz OTROHIYHOBDGAF-CYBMUJFWSA-N 0 0 333.388 1.838 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)Cn2ccc(=O)n(C)c2=O)o1 ZINC000128432136 442266414 /nfs/dbraw/zinc/26/64/14/442266414.db2.gz DBQFUXSNYAUUJO-AWEZNQCLSA-N 0 0 345.399 1.456 10 0 EDAERN COc1ccccc1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000176992067 442281755 /nfs/dbraw/zinc/28/17/55/442281755.db2.gz QPNJXLPRGGKNDE-KBPBESRZSA-N 0 0 340.445 1.036 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)C[C@@H]1N1CCOCC1 ZINC000176996041 442282385 /nfs/dbraw/zinc/28/23/85/442282385.db2.gz DUTUABYJYLXSAP-RISCZKNCSA-N 0 0 346.399 1.306 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc4c(c3)CCO4)CCO2)[nH]1 ZINC000177002769 442283403 /nfs/dbraw/zinc/28/34/03/442283403.db2.gz JXHKIYUHHGUROI-CQSZACIVSA-N 0 0 329.360 1.653 10 0 EDAERN COCc1cccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000177002047 442283499 /nfs/dbraw/zinc/28/34/99/442283499.db2.gz BLQZIBDCEHPGGX-AWEZNQCLSA-N 0 0 336.417 1.546 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000170897752 442285319 /nfs/dbraw/zinc/28/53/19/442285319.db2.gz BXTGMIZFFOWUPW-ZDUSSCGKSA-N 0 0 331.351 1.853 10 0 EDAERN CCNc1ncc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)s1 ZINC000128820128 442289755 /nfs/dbraw/zinc/28/97/55/442289755.db2.gz QPKPSZQTKLMZMV-CYBMUJFWSA-N 0 0 349.460 1.929 10 0 EDAERN Cc1cccc(NC(=O)CN(C)C(=O)NC[C@@H]2CN(C)CCO2)c1C ZINC000170924876 442290361 /nfs/dbraw/zinc/29/03/61/442290361.db2.gz ZFVSJNARCKOHSL-OAHLLOKOSA-N 0 0 348.447 1.214 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000177138012 442303362 /nfs/dbraw/zinc/30/33/62/442303362.db2.gz XQKVHPUEERSPJA-SECBINFHSA-N 0 0 342.754 1.829 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000171182716 442323466 /nfs/dbraw/zinc/32/34/66/442323466.db2.gz AROISXQGRXHAIS-AWEZNQCLSA-N 0 0 329.360 1.869 10 0 EDAERN O=C(Cc1ccc(O)cc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177330874 442329174 /nfs/dbraw/zinc/32/91/74/442329174.db2.gz NASWNYWNIRTTCU-IBGZPJMESA-N 0 0 340.423 1.813 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N(C)CCC3CCOCC3)nc2n1 ZINC000154393987 442336879 /nfs/dbraw/zinc/33/68/79/442336879.db2.gz AWEQZRUOCIFNHH-UHFFFAOYSA-N 0 0 331.420 1.559 10 0 EDAERN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSC[C@@H](O)CO ZINC000177415970 442338882 /nfs/dbraw/zinc/33/88/82/442338882.db2.gz WIDMOUCPUKXZJV-HNNXBMFYSA-N 0 0 349.456 1.192 10 0 EDAERN CN(c1ccccc1)c1ccc(C(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000171287447 442339140 /nfs/dbraw/zinc/33/91/40/442339140.db2.gz DTHPONKXYRHTSG-KRWDZBQOSA-N 0 0 340.427 1.910 10 0 EDAERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1nccs1 ZINC000177428443 442340380 /nfs/dbraw/zinc/34/03/80/442340380.db2.gz SUSBJJQZZDVGQD-NSHDSACASA-N 0 0 326.443 1.820 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000130541185 442349191 /nfs/dbraw/zinc/34/91/91/442349191.db2.gz GBVDJBSLGOODRL-OWCLPIDISA-N 0 0 332.400 1.837 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCNC(=O)c2cccs2)cn1 ZINC000171462464 442350817 /nfs/dbraw/zinc/35/08/17/442350817.db2.gz DOCDKQFDZJVSPD-CYBMUJFWSA-N 0 0 347.444 1.758 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000154678739 442351233 /nfs/dbraw/zinc/35/12/33/442351233.db2.gz UEQFUCFBRXRJJV-CHWSQXEVSA-N 0 0 328.372 1.428 10 0 EDAERN COc1cccc(-c2cc(C(=O)N3CCC[C@@H](NC(C)=O)C3)[nH]n2)c1 ZINC000153935296 442312224 /nfs/dbraw/zinc/31/22/24/442312224.db2.gz HLCLUOUKGAKHCB-CQSZACIVSA-N 0 0 342.399 1.826 10 0 EDAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2nccs2)C1 ZINC000171665540 442368276 /nfs/dbraw/zinc/36/82/76/442368276.db2.gz SELWTSFXQAHXLJ-UWVGGRQHSA-N 0 0 335.437 1.111 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000177701852 442372747 /nfs/dbraw/zinc/37/27/47/442372747.db2.gz LYLOWXVKBQCLCK-XJKSGUPXSA-N 0 0 332.448 1.529 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc(-c2ncccn2)s1 ZINC000177710893 442373725 /nfs/dbraw/zinc/37/37/25/442373725.db2.gz KFSWFXHREUWSBQ-SNVBAGLBSA-N 0 0 341.400 1.765 10 0 EDAERN COc1ccc(C(=O)N2CCN(C(=O)C[C@H](O)C(C)C)CC2)cc1 ZINC000155397371 442395377 /nfs/dbraw/zinc/39/53/77/442395377.db2.gz PGDQSHYSQSPPAQ-INIZCTEOSA-N 0 0 334.416 1.387 10 0 EDAERN CN(C)C(=O)c1ccc(N(C)[C@H]2CCCN(c3cccnn3)C2)nc1 ZINC000171986551 442395844 /nfs/dbraw/zinc/39/58/44/442395844.db2.gz XYPMRZBSTHRWBR-HNNXBMFYSA-N 0 0 340.431 1.679 10 0 EDAERN CCCc1cc(=O)n2nc(N3CC[C@H](c4cnn(C)c4)C3)sc2n1 ZINC000172016419 442399719 /nfs/dbraw/zinc/39/97/19/442399719.db2.gz NKDDILRQSBTDFM-NSHDSACASA-N 0 0 344.444 1.831 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1scnc1C)CC2 ZINC000172039808 442402905 /nfs/dbraw/zinc/40/29/05/442402905.db2.gz URGGDIOTCVZXPR-LLVKDONJSA-N 0 0 334.449 1.762 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c(C)c(C)n[nH]c1=O ZINC000171576134 442358749 /nfs/dbraw/zinc/35/87/49/442358749.db2.gz JZZMNWYWCZQZAN-CYBMUJFWSA-N 0 0 329.404 1.714 10 0 EDAERN O=C(CCc1nc(-c2ccco2)no1)N[C@@H]1CCCn2ncnc21 ZINC000177603319 442361742 /nfs/dbraw/zinc/36/17/42/442361742.db2.gz XMBWOUCOFXHDGQ-SNVBAGLBSA-N 0 0 328.332 1.505 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)OC[C@@H]2Cc2ccccc2)C1 ZINC000131060873 442363432 /nfs/dbraw/zinc/36/34/32/442363432.db2.gz RVXLWGUECIPOJU-SJORKVTESA-N 0 0 331.416 1.608 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)COc2c(C)cccc2C)n1 ZINC000155532389 442405983 /nfs/dbraw/zinc/40/59/83/442405983.db2.gz LDQIPCLCLBAXBE-CQSZACIVSA-N 0 0 331.372 1.974 10 0 EDAERN COc1ccc(C[C@H](C)CN(C)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000133345550 442413924 /nfs/dbraw/zinc/41/39/24/442413924.db2.gz YKTOKXKQPUPBOX-MAUKXSAKSA-N 0 0 349.475 1.846 10 0 EDAERN COc1cc(C)ccc1CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000155719038 442421940 /nfs/dbraw/zinc/42/19/40/442421940.db2.gz PWALLMUCRBUUAF-RDJZCZTQSA-N 0 0 347.459 1.866 10 0 EDAERN COc1cc(C)ccc1CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000155835312 442431627 /nfs/dbraw/zinc/43/16/27/442431627.db2.gz MHZTTZJQLCZERL-HNNXBMFYSA-N 0 0 345.403 1.713 10 0 EDAERN CC(C)n1nnnc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172558109 442490270 /nfs/dbraw/zinc/49/02/70/442490270.db2.gz PPDGIZIWFNWIRN-CYBMUJFWSA-N 0 0 326.408 1.676 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000178843647 442501077 /nfs/dbraw/zinc/50/10/77/442501077.db2.gz REVFAMOFLMTTQC-CWRNSKLLSA-N 0 0 347.459 1.718 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)COc3cccc(C=O)c3)CCO2)cn1 ZINC000191775882 442508745 /nfs/dbraw/zinc/50/87/45/442508745.db2.gz MFMLXDPPZHEUFE-KRWDZBQOSA-N 0 0 343.383 1.694 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CCC1 ZINC000186184532 442480805 /nfs/dbraw/zinc/48/08/05/442480805.db2.gz PVBCSRFBGSSDCY-UHFFFAOYSA-N 0 0 328.821 1.629 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000191912739 442539163 /nfs/dbraw/zinc/53/91/63/442539163.db2.gz WPWKSURHIGOJAM-UHFFFAOYSA-N 0 0 349.431 1.705 10 0 EDAERN O=C(c1ccc2c(c1)CCC(=O)N2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766444 442539489 /nfs/dbraw/zinc/53/94/89/442539489.db2.gz JFBYRCYCOYGDJU-OAHLLOKOSA-N 0 0 329.400 1.118 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3c[nH]nc3-c3cccnc3)CCO2)[nH]1 ZINC000180116673 442544469 /nfs/dbraw/zinc/54/44/69/442544469.db2.gz CTSFVWCVEQUALA-AWEZNQCLSA-N 0 0 325.376 1.472 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)cn1 ZINC000191788824 442511560 /nfs/dbraw/zinc/51/15/60/442511560.db2.gz UQLXWAQMDMBEDW-CZUORRHYSA-N 0 0 330.388 1.665 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(OC)ncn2)cc1 ZINC000156770380 442518589 /nfs/dbraw/zinc/51/85/89/442518589.db2.gz IOVPTXNPANZPSE-LLVKDONJSA-N 0 0 328.372 1.864 10 0 EDAERN O=C(NCCn1ccnc1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000179924510 442519813 /nfs/dbraw/zinc/51/98/13/442519813.db2.gz ZZRJIPUICIWISE-AWEZNQCLSA-N 0 0 343.435 1.748 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@]1(O)CCOC1)C(C)C ZINC000178925751 442527607 /nfs/dbraw/zinc/52/76/07/442527607.db2.gz QPUORTPRIUVJEZ-CRAIPNDOSA-N 0 0 334.416 1.017 10 0 EDAERN O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000172751099 442533607 /nfs/dbraw/zinc/53/36/07/442533607.db2.gz CTNUGMRVSVJBCW-AWEZNQCLSA-N 0 0 328.416 1.429 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(-n2cncn2)c1 ZINC000135275999 442575274 /nfs/dbraw/zinc/57/52/74/442575274.db2.gz LDOYSKVGMUOKSG-OAHLLOKOSA-N 0 0 349.398 1.456 10 0 EDAERN CN(C)[C@@H](C(=O)N[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000135297705 442576899 /nfs/dbraw/zinc/57/68/99/442576899.db2.gz LEPNZQBCFQFMFN-SJLPKXTDSA-N 0 0 339.443 1.865 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(C)C ZINC000179124227 442576907 /nfs/dbraw/zinc/57/69/07/442576907.db2.gz KDJPNOWBFUCWRA-NVXWUHKLSA-N 0 0 349.450 1.925 10 0 EDAERN CC(C)(C)OC[C@H](O)CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157733004 442608597 /nfs/dbraw/zinc/60/85/97/442608597.db2.gz DBVFHWSKXBCIDS-KSZLIROESA-N 0 0 337.460 1.987 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(C)c(O)c3)CCO2)[nH]1 ZINC000180345863 442584009 /nfs/dbraw/zinc/58/40/09/442584009.db2.gz WHNPBURTWZYGDA-CQSZACIVSA-N 0 0 330.388 1.524 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCNS(C)(=O)=O)o1 ZINC000173019040 442586460 /nfs/dbraw/zinc/58/64/60/442586460.db2.gz JKHWEUDTQLRKCM-ZDUSSCGKSA-N 0 0 328.434 1.835 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CCOc2ccccc2OC)CC1 ZINC000186683401 442591324 /nfs/dbraw/zinc/59/13/24/442591324.db2.gz IZVGKXOVIXVKRP-UHFFFAOYSA-N 0 0 336.432 1.945 10 0 EDAERN COCCOc1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)ccn1 ZINC000180445144 442603439 /nfs/dbraw/zinc/60/34/39/442603439.db2.gz PDDSQXWJPWARRL-CQSZACIVSA-N 0 0 345.403 1.251 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000180251334 442566855 /nfs/dbraw/zinc/56/68/55/442566855.db2.gz HOXSUDKZJQUDDZ-CJNGLKHVSA-N 0 0 349.406 1.252 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)C(C)C ZINC000179078411 442566993 /nfs/dbraw/zinc/56/69/93/442566993.db2.gz ONBQSXOLHLLMOD-GFCCVEGCSA-N 0 0 325.796 1.474 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2cccc(O)c2)C1 ZINC000192372190 442641329 /nfs/dbraw/zinc/64/13/29/442641329.db2.gz SQDQTSRXHOEHNH-UONOGXRCSA-N 0 0 332.360 1.755 10 0 EDAERN CC[C@H](C)Oc1cc(CNC(=O)N2CCC[C@H]2C(=O)NC)ccn1 ZINC000180661500 442644966 /nfs/dbraw/zinc/64/49/66/442644966.db2.gz XZAYPMVQHYXLKR-JSGCOSHPSA-N 0 0 334.420 1.679 10 0 EDAERN COCCOc1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccn1 ZINC000180683751 442648086 /nfs/dbraw/zinc/64/80/86/442648086.db2.gz VHFPTKDSVQFSGU-CRAIPNDOSA-N 0 0 334.416 1.874 10 0 EDAERN C/C=C/C[C@H](CO)NC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000187048337 442648891 /nfs/dbraw/zinc/64/88/91/442648891.db2.gz FURPRDQLTAULPY-SCYVGKGRSA-N 0 0 348.443 1.893 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)Nc1cnns1)C(C)C ZINC000192218485 442615218 /nfs/dbraw/zinc/61/52/18/442615218.db2.gz QVASMYQIQDNZCP-ZDUSSCGKSA-N 0 0 334.401 1.940 10 0 EDAERN CCS(=O)(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232217 442618578 /nfs/dbraw/zinc/61/85/78/442618578.db2.gz RYEVWLOLDPRVHO-CYBMUJFWSA-N 0 0 334.482 1.464 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)[C@@H]3CCO[C@H]3C)CC2)cn1 ZINC000135725098 442628195 /nfs/dbraw/zinc/62/81/95/442628195.db2.gz NKJUDIXIDBHSGV-SWLSCSKDSA-N 0 0 327.450 1.590 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000135773047 442632847 /nfs/dbraw/zinc/63/28/47/442632847.db2.gz HCXWXCMYOUQNBB-INIZCTEOSA-N 0 0 325.368 1.735 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)ccc1C ZINC000180610559 442633255 /nfs/dbraw/zinc/63/32/55/442633255.db2.gz SQXQXHIXGMWELY-INIZCTEOSA-N 0 0 341.415 1.951 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000180609718 442633265 /nfs/dbraw/zinc/63/32/65/442633265.db2.gz QDGPIUOAKMBKRX-JTQLQIEISA-N 0 0 332.335 1.749 10 0 EDAERN COc1cnccc1[C@@H](C)NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000187510487 442679865 /nfs/dbraw/zinc/67/98/65/442679865.db2.gz GOMBDPRJCNNKAL-ZIAGYGMSSA-N 0 0 345.403 1.458 10 0 EDAERN CN(Cc1nnc(C2CCC2)n1C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000181271418 442687740 /nfs/dbraw/zinc/68/77/40/442687740.db2.gz UVMXIXCOBJLMQS-OAHLLOKOSA-N 0 0 341.463 1.973 10 0 EDAERN CCc1nc(NC(=O)C(=O)N2CCC([C@@H](C)O)CC2)sc1C ZINC000192924986 442698826 /nfs/dbraw/zinc/69/88/26/442698826.db2.gz WYQDFNYCFYOVMQ-SECBINFHSA-N 0 0 325.434 1.572 10 0 EDAERN Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)nn1-c1ccc(C)cc1 ZINC000188066649 442707795 /nfs/dbraw/zinc/70/77/95/442707795.db2.gz UNKBIAVJBUXLAI-AWEZNQCLSA-N 0 0 326.400 1.840 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)sc1C ZINC000193172940 442719627 /nfs/dbraw/zinc/71/96/27/442719627.db2.gz FCGAGLADOUWSIJ-MLGOLLRUSA-N 0 0 337.445 1.852 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000188186900 442722061 /nfs/dbraw/zinc/72/20/61/442722061.db2.gz IXWYSSOPESJGEA-SNVBAGLBSA-N 0 0 325.796 1.557 10 0 EDAERN Cc1cnccc1CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000188303055 442736045 /nfs/dbraw/zinc/73/60/45/442736045.db2.gz POPOKYCCDLJOHT-UHFFFAOYSA-N 0 0 342.447 1.541 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000193048857 442708318 /nfs/dbraw/zinc/70/83/18/442708318.db2.gz MWIJGZLBVDZULP-NVXWUHKLSA-N 0 0 330.428 1.855 10 0 EDAERN O=C(NC1CN(C(=O)c2csc(-c3cnccn3)n2)C1)C1CCC1 ZINC000188490368 442755884 /nfs/dbraw/zinc/75/58/84/442755884.db2.gz SQBBQVVLPUKCLS-UHFFFAOYSA-N 0 0 343.412 1.341 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C[C@@H](C)O1 ZINC000246687948 442803115 /nfs/dbraw/zinc/80/31/15/442803115.db2.gz JEVCWFNRKWATRS-FMKPAKJESA-N 0 0 331.416 1.570 10 0 EDAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)O1 ZINC000246305727 442771205 /nfs/dbraw/zinc/77/12/05/442771205.db2.gz CHZYTPTUVKCVKJ-ZDCRXTMVSA-N 0 0 337.342 1.440 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000193714700 442772254 /nfs/dbraw/zinc/77/22/54/442772254.db2.gz NEAOUMDKPQPRLX-IUODEOHRSA-N 0 0 336.819 1.470 10 0 EDAERN OC[C@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1ccccc1 ZINC000246465071 442783862 /nfs/dbraw/zinc/78/38/62/442783862.db2.gz NNLMFWRCVLTONZ-HOTGVXAUSA-N 0 0 328.416 1.626 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](c2nncn2C)C1)C(C)C ZINC000193904350 442809796 /nfs/dbraw/zinc/80/97/96/442809796.db2.gz GGHWXXHTFHLMKQ-GDBMZVCRSA-N 0 0 349.479 1.708 10 0 EDAERN C=Cn1cc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)cn1 ZINC000193915074 442811172 /nfs/dbraw/zinc/81/11/72/442811172.db2.gz WSGLDQOUTBTQML-GOSISDBHSA-N 0 0 342.443 1.541 10 0 EDAERN C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000193928854 442813394 /nfs/dbraw/zinc/81/33/94/442813394.db2.gz JJWDCGAWJXFGDE-GFCCVEGCSA-N 0 0 327.388 1.861 10 0 EDAERN O=C(c1cc(OCC(F)F)ccn1)N1CCC[C@H](n2cncn2)C1 ZINC000182723969 442813515 /nfs/dbraw/zinc/81/35/15/442813515.db2.gz SSSSWEQGUFUNKE-NSHDSACASA-N 0 0 337.330 1.794 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)c3c(C)noc3C)CCO2)n1 ZINC000193947593 442817148 /nfs/dbraw/zinc/81/71/48/442817148.db2.gz MUIBUBDCZXNPEZ-LLVKDONJSA-N 0 0 343.430 1.819 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246899929 442821081 /nfs/dbraw/zinc/82/10/81/442821081.db2.gz XPIKOTZBQLIQLR-GJZGRUSLSA-N 0 0 345.443 1.016 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)CCCC(=O)OC)CC2)cn1 ZINC000182764402 442821358 /nfs/dbraw/zinc/82/13/58/442821358.db2.gz OHJCGPJLCMBOSZ-UHFFFAOYSA-N 0 0 336.436 1.281 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)ccc1C ZINC000246926156 442822249 /nfs/dbraw/zinc/82/22/49/442822249.db2.gz ZBWLAFOUVANHIV-KBPBESRZSA-N 0 0 333.432 1.481 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc(Br)cc1 ZINC000188845686 442825759 /nfs/dbraw/zinc/82/57/59/442825759.db2.gz NUWLLAOITFFLHZ-SNVBAGLBSA-N 0 0 325.206 1.729 10 0 EDAERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188893465 442837320 /nfs/dbraw/zinc/83/73/20/442837320.db2.gz OSNNWUFGMUROJG-CXAGYDPISA-N 0 0 341.411 1.688 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@H]1C ZINC000247142433 442838336 /nfs/dbraw/zinc/83/83/36/442838336.db2.gz ZTTIBFKXWYJTOD-VYDXJSESSA-N 0 0 333.432 1.399 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC[N@@H+]1C[C@H](C)O ZINC000247262640 442843925 /nfs/dbraw/zinc/84/39/25/442843925.db2.gz XRNIMCWSGVTNNW-AAEUAGOBSA-N 0 0 326.824 1.963 10 0 EDAERN C[C@@H]1C(=O)NCCCN1Cc1cc2c(c(Br)c1)OCO2 ZINC000189097844 442877506 /nfs/dbraw/zinc/87/75/06/442877506.db2.gz JKPXASIDHMRPFQ-SECBINFHSA-N 0 0 341.205 1.888 10 0 EDAERN C[C@@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000183136234 442886420 /nfs/dbraw/zinc/88/64/20/442886420.db2.gz WBIPYRGRWVDSII-QAPCUYQASA-N 0 0 347.459 1.614 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1C)[C@H]1CCCO1 ZINC000182964037 442855475 /nfs/dbraw/zinc/85/54/75/442855475.db2.gz UPVHCQFXMZCFLT-BXUZGUMPSA-N 0 0 334.420 1.700 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NCc1cc[nH]n1)C(C)C ZINC000194466659 442901638 /nfs/dbraw/zinc/90/16/38/442901638.db2.gz BTRWFDNOGKITJX-HNNXBMFYSA-N 0 0 330.388 1.489 10 0 EDAERN COc1ccc(Cl)cc1CNC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189306788 442917148 /nfs/dbraw/zinc/91/71/48/442917148.db2.gz GTXYNCQUMDVPTK-LLVKDONJSA-N 0 0 339.823 1.175 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2ccccc2F)C1 ZINC000189328805 442922273 /nfs/dbraw/zinc/92/22/73/442922273.db2.gz FKWQTCXOPAEXSD-SMDDNHRTSA-N 0 0 334.351 1.918 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)c1C(=O)[O-] ZINC000248865067 442931832 /nfs/dbraw/zinc/93/18/32/442931832.db2.gz HOTJQSYMUMGYAR-ZDUSSCGKSA-N 0 0 338.429 1.470 10 0 EDAERN CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1Cl ZINC000194800634 442955811 /nfs/dbraw/zinc/95/58/11/442955811.db2.gz JYUIHAGMXJTBLQ-SNVBAGLBSA-N 0 0 337.807 1.897 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000189456380 442957752 /nfs/dbraw/zinc/95/77/52/442957752.db2.gz CQADZYBCLTUUEV-CYBMUJFWSA-N 0 0 344.415 1.022 10 0 EDAERN O=C(NCCOc1cccc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000194819597 442957958 /nfs/dbraw/zinc/95/79/58/442957958.db2.gz QGWTWMUSFGQINJ-VIFPVBQESA-N 0 0 327.178 1.080 10 0 EDAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189464306 442960294 /nfs/dbraw/zinc/96/02/94/442960294.db2.gz DVXFBMJMABCJFT-CQSZACIVSA-N 0 0 335.448 1.151 10 0 EDAERN CSCC[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1nc2ccccc2[nH]1 ZINC000194863293 442961971 /nfs/dbraw/zinc/96/19/71/442961971.db2.gz BUEWNJVBLUNYMG-ZWNOBZJWSA-N 0 0 332.429 1.609 10 0 EDAERN Cn1ccnc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1=O ZINC000183863303 442971518 /nfs/dbraw/zinc/97/15/18/442971518.db2.gz UZKHWEMXNHCUJS-GJZGRUSLSA-N 0 0 342.399 1.900 10 0 EDAERN CCn1c(C)nnc1CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000195051805 442980043 /nfs/dbraw/zinc/98/00/43/442980043.db2.gz ZPHBHQCLICDXFJ-UHFFFAOYSA-N 0 0 342.447 1.363 10 0 EDAERN COCCN1CCN(S(=O)(=O)CCc2cccs2)C[C@H]1C ZINC000189630684 442986770 /nfs/dbraw/zinc/98/67/70/442986770.db2.gz DPXLTKLFJRWNCA-CYBMUJFWSA-N 0 0 332.491 1.273 10 0 EDAERN CCN(C[C@H](O)C(F)(F)F)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000189813464 443015607 /nfs/dbraw/zinc/01/56/07/443015607.db2.gz MSHYPFIBNZSIIZ-JQWIXIFHSA-N 0 0 347.337 1.968 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cc(N(C)C)ccn2)C12CCOCC2 ZINC000184494465 443028978 /nfs/dbraw/zinc/02/89/78/443028978.db2.gz NJELHSWAVWVZHJ-JKSUJKDBSA-N 0 0 333.432 1.852 10 0 EDAERN COC(=O)c1ncn(-c2ccc(I)cc2)n1 ZINC000217780564 443057334 /nfs/dbraw/zinc/05/73/34/443057334.db2.gz NAVDTFMZOWQWCG-UHFFFAOYSA-N 0 0 329.097 1.659 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccccc2OC)CC1 ZINC000184720410 443065580 /nfs/dbraw/zinc/06/55/80/443065580.db2.gz WMSZHOOMCDSAGI-INIZCTEOSA-N 0 0 335.448 1.336 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2c(C)cccc2F)C[C@@H]1C ZINC000184748919 443071491 /nfs/dbraw/zinc/07/14/91/443071491.db2.gz JNFRVXQTNDSMEA-AWEZNQCLSA-N 0 0 344.452 1.865 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccc(COC)c2)CC1 ZINC000184825888 443082401 /nfs/dbraw/zinc/08/24/01/443082401.db2.gz BKORHSKICPQNES-KRWDZBQOSA-N 0 0 335.448 1.431 10 0 EDAERN Cc1coc2ccc(NC(=O)C(=O)N[C@H]3CCc4ncnn4C3)cc12 ZINC000184942094 443103026 /nfs/dbraw/zinc/10/30/26/443103026.db2.gz NITVYAWAWBUKSW-LBPRGKRZSA-N 0 0 339.355 1.402 10 0 EDAERN CCCn1ccnc1CCCN(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000190457795 443112725 /nfs/dbraw/zinc/11/27/25/443112725.db2.gz JRKQLQIIGWLOQK-AWEZNQCLSA-N 0 0 345.451 1.474 10 0 EDAERN COCCn1c(C)c(C)c2cc(C(=O)N3CC(NC(C)=O)C3)ccc21 ZINC000190471724 443114701 /nfs/dbraw/zinc/11/47/01/443114701.db2.gz QJFVNZFTLUMVIH-UHFFFAOYSA-N 0 0 343.427 1.865 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)C1 ZINC000190490196 443119329 /nfs/dbraw/zinc/11/93/29/443119329.db2.gz JCAPRQFKTOYRGS-AWEZNQCLSA-N 0 0 329.400 1.003 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(C(C)C)nc3onc(C)c32)C1 ZINC000185247069 443169578 /nfs/dbraw/zinc/16/95/78/443169578.db2.gz SZEVOJYVEWLZJD-UHFFFAOYSA-N 0 0 346.387 1.242 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000185295080 443177907 /nfs/dbraw/zinc/17/79/07/443177907.db2.gz HPAZWSULXYQKCT-UHFFFAOYSA-N 0 0 334.416 1.336 10 0 EDAERN C[C@H](NCc1nnnn1CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000191025390 443226945 /nfs/dbraw/zinc/22/69/45/443226945.db2.gz OPCKEKGIVNYCKQ-VIFPVBQESA-N 0 0 343.309 1.857 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)C1 ZINC000185531293 443214498 /nfs/dbraw/zinc/21/44/98/443214498.db2.gz LFGBNTQGHAYDGA-ZDUSSCGKSA-N 0 0 338.433 1.059 10 0 EDAERN CC(C)[C@H](C(=O)N[C@H]1CCCC[C@H]1O)N1C(=O)c2ccccc2C1=O ZINC000245705593 443246127 /nfs/dbraw/zinc/24/61/27/443246127.db2.gz XDXWHBUVKOXZLH-ARFHVFGLSA-N 0 0 344.411 1.727 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCCc3ccc(C)cc32)C1 ZINC000185748191 443249877 /nfs/dbraw/zinc/24/98/77/443249877.db2.gz XVZBDBXINYMSFD-MRXNPFEDSA-N 0 0 331.416 1.529 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C ZINC000185757957 443251948 /nfs/dbraw/zinc/25/19/48/443251948.db2.gz DLXNQAOIJZWSBI-CYBMUJFWSA-N 0 0 329.404 1.264 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185779670 443255686 /nfs/dbraw/zinc/25/56/86/443255686.db2.gz KLPVPQDLZTYDRE-NSHDSACASA-N 0 0 339.346 1.831 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1nc(C)cs1 ZINC000246178373 443276045 /nfs/dbraw/zinc/27/60/45/443276045.db2.gz FMJMADRLUOHZIC-VXGBXAGGSA-N 0 0 345.490 1.833 10 0 EDAERN Cc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000185890930 443277252 /nfs/dbraw/zinc/27/72/52/443277252.db2.gz BUQWKTLNHZWKEW-KRWDZBQOSA-N 0 0 340.427 1.727 10 0 EDAERN COCCN(C)c1ccc(CN[C@H](C)c2nnc3n2CCCC3)cn1 ZINC000191230048 443262347 /nfs/dbraw/zinc/26/23/47/443262347.db2.gz QPRYAMXYPXMGEC-CQSZACIVSA-N 0 0 344.463 1.943 10 0 EDAERN CC(C)c1nn(C)cc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746148 444133401 /nfs/dbraw/zinc/13/34/01/444133401.db2.gz VROHQLBVNOXILV-PSASIEDQSA-N 0 0 332.326 1.279 10 0 EDAERN NC(=O)[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C(F)(F)F ZINC000299739773 444128787 /nfs/dbraw/zinc/12/87/87/444128787.db2.gz AURBQIURACUCLT-RKDXNWHRSA-N 0 0 338.289 1.366 10 0 EDAERN Cc1ccc(F)c(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c1 ZINC000577130625 321625832 /nfs/dbraw/zinc/62/58/32/321625832.db2.gz IGSVWMJPSRHLMS-BLLLJJGKSA-N 0 0 344.390 1.817 10 0 EDAERN Cc1ncccc1O[C@H]1CCN(S(=O)(=O)CCOC(C)C)C1 ZINC000328638898 444407821 /nfs/dbraw/zinc/40/78/21/444407821.db2.gz WSGVZBAMPVODGY-AWEZNQCLSA-N 0 0 328.434 1.598 10 0 EDAERN NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)c1 ZINC000328620282 444397218 /nfs/dbraw/zinc/39/72/18/444397218.db2.gz GVNXQSBRXPEUKH-LLVKDONJSA-N 0 0 334.401 1.307 10 0 EDAERN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)COc1cccc(F)c1 ZINC000337958107 444471549 /nfs/dbraw/zinc/47/15/49/444471549.db2.gz TZXXOZYSNHPDML-CXAGYDPISA-N 0 0 346.362 1.074 10 0 EDAERN COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)Cc2cccc(OC)n2)c1 ZINC000337529031 445121539 /nfs/dbraw/zinc/12/15/39/445121539.db2.gz ZJVLFAJUOLJBJO-WBVHZDCISA-N 0 0 342.395 1.976 10 0 EDAERN CC(C)(C)OC(=O)c1cn(C[C@@H](O)COCc2ccccc2)nn1 ZINC000498050903 448076311 /nfs/dbraw/zinc/07/63/11/448076311.db2.gz YUYNKVYTMHOXPV-CQSZACIVSA-N 0 0 333.388 1.811 10 0 EDAERN CC(=O)N1C[C@@H](NS(=O)(=O)CC2CC2)CC[C@@H]1C(F)(F)F ZINC000583616406 448443869 /nfs/dbraw/zinc/44/38/69/448443869.db2.gz NWOWZRRLDGJVHJ-WDEREUQCSA-N 0 0 328.356 1.258 10 0 EDAERN CC(C)c1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)n(C)n1 ZINC000583618877 448448607 /nfs/dbraw/zinc/44/86/07/448448607.db2.gz WLGNFBQZYLLPBS-QGZVFWFLSA-N 0 0 346.435 1.450 10 0 EDAERN CN1C[C@@H](NC(=O)c2ccc3nncn3c2)CC[C@@H]1C(F)(F)F ZINC000583620035 448450601 /nfs/dbraw/zinc/45/06/01/448450601.db2.gz LICKBDIDDXCFLY-WDEREUQCSA-N 0 0 327.310 1.484 10 0 EDAERN COC(=O)c1sc2cnc(S(C)(=O)=O)nc2c1-c1ccccn1 ZINC000584655958 448590414 /nfs/dbraw/zinc/59/04/14/448590414.db2.gz DSZBRYUOVRWXLY-UHFFFAOYSA-N 0 0 349.393 1.943 10 0 EDAERN CCc1nnc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)o1 ZINC000548336289 449022361 /nfs/dbraw/zinc/02/23/61/449022361.db2.gz FKRXVEWUFMKKMB-HNNXBMFYSA-N 0 0 335.433 1.634 10 0 EDAERN O=C(NC1CC(CO)C1)c1ccc(I)c(O)c1 ZINC000598527117 449445269 /nfs/dbraw/zinc/44/52/69/449445269.db2.gz FNIRUXTZKPXHCA-UHFFFAOYSA-N 0 0 347.152 1.498 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)NCCc2ccc[nH]2)[C@H]1c1nccn1C ZINC000613129594 450037202 /nfs/dbraw/zinc/03/72/02/450037202.db2.gz SEIRWDVZHCPIHW-HOCLYGCPSA-N 0 0 343.431 1.407 10 0 EDAERN CO[C@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1O ZINC000616586673 450453769 /nfs/dbraw/zinc/45/37/69/450453769.db2.gz AZOVMVLHSPFVLQ-KKOKHZNYSA-N 0 0 332.393 1.266 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1ccccc1C(=O)[O-] ZINC000616635662 450456091 /nfs/dbraw/zinc/45/60/91/450456091.db2.gz DSCKXJJXTQBYKA-OAHLLOKOSA-N 0 0 349.431 1.856 10 0 EDAERN CCOC(=O)c1ccccc1[C@@H]1COCCCN1S(C)(=O)=O ZINC000616647944 450457660 /nfs/dbraw/zinc/45/76/60/450457660.db2.gz IMHSZXQTNMJUFQ-AWEZNQCLSA-N 0 0 327.402 1.586 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ncccc1Br ZINC000633919778 451096544 /nfs/dbraw/zinc/09/65/44/451096544.db2.gz HELLZBAKJXJVEY-JTQLQIEISA-N 0 0 328.210 1.247 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccc(Br)c(O)c1 ZINC000633921902 451100187 /nfs/dbraw/zinc/10/01/87/451100187.db2.gz UBPLYHLLACRHBP-LLVKDONJSA-N 0 0 343.221 1.557 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)CN3CCc4ccccc43)C[C@@H](C)O2)n1 ZINC000628857130 451440923 /nfs/dbraw/zinc/44/09/23/451440923.db2.gz FLFFSYBSFKDGQG-MLGOLLRUSA-N 0 0 342.399 1.729 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000644118767 453056669 /nfs/dbraw/zinc/05/66/69/453056669.db2.gz XRLARXIQAZLEHM-OLZOCXBDSA-N 0 0 329.356 1.670 10 0 EDAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCc2c(Cl)cccc2C1 ZINC000644368884 453363034 /nfs/dbraw/zinc/36/30/34/453363034.db2.gz USILXUOESCKZOM-OAHLLOKOSA-N 0 0 336.819 1.598 10 0 EDAERN CO[C@@H]1CN(C(=O)Nc2cccc(C3CC3)n2)C[C@H]1c1cn[nH]n1 ZINC000667145247 453436227 /nfs/dbraw/zinc/43/62/27/453436227.db2.gz GUBGCBRRIGZATG-SMDDNHRTSA-N 0 0 328.376 1.723 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)NCCc1ccc2[nH]ccc2c1 ZINC000644463474 453488306 /nfs/dbraw/zinc/48/83/06/453488306.db2.gz RHQWAIBXVPVGHJ-INIZCTEOSA-N 0 0 329.400 1.200 10 0 EDAERN CCn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccoc1 ZINC000657076627 453665341 /nfs/dbraw/zinc/66/53/41/453665341.db2.gz NGYOAQSDIZHQJK-SWLSCSKDSA-N 0 0 339.417 1.942 10 0 EDAERN Cc1cc(C)n(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000053176963 487404896 /nfs/dbraw/zinc/40/48/96/487404896.db2.gz YLWBZROMIUMJPO-ZDUSSCGKSA-N 0 0 335.429 1.781 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@H](CC(N)=O)CC2)c(C)c1 ZINC000671414795 486477999 /nfs/dbraw/zinc/47/79/99/486477999.db2.gz VIJHTTGRVSKWNA-ZDUSSCGKSA-N 0 0 340.445 1.670 10 0 EDAERN Cn1cc([C@H]2CN(c3ncnc4ccc(F)cc43)C[C@@H]2C(N)=O)cn1 ZINC000671475800 486609122 /nfs/dbraw/zinc/60/91/22/486609122.db2.gz OWQOGTTYCYTIHW-KGLIPLIRSA-N 0 0 340.362 1.208 10 0 EDAERN COC[C@H](NC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1)C1CC1 ZINC000119885037 490996485 /nfs/dbraw/zinc/99/64/85/490996485.db2.gz MNUYXXPCRJDGJC-HOTGVXAUSA-N 0 0 336.436 1.335 10 0 EDAERN COC(=O)Cn1ccc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000187441828 533827658 /nfs/dbraw/zinc/82/76/58/533827658.db2.gz MSFPFUIEHHSHTA-QWHCGFSZSA-N 0 0 330.388 1.734 10 0 EDAERN C[C@@H]1CCC[C@H](C[NH3+])N1c1nc[n-]c(=O)c1I ZINC000164341431 533840825 /nfs/dbraw/zinc/84/08/25/533840825.db2.gz TWUAZLFYOOAGFB-HTQZYQBOSA-N 0 0 348.188 1.081 10 0 EDAERN COc1cc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccc1C ZINC000171903954 533843237 /nfs/dbraw/zinc/84/32/37/533843237.db2.gz HUQOMEHHMZVUTR-MRXNPFEDSA-N 0 0 344.415 1.811 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3cscn3)C2=O)n(C)n1 ZINC000176142080 533895940 /nfs/dbraw/zinc/89/59/40/533895940.db2.gz ZOUQURZFURWKOI-LBPRGKRZSA-N 0 0 348.432 1.180 10 0 EDAERN COc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1F ZINC000157667952 533977537 /nfs/dbraw/zinc/97/75/37/533977537.db2.gz NSHOFSKXTZLMMI-NOZJJQNGSA-N 0 0 342.342 1.579 10 0 EDAERN C[C@@H]([C@H](Cc1cccc(F)c1Br)NN)S(C)(=O)=O ZINC000160053328 534038199 /nfs/dbraw/zinc/03/81/99/534038199.db2.gz DHJHHGGXTBGIQK-XVKPBYJWSA-N 0 0 339.230 1.396 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1cccc2cc(N)ccc21)[S@](C)=O ZINC000165526612 534074785 /nfs/dbraw/zinc/07/47/85/534074785.db2.gz SDSKSWZNZQVHOO-WVDJIFEKSA-N 0 0 326.443 1.467 10 0 EDAERN C[C@@H](CNc1nc(C(F)(F)F)ccc1C(N)=S)[S@](C)=O ZINC000165373420 534096476 /nfs/dbraw/zinc/09/64/76/534096476.db2.gz DNNKORNTNLCJQS-SXPOAWKSSA-N 0 0 325.381 1.914 10 0 EDAERN C[C@@H](CO)Cn1cnc(Cl)c(I)c1=O ZINC000166346501 534113046 /nfs/dbraw/zinc/11/30/46/534113046.db2.gz YVFGNIYALPIIQY-RXMQYKEDSA-N 0 0 328.537 1.130 10 0 EDAERN COC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1cc(C)oc1C)C(C)C ZINC000174628255 534139666 /nfs/dbraw/zinc/13/96/66/534139666.db2.gz QRZIEBUDIZDSEL-CZUORRHYSA-N 0 0 326.393 1.601 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171397079 534165899 /nfs/dbraw/zinc/16/58/99/534165899.db2.gz YJMWYTZUFKIFOQ-CQSZACIVSA-N 0 0 328.372 1.731 10 0 EDAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1N ZINC000149151656 534197715 /nfs/dbraw/zinc/19/77/15/534197715.db2.gz CBTUYPLHLUFAEU-OIBJUYFYSA-N 0 0 335.223 1.487 10 0 EDAERN CC(=O)c1ccc(N2CCS(=O)(=O)CC2)c(Br)c1 ZINC000061693725 517366747 /nfs/dbraw/zinc/36/67/47/517366747.db2.gz MYMZNQPRNVIQII-UHFFFAOYSA-N 0 0 332.219 1.887 10 0 EDAERN O=C(Nc1cccc(-c2ncco2)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000153409278 534317455 /nfs/dbraw/zinc/31/74/55/534317455.db2.gz GPJGPDGBKOSMNI-HIFRSBDPSA-N 0 0 343.383 1.947 10 0 EDAERN O=C(Nc1cccc(-c2ncco2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000153409170 534318085 /nfs/dbraw/zinc/31/80/85/534318085.db2.gz GPJGPDGBKOSMNI-UKRRQHHQSA-N 0 0 343.383 1.947 10 0 EDAERN CC(=O)NCC(=O)NCC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000123563412 534333052 /nfs/dbraw/zinc/33/30/52/534333052.db2.gz IJFUEDKKYZHPCZ-QGZVFWFLSA-N 0 0 331.416 1.069 10 0 EDAERN Cc1nc(CNS(=O)(=O)c2cc(C)c(F)c(CO)c2)cs1 ZINC000159002287 534389851 /nfs/dbraw/zinc/38/98/51/534389851.db2.gz ZVISJTDDZGZBDI-UHFFFAOYSA-N 0 0 330.406 1.870 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@@H](C)C2 ZINC000181453174 534445571 /nfs/dbraw/zinc/44/55/71/534445571.db2.gz WYYGELQJYIOGNU-DDUYRFODSA-N 0 0 331.416 1.560 10 0 EDAERN NC(=O)c1cnn(-c2cccc(Br)c2C(N)=S)c1 ZINC000168813550 534512173 /nfs/dbraw/zinc/51/21/73/534512173.db2.gz RUFSPLDMXFJMTD-UHFFFAOYSA-N 0 0 325.191 1.368 10 0 EDAERN O=C(CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)NCC(F)(F)F ZINC000163811660 534565683 /nfs/dbraw/zinc/56/56/83/534565683.db2.gz MTPIIXGCRFFXGJ-MFKMUULPSA-N 0 0 337.342 1.002 10 0 EDAERN [NH3+]C1CCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000165607168 534569744 /nfs/dbraw/zinc/56/97/44/534569744.db2.gz LFBKAFYDRCBNTG-UHFFFAOYSA-N 0 0 336.772 1.289 10 0 EDAERN O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159300782 534583934 /nfs/dbraw/zinc/58/39/34/534583934.db2.gz ZOYXYRGVOSQQJH-VWYCJHECSA-N 0 0 342.383 1.984 10 0 EDAERN [NH3+]CCOc1ccc(Nc2nc[n-]c(=O)c2Br)cc1 ZINC000164512642 534637677 /nfs/dbraw/zinc/63/76/77/534637677.db2.gz RTEYVSZNAZTQKK-UHFFFAOYSA-N 0 0 325.166 1.614 10 0 EDAERN CN(C[C@H]1CCCO1)C(=O)NCCN1CCc2ccccc2C1=O ZINC000188681165 523122567 /nfs/dbraw/zinc/12/25/67/523122567.db2.gz RHIXFLXJGKDSET-OAHLLOKOSA-N 0 0 331.416 1.505 10 0 EDAERN CC(C)(C)NC(=O)NC(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000195521231 534708946 /nfs/dbraw/zinc/70/89/46/534708946.db2.gz VCIJZUMJRSYUOX-JTQLQIEISA-N 0 0 326.422 1.141 10 0 EDAERN O=S1(=O)CC[C@@H](C(CO)(CO)Cc2ccc(Cl)cc2F)C1 ZINC000164822942 534876941 /nfs/dbraw/zinc/87/69/41/534876941.db2.gz GPASMDUUGVOWCY-LLVKDONJSA-N 0 0 336.812 1.427 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246388591 534890670 /nfs/dbraw/zinc/89/06/70/534890670.db2.gz IRIFTSAUYAUQJY-KBXCAEBGSA-N 0 0 345.443 1.480 10 0 EDAERN CC(C)(C)NC(=O)CNCc1ccc(I)o1 ZINC000168502025 526312717 /nfs/dbraw/zinc/31/27/17/526312717.db2.gz SDNJGJVYDNFOMP-UHFFFAOYSA-N 0 0 336.173 1.889 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000173814081 526802054 /nfs/dbraw/zinc/80/20/54/526802054.db2.gz UQKTVXSFCVLLSV-KSSFIOAISA-N 0 0 345.443 1.115 10 0 EDAERN CCC[C@@H]1NC(=O)[C@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168883542 527871092 /nfs/dbraw/zinc/87/10/92/527871092.db2.gz PNVPBQYUBZNABZ-CABZTGNLSA-N 0 0 340.221 1.860 10 0 EDAERN CC(C)c1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)nn1C ZINC000174246108 528039279 /nfs/dbraw/zinc/03/92/79/528039279.db2.gz CSWIJWKEPBCZCA-ZDUSSCGKSA-N 0 0 328.420 1.732 10 0 EDAERN CCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)C(C)C)cc1 ZINC000152580007 528383286 /nfs/dbraw/zinc/38/32/86/528383286.db2.gz PDIDYRJJTNYSNM-LBPRGKRZSA-N 0 0 327.450 1.829 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)nnn3C)CC2 ZINC000171557565 528476044 /nfs/dbraw/zinc/47/60/44/528476044.db2.gz RLUZMEMUKKKWFE-LBPRGKRZSA-N 0 0 339.403 1.428 10 0 EDAERN CCN(CCS(C)(=O)=O)C(=O)N[C@H]1CCOc2ccccc21 ZINC000178718851 528579926 /nfs/dbraw/zinc/57/99/26/528579926.db2.gz RNCRQKUFGSYMMC-ZDUSSCGKSA-N 0 0 326.418 1.586 10 0 EDAERN CC(C)[C@@H]1C(=O)N[C@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168876928 528646721 /nfs/dbraw/zinc/64/67/21/528646721.db2.gz RLAUBFBSCZDHOY-BXKDBHETSA-N 0 0 340.221 1.716 10 0 EDAERN CC(C)Cc1nnc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)s1 ZINC000173777111 528676909 /nfs/dbraw/zinc/67/69/09/528676909.db2.gz AEAMVJWKGMVUIL-GFCCVEGCSA-N 0 0 339.465 1.675 10 0 EDAERN CCCn1ncc(Br)c1C(=O)[C@H](N)c1cnn(C)c1 ZINC000164625762 528877864 /nfs/dbraw/zinc/87/78/64/528877864.db2.gz RRBFSZDPJUQQPJ-SNVBAGLBSA-N 0 0 326.198 1.672 10 0 EDAERN CC1(C)CC(=O)c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000170580760 528879673 /nfs/dbraw/zinc/87/96/73/528879673.db2.gz IKKKLMBAGCTCHE-NSHDSACASA-N 0 0 337.397 1.347 10 0 EDAERN CCC[C@@H](NC(=O)Cc1nc2ncccn2n1)C(=O)OC(C)(C)C ZINC000183635963 528977360 /nfs/dbraw/zinc/97/73/60/528977360.db2.gz LQKADCXQQSAMAC-LLVKDONJSA-N 0 0 333.392 1.293 10 0 EDAERN CC1(C)CN(C(=O)c2cc(Br)cnc2N)C[C@H](CO)O1 ZINC000163889981 529101615 /nfs/dbraw/zinc/10/16/15/529101615.db2.gz DIDGBVYUDREBQU-SECBINFHSA-N 0 0 344.209 1.038 10 0 EDAERN CC[C@H](C)NC(=O)CS(=O)(=O)c1ccc(Br)cc1N ZINC000165770043 529160321 /nfs/dbraw/zinc/16/03/21/529160321.db2.gz VNSBQAKZTZAYBV-QMMMGPOBSA-N 0 0 349.250 1.720 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)c2nccs2)CC1 ZINC000187029910 529226978 /nfs/dbraw/zinc/22/69/78/529226978.db2.gz YGRGFJQINHPLIQ-QWHCGFSZSA-N 0 0 326.466 1.345 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)n(C)n1 ZINC000093221239 535401504 /nfs/dbraw/zinc/40/15/04/535401504.db2.gz ABYOHRAFZCILMT-AWEZNQCLSA-N 0 0 333.436 1.008 10 0 EDAERN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000092350409 535494141 /nfs/dbraw/zinc/49/41/41/535494141.db2.gz IEHXWCBZWUTRLO-CFRMROPGSA-N 0 0 344.458 1.001 10 0 EDAERN CCO[C@H](C)c1noc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 ZINC000252463311 535578230 /nfs/dbraw/zinc/57/82/30/535578230.db2.gz WGUBLFUOUGXPIU-HUUCEWRRSA-N 0 0 349.435 1.881 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000131257388 535787633 /nfs/dbraw/zinc/78/76/33/535787633.db2.gz MCNFXSSSRYBBAL-SUMWQHHRSA-N 0 0 325.453 1.485 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@H](COC)C1 ZINC000247074911 535971841 /nfs/dbraw/zinc/97/18/41/535971841.db2.gz WSCRHNFMFVBKBK-UAGQMJEPSA-N 0 0 348.443 1.705 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000246229190 535973020 /nfs/dbraw/zinc/97/30/20/535973020.db2.gz REVFAMOFLMTTQC-IMJJTQAJSA-N 0 0 347.459 1.718 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(CCOC)nn1C ZINC000127589770 536160400 /nfs/dbraw/zinc/16/04/00/536160400.db2.gz MHVODLRCRYJYJB-LBPRGKRZSA-N 0 0 347.423 1.420 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(=O)NC)cc1 ZINC000088348809 536160589 /nfs/dbraw/zinc/16/05/89/536160589.db2.gz QHXUCBYYULHCER-ZDUSSCGKSA-N 0 0 342.403 1.857 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C(C)C ZINC000179083418 536378038 /nfs/dbraw/zinc/37/80/38/536378038.db2.gz BUVDHRCNWINJPK-LLVKDONJSA-N 0 0 329.759 1.304 10 0 EDAERN CN[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1cnn(C)c1 ZINC000262018069 536386038 /nfs/dbraw/zinc/38/60/38/536386038.db2.gz CPTDNAKDXBZMEX-HWPZZCPQSA-N 0 0 327.388 1.053 10 0 EDAERN CN[C@H](C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1)c1cnn(C)c1 ZINC000262056233 536388292 /nfs/dbraw/zinc/38/82/92/536388292.db2.gz HZFGDBMXZFWBMV-ABAIWWIYSA-N 0 0 345.403 1.293 10 0 EDAERN COc1ccc(C(=O)[N-]C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247298997 536734803 /nfs/dbraw/zinc/73/48/03/536734803.db2.gz UPFVNCZFLYYFRG-HNAYVOBHSA-N 0 0 346.427 1.579 10 0 EDAERN COc1ccc(C(=O)[N-]C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247299010 536735235 /nfs/dbraw/zinc/73/52/35/536735235.db2.gz UPFVNCZFLYYFRG-KXBFYZLASA-N 0 0 346.427 1.579 10 0 EDAERN COCCN1CCN(C(=O)C[C@H]2c3ccccc3NC2=O)C[C@@H]1C ZINC000247205200 536865202 /nfs/dbraw/zinc/86/52/02/536865202.db2.gz UGBJLRNVVUWLLF-ZFWWWQNUSA-N 0 0 331.416 1.292 10 0 EDAERN COc1ccccc1C(=O)NC[C@H]1CN(c2ccccc2)C(=O)CO1 ZINC000041401356 536997944 /nfs/dbraw/zinc/99/79/44/536997944.db2.gz QGBOEQJRIRDENZ-HNNXBMFYSA-N 0 0 340.379 1.857 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)NCc2ccccc2F)C1 ZINC000888077600 590933939 /nfs/dbraw/zinc/93/39/39/590933939.db2.gz KPUHDPGVNXOXEK-UKRRQHHQSA-N 0 0 332.379 1.627 10 0 EDAERN O[C@H](COc1ccccc1)CN1CCN(c2nccnc2Cl)CC1 ZINC000892379285 591001631 /nfs/dbraw/zinc/00/16/31/591001631.db2.gz CLLYIFVVOFFQCQ-AWEZNQCLSA-N 0 0 348.834 1.692 10 0 EDAERN COc1ccccc1CCC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888094522 591024543 /nfs/dbraw/zinc/02/45/43/591024543.db2.gz YSZJDVTUXACRTJ-DOTOQJQBSA-N 0 0 345.399 1.324 10 0 EDAERN Cc1ccccc1OCCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888095173 591025420 /nfs/dbraw/zinc/02/54/20/591025420.db2.gz LTNWKSCUDZWGQD-QOKNQOGYSA-N 0 0 346.427 1.706 10 0 EDAERN CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)C1CC(C(C)(C)C)C1 ZINC000818371614 593695111 /nfs/dbraw/zinc/69/51/11/593695111.db2.gz YUXPYBQQDJPBGD-WXRRBKDZSA-N 0 0 333.436 1.116 10 0 EDAERN COC[C@@H](C)C(=O)OCCNC(=O)c1cncc(Br)c1 ZINC000118160593 595940361 /nfs/dbraw/zinc/94/03/61/595940361.db2.gz HPRYNTDCUKJKCE-SECBINFHSA-N 0 0 345.193 1.400 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3cc(Br)cn3)CCO2)c1 ZINC000112071691 596016634 /nfs/dbraw/zinc/01/66/34/596016634.db2.gz BEBITXDROSSMFY-ZDUSSCGKSA-N 0 0 340.225 1.509 10 0 EDAERN CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)/C=C/c1ccccc1 ZINC000112708322 596212012 /nfs/dbraw/zinc/21/20/12/596212012.db2.gz USUFAHSLFUAZMQ-OCHBPSSRSA-N 0 0 331.459 1.742 10 0 EDAERN CN(C)c1nc([C@H]2CCN(C(=O)CCc3cccnc3)C2)cc(=O)[nH]1 ZINC000864843353 596384937 /nfs/dbraw/zinc/38/49/37/596384937.db2.gz QNMSJKSJXSTWTQ-AWEZNQCLSA-N 0 0 341.415 1.592 10 0 EDAERN Cc1ocnc1C(=O)N1CC[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000864858103 596391163 /nfs/dbraw/zinc/39/11/63/596391163.db2.gz JIOPXMILMAXZCE-GFCCVEGCSA-N 0 0 343.387 1.709 10 0 EDAERN CCCn1cnnc1COC(=O)Cn1ccc(=O)c2ccccc21 ZINC000124193390 597016028 /nfs/dbraw/zinc/01/60/28/597016028.db2.gz RHLMUQJJTOZVIH-UHFFFAOYSA-N 0 0 326.356 1.746 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1nc(C)c(C)o1 ZINC000128032023 597731038 /nfs/dbraw/zinc/73/10/38/597731038.db2.gz ARHRVBJAIXQXQJ-GFCCVEGCSA-N 0 0 330.406 1.539 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)C(F)(F)C3(O)CCC3)CC2)n1 ZINC000154747432 697176926 /nfs/dbraw/zinc/17/69/26/697176926.db2.gz YTBZIKNRPXLKLH-JTQLQIEISA-N 0 0 344.362 1.134 10 0 EDAERN CCn1c(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2[n-]c1=S ZINC000170856036 698288211 /nfs/dbraw/zinc/28/82/11/698288211.db2.gz HCXGJKKZUOHUSQ-GFCCVEGCSA-N 0 0 346.456 1.481 10 0 EDAERN CCn1c(C)nnc1CN(C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000180372379 698806531 /nfs/dbraw/zinc/80/65/31/698806531.db2.gz RROUMJGXESCVBY-UHFFFAOYSA-N 0 0 329.813 1.476 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@](C)(O)c1cccc(Cl)c1)C(C)C ZINC000184247007 703082904 /nfs/dbraw/zinc/08/29/04/703082904.db2.gz LDOPDBSLVAOJNF-CJNGLKHVSA-N 0 0 341.839 1.617 10 0 EDAERN Cc1c(N)cc(S(=O)(=O)N[C@@H](C)c2nncn2C)cc1Cl ZINC000050225866 214051139 /nfs/dbraw/zinc/05/11/39/214051139.db2.gz KQEXCZHEMLSPHV-QMMMGPOBSA-N 0 0 329.813 1.399 10 0 EDAERN C[C@H](O)c1ccccc1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351532 214052989 /nfs/dbraw/zinc/05/29/89/214052989.db2.gz BTHIGHRLMJTBAV-JTQLQIEISA-N 0 0 333.431 1.059 10 0 EDAERN C[C@H](CC(N)=S)NS(=O)(=O)c1ccc(Br)cc1 ZINC000050390908 214055597 /nfs/dbraw/zinc/05/55/97/214055597.db2.gz VOZZIUPFWXSYNN-SSDOTTSWSA-N 0 0 337.264 1.792 10 0 EDAERN CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](C)CC ZINC000050637490 214063285 /nfs/dbraw/zinc/06/32/85/214063285.db2.gz ZMSQMVHMOIHHHZ-SNVBAGLBSA-N 0 0 334.463 1.599 10 0 EDAERN Nc1ccc(Cl)c(-c2nnnn2C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000050604475 214060800 /nfs/dbraw/zinc/06/08/00/214060800.db2.gz LZTFBTPBZGSNHO-QMMMGPOBSA-N 0 0 327.797 1.010 10 0 EDAERN Cc1cc(CNS(=O)(=O)c2cc(Br)cnc2N)on1 ZINC000050675140 214065740 /nfs/dbraw/zinc/06/57/40/214065740.db2.gz FTKBQHCKQQGGDD-UHFFFAOYSA-N 0 0 347.194 1.201 10 0 EDAERN Nc1ncccc1S(=O)(=O)NCc1ccccc1Br ZINC000050673687 214065837 /nfs/dbraw/zinc/06/58/37/214065837.db2.gz UNKSXYUOHXBSGI-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN O=S(=O)(CCn1cc(CO)nn1)c1ccc(Br)cc1 ZINC000052222183 214122977 /nfs/dbraw/zinc/12/29/77/214122977.db2.gz MGAPCOXMZPJQSO-UHFFFAOYSA-N 0 0 346.206 1.007 10 0 EDAERN O=S(=O)(c1cncc(Br)c1)N1CCC[C@H]1CCCO ZINC000052760705 214143425 /nfs/dbraw/zinc/14/34/25/214143425.db2.gz RUYRBMJRKNYNJV-NSHDSACASA-N 0 0 349.250 1.770 10 0 EDAERN COCC[NH2+][C@H](C(=O)[O-])c1cc(Br)c2c(c1)OCCO2 ZINC000053260232 214173471 /nfs/dbraw/zinc/17/34/71/214173471.db2.gz FNOWHOGYRWFRFL-NSHDSACASA-N 0 0 346.177 1.582 10 0 EDAERN CNc1ncc(S(=O)(=O)NCc2ccc(F)c(Cl)c2)cn1 ZINC000053161806 214167725 /nfs/dbraw/zinc/16/77/25/214167725.db2.gz HJNDZHRGKIERJI-UHFFFAOYSA-N 0 0 330.772 1.789 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)C(N)=S ZINC000054154341 214220960 /nfs/dbraw/zinc/22/09/60/214220960.db2.gz ILTGJEGOPZNHPF-ZETCQYMHSA-N 0 0 337.264 1.650 10 0 EDAERN C[C@@H](CNC(=O)c1cnc(-c2ccncc2)s1)N1CCOCC1 ZINC000172848350 230834939 /nfs/dbraw/zinc/83/49/39/230834939.db2.gz FDWAPSZVSKFDJL-LBPRGKRZSA-N 0 0 332.429 1.656 10 0 EDAERN CC[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000182390964 529391344 /nfs/dbraw/zinc/39/13/44/529391344.db2.gz SETAELAFQIQQEG-HUUCEWRRSA-N 0 0 346.452 1.976 10 0 EDAERN Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1csc(N)n1 ZINC000055271881 214298735 /nfs/dbraw/zinc/29/87/35/214298735.db2.gz FXBGLCRKHPJKLM-UHFFFAOYSA-N 0 0 325.415 1.618 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)[nH]1 ZINC000173736792 231019399 /nfs/dbraw/zinc/01/93/99/231019399.db2.gz DGUUXDVOCBAQEQ-NSHDSACASA-N 0 0 326.353 1.014 10 0 EDAERN C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000173806278 231039956 /nfs/dbraw/zinc/03/99/56/231039956.db2.gz UZZCMSYQKVYRKS-DYVFJYSZSA-N 0 0 326.400 1.423 10 0 EDAERN C[C@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000173836675 231047864 /nfs/dbraw/zinc/04/78/64/231047864.db2.gz QFCWCRJOQUGNRO-YJBOKZPZSA-N 0 0 327.428 1.820 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCC2)O1)N[C@H]1CCCn2ncnc21 ZINC000180886755 295674078 /nfs/dbraw/zinc/67/40/78/295674078.db2.gz ODJJUSPJBMUKNB-OLZOCXBDSA-N 0 0 335.408 1.488 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)C[C@@H]1N1CCOCC1 ZINC000173957756 231080621 /nfs/dbraw/zinc/08/06/21/231080621.db2.gz LPJVCKOKSCVXDU-KSSFIOAISA-N 0 0 342.439 1.537 10 0 EDAERN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000154694917 529406527 /nfs/dbraw/zinc/40/65/27/529406527.db2.gz WGZWQNHUZKACDE-VXGBXAGGSA-N 0 0 342.486 1.850 10 0 EDAERN Cc1ccc(C(=O)CCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174285446 231166207 /nfs/dbraw/zinc/16/62/07/231166207.db2.gz MFJPHTXTCSRJJE-HZPDHXFCSA-N 0 0 332.444 1.871 10 0 EDAERN Cc1n[nH]c(C)c1N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000056937838 214396477 /nfs/dbraw/zinc/39/64/77/214396477.db2.gz CUNNQMKMWVOLHQ-UHFFFAOYSA-N 0 0 331.395 1.926 10 0 EDAERN CC[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1cccc(F)c1 ZINC000187485009 529478553 /nfs/dbraw/zinc/47/85/53/529478553.db2.gz UCMRJNJKLLFAKT-HNNXBMFYSA-N 0 0 349.406 1.903 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc3n[nH]cc3c2)cn1 ZINC000174836182 231321068 /nfs/dbraw/zinc/32/10/68/231321068.db2.gz XCSATTKQSRBJET-HNNXBMFYSA-N 0 0 338.371 1.599 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CC3(Cl)Cl)C2=O)n(C)n1 ZINC000174990699 231360920 /nfs/dbraw/zinc/36/09/20/231360920.db2.gz YXMSMEGSRGLIQB-NXEZZACHSA-N 0 0 345.230 1.534 10 0 EDAERN CN(C)C(=O)N1CCC(C(=O)N2CCC(Cn3cccn3)CC2)CC1 ZINC000125904096 222625390 /nfs/dbraw/zinc/62/53/90/222625390.db2.gz LXMJIULBOGWPJG-UHFFFAOYSA-N 0 0 347.463 1.515 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000165564445 529672812 /nfs/dbraw/zinc/67/28/12/529672812.db2.gz UCDPEBQDZPFBCK-GFCCVEGCSA-N 0 0 341.415 1.993 10 0 EDAERN O=C(c1nnc(-c2ccc(F)cc2)o1)N1CCC2(CC1)OCCO2 ZINC000049686353 214026181 /nfs/dbraw/zinc/02/61/81/214026181.db2.gz HWJPMPGCXXDMNN-UHFFFAOYSA-N 0 0 333.319 1.855 10 0 EDAERN Cc1cc(C)cc(C(=O)NCC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000175820912 231516868 /nfs/dbraw/zinc/51/68/68/231516868.db2.gz PVTFVPGVIBEKRP-AWEZNQCLSA-N 0 0 327.388 1.276 10 0 EDAERN COc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N(C)C)C2)cc1 ZINC000059354115 214617851 /nfs/dbraw/zinc/61/78/51/214617851.db2.gz ULLYHFUDOUQZDS-NSHDSACASA-N 0 0 327.406 1.029 10 0 EDAERN COc1ccc(Br)cc1N[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000049566760 214019821 /nfs/dbraw/zinc/01/98/21/214019821.db2.gz FBJLRTQRKSFNJO-UWVGGRQHSA-N 0 0 336.207 1.028 10 0 EDAERN COC(=O)[C@H]1C[C@@H](Oc2ccc(OC)cc2Br)CN1 ZINC000098089236 219081638 /nfs/dbraw/zinc/08/16/38/219081638.db2.gz DNFAPEBPCQRHKT-MWLCHTKSSA-N 0 0 330.178 1.740 10 0 EDAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCn1cc(C)cn1 ZINC000135110673 529700735 /nfs/dbraw/zinc/70/07/35/529700735.db2.gz SVYLAFUDKPBZPI-UHFFFAOYSA-N 0 0 335.429 1.587 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](C)c3ccccn3)CCO2)[nH]1 ZINC000177870385 529700864 /nfs/dbraw/zinc/70/08/64/529700864.db2.gz HGGDCJVNJWUIJO-DGCLKSJQSA-N 0 0 330.392 1.606 10 0 EDAERN Cc1ccc(C(=O)NCCn2c3ccccc3[nH]c(=O)c2=O)cc1C ZINC000062026736 214695081 /nfs/dbraw/zinc/69/50/81/214695081.db2.gz RXNSVCJBJSMMQI-UHFFFAOYSA-N 0 0 337.379 1.737 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1c(C)ccn(C)c1=O ZINC000155098509 529749966 /nfs/dbraw/zinc/74/99/66/529749966.db2.gz SVYOTXIYXOJGEI-NSHDSACASA-N 0 0 330.392 1.504 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000151580227 529750058 /nfs/dbraw/zinc/75/00/58/529750058.db2.gz QBGZJVLYLQYQFK-QWRGUYRKSA-N 0 0 347.444 1.672 10 0 EDAERN CN1CCO[C@H](CS(=O)(=O)c2ccc(Br)cc2N)C1 ZINC000165761463 529790209 /nfs/dbraw/zinc/79/02/09/529790209.db2.gz LCEAAHYLNAJCOE-JTQLQIEISA-N 0 0 349.250 1.136 10 0 EDAERN C[C@@H](CNC(=O)c1cccc(OCC(F)F)n1)N1CCOCC1 ZINC000089707952 539363308 /nfs/dbraw/zinc/36/33/08/539363308.db2.gz QIBKYRJUKBRINF-NSHDSACASA-N 0 0 329.347 1.176 10 0 EDAERN CNC(=O)Cn1cc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cn1 ZINC000186231041 529877216 /nfs/dbraw/zinc/87/72/16/529877216.db2.gz MVUJZCGAGIRNHA-QWHCGFSZSA-N 0 0 329.404 1.307 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000171538839 529902547 /nfs/dbraw/zinc/90/25/47/529902547.db2.gz HHSHEHFOHZSATQ-HNNXBMFYSA-N 0 0 344.415 1.233 10 0 EDAERN CN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177344907 529997769 /nfs/dbraw/zinc/99/77/69/529997769.db2.gz HMBJONCERAPEBA-AWEZNQCLSA-N 0 0 342.403 1.071 10 0 EDAERN C[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)C1 ZINC000134211483 530044952 /nfs/dbraw/zinc/04/49/52/530044952.db2.gz NHWRKGHSDKSNLO-LLVKDONJSA-N 0 0 345.852 1.536 10 0 EDAERN CN1CCN(C(=O)COc2cc(F)ccc2Br)CC1 ZINC000160255516 530068263 /nfs/dbraw/zinc/06/82/63/530068263.db2.gz PWNNPWNRNUAVCM-UHFFFAOYSA-N 0 0 331.185 1.741 10 0 EDAERN Cc1ccc([C@H](CNC(=O)CCn2cccn2)N2CCOCC2)s1 ZINC000177972593 232044937 /nfs/dbraw/zinc/04/49/37/232044937.db2.gz NIRAHTDQUBHPBS-HNNXBMFYSA-N 0 0 348.472 1.833 10 0 EDAERN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N1CCN2CCCC[C@H]2C1 ZINC000178381603 232150918 /nfs/dbraw/zinc/15/09/18/232150918.db2.gz GHGQFBFNQASMSW-HNNXBMFYSA-N 0 0 349.456 1.718 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000101741113 219160780 /nfs/dbraw/zinc/16/07/80/219160780.db2.gz FOQYQBCLADHNST-AWEZNQCLSA-N 0 0 332.404 1.698 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H](C)CC(C)C)C2=O)n(C)n1 ZINC000178622698 232314888 /nfs/dbraw/zinc/31/48/88/232314888.db2.gz OVRIYETULZDBRC-TZMCWYRMSA-N 0 0 335.452 1.958 10 0 EDAERN COC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000101895275 219170652 /nfs/dbraw/zinc/17/06/52/219170652.db2.gz GYUJYUSLJYDCNI-ZFWWWQNUSA-N 0 0 334.416 1.675 10 0 EDAERN COc1ccc([C@H](C)NS(=O)(=O)c2cn(C)c(C)n2)cc1OC ZINC000066100700 215010005 /nfs/dbraw/zinc/01/00/05/215010005.db2.gz YFCIXPSJXOKCKX-JTQLQIEISA-N 0 0 339.417 1.785 10 0 EDAERN CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cccc(C)c2)CC1 ZINC000044790741 213646971 /nfs/dbraw/zinc/64/69/71/213646971.db2.gz LCOFBMXRTFFNCG-UHFFFAOYSA-N 0 0 346.474 1.087 10 0 EDAERN NC(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1ccccc1F ZINC000685942013 539581188 /nfs/dbraw/zinc/58/11/88/539581188.db2.gz LCXLJXQIFDDGAZ-CQSZACIVSA-N 0 0 330.363 1.944 10 0 EDAERN COCCNC(=O)CN(C)c1cc(Br)ccc1C=O ZINC000042429424 213506010 /nfs/dbraw/zinc/50/60/10/213506010.db2.gz VLUPMIVCDRTKNS-UHFFFAOYSA-N 0 0 329.194 1.460 10 0 EDAERN CC(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)n(C)c1 ZINC000042039386 213476720 /nfs/dbraw/zinc/47/67/20/213476720.db2.gz VHSONBKKQJPCGT-AWEZNQCLSA-N 0 0 346.408 1.876 10 0 EDAERN COc1ccc2c(ncnc2N(C)[C@@H]2CCS(=O)(=O)C2)c1OC ZINC000041475028 213449028 /nfs/dbraw/zinc/44/90/28/213449028.db2.gz BTUDJQBHFFIUMS-SNVBAGLBSA-N 0 0 337.401 1.270 10 0 EDAERN CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)cc1 ZINC000041267798 213437200 /nfs/dbraw/zinc/43/72/00/213437200.db2.gz RDDFUTJXHUZJSI-LBPRGKRZSA-N 0 0 326.418 1.835 10 0 EDAERN C[C@H](NC(=O)c1ccc2nccn2c1)c1ccc(S(N)(=O)=O)cc1 ZINC000068509890 215314360 /nfs/dbraw/zinc/31/43/60/215314360.db2.gz RRMQFVGXJQUBHC-NSHDSACASA-N 0 0 344.396 1.473 10 0 EDAERN CC(C)(CNc1ncc(Br)cc1N)NS(C)(=O)=O ZINC000104409702 219384801 /nfs/dbraw/zinc/38/48/01/219384801.db2.gz DHWSRIDRHYKGAP-UHFFFAOYSA-N 0 0 337.243 1.166 10 0 EDAERN CCNc1ncc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000069146336 215364594 /nfs/dbraw/zinc/36/45/94/215364594.db2.gz XACSZWZGRTVVJG-SNVBAGLBSA-N 0 0 331.825 1.474 10 0 EDAERN CN(C)c1ncccc1C(=O)NCC(=O)NCc1ccc(Cl)cc1 ZINC000040661923 213366147 /nfs/dbraw/zinc/36/61/47/213366147.db2.gz WZSBMUPNOFJGBK-UHFFFAOYSA-N 0 0 346.818 1.847 10 0 EDAERN C/C(=C\c1cccs1)C(=O)N1CCO[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000040666319 213366278 /nfs/dbraw/zinc/36/62/78/213366278.db2.gz KVPVUXOIDKLDQC-ZCUOCTDKSA-N 0 0 327.427 1.176 10 0 EDAERN O=C(c1c(F)cccc1Cl)N1CCO[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000040624876 213361111 /nfs/dbraw/zinc/36/11/11/213361111.db2.gz DFQYGHRNIGTGKH-GHMZBOCLSA-N 0 0 333.768 1.117 10 0 EDAERN CCOC(=O)c1ccc(NC(=O)Cn2c(N)nnc2SC)cc1 ZINC000001921845 209805453 /nfs/dbraw/zinc/80/54/53/209805453.db2.gz VACQXMFEFFEVCR-UHFFFAOYSA-N 0 0 335.389 1.398 10 0 EDAERN CCc1nnc2ccc(N3CCC[C@@H](Cc4noc(C)n4)C3)nn21 ZINC000181023002 234063230 /nfs/dbraw/zinc/06/32/30/234063230.db2.gz FJIRTCKZIYLHCM-LBPRGKRZSA-N 0 0 327.392 1.837 10 0 EDAERN O=C(CCN1CCO[C@@H](Cn2cccn2)C1)OCc1ccccc1 ZINC000181452691 234190562 /nfs/dbraw/zinc/19/05/62/234190562.db2.gz RPAOJTSTJUYAAX-QGZVFWFLSA-N 0 0 329.400 1.717 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127406364 222836266 /nfs/dbraw/zinc/83/62/66/222836266.db2.gz LDJKYCWSYPCTSG-CQSZACIVSA-N 0 0 341.419 1.221 10 0 EDAERN CC[C@@H](CCO)NC(=O)C1CCC(C(=O)N[C@@H](CC)CCO)CC1 ZINC000159014010 540002790 /nfs/dbraw/zinc/00/27/90/540002790.db2.gz ROBBMIIJWKEQAG-CKUJCDMFSA-N 0 0 342.480 1.347 10 0 EDAERN Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(C)CC3)o2)cc1 ZINC000040320917 213291456 /nfs/dbraw/zinc/29/14/56/213291456.db2.gz MQLMHJLCOIIBED-UHFFFAOYSA-N 0 0 348.424 1.808 10 0 EDAERN O=NC1c2ccccc2N(C(=S)N[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000040168671 213278241 /nfs/dbraw/zinc/27/82/41/213278241.db2.gz PAWWJSNJBBGQDL-MRVPVSSYSA-N 0 0 339.398 1.655 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162312888 291015783 /nfs/dbraw/zinc/01/57/83/291015783.db2.gz RYFSWPBGRDVPRN-DOMZBBRYSA-N 0 0 340.445 1.954 10 0 EDAERN O=C(c1cnn2c1CCCC2)N1CCC(Nc2cccnn2)CC1 ZINC000128138708 222917658 /nfs/dbraw/zinc/91/76/58/222917658.db2.gz WQHDOYJUPAWTLR-UHFFFAOYSA-N 0 0 326.404 1.726 10 0 EDAERN Cn1cc(C(=O)N2CCCC2)cc(NC(=O)c2cccnc2)c1=O ZINC000038845107 213227825 /nfs/dbraw/zinc/22/78/25/213227825.db2.gz SVLZWFYEMDPXIC-UHFFFAOYSA-N 0 0 326.356 1.269 10 0 EDAERN COCCC1(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000163952470 540058726 /nfs/dbraw/zinc/05/87/26/540058726.db2.gz HAVZCUPCTCMYKM-LBPRGKRZSA-N 0 0 330.384 1.604 10 0 EDAERN CC(C)(C)C(=O)NCCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810668 219536023 /nfs/dbraw/zinc/53/60/23/219536023.db2.gz JTQBJABNTBPVQW-UHFFFAOYSA-N 0 0 333.436 1.068 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc(C(C)C)nn3C)CC2)no1 ZINC000174218362 540095271 /nfs/dbraw/zinc/09/52/71/540095271.db2.gz OUZDVUFKRYMYSG-UHFFFAOYSA-N 0 0 346.435 1.583 10 0 EDAERN CCOc1cnc(C(=O)N2CCC(c3nncn3CC)CC2)cn1 ZINC000189148130 540163726 /nfs/dbraw/zinc/16/37/26/540163726.db2.gz YDVZCTDANWMTRH-UHFFFAOYSA-N 0 0 330.392 1.507 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)cc1C ZINC000190829059 540171920 /nfs/dbraw/zinc/17/19/20/540171920.db2.gz SEGQITUPKHUKOL-OAHLLOKOSA-N 0 0 327.388 1.923 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000192560278 540179941 /nfs/dbraw/zinc/17/99/41/540179941.db2.gz YOIITZAHIDTALO-BZUAXINKSA-N 0 0 336.819 1.985 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000185243517 235622615 /nfs/dbraw/zinc/62/26/15/235622615.db2.gz YJBUJYCUTONBOY-UHFFFAOYSA-N 0 0 326.343 1.261 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@H](NC(C)=O)C2)c1C ZINC000077169704 138251716 /nfs/dbraw/zinc/25/17/16/138251716.db2.gz CPCGXAWVAGUAMM-AWEZNQCLSA-N 0 0 349.431 1.591 10 0 EDAERN O=C(c1ccc(Cl)cc1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796403 138270181 /nfs/dbraw/zinc/27/01/81/138270181.db2.gz DVUCGPPEVCGPCW-ZDUSSCGKSA-N 0 0 328.155 1.418 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000081073812 138265432 /nfs/dbraw/zinc/26/54/32/138265432.db2.gz GFJMGRJDSPUZAG-HNNXBMFYSA-N 0 0 332.429 1.889 10 0 EDAERN CC(C)CCNC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000091049017 138281371 /nfs/dbraw/zinc/28/13/71/138281371.db2.gz VVJLLMWTHVYDMF-NSHDSACASA-N 0 0 342.465 1.158 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000118076342 138312560 /nfs/dbraw/zinc/31/25/60/138312560.db2.gz PXBKZYPYTKGGGD-MRXNPFEDSA-N 0 0 341.415 1.686 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NCc1cc(F)cc(F)c1 ZINC000105898965 138302379 /nfs/dbraw/zinc/30/23/79/138302379.db2.gz SHEVCKKJIPHBRQ-OAHLLOKOSA-N 0 0 335.358 1.510 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185766630 235746114 /nfs/dbraw/zinc/74/61/14/235746114.db2.gz SKXBLQQYFQBYFN-MRVPVSSYSA-N 0 0 333.335 1.824 10 0 EDAERN C[C@H](CNC(=O)Cc1coc(-c2ccc(F)cc2)n1)N1CCOCC1 ZINC000113147264 138309824 /nfs/dbraw/zinc/30/98/24/138309824.db2.gz VCFLUSRMSUUFAL-CYBMUJFWSA-N 0 0 347.390 1.860 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(OC)c(O)c1)CC2 ZINC000114935105 138310973 /nfs/dbraw/zinc/31/09/73/138310973.db2.gz IHJOSBQTUKOSAI-LBPRGKRZSA-N 0 0 345.403 1.369 10 0 EDAERN Cc1cnc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)s1 ZINC000123796512 138321335 /nfs/dbraw/zinc/32/13/35/138321335.db2.gz SJUUMDCLMBYQPT-UHFFFAOYSA-N 0 0 333.417 1.530 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)[C@@H]3CCCCO3)CC2)cn1 ZINC000124401150 138326339 /nfs/dbraw/zinc/32/63/39/138326339.db2.gz ANAMPKAFZOEUEK-KRWDZBQOSA-N 0 0 334.464 1.897 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(Cc3nccn3C(F)F)CCO2)n1 ZINC000105893494 219583514 /nfs/dbraw/zinc/58/35/14/219583514.db2.gz LVWQJPTXVMPYLO-CYBMUJFWSA-N 0 0 325.363 1.993 10 0 EDAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000125569989 138334959 /nfs/dbraw/zinc/33/49/59/138334959.db2.gz PUBKRAZVFQDNAL-HNNXBMFYSA-N 0 0 330.432 1.764 10 0 EDAERN O=C(Cc1ccccc1)NCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126300526 138338057 /nfs/dbraw/zinc/33/80/57/138338057.db2.gz PXEAZCFKVSBKFW-UHFFFAOYSA-N 0 0 340.427 1.481 10 0 EDAERN NC(=O)[C@@H](NC1CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000037870383 213171620 /nfs/dbraw/zinc/17/16/20/213171620.db2.gz KJXHMHGRNGCUJL-NSHDSACASA-N 0 0 327.178 1.499 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Cc3cnc4ccccc4c3)CCO2)[nH]1 ZINC000131630363 138363224 /nfs/dbraw/zinc/36/32/24/138363224.db2.gz GUDGVSFIQZDPJF-INIZCTEOSA-N 0 0 337.383 1.804 10 0 EDAERN C[C@H](c1cn(-c2ccccc2)nn1)N1CC[C@H](N2CCOCC2)C1 ZINC000131681148 138364333 /nfs/dbraw/zinc/36/43/33/138364333.db2.gz LPLGBZVXQMUECE-WBVHZDCISA-N 0 0 327.432 1.735 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)o1 ZINC000132519950 138378470 /nfs/dbraw/zinc/37/84/70/138378470.db2.gz CEMNCCPPIKQAGA-GXTWGEPZSA-N 0 0 328.434 1.825 10 0 EDAERN Cc1ccc(Br)cc1NC(=O)C(=O)NCC(N)=S ZINC000037368150 213141248 /nfs/dbraw/zinc/14/12/48/213141248.db2.gz CNCDQLYKUSEVIO-UHFFFAOYSA-N 0 0 330.207 1.098 10 0 EDAERN CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000134408597 138408973 /nfs/dbraw/zinc/40/89/73/138408973.db2.gz QXSNMYJECSWOKA-NEPJUHHUSA-N 0 0 337.424 1.564 10 0 EDAERN COc1cc(C=O)cc(Br)c1OC[C@H]1CNC(=O)O1 ZINC000036815172 213120519 /nfs/dbraw/zinc/12/05/19/213120519.db2.gz OSTSUSDUCQKOJT-MRVPVSSYSA-N 0 0 330.134 1.757 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCNC(=O)C(C)C ZINC000036656248 213107135 /nfs/dbraw/zinc/10/71/35/213107135.db2.gz FMYRWMQNFJMGDW-ZBFHGGJFSA-N 0 0 347.459 1.720 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)cn1 ZINC000187075915 236110463 /nfs/dbraw/zinc/11/04/63/236110463.db2.gz JNAXVHIMMJFENT-UHFFFAOYSA-N 0 0 334.449 1.263 10 0 EDAERN NC(=O)Cn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@@H]21 ZINC000096318889 283296311 /nfs/dbraw/zinc/29/63/11/283296311.db2.gz STRNLMJEBGKXKY-PELKAZGASA-N 0 0 334.422 1.641 10 0 EDAERN CC(C)(C)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036125627 213071441 /nfs/dbraw/zinc/07/14/41/213071441.db2.gz UPACKFSVUDZSGH-UHFFFAOYSA-N 0 0 340.445 1.768 10 0 EDAERN O=C(c1cccc(C(=O)N2CCN(CC3CC3)CC2)n1)N1CCCC1 ZINC000155217996 138532686 /nfs/dbraw/zinc/53/26/86/138532686.db2.gz BEGSVQUDURFYTL-UHFFFAOYSA-N 0 0 342.443 1.485 10 0 EDAERN COc1ccc(OC)c(S(=O)(=O)N2C[C@H](C)OCC2(C)C)c1 ZINC000036102690 213067317 /nfs/dbraw/zinc/06/73/17/213067317.db2.gz KHJSWEYHWRISAP-NSHDSACASA-N 0 0 329.418 1.892 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000127135211 138614213 /nfs/dbraw/zinc/61/42/13/138614213.db2.gz XXHMQSQMJZQXMU-LSDHHAIUSA-N 0 0 349.435 1.385 10 0 EDAERN Cn1cc(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000173922727 138676891 /nfs/dbraw/zinc/67/68/91/138676891.db2.gz ZIICYDSYPBAGNC-UONOGXRCSA-N 0 0 336.436 1.772 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC)C1)c1ccccc1C ZINC000173816188 138675452 /nfs/dbraw/zinc/67/54/52/138675452.db2.gz CTKHXRHTVCUGFH-GOEBONIOSA-N 0 0 346.427 1.974 10 0 EDAERN C[C@H](CC(=O)N[C@H]1CCc2ncnn2C1)C(=O)c1cccc(F)c1 ZINC000174816352 138688170 /nfs/dbraw/zinc/68/81/70/138688170.db2.gz BCLZNDLHJXFDNF-RISCZKNCSA-N 0 0 330.363 1.757 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C(=O)NCCCc1ccccc1 ZINC000175721174 138699121 /nfs/dbraw/zinc/69/91/21/138699121.db2.gz SSUBRUWDIMBHBS-AWEZNQCLSA-N 0 0 348.443 1.924 10 0 EDAERN COC(OC)[C@H](C)NS(=O)(=O)c1cccc(Br)c1 ZINC000033747696 212961667 /nfs/dbraw/zinc/96/16/67/212961667.db2.gz NGTDLQDNVKWUQV-QMMMGPOBSA-N 0 0 338.223 1.735 10 0 EDAERN O=C(N[C@H]([C@H]1NC=CC(=O)N1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000033374219 212931463 /nfs/dbraw/zinc/93/14/63/212931463.db2.gz KNHIOYRLOJIHEO-MNOVXSKESA-N 0 0 348.617 1.714 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NC[C@H]3COC4(CCCCC4)O3)C2)cn1 ZINC000181113813 138764954 /nfs/dbraw/zinc/76/49/54/138764954.db2.gz KVBSSSRWKOVTSP-HOCLYGCPSA-N 0 0 348.447 1.995 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182546524 138777171 /nfs/dbraw/zinc/77/71/71/138777171.db2.gz ZCVQYYVGGQDPHW-IMJJTQAJSA-N 0 0 346.431 1.427 10 0 EDAERN O=C(c1cc(N2CCOCC2)ccn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000129597940 223074091 /nfs/dbraw/zinc/07/40/91/223074091.db2.gz HMMQDGRGAJFWLN-IRXDYDNUSA-N 0 0 331.416 1.702 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2ccc(F)cc2)C1 ZINC000185362022 138804430 /nfs/dbraw/zinc/80/44/30/138804430.db2.gz VHFPXPNJWFQYLL-UHFFFAOYSA-N 0 0 337.395 1.260 10 0 EDAERN CCOC(=O)c1cnn2c1nnc1c2ccn(-c2ccc(C)cc2)c1=O ZINC000072466148 216247794 /nfs/dbraw/zinc/24/77/94/216247794.db2.gz CFAKVNFESAPKSG-UHFFFAOYSA-N 0 0 349.350 1.914 10 0 EDAERN Cc1nc(NC(=O)[C@H](C)N2CCN(Cc3ccon3)CC2)sc1C ZINC000072723143 216300086 /nfs/dbraw/zinc/30/00/86/216300086.db2.gz BKHVBKAIQBBZEM-LBPRGKRZSA-N 0 0 349.460 1.893 10 0 EDAERN C[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)Oc1ccccc1 ZINC000072822342 216310879 /nfs/dbraw/zinc/31/08/79/216310879.db2.gz ORWRROXBHFGUGX-RHSMWYFYSA-N 0 0 341.411 1.850 10 0 EDAERN COCCN(C(C)=O)c1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000072956798 216333293 /nfs/dbraw/zinc/33/32/93/216333293.db2.gz NTQJVINTVCAKSJ-VXGBXAGGSA-N 0 0 327.450 1.752 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)COc1ccc(Br)cc1 ZINC000188849930 138853591 /nfs/dbraw/zinc/85/35/91/138853591.db2.gz FLKYVYRHHWBOSW-JTQLQIEISA-N 0 0 341.205 1.565 10 0 EDAERN CC(C)c1n[nH]c(C(=O)N2CCCNC(=O)[C@H]2C)c1Br ZINC000188902461 138855356 /nfs/dbraw/zinc/85/53/56/138855356.db2.gz FTJVNBZWTGRISJ-MRVPVSSYSA-N 0 0 343.225 1.646 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000042648169 291317682 /nfs/dbraw/zinc/31/76/82/291317682.db2.gz NHLBTXCICPLBIO-OCCSQVGLSA-N 0 0 334.347 1.806 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000189328711 138868066 /nfs/dbraw/zinc/86/80/66/138868066.db2.gz QQNHLDOTGKYAHZ-SNVBAGLBSA-N 0 0 329.322 1.854 10 0 EDAERN COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000020371038 212123379 /nfs/dbraw/zinc/12/33/79/212123379.db2.gz PNTLQBWMBJRVRU-WCQYABFASA-N 0 0 333.388 1.149 10 0 EDAERN CC[C@@H](C)NC(=O)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000019966821 212091756 /nfs/dbraw/zinc/09/17/56/212091756.db2.gz KXYQRDZATOHNMZ-MRVPVSSYSA-N 0 0 339.189 1.893 10 0 EDAERN O=C(c1c[nH]c(=S)[nH]1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000193090196 138960719 /nfs/dbraw/zinc/96/07/19/138960719.db2.gz NOWNJYJUFJAZEU-UHFFFAOYSA-N 0 0 348.432 1.307 10 0 EDAERN COCCN(CCOC)S(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000193272063 138965286 /nfs/dbraw/zinc/96/52/86/138965286.db2.gz UWMMNHYGZBFZNN-INIZCTEOSA-N 0 0 342.461 1.493 10 0 EDAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194355980 138990451 /nfs/dbraw/zinc/99/04/51/138990451.db2.gz HPHJPKDHKVPAJV-CYBMUJFWSA-N 0 0 336.417 1.713 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cncc(Cl)n1 ZINC000192330145 284217905 /nfs/dbraw/zinc/21/79/05/284217905.db2.gz CTARBNXIIYUITH-JTQLQIEISA-N 0 0 337.788 1.779 10 0 EDAERN O=C([C@H]1CNC(=O)C1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000194864530 139001528 /nfs/dbraw/zinc/00/15/28/139001528.db2.gz QEUDDQAMHNHEQD-CQSZACIVSA-N 0 0 335.835 1.510 10 0 EDAERN CSc1ccc(S(=O)(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000194931411 139002760 /nfs/dbraw/zinc/00/27/60/139002760.db2.gz DJGNRZWDTMLJDA-LBPRGKRZSA-N 0 0 328.459 1.698 10 0 EDAERN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCc2ccc(F)cc21 ZINC000195023743 139005015 /nfs/dbraw/zinc/00/50/15/139005015.db2.gz VJPLQVWGDOPLKO-CQSZACIVSA-N 0 0 340.354 1.845 10 0 EDAERN NC(=O)CSc1ccccc1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195079990 139006567 /nfs/dbraw/zinc/00/65/67/139006567.db2.gz BSPCERBZNJIJCR-CYBMUJFWSA-N 0 0 333.457 1.574 10 0 EDAERN CCN(C)C(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000187251186 284279973 /nfs/dbraw/zinc/27/99/73/284279973.db2.gz CVCAYSDSVDSQRG-YOEHRIQHSA-N 0 0 331.416 1.191 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)CC2 ZINC000195277396 139012123 /nfs/dbraw/zinc/01/21/23/139012123.db2.gz IZEKXLJQYWYTMU-NSHDSACASA-N 0 0 340.387 1.316 10 0 EDAERN O=C(CN1CCC(c2cc[nH]n2)CC1)NCc1ccc2c(c1)OCO2 ZINC000195506792 139018460 /nfs/dbraw/zinc/01/84/60/139018460.db2.gz LDZITHLKCFOCFM-UHFFFAOYSA-N 0 0 342.399 1.634 10 0 EDAERN COc1ccc(C)cc1-n1nnnc1SCc1nnnn1C(C)C ZINC000195516848 139018833 /nfs/dbraw/zinc/01/88/33/139018833.db2.gz LSMDVKPQUNRKRX-UHFFFAOYSA-N 0 0 346.420 1.839 10 0 EDAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195271409 284296715 /nfs/dbraw/zinc/29/67/15/284296715.db2.gz NLNQMEYAHXMNGM-OAHLLOKOSA-N 0 0 349.350 1.456 10 0 EDAERN O=C(Nc1ccc(OC(F)F)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000078988264 217165975 /nfs/dbraw/zinc/16/59/75/217165975.db2.gz NCMOECOZVACJER-MFKMUULPSA-N 0 0 342.342 1.894 10 0 EDAERN COc1cccc([C@H](C)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111084866 220098053 /nfs/dbraw/zinc/09/80/53/220098053.db2.gz JAVCWBJNPGYORS-YOEHRIQHSA-N 0 0 329.400 1.923 10 0 EDAERN COc1ccc(SCC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111080211 220096628 /nfs/dbraw/zinc/09/66/28/220096628.db2.gz WPLPLUNAMZNUDT-OAHLLOKOSA-N 0 0 347.440 1.911 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111344270 220142638 /nfs/dbraw/zinc/14/26/38/220142638.db2.gz SPSZAMXDBPCLRI-LLVKDONJSA-N 0 0 342.446 1.256 10 0 EDAERN Cc1csc(CNC(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)n1 ZINC000111809682 220194177 /nfs/dbraw/zinc/19/41/77/220194177.db2.gz JSRYSMWJYOQMMO-AWEZNQCLSA-N 0 0 349.460 1.875 10 0 EDAERN C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111838366 220204013 /nfs/dbraw/zinc/20/40/13/220204013.db2.gz UWODSURIKCFGQB-RHSMWYFYSA-N 0 0 344.415 1.630 10 0 EDAERN O=C(NCc1ccccc1)c1cc(N[C@@H]2CCS(=O)(=O)C2)ccn1 ZINC000242758132 139070228 /nfs/dbraw/zinc/07/02/28/139070228.db2.gz DKUUHUHGOWOCKV-OAHLLOKOSA-N 0 0 345.424 1.611 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)c1 ZINC000112063405 220236540 /nfs/dbraw/zinc/23/65/40/220236540.db2.gz CYYWLFXYZOGBAD-MRXNPFEDSA-N 0 0 333.363 1.637 10 0 EDAERN COc1cccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1O ZINC000112117897 220246388 /nfs/dbraw/zinc/24/63/88/220246388.db2.gz GPDCSLBRNLEVBF-CYBMUJFWSA-N 0 0 331.372 1.447 10 0 EDAERN CN(C)c1nc(N)nc(CN2C[C@@H](c3ccccc3)OCC2(C)C)n1 ZINC000083170497 217520339 /nfs/dbraw/zinc/52/03/39/217520339.db2.gz YGIWQFDFDLHXHK-AWEZNQCLSA-N 0 0 342.447 1.872 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)[C@H]2COc3ccccc32)C[C@H]1C ZINC000246076022 139093817 /nfs/dbraw/zinc/09/38/17/139093817.db2.gz BVDSDOLUGDCRIA-BFYDXBDKSA-N 0 0 347.459 1.913 10 0 EDAERN CCOC(=O)c1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246298537 139103003 /nfs/dbraw/zinc/10/30/03/139103003.db2.gz IXWKVAFICAEXJU-INIZCTEOSA-N 0 0 331.416 1.582 10 0 EDAERN C[C@H](C(=O)NCc1ccccc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247133534 139136843 /nfs/dbraw/zinc/13/68/43/139136843.db2.gz KMCOAORVKQAEJA-GDBMZVCRSA-N 0 0 346.406 1.428 10 0 EDAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCC(=O)OC(C)(C)C ZINC000247208061 139140378 /nfs/dbraw/zinc/14/03/78/139140378.db2.gz NJDUQXUWDISDPX-STQMWFEESA-N 0 0 328.478 1.756 10 0 EDAERN C[C@@H](C(=O)NCc1ccccc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000247374655 139146530 /nfs/dbraw/zinc/14/65/30/139146530.db2.gz VDRSLKXZVAMDFO-DZGCQCFKSA-N 0 0 331.395 1.759 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC000247397305 139147385 /nfs/dbraw/zinc/14/73/85/139147385.db2.gz XYBMEDFARCBPQH-MRXNPFEDSA-N 0 0 325.497 1.820 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000247541002 139151864 /nfs/dbraw/zinc/15/18/64/139151864.db2.gz CZMHWLMXSUPQDA-ZIAGYGMSSA-N 0 0 341.481 1.454 10 0 EDAERN C[C@H](O)C[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000247697244 139154174 /nfs/dbraw/zinc/15/41/74/139154174.db2.gz UCAQWWGAHUFSEC-XIRDDKMYSA-N 0 0 335.448 1.171 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)C12CCOCC2 ZINC000248577873 139168142 /nfs/dbraw/zinc/16/81/42/139168142.db2.gz QEHJBGKMPGWDDN-APIJFGDWSA-N 0 0 328.453 1.667 10 0 EDAERN CO[C@H](C)CS(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248653292 139170288 /nfs/dbraw/zinc/17/02/88/139170288.db2.gz OOPWNJMHEDGCSX-FVQBIDKESA-N 0 0 327.446 1.939 10 0 EDAERN O=C([C@@H]1CSC(=O)N1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091767121 218062026 /nfs/dbraw/zinc/06/20/26/218062026.db2.gz JKTBJZBMMYQWIH-UWJYBYFXSA-N 0 0 328.340 1.424 10 0 EDAERN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091782897 218065936 /nfs/dbraw/zinc/06/59/36/218065936.db2.gz OIUQYCHMTOVYQQ-MFKMUULPSA-N 0 0 344.333 1.597 10 0 EDAERN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785540 218066026 /nfs/dbraw/zinc/06/60/26/218066026.db2.gz WCIFEKYWVLBDFE-SWLSCSKDSA-N 0 0 334.416 1.464 10 0 EDAERN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784594 218066212 /nfs/dbraw/zinc/06/62/12/218066212.db2.gz YGEQPLDYXIESOT-CQSZACIVSA-N 0 0 348.790 1.160 10 0 EDAERN O=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)N1CCOCC1 ZINC000009816242 211123739 /nfs/dbraw/zinc/12/37/39/211123739.db2.gz KVUNVWZUDWRDET-UHFFFAOYSA-N 0 0 349.387 1.936 10 0 EDAERN Cc1noc([C@@H]2COCCN2C[C@H](O)COc2ccc(C)cc2C)n1 ZINC000249284928 139190503 /nfs/dbraw/zinc/19/05/03/139190503.db2.gz IARQJFNYDNUBQH-HOTGVXAUSA-N 0 0 347.415 1.808 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000249517948 139194905 /nfs/dbraw/zinc/19/49/05/139194905.db2.gz KLRGWMUQKRGEQV-DMDPSCGWSA-N 0 0 329.343 1.636 10 0 EDAERN CN(CC(=O)c1cnccn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074793 218273086 /nfs/dbraw/zinc/27/30/86/218273086.db2.gz BNWPKLODYDJGIY-CYBMUJFWSA-N 0 0 334.420 1.991 10 0 EDAERN Cc1cc(C)c(C(=O)N2CCC(c3nnc4n3CCNC4)CC2)[nH]1 ZINC000261617588 139211522 /nfs/dbraw/zinc/21/15/22/139211522.db2.gz BATZKWRVPNQNRG-UHFFFAOYSA-N 0 0 328.420 1.346 10 0 EDAERN O=C(c1cc(-c2cccnc2)nc2onc(C3CC3)c21)N1CC(O)C1 ZINC000095422172 218364169 /nfs/dbraw/zinc/36/41/69/218364169.db2.gz XCLHDPDRRVIQIJ-UHFFFAOYSA-N 0 0 336.351 1.979 10 0 EDAERN CCOc1ccc(CNC(=O)[C@H](NC)c2cnn(C)c2)cc1OC ZINC000262020548 139244366 /nfs/dbraw/zinc/24/43/66/139244366.db2.gz CWRZZJHZLIHTIZ-MRXNPFEDSA-N 0 0 332.404 1.404 10 0 EDAERN O=C(NCc1cccnc1)[C@@H]1C[C@H]2[C@H](CCN2c2ncc(F)cn2)O1 ZINC000096186582 218652445 /nfs/dbraw/zinc/65/24/45/218652445.db2.gz MKYNPKXJESFUAF-KKUMJFAQSA-N 0 0 343.362 1.063 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1CCN(C)C1=O)C(C)C ZINC000152487840 223973037 /nfs/dbraw/zinc/97/30/37/223973037.db2.gz GBLXJHRHTNCRMP-CABCVRRESA-N 0 0 331.416 1.096 10 0 EDAERN C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1nnc2n1CCCC2 ZINC000153138883 224063901 /nfs/dbraw/zinc/06/39/01/224063901.db2.gz DMUYBJXDQPGDBN-LLVKDONJSA-N 0 0 336.440 1.232 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(N(C)C)cn2)C1 ZINC000263114126 139322982 /nfs/dbraw/zinc/32/29/82/139322982.db2.gz WCNSSHAKCUXUIT-UHFFFAOYSA-N 0 0 335.408 1.207 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(-n2cccc2)cc1 ZINC000183896084 285043139 /nfs/dbraw/zinc/04/31/39/285043139.db2.gz OAOIZCLQSYVUIQ-CYBMUJFWSA-N 0 0 343.412 1.362 10 0 EDAERN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112649839 220363815 /nfs/dbraw/zinc/36/38/15/220363815.db2.gz CYEQBBCDOVPIDE-JSGCOSHPSA-N 0 0 343.387 1.024 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000112652747 220364117 /nfs/dbraw/zinc/36/41/17/220364117.db2.gz XEOYAPZDTAHLHK-HZMBPMFUSA-N 0 0 347.325 1.181 10 0 EDAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112656523 220365599 /nfs/dbraw/zinc/36/55/99/220365599.db2.gz YNVNPBMHFRABPR-QWHCGFSZSA-N 0 0 349.435 1.499 10 0 EDAERN CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112662390 220368260 /nfs/dbraw/zinc/36/82/60/220368260.db2.gz ZGUGCFLTGNXRBI-ZDUSSCGKSA-N 0 0 348.428 1.205 10 0 EDAERN COc1ccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000112712363 220382673 /nfs/dbraw/zinc/38/26/73/220382673.db2.gz CMYTZKDGOXQMLC-ZDUSSCGKSA-N 0 0 345.403 1.152 10 0 EDAERN C[C@H](NC(=O)NCCNC(=O)c1c(F)cccc1F)[C@@H]1CCCO1 ZINC000112715210 220384752 /nfs/dbraw/zinc/38/47/52/220384752.db2.gz VUJVZVCKSJWWSH-GWCFXTLKSA-N 0 0 341.358 1.561 10 0 EDAERN Cc1ccccc1OCCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112749148 220397431 /nfs/dbraw/zinc/39/74/31/220397431.db2.gz MCWJGUHLZKWVBS-AWEZNQCLSA-N 0 0 329.404 1.670 10 0 EDAERN CC(C)COC[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccco1 ZINC000112747482 220397592 /nfs/dbraw/zinc/39/75/92/220397592.db2.gz HBESDMYWYQFGCB-ZIAGYGMSSA-N 0 0 347.419 1.899 10 0 EDAERN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cnc(C(=O)[O-])cn1 ZINC000263424516 139341103 /nfs/dbraw/zinc/34/11/03/139341103.db2.gz QSLXCMAIPORYJF-AWEZNQCLSA-N 0 0 341.415 1.797 10 0 EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc2ccccc2c1 ZINC000113298822 220518456 /nfs/dbraw/zinc/51/84/56/220518456.db2.gz NSQUDRQZPHRLSU-CQSZACIVSA-N 0 0 328.397 1.725 10 0 EDAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C[C@H](O)COCc1ccccc1 ZINC000113516758 220563715 /nfs/dbraw/zinc/56/37/15/220563715.db2.gz FTRDEOLQOGZUOE-FMKPAKJESA-N 0 0 329.462 1.318 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(C)sc1C)CC2 ZINC000114874239 220772434 /nfs/dbraw/zinc/77/24/34/220772434.db2.gz CHYNTVLPJVCZHV-NSHDSACASA-N 0 0 340.474 1.812 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC1CCC3(CC1)OCCO3)CC2 ZINC000114925594 220782650 /nfs/dbraw/zinc/78/26/50/220782650.db2.gz PEBLFFJJDZMNKV-CYBMUJFWSA-N 0 0 349.435 1.140 10 0 EDAERN CCOCCCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117035595 221025314 /nfs/dbraw/zinc/02/53/14/221025314.db2.gz PSBXQUKCFCQMHJ-GOSISDBHSA-N 0 0 349.475 1.864 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCN1CCOC ZINC000117372566 221058850 /nfs/dbraw/zinc/05/88/50/221058850.db2.gz QFAQGWKQMZKESZ-OAHLLOKOSA-N 0 0 326.462 1.726 10 0 EDAERN CCOCCN1CCN(C(=O)CNC(=O)CCC(C)C)C[C@@H]1C ZINC000117282626 221041175 /nfs/dbraw/zinc/04/11/75/221041175.db2.gz PQSTUYXTSBEGEL-HNNXBMFYSA-N 0 0 327.469 1.108 10 0 EDAERN CCOCCN1CCN(C(=O)Cn2nc(C)c(Cl)c2C)C[C@@H]1C ZINC000117282311 221041990 /nfs/dbraw/zinc/04/19/90/221041990.db2.gz BQNYUBIWKOWEHC-LBPRGKRZSA-N 0 0 342.871 1.723 10 0 EDAERN COCCN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000117287104 221044380 /nfs/dbraw/zinc/04/43/80/221044380.db2.gz RJUKZWZDHQTDCP-HNNXBMFYSA-N 0 0 340.427 1.936 10 0 EDAERN COCCN1CCN(C(=O)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000117291538 221044863 /nfs/dbraw/zinc/04/48/63/221044863.db2.gz XLGCYMKXZWLFFU-AWEZNQCLSA-N 0 0 336.432 1.425 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000117521682 221073213 /nfs/dbraw/zinc/07/32/13/221073213.db2.gz PMLMBJMMQQWUKK-INIZCTEOSA-N 0 0 347.459 1.811 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000117521669 221073394 /nfs/dbraw/zinc/07/33/94/221073394.db2.gz ARNIIROBHCWWFE-INIZCTEOSA-N 0 0 347.459 1.811 10 0 EDAERN CSC[C@@H](CCO)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000118988559 221218693 /nfs/dbraw/zinc/21/86/93/221218693.db2.gz YCYLKVJMYJQSSR-GHMZBOCLSA-N 0 0 327.454 1.089 10 0 EDAERN Cn1cc([C@H]2[C@@H](C(=O)NCC3(C4CC4)CC3)CCC(=O)N2C)cn1 ZINC000118998917 221220555 /nfs/dbraw/zinc/22/05/55/221220555.db2.gz GXKACWRKVQXOPF-HOCLYGCPSA-N 0 0 330.432 1.636 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119388067 221309128 /nfs/dbraw/zinc/30/91/28/221309128.db2.gz DQVMDJMUWNXIPL-LLVKDONJSA-N 0 0 334.380 1.519 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000119463825 221326470 /nfs/dbraw/zinc/32/64/70/221326470.db2.gz DQUTWWWSZVEAIZ-UHFFFAOYSA-N 0 0 341.415 1.820 10 0 EDAERN CS(=O)(=O)c1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119635191 221364955 /nfs/dbraw/zinc/36/49/55/221364955.db2.gz FRPLHJCANIUEKW-GUYCJALGSA-N 0 0 337.441 1.857 10 0 EDAERN Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)n1 ZINC000248115518 257665116 /nfs/dbraw/zinc/66/51/16/257665116.db2.gz IMTMFLGYGTUABF-CABCVRRESA-N 0 0 325.372 1.144 10 0 EDAERN COC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccc(Cl)c1)C2 ZINC000253613825 257657318 /nfs/dbraw/zinc/65/73/18/257657318.db2.gz OMEZNLISYUWRIS-ZDUSSCGKSA-N 0 0 329.849 1.976 10 0 EDAERN O=C(c1ccncc1)N1C[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC000247848170 257677891 /nfs/dbraw/zinc/67/78/91/257677891.db2.gz HTAYGNGJQOKBQF-PMPSAXMXSA-N 0 0 329.400 1.324 10 0 EDAERN COCc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000171399852 533251073 /nfs/dbraw/zinc/25/10/73/533251073.db2.gz JBKJNRFRKWRWPH-INIZCTEOSA-N 0 0 342.399 1.869 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@H](C)C(=O)NCc2ccco2)CC1 ZINC000179483231 533275761 /nfs/dbraw/zinc/27/57/61/533275761.db2.gz CQEFBYNUNJFRAO-PNESKVBLSA-N 0 0 336.388 1.380 10 0 EDAERN CO[C@@H](C)COc1c(C)cc(Br)cc1S(N)(=O)=O ZINC000167240342 533340628 /nfs/dbraw/zinc/34/06/28/533340628.db2.gz AUWUGDCQENPGKM-QMMMGPOBSA-N 0 0 338.223 1.819 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CCC[C@@H]2Cn2ccnc2)CC1 ZINC000177817032 533322166 /nfs/dbraw/zinc/32/21/66/533322166.db2.gz OEYMUCRJMLGQAM-CYBMUJFWSA-N 0 0 325.434 1.089 10 0 EDAERN CS(=O)(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1C(N)=S ZINC000158412409 533322440 /nfs/dbraw/zinc/32/24/40/533322440.db2.gz WPQGXQIULXUFFI-UHFFFAOYSA-N 0 0 340.348 1.323 10 0 EDAERN COC(=O)[C@H]1CN(C(=O)c2cc(N)cc(Br)c2)C[C@@H]1C ZINC000166133013 533472527 /nfs/dbraw/zinc/47/25/27/533472527.db2.gz ODDSNCDDVNKBNO-UFBFGSQYSA-N 0 0 341.205 1.912 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(C(N)=S)c(Cl)c1)[C@@H]1CCOC1 ZINC000166233523 533482695 /nfs/dbraw/zinc/48/26/95/533482695.db2.gz DGWIRGBCHHHEIB-RKDXNWHRSA-N 0 0 348.877 1.678 10 0 EDAERN Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)nc1 ZINC000040680491 132405076 /nfs/dbraw/zinc/40/50/76/132405076.db2.gz CELHJHRQMYHGSE-UHFFFAOYSA-N 0 0 336.392 1.314 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)C1 ZINC000333070172 285523999 /nfs/dbraw/zinc/52/39/99/285523999.db2.gz ACGIIZDWBTWWDX-GRDNDAEWSA-N 0 0 338.452 1.389 10 0 EDAERN O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)N1CCCc2ccccc21 ZINC000059283159 132804503 /nfs/dbraw/zinc/80/45/03/132804503.db2.gz QBOZMFXIENAKDY-JYJNAYRXSA-N 0 0 327.428 1.755 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000062510044 132805246 /nfs/dbraw/zinc/80/52/46/132805246.db2.gz PPUPLJDLYMGCER-VXGBXAGGSA-N 0 0 338.429 1.394 10 0 EDAERN CC(=O)N1C[C@@H](CCC(=O)N2CCn3ncnc3C2)c2ccccc21 ZINC000329955520 140786949 /nfs/dbraw/zinc/78/69/49/140786949.db2.gz KSQFRWAIPPZESI-CQSZACIVSA-N 0 0 339.399 1.551 10 0 EDAERN O=C(c1nc(C2CC2)n2ccccc12)N1CCO[C@@H](c2ncon2)C1 ZINC000329995887 140792146 /nfs/dbraw/zinc/79/21/46/140792146.db2.gz NXTOGVAYHNLSGE-CYBMUJFWSA-N 0 0 339.355 1.808 10 0 EDAERN O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CC(O)(C2CC2)C1 ZINC000330097421 140802152 /nfs/dbraw/zinc/80/21/52/140802152.db2.gz YLVGKJNMOFAMJZ-CQSZACIVSA-N 0 0 334.803 1.676 10 0 EDAERN C[C@H]1CCN(C(=O)[C@H]2CCN2Cc2ccccc2)CCS1(=O)=O ZINC000330279072 140827206 /nfs/dbraw/zinc/82/72/06/140827206.db2.gz QMEDXAGZQWIEQN-GOEBONIOSA-N 0 0 336.457 1.297 10 0 EDAERN O=S(=O)(c1cccc2cnccc21)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333018628 141250845 /nfs/dbraw/zinc/25/08/45/141250845.db2.gz CWQLXIOCOJCULO-CYBMUJFWSA-N 0 0 343.412 1.921 10 0 EDAERN CC(C)[C@H]1N(S(=O)(=O)c2cnn3c2OCCC3)C[C@]12CCCO2 ZINC000333145769 141271585 /nfs/dbraw/zinc/27/15/85/141271585.db2.gz KCVLGGREYISVQQ-UKRRQHHQSA-N 0 0 341.433 1.244 10 0 EDAERN Cc1nc2c(nccc2C(=O)N2CCO[C@@H](COCC3CC3)C2)[nH]1 ZINC000333218748 141282649 /nfs/dbraw/zinc/28/26/49/141282649.db2.gz DBSGVTAQLIQIGZ-CYBMUJFWSA-N 0 0 330.388 1.534 10 0 EDAERN Cc1nccn1-c1cncc(N2C[C@H](C)OC3(CCOCC3)C2)n1 ZINC000333272343 141290718 /nfs/dbraw/zinc/29/07/18/141290718.db2.gz HWHTXLOJKLIFBR-ZDUSSCGKSA-N 0 0 329.404 1.745 10 0 EDAERN COCCC(=O)N1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000333570410 141338582 /nfs/dbraw/zinc/33/85/82/141338582.db2.gz TZSXHLSPJIZZJW-HNNXBMFYSA-N 0 0 331.416 1.209 10 0 EDAERN Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000333841498 141392125 /nfs/dbraw/zinc/39/21/25/141392125.db2.gz LFZDYDQMGZGKGX-GFCCVEGCSA-N 0 0 339.396 1.112 10 0 EDAERN CCC[C@](C)(CO)NC(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248586470 148973774 /nfs/dbraw/zinc/97/37/74/148973774.db2.gz WALXLCUFPSVVLK-IIAWOOMASA-N 0 0 328.453 1.811 10 0 EDAERN Cc1ccc2c(c1)OCCN2S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000247487256 292340762 /nfs/dbraw/zinc/34/07/62/292340762.db2.gz TZEOGDWEMFRBRQ-STQMWFEESA-N 0 0 326.418 1.548 10 0 EDAERN C[C@H](CNC(=O)NCCCN1CCc2ccccc21)N1CCOCC1 ZINC000061944057 287237373 /nfs/dbraw/zinc/23/73/73/287237373.db2.gz KRPDCWCVZLZCEZ-MRXNPFEDSA-N 0 0 346.475 1.459 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000080622667 287307898 /nfs/dbraw/zinc/30/78/98/287307898.db2.gz FHOGQKSRUQQKTB-OAHLLOKOSA-N 0 0 346.431 1.815 10 0 EDAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000158566667 225044373 /nfs/dbraw/zinc/04/43/73/225044373.db2.gz RNGGPMPEDVQVQL-OCCSQVGLSA-N 0 0 344.371 1.342 10 0 EDAERN Cn1ncnc1C[C@@H](NN)c1ccc(Br)c(Cl)c1 ZINC000158264355 224978371 /nfs/dbraw/zinc/97/83/71/224978371.db2.gz DOTWQSJRYSNARK-SNVBAGLBSA-N 0 0 330.617 1.978 10 0 EDAERN Nc1ccc(N2CCOC[C@H]2CO)c(I)c1 ZINC000159003798 225125904 /nfs/dbraw/zinc/12/59/04/225125904.db2.gz WMGONGDDCHUEQS-SECBINFHSA-N 0 0 334.157 1.071 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000159315302 225193002 /nfs/dbraw/zinc/19/30/02/225193002.db2.gz NDRPBJCBLCRBCX-CYBMUJFWSA-N 0 0 326.466 1.576 10 0 EDAERN COCCc1cc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)n(C)n1 ZINC000123136406 287385612 /nfs/dbraw/zinc/38/56/12/287385612.db2.gz OFDXRKQPEFODIZ-INIZCTEOSA-N 0 0 338.452 1.734 10 0 EDAERN Cn1cc(C=O)c(-c2cc3c(cc2Br)NC(=O)CO3)n1 ZINC000164235076 226057893 /nfs/dbraw/zinc/05/78/93/226057893.db2.gz AWNNBOWSILMDQA-UHFFFAOYSA-N 0 0 336.145 1.993 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCN(C3CC3)CC2)cc(N)c1Cl ZINC000164727868 226095610 /nfs/dbraw/zinc/09/56/10/226095610.db2.gz AKOYRUGYWGYDGI-UHFFFAOYSA-N 0 0 329.853 1.699 10 0 EDAERN CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165882580 226140303 /nfs/dbraw/zinc/14/03/03/226140303.db2.gz UEXCXCDPUJIECO-UHFFFAOYSA-N 0 0 340.232 1.284 10 0 EDAERN C[C@H](CCO)Sc1nc[nH]c(=O)c1I ZINC000165990452 226143669 /nfs/dbraw/zinc/14/36/69/226143669.db2.gz PQJWCNAQIGHFKI-RXMQYKEDSA-N 0 0 326.159 1.238 10 0 EDAERN CO[C@@H](C)Cn1cnc(Cl)c(I)c1=O ZINC000166354561 226155091 /nfs/dbraw/zinc/15/50/91/226155091.db2.gz WRXMLWXMKFWLEQ-YFKPBYRVSA-N 0 0 328.537 1.536 10 0 EDAERN O=c1c(I)c(Cl)ncn1[C@H]1CCOC1 ZINC000166337018 226155202 /nfs/dbraw/zinc/15/52/02/226155202.db2.gz SXSLVWNXUGCVAJ-YFKPBYRVSA-N 0 0 326.521 1.463 10 0 EDAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(N)ccc1Br ZINC000166794990 226169096 /nfs/dbraw/zinc/16/90/96/226169096.db2.gz CVVVNRGLYIBRSS-SFYZADRCSA-N 0 0 337.239 1.327 10 0 EDAERN Cc1ccc(S(=O)(=O)NCc2nnc3nc(C)cc(C)n23)cc1 ZINC000169874946 226590592 /nfs/dbraw/zinc/59/05/92/226590592.db2.gz MOADLUXACYNIAA-UHFFFAOYSA-N 0 0 331.401 1.528 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)CCNC(=O)OCC(F)(F)F)cn1 ZINC000171348365 227030430 /nfs/dbraw/zinc/03/04/30/227030430.db2.gz CGMCEEYMLBQGGY-LLVKDONJSA-N 0 0 348.325 1.762 10 0 EDAERN COc1ccc(F)cc1NC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000122255735 222047289 /nfs/dbraw/zinc/04/72/89/222047289.db2.gz IDHIVJBYMOZMEC-ZDUSSCGKSA-N 0 0 335.339 1.866 10 0 EDAERN COc1ccc(F)cc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000122387981 222076464 /nfs/dbraw/zinc/07/64/64/222076464.db2.gz ZFNJNNCONFECKK-CYBMUJFWSA-N 0 0 334.351 1.964 10 0 EDAERN CC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000123502921 222287787 /nfs/dbraw/zinc/28/77/87/222287787.db2.gz FBUURTZTHGPQRZ-HOCLYGCPSA-N 0 0 349.406 1.234 10 0 EDAERN COC[C@H](C)C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000171532620 227125856 /nfs/dbraw/zinc/12/58/56/227125856.db2.gz GTRHWIBRTBIIRY-NSHDSACASA-N 0 0 326.418 1.225 10 0 EDAERN Cc1cccc(C)c1OC[C@@H](C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171869375 227326543 /nfs/dbraw/zinc/32/65/43/227326543.db2.gz ONLKJNIZDGDUTO-HUUCEWRRSA-N 0 0 343.431 1.976 10 0 EDAERN CCc1nnc(CN(CCOC)Cc2ccc3c(c2)OCO3)n1C ZINC000171884374 227335757 /nfs/dbraw/zinc/33/57/57/227335757.db2.gz WXYABPVRVFZDFF-UHFFFAOYSA-N 0 0 332.404 1.755 10 0 EDAERN Cc1cccc2c1N(C(=O)C(=O)N1CC[C@@H](c3cnn(C)c3)C1)CC2 ZINC000172206345 227539999 /nfs/dbraw/zinc/53/99/99/227539999.db2.gz MAZNRTKYZBKTJY-OAHLLOKOSA-N 0 0 338.411 1.634 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 ZINC000134336933 287553704 /nfs/dbraw/zinc/55/37/04/287553704.db2.gz IBTSVRZDQQJXPQ-ONGXEEELSA-N 0 0 326.360 1.003 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)O1 ZINC000151479641 287596753 /nfs/dbraw/zinc/59/67/53/287596753.db2.gz WFYJUEMDHJTTSY-OCCSQVGLSA-N 0 0 343.387 1.101 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000193576642 272996125 /nfs/dbraw/zinc/99/61/25/272996125.db2.gz RYPOJCHYNHWNOQ-KXBFYZLASA-N 0 0 346.427 1.925 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCC(=O)N(C)C ZINC000193505186 272994866 /nfs/dbraw/zinc/99/48/66/272994866.db2.gz RLKLLNMSZZPBFJ-PBHICJAKSA-N 0 0 347.459 1.816 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)CC1(O)CCCC1)CC2 ZINC000181750213 267647536 /nfs/dbraw/zinc/64/75/36/267647536.db2.gz QBOUCZHBQSDJPG-CYBMUJFWSA-N 0 0 335.452 1.663 10 0 EDAERN Cc1noc(CCC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000194957729 267874675 /nfs/dbraw/zinc/87/46/75/267874675.db2.gz YJOLKAQVZGGMQJ-SNVBAGLBSA-N 0 0 326.397 1.730 10 0 EDAERN C[C@H](CNC(=O)N(C)CCCOc1ccccc1)N1CCOCC1 ZINC000046262542 272912324 /nfs/dbraw/zinc/91/23/24/272912324.db2.gz RWNFIVGXPQVLEH-MRXNPFEDSA-N 0 0 335.448 1.818 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCCCCN(C)C(=O)[C@@H]2CC[C@@H](C)O2)O1 ZINC000246864401 287752992 /nfs/dbraw/zinc/75/29/92/287752992.db2.gz PTQZXVCDXWNURG-TUVASFSCSA-N 0 0 326.437 1.476 10 0 EDAERN COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000092320862 277416690 /nfs/dbraw/zinc/41/66/90/277416690.db2.gz LWQKNECFELXOFO-LLVKDONJSA-N 0 0 347.350 1.324 10 0 EDAERN C[C@@H](NC(=O)c1cnn2ccncc12)C1(N2CCOCC2)CCCC1 ZINC000189128344 277613763 /nfs/dbraw/zinc/61/37/63/277613763.db2.gz NYPFBMPPRZERET-CQSZACIVSA-N 0 0 343.431 1.493 10 0 EDAERN CC1(C)CN(C(=O)N[C@@H]2CCOc3ccccc32)CCS1(=O)=O ZINC000176470361 278305653 /nfs/dbraw/zinc/30/56/53/278305653.db2.gz TVNAEOFNIHVFIJ-CYBMUJFWSA-N 0 0 338.429 1.729 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCC(=O)NC23CCC3)C[C@@]12CCCO2 ZINC000334093946 280051496 /nfs/dbraw/zinc/05/14/96/280051496.db2.gz PYRKQQBELGDKMM-YEWWUXTCSA-N 0 0 335.448 1.787 10 0 EDAERN Cc1oc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1S(N)(=O)=O ZINC000088578419 294029131 /nfs/dbraw/zinc/02/91/31/294029131.db2.gz AINFPPKJMGHRBU-GHMZBOCLSA-N 0 0 328.390 1.019 10 0 EDAERN Cc1cccc(S(=O)(=O)CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000167750307 302007431 /nfs/dbraw/zinc/00/74/31/302007431.db2.gz PQCBINAIMBTTSY-MRXNPFEDSA-N 0 0 338.473 1.711 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000172603294 302759037 /nfs/dbraw/zinc/75/90/37/302759037.db2.gz XPMBASWAXMAEMO-KBPBESRZSA-N 0 0 343.435 1.490 10 0 EDAERN Cc1nn(C)c(N)c1[C@]1(O)c2cc(Br)ccc2NC1=O ZINC000227173501 302785788 /nfs/dbraw/zinc/78/57/88/302785788.db2.gz TZLCWSPPYSVJNG-CYBMUJFWSA-N 0 0 337.177 1.261 10 0 EDAERN O=C(NCc1ccc(CO)c(F)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171905944 302945327 /nfs/dbraw/zinc/94/53/27/302945327.db2.gz UDZKOGJPYIJBSU-HNNXBMFYSA-N 0 0 348.378 1.125 10 0 EDAERN COCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1F ZINC000003020464 440885694 /nfs/dbraw/zinc/88/56/94/440885694.db2.gz IKCNTURKEMJMKE-UHFFFAOYSA-N 0 0 344.408 1.377 10 0 EDAERN COC(=O)CCCNS(=O)(=O)c1cccc(Br)c1 ZINC000007304570 441044562 /nfs/dbraw/zinc/04/45/62/441044562.db2.gz RXTRFJDJJFQFRT-UHFFFAOYSA-N 0 0 336.207 1.681 10 0 EDAERN CCOc1cc(CCNS(=O)(=O)c2ccc(N)cc2)ccc1O ZINC000008020531 441080307 /nfs/dbraw/zinc/08/03/07/441080307.db2.gz QQWYGLBQIQYWQN-UHFFFAOYSA-N 0 0 336.413 1.894 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCc1cn2ccccc2n1 ZINC000012666028 441137915 /nfs/dbraw/zinc/13/79/15/441137915.db2.gz IZIQZYYGXGMIJF-GFCCVEGCSA-N 0 0 326.356 1.405 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)o1 ZINC000080145189 441145293 /nfs/dbraw/zinc/14/52/93/441145293.db2.gz CKJUSGXHTURRDZ-SECBINFHSA-N 0 0 333.319 1.642 10 0 EDAERN CN(CC(=O)NC1CC1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000057946475 441145683 /nfs/dbraw/zinc/14/56/83/441145683.db2.gz XPZDXMFTYUSETL-HNNXBMFYSA-N 0 0 326.824 1.428 10 0 EDAERN C[C@H](C(=O)NCc1cn2ccccc2n1)N1C(=O)c2ccccc2C1=O ZINC000071435379 441146778 /nfs/dbraw/zinc/14/67/78/441146778.db2.gz KTUYVMWQQLEBPO-GFCCVEGCSA-N 0 0 348.362 1.635 10 0 EDAERN CC(C)(C)OC(=O)[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)[C@@H]1[NH3+] ZINC000071617693 441147859 /nfs/dbraw/zinc/14/78/59/441147859.db2.gz UEBZABGVZOODOF-KBXCAEBGSA-N 0 0 334.416 1.980 10 0 EDAERN Cc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000013700300 441165188 /nfs/dbraw/zinc/16/51/88/441165188.db2.gz FTFVEUDBDRAWST-UHFFFAOYSA-N 0 0 337.387 1.787 10 0 EDAERN COCCOc1ccc(Cc2cnc(N)nc2N)cc1OCCOC ZINC000013726768 441165839 /nfs/dbraw/zinc/16/58/39/441165839.db2.gz LMMYDNOLGSNIBJ-UHFFFAOYSA-N 0 0 348.403 1.282 10 0 EDAERN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000016676940 441230418 /nfs/dbraw/zinc/23/04/18/441230418.db2.gz PBTKNYLVBXDIMG-TXEJJXNPSA-N 0 0 337.445 1.829 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1cccc(OC(F)F)c1 ZINC000104783390 441208407 /nfs/dbraw/zinc/20/84/07/441208407.db2.gz FZIIIYLGWFBTDN-FZMZJTMJSA-N 0 0 343.374 1.979 10 0 EDAERN C[C@H](CNC(=O)NCc1nc(C(C)(C)C)cs1)N1CCOCC1 ZINC000104782237 441208476 /nfs/dbraw/zinc/20/84/76/441208476.db2.gz ARYQWKZJAGQBCX-GFCCVEGCSA-N 0 0 340.493 1.961 10 0 EDAERN CC(C)c1nc(CCNC(=O)NC[C@H]2CN(C)CCO2)cs1 ZINC000104795506 441210893 /nfs/dbraw/zinc/21/08/93/441210893.db2.gz CXKHMZSWBDUXOF-ZDUSSCGKSA-N 0 0 326.466 1.439 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)N[C@@H]1COc2ccccc21 ZINC000060471886 441245128 /nfs/dbraw/zinc/24/51/28/441245128.db2.gz PXRIGDDMUIDHTO-CQSZACIVSA-N 0 0 332.306 1.945 10 0 EDAERN COc1ccccc1CNC(=O)c1cnc(N2CCOCC2)nc1C ZINC000021035356 441268096 /nfs/dbraw/zinc/26/80/96/441268096.db2.gz SUFWHWDAEWZTFO-UHFFFAOYSA-N 0 0 342.399 1.560 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)NCCC(C)(C)C)CC2)nn1 ZINC000105801668 441273319 /nfs/dbraw/zinc/27/33/19/441273319.db2.gz MWQYPUSELBCYDP-UHFFFAOYSA-N 0 0 333.480 1.850 10 0 EDAERN O=C(CSCc1cccnc1)N1CCCN(c2cccnn2)CC1 ZINC000105811324 441276887 /nfs/dbraw/zinc/27/68/87/441276887.db2.gz VWHAFBPYIQMZSH-UHFFFAOYSA-N 0 0 343.456 1.844 10 0 EDAERN COCCN1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000105832252 441285641 /nfs/dbraw/zinc/28/56/41/441285641.db2.gz KSVJYRWLKVDPFC-CQSZACIVSA-N 0 0 333.432 1.480 10 0 EDAERN CCOCCN1CCN([C@@H](C)C(=O)NCc2cccs2)C[C@@H]1C ZINC000105835088 441287556 /nfs/dbraw/zinc/28/75/56/441287556.db2.gz OCLJSLDGVKSTAW-GJZGRUSLSA-N 0 0 339.505 1.795 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)NCC(C)C)CC2)n1 ZINC000106154046 441327841 /nfs/dbraw/zinc/32/78/41/441327841.db2.gz MRIXRTACOXOKKW-UHFFFAOYSA-N 0 0 335.452 1.078 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@H](C)C(=O)NCC(C)C)CC2)n1 ZINC000106153839 441328295 /nfs/dbraw/zinc/32/82/95/441328295.db2.gz UFCQQYYESODMIA-OAHLLOKOSA-N 0 0 349.479 1.466 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000106378644 441335645 /nfs/dbraw/zinc/33/56/45/441335645.db2.gz WMAJXMCSKASCDX-AWEZNQCLSA-N 0 0 341.481 1.598 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000106395074 441338760 /nfs/dbraw/zinc/33/87/60/441338760.db2.gz QVEQZLLCYJUWGE-RDJZCZTQSA-N 0 0 347.459 1.110 10 0 EDAERN CCc1ccc([C@@H](COC)NC(=O)NC[C@@H](C)N2CCOCC2)o1 ZINC000073652321 441339087 /nfs/dbraw/zinc/33/90/87/441339087.db2.gz LEPCTZNTHRZDGL-UKRRQHHQSA-N 0 0 339.436 1.549 10 0 EDAERN CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1nc(CC(N)=O)cs1 ZINC000106455942 441345409 /nfs/dbraw/zinc/34/54/09/441345409.db2.gz YLVACYRIDAVYJX-ZDUSSCGKSA-N 0 0 332.429 1.282 10 0 EDAERN CC(C)[C@H](C)NC(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866064 441296836 /nfs/dbraw/zinc/29/68/36/441296836.db2.gz MBAMFUFZNGJTDU-INIZCTEOSA-N 0 0 349.523 1.916 10 0 EDAERN C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000024212518 441306202 /nfs/dbraw/zinc/30/62/02/441306202.db2.gz IRMIGIFZAWBPGL-NSHDSACASA-N 0 0 340.445 1.430 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)N(C)c3ccccc3)CCO2)n1 ZINC000105893206 441309971 /nfs/dbraw/zinc/30/99/71/441309971.db2.gz RSSJMPTVDQFVNQ-SFHVURJKSA-N 0 0 342.443 1.864 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)N(CC(C)C)C3CC3)CCO2)c1 ZINC000105892678 441310332 /nfs/dbraw/zinc/31/03/32/441310332.db2.gz ZIHABRIIBHFCMB-KRWDZBQOSA-N 0 0 334.464 1.539 10 0 EDAERN CCCN(C[C@H]1CCCCO1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000106529822 441350870 /nfs/dbraw/zinc/35/08/70/441350870.db2.gz MDRNOVXFPHPRLC-JKSUJKDBSA-N 0 0 327.469 1.698 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCc2c[nH]c3ccccc23)C1 ZINC000107746536 441429004 /nfs/dbraw/zinc/42/90/04/441429004.db2.gz BXRQZFYJXWYGPX-OAHLLOKOSA-N 0 0 330.432 1.730 10 0 EDAERN CCS(=O)(=O)NCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109095587 441488424 /nfs/dbraw/zinc/48/84/24/441488424.db2.gz BWEBVBSUOLAMAU-RYUDHWBXSA-N 0 0 346.399 1.514 10 0 EDAERN C[C@H](CNC(=O)Cc1ccc(Br)s1)N1CCOCC1 ZINC000074692497 441459266 /nfs/dbraw/zinc/45/92/66/441459266.db2.gz HCASQTPFKSDDGR-SNVBAGLBSA-N 0 0 347.278 1.890 10 0 EDAERN CCOC(=O)CN(Cc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000111685366 441539816 /nfs/dbraw/zinc/53/98/16/441539816.db2.gz AGTHVVXVNMAPEK-INIZCTEOSA-N 0 0 334.416 1.035 10 0 EDAERN COCCN1CCN([C@@H](C)c2nc(-c3cccnc3)no2)C[C@@H]1C ZINC000112981163 441574291 /nfs/dbraw/zinc/57/42/91/441574291.db2.gz BKRYODNKOHRCRL-KBPBESRZSA-N 0 0 331.420 1.845 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000089775938 441577901 /nfs/dbraw/zinc/57/79/01/441577901.db2.gz PROIZBYYQJDRQM-CQSZACIVSA-N 0 0 337.387 1.686 10 0 EDAERN C[C@H](NC(=O)Cn1cccnc1=O)c1cccc(Br)c1 ZINC000033042063 441586052 /nfs/dbraw/zinc/58/60/52/441586052.db2.gz DNXCEGSKNHSJMD-JTQLQIEISA-N 0 0 336.189 1.883 10 0 EDAERN CC[C@H](C)CS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000113291786 441598505 /nfs/dbraw/zinc/59/85/05/441598505.db2.gz AEUFLVRETVUIJU-RYUDHWBXSA-N 0 0 330.454 1.433 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000054814859 441600055 /nfs/dbraw/zinc/60/00/55/441600055.db2.gz DDZUTZUQCUBBKS-OAHLLOKOSA-N 0 0 327.384 1.192 10 0 EDAERN C[C@H](NC(=O)NCCN1C(=O)CNC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000113373710 441603363 /nfs/dbraw/zinc/60/33/63/441603363.db2.gz GTBAKCCMMFUKOC-IWERZKIRSA-N 0 0 348.447 1.442 10 0 EDAERN C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc2ccccc2c1 ZINC000113402839 441605308 /nfs/dbraw/zinc/60/53/08/441605308.db2.gz UTMGIZOXWFHTJH-LBPRGKRZSA-N 0 0 340.383 1.752 10 0 EDAERN O=C(c1cnc2sccn2c1=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113889831 441626418 /nfs/dbraw/zinc/62/64/18/441626418.db2.gz XNNCGRLVAZJBMU-LBPRGKRZSA-N 0 0 329.385 1.847 10 0 EDAERN COCCCN(C(=O)N[C@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000091219999 441678818 /nfs/dbraw/zinc/67/88/18/441678818.db2.gz ZLMKQXDIRHHTQM-CHWSQXEVSA-N 0 0 334.482 1.656 10 0 EDAERN Cn1cc([C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)CCC(=O)N2C)cn1 ZINC000115203174 441717911 /nfs/dbraw/zinc/71/79/11/441717911.db2.gz HTEWUBWEVQNLLU-RDJZCZTQSA-N 0 0 344.390 1.785 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)COCCOc1ccccc1)CC2 ZINC000114865666 441693171 /nfs/dbraw/zinc/69/31/71/441693171.db2.gz CSPSJNDHGRQGTR-CQSZACIVSA-N 0 0 344.415 1.367 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccncc3)on1)CC2 ZINC000114872746 441694554 /nfs/dbraw/zinc/69/45/54/441694554.db2.gz BKUFMRJMPHHIMI-GFCCVEGCSA-N 0 0 338.371 1.635 10 0 EDAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)NCC(=O)N2CCCC2)C1 ZINC000136655364 441710854 /nfs/dbraw/zinc/71/08/54/441710854.db2.gz FSHRZQGJJWUSDP-AWEZNQCLSA-N 0 0 333.436 1.007 10 0 EDAERN CC(C)(C)OC(=O)NCCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000158269427 441714640 /nfs/dbraw/zinc/71/46/40/441714640.db2.gz PVYWXKROPBVQPD-UHFFFAOYSA-N 0 0 337.424 1.823 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2c(C)noc2C)ncn1 ZINC000173414353 441741942 /nfs/dbraw/zinc/74/19/42/441741942.db2.gz FVEREKUIUQDKPI-ZDUSSCGKSA-N 0 0 344.419 1.451 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(=O)[nH]c2)ncn1 ZINC000173424028 441745047 /nfs/dbraw/zinc/74/50/47/441745047.db2.gz DCNVXIBGEYZNDI-GFCCVEGCSA-N 0 0 328.376 1.018 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000173431848 441749192 /nfs/dbraw/zinc/74/91/92/441749192.db2.gz GYNNOIQYHDOONC-CYBMUJFWSA-N 0 0 348.424 1.669 10 0 EDAERN COc1ccc([C@@H](CO)N(C)C(=O)NCCn2cc(C)cn2)cc1 ZINC000121651044 441751224 /nfs/dbraw/zinc/75/12/24/441751224.db2.gz NNHJHLAWRAFJRM-MRXNPFEDSA-N 0 0 332.404 1.575 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnc(C)n2)ncn1 ZINC000173446552 441753856 /nfs/dbraw/zinc/75/38/56/441753856.db2.gz NKMUUVUPACLOHB-LBPRGKRZSA-N 0 0 327.392 1.016 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)C1 ZINC000121681873 441758696 /nfs/dbraw/zinc/75/86/96/441758696.db2.gz MLSFFGSVVAEPRJ-IAGOWNOFSA-N 0 0 349.475 1.419 10 0 EDAERN CC(C)CCS(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115580858 441760116 /nfs/dbraw/zinc/76/01/16/441760116.db2.gz PTZLZZXPNBLQME-UHFFFAOYSA-N 0 0 328.482 1.304 10 0 EDAERN Cc1cccn2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)nc12 ZINC000136836620 441727984 /nfs/dbraw/zinc/72/79/84/441727984.db2.gz GKIATPKNNKWGRJ-UHFFFAOYSA-N 0 0 327.315 1.778 10 0 EDAERN Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CCOc3ccccc31)CC2 ZINC000173374140 441728375 /nfs/dbraw/zinc/72/83/75/441728375.db2.gz OELACUZUYVCKNL-OAHLLOKOSA-N 0 0 340.383 1.372 10 0 EDAERN Cc1nnc([C@H]2CN(CCC(=O)Nc3cccc(F)c3)CCO2)[nH]1 ZINC000173655814 441816671 /nfs/dbraw/zinc/81/66/71/441816671.db2.gz QSZKNNSAJGEETL-CQSZACIVSA-N 0 0 333.367 1.654 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000121757070 441773648 /nfs/dbraw/zinc/77/36/48/441773648.db2.gz YDJHFEWJVYZARH-LLVKDONJSA-N 0 0 348.428 1.857 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Cn3nc(C)c(Cl)c3C)CCO2)[nH]1 ZINC000173550174 441787469 /nfs/dbraw/zinc/78/74/69/441787469.db2.gz NDBYAGNVYZEENA-NSHDSACASA-N 0 0 338.799 1.180 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cn3c(C)nc4ccccc43)CCO2)[nH]1 ZINC000173552991 441788915 /nfs/dbraw/zinc/78/89/15/441788915.db2.gz GLLMXHNFQJLRSR-OAHLLOKOSA-N 0 0 340.387 1.371 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)C3CCCC3)C2=O)n(C)n1 ZINC000173556871 441790069 /nfs/dbraw/zinc/79/00/69/441790069.db2.gz PFPBAHSXIOMROO-AWEZNQCLSA-N 0 0 333.436 1.808 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)C2)cn1 ZINC000116121291 441794996 /nfs/dbraw/zinc/79/49/96/441794996.db2.gz KVQTWMQCJSFETP-LBPRGKRZSA-N 0 0 338.367 1.276 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3cccs3)CC2)no1 ZINC000173992480 441874574 /nfs/dbraw/zinc/87/45/74/441874574.db2.gz AFBRNVQLZRQLBR-UHFFFAOYSA-N 0 0 335.433 1.857 10 0 EDAERN CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173934049 441865016 /nfs/dbraw/zinc/86/50/16/441865016.db2.gz DKDLJUCMOBASQZ-IBGZPJMESA-N 0 0 345.487 1.830 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(C)(C)C(N)=O ZINC000077819296 441868361 /nfs/dbraw/zinc/86/83/61/441868361.db2.gz UXDIWELCFAWLLO-JSGCOSHPSA-N 0 0 333.432 1.459 10 0 EDAERN CCc1nnc([C@@H]2CN(Cc3ccc(C(=O)OC)cc3)CCO2)[nH]1 ZINC000173686335 441823867 /nfs/dbraw/zinc/82/38/67/441823867.db2.gz SEIUYFPXDINFCM-AWEZNQCLSA-N 0 0 330.388 1.727 10 0 EDAERN Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116586649 441831788 /nfs/dbraw/zinc/83/17/88/441831788.db2.gz XCXWYFFDVSUFLO-AWEZNQCLSA-N 0 0 326.400 1.992 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](C)c3cccc(O)c3)CCO2)[nH]1 ZINC000140173084 441834145 /nfs/dbraw/zinc/83/41/45/441834145.db2.gz NMWVNNHJIFIAGO-FZMZJTMJSA-N 0 0 345.403 1.917 10 0 EDAERN O=C(NCCSc1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173765632 441836397 /nfs/dbraw/zinc/83/63/97/441836397.db2.gz JFOAFLGSZYOOEO-HNNXBMFYSA-N 0 0 335.473 1.895 10 0 EDAERN C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173775552 441837427 /nfs/dbraw/zinc/83/74/27/441837427.db2.gz SGXQNAJCVVGYCU-SFHVURJKSA-N 0 0 346.475 1.364 10 0 EDAERN CN(C)C(=O)Cn1cnc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000173778155 441839363 /nfs/dbraw/zinc/83/93/63/441839363.db2.gz RPMFWUCIRNMIQX-QWRGUYRKSA-N 0 0 349.341 1.387 10 0 EDAERN Cc1nccn1-c1cncc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1 ZINC000092922288 441841386 /nfs/dbraw/zinc/84/13/86/441841386.db2.gz QRADXXSLUYGEOD-KRWDZBQOSA-N 0 0 339.403 1.456 10 0 EDAERN Cc1cn2c(ncc(C(=O)N[C@@H]3CCCn4nc(C)nc43)c2=O)s1 ZINC000092949415 441842516 /nfs/dbraw/zinc/84/25/16/441842516.db2.gz RUVPRPAVXHDZKQ-LLVKDONJSA-N 0 0 344.400 1.229 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)C(=O)c1cnn(C)c1)c1ccccc1C ZINC000173814007 441844563 /nfs/dbraw/zinc/84/45/63/441844563.db2.gz UIOZILKVMIEGRM-OAHLLOKOSA-N 0 0 343.383 1.722 10 0 EDAERN C[C@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)C[C@@H]1N1CCOCC1 ZINC000173820866 441845217 /nfs/dbraw/zinc/84/52/17/441845217.db2.gz WSVIGGJAVNTAIQ-YOEHRIQHSA-N 0 0 345.443 1.181 10 0 EDAERN CCc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000093021802 441852159 /nfs/dbraw/zinc/85/21/59/441852159.db2.gz PFRCDSGVVWDQGW-CYBMUJFWSA-N 0 0 340.427 1.898 10 0 EDAERN CC[C@@H](O)CN1CCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000118857318 441907748 /nfs/dbraw/zinc/90/77/48/441907748.db2.gz HSFYCUPHWZZWDZ-MSOLQXFVSA-N 0 0 349.450 1.534 10 0 EDAERN Cc1nc(-c2ccc(NCCCCn3cnnc3)nc2)[nH]c(=O)c1C ZINC000078510513 441939014 /nfs/dbraw/zinc/93/90/14/441939014.db2.gz FPOLHOZPXAFPJD-UHFFFAOYSA-N 0 0 339.403 1.933 10 0 EDAERN Cc1ccc2ncc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)n2c1 ZINC000119803900 441956235 /nfs/dbraw/zinc/95/62/35/441956235.db2.gz BZOUXHQDXGEYSI-IFXJQAMLSA-N 0 0 341.411 1.770 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H]1c1nncn1C ZINC000120059892 442001414 /nfs/dbraw/zinc/00/14/14/442001414.db2.gz CVCURQAYHSCXMC-JSGCOSHPSA-N 0 0 342.403 1.689 10 0 EDAERN C[C@H]1CC[C@H](C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)O1 ZINC000150950912 441980731 /nfs/dbraw/zinc/98/07/31/441980731.db2.gz XUKOLAINAAQPHX-XJKSGUPXSA-N 0 0 334.391 1.607 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCCn1ccnc1C)CC2 ZINC000174969582 441989815 /nfs/dbraw/zinc/98/98/15/441989815.db2.gz QAQFPVPSSZRFNY-AWEZNQCLSA-N 0 0 345.451 1.440 10 0 EDAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151093649 442004671 /nfs/dbraw/zinc/00/46/71/442004671.db2.gz DOAKBDIDPDICCC-BEFAXECRSA-N 0 0 348.418 1.638 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N[C@@H](C)CN1CCOCC1 ZINC000175109868 442006269 /nfs/dbraw/zinc/00/62/69/442006269.db2.gz YZOGJFQEYCEKNO-JKSUJKDBSA-N 0 0 335.448 1.612 10 0 EDAERN CO[C@H](C)c1noc(CN2CCN(Cc3cnc(C)s3)CC2)n1 ZINC000175187293 442013890 /nfs/dbraw/zinc/01/38/90/442013890.db2.gz YFNNFHWXARCRIV-LLVKDONJSA-N 0 0 337.449 1.860 10 0 EDAERN CCCN(CC1CC1)S(=O)(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000151139167 442012326 /nfs/dbraw/zinc/01/23/26/442012326.db2.gz QRNQIINJBGCABH-INIZCTEOSA-N 0 0 339.461 1.902 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@H](C)N1CCSCC1)c1ccccc1 ZINC000151267784 442033829 /nfs/dbraw/zinc/03/38/29/442033829.db2.gz XSKUCALNNWLJIN-DZGCQCFKSA-N 0 0 336.457 1.844 10 0 EDAERN CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)NCC(C)C ZINC000096113004 442037324 /nfs/dbraw/zinc/03/73/24/442037324.db2.gz AAZLMVZEEXYOFF-DLBZAZTESA-N 0 0 347.459 1.719 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)O1 ZINC000151312193 442041225 /nfs/dbraw/zinc/04/12/25/442041225.db2.gz VSLNUROMUVKSTQ-RDJZCZTQSA-N 0 0 345.443 1.015 10 0 EDAERN C[C@H](CO)NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000125855396 442055754 /nfs/dbraw/zinc/05/57/54/442055754.db2.gz NBRRBHQRMVQIRV-CPUCHLNUSA-N 0 0 336.432 1.992 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC1(C)CCC1 ZINC000120462773 442076677 /nfs/dbraw/zinc/07/66/77/442076677.db2.gz DXVDURICOFJRGM-NSHDSACASA-N 0 0 335.429 1.420 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN1CCCCCC1=O ZINC000175627037 442095645 /nfs/dbraw/zinc/09/56/45/442095645.db2.gz TVANBGCDWXQMNK-AWEZNQCLSA-N 0 0 348.451 1.513 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)c1ccccc1F ZINC000175581293 442088713 /nfs/dbraw/zinc/08/87/13/442088713.db2.gz HYIHMJMGFOPIIG-ZIAGYGMSSA-N 0 0 326.368 1.746 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000126486967 442115916 /nfs/dbraw/zinc/11/59/16/442115916.db2.gz LEDDRMWGBDMWAZ-UHFFFAOYSA-N 0 0 330.392 1.034 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1sccc1OC)CC2 ZINC000120691744 442118435 /nfs/dbraw/zinc/11/84/35/442118435.db2.gz YBXHBFVXCUOJLM-VIFPVBQESA-N 0 0 342.446 1.204 10 0 EDAERN CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccccc2OCCC(N)=O)[C@@H](C)C1 ZINC000120718616 442122609 /nfs/dbraw/zinc/12/26/09/442122609.db2.gz CMDPHRSUWWAUGO-ZFWWWQNUSA-N 0 0 348.447 1.791 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126570307 442123612 /nfs/dbraw/zinc/12/36/12/442123612.db2.gz VWVBKFBPSWKYPI-UHFFFAOYSA-N 0 0 334.445 1.744 10 0 EDAERN C[C@H]1CN(C(=O)NCCOCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000175836559 442131787 /nfs/dbraw/zinc/13/17/87/442131787.db2.gz AQZVTJXAWYHUPD-FUHWJXTLSA-N 0 0 347.459 1.565 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000126696642 442135836 /nfs/dbraw/zinc/13/58/36/442135836.db2.gz NEVMGKIKRUDZIL-QMMMGPOBSA-N 0 0 338.355 1.292 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 ZINC000175907827 442143657 /nfs/dbraw/zinc/14/36/57/442143657.db2.gz MGXHANUSCSUYSQ-HNNXBMFYSA-N 0 0 342.399 1.674 10 0 EDAERN C[C@H](CNC(=O)Nc1cncc(Br)c1)N1CCOCC1 ZINC000126826089 442146761 /nfs/dbraw/zinc/14/67/61/442146761.db2.gz XCGKTBDZFJKSSZ-SNVBAGLBSA-N 0 0 343.225 1.686 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nccc(N)n1 ZINC000120588516 442100573 /nfs/dbraw/zinc/10/05/73/442100573.db2.gz VHIGHYRFWGAMQR-MLGOLLRUSA-N 0 0 341.415 1.520 10 0 EDAERN Cc1csc(NC(=O)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000176054396 442167740 /nfs/dbraw/zinc/16/77/40/442167740.db2.gz GPIICWMXBGHNDT-JTQLQIEISA-N 0 0 348.432 1.236 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Sc1ccccn1 ZINC000127107678 442170714 /nfs/dbraw/zinc/17/07/14/442170714.db2.gz IXMBOMQCYMLBLG-VXGBXAGGSA-N 0 0 347.444 1.951 10 0 EDAERN O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127131868 442174147 /nfs/dbraw/zinc/17/41/47/442174147.db2.gz OXQCBGAIOQZEPY-CYBMUJFWSA-N 0 0 338.371 1.881 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)N1CCC[C@@H]1Cn1ccnc1 ZINC000176185199 442187093 /nfs/dbraw/zinc/18/70/93/442187093.db2.gz GYDKIXKUOZQELH-CYBMUJFWSA-N 0 0 348.353 1.582 10 0 EDAERN Cc1ccccc1-n1nccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000152277637 442191729 /nfs/dbraw/zinc/19/17/29/442191729.db2.gz BGJIQGCDLFCHOX-AWEZNQCLSA-N 0 0 341.415 1.282 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000121257197 442196720 /nfs/dbraw/zinc/19/67/20/442196720.db2.gz MWVCVXKAJZALPV-CYBMUJFWSA-N 0 0 337.807 1.714 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)Cn2ncc(=O)c3ccccc32)C12CCC2 ZINC000152312001 442196759 /nfs/dbraw/zinc/19/67/59/442196759.db2.gz UFNSBKQUSMXCNY-SJORKVTESA-N 0 0 341.411 1.860 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)C(C)C ZINC000152367804 442203439 /nfs/dbraw/zinc/20/34/39/442203439.db2.gz SPXXQVWHDNESMV-YJBOKZPZSA-N 0 0 346.475 1.963 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126918932 442154297 /nfs/dbraw/zinc/15/42/97/442154297.db2.gz WPOKNGZZUAQUIY-AWEZNQCLSA-N 0 0 342.465 1.122 10 0 EDAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000175971920 442155718 /nfs/dbraw/zinc/15/57/18/442155718.db2.gz SDOSOBUMXRRNRO-ZDUSSCGKSA-N 0 0 329.360 1.821 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)ccc1Br ZINC000175997281 442159239 /nfs/dbraw/zinc/15/92/39/442159239.db2.gz NRZNBPCQJWCUJK-XVKPBYJWSA-N 0 0 327.178 1.921 10 0 EDAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CCC(Cn2cccn2)CC1 ZINC000120979710 442160605 /nfs/dbraw/zinc/16/06/05/442160605.db2.gz TVTWBELIPAAGNC-UHFFFAOYSA-N 0 0 337.383 1.672 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCCCN1CCOCC1)CC2 ZINC000176752139 442253763 /nfs/dbraw/zinc/25/37/63/442253763.db2.gz QJLPPXLCBLMRKO-OAHLLOKOSA-N 0 0 349.479 1.335 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCOC1CCCC1 ZINC000128254105 442255437 /nfs/dbraw/zinc/25/54/37/442255437.db2.gz CDZYUNPKEVCVAF-HNNXBMFYSA-N 0 0 346.493 1.656 10 0 EDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cnsn1 ZINC000176530615 442231624 /nfs/dbraw/zinc/23/16/24/442231624.db2.gz NGGYWOUNUKCTCY-LBPRGKRZSA-N 0 0 338.458 1.745 10 0 EDAERN CC(C)N(C(=O)C[S@](=O)Cc1nnnn1C(C)C)c1ccccc1 ZINC000176567574 442235100 /nfs/dbraw/zinc/23/51/00/442235100.db2.gz ZGDNQEOMUQNHOF-XMMPIXPASA-N 0 0 349.460 1.944 10 0 EDAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176580144 442237142 /nfs/dbraw/zinc/23/71/42/442237142.db2.gz LEGZAWMIANMVQU-UONOGXRCSA-N 0 0 333.411 1.289 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)C[C@@H]1N1CCOCC1 ZINC000176996058 442282218 /nfs/dbraw/zinc/28/22/18/442282218.db2.gz DUTUABYJYLXSAP-FZMZJTMJSA-N 0 0 346.399 1.306 10 0 EDAERN COc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000176998630 442282871 /nfs/dbraw/zinc/28/28/71/442282871.db2.gz HESPIZIYZUUFCZ-CYBMUJFWSA-N 0 0 335.339 1.866 10 0 EDAERN CC(=O)N1CCC(CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000170892174 442284433 /nfs/dbraw/zinc/28/44/33/442284433.db2.gz ZBADQJHHYHXLIX-CYBMUJFWSA-N 0 0 346.431 1.571 10 0 EDAERN CCCC[C@H](COC)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000129134294 442302811 /nfs/dbraw/zinc/30/28/11/442302811.db2.gz RRBPFMULAQMVEY-QWHCGFSZSA-N 0 0 332.400 1.993 10 0 EDAERN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000129586124 442324105 /nfs/dbraw/zinc/32/41/05/442324105.db2.gz CZEHCFXCIXPVPD-OAHLLOKOSA-N 0 0 343.431 1.738 10 0 EDAERN COC(=O)c1ccc(CN(C)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177346023 442330458 /nfs/dbraw/zinc/33/04/58/442330458.db2.gz NYGHDVAUXLRCRC-CQSZACIVSA-N 0 0 343.387 1.741 10 0 EDAERN CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000130267417 442342374 /nfs/dbraw/zinc/34/23/74/442342374.db2.gz ZOTLVTCRHOXZCI-ARFHVFGLSA-N 0 0 338.496 1.364 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000171475920 442351662 /nfs/dbraw/zinc/35/16/62/442351662.db2.gz XAVXJHIGMJEXNS-ZDUSSCGKSA-N 0 0 335.452 1.527 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3c[nH]c(=O)cc3C)CCO2)n1 ZINC000129463416 442317555 /nfs/dbraw/zinc/31/75/55/442317555.db2.gz GWNCAJOMCMNMJP-AWEZNQCLSA-N 0 0 330.388 1.038 10 0 EDAERN O=C(Nc1ccc(F)cc1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177630371 442364787 /nfs/dbraw/zinc/36/47/87/442364787.db2.gz PXVXOZKZGQREJJ-VIFPVBQESA-N 0 0 337.742 1.140 10 0 EDAERN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000177633481 442364832 /nfs/dbraw/zinc/36/48/32/442364832.db2.gz KZPRNJMOHPTDCX-CQSZACIVSA-N 0 0 341.415 1.645 10 0 EDAERN CCc1nc2ccccc2n1CC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000171653351 442367065 /nfs/dbraw/zinc/36/70/65/442367065.db2.gz QTFZVAAILWZSTM-HNNXBMFYSA-N 0 0 344.459 1.514 10 0 EDAERN Cc1cccnc1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172044414 442404017 /nfs/dbraw/zinc/40/40/17/442404017.db2.gz ZLAGTKWYJPGDPF-UHFFFAOYSA-N 0 0 328.420 1.863 10 0 EDAERN C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@@H]2Cn2ccnc2)NC1=O ZINC000177796179 442385706 /nfs/dbraw/zinc/38/57/06/442385706.db2.gz CGPXTKVBJLIHCW-CHWSQXEVSA-N 0 0 340.383 1.907 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCN3CCOC(C)(C)C3)C2)c1 ZINC000171906275 442389789 /nfs/dbraw/zinc/38/97/89/442389789.db2.gz RIWKLDDPCFLTNV-MRXNPFEDSA-N 0 0 349.479 1.649 10 0 EDAERN CC(C)[C@@](C)(O)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171926494 442391881 /nfs/dbraw/zinc/39/18/81/442391881.db2.gz BKXLCWPDDLSDJH-WBMJQRKESA-N 0 0 342.461 1.857 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCCn2ccnc2)[C@@H]1c1ccccc1 ZINC000171986493 442395793 /nfs/dbraw/zinc/39/57/93/442395793.db2.gz GPZXYNSHWZUDSQ-WBVHZDCISA-N 0 0 326.400 1.609 10 0 EDAERN Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)nc1 ZINC000172002490 442397900 /nfs/dbraw/zinc/39/79/00/442397900.db2.gz XPEQUYPITMXZMT-OAHLLOKOSA-N 0 0 340.431 1.329 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000178009790 442401783 /nfs/dbraw/zinc/40/17/83/442401783.db2.gz LIFAWMFHEMHSCA-GFCCVEGCSA-N 0 0 327.388 1.739 10 0 EDAERN CCOc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000177550288 442355908 /nfs/dbraw/zinc/35/59/08/442355908.db2.gz OZDCPYQJGGTZJH-HOCLYGCPSA-N 0 0 334.416 1.482 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ncn(C)c1Cl ZINC000177586606 442359791 /nfs/dbraw/zinc/35/97/91/442359791.db2.gz YLCZSKPIJNCWLA-MRVPVSSYSA-N 0 0 337.829 1.424 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ncccc1OCC(F)(F)F ZINC000177583112 442359907 /nfs/dbraw/zinc/35/99/07/442359907.db2.gz VOXUMXZYXNDQNK-SECBINFHSA-N 0 0 341.293 1.879 10 0 EDAERN Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)cc1F ZINC000178110572 442408476 /nfs/dbraw/zinc/40/84/76/442408476.db2.gz HZAMKUHPGWENNW-XJKSGUPXSA-N 0 0 334.391 1.986 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NCC2CC2)CC1 ZINC000172119109 442411193 /nfs/dbraw/zinc/41/11/93/442411193.db2.gz RKSHOSNFQVAISZ-UHFFFAOYSA-N 0 0 339.871 1.873 10 0 EDAERN COc1cc(C)ccc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000155627479 442414324 /nfs/dbraw/zinc/41/43/24/442414324.db2.gz JUECGDJZISTSSF-INIZCTEOSA-N 0 0 333.432 1.620 10 0 EDAERN Cn1c(=O)oc2c1cccc2C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000133380248 442415023 /nfs/dbraw/zinc/41/50/23/442415023.db2.gz WUWQROFTOFSPBT-XIKOKIGWSA-N 0 0 330.384 1.899 10 0 EDAERN O=C(CCc1nc(-c2ccccn2)no1)NC[C@@H]1CCCC[C@@H]1O ZINC000155793220 442428179 /nfs/dbraw/zinc/42/81/79/442428179.db2.gz BWXBSDVUIAISBZ-JSGCOSHPSA-N 0 0 330.388 1.732 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2ccccc2F)C1)C(C)C ZINC000178435689 442433615 /nfs/dbraw/zinc/43/36/15/442433615.db2.gz PLTMTHRJAILLOP-HUUCEWRRSA-N 0 0 337.395 1.679 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccc(=O)n(CC)c2)C[C@@H]1C ZINC000172272388 442434081 /nfs/dbraw/zinc/43/40/81/442434081.db2.gz MDMJDSHHAKQAIF-AWEZNQCLSA-N 0 0 336.436 1.443 10 0 EDAERN Cc1cnn(CCNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000172292799 442436158 /nfs/dbraw/zinc/43/61/58/442436158.db2.gz ZHCKJUPTBREQNG-ZDUSSCGKSA-N 0 0 339.440 1.794 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccn(Cc2ccncc2)n1)N1CCOCC1 ZINC000172370070 442451060 /nfs/dbraw/zinc/45/10/60/442451060.db2.gz GDKWHSRXFVMSHL-AWEZNQCLSA-N 0 0 344.419 1.169 10 0 EDAERN O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172395931 442454531 /nfs/dbraw/zinc/45/45/31/442454531.db2.gz IWQCESWBODQUFO-CYBMUJFWSA-N 0 0 337.383 1.672 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCCN(C)c1ccccc1 ZINC000156513758 442489006 /nfs/dbraw/zinc/48/90/06/442489006.db2.gz YUGZYHLNISQMCN-INIZCTEOSA-N 0 0 332.448 1.823 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191709722 442495068 /nfs/dbraw/zinc/49/50/68/442495068.db2.gz WZBLMPKJFQJCJC-OAHLLOKOSA-N 0 0 336.436 1.452 10 0 EDAERN COc1cccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000156574136 442496179 /nfs/dbraw/zinc/49/61/79/442496179.db2.gz RUNKHXRHCCIMFF-LBPRGKRZSA-N 0 0 328.372 1.590 10 0 EDAERN O=C(NCCc1ccc2c(c1)OCCO2)NC[C@@H]1CCCC[C@@H]1O ZINC000172591481 442497414 /nfs/dbraw/zinc/49/74/14/442497414.db2.gz MJGBPOVZWFUABD-GJZGRUSLSA-N 0 0 334.416 1.851 10 0 EDAERN O=C(Nc1cccnc1)C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000134592503 442498963 /nfs/dbraw/zinc/49/89/63/442498963.db2.gz UNAOVICGPHFRCD-DOMZBBRYSA-N 0 0 347.321 1.633 10 0 EDAERN CSCc1ccccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000186315374 442510594 /nfs/dbraw/zinc/51/05/94/442510594.db2.gz DARYSJYAVLDIPX-UHFFFAOYSA-N 0 0 332.429 1.809 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000179818718 442507732 /nfs/dbraw/zinc/50/77/32/442507732.db2.gz FYTNXJFMFHEYDZ-CVEARBPZSA-N 0 0 340.851 1.679 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C)C(C)C ZINC000178866160 442507770 /nfs/dbraw/zinc/50/77/70/442507770.db2.gz UOLJAQVBDKGSMR-HZPDHXFCSA-N 0 0 347.459 1.636 10 0 EDAERN CCn1cc(C2CCN(C(=O)NC[C@@H](C)N3CCOCC3)CC2)cn1 ZINC000156267830 442461750 /nfs/dbraw/zinc/46/17/50/442461750.db2.gz GHVYKMJPIDWAPO-OAHLLOKOSA-N 0 0 349.479 1.513 10 0 EDAERN COc1ccc(C[C@H](C)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000134271304 442463340 /nfs/dbraw/zinc/46/33/40/442463340.db2.gz JWSJUHVZDLRGQV-MAUKXSAKSA-N 0 0 343.427 1.998 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)C(C)C ZINC000178726017 442464183 /nfs/dbraw/zinc/46/41/83/442464183.db2.gz FRAPKOISOMTHMU-NQKKVCCDSA-N 0 0 337.464 1.300 10 0 EDAERN CN(C)c1ncccc1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000156306137 442465737 /nfs/dbraw/zinc/46/57/37/442465737.db2.gz VUQRFUPKXDJBQQ-UHFFFAOYSA-N 0 0 342.447 1.970 10 0 EDAERN CN(Cc1nc[nH]n1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179522557 442471611 /nfs/dbraw/zinc/47/16/11/442471611.db2.gz BJENFKIHGLEGPH-WFASDCNBSA-N 0 0 331.351 1.122 10 0 EDAERN COC[C@H](C)CNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172489171 442472036 /nfs/dbraw/zinc/47/20/36/442472036.db2.gz YLVDWKAILGNNAP-NVXWUHKLSA-N 0 0 335.448 1.330 10 0 EDAERN COc1ccc(C(C)(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000134342772 442472330 /nfs/dbraw/zinc/47/23/30/442472330.db2.gz FGPUAYFDBDWVLR-ZDUSSCGKSA-N 0 0 344.415 1.704 10 0 EDAERN CCN1CCC[C@H](NS(=O)(=O)c2cccc(C)c2C(=O)OC)C1 ZINC000156690263 442509527 /nfs/dbraw/zinc/50/95/27/442509527.db2.gz KXFDYCJCJRWXCD-ZDUSSCGKSA-N 0 0 340.445 1.544 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc1F ZINC000186186813 442480431 /nfs/dbraw/zinc/48/04/31/442480431.db2.gz OGAMVVPIMWREHW-UHFFFAOYSA-N 0 0 342.392 1.124 10 0 EDAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000178777698 442482947 /nfs/dbraw/zinc/48/29/47/442482947.db2.gz FCNDUQWGCKAKBX-GXTWGEPZSA-N 0 0 346.387 1.455 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1C ZINC000172750569 442534223 /nfs/dbraw/zinc/53/42/23/442534223.db2.gz MTGQDVKRZYKBAZ-MRXNPFEDSA-N 0 0 331.416 1.500 10 0 EDAERN CCO[C@@H]1C[C@@H](Nc2ccc(OCC(N)=O)cc2)C12CCOCC2 ZINC000186449909 442536769 /nfs/dbraw/zinc/53/67/69/442536769.db2.gz QZQBFNNAXOLJLR-HZPDHXFCSA-N 0 0 334.416 1.937 10 0 EDAERN C[C@@H](CNC(=O)c1cc2c(cc1F)NC(=O)CC2)N1CCOCC1 ZINC000134924227 442536910 /nfs/dbraw/zinc/53/69/10/442536910.db2.gz VEPXLHLCNJLPEJ-NSHDSACASA-N 0 0 335.379 1.161 10 0 EDAERN O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172769222 442539879 /nfs/dbraw/zinc/53/98/79/442539879.db2.gz BWXKMRFLAYHFNI-QGZVFWFLSA-N 0 0 326.400 1.419 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000191994943 442558641 /nfs/dbraw/zinc/55/86/41/442558641.db2.gz FXUYKBQQKIFSGX-HNNXBMFYSA-N 0 0 339.480 1.504 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3ccc(N4CCCC4)nc3)CCO2)[nH]1 ZINC000180109540 442542960 /nfs/dbraw/zinc/54/29/60/442542960.db2.gz ZMPIKUAXMUOAMF-OAHLLOKOSA-N 0 0 328.420 1.682 10 0 EDAERN CCC[C@H](C)NC(=O)[C@H](C)N1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191994818 442558781 /nfs/dbraw/zinc/55/87/81/442558781.db2.gz BDXDZDYQECISIL-KBPBESRZSA-N 0 0 327.469 1.551 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000157094370 442549529 /nfs/dbraw/zinc/54/95/29/442549529.db2.gz IMWAXFGFSREZGP-CYBMUJFWSA-N 0 0 348.428 1.589 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CCO2)cn1 ZINC000191786014 442511020 /nfs/dbraw/zinc/51/10/20/442511020.db2.gz LSIMXZGZPZGAPI-IUODEOHRSA-N 0 0 346.387 1.214 10 0 EDAERN C[C@@H](CNC(=O)Nc1cnn(Cc2ccccn2)c1)N1CCOCC1 ZINC000172706548 442524011 /nfs/dbraw/zinc/52/40/11/442524011.db2.gz KNAFEUDMXZJPPD-AWEZNQCLSA-N 0 0 344.419 1.169 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCOc3c(C)cccc32)CC1 ZINC000191881507 442531633 /nfs/dbraw/zinc/53/16/33/442531633.db2.gz BLMNIBWUIUFYLV-DOTOQJQBSA-N 0 0 347.459 1.917 10 0 EDAERN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nnc2n1CCCC2 ZINC000135244220 442572475 /nfs/dbraw/zinc/57/24/75/442572475.db2.gz HUMOTQNCYXMEDM-JTQLQIEISA-N 0 0 341.371 1.436 10 0 EDAERN COCC(=O)N[C@H](C(=O)N[C@@H](C)COCc1ccccc1)C(C)C ZINC000172962078 442573790 /nfs/dbraw/zinc/57/37/90/442573790.db2.gz UTAIYLGSZXCNMI-YOEHRIQHSA-N 0 0 336.432 1.495 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000172959871 442573851 /nfs/dbraw/zinc/57/38/51/442573851.db2.gz YXJRTVCZRRKYHN-HIFRSBDPSA-N 0 0 325.430 1.533 10 0 EDAERN CCc1nc(-c2ccc(C(=O)N[C@@H](C(=O)NC)C(C)C)cc2)n[nH]1 ZINC000179126602 442578572 /nfs/dbraw/zinc/57/85/72/442578572.db2.gz QEFMIJLRDNAMHU-CQSZACIVSA-N 0 0 329.404 1.535 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000186772339 442608648 /nfs/dbraw/zinc/60/86/48/442608648.db2.gz SBJGPZOQIRTHQF-UHFFFAOYSA-N 0 0 343.435 1.324 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000157429528 442582937 /nfs/dbraw/zinc/58/29/37/442582937.db2.gz WVGIXMYKPSWRDU-HOTGVXAUSA-N 0 0 334.416 1.827 10 0 EDAERN C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@H](C(N)=O)O1 ZINC000157431256 442583184 /nfs/dbraw/zinc/58/31/84/442583184.db2.gz MNPCHCYZTBRMKO-IUODEOHRSA-N 0 0 343.383 1.375 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)C(F)(F)C1(O)CCC1)CC2 ZINC000179149569 442583594 /nfs/dbraw/zinc/58/35/94/442583594.db2.gz AJSHJCQNWHCXSW-SNVBAGLBSA-N 0 0 328.363 1.383 10 0 EDAERN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186682549 442591636 /nfs/dbraw/zinc/59/16/36/442591636.db2.gz PLFCNOBJHACCHG-UKRRQHHQSA-N 0 0 325.453 1.162 10 0 EDAERN CO[C@](C)(C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1F ZINC000192136952 442600656 /nfs/dbraw/zinc/60/06/56/442600656.db2.gz PGKJEQCEGZZJHL-KSSFIOAISA-N 0 0 336.407 1.620 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000180224501 442561300 /nfs/dbraw/zinc/56/13/00/442561300.db2.gz ZZVVVNIRYYYMNV-AWEZNQCLSA-N 0 0 343.387 1.269 10 0 EDAERN COc1ccc(-c2ncc(C(=O)NC[C@H]3CN(C)CCO3)s2)cc1 ZINC000172921822 442568262 /nfs/dbraw/zinc/56/82/62/442568262.db2.gz RMGWCPCDFLYMKQ-AWEZNQCLSA-N 0 0 347.440 1.879 10 0 EDAERN C[C@H](C[S@@](C)=O)N(C)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000157281841 442568244 /nfs/dbraw/zinc/56/82/44/442568244.db2.gz URMFRLRDOVNSSL-DBYOKNNSSA-N 0 0 346.493 1.905 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C ZINC000179082851 442568335 /nfs/dbraw/zinc/56/83/35/442568335.db2.gz PZTZEJNHAIBSRJ-CQSZACIVSA-N 0 0 333.432 1.809 10 0 EDAERN O=C(c1cccc(-n2cnnn2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135810964 442635396 /nfs/dbraw/zinc/63/53/96/442635396.db2.gz CMHLKOYGBQVUPZ-INIZCTEOSA-N 0 0 336.355 1.351 10 0 EDAERN Cc1ccc(S(=O)(=O)CCCN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000180622940 442637267 /nfs/dbraw/zinc/63/72/67/442637267.db2.gz PJVUOAZYBUZHDN-INIZCTEOSA-N 0 0 340.489 1.421 10 0 EDAERN COc1ccc(C[C@H](C)C(=O)NC[C@H]2CN(C)CCO2)cc1OC ZINC000180641892 442640205 /nfs/dbraw/zinc/64/02/05/442640205.db2.gz TWAHKMHHRSZYGQ-ZFWWWQNUSA-N 0 0 336.432 1.329 10 0 EDAERN CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H](C)N2CCOCC2)CCO1 ZINC000180490884 442611031 /nfs/dbraw/zinc/61/10/31/442611031.db2.gz YNPQHGSXKHGJOL-OIISXLGYSA-N 0 0 341.496 1.990 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)CC)CC1 ZINC000192215868 442615040 /nfs/dbraw/zinc/61/50/40/442615040.db2.gz XBUXIWZFZZWCCN-UHFFFAOYSA-N 0 0 334.482 1.464 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2F)C1 ZINC000180533262 442617798 /nfs/dbraw/zinc/61/77/98/442617798.db2.gz IJCRYKZHWSEJPR-ZDUSSCGKSA-N 0 0 349.406 1.980 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000173201039 442622701 /nfs/dbraw/zinc/62/27/01/442622701.db2.gz AADPPSXCHPTXLY-INIZCTEOSA-N 0 0 341.415 1.605 10 0 EDAERN O=C(CCCCc1c[nH]nn1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000157952588 442631896 /nfs/dbraw/zinc/63/18/96/442631896.db2.gz XCYUJGUTRRMOEH-CQSZACIVSA-N 0 0 329.408 1.093 10 0 EDAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000181298383 442689212 /nfs/dbraw/zinc/68/92/12/442689212.db2.gz KYPQROWJHKBVRN-JQAFLVLXSA-N 0 0 334.391 1.595 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cccc3ncccc32)C1)C1CC1 ZINC000187922946 442698203 /nfs/dbraw/zinc/69/82/03/442698203.db2.gz BJNVEPQVXWDNNO-UHFFFAOYSA-N 0 0 331.397 1.134 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1 ZINC000188050065 442705332 /nfs/dbraw/zinc/70/53/32/442705332.db2.gz KLTLFUNUVAGVOL-QWHCGFSZSA-N 0 0 340.399 1.655 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](CCO)c1ccco1)CC2 ZINC000187288804 442667979 /nfs/dbraw/zinc/66/79/79/442667979.db2.gz FTUAMDLGMVFUOA-NWDGAFQWSA-N 0 0 333.392 1.171 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCc3cccnc32)C[C@@H]1N1CCOCC1 ZINC000192612911 442668429 /nfs/dbraw/zinc/66/84/29/442668429.db2.gz MSSOEHWUWZLCCM-OIISXLGYSA-N 0 0 329.444 1.681 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)ccc1Cl ZINC000193131062 442716109 /nfs/dbraw/zinc/71/61/09/442716109.db2.gz AHSCUACLGSWGAR-LLVKDONJSA-N 0 0 349.778 1.530 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1nc(C)c(C)s1 ZINC000193138902 442716560 /nfs/dbraw/zinc/71/65/60/442716560.db2.gz PULFCFAYMAVNFB-SNVBAGLBSA-N 0 0 348.432 1.504 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ccc[nH]2)ncn1 ZINC000188204430 442723857 /nfs/dbraw/zinc/72/38/57/442723857.db2.gz PYOFEOWTHBLXJV-PSKZRQQASA-N 0 0 326.404 1.645 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCc3c2cccc3OC)CC1 ZINC000181988339 442725972 /nfs/dbraw/zinc/72/59/72/442725972.db2.gz ZBQNMTGBGPFFLW-RHSMWYFYSA-N 0 0 347.459 1.781 10 0 EDAERN CC(C)[C@@](C)(O)CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188234273 442727424 /nfs/dbraw/zinc/72/74/24/442727424.db2.gz UJLZWSRRKDDBHE-OZVIIMIRSA-N 0 0 332.416 1.857 10 0 EDAERN COCc1ccccc1CNC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000193290936 442730299 /nfs/dbraw/zinc/73/02/99/442730299.db2.gz YCJPDQFURYTZAA-HZPDHXFCSA-N 0 0 342.395 1.400 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000193392061 442738355 /nfs/dbraw/zinc/73/83/55/442738355.db2.gz NSVAEONMLURITH-TURKWSHLSA-N 0 0 326.343 1.166 10 0 EDAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)c2cccs2)n1 ZINC000188366008 442743616 /nfs/dbraw/zinc/74/36/16/442743616.db2.gz UXGKQLTWOWOBGO-WDEREUQCSA-N 0 0 336.417 1.968 10 0 EDAERN C[C@@H](NC(=O)CCc1ccc(O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000193457527 442744445 /nfs/dbraw/zinc/74/44/45/442744445.db2.gz CBZDUSGCTOVZNZ-GFCCVEGCSA-N 0 0 348.424 1.850 10 0 EDAERN CCc1ccc(C(C)(C)CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000193470668 442746273 /nfs/dbraw/zinc/74/62/73/442746273.db2.gz UPMYYAIYBBJEGC-IAGOWNOFSA-N 0 0 332.444 1.625 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000188097212 442710950 /nfs/dbraw/zinc/71/09/50/442710950.db2.gz SPLNUOAREWTEKH-OTYXRUKQSA-N 0 0 337.326 1.195 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000193090588 442711957 /nfs/dbraw/zinc/71/19/57/442711957.db2.gz DIZHEJYMYZHPCD-NWDGAFQWSA-N 0 0 326.780 1.707 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000188112098 442712840 /nfs/dbraw/zinc/71/28/40/442712840.db2.gz ZSXLEPFBYZSOJR-GFCCVEGCSA-N 0 0 329.422 1.374 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(C)o1 ZINC000181726925 442712942 /nfs/dbraw/zinc/71/29/42/442712942.db2.gz FXHYLDFLIQVSLG-GFCCVEGCSA-N 0 0 338.433 1.905 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@@H](C)C[S@](C)=O)CC2)cn1 ZINC000182568616 442787828 /nfs/dbraw/zinc/78/78/28/442787828.db2.gz BRHOCTNCLDLKRB-YTEVENLXSA-N 0 0 326.466 1.559 10 0 EDAERN COC(=O)c1ccnc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000193797280 442788529 /nfs/dbraw/zinc/78/85/29/442788529.db2.gz CQYFGNPCMFESIG-CYBMUJFWSA-N 0 0 329.360 1.971 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc(-c3cccs3)on2)C[C@@H]1C ZINC000246607264 442796724 /nfs/dbraw/zinc/79/67/24/442796724.db2.gz BXVNNBGOMKBLFE-RYUDHWBXSA-N 0 0 335.429 1.930 10 0 EDAERN COCCOc1cccc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246693234 442804831 /nfs/dbraw/zinc/80/48/31/442804831.db2.gz JRMVGVKWDMDOHU-CABCVRRESA-N 0 0 336.432 1.239 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)[C@H]2CCCO2)ncn1 ZINC000246388154 442777492 /nfs/dbraw/zinc/77/74/92/442777492.db2.gz QWOBGDLZPATOAU-BFHYXJOUSA-N 0 0 348.451 1.354 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@H]2CC[C@H](CO)CC2)C1 ZINC000246830954 442816582 /nfs/dbraw/zinc/81/65/82/442816582.db2.gz SMURNBBBTFDPFC-MGPQQGTHSA-N 0 0 326.437 1.911 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)C(=O)Nc1ccc(F)nc1)C2 ZINC000182796214 442826875 /nfs/dbraw/zinc/82/68/75/442826875.db2.gz WGZPQUIWTXHXPT-UHFFFAOYSA-N 0 0 345.378 1.601 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)cn2C)C[C@H]1C ZINC000247015801 442828149 /nfs/dbraw/zinc/82/81/49/442828149.db2.gz WMZLVJFEXJTWEB-MNOVXSKESA-N 0 0 344.253 1.315 10 0 EDAERN O=C(NC1CN(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1)C1CCC1 ZINC000188900073 442839022 /nfs/dbraw/zinc/83/90/22/442839022.db2.gz YMPAIDARFGHNIW-KZNAEPCWSA-N 0 0 339.439 1.882 10 0 EDAERN CN1C(=O)Cc2cc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)ccc21 ZINC000194092355 442844247 /nfs/dbraw/zinc/84/42/47/442844247.db2.gz PQTXDCRYZZRZSR-OAHLLOKOSA-N 0 0 344.415 1.144 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000188958118 442849729 /nfs/dbraw/zinc/84/97/29/442849729.db2.gz WFVNCYJTVXDVJL-NVXWUHKLSA-N 0 0 339.399 1.771 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C(N)=O)[nH]n2)cc1C ZINC000188987230 442855811 /nfs/dbraw/zinc/85/58/11/442855811.db2.gz XQHWMYIFEIOCAN-OAHLLOKOSA-N 0 0 328.372 1.020 10 0 EDAERN CC[C@@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)Oc1ccccc1F ZINC000189216001 442899612 /nfs/dbraw/zinc/89/96/12/442899612.db2.gz SXDBTBUEYHHEBH-VNHYZAJKSA-N 0 0 338.379 1.081 10 0 EDAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000194195302 442860411 /nfs/dbraw/zinc/86/04/11/442860411.db2.gz ICIZIWRFFGCWDD-ZDUSSCGKSA-N 0 0 337.387 1.616 10 0 EDAERN CC[C@H]1CN(C(=O)NCCc2cccc(O)c2)CC[N@@H+]1C[C@H](C)O ZINC000248451799 442893539 /nfs/dbraw/zinc/89/35/39/442893539.db2.gz JYUVYKJHGGFJOO-HOCLYGCPSA-N 0 0 335.448 1.421 10 0 EDAERN CC[C@@H]1CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000248450258 442893570 /nfs/dbraw/zinc/89/35/70/442893570.db2.gz FMANWHYIQKDACI-WOSRLPQWSA-N 0 0 336.480 1.824 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000189187279 442893971 /nfs/dbraw/zinc/89/39/71/442893971.db2.gz LSNVWFARZPRTSY-WCQYABFASA-N 0 0 338.389 1.111 10 0 EDAERN COc1cccc(C(=O)N2CCCNC(=O)[C@@H]2C)c1OC(F)F ZINC000189241919 442903605 /nfs/dbraw/zinc/90/36/05/442903605.db2.gz DHYQBSPIXDCWJO-VIFPVBQESA-N 0 0 328.315 1.647 10 0 EDAERN COCc1c(C(=O)N2CCCNC(=O)[C@H]2C)cnn1-c1ccccc1 ZINC000189248625 442905167 /nfs/dbraw/zinc/90/51/67/442905167.db2.gz MKMSBOIAHWJCCE-CYBMUJFWSA-N 0 0 342.399 1.369 10 0 EDAERN CNS(=O)(=O)c1cccc([C@@H](C)NCc2nnnn2C(C)C)c1 ZINC000181944492 318493095 /nfs/dbraw/zinc/49/30/95/318493095.db2.gz IIUFDRBNQRLGTJ-LLVKDONJSA-N 0 0 338.437 1.013 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189268290 442908776 /nfs/dbraw/zinc/90/87/76/442908776.db2.gz KUJPVJBBKWOIGF-SNVBAGLBSA-N 0 0 325.796 1.498 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](CC)N2CCCC2=O)C12CCOCC2 ZINC000248631521 442911058 /nfs/dbraw/zinc/91/10/58/442911058.db2.gz HSODJDKFGJXYPR-RBSFLKMASA-N 0 0 338.448 1.478 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)N(C)CCCOc1ccccc1 ZINC000189285612 442912858 /nfs/dbraw/zinc/91/28/58/442912858.db2.gz MPUATENOFLOHKD-OAHLLOKOSA-N 0 0 333.432 1.124 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)c3cncc(Cl)n3)CC2)cn1 ZINC000189347995 442926522 /nfs/dbraw/zinc/92/65/22/442926522.db2.gz XKQCHUSHTZPLRO-UHFFFAOYSA-N 0 0 334.811 1.212 10 0 EDAERN Cc1cc(-n2c(C)cc(C(=O)N3CC(NC(=O)C4CC4)C3)c2C)no1 ZINC000189378537 442934455 /nfs/dbraw/zinc/93/44/55/442934455.db2.gz BCQHZCWZNYYQMD-UHFFFAOYSA-N 0 0 342.399 1.741 10 0 EDAERN Cc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)c(C)n1-c1nccs1 ZINC000189396034 442939345 /nfs/dbraw/zinc/93/93/45/442939345.db2.gz TXWUNJSMGVCXQX-UHFFFAOYSA-N 0 0 344.440 1.901 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC(C)(CO)CC2)C1 ZINC000183731023 442956188 /nfs/dbraw/zinc/95/61/88/442956188.db2.gz BUCGHQCNXINSAA-ZDUSSCGKSA-N 0 0 326.437 1.864 10 0 EDAERN CSc1ccc(O[C@@H](C)C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189487413 442966439 /nfs/dbraw/zinc/96/64/39/442966439.db2.gz IVFUOTRXKGFRBA-NSHDSACASA-N 0 0 334.441 1.913 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)/C=C/c3ccncn3)CC2)n1 ZINC000183931953 442976074 /nfs/dbraw/zinc/97/60/74/442976074.db2.gz FPIFHZKCEYWFOY-IHVVCDCBSA-N 0 0 342.403 1.341 10 0 EDAERN C[C@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)N1CCOCC1 ZINC000195060567 442981122 /nfs/dbraw/zinc/98/11/22/442981122.db2.gz RVWFIYGRJNHJNP-CQSZACIVSA-N 0 0 345.447 1.515 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000184022235 442983823 /nfs/dbraw/zinc/98/38/23/442983823.db2.gz OXDLPJIBNYKXQT-CYBMUJFWSA-N 0 0 341.481 1.283 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc21 ZINC000249614298 442995984 /nfs/dbraw/zinc/99/59/84/442995984.db2.gz PEMFGRPDTUYLCS-ZBFHGGJFSA-N 0 0 336.457 1.647 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000189867423 443021611 /nfs/dbraw/zinc/02/16/11/443021611.db2.gz NHVCJFCSNKHDRO-DGCLKSJQSA-N 0 0 346.305 1.548 10 0 EDAERN CCn1c(-c2ccc3c(c2)CCO3)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512196 443025807 /nfs/dbraw/zinc/02/58/07/443025807.db2.gz MDPGKOVRRQOVHU-UHFFFAOYSA-N 0 0 326.356 1.528 10 0 EDAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000198309059 443038182 /nfs/dbraw/zinc/03/81/82/443038182.db2.gz FWHHOHJJXPFLOW-GFCCVEGCSA-N 0 0 328.434 1.827 10 0 EDAERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)NCC(=O)NCC1CC1 ZINC000184574776 443042044 /nfs/dbraw/zinc/04/20/44/443042044.db2.gz WPWZATVATZGGRH-MRXNPFEDSA-N 0 0 344.459 1.823 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000190346278 443088671 /nfs/dbraw/zinc/08/86/71/443088671.db2.gz QLOSGPPQBVJBAJ-FZMZJTMJSA-N 0 0 326.418 1.691 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000184718648 443065961 /nfs/dbraw/zinc/06/59/61/443065961.db2.gz GHWRJBIJSFVNML-CQSZACIVSA-N 0 0 349.431 1.939 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000190168350 443066011 /nfs/dbraw/zinc/06/60/11/443066011.db2.gz YMDJFSJRJLZKIR-NVXWUHKLSA-N 0 0 345.443 1.409 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)s1 ZINC000190604664 443147418 /nfs/dbraw/zinc/14/74/18/443147418.db2.gz NJVKDVJFKFIZIF-GFCCVEGCSA-N 0 0 347.444 1.840 10 0 EDAERN Cc1noc([C@H]2COCCN2Cc2ccc(-n3ccnc3)nc2)n1 ZINC000185070172 443129687 /nfs/dbraw/zinc/12/96/87/443129687.db2.gz GRKPJTLDZTUFTB-CQSZACIVSA-N 0 0 326.360 1.532 10 0 EDAERN O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000185260413 443171649 /nfs/dbraw/zinc/17/16/49/443171649.db2.gz GMKIMBSCXMWUCN-HNNXBMFYSA-N 0 0 342.399 1.992 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(Br)cc2)C1 ZINC000185282467 443175898 /nfs/dbraw/zinc/17/58/98/443175898.db2.gz YRJGNBMBQRGLBW-UHFFFAOYSA-N 0 0 327.178 1.036 10 0 EDAERN COC(=O)c1cccc(-c2nc(CN3C[C@H](O)C[C@@H]3CO)cs2)c1 ZINC000185185701 443156656 /nfs/dbraw/zinc/15/66/56/443156656.db2.gz QPFNSXNPAOSGIJ-HUUCEWRRSA-N 0 0 348.424 1.524 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC2(CC(C)C)CCCC2)C1 ZINC000185626140 443229065 /nfs/dbraw/zinc/22/90/65/443229065.db2.gz BHRYPFMSRBUPTR-UHFFFAOYSA-N 0 0 325.453 1.749 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185766611 443253525 /nfs/dbraw/zinc/25/35/25/443253525.db2.gz SKXBLQQYFQBYFN-QMMMGPOBSA-N 0 0 333.335 1.824 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CN(C)CCO2)C1(CC)CC ZINC000246206074 443278590 /nfs/dbraw/zinc/27/85/90/443278590.db2.gz XQBNDDVBIMTUKF-ARFHVFGLSA-N 0 0 341.496 1.942 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000246220534 443280733 /nfs/dbraw/zinc/28/07/33/443280733.db2.gz ZMCGCLRTTSBXJG-YKQBOZHPSA-N 0 0 341.481 1.586 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)C(C)C ZINC000246245560 443282364 /nfs/dbraw/zinc/28/23/64/443282364.db2.gz UKPMADORNCERHD-MGPQQGTHSA-N 0 0 327.469 1.898 10 0 EDAERN CCc1c(C(=O)N2CC(NC(C)=O)C2)nnn1-c1cccc(Cl)c1 ZINC000191492412 443302554 /nfs/dbraw/zinc/30/25/54/443302554.db2.gz QNDPPXWNHCWGPK-UHFFFAOYSA-N 0 0 347.806 1.444 10 0 EDAERN Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)cn1 ZINC000328617473 444395800 /nfs/dbraw/zinc/39/58/00/444395800.db2.gz CVJNLOVOAYOQHZ-MRXNPFEDSA-N 0 0 340.445 1.600 10 0 EDAERN CCN1CCN(C(=O)CC[C@H]2CCCOC2)C[C@H]1c1nccn1C ZINC000328622797 444398189 /nfs/dbraw/zinc/39/81/89/444398189.db2.gz IQKWTTVJGGLNOS-CVEARBPZSA-N 0 0 334.464 1.832 10 0 EDAERN COC(=O)Cc1ccc(N)c(I)c1[N+](=O)[O-] ZINC000575639410 447878695 /nfs/dbraw/zinc/87/86/95/447878695.db2.gz IMWYWZWCVGLYRG-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CC(C)n1cc([C@@]2(O)CCCN(S(=O)(=O)CCC3CC3)C2)nn1 ZINC000583616313 448442690 /nfs/dbraw/zinc/44/26/90/448442690.db2.gz FYTMVKAYGOPQMT-OAHLLOKOSA-N 0 0 342.465 1.272 10 0 EDAERN Cc1cc(C(F)(F)F)nc(N2CCC[C@@](O)(c3cn[nH]n3)C2)n1 ZINC000583616682 448443658 /nfs/dbraw/zinc/44/36/58/448443658.db2.gz BFWWTSNQZLBTMM-LBPRGKRZSA-N 0 0 328.298 1.410 10 0 EDAERN CCc1nnc(C)cc1C(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583618299 448446475 /nfs/dbraw/zinc/44/64/75/448446475.db2.gz LFEVHMMOORPUHZ-QGZVFWFLSA-N 0 0 344.419 1.254 10 0 EDAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000583618825 448449067 /nfs/dbraw/zinc/44/90/67/448449067.db2.gz PQTQILVASSXRCU-UONOGXRCSA-N 0 0 334.351 1.282 10 0 EDAERN CC[NH+]1CCN([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000536960255 448548831 /nfs/dbraw/zinc/54/88/31/448548831.db2.gz ULEPMJRNHPNDFF-UONOGXRCSA-N 0 0 341.452 1.334 10 0 EDAERN CCOC(=O)[C@@H](N)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000536960075 448549396 /nfs/dbraw/zinc/54/93/96/448549396.db2.gz NBBVISVPWRMMDW-NWDGAFQWSA-N 0 0 325.365 1.352 10 0 EDAERN O=C(Nc1ccc(I)cc1F)[C@@H]1CNC(=O)C1 ZINC000598065825 449226993 /nfs/dbraw/zinc/22/69/93/449226993.db2.gz GSUXMUNWPHFDET-LURJTMIESA-N 0 0 348.115 1.505 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1oc(CO)cc1C ZINC000618462732 450210509 /nfs/dbraw/zinc/21/05/09/450210509.db2.gz FMSCOTPHYDQTNN-SWLSCSKDSA-N 0 0 333.388 1.804 10 0 EDAERN CN1C[C@H](CNC(=O)c2c(F)cc(Br)cc2F)CC1=O ZINC000619003936 450373633 /nfs/dbraw/zinc/37/36/33/450373633.db2.gz OZEYSBUKBQPDIV-ZETCQYMHSA-N 0 0 347.159 1.935 10 0 EDAERN Nc1ccc([C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)cn1 ZINC000616592687 450454754 /nfs/dbraw/zinc/45/47/54/450454754.db2.gz FTDHWDHZQKLHMW-CQSZACIVSA-N 0 0 333.413 1.469 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@@H]1c1cccc2nnccc21 ZINC000616683964 450459978 /nfs/dbraw/zinc/45/99/78/450459978.db2.gz WAHOVNPFLZSBIS-MRXNPFEDSA-N 0 0 341.396 1.807 10 0 EDAERN CS(=O)(=O)N1CCc2ccccc2[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616692437 450461165 /nfs/dbraw/zinc/46/11/65/450461165.db2.gz RLZXYTRSLQALPS-INIZCTEOSA-N 0 0 330.409 1.693 10 0 EDAERN CO[C@@H]1CN(CC(=O)N(C2CC2)C2CCCC2)C[C@H]1c1c[nH]nn1 ZINC000621319909 450680739 /nfs/dbraw/zinc/68/07/39/450680739.db2.gz TZLQUDSXCDBMTR-GOEBONIOSA-N 0 0 333.436 1.153 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccncc1Br ZINC000633923945 451103612 /nfs/dbraw/zinc/10/36/12/451103612.db2.gz RJSXWBHNFFJPND-JTQLQIEISA-N 0 0 328.210 1.247 10 0 EDAERN [NH3+]C1(CC(=O)N2CCC[C@H]2C(=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000630572030 451253213 /nfs/dbraw/zinc/25/32/13/451253213.db2.gz XIYLUDKWHFORAT-INIZCTEOSA-N 0 0 345.443 1.446 10 0 EDAERN CCN1CCO[C@@H](CNc2ncnc3[nH]ccc32)[C@@H]1c1cnn(C)c1 ZINC000664311996 452986630 /nfs/dbraw/zinc/98/66/30/452986630.db2.gz DLFJFRAFZKPUML-GJZGRUSLSA-N 0 0 341.419 1.565 10 0 EDAERN C[C@@H]1CN(Cc2ccccc2)C[C@H](c2nc(Cn3cncn3)no2)O1 ZINC000664832553 453434552 /nfs/dbraw/zinc/43/45/52/453434552.db2.gz MCKSDXCZNVNXKP-UKRRQHHQSA-N 0 0 340.387 1.671 10 0 EDAERN Cc1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000220596561 486749076 /nfs/dbraw/zinc/74/90/76/486749076.db2.gz HSCRBTMCXXPYNC-SNVBAGLBSA-N 0 0 334.401 1.109 10 0 EDAERN CCOc1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)cc1 ZINC000074775093 486798607 /nfs/dbraw/zinc/79/86/07/486798607.db2.gz MPZAZRWIVWMGKH-CQSZACIVSA-N 0 0 328.434 1.036 10 0 EDAERN O=C(O[C@H]1COCCO1)c1ccc(I)cc1 ZINC000205033407 485727594 /nfs/dbraw/zinc/72/75/94/485727594.db2.gz ZTKLTUQGGKNYDZ-JTQLQIEISA-N 0 0 334.109 1.821 10 0 EDAERN COC(=O)C(C)(C)n1cc(I)c2cncnc21 ZINC000205583802 485731444 /nfs/dbraw/zinc/73/14/44/485731444.db2.gz PLLDNDLSFFMNIF-UHFFFAOYSA-N 0 0 345.140 1.944 10 0 EDAERN O[C@]1(Cn2ccnn2)CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000671553401 486649559 /nfs/dbraw/zinc/64/95/59/486649559.db2.gz QKDNLNARJNMDIK-QGZVFWFLSA-N 0 0 342.378 1.240 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc43)CCO2)[nH]1 ZINC000137221666 491233115 /nfs/dbraw/zinc/23/31/15/491233115.db2.gz QDAAORLLLKUULB-ZFWWWQNUSA-N 0 0 341.415 1.790 10 0 EDAERN C[C@@H](C(=O)N(C)CCc1nccs1)N1C(=O)c2ccccc2C1=O ZINC000122022673 490999985 /nfs/dbraw/zinc/99/99/85/490999985.db2.gz CKMCQRAUVIYSKF-NSHDSACASA-N 0 0 343.408 1.829 10 0 EDAERN COc1cc(-c2noc(CCOc3ccc(C(N)=O)cc3)n2)ccn1 ZINC000176458817 500629505 /nfs/dbraw/zinc/62/95/05/500629505.db2.gz QVZJFLPELKLSFI-UHFFFAOYSA-N 0 0 340.339 1.861 10 0 EDAERN C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1 ZINC000167590728 533847234 /nfs/dbraw/zinc/84/72/34/533847234.db2.gz QVQAONTYCUODKJ-SFYZADRCSA-N 0 0 339.244 1.967 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@@H]1N1CCOCC1 ZINC000173822426 533870814 /nfs/dbraw/zinc/87/08/14/533870814.db2.gz VBCFIWFRWGCQND-JSGCOSHPSA-N 0 0 331.372 1.727 10 0 EDAERN CS[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178649696 533915195 /nfs/dbraw/zinc/91/51/95/533915195.db2.gz WTKBFJRSVBVISC-NWDGAFQWSA-N 0 0 339.465 1.275 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(Cl)cc(CO)c1F)[C@H]1CCOC1 ZINC000167026051 533964346 /nfs/dbraw/zinc/96/43/46/533964346.db2.gz AENHXHITSBRHDE-IUCAKERBSA-N 0 0 337.800 1.675 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(N)ccc1Br)[C@@H]1CCOC1 ZINC000165909141 533964857 /nfs/dbraw/zinc/96/48/57/533964857.db2.gz BPEDNZVUUOGFNH-DTWKUNHWSA-N 0 0 349.250 1.735 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)CCn2cccn2)c2cccs2)CCO1 ZINC000177978305 533976442 /nfs/dbraw/zinc/97/64/42/533976442.db2.gz PYAWUFXKXYIXRQ-GJZGRUSLSA-N 0 0 348.472 1.913 10 0 EDAERN C[C@@H](CNC(=O)c1cc(N)c(F)cc1Br)[S@](C)=O ZINC000165008334 534033402 /nfs/dbraw/zinc/03/34/02/534033402.db2.gz IDFXSOOCESSVPQ-AHGSNSTDSA-N 0 0 337.214 1.667 10 0 EDAERN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000171702608 534146538 /nfs/dbraw/zinc/14/65/38/534146538.db2.gz ZDJLLCKJNIJHOV-HIFRSBDPSA-N 0 0 329.404 1.951 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000129464829 534180797 /nfs/dbraw/zinc/18/07/97/534180797.db2.gz YTVPVCVKYLLRAT-LLVKDONJSA-N 0 0 329.784 1.748 10 0 EDAERN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C[C@@H](O)C(C)C)cc1 ZINC000129195238 534202091 /nfs/dbraw/zinc/20/20/91/534202091.db2.gz NHICWYLRZFZHMU-UKRRQHHQSA-N 0 0 327.446 1.680 10 0 EDAERN COC(=O)[C@@H](CC(C)C)NC(=O)[C@]1(C)CC(=O)N=C2C=CC=CN21 ZINC000170575212 534242808 /nfs/dbraw/zinc/24/28/08/534242808.db2.gz YGEBVAGMOMCTJE-PXAZEXFGSA-N 0 0 333.388 1.163 10 0 EDAERN COC(=O)c1coc(C(=O)N2CCN(Cc3cnc(C)s3)CC2)c1 ZINC000183595326 534313431 /nfs/dbraw/zinc/31/34/31/534313431.db2.gz ITGCSECOVCTDCX-UHFFFAOYSA-N 0 0 349.412 1.789 10 0 EDAERN O=C(Nc1cccc2cnccc21)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130721254 534375260 /nfs/dbraw/zinc/37/52/60/534375260.db2.gz OEGFKDCPCYWJGX-HIFRSBDPSA-N 0 0 327.384 1.841 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)Nc3ccc(C(N)=O)nc3)C2)no1 ZINC000164209100 534406523 /nfs/dbraw/zinc/40/65/23/534406523.db2.gz KSPLSHFTUHCQAC-NSHDSACASA-N 0 0 344.375 1.359 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ncncc3Cl)CC2)n1 ZINC000176418589 534437634 /nfs/dbraw/zinc/43/76/34/534437634.db2.gz YIQNIBSVNBQFJF-SECBINFHSA-N 0 0 336.783 1.340 10 0 EDAERN NC(=S)c1cc(N[C@@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F ZINC000164136796 534530381 /nfs/dbraw/zinc/53/03/81/534530381.db2.gz ZFDXYQOMQJTCJG-MRVPVSSYSA-N 0 0 338.376 1.939 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)N2CCc3ccccc32)C1 ZINC000079509354 534658343 /nfs/dbraw/zinc/65/83/43/534658343.db2.gz AUZQZGUBFUGDPE-PBHICJAKSA-N 0 0 344.459 1.748 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(N)nc(Cl)c3)CCO2)c1 ZINC000171827430 534748010 /nfs/dbraw/zinc/74/80/10/534748010.db2.gz ULLCOKRATLVDFB-LBPRGKRZSA-N 0 0 335.795 1.363 10 0 EDAERN O=c1[n-]cnc(N2CCC[C@H](C[NH2+]C3CC3)C2)c1Br ZINC000165373031 534889979 /nfs/dbraw/zinc/88/99/79/534889979.db2.gz UZXOJQJAFAOLHH-SECBINFHSA-N 0 0 327.226 1.501 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cnns3)C[C@H]21 ZINC000248555198 534895906 /nfs/dbraw/zinc/89/59/06/534895906.db2.gz BCXBUCNPQAUIBS-HBNTYKKESA-N 0 0 338.433 1.913 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1F ZINC000173961277 526913456 /nfs/dbraw/zinc/91/34/56/526913456.db2.gz APMKPKIJEJAUBH-YVEFUNNKSA-N 0 0 349.406 1.577 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173966744 526999264 /nfs/dbraw/zinc/99/92/64/526999264.db2.gz AMOCJBRXKXYEJY-SJKOYZFVSA-N 0 0 349.406 1.577 10 0 EDAERN C/C(=C\C(=O)N1CCOC[C@@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000180211252 527514216 /nfs/dbraw/zinc/51/42/16/527514216.db2.gz BVIFCPABKHXGRB-UTSBKAFOSA-N 0 0 342.317 1.821 10 0 EDAERN C/C(=C\C(=O)NC[C@@H](O)CN1CCOCC1)c1cccc(Cl)c1 ZINC000179477480 527517148 /nfs/dbraw/zinc/51/71/48/527517148.db2.gz NLHHCJQIGGTHHY-LRFDDAOPSA-N 0 0 338.835 1.553 10 0 EDAERN CC(C)[C@H](O)CC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000162713559 527719535 /nfs/dbraw/zinc/71/95/35/527719535.db2.gz KJNJRAWFNJCLAP-GXTWGEPZSA-N 0 0 349.349 1.968 10 0 EDAERN CCN1CCO[C@H](c2nsc(I)n2)C1 ZINC000166108062 527741294 /nfs/dbraw/zinc/74/12/94/527741294.db2.gz HJFBVQPEYVRITN-LURJTMIESA-N 0 0 325.175 1.536 10 0 EDAERN CC(C)c1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)nn1C ZINC000174246095 528036812 /nfs/dbraw/zinc/03/68/12/528036812.db2.gz CSWIJWKEPBCZCA-CYBMUJFWSA-N 0 0 328.420 1.732 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCOC1CCCC1 ZINC000174138071 528062084 /nfs/dbraw/zinc/06/20/84/528062084.db2.gz JPTJCYSQJXUEQI-OAHLLOKOSA-N 0 0 325.453 1.988 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000132184476 528146572 /nfs/dbraw/zinc/14/65/72/528146572.db2.gz BCEMOHVRQJRNQD-HNNXBMFYSA-N 0 0 348.451 1.109 10 0 EDAERN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130708451 528248662 /nfs/dbraw/zinc/24/86/62/528248662.db2.gz FEIRVPPMKFZSHI-UONOGXRCSA-N 0 0 334.416 2.000 10 0 EDAERN CCOC(=O)c1nnc(Sc2ccccc2S(C)(=O)=O)o1 ZINC000169216048 528381617 /nfs/dbraw/zinc/38/16/17/528381617.db2.gz VAGWRUPHGLCFLW-UHFFFAOYSA-N 0 0 328.371 1.801 10 0 EDAERN CCNc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2CCOC2)cc1Cl ZINC000166822038 528448994 /nfs/dbraw/zinc/44/89/94/528448994.db2.gz KERWLVWRAUWNMS-NXEZZACHSA-N 0 0 333.841 1.870 10 0 EDAERN CCOC(=O)C1(C(=O)N2CCCN(c3ccc(C)nn3)CC2)CC1 ZINC000174648753 528574567 /nfs/dbraw/zinc/57/45/67/528574567.db2.gz ARIOYDNILNWLPK-UHFFFAOYSA-N 0 0 332.404 1.167 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000162713918 528615184 /nfs/dbraw/zinc/61/51/84/528615184.db2.gz KJNJRAWFNJCLAP-OCCSQVGLSA-N 0 0 349.349 1.968 10 0 EDAERN CC(C)NC(=O)CCS(=O)(=O)c1ccc(Br)cc1N ZINC000165758255 529125770 /nfs/dbraw/zinc/12/57/70/529125770.db2.gz YYEFJLCOPPWQRH-UHFFFAOYSA-N 0 0 349.250 1.720 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000181938073 529226514 /nfs/dbraw/zinc/22/65/14/529226514.db2.gz YOPWZXUZZRBVIZ-MSOLQXFVSA-N 0 0 348.491 1.919 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000179818747 529226527 /nfs/dbraw/zinc/22/65/27/529226527.db2.gz FYTNXJFMFHEYDZ-HZPDHXFCSA-N 0 0 340.851 1.679 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](COC)c2ccco2)CC1 ZINC000181887353 529227369 /nfs/dbraw/zinc/22/73/69/529227369.db2.gz FOYDQJLTJMCWGB-ZIAGYGMSSA-N 0 0 325.409 1.065 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000181822748 529227524 /nfs/dbraw/zinc/22/75/24/529227524.db2.gz ILVRDJIJVXVAQQ-MSOLQXFVSA-N 0 0 349.475 1.598 10 0 EDAERN CC(C)c1nnc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)n1C ZINC000195520557 534972812 /nfs/dbraw/zinc/97/28/12/534972812.db2.gz DOYFWOQOPHHARS-CYBMUJFWSA-N 0 0 329.452 1.856 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)Nc1ccccc1)CC2 ZINC000195288810 535026718 /nfs/dbraw/zinc/02/67/18/535026718.db2.gz QUNSYOVJGJGDGR-CYBMUJFWSA-N 0 0 327.388 1.471 10 0 EDAERN CC(C)[C@H]1N(C(=O)NCCN2CCOCC2(C)C)C[C@@]12CCCO2 ZINC000333790722 535273114 /nfs/dbraw/zinc/27/31/14/535273114.db2.gz XNKKMZITUAFISS-QAPCUYQASA-N 0 0 339.480 1.696 10 0 EDAERN CCCn1nc(C)c(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1C ZINC000132815131 535621952 /nfs/dbraw/zinc/62/19/52/535621952.db2.gz IPXKAVXBOZFDPT-CYBMUJFWSA-N 0 0 332.408 1.550 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000183980762 535699743 /nfs/dbraw/zinc/69/97/43/535699743.db2.gz WAEOPYRDAGUPJV-LLVKDONJSA-N 0 0 327.454 1.242 10 0 EDAERN CNC(=O)NC(=O)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246946433 536323384 /nfs/dbraw/zinc/32/33/84/536323384.db2.gz ZNRDABHMCCAQBQ-NEPJUHHUSA-N 0 0 345.321 1.269 10 0 EDAERN CN1CCc2ccc(S(=O)(=O)N3CCC[C@H](c4nnc[nH]4)C3)cc21 ZINC000333311319 536482802 /nfs/dbraw/zinc/48/28/02/536482802.db2.gz JJAIJRPQGSARLK-ZDUSSCGKSA-N 0 0 347.444 1.365 10 0 EDAERN COC[C@@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1ccc(C)o1 ZINC000175273392 536698329 /nfs/dbraw/zinc/69/83/29/536698329.db2.gz AYRDFOBDFUVZDU-TZMCWYRMSA-N 0 0 325.409 1.295 10 0 EDAERN COc1ccccc1C/C(C)=C/C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112661888 537006831 /nfs/dbraw/zinc/00/68/31/537006831.db2.gz VBMTVHJWZBLKGK-VOMSXAGXSA-N 0 0 326.400 1.907 10 0 EDAERN CN(C[C@@H]1CCCO1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000048949999 537708584 /nfs/dbraw/zinc/70/85/84/537708584.db2.gz LRIKBLAOEBHHEM-QMMMGPOBSA-N 0 0 335.838 1.849 10 0 EDAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)Nc1cnc2ccnn2c1 ZINC000888922106 590747914 /nfs/dbraw/zinc/74/79/14/590747914.db2.gz QWUJMPKBKBEBLV-GFCCVEGCSA-N 0 0 325.376 1.652 10 0 EDAERN Cn1cnnc1C[C@]1(O)CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000888076775 590932988 /nfs/dbraw/zinc/93/29/88/590932988.db2.gz BIEIHKTUQMQMAE-QGZVFWFLSA-N 0 0 343.387 1.633 10 0 EDAERN Cn1cc([C@@H]2[C@@H](CNC(=O)c3cc(F)c[nH]3)CCC(=O)N2C)cn1 ZINC000888078892 590935393 /nfs/dbraw/zinc/93/53/93/590935393.db2.gz GWHTWGNGDMGPGM-BMIGLBTASA-N 0 0 333.367 1.227 10 0 EDAERN Cc1nc(C2CC2)oc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093560 591023982 /nfs/dbraw/zinc/02/39/82/591023982.db2.gz GOITYFYUEVLVRP-QWHCGFSZSA-N 0 0 332.360 1.170 10 0 EDAERN Cc1noc(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888095591 591026928 /nfs/dbraw/zinc/02/69/28/591026928.db2.gz SHKUJNYIDPPLJS-ZQIUZPCESA-N 0 0 335.404 1.166 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2cncc(-n3cccn3)n2)C1 ZINC000888102612 591031443 /nfs/dbraw/zinc/03/14/43/591031443.db2.gz BXONNJPFVRAKEB-KGLIPLIRSA-N 0 0 339.403 1.969 10 0 EDAERN Cc1nn2cccnc2c1C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899076247 591673984 /nfs/dbraw/zinc/67/39/84/591673984.db2.gz MVYOQYNNHRATNL-CYBMUJFWSA-N 0 0 337.387 1.594 10 0 EDAERN O=C(c1cc(Cl)cc(Cl)c1[O-])N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000824216100 593958340 /nfs/dbraw/zinc/95/83/40/593958340.db2.gz YZFRFFFSYQBURB-GHMZBOCLSA-N 0 0 343.170 1.349 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000101539043 595166402 /nfs/dbraw/zinc/16/64/02/595166402.db2.gz ZWUSPWACVAFVTM-CYBMUJFWSA-N 0 0 329.400 1.621 10 0 EDAERN Cc1nn(C2CCOCC2)c(C)c1C(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000854384570 596057105 /nfs/dbraw/zinc/05/71/05/596057105.db2.gz XUWTUYREAXVCJC-CQSZACIVSA-N 0 0 348.447 1.638 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)N=c2nc(C)[nH]n2CC)C1 ZINC000888535360 596352062 /nfs/dbraw/zinc/35/20/62/596352062.db2.gz HCHPDSOOAZUERG-GFCCVEGCSA-N 0 0 332.412 1.051 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3cc(F)ccc3[nH]2)cn1 ZINC000862925823 596452888 /nfs/dbraw/zinc/45/28/88/596452888.db2.gz RSQCBWHPYXTFGF-JKSUJKDBSA-N 0 0 344.346 1.617 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)C[C@H]2C(=O)Nc3ccccc32)n1 ZINC000121020667 596862108 /nfs/dbraw/zinc/86/21/08/596862108.db2.gz IVMIPFCTHADGCU-TZMCWYRMSA-N 0 0 342.355 1.404 10 0 EDAERN O=C(Nc1ncccn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000888681621 597000348 /nfs/dbraw/zinc/00/03/48/597000348.db2.gz BYBOQAQZKBUNNE-HNNXBMFYSA-N 0 0 327.388 1.360 10 0 EDAERN O=C([O-])[C@H]1CC12CC[NH+](CCN1C(=O)c3ccccc3C1=O)CC2 ZINC000405315585 600289305 /nfs/dbraw/zinc/28/93/05/600289305.db2.gz JDLDMTDRXABHTO-CQSZACIVSA-N 0 0 328.368 1.469 10 0 EDAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000175228261 697701550 /nfs/dbraw/zinc/70/15/50/697701550.db2.gz OBWUEAIERUPYHF-HQPKTYMTSA-N 0 0 326.393 1.727 10 0 EDAERN C[C@@H](NCC(=O)OCc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000181562817 699777306 /nfs/dbraw/zinc/77/73/06/699777306.db2.gz KLZJWHZZUGJWDD-CYBMUJFWSA-N 0 0 348.424 1.728 10 0 EDAERN O=C(NCCCn1ccnn1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000182467154 700818277 /nfs/dbraw/zinc/81/82/77/700818277.db2.gz VJQDXNJBJNJBCK-IRXDYDNUSA-N 0 0 343.431 1.966 10 0 EDAERN CCn1cc(S(=O)(=O)[N-]c2nc3c(s2)C[NH2+]CC3)nc1C ZINC000050265997 214051593 /nfs/dbraw/zinc/05/15/93/214051593.db2.gz OEAKGXYVJIWGMD-UHFFFAOYSA-N 0 0 327.435 1.114 10 0 EDAERN Cc1nc(S(=O)(=O)N(C)Cc2cc(N)ccc2Cl)cn1C ZINC000050252789 214051948 /nfs/dbraw/zinc/05/19/48/214051948.db2.gz KHYRUDLOLKTWNI-UHFFFAOYSA-N 0 0 328.825 1.785 10 0 EDAERN Cc1nn(CC(=O)N(C)CCC(N)=S)c(C)c1Br ZINC000050593302 214060455 /nfs/dbraw/zinc/06/04/55/214060455.db2.gz KIWWNYAMODHAFR-UHFFFAOYSA-N 0 0 333.255 1.397 10 0 EDAERN Nc1ncccc1S(=O)(=O)NCc1cccc(Br)c1 ZINC000050692175 214066623 /nfs/dbraw/zinc/06/66/23/214066623.db2.gz YWFRAMYGZNFAOR-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N1CCCC[C@@H]1CO ZINC000050788161 214071083 /nfs/dbraw/zinc/07/10/83/214071083.db2.gz XEKLFEAZHPUKOH-SNVBAGLBSA-N 0 0 328.210 1.873 10 0 EDAERN Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c(Br)c1 ZINC000051993755 214111137 /nfs/dbraw/zinc/11/11/37/214111137.db2.gz GWXQRYGJFLKSBQ-GHMZBOCLSA-N 0 0 349.250 1.613 10 0 EDAERN CCC(CC)(CO)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000053071803 214162081 /nfs/dbraw/zinc/16/20/81/214162081.db2.gz UGSDZYRKTGHPLS-UHFFFAOYSA-N 0 0 331.825 1.817 10 0 EDAERN O=C(Cn1cc(Br)ccc1=O)NC1(CO)CCCCC1 ZINC000053074424 214162100 /nfs/dbraw/zinc/16/21/00/214162100.db2.gz AHUXNCYALOBXDW-UHFFFAOYSA-N 0 0 343.221 1.422 10 0 EDAERN CN(C)C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 ZINC000053213381 214170369 /nfs/dbraw/zinc/17/03/69/214170369.db2.gz HGPZPQVBMQBZIO-INIZCTEOSA-N 0 0 347.440 1.367 10 0 EDAERN CC[C@H](CC(N)=S)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000054162804 214220149 /nfs/dbraw/zinc/22/01/49/214220149.db2.gz KMKXPQWIKAOERO-SECBINFHSA-N 0 0 330.431 1.191 10 0 EDAERN CS(=O)(=O)Nc1cc(NC(=O)c2csc(N)n2)ccc1F ZINC000055186724 214285471 /nfs/dbraw/zinc/28/54/71/214285471.db2.gz CZRVGIDJBIUKBK-UHFFFAOYSA-N 0 0 330.366 1.488 10 0 EDAERN O=C(Nc1ccc(F)cc1F)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173695383 231008543 /nfs/dbraw/zinc/00/85/43/231008543.db2.gz DIMASXIKPXUWFR-NSHDSACASA-N 0 0 335.314 1.359 10 0 EDAERN CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1Cl ZINC000173847427 231050297 /nfs/dbraw/zinc/05/02/97/231050297.db2.gz LVENXPDYXGRXLW-DGCLKSJQSA-N 0 0 340.855 1.658 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174007513 231097392 /nfs/dbraw/zinc/09/73/92/231097392.db2.gz YOFRSJAGSIUKGM-INIZCTEOSA-N 0 0 331.416 1.175 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1C ZINC000174010362 231097853 /nfs/dbraw/zinc/09/78/53/231097853.db2.gz GBPNWBBGJNYMGX-HNNXBMFYSA-N 0 0 331.416 1.175 10 0 EDAERN COC[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 ZINC000056922230 214395403 /nfs/dbraw/zinc/39/54/03/214395403.db2.gz KFCNDQJSQFEEER-CQSZACIVSA-N 0 0 325.430 1.735 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C4CC4)on3)C2=O)n(C)n1 ZINC000174983124 231359415 /nfs/dbraw/zinc/35/94/15/231359415.db2.gz JPQGKUIKPJMAPG-LBPRGKRZSA-N 0 0 343.387 1.519 10 0 EDAERN O=C(Nc1ccc(-n2nccn2)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000175111596 231386366 /nfs/dbraw/zinc/38/63/66/231386366.db2.gz LAHZCUUFIYUSFU-HNNXBMFYSA-N 0 0 338.375 1.728 10 0 EDAERN CCc1ccccc1NC(=O)[C@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000173928735 529599472 /nfs/dbraw/zinc/59/94/72/529599472.db2.gz SDQWKVXDDDQJBB-RDJZCZTQSA-N 0 0 331.460 1.983 10 0 EDAERN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2Oc3ccccc3NC2=O)c1 ZINC000049739126 214030579 /nfs/dbraw/zinc/03/05/79/214030579.db2.gz SJDIXWJFQABRCS-HNNXBMFYSA-N 0 0 346.408 1.981 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000193492045 282215667 /nfs/dbraw/zinc/21/56/67/282215667.db2.gz JYUJZGDQVNVAQG-CYBMUJFWSA-N 0 0 331.351 1.355 10 0 EDAERN O=C(Nc1ccn(Cc2ccncc2)n1)N[C@H]1CCCn2ncnc21 ZINC000176010098 231554700 /nfs/dbraw/zinc/55/47/00/231554700.db2.gz XQPUEKIFQLXWRY-ZDUSSCGKSA-N 0 0 338.375 1.575 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccnn3C(C)C)CCO2)[nH]1 ZINC000178013587 529701818 /nfs/dbraw/zinc/70/18/18/529701818.db2.gz UZBSFSMHOUFHGH-LLVKDONJSA-N 0 0 333.396 1.750 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3cccc(O)c3)CCO2)[nH]1 ZINC000177979230 529700763 /nfs/dbraw/zinc/70/07/63/529700763.db2.gz MAUATMXHVZRZHZ-CYBMUJFWSA-N 0 0 331.376 1.356 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc2cccnc21 ZINC000176743333 231722719 /nfs/dbraw/zinc/72/27/19/231722719.db2.gz VVUPBUPEFFNCJA-GFCCVEGCSA-N 0 0 329.385 1.640 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccccc1O ZINC000153545404 529750482 /nfs/dbraw/zinc/75/04/82/529750482.db2.gz HDDABUXSMLMCGD-CYBMUJFWSA-N 0 0 329.404 1.923 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](Cc1cccnc1)c1ccccc1 ZINC000062088880 214697141 /nfs/dbraw/zinc/69/71/41/214697141.db2.gz ZZALEJDRIZPZBL-IRXDYDNUSA-N 0 0 344.436 1.711 10 0 EDAERN CCc1nn(C)c(CN2CCN3C(=O)CC[C@@H]3C2)c1Br ZINC000168741037 529766806 /nfs/dbraw/zinc/76/68/06/529766806.db2.gz MZHGPRNOGGAKGA-SNVBAGLBSA-N 0 0 341.253 1.552 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000179721268 529767886 /nfs/dbraw/zinc/76/78/86/529767886.db2.gz OYBLWMNJWCAHBS-CYBMUJFWSA-N 0 0 346.435 1.562 10 0 EDAERN O=S(=O)(NC1CCCC1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000062269613 214707382 /nfs/dbraw/zinc/70/73/82/214707382.db2.gz VQXWSGNPUWPIEV-CYBMUJFWSA-N 0 0 338.429 1.982 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N(C)Cc1nccn1C ZINC000062330747 214710675 /nfs/dbraw/zinc/71/06/75/214710675.db2.gz BPNDEJBVMGJOKD-UHFFFAOYSA-N 0 0 338.209 1.892 10 0 EDAERN CN(C)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1Cl ZINC000153887155 529784550 /nfs/dbraw/zinc/78/45/50/529784550.db2.gz HUXCKRHRDUCFRR-LBPRGKRZSA-N 0 0 326.828 1.858 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000166882867 529901681 /nfs/dbraw/zinc/90/16/81/529901681.db2.gz PHPLFFVRNCJASK-AWEZNQCLSA-N 0 0 331.416 1.660 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000170896557 529946959 /nfs/dbraw/zinc/94/69/59/529946959.db2.gz VDZFSAPGGMYOHD-MRXNPFEDSA-N 0 0 341.415 1.826 10 0 EDAERN COCCn1ccc(NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)n1 ZINC000101531093 219132480 /nfs/dbraw/zinc/13/24/80/219132480.db2.gz NXJPPVUUYMTTIU-GFCCVEGCSA-N 0 0 331.376 1.678 10 0 EDAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000177651562 231948487 /nfs/dbraw/zinc/94/84/87/231948487.db2.gz TZAYYDAQBGQKGJ-CYBMUJFWSA-N 0 0 346.362 1.197 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000177709658 231963739 /nfs/dbraw/zinc/96/37/39/231963739.db2.gz WCUDTSZTKONTEW-AWEZNQCLSA-N 0 0 342.403 1.945 10 0 EDAERN CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171796882 530017899 /nfs/dbraw/zinc/01/78/99/530017899.db2.gz QUXDTCKGSWMLHU-SJLPKXTDSA-N 0 0 340.427 1.988 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178002604 232055304 /nfs/dbraw/zinc/05/53/04/232055304.db2.gz LDQFZEUTCDTMDV-KDOFPFPSSA-N 0 0 334.391 1.709 10 0 EDAERN CCOc1ccccc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc(N)cc1 ZINC000066142513 215016933 /nfs/dbraw/zinc/01/69/33/215016933.db2.gz PXHAHDOABNEUQW-RDJZCZTQSA-N 0 0 330.384 1.492 10 0 EDAERN NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CCCn1cccc1 ZINC000685942005 539581020 /nfs/dbraw/zinc/58/10/20/539581020.db2.gz LAMVKXWWOFMFLH-AWEZNQCLSA-N 0 0 329.404 1.844 10 0 EDAERN COC[C@@H](O)CN(C)C(=O)/C=C/c1ccc(Br)s1 ZINC000042501939 213509276 /nfs/dbraw/zinc/50/92/76/213509276.db2.gz HPNGATBPFCCLLT-DNQSNQRASA-N 0 0 334.235 1.990 10 0 EDAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000067840906 215227132 /nfs/dbraw/zinc/22/71/32/215227132.db2.gz QNDVWSQVRXIMGH-RKDXNWHRSA-N 0 0 349.250 1.564 10 0 EDAERN COC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000103359973 219293692 /nfs/dbraw/zinc/29/36/92/219293692.db2.gz YFQMRCLPNVGADV-GFCCVEGCSA-N 0 0 328.434 1.937 10 0 EDAERN CC(C)OC1CCC(NC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000151994015 539787830 /nfs/dbraw/zinc/78/78/30/539787830.db2.gz DXUQGPAHXOHJGD-CGZBRXJRSA-N 0 0 339.480 1.839 10 0 EDAERN O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041117377 213418217 /nfs/dbraw/zinc/41/82/17/213418217.db2.gz FLYSVYKCTLRBCW-SRVKXCTJSA-N 0 0 334.338 1.710 10 0 EDAERN COC(=O)CCCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000040806813 213390082 /nfs/dbraw/zinc/39/00/82/213390082.db2.gz KYAXASCKOBQDRK-UHFFFAOYSA-N 0 0 337.810 1.281 10 0 EDAERN O=C(NCCN1C(=O)CSC1=O)c1cnc(Cl)c(Cl)c1 ZINC000040690648 213369752 /nfs/dbraw/zinc/36/97/52/213369752.db2.gz OCDSMDVPUUEJEH-UHFFFAOYSA-N 0 0 334.184 1.814 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000104406100 219385476 /nfs/dbraw/zinc/38/54/76/219385476.db2.gz RPPRPUVHELDIJN-GZMMTYOYSA-N 0 0 336.335 1.508 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCOc2ccccc2C1 ZINC000040677917 213367904 /nfs/dbraw/zinc/36/79/04/213367904.db2.gz NFUZWVKWSMVHHX-UHFFFAOYSA-N 0 0 326.399 1.328 10 0 EDAERN CC(C)n1nnnc1Cn1nnc(-c2ccc(Br)cc2)n1 ZINC000195517101 535173291 /nfs/dbraw/zinc/17/32/91/535173291.db2.gz SMZGBMSZKWHFEN-UHFFFAOYSA-N 0 0 349.196 1.718 10 0 EDAERN O=S(=O)(c1cccc(F)c1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180967120 234047372 /nfs/dbraw/zinc/04/73/72/234047372.db2.gz WOKGZYHWHHITQM-NSHDSACASA-N 0 0 342.371 1.657 10 0 EDAERN O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180980332 234051398 /nfs/dbraw/zinc/05/13/98/234051398.db2.gz WUBIPRLFQJNDJF-ZDUSSCGKSA-N 0 0 348.428 1.314 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(=O)N1CCCCC1 ZINC000127464566 222844584 /nfs/dbraw/zinc/84/45/84/222844584.db2.gz UBUQIIFRILEBAS-LSDHHAIUSA-N 0 0 348.451 1.101 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181870358 234361312 /nfs/dbraw/zinc/36/13/12/234361312.db2.gz MZINNXQEYBKZIW-BBRMVZONSA-N 0 0 342.399 1.683 10 0 EDAERN NS(=O)(=O)c1ccccc1NC(=O)c1cc(Br)c[nH]1 ZINC000040378078 213293123 /nfs/dbraw/zinc/29/31/23/213293123.db2.gz ZHKMEABAYGAREZ-UHFFFAOYSA-N 0 0 344.190 1.677 10 0 EDAERN COCC(=O)NCCCc1nc2ccccc2n1CC(=O)OC(C)C ZINC000040204720 213281464 /nfs/dbraw/zinc/28/14/64/213281464.db2.gz JXTYXNFUZMAPSQ-UHFFFAOYSA-N 0 0 347.415 1.683 10 0 EDAERN CCN(CC)C(=O)Cn1c(CCNC(=O)COC)nc2ccccc21 ZINC000040198034 213280570 /nfs/dbraw/zinc/28/05/70/213280570.db2.gz SEHLHFJSICPEFP-UHFFFAOYSA-N 0 0 346.431 1.210 10 0 EDAERN COC(=O)Cn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21 ZINC000040184073 213280830 /nfs/dbraw/zinc/28/08/30/213280830.db2.gz OAAXJFXLVIJDIR-UHFFFAOYSA-N 0 0 338.367 1.877 10 0 EDAERN CC(=O)c1cccc(OCC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000127834308 222886993 /nfs/dbraw/zinc/88/69/93/222886993.db2.gz KKKODZMAIXIFBN-OAHLLOKOSA-N 0 0 342.399 1.798 10 0 EDAERN COc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000128191978 222923929 /nfs/dbraw/zinc/92/39/29/222923929.db2.gz HSGDSIPDPUYEBS-NSHDSACASA-N 0 0 346.362 1.522 10 0 EDAERN CCn1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cn1 ZINC000039508895 213237921 /nfs/dbraw/zinc/23/79/21/213237921.db2.gz TWFZBVKWBOCAIY-LJQANCHMSA-N 0 0 343.475 1.675 10 0 EDAERN CC[C@@H](C)OC(=O)c1sc2ncn(CC(=O)OC)c(=O)c2c1C ZINC000001281887 209722754 /nfs/dbraw/zinc/72/27/54/209722754.db2.gz KGSSPTDXMVEKOG-MRVPVSSYSA-N 0 0 338.385 1.895 10 0 EDAERN COc1ccc(C)c2sc(N3CCN(CCNC(C)=O)CC3)nc21 ZINC000038785669 213225697 /nfs/dbraw/zinc/22/56/97/213225697.db2.gz OBWPKQPSIYGBNT-UHFFFAOYSA-N 0 0 348.472 1.871 10 0 EDAERN Cc1ncc(CN2CCN(Cc3cn4cccnc4n3)CC2)s1 ZINC000105814108 219537800 /nfs/dbraw/zinc/53/78/00/219537800.db2.gz WTQNRLOVANFCNH-UHFFFAOYSA-N 0 0 328.445 1.812 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(C)nc(=O)[nH]1 ZINC000182686904 540133230 /nfs/dbraw/zinc/13/32/30/540133230.db2.gz SQMRWILRDJYTQF-XHDPSFHLSA-N 0 0 342.399 1.862 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000193342131 540182182 /nfs/dbraw/zinc/18/21/82/540182182.db2.gz BJNXYPDHABSDRY-MWLCHTKSSA-N 0 0 345.321 1.706 10 0 EDAERN Cn1nccc1C1CCN(C(=O)Nc2nc3ccccn3n2)CC1 ZINC000184340397 235371513 /nfs/dbraw/zinc/37/15/13/235371513.db2.gz QWNLTDROUXZCHM-UHFFFAOYSA-N 0 0 325.376 1.874 10 0 EDAERN COc1ccc([C@@H](C(=O)[O-])N2CC[NH2+]CC2)cc1Br ZINC000038052472 213198003 /nfs/dbraw/zinc/19/80/03/213198003.db2.gz HSJHOCHREGOTIO-LBPRGKRZSA-N 0 0 329.194 1.489 10 0 EDAERN COc1c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)nn1C ZINC000128766989 222985534 /nfs/dbraw/zinc/98/55/34/222985534.db2.gz QBPCDTIYUXOKHT-UHFFFAOYSA-N 0 0 346.406 1.834 10 0 EDAERN C[C@H](CNC(=O)NCCc1ccc(Cl)cc1)N1CCOCC1 ZINC000047636552 138122725 /nfs/dbraw/zinc/12/27/25/138122725.db2.gz UPVAYQYOBALRIG-CYBMUJFWSA-N 0 0 325.840 1.902 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCc1nnc2n1CCCC2)C(C)C ZINC000053904747 138141705 /nfs/dbraw/zinc/14/17/05/138141705.db2.gz ZCRPCJQKQTUDPV-MRXNPFEDSA-N 0 0 335.452 1.418 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccccn2)no1 ZINC000050608808 138132079 /nfs/dbraw/zinc/13/20/79/138132079.db2.gz VHIFERCNCQNYAR-ZDUSSCGKSA-N 0 0 344.371 1.618 10 0 EDAERN COCc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 ZINC000060706527 138163362 /nfs/dbraw/zinc/16/33/62/138163362.db2.gz ZJCJUSXUIUCARN-QGZVFWFLSA-N 0 0 341.411 1.729 10 0 EDAERN Cc1ccc(NC(=O)c2nnc(CN3C[C@H](O)C[C@@H]3CO)s2)cc1 ZINC000185140882 235595730 /nfs/dbraw/zinc/59/57/30/235595730.db2.gz XDFDEVIKCUSPHN-CHWSQXEVSA-N 0 0 348.428 1.026 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)NCCS(=O)(=O)NCC2CCC2)o1 ZINC000069072010 138197800 /nfs/dbraw/zinc/19/78/00/138197800.db2.gz TUPCTGVSLHFSBJ-GFCCVEGCSA-N 0 0 343.449 1.668 10 0 EDAERN CC(=O)N[C@H]1CCCN(CC(=O)NCCCOc2cccc(C)c2)C1 ZINC000080025473 138263336 /nfs/dbraw/zinc/26/33/36/138263336.db2.gz FPROUGYEFSVRCQ-KRWDZBQOSA-N 0 0 347.459 1.481 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnn(CCOC)c2)cc1 ZINC000080142829 138263760 /nfs/dbraw/zinc/26/37/60/138263760.db2.gz KEMNCVJEXCBTEZ-CYBMUJFWSA-N 0 0 344.415 1.908 10 0 EDAERN COC(=O)c1ccc(CCNC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000081475197 138266765 /nfs/dbraw/zinc/26/67/65/138266765.db2.gz FQGICECNLQRODG-HZPDHXFCSA-N 0 0 334.416 1.866 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000081796916 138267575 /nfs/dbraw/zinc/26/75/75/138267575.db2.gz CUXQTXXXPTVKIS-SNVBAGLBSA-N 0 0 344.346 1.772 10 0 EDAERN Cc1nc2cc(NC(=O)C(=O)N3CCN4CCCC[C@@H]4C3)ccc2o1 ZINC000091244790 138283554 /nfs/dbraw/zinc/28/35/54/138283554.db2.gz RPFMWWLINFPAOI-CQSZACIVSA-N 0 0 342.399 1.771 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn(C(C)C)c1C ZINC000092501224 138289170 /nfs/dbraw/zinc/28/91/70/138289170.db2.gz JAUCYCMSWYRDQT-CYBMUJFWSA-N 0 0 332.408 1.775 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC000105847969 138302255 /nfs/dbraw/zinc/30/22/55/138302255.db2.gz BRBHLLMYXSAVSC-CYBMUJFWSA-N 0 0 332.404 1.240 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CCO)Cc1ccccc1)CC2 ZINC000114975687 138310924 /nfs/dbraw/zinc/31/09/24/138310924.db2.gz IINJDWGFHTZGLR-HNNXBMFYSA-N 0 0 343.431 1.359 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)C2)cn1 ZINC000116121151 138311605 /nfs/dbraw/zinc/31/16/05/138311605.db2.gz XRNQIOGWVMGHFP-CQSZACIVSA-N 0 0 337.387 1.090 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCO[C@@H]1CCOC1 ZINC000123968042 138322664 /nfs/dbraw/zinc/32/26/64/138322664.db2.gz YJQPMRJOIDLCGH-OLZOCXBDSA-N 0 0 337.424 1.170 10 0 EDAERN CNC(=O)c1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)cc1 ZINC000037856307 213171879 /nfs/dbraw/zinc/17/18/79/213171879.db2.gz RRPJEBOQICAUDJ-UHFFFAOYSA-N 0 0 327.387 1.318 10 0 EDAERN COC(=O)c1[nH]c(C)c(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1C ZINC000131681844 138364391 /nfs/dbraw/zinc/36/43/91/138364391.db2.gz XSDZSSAZRSONIB-NSHDSACASA-N 0 0 345.403 1.837 10 0 EDAERN C[C@@H]1CN(C(=O)CSCc2cscn2)C[C@H]1N1CCOCC1 ZINC000132908260 138384882 /nfs/dbraw/zinc/38/48/82/138384882.db2.gz VDRQQQBBOLSOTJ-TZMCWYRMSA-N 0 0 341.502 1.555 10 0 EDAERN CS(=O)(=O)CC[C@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441139 213146795 /nfs/dbraw/zinc/14/67/95/213146795.db2.gz XNKNTMJXJRBVJP-QMMMGPOBSA-N 0 0 332.223 1.760 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(OC)nc1 ZINC000152174329 138468186 /nfs/dbraw/zinc/46/81/86/138468186.db2.gz DCUHVWLPGGPHCE-GFCCVEGCSA-N 0 0 330.392 1.578 10 0 EDAERN O=C(NC1CN(C(=O)NC[C@H]2CCOc3ccccc32)C1)C1CC1 ZINC000187059264 236105676 /nfs/dbraw/zinc/10/56/76/236105676.db2.gz WDEPWZRVOCQDGO-CYBMUJFWSA-N 0 0 329.400 1.473 10 0 EDAERN COCCN1[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1C ZINC000036214908 213077725 /nfs/dbraw/zinc/07/77/25/213077725.db2.gz CNDIKFMCRAADES-RYUDHWBXSA-N 0 0 347.868 1.465 10 0 EDAERN COc1cc2c(cc1OC)[C@](O)(CNC(=O)c1ccncc1)CC2 ZINC000036137366 213073071 /nfs/dbraw/zinc/07/30/71/213073071.db2.gz QYCCQUJFVSQDBD-GOSISDBHSA-N 0 0 328.368 1.663 10 0 EDAERN COc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 ZINC000036106669 213069279 /nfs/dbraw/zinc/06/92/79/213069279.db2.gz ZHCUZKDASLDGQZ-KRWDZBQOSA-N 0 0 348.443 1.627 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2C)no1 ZINC000036100899 213066505 /nfs/dbraw/zinc/06/65/05/213066505.db2.gz CMYLICQHFBYRLX-JTQLQIEISA-N 0 0 341.364 1.736 10 0 EDAERN COC(=O)c1sccc1NC(=O)[C@@H](CCSC)NC(N)=O ZINC000035163721 213011818 /nfs/dbraw/zinc/01/18/18/213011818.db2.gz ULYKPTLCXYHLDI-MRVPVSSYSA-N 0 0 331.419 1.263 10 0 EDAERN COc1cccc(CN2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1 ZINC000034916835 212999467 /nfs/dbraw/zinc/99/94/67/212999467.db2.gz VZESBXFWZOQWAV-GOEBONIOSA-N 0 0 332.400 1.339 10 0 EDAERN COC(=O)[C@@H](C)CN(CCCNC(C)=O)C(=O)Nc1ccccc1 ZINC000071623419 215789929 /nfs/dbraw/zinc/78/99/29/215789929.db2.gz UFPGHFDCPBQQIG-ZDUSSCGKSA-N 0 0 335.404 1.856 10 0 EDAERN Cc1nnc(NC(=O)Cn2cc(Br)cc(C)c2=O)s1 ZINC000071517260 215783855 /nfs/dbraw/zinc/78/38/55/215783855.db2.gz IWUBKULOJGHACJ-UHFFFAOYSA-N 0 0 343.206 1.718 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCC(=O)N1CCCCC1 ZINC000175666057 138698473 /nfs/dbraw/zinc/69/84/73/138698473.db2.gz OOKWDZZRCKEFLM-CYBMUJFWSA-N 0 0 334.424 1.123 10 0 EDAERN COc1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1OC ZINC000176830960 138713271 /nfs/dbraw/zinc/71/32/71/138713271.db2.gz KWFYIBJHAWCASC-GFCCVEGCSA-N 0 0 331.376 1.630 10 0 EDAERN C[C@H](NC(=O)NCCNC(=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000178708972 138744598 /nfs/dbraw/zinc/74/45/98/138744598.db2.gz MJKDRJTYJXFSCZ-NSHDSACASA-N 0 0 336.440 1.137 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)C(C)C ZINC000178708199 138744650 /nfs/dbraw/zinc/74/46/50/138744650.db2.gz SPTHSLWAJNJYBM-CYBMUJFWSA-N 0 0 327.222 1.878 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)c2cc(N3CCNC(=O)C3)ccn2)o1 ZINC000189659661 237114513 /nfs/dbraw/zinc/11/45/13/237114513.db2.gz KQSIMJJZJWURNW-LBPRGKRZSA-N 0 0 328.372 1.410 10 0 EDAERN COC(=O)NCCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176439493 291195677 /nfs/dbraw/zinc/19/56/77/291195677.db2.gz LGKIOEZFSUMHHV-LBPRGKRZSA-N 0 0 335.408 1.414 10 0 EDAERN Cc1c(C(=O)N[C@@H]2CCCn3ncnc32)nnn1-c1ccc(C)cc1 ZINC000177578403 237391252 /nfs/dbraw/zinc/39/12/52/237391252.db2.gz RKQXQPRNWAYJQV-CQSZACIVSA-N 0 0 337.387 1.741 10 0 EDAERN Cn1ccc(CC(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000183230520 138782786 /nfs/dbraw/zinc/78/27/86/138782786.db2.gz MMEROLZPZCKIHI-AEGPPILISA-N 0 0 348.447 1.724 10 0 EDAERN C[C@@H](NC(=O)CCc1cccc2c1OCO2)C(=O)N1CCCCC1 ZINC000184139911 138791869 /nfs/dbraw/zinc/79/18/69/138791869.db2.gz IOEFXSNEDNFQNO-CYBMUJFWSA-N 0 0 332.400 1.865 10 0 EDAERN CC1(Cn2cc(C(=O)N3CCC(c4cc[nH]n4)CC3)nn2)COC1 ZINC000184921802 138799039 /nfs/dbraw/zinc/79/90/39/138799039.db2.gz XRUPVCLZMMAUBS-UHFFFAOYSA-N 0 0 330.392 1.058 10 0 EDAERN CCn1cnc2c(nnc3c(-c4ccccc4)c(COC)nn32)c1=O ZINC000072449911 216238800 /nfs/dbraw/zinc/23/88/00/216238800.db2.gz NAUCAUOXZUWIPP-UHFFFAOYSA-N 0 0 336.355 1.668 10 0 EDAERN O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1CCCn2ncnc21 ZINC000129880974 223100382 /nfs/dbraw/zinc/10/03/82/223100382.db2.gz OLSCHNCSDZTTJA-GFCCVEGCSA-N 0 0 346.460 1.990 10 0 EDAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000121800887 291247276 /nfs/dbraw/zinc/24/72/76/291247276.db2.gz VXAMVBQVLZNOJF-HUUCEWRRSA-N 0 0 336.436 1.641 10 0 EDAERN CSCC[C@H](NC(=O)[C@@H](C)NC(C)=O)c1nc2ccccc2[nH]1 ZINC000072498216 216262582 /nfs/dbraw/zinc/26/25/82/216262582.db2.gz HQFMVEHSULCXCM-YGRLFVJLSA-N 0 0 334.445 1.998 10 0 EDAERN CN(C[C@@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072621713 216284801 /nfs/dbraw/zinc/28/48/01/216284801.db2.gz WYVYLDLTYPLGSW-HUUCEWRRSA-N 0 0 347.864 1.336 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000189067856 138859916 /nfs/dbraw/zinc/85/99/16/138859916.db2.gz VLQNKAWUJJQLNN-BSDSXHPESA-N 0 0 330.428 1.496 10 0 EDAERN O=C(CCOCC(F)(F)C(F)(F)F)N[C@H]1CCCn2ncnc21 ZINC000189104862 138861400 /nfs/dbraw/zinc/86/14/00/138861400.db2.gz FJRNIMKDPZMNDH-QMMMGPOBSA-N 0 0 342.268 1.834 10 0 EDAERN O=C(NC1CN(C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1)C1CC1 ZINC000189510701 138875994 /nfs/dbraw/zinc/87/59/94/138875994.db2.gz RPAQONBRZGNFEX-VXGBXAGGSA-N 0 0 338.329 1.944 10 0 EDAERN Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1C(=O)N(C)C ZINC000132803565 223363783 /nfs/dbraw/zinc/36/37/83/223363783.db2.gz ANCVQBSIZYNMNC-CYBMUJFWSA-N 0 0 342.403 1.425 10 0 EDAERN O=C(CCCc1ccc(F)c(F)c1)NC[C@@H](O)CN1CCOCC1 ZINC000132906240 223373149 /nfs/dbraw/zinc/37/31/49/223373149.db2.gz IBAOYVFAOUBHEV-CQSZACIVSA-N 0 0 342.386 1.097 10 0 EDAERN CCc1nnc2sc(-c3ccc(OCC(N)=O)c(OC)c3)nn12 ZINC000226298272 242096869 /nfs/dbraw/zinc/09/68/69/242096869.db2.gz CERDCTALUQGCRF-UHFFFAOYSA-N 0 0 333.373 1.288 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000109944231 220004040 /nfs/dbraw/zinc/00/40/40/220004040.db2.gz DOCJEOWKRKMMIY-CJNGLKHVSA-N 0 0 331.416 1.438 10 0 EDAERN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000076098327 216713274 /nfs/dbraw/zinc/71/32/74/216713274.db2.gz JIGBSUCUEAMVQN-WFASDCNBSA-N 0 0 331.416 1.844 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000190669198 138894999 /nfs/dbraw/zinc/89/49/99/138894999.db2.gz XASNANQCEZTTNL-QMMMGPOBSA-N 0 0 327.743 1.155 10 0 EDAERN C[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCS(=O)(=O)C1 ZINC000191642474 138920011 /nfs/dbraw/zinc/92/00/11/138920011.db2.gz SGHDEARDMRXKTF-XOVSCCBYSA-N 0 0 329.443 1.354 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@@H](c2nncn2C)C1)C(C)C ZINC000193904335 138981165 /nfs/dbraw/zinc/98/11/65/138981165.db2.gz GGHWXXHTFHLMKQ-ZBFHGGJFSA-N 0 0 349.479 1.708 10 0 EDAERN CCNS(=O)(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193955405 138982519 /nfs/dbraw/zinc/98/25/19/138982519.db2.gz DUASWZQIMBMOOM-JTQLQIEISA-N 0 0 333.479 1.668 10 0 EDAERN CCOC(=O)[C@H](NC(=O)c1nccnc1N)c1ccc(Cl)cc1 ZINC000194761911 139000120 /nfs/dbraw/zinc/00/01/20/139000120.db2.gz VKIDKKXBWFUOLO-LLVKDONJSA-N 0 0 334.763 1.746 10 0 EDAERN O=C(c1cccc(Cl)c1)N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194878528 139001771 /nfs/dbraw/zinc/00/17/71/139001771.db2.gz PPAFQYGHEPAFAY-CYBMUJFWSA-N 0 0 349.818 1.151 10 0 EDAERN O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCN2CCCC[C@@H]2C1 ZINC000195147274 139007840 /nfs/dbraw/zinc/00/78/40/139007840.db2.gz VNKAYXHYIVFYKQ-MRXNPFEDSA-N 0 0 346.456 1.731 10 0 EDAERN Cn1cc(C(=O)c2ccc(Br)c(F)c2)c(=O)n(C)c1=O ZINC000043576309 213588141 /nfs/dbraw/zinc/58/81/41/213588141.db2.gz BLLOLEOIFMSJPB-UHFFFAOYSA-N 0 0 341.136 1.217 10 0 EDAERN O=S(=O)(NCC[C@@H]1CCCO1)c1cncc(Br)c1 ZINC000044257252 213616737 /nfs/dbraw/zinc/61/67/37/213616737.db2.gz YDFYYMIVNKNQLX-JTQLQIEISA-N 0 0 335.223 1.692 10 0 EDAERN O=S(=O)(C[C@@H]1CCC[NH2+]1)[N-]c1ncc(Br)s1 ZINC000049644010 214023827 /nfs/dbraw/zinc/02/38/27/214023827.db2.gz GHIGJSAQIJUHIO-LURJTMIESA-N 0 0 326.241 1.399 10 0 EDAERN O=C(CN1CCCC[C@H]1c1nnc2n1CCCC2)N1CCOCC1 ZINC000195511269 139018717 /nfs/dbraw/zinc/01/87/17/139018717.db2.gz CUBHQDVKUSDZRQ-AWEZNQCLSA-N 0 0 333.436 1.000 10 0 EDAERN CNc1nc(CCNS(=O)(=O)c2ccc3c(c2)OCO3)cs1 ZINC000049717694 214028941 /nfs/dbraw/zinc/02/89/41/214028941.db2.gz WBGWZVWATNEQDU-UHFFFAOYSA-N 0 0 341.414 1.435 10 0 EDAERN Cc1nnc2sc(CNS(=O)(=O)Cc3ccc(F)cc3)nn12 ZINC000049721898 214029210 /nfs/dbraw/zinc/02/92/10/214029210.db2.gz XDJYGQYPQIXEJO-UHFFFAOYSA-N 0 0 341.393 1.253 10 0 EDAERN COc1ccc(Br)cc1CN(C)C(=O)c1nonc1N ZINC000049834410 214034675 /nfs/dbraw/zinc/03/46/75/214034675.db2.gz CNBZSFAYBPPJFH-UHFFFAOYSA-N 0 0 341.165 1.695 10 0 EDAERN CCN(C)C(=O)c1cccc(C(=O)N2CCC[C@]2(C)C(=O)OC)c1 ZINC000187636767 284329752 /nfs/dbraw/zinc/32/97/52/284329752.db2.gz CINPWWPDKLJCJU-GOSISDBHSA-N 0 0 332.400 1.946 10 0 EDAERN COc1cccc(CC(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c1 ZINC000110902471 220077648 /nfs/dbraw/zinc/07/76/48/220077648.db2.gz DCAYSMHXEDYHJO-SFHVURJKSA-N 0 0 343.427 1.979 10 0 EDAERN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083689 220098021 /nfs/dbraw/zinc/09/80/21/220098021.db2.gz LHWVYOOOVUVYDR-CJNGLKHVSA-N 0 0 333.363 1.717 10 0 EDAERN CCSc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000111080764 220096963 /nfs/dbraw/zinc/09/69/63/220096963.db2.gz SJNAGCWYKWZTPG-CQSZACIVSA-N 0 0 332.429 1.931 10 0 EDAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111085108 220097524 /nfs/dbraw/zinc/09/75/24/220097524.db2.gz KYSUYCSAFAWUBQ-DOTOQJQBSA-N 0 0 340.383 1.304 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n1 ZINC000111345141 220142100 /nfs/dbraw/zinc/14/21/00/220142100.db2.gz BHVJTNPNLWNYKC-QGZVFWFLSA-N 0 0 349.456 1.731 10 0 EDAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1C[C@@H]1C ZINC000111599334 220167693 /nfs/dbraw/zinc/16/76/93/220167693.db2.gz QNVDVFNDLFQIRP-JOYOIKCWSA-N 0 0 339.351 1.719 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000081073740 217357999 /nfs/dbraw/zinc/35/79/99/217357999.db2.gz VAHQGBPBLXGCKJ-GFCCVEGCSA-N 0 0 328.344 1.678 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000111795149 220191935 /nfs/dbraw/zinc/19/19/35/220191935.db2.gz PISAXZOTVYKWNJ-INIZCTEOSA-N 0 0 346.435 1.197 10 0 EDAERN CC(C)(C)C(=O)NCCNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111848210 220207833 /nfs/dbraw/zinc/20/78/33/220207833.db2.gz LBSCYLRFYOJPIC-LLVKDONJSA-N 0 0 340.449 1.388 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)/C=C/c3cccnc3)CC2)n1 ZINC000112035081 220232736 /nfs/dbraw/zinc/23/27/36/220232736.db2.gz HGKWTQRXJZJTBW-UZYOAWRESA-N 0 0 341.415 1.946 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)c3ccc(Cl)cc3)CCO2)c1 ZINC000112064264 220236400 /nfs/dbraw/zinc/23/64/00/220236400.db2.gz PVXBFDZIPXDRFG-HNNXBMFYSA-N 0 0 347.802 1.955 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](COC)c2ccc(C)o2)C[C@@H]1C ZINC000245435098 139074420 /nfs/dbraw/zinc/07/44/20/139074420.db2.gz SGLQYEPLCGXGIM-ZFWWWQNUSA-N 0 0 339.436 1.638 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3cccnc3)CCO2)c1 ZINC000112106496 220244743 /nfs/dbraw/zinc/24/47/43/220244743.db2.gz SHOGRFLXVCFREB-INIZCTEOSA-N 0 0 329.404 1.240 10 0 EDAERN CCCNC(=O)CCCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112117960 220245472 /nfs/dbraw/zinc/24/54/72/220245472.db2.gz OOXRIDFTHKGSAG-HNNXBMFYSA-N 0 0 336.436 1.115 10 0 EDAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@H](O)c1ccccc1 ZINC000081966551 217457031 /nfs/dbraw/zinc/45/70/31/217457031.db2.gz JRAIPTIWMDULFX-QZTJIDSGSA-N 0 0 329.396 1.756 10 0 EDAERN C[C@H]1CN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCS1 ZINC000112143520 220251312 /nfs/dbraw/zinc/25/13/12/220251312.db2.gz GBXQMVVNCOBMQB-DTWKUNHWSA-N 0 0 325.356 1.297 10 0 EDAERN CCN(CC(C)(C)O)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000245660742 284439733 /nfs/dbraw/zinc/43/97/33/284439733.db2.gz HOCZRZIJUMCUOF-LRDDRELGSA-N 0 0 331.478 1.804 10 0 EDAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CCOC[C@H]1C(N)=O ZINC000245753062 139085063 /nfs/dbraw/zinc/08/50/63/139085063.db2.gz HHWQYXFXEOIBON-APIJFGDWSA-N 0 0 326.437 1.177 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)O1 ZINC000246034181 139092780 /nfs/dbraw/zinc/09/27/80/139092780.db2.gz OCQNPRWQJBDEFM-IJEWVQPXSA-N 0 0 332.400 1.350 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3nc(CC)nn3C2)C12CCC2 ZINC000246198869 139098715 /nfs/dbraw/zinc/09/87/15/139098715.db2.gz MWBMXVKHLYMMJF-BFHYXJOUSA-N 0 0 347.463 1.802 10 0 EDAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000246530879 139111962 /nfs/dbraw/zinc/11/19/62/139111962.db2.gz JTANBCPBJYFPRE-WOPDTQHZSA-N 0 0 335.433 1.986 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CC(C)(C)OC ZINC000246778437 139121282 /nfs/dbraw/zinc/12/12/82/139121282.db2.gz MXUJNNMLKFVTCQ-CHWSQXEVSA-N 0 0 334.482 1.510 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000246900178 139126198 /nfs/dbraw/zinc/12/61/98/139126198.db2.gz AHGWSEMLNBEPRS-GJZGRUSLSA-N 0 0 348.447 1.376 10 0 EDAERN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCCN(c2cccnn2)CC1 ZINC000247031327 139132193 /nfs/dbraw/zinc/13/21/93/139132193.db2.gz DELMNOORTOJDQI-ZACQAIPSSA-N 0 0 345.491 1.882 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000247059830 139133579 /nfs/dbraw/zinc/13/35/79/139133579.db2.gz XJJGDKRHCDMQSA-RDJZCZTQSA-N 0 0 335.423 1.730 10 0 EDAERN C[C@H](c1nnnn1-c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247105441 139135821 /nfs/dbraw/zinc/13/58/21/139135821.db2.gz IPJRUFGAXNASJV-GDBMZVCRSA-N 0 0 339.403 1.321 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)OC[C@H]2CCCCO2)C[C@@H]1C ZINC000247116148 139136302 /nfs/dbraw/zinc/13/63/02/139136302.db2.gz NPDGUJTWZVGEGZ-HRCADAONSA-N 0 0 328.453 1.140 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000247127500 139136634 /nfs/dbraw/zinc/13/66/34/139136634.db2.gz KDVQPVHVZBBBSS-LSDHHAIUSA-N 0 0 347.459 1.869 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)C[C@@H]1C ZINC000247125041 139136674 /nfs/dbraw/zinc/13/66/74/139136674.db2.gz ODAZLYVJFYBHBL-JKSUJKDBSA-N 0 0 339.480 1.204 10 0 EDAERN CO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000247306055 139144447 /nfs/dbraw/zinc/14/44/47/139144447.db2.gz VPOHUWDXLIYZGJ-XNRPHZJLSA-N 0 0 334.416 2.000 10 0 EDAERN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000247522101 139151247 /nfs/dbraw/zinc/15/12/47/139151247.db2.gz WWAODDUOUVGCDX-NEPJUHHUSA-N 0 0 326.418 1.133 10 0 EDAERN C[C@H](O)C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000247675548 139153759 /nfs/dbraw/zinc/15/37/59/139153759.db2.gz RGIOBOFFEREJFP-BPUTZDHNSA-N 0 0 343.431 1.447 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)c1ccc(Br)cn1 ZINC000090989078 217958358 /nfs/dbraw/zinc/95/83/58/217958358.db2.gz BAUKZKLNAXOZGC-UHFFFAOYSA-N 0 0 345.222 1.738 10 0 EDAERN CCN(CC)C(=O)Cn1c2cccnc2n(Cc2ccco2)c1=O ZINC000012117506 211296509 /nfs/dbraw/zinc/29/65/09/211296509.db2.gz KGDJFHSNGKSSEG-UHFFFAOYSA-N 0 0 328.372 1.708 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)C[S@@](C)=O)C(C)C ZINC000248431536 139163680 /nfs/dbraw/zinc/16/36/80/139163680.db2.gz BNSALXWWXHHULS-PUYAPDRXSA-N 0 0 338.473 1.633 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)[C@@H]1CCCO1 ZINC000248447876 139164455 /nfs/dbraw/zinc/16/44/55/139164455.db2.gz HOUBPPOMSVFJHL-QEJZJMRPSA-N 0 0 332.404 1.444 10 0 EDAERN COCCN1CCN(C(=O)[C@H]2COc3cc(C)c(C)cc32)C[C@@H]1C ZINC000248556716 139167333 /nfs/dbraw/zinc/16/73/33/139167333.db2.gz CBTCPSQCCPFBBO-RDJZCZTQSA-N 0 0 332.444 1.959 10 0 EDAERN CC(C)Cc1nc(CN2CC[C@@]3(C2)CCCN(CCO)C3=O)no1 ZINC000091635724 218036295 /nfs/dbraw/zinc/03/62/95/218036295.db2.gz KASSGEBEDWYKCJ-QGZVFWFLSA-N 0 0 336.436 1.075 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C12CCOCC2 ZINC000248624855 139168804 /nfs/dbraw/zinc/16/88/04/139168804.db2.gz CTVCUOJTKZLADZ-SOUVJXGZSA-N 0 0 338.448 1.335 10 0 EDAERN Cc1nnc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)s1 ZINC000011608804 211224651 /nfs/dbraw/zinc/22/46/51/211224651.db2.gz WRGNVNNHDIRTBR-UHFFFAOYSA-N 0 0 347.425 1.745 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000091783321 218066048 /nfs/dbraw/zinc/06/60/48/218066048.db2.gz QNLDMCKTPMUOTG-JTQLQIEISA-N 0 0 333.171 1.085 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccccn1 ZINC000093354907 218217724 /nfs/dbraw/zinc/21/77/24/218217724.db2.gz XJKKOYLLESNBBL-ZDUSSCGKSA-N 0 0 328.376 1.069 10 0 EDAERN CCCOc1c(Cl)cc([C@@H]2NC(=O)[C@H]3COCCN32)cc1OC ZINC000093885260 218255644 /nfs/dbraw/zinc/25/56/44/218255644.db2.gz VOYWOTPBUNEBOT-IUODEOHRSA-N 0 0 340.807 1.967 10 0 EDAERN C[C@H](C(=O)Nc1ncccn1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249553850 139195484 /nfs/dbraw/zinc/19/54/84/139195484.db2.gz IZUJKZZDZBNQGN-KWCYVHTRSA-N 0 0 332.429 1.573 10 0 EDAERN CC(C)CNC(=O)NC(=O)CN1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249585230 139196094 /nfs/dbraw/zinc/19/60/94/139196094.db2.gz SRJOLCBHMWBYRA-UONOGXRCSA-N 0 0 339.461 1.238 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1[NH+](C)C ZINC000251825538 139202945 /nfs/dbraw/zinc/20/29/45/139202945.db2.gz PETKUNSPYKRKGE-BXKDBHETSA-N 0 0 348.266 1.415 10 0 EDAERN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCCc2c(N)cccc21 ZINC000261689602 139217776 /nfs/dbraw/zinc/21/77/76/139217776.db2.gz BCKIQPDUDQAKTH-SECBINFHSA-N 0 0 344.337 1.798 10 0 EDAERN O=C(c1ncccc1OCC(F)F)N1CCO[C@]2(CCCOC2)C1 ZINC000329186962 296306097 /nfs/dbraw/zinc/30/60/97/296306097.db2.gz QTEAJIDNRZDFBR-MRXNPFEDSA-N 0 0 342.342 1.747 10 0 EDAERN C[C@@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)C(=O)c1cccc(F)c1 ZINC000263268813 139332112 /nfs/dbraw/zinc/33/21/12/139332112.db2.gz RXBFTSNBGNJDBL-FZMZJTMJSA-N 0 0 332.379 1.846 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c(C)c1F ZINC000181715765 533069162 /nfs/dbraw/zinc/06/91/62/533069162.db2.gz NQDCIGKEJFBINT-JTQLQIEISA-N 0 0 340.380 1.548 10 0 EDAERN CNc1nc(-c2cn[nH]n2)nc(C2CC2)c1I ZINC000159017109 533072080 /nfs/dbraw/zinc/07/20/80/533072080.db2.gz DFAJXJDLZKHPCN-UHFFFAOYSA-N 0 0 342.144 1.785 10 0 EDAERN Cn1cc(CCCNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000097596346 219037987 /nfs/dbraw/zinc/03/79/87/219037987.db2.gz RGTWGRFNXIGDDG-CQSZACIVSA-N 0 0 336.436 1.726 10 0 EDAERN CNc1nnc(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000183509191 533098282 /nfs/dbraw/zinc/09/82/82/533098282.db2.gz ZTGLABDYULLCOP-VIFPVBQESA-N 0 0 334.401 1.771 10 0 EDAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112649392 220364084 /nfs/dbraw/zinc/36/40/84/220364084.db2.gz AVJFQVMLFXBQAA-CYBMUJFWSA-N 0 0 339.403 1.657 10 0 EDAERN CCc1ccc(C(=O)CCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112654017 220365951 /nfs/dbraw/zinc/36/59/51/220365951.db2.gz LZHRQNSFUXPXNJ-HNNXBMFYSA-N 0 0 326.400 1.935 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c2cnn(C(C)C)c2n1 ZINC000112658300 220366707 /nfs/dbraw/zinc/36/67/07/220366707.db2.gz FNCIWBXIVRACLW-LBPRGKRZSA-N 0 0 339.403 1.657 10 0 EDAERN O=C(NCc1cnn(-c2ccccc2)c1)N[C@H]1CCc2ncnn2C1 ZINC000112741723 220392009 /nfs/dbraw/zinc/39/20/09/220392009.db2.gz YYYBRPKSLLVXHL-AWEZNQCLSA-N 0 0 337.387 1.278 10 0 EDAERN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cnc(C(=O)[O-])cn1 ZINC000263424517 139341158 /nfs/dbraw/zinc/34/11/58/139341158.db2.gz QSLXCMAIPORYJF-CQSZACIVSA-N 0 0 341.415 1.797 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(CCO)Cc2ccccc2)C1 ZINC000263514172 139346132 /nfs/dbraw/zinc/34/61/32/139346132.db2.gz ZSQUGUHWRBUXEN-UHFFFAOYSA-N 0 0 349.431 1.128 10 0 EDAERN O=C(/C=C\c1ccc[nH]1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000492012360 255159158 /nfs/dbraw/zinc/15/91/58/255159158.db2.gz YDPQVEKRXAPSPN-CNZFZVQHSA-N 0 0 325.412 1.906 10 0 EDAERN COc1ccnc(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c1 ZINC000116197909 220940029 /nfs/dbraw/zinc/94/00/29/220940029.db2.gz OQPCCIIWXHUEKI-HNNXBMFYSA-N 0 0 330.388 1.445 10 0 EDAERN CC(=O)c1cc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n(C)c1 ZINC000116773242 220988648 /nfs/dbraw/zinc/98/86/48/220988648.db2.gz XBQHOONDGSMZRD-HNNXBMFYSA-N 0 0 343.431 1.988 10 0 EDAERN Cc1ccc([C@@H]2COCCN2C(=O)NC[C@H](C)N2CCOCC2)o1 ZINC000116940510 221013414 /nfs/dbraw/zinc/01/34/14/221013414.db2.gz MYEWBHNOZUIDDY-ZFWWWQNUSA-N 0 0 337.420 1.392 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1CCOC ZINC000117371542 221059177 /nfs/dbraw/zinc/05/91/77/221059177.db2.gz BKHBFGKFDGWYFO-MRXNPFEDSA-N 0 0 344.452 1.698 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2C)CCN1CCOC ZINC000117372092 221059378 /nfs/dbraw/zinc/05/93/78/221059378.db2.gz OIGYVUSKGQCPGX-OAHLLOKOSA-N 0 0 344.452 1.865 10 0 EDAERN COCCN1CCN(C(=O)c2cncc(Br)c2)C[C@@H]1C ZINC000117294282 221048114 /nfs/dbraw/zinc/04/81/14/221048114.db2.gz NPTXXQIHQOHSGP-NSHDSACASA-N 0 0 342.237 1.637 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(OC)cc(OC)c2)CCN1CCOC ZINC000117304253 221050726 /nfs/dbraw/zinc/05/07/26/221050726.db2.gz ZFTXQAMTXCVDSS-HNNXBMFYSA-N 0 0 336.432 1.887 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(CCOC)[C@@H](CC)C2)cc1 ZINC000117526623 221074332 /nfs/dbraw/zinc/07/43/32/221074332.db2.gz WUTFIJIGZINIHY-KRWDZBQOSA-N 0 0 347.459 1.757 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000117522125 221074542 /nfs/dbraw/zinc/07/45/42/221074542.db2.gz OIQNMNQJSHMRES-AWEZNQCLSA-N 0 0 345.443 1.293 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000117812563 221091685 /nfs/dbraw/zinc/09/16/85/221091685.db2.gz LGQLACVDBINYEJ-UHFFFAOYSA-N 0 0 348.428 1.062 10 0 EDAERN Cc1cnn(CCNC(=O)NC2CCN(C(=O)c3ccco3)CC2)c1 ZINC000118056951 221109790 /nfs/dbraw/zinc/10/97/90/221109790.db2.gz PGXBUMMUMMPJLI-UHFFFAOYSA-N 0 0 345.403 1.389 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000118077871 221112906 /nfs/dbraw/zinc/11/29/06/221112906.db2.gz KFOFNWMJZFOTQL-UHFFFAOYSA-N 0 0 346.435 1.324 10 0 EDAERN CCCCc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000118115726 221121482 /nfs/dbraw/zinc/12/14/82/221121482.db2.gz OWMVTDLZHVNKLW-INIZCTEOSA-N 0 0 333.432 1.415 10 0 EDAERN COc1cc(NC(=O)C2=NNC(=O)CC2)ccc1Br ZINC000118825680 221190746 /nfs/dbraw/zinc/19/07/46/221190746.db2.gz LNSFPSPEKCPRKK-UHFFFAOYSA-N 0 0 326.150 1.662 10 0 EDAERN COCCN1CCN([C@H]2CCN(c3ccc(C)cc3)C2=O)C[C@H]1C ZINC000119161512 221256919 /nfs/dbraw/zinc/25/69/19/221256919.db2.gz RHDYQOYKURTMOM-AEFFLSMTSA-N 0 0 331.460 1.753 10 0 EDAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C1 ZINC000119170016 221257759 /nfs/dbraw/zinc/25/77/59/221257759.db2.gz OFPIMDXMLFGUAG-JKSUJKDBSA-N 0 0 346.475 1.850 10 0 EDAERN COCCC1(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CCC1 ZINC000119471639 221328484 /nfs/dbraw/zinc/32/84/84/221328484.db2.gz PITKVYYZAGVFAE-CVEARBPZSA-N 0 0 339.480 1.555 10 0 EDAERN O[C@@H]1CCCC[C@@H]1CNc1ncnc2c1cnn2-c1ncccn1 ZINC000119550583 221345522 /nfs/dbraw/zinc/34/55/22/221345522.db2.gz LVQRCKXMXPRSDX-DGCLKSJQSA-N 0 0 325.376 1.569 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000119898804 221429967 /nfs/dbraw/zinc/42/99/67/221429967.db2.gz ZARJCAXSWSZARI-KBPBESRZSA-N 0 0 348.447 1.993 10 0 EDAERN Cc1cnc(C(=O)N2CCO[C@@H]3[C@H](Oc4cccnc4)CC[C@H]32)cn1 ZINC000253601818 257658321 /nfs/dbraw/zinc/65/83/21/257658321.db2.gz XITZLVOPLIUFIJ-ZACQAIPSSA-N 0 0 340.383 1.631 10 0 EDAERN Cc1cncc(C(=O)N2C[C@H]3CN(Cc4ccoc4)CCO[C@H]3C2)c1 ZINC000253602511 257658383 /nfs/dbraw/zinc/65/83/83/257658383.db2.gz PFINLVJXJVVQPF-MSOLQXFVSA-N 0 0 341.411 1.956 10 0 EDAERN COC[C@H]1CCOC12CN(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000247908011 257674481 /nfs/dbraw/zinc/67/44/81/257674481.db2.gz XOBAJXXNWNGNQH-CQSZACIVSA-N 0 0 325.430 1.327 10 0 EDAERN O=C(NCc1cccnc1)[C@@H]1C[C@H]2CCN(c3ncccn3)C[C@@H]2O1 ZINC000247475765 257682582 /nfs/dbraw/zinc/68/25/82/257682582.db2.gz HDFVQXAGJHJPOE-PMPSAXMXSA-N 0 0 339.399 1.172 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)NCCn2cccn2)cn1 ZINC000299746454 258008565 /nfs/dbraw/zinc/00/85/65/258008565.db2.gz XMGDEMWEESYJAL-DZGCQCFKSA-N 0 0 331.376 1.116 10 0 EDAERN COc1ncncc1NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181627054 533299138 /nfs/dbraw/zinc/29/91/38/533299138.db2.gz SMPMWLVIGMZCGD-JTQLQIEISA-N 0 0 331.380 1.337 10 0 EDAERN COc1ccc(C(F)(F)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000153623853 533368806 /nfs/dbraw/zinc/36/88/06/533368806.db2.gz FWLJEACXIODLHH-QWHCGFSZSA-N 0 0 342.386 1.701 10 0 EDAERN C[C@@H](Nc1ncc(I)cn1)C(=O)N1CCCC1 ZINC000159157223 533565982 /nfs/dbraw/zinc/56/59/82/533565982.db2.gz LELRHZNTEWMGRV-MRVPVSSYSA-N 0 0 346.172 1.504 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(F)ccc1Cl ZINC000176747313 296460823 /nfs/dbraw/zinc/46/08/23/296460823.db2.gz MTCUCHGBQJYJJA-SNVBAGLBSA-N 0 0 330.772 1.884 10 0 EDAERN COc1cc(C)cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O ZINC000173981733 533619395 /nfs/dbraw/zinc/61/93/95/533619395.db2.gz UCYQFHXYNVUXKX-HIFRSBDPSA-N 0 0 334.416 1.502 10 0 EDAERN COc1cccc(OC)c1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173981827 533622322 /nfs/dbraw/zinc/62/23/22/533622322.db2.gz YUXVTTYDBIEQDP-ZIAGYGMSSA-N 0 0 334.416 1.497 10 0 EDAERN COc1cccc(OCCN2CCN(Cc3nnc(C)n3C)CC2)c1 ZINC000164534780 533663327 /nfs/dbraw/zinc/66/33/27/533663327.db2.gz PTJOFAVDEAGNJT-UHFFFAOYSA-N 0 0 345.447 1.329 10 0 EDAERN Nc1cnn(CCN2C(=O)COc3ccc(Br)cc32)c1 ZINC000050614995 132179078 /nfs/dbraw/zinc/17/90/78/132179078.db2.gz LKMKKOPQSNDQJR-UHFFFAOYSA-N 0 0 337.177 1.653 10 0 EDAERN COC(=O)C1CCN(c2ncnc(Nc3cccnc3)c2N)CC1 ZINC000040759846 132407752 /nfs/dbraw/zinc/40/77/52/132407752.db2.gz IMEZKNFPVPUQNF-UHFFFAOYSA-N 0 0 328.376 1.587 10 0 EDAERN O=C1Cc2cc(S(=O)(=O)N3CC[C@H](O)c4ccccc43)ccc2N1 ZINC000062552767 132805819 /nfs/dbraw/zinc/80/58/19/132805819.db2.gz RUEXUSLYOYROBG-INIZCTEOSA-N 0 0 344.392 1.814 10 0 EDAERN C[C@@H]1CN(CC(=O)N2CCN(c3ccccc3F)CC2)C[C@@H](C)O1 ZINC000066696469 135615262 /nfs/dbraw/zinc/61/52/62/135615262.db2.gz NABCBLYNPGPUEN-HUUCEWRRSA-N 0 0 335.423 1.584 10 0 EDAERN C[C@@H](Cc1cccs1)Nc1nc2nonc2nc1N1CCOCC1 ZINC000014973012 135706306 /nfs/dbraw/zinc/70/63/06/135706306.db2.gz DJNJHGMBBJSHJH-JTQLQIEISA-N 0 0 346.416 1.954 10 0 EDAERN O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000330145906 304302433 /nfs/dbraw/zinc/30/24/33/304302433.db2.gz HPCFDDHRIUJQHW-BFHYXJOUSA-N 0 0 327.446 1.371 10 0 EDAERN Cc1nc(C)n(C2CN(C(=O)c3cc(C)nc4c3cnn4C)C2)n1 ZINC000328788557 140675351 /nfs/dbraw/zinc/67/53/51/140675351.db2.gz PJYAEZVTRNPYHF-UHFFFAOYSA-N 0 0 325.376 1.182 10 0 EDAERN O=C(C[C@H]1CCCCNC1=O)N1CCCN(c2cccnn2)CC1 ZINC000328805267 140676484 /nfs/dbraw/zinc/67/64/84/140676484.db2.gz HOEAGOFIGGGGCO-CQSZACIVSA-N 0 0 331.420 1.662 10 0 EDAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2nc(C3CC3)n3ccccc23)CC1=O ZINC000329183428 140699385 /nfs/dbraw/zinc/69/93/85/140699385.db2.gz PIIOIFKICHUQDK-UXIGCNINSA-N 0 0 338.411 1.951 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cnn4ccncc34)CCO2)n1 ZINC000329261458 140703775 /nfs/dbraw/zinc/70/37/75/140703775.db2.gz DBMNVPPUGHFPKF-AWEZNQCLSA-N 0 0 340.387 1.084 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ccccc21)C1CCS(=O)(=O)CC1 ZINC000329470862 140731008 /nfs/dbraw/zinc/73/10/08/140731008.db2.gz ZCPWSUZHFOHXMF-AWEZNQCLSA-N 0 0 329.443 1.171 10 0 EDAERN Cc1nc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)cs1 ZINC000330267488 140825714 /nfs/dbraw/zinc/82/57/14/140825714.db2.gz ICYXSLOTEXNDCW-WFASDCNBSA-N 0 0 347.444 1.363 10 0 EDAERN C[C@@H]1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H]1O ZINC000333014077 141250142 /nfs/dbraw/zinc/25/01/42/141250142.db2.gz BTKZWGCMOHPXDF-IUODEOHRSA-N 0 0 333.413 1.535 10 0 EDAERN CN(C)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)nc1 ZINC000333291357 141293822 /nfs/dbraw/zinc/29/38/22/141293822.db2.gz RLWSAGQBGJKKSY-KGLIPLIRSA-N 0 0 330.432 1.669 10 0 EDAERN Cc1nnc2n1C[C@H](CNC(=O)N1C[C@@]3(CCCO3)[C@H]1C(C)C)CC2 ZINC000333985791 141422191 /nfs/dbraw/zinc/42/21/91/141422191.db2.gz GMDHAFBGCZPQEV-LESCRADOSA-N 0 0 347.463 1.748 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000334104923 141449418 /nfs/dbraw/zinc/44/94/18/141449418.db2.gz XTBUZGVPKIRVME-HUUCEWRRSA-N 0 0 325.453 1.044 10 0 EDAERN Cc1ccc(C)n1-c1c(C(=O)N[C@@H]2CCc3ncnn3C2)cnn1C ZINC000112661615 292088985 /nfs/dbraw/zinc/08/89/85/292088985.db2.gz YHQYWSUHMPZXDF-CYBMUJFWSA-N 0 0 339.403 1.164 10 0 EDAERN COc1cccc([C@@H]2CCN2C(=O)c2cc3n(n2)CCN(C)C3)c1 ZINC000065375780 286463178 /nfs/dbraw/zinc/46/31/78/286463178.db2.gz WSBNQJIGXDNZSS-KRWDZBQOSA-N 0 0 326.400 1.924 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000091049918 287332036 /nfs/dbraw/zinc/33/20/36/287332036.db2.gz MVSNYIDWTCRSCI-AAEUAGOBSA-N 0 0 342.465 1.216 10 0 EDAERN Cc1nn(C)c(C[C@@H](NN)c2snnc2C)c1Br ZINC000158394700 225006085 /nfs/dbraw/zinc/00/60/85/225006085.db2.gz IIKCLPNECUEGIC-SSDOTTSWSA-N 0 0 331.243 1.398 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCC[C@H](O)C2)C1 ZINC000122539924 287381240 /nfs/dbraw/zinc/38/12/40/287381240.db2.gz CBZIFMHGMBSNKZ-RDBSUJKOSA-N 0 0 326.437 1.911 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)C1CC1 ZINC000123545634 287388527 /nfs/dbraw/zinc/38/85/27/287388527.db2.gz DBYKNHZUAQWUKL-SSDOTTSWSA-N 0 0 342.193 1.001 10 0 EDAERN OCCN(CCO)c1ncc(Br)cc1Br ZINC000164039499 226039344 /nfs/dbraw/zinc/03/93/44/226039344.db2.gz ARZZHEZTODQUHZ-UHFFFAOYSA-N 0 0 340.015 1.398 10 0 EDAERN CCS(=O)(=O)[C@@H]1CSCCN1Cc1cc(N)cc(OC)c1 ZINC000164132833 226047449 /nfs/dbraw/zinc/04/74/49/226047449.db2.gz RMDRWSBAAYIREQ-CQSZACIVSA-N 0 0 330.475 1.587 10 0 EDAERN C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)C1 ZINC000164259576 226059745 /nfs/dbraw/zinc/05/97/45/226059745.db2.gz QPUISBSMQKLOQF-ZJUUUORDSA-N 0 0 335.422 1.648 10 0 EDAERN COCCNCc1nnnn1-c1cc(C)ccc1Br ZINC000164341381 226067265 /nfs/dbraw/zinc/06/72/65/226067265.db2.gz CMTAXMPGCGEMSD-UHFFFAOYSA-N 0 0 326.198 1.469 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCn3ccnc3C2)cc(N)c1Cl ZINC000164754711 226097826 /nfs/dbraw/zinc/09/78/26/226097826.db2.gz LDXNRMRMNBOOSL-UHFFFAOYSA-N 0 0 326.809 1.632 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)NCCC(F)(F)F)c1 ZINC000165100305 226110445 /nfs/dbraw/zinc/11/04/45/226110445.db2.gz JBPLPBBASPIFKG-UHFFFAOYSA-N 0 0 348.705 1.809 10 0 EDAERN Cc1cc(N)ccc1S(=O)(=O)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000165391059 226122732 /nfs/dbraw/zinc/12/27/32/226122732.db2.gz AQSDKEMJMQFHBY-CHWSQXEVSA-N 0 0 331.459 1.707 10 0 EDAERN Nc1cc(Br)ccc1[S@](=O)CCC(=O)NC1CC1 ZINC000165525473 226126173 /nfs/dbraw/zinc/12/61/73/226126173.db2.gz TYQMRHBLJSOCCN-SFHVURJKSA-N 0 0 331.235 1.808 10 0 EDAERN NC(=S)c1c(F)cccc1NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000168463527 226214948 /nfs/dbraw/zinc/21/49/48/226214948.db2.gz CQROTPRRBNZKEK-JTQLQIEISA-N 0 0 330.406 1.366 10 0 EDAERN Nc1ccc(Br)cc1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000168654842 226221137 /nfs/dbraw/zinc/22/11/37/226221137.db2.gz VOZYDZSTADMUPX-SNVBAGLBSA-N 0 0 338.205 1.478 10 0 EDAERN C[C@H]([C@H](O)Cc1ccc(F)cc1Br)S(C)(=O)=O ZINC000168925368 226228457 /nfs/dbraw/zinc/22/84/57/226228457.db2.gz VPVRSEXRWKXESP-RDDDGLTNSA-N 0 0 325.199 1.925 10 0 EDAERN NS(=O)(=O)c1cccc(CNC(=O)c2cnccc2Cl)c1 ZINC000169283281 226236877 /nfs/dbraw/zinc/23/68/77/226236877.db2.gz YWOHJPNJXUBUOV-UHFFFAOYSA-N 0 0 325.777 1.312 10 0 EDAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3COc4ccccc43)cc12 ZINC000171091923 226884568 /nfs/dbraw/zinc/88/45/68/226884568.db2.gz ARCWXSGMMPTNLA-CQSZACIVSA-N 0 0 344.396 1.689 10 0 EDAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ncn(C)c2Cl)cn1 ZINC000171432466 227078413 /nfs/dbraw/zinc/07/84/13/227078413.db2.gz FZSUDIMGZCLGCI-JTQLQIEISA-N 0 0 329.813 1.333 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000120507656 221598617 /nfs/dbraw/zinc/59/86/17/221598617.db2.gz SLOUNDRBZFDWLZ-AWEZNQCLSA-N 0 0 348.451 1.113 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000121690008 221906497 /nfs/dbraw/zinc/90/64/97/221906497.db2.gz YNHRSVCLEBUXSQ-SCLBCKFNSA-N 0 0 332.400 1.787 10 0 EDAERN CC(=O)NCCCNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000122040515 222001095 /nfs/dbraw/zinc/00/10/95/222001095.db2.gz BGLXMQUBVXTAFQ-DOMZBBRYSA-N 0 0 341.358 1.308 10 0 EDAERN CCCCN(CCOC)C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000122463927 222093934 /nfs/dbraw/zinc/09/39/34/222093934.db2.gz HJLSUZWDLYOIKF-ZDUSSCGKSA-N 0 0 339.440 1.718 10 0 EDAERN O=S(=O)(CCc1ccccc1)N1CCC(Nc2cccnn2)CC1 ZINC000122218348 222038847 /nfs/dbraw/zinc/03/88/47/222038847.db2.gz VSAZYSRXBDMHGA-UHFFFAOYSA-N 0 0 346.456 1.925 10 0 EDAERN O=C(Nc1ccc(F)cn1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000122280279 222051594 /nfs/dbraw/zinc/05/15/94/222051594.db2.gz OVPOWYWDRHOUDB-UHFFFAOYSA-N 0 0 342.338 1.013 10 0 EDAERN CN(C(=O)COc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122575989 222117070 /nfs/dbraw/zinc/11/70/70/222117070.db2.gz HHJXDAAYKYISCB-OAHLLOKOSA-N 0 0 326.400 1.983 10 0 EDAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123310035 222254810 /nfs/dbraw/zinc/25/48/10/222254810.db2.gz KAFBDQGUJZSWHG-MEDUHNTESA-N 0 0 337.807 1.827 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CCS1 ZINC000171575721 227147440 /nfs/dbraw/zinc/14/74/40/227147440.db2.gz HBEKICULXXWSMC-JTQLQIEISA-N 0 0 346.449 1.654 10 0 EDAERN O=C(c1ccc2c(c1)OCCCO2)N1CCC[C@@H](n2cncn2)C1 ZINC000171664589 227205312 /nfs/dbraw/zinc/20/53/12/227205312.db2.gz VSWPTPLLHVCHEN-CQSZACIVSA-N 0 0 328.372 1.917 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(C)C(=O)[C@@H]1C)C(C)C ZINC000188577939 272958501 /nfs/dbraw/zinc/95/85/01/272958501.db2.gz VOKPMEPZKUEYDX-GOEBONIOSA-N 0 0 345.443 1.439 10 0 EDAERN CCc1ccc([C@@H](COC)NC(=O)N[C@@H](C(=O)NC)C(C)C)o1 ZINC000192665536 272985303 /nfs/dbraw/zinc/98/53/03/272985303.db2.gz HWBDLLOLRXXNJG-TZMCWYRMSA-N 0 0 325.409 1.599 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCOC[C@@H]3C)C2=O)n(C)n1 ZINC000194529266 273003155 /nfs/dbraw/zinc/00/31/55/273003155.db2.gz KZXXHXYTKDAICZ-UBHSHLNASA-N 0 0 334.420 1.013 10 0 EDAERN CC(C)C(=O)NCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000054796406 267391340 /nfs/dbraw/zinc/39/13/40/267391340.db2.gz XOMGGHVNJVGZKL-LRDDRELGSA-N 0 0 344.477 1.073 10 0 EDAERN CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000083065681 267399328 /nfs/dbraw/zinc/39/93/28/267399328.db2.gz LETDMBXICHOXOP-SSDOTTSWSA-N 0 0 325.217 1.720 10 0 EDAERN O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CNC(=O)C1 ZINC000108892795 267443725 /nfs/dbraw/zinc/44/37/25/267443725.db2.gz HIPNGEUYLYGYFT-CQSZACIVSA-N 0 0 334.379 1.982 10 0 EDAERN NC(=O)COc1cccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177792582 272942026 /nfs/dbraw/zinc/94/20/26/272942026.db2.gz LHNMXSFMLZDEFG-CQSZACIVSA-N 0 0 328.372 1.052 10 0 EDAERN CCCn1c(C)nnc1CN1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000157076266 287679086 /nfs/dbraw/zinc/67/90/86/287679086.db2.gz VRWVEKCSDDSRGO-CYBMUJFWSA-N 0 0 347.467 1.821 10 0 EDAERN CCCn1c(C)nnc1CN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000157076133 287679125 /nfs/dbraw/zinc/67/91/25/287679125.db2.gz VRWVEKCSDDSRGO-ZDUSSCGKSA-N 0 0 347.467 1.821 10 0 EDAERN COCCN1CCN([C@@H]2CCN(c3ccccc3F)C2=O)C[C@H]1C ZINC000112345392 274029851 /nfs/dbraw/zinc/02/98/51/274029851.db2.gz RTSQRYZKHCIIPS-RHSMWYFYSA-N 0 0 335.423 1.584 10 0 EDAERN CC(C)C[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000252802516 278997984 /nfs/dbraw/zinc/99/79/84/278997984.db2.gz MQTYUMOIAUZBRM-CVEARBPZSA-N 0 0 333.432 1.076 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Cl)c(Br)c1 ZINC000220133081 279580033 /nfs/dbraw/zinc/58/00/33/279580033.db2.gz VWAIBKMROUDBLP-JTQLQIEISA-N 0 0 347.596 1.429 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC2(N3CCOCC3)CC2)C[C@]12CCCO2 ZINC000333998060 280044236 /nfs/dbraw/zinc/04/42/36/280044236.db2.gz PJYXBCFKYXMIAI-MAUKXSAKSA-N 0 0 337.464 1.450 10 0 EDAERN CC[C@H]1CN(C(=O)[C@H](C(C)C)N2CCCC2=O)CCN1CCOC ZINC000247276052 288267622 /nfs/dbraw/zinc/26/76/22/288267622.db2.gz ZXUQHPNHLWDLNF-RDJZCZTQSA-N 0 0 339.480 1.203 10 0 EDAERN CC[C@H]1CN(C(=O)c2c(OC)cccc2OC)CCN1C[C@H](C)O ZINC000245602890 288271419 /nfs/dbraw/zinc/27/14/19/288271419.db2.gz WLUSCIZQFSHOGW-KBPBESRZSA-N 0 0 336.432 1.621 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)N(C)C1CCCCC1 ZINC000329400395 289048354 /nfs/dbraw/zinc/04/83/54/289048354.db2.gz BCNWJEUIBBNWAV-GDBMZVCRSA-N 0 0 345.509 1.291 10 0 EDAERN CN(CC(=O)c1cnccn1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075340 289494202 /nfs/dbraw/zinc/49/42/02/289494202.db2.gz XEOVZBXUGVHYMU-ZDUSSCGKSA-N 0 0 334.420 1.991 10 0 EDAERN C[C@H](c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1)N1CCOCC1 ZINC000077747178 290234807 /nfs/dbraw/zinc/23/48/07/290234807.db2.gz XTYXWIRZZYSXBS-IOASZLSFSA-N 0 0 331.416 1.543 10 0 EDAERN C[C@@]1(C(=O)N2CC(NC(=O)C3CCC3)C2)Cc2ccccc2C(=O)O1 ZINC000188556398 297856130 /nfs/dbraw/zinc/85/61/30/297856130.db2.gz NWCABTJXVHWPGE-IBGZPJMESA-N 0 0 342.395 1.285 10 0 EDAERN C[C@H]1CN(C(=O)c2cccnc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000179514331 300201593 /nfs/dbraw/zinc/20/15/93/300201593.db2.gz JBEOSYFPXVLKRF-WCQYABFASA-N 0 0 343.349 1.893 10 0 EDAERN Cc1ccc(C(=O)N2CCOC[C@H]2C(N)=O)c(Br)c1 ZINC000091782639 301509656 /nfs/dbraw/zinc/50/96/56/301509656.db2.gz PKJFMELITGXXIW-NSHDSACASA-N 0 0 327.178 1.084 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(N)=O)C(C)C ZINC000070690046 441115202 /nfs/dbraw/zinc/11/52/02/441115202.db2.gz HBGAGUFFPNBTQX-BBRMVZONSA-N 0 0 333.432 1.553 10 0 EDAERN COc1ccc([C@H](C)NC(=O)N[C@H](C)c2nncn2C)cc1OC ZINC000046961925 441141611 /nfs/dbraw/zinc/14/16/11/441141611.db2.gz JAPGJTXHRIEDHX-WDEREUQCSA-N 0 0 333.392 1.954 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nncn1C ZINC000097941358 441146304 /nfs/dbraw/zinc/14/63/04/441146304.db2.gz QELVWFLEFWUOLL-NSHDSACASA-N 0 0 325.394 1.336 10 0 EDAERN COc1ccccc1[C@H](C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000014285987 441182955 /nfs/dbraw/zinc/18/29/55/441182955.db2.gz QOZICQAZUJDHHB-QEJZJMRPSA-N 0 0 342.395 1.824 10 0 EDAERN C[C@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1Br ZINC000047666108 441217386 /nfs/dbraw/zinc/21/73/86/441217386.db2.gz UEQIHZUIHULSFB-VIFPVBQESA-N 0 0 349.250 1.566 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000105282498 441247588 /nfs/dbraw/zinc/24/75/88/441247588.db2.gz HSTNRRVPQSHWTO-INIZCTEOSA-N 0 0 346.431 1.375 10 0 EDAERN Cc1ncc(CN2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)s1 ZINC000105814094 441276909 /nfs/dbraw/zinc/27/69/09/441276909.db2.gz RWHHTRHERJJCEO-INIZCTEOSA-N 0 0 348.447 1.935 10 0 EDAERN O=C(NCCN1CCc2sccc2C1)N[C@H]1CCCC[C@@H]1CO ZINC000081493167 441277663 /nfs/dbraw/zinc/27/76/63/441277663.db2.gz JLHCJORCWVYVTB-CABCVRRESA-N 0 0 337.489 1.957 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)[C@@H](C)OCC3CC3)CC2)cn1 ZINC000105830755 441284051 /nfs/dbraw/zinc/28/40/51/441284051.db2.gz BJHNYCVCKWYSLF-OAHLLOKOSA-N 0 0 334.464 1.752 10 0 EDAERN CCOCCN1CCN([C@@H](C)C(=O)Nc2nccs2)C[C@@H]1C ZINC000105835189 441286962 /nfs/dbraw/zinc/28/69/62/441286962.db2.gz PJBBYEKCZHGGSR-STQMWFEESA-N 0 0 326.466 1.513 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 ZINC000061874103 441291686 /nfs/dbraw/zinc/29/16/86/441291686.db2.gz OKVSNTLZZPGJLM-LLVKDONJSA-N 0 0 326.194 1.585 10 0 EDAERN C[C@@H](CC(=O)N1CCC[C@@H](n2cncn2)C1)NC(=O)C1CCCCC1 ZINC000105855721 441292979 /nfs/dbraw/zinc/29/29/79/441292979.db2.gz GRJKWDCYKWJULW-GOEBONIOSA-N 0 0 347.463 1.917 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)CCCC1 ZINC000105860002 441293206 /nfs/dbraw/zinc/29/32/06/441293206.db2.gz NCXUKSWGTQLJJC-OAHLLOKOSA-N 0 0 347.463 1.987 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)c1cccs1 ZINC000048881958 441335917 /nfs/dbraw/zinc/33/59/17/441335917.db2.gz MMXHXAUCXWLSIC-SNVBAGLBSA-N 0 0 342.384 1.540 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000106392617 441337182 /nfs/dbraw/zinc/33/71/82/441337182.db2.gz ZLPQGACQAWSXML-ZBFHGGJFSA-N 0 0 348.447 1.112 10 0 EDAERN COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl ZINC000082432368 441339640 /nfs/dbraw/zinc/33/96/40/441339640.db2.gz QEKZGDUTJPSIBJ-UHFFFAOYSA-N 0 0 328.571 1.537 10 0 EDAERN CN(C)c1ccnc(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000105867866 441297286 /nfs/dbraw/zinc/29/72/86/441297286.db2.gz KRKXPXNPYMBSDJ-UHFFFAOYSA-N 0 0 326.404 1.290 10 0 EDAERN COC(=O)CCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673129 441301481 /nfs/dbraw/zinc/30/14/81/441301481.db2.gz BMHAHJXZIBXPLK-UHFFFAOYSA-N 0 0 327.189 1.620 10 0 EDAERN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1nnnn1-c1ccccc1)CC2 ZINC000105873462 441302953 /nfs/dbraw/zinc/30/29/53/441302953.db2.gz DUKAOCLHVLQOFX-STQMWFEESA-N 0 0 338.419 1.482 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cn1 ZINC000105875076 441303706 /nfs/dbraw/zinc/30/37/06/441303706.db2.gz VZWUWQOSJHJSGR-UHFFFAOYSA-N 0 0 338.415 1.645 10 0 EDAERN CN(Cc1ccccc1F)C(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105889202 441309291 /nfs/dbraw/zinc/30/92/91/441309291.db2.gz ICGSYANKLCCACU-INIZCTEOSA-N 0 0 346.406 1.382 10 0 EDAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000024603966 441315024 /nfs/dbraw/zinc/31/50/24/441315024.db2.gz NHDXRZCFLJXUJT-CVEARBPZSA-N 0 0 336.457 1.994 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)o1 ZINC000024685784 441317382 /nfs/dbraw/zinc/31/73/82/441317382.db2.gz LQKCCORWMHVVPE-SNVBAGLBSA-N 0 0 342.355 1.025 10 0 EDAERN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC[C@@H]1CCCC[C@@H]1O ZINC000081826900 441319288 /nfs/dbraw/zinc/31/92/88/441319288.db2.gz CBSAPANYMDFZNC-JSGCOSHPSA-N 0 0 349.822 1.661 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(C)cc1F ZINC000083755122 441376164 /nfs/dbraw/zinc/37/61/64/441376164.db2.gz CVROXUSGSDUVSA-CYBMUJFWSA-N 0 0 331.351 1.624 10 0 EDAERN CCC(=O)N1CCc2c1cccc2C(=O)NCCCN1CCOCC1 ZINC000065209958 441407732 /nfs/dbraw/zinc/40/77/32/441407732.db2.gz DMHNNQIULHZEAE-UHFFFAOYSA-N 0 0 345.443 1.438 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(=O)n4[n-]ccc4n3)C2)n1 ZINC000108867808 441479181 /nfs/dbraw/zinc/47/91/81/441479181.db2.gz BQMIQPDQDIABAL-CQSZACIVSA-N 0 0 341.419 1.143 10 0 EDAERN C[C@@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)N1CCOCC1 ZINC000029956554 441479820 /nfs/dbraw/zinc/47/98/20/441479820.db2.gz YJNQATYMEBVULX-MAUKXSAKSA-N 0 0 348.443 1.695 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(-n2cccn2)n1 ZINC000088198149 441495397 /nfs/dbraw/zinc/49/53/97/441495397.db2.gz SWHOAGJKCAEYDG-LBPRGKRZSA-N 0 0 337.387 1.686 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C[C@H](C)O1 ZINC000029455698 441459690 /nfs/dbraw/zinc/45/96/90/441459690.db2.gz AJJOBGAKEYTLPE-RYUDHWBXSA-N 0 0 341.433 1.049 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1F ZINC000052606171 441464600 /nfs/dbraw/zinc/46/46/00/441464600.db2.gz APKZHMQEDDCJJC-OAHLLOKOSA-N 0 0 342.436 1.988 10 0 EDAERN COC(=O)C[C@H]1C(=O)N(C)[C@H](C(C)(C)C)N1C(=O)OC(C)(C)C ZINC000032209788 441547527 /nfs/dbraw/zinc/54/75/27/441547527.db2.gz BUJJXFBJGIEDEC-GWCFXTLKSA-N 0 0 328.409 1.999 10 0 EDAERN CC(=O)N[C@H](CCC(N)=O)C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000075136823 441501671 /nfs/dbraw/zinc/50/16/71/441501671.db2.gz OXHWNAJKZNDVDI-OAHLLOKOSA-N 0 0 333.432 1.717 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000076099868 441598481 /nfs/dbraw/zinc/59/84/81/441598481.db2.gz KUQNBKOTYJDGPY-UUIJZJDISA-N 0 0 349.406 1.902 10 0 EDAERN O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](CN2CCOCC2)C1 ZINC000034685854 441600580 /nfs/dbraw/zinc/60/05/80/441600580.db2.gz HKTKJPUKABBFDU-HNNXBMFYSA-N 0 0 339.823 1.905 10 0 EDAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000113595835 441616980 /nfs/dbraw/zinc/61/69/80/441616980.db2.gz SWYXCFBPWZZZDH-UONOGXRCSA-N 0 0 335.514 1.427 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1CC)CC2 ZINC000114868209 441693731 /nfs/dbraw/zinc/69/37/31/441693731.db2.gz YJAZHQNSDYTQOI-LBPRGKRZSA-N 0 0 343.431 1.987 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc([S@](C)=O)cc1)CC2 ZINC000114867279 441693868 /nfs/dbraw/zinc/69/38/68/441693868.db2.gz MFLHMTWZQKYGDI-SFDCACGMSA-N 0 0 332.429 1.323 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1ccc(OC)cc1)CC2 ZINC000114909147 441695969 /nfs/dbraw/zinc/69/59/69/441695969.db2.gz PYPBHLXOFKKHBC-CQSZACIVSA-N 0 0 343.431 1.706 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1C ZINC000121697066 441759739 /nfs/dbraw/zinc/75/97/39/441759739.db2.gz LGKHCNMSYJNNSM-CYBMUJFWSA-N 0 0 345.378 1.878 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(F)c1C ZINC000121691396 441760676 /nfs/dbraw/zinc/76/06/76/441760676.db2.gz PHILSKCSNXTMEC-ZDUSSCGKSA-N 0 0 345.378 1.878 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@H]3CN(C)CCO3)C2)n1 ZINC000173492751 441767710 /nfs/dbraw/zinc/76/77/10/441767710.db2.gz FUTJOPMJVVCDNP-KGLIPLIRSA-N 0 0 338.477 1.671 10 0 EDAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000077138971 441722948 /nfs/dbraw/zinc/72/29/48/441722948.db2.gz XAOOWKONHVOMOG-UWVGGRQHSA-N 0 0 332.404 1.057 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3ccc(Br)cn3)CCO2)[nH]1 ZINC000173658077 441815924 /nfs/dbraw/zinc/81/59/24/441815924.db2.gz DSRAKWLIJPMAFZ-GFCCVEGCSA-N 0 0 338.209 1.844 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3c(F)cc(F)cc3F)CCO2)[nH]1 ZINC000173523409 441776164 /nfs/dbraw/zinc/77/61/64/441776164.db2.gz JOJIHDZYIDJPIP-NSHDSACASA-N 0 0 326.278 1.744 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3c(F)cc(F)cc3F)CCO2)[nH]1 ZINC000173523427 441776361 /nfs/dbraw/zinc/77/63/61/441776361.db2.gz JOJIHDZYIDJPIP-LLVKDONJSA-N 0 0 326.278 1.744 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)CCCS(=O)(=O)N2CCCC2)o1 ZINC000121791916 441781351 /nfs/dbraw/zinc/78/13/51/441781351.db2.gz SMENUDCISSSWGI-CYBMUJFWSA-N 0 0 328.434 1.971 10 0 EDAERN CCn1nc(C)c(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1Cl ZINC000173533839 441781861 /nfs/dbraw/zinc/78/18/61/441781861.db2.gz QZSYVEACXOZDLY-SNVBAGLBSA-N 0 0 338.799 1.505 10 0 EDAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173543301 441786401 /nfs/dbraw/zinc/78/64/01/441786401.db2.gz HDXOKONKDFTDTM-OAHLLOKOSA-N 0 0 337.387 1.645 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Cl)c(Cl)n3C)CCO2)[nH]1 ZINC000173546520 441787907 /nfs/dbraw/zinc/78/79/07/441787907.db2.gz OYMXSMLMNCVMEZ-JTQLQIEISA-N 0 0 344.202 1.972 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CSCc3cccnc3)CCO2)[nH]1 ZINC000173551295 441789057 /nfs/dbraw/zinc/78/90/57/441789057.db2.gz CDRZJKGWKLXXFG-ZDUSSCGKSA-N 0 0 333.417 1.341 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(OC)cc3)CCO2)[nH]1 ZINC000173573809 441795382 /nfs/dbraw/zinc/79/53/82/441795382.db2.gz RXHQTWFFYXASJF-AWEZNQCLSA-N 0 0 330.388 1.518 10 0 EDAERN CC(C)c1csc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000121858116 441796678 /nfs/dbraw/zinc/79/66/78/441796678.db2.gz KGWSPXFZTQVURV-GFCCVEGCSA-N 0 0 326.466 1.739 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)CCc3ccc(OC)cc3)CCO2)[nH]1 ZINC000173582885 441799109 /nfs/dbraw/zinc/79/91/09/441799109.db2.gz IFZBHLRBWYSQJZ-HNNXBMFYSA-N 0 0 344.415 1.908 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000173602114 441802545 /nfs/dbraw/zinc/80/25/45/441802545.db2.gz YQLUPHIXMZKSRF-CQSZACIVSA-N 0 0 347.350 1.424 10 0 EDAERN Cc1cc(N2CC[C@@H](N3CCC(c4ccnn4C)CC3)C2=O)n(C)n1 ZINC000173605432 441802559 /nfs/dbraw/zinc/80/25/59/441802559.db2.gz WHCOTMNWOKSIAG-MRXNPFEDSA-N 0 0 342.447 1.447 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)OCc3ccccc3)C2)cn1 ZINC000116229360 441803479 /nfs/dbraw/zinc/80/34/79/441803479.db2.gz CXZOLXJXTSICII-HNNXBMFYSA-N 0 0 342.399 1.662 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116314825 441811632 /nfs/dbraw/zinc/81/16/32/441811632.db2.gz JALSFTVWHFOFSL-CQSZACIVSA-N 0 0 341.415 1.807 10 0 EDAERN O=C(NCc1cccnc1-n1ccnc1)NC[C@H]1CCCC[C@H]1O ZINC000077773450 441857601 /nfs/dbraw/zinc/85/76/01/441857601.db2.gz XDTMSPXELSDLQK-UKRRQHHQSA-N 0 0 329.404 1.618 10 0 EDAERN C[C@@H]1CCCN(c2cc(N3CCN(c4cnn(C)c4)CC3)ncn2)C1 ZINC000173920281 441861941 /nfs/dbraw/zinc/86/19/41/441861941.db2.gz MASFKBIYETYDSS-OAHLLOKOSA-N 0 0 341.463 1.773 10 0 EDAERN Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173936435 441864928 /nfs/dbraw/zinc/86/49/28/441864928.db2.gz VHJSPIGCBVLPFX-WMZOPIPTSA-N 0 0 331.460 1.406 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116587141 441831607 /nfs/dbraw/zinc/83/16/07/441831607.db2.gz PHYATJNPWNMKPE-AWEZNQCLSA-N 0 0 326.400 1.992 10 0 EDAERN CC(=O)c1cc(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)n(C)c1 ZINC000116773238 441842840 /nfs/dbraw/zinc/84/28/40/441842840.db2.gz XBQHOONDGSMZRD-OAHLLOKOSA-N 0 0 343.431 1.988 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc3c2OCO3)C[C@H]1CC ZINC000116769986 441843061 /nfs/dbraw/zinc/84/30/61/441843061.db2.gz XYZURFKZENRQGV-CQSZACIVSA-N 0 0 334.416 1.988 10 0 EDAERN COc1cccc(OCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000173841086 441848318 /nfs/dbraw/zinc/84/83/18/441848318.db2.gz XOJNWNVURASYJZ-YOEHRIQHSA-N 0 0 334.416 1.253 10 0 EDAERN COc1cccc(OCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173841097 441848873 /nfs/dbraw/zinc/84/88/73/441848873.db2.gz XOJNWNVURASYJZ-RHSMWYFYSA-N 0 0 334.416 1.253 10 0 EDAERN Cc1cccc(C)c1OCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173874712 441854783 /nfs/dbraw/zinc/85/47/83/441854783.db2.gz BDYMHUPCIKVVAK-IAGOWNOFSA-N 0 0 332.444 1.861 10 0 EDAERN C[C@H]1CN(C(=O)CCC(=O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000173871119 441854907 /nfs/dbraw/zinc/85/49/07/441854907.db2.gz PTHLITQPWRDLIF-DOTOQJQBSA-N 0 0 330.428 1.829 10 0 EDAERN COC(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078370925 441926172 /nfs/dbraw/zinc/92/61/72/441926172.db2.gz KDSYJTKPKNUBPC-RYUDHWBXSA-N 0 0 336.413 1.523 10 0 EDAERN C[C@H](SCC(=O)NC[C@@H]1CN(C)CCO1)c1nc2ccccc2[nH]1 ZINC000174149436 441893616 /nfs/dbraw/zinc/89/36/16/441893616.db2.gz PGPBWEFIEAECNF-QWHCGFSZSA-N 0 0 348.472 1.804 10 0 EDAERN CN(C)c1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000125033693 441976495 /nfs/dbraw/zinc/97/64/95/441976495.db2.gz LAKYHGPTQKWKEQ-HNNXBMFYSA-N 0 0 325.416 1.941 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174595897 441941936 /nfs/dbraw/zinc/94/19/36/441941936.db2.gz KNQMEJFCKDRPSP-ZBFHGGJFSA-N 0 0 343.431 1.185 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000150791746 441952321 /nfs/dbraw/zinc/95/23/21/441952321.db2.gz FHAYXLYLIAPMPR-SKDRFNHKSA-N 0 0 343.349 1.887 10 0 EDAERN COC[C@H](NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000120029353 441996148 /nfs/dbraw/zinc/99/61/48/441996148.db2.gz XHDCMEXEYKJDCO-ZWKOTPCHSA-N 0 0 347.459 1.472 10 0 EDAERN C[C@H](NC(=O)NCC1(CO)COC1)c1ccccc1Br ZINC000120074905 442002410 /nfs/dbraw/zinc/00/24/10/442002410.db2.gz XJOJDBBLXKJESV-JTQLQIEISA-N 0 0 343.221 1.818 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@H]3OCCc4ccccc43)CCO2)[nH]1 ZINC000151277611 442036818 /nfs/dbraw/zinc/03/68/18/442036818.db2.gz GVCIUTAHCWPAQY-ZBFHGGJFSA-N 0 0 342.399 1.581 10 0 EDAERN CCC(CC)(CO)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000151624951 442096092 /nfs/dbraw/zinc/09/60/92/442096092.db2.gz BYHAMHVEDRHVQF-LBPRGKRZSA-N 0 0 339.440 1.357 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)C2CCOCC2)C1 ZINC000151424522 442059759 /nfs/dbraw/zinc/05/97/59/442059759.db2.gz OJSUNQICMRFOEF-HIFRSBDPSA-N 0 0 325.453 1.892 10 0 EDAERN OC[C@@H](Nc1cc(N[C@@H](CO)c2ccco2)ncn1)c1ccco1 ZINC000125962499 442065258 /nfs/dbraw/zinc/06/52/58/442065258.db2.gz NIOUHECTKLAQFD-TXEJJXNPSA-N 0 0 330.344 1.954 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000175466879 442068487 /nfs/dbraw/zinc/06/84/87/442068487.db2.gz AKBVBFITZKPFIV-CYBMUJFWSA-N 0 0 348.403 1.217 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCC1(CO)CCOCC1)C(C)C ZINC000151729802 442112116 /nfs/dbraw/zinc/11/21/16/442112116.db2.gz XTQPNNKIGCYZBO-HNNXBMFYSA-N 0 0 328.453 1.079 10 0 EDAERN Cc1noc(C)c1CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175768699 442118371 /nfs/dbraw/zinc/11/83/71/442118371.db2.gz LOGQMWKIRGMZNU-BLLLJJGKSA-N 0 0 336.436 1.196 10 0 EDAERN O=C(c1cccnc1OCC(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000126513100 442119244 /nfs/dbraw/zinc/11/92/44/442119244.db2.gz QRSHBHAOSMNZEE-LLVKDONJSA-N 0 0 337.330 1.794 10 0 EDAERN CC[C@@H]1CN(Cc2cnc3nc(C)cc(C)n23)CC[N@@H+]1C[C@@H](C)O ZINC000120723147 442123116 /nfs/dbraw/zinc/12/31/16/442123116.db2.gz SEGLFATVFNIUEC-HZPDHXFCSA-N 0 0 331.464 1.623 10 0 EDAERN O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CCCn2ncnc21 ZINC000175822852 442129568 /nfs/dbraw/zinc/12/95/68/442129568.db2.gz RBUZPIDITWLWAE-CQSZACIVSA-N 0 0 348.451 1.641 10 0 EDAERN C[C@@H]1CN(C(=O)NCCc2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000175638447 442098518 /nfs/dbraw/zinc/09/85/18/442098518.db2.gz SWFCKARDFLOYPD-PBHICJAKSA-N 0 0 335.423 1.730 10 0 EDAERN COc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)nn1 ZINC000121039924 442169450 /nfs/dbraw/zinc/16/94/50/442169450.db2.gz KWTYCJHXVWVJSM-LBPRGKRZSA-N 0 0 328.376 1.016 10 0 EDAERN CN(CCS(C)(=O)=O)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121097286 442176436 /nfs/dbraw/zinc/17/64/36/442176436.db2.gz ZDHBUMFXAQSFAY-ZDUSSCGKSA-N 0 0 340.445 1.975 10 0 EDAERN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176104795 442177441 /nfs/dbraw/zinc/17/74/41/442177441.db2.gz JXEMWNCIHUETTF-ZDUSSCGKSA-N 0 0 343.387 1.575 10 0 EDAERN Cc1cc(CNC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)on1 ZINC000176178124 442185994 /nfs/dbraw/zinc/18/59/94/442185994.db2.gz KHFIDWNSTYQQPH-CYBMUJFWSA-N 0 0 346.391 1.020 10 0 EDAERN CC[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCN1CCOC ZINC000127329246 442193739 /nfs/dbraw/zinc/19/37/39/442193739.db2.gz FLFAALOTQQXIIZ-LBPRGKRZSA-N 0 0 346.353 1.678 10 0 EDAERN Cn1nccc1C1CCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000120914273 442151859 /nfs/dbraw/zinc/15/18/59/442151859.db2.gz ZYKHHFJUVKFERX-UHFFFAOYSA-N 0 0 327.388 1.931 10 0 EDAERN CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H]2c2ccco2)n1 ZINC000175954415 442152784 /nfs/dbraw/zinc/15/27/84/442152784.db2.gz XTJJAYWSLVJMBR-NSHDSACASA-N 0 0 332.364 1.328 10 0 EDAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000097015659 442155450 /nfs/dbraw/zinc/15/54/50/442155450.db2.gz QNWVFPMXMFLTGZ-AWEZNQCLSA-N 0 0 347.396 1.023 10 0 EDAERN CCOCCN1CCN(C(=O)c2cn(CCC(C)C)nn2)C[C@H]1C ZINC000152051151 442158896 /nfs/dbraw/zinc/15/88/96/442158896.db2.gz JCXXGDRWKLIDIA-OAHLLOKOSA-N 0 0 337.468 1.507 10 0 EDAERN Cn1cnnc1CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152963266 442253467 /nfs/dbraw/zinc/25/34/67/442253467.db2.gz UDAHYBZFXZFSHW-UHFFFAOYSA-N 0 0 338.415 1.788 10 0 EDAERN CCC(CC)[C@H](O)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000152992777 442254789 /nfs/dbraw/zinc/25/47/89/442254789.db2.gz YYDKFZYGUATKFL-QWHCGFSZSA-N 0 0 339.440 1.356 10 0 EDAERN CC(C)Nc1ncnc2c1ncn2C[C@H](O)COC1CCOCC1 ZINC000127540159 442210572 /nfs/dbraw/zinc/21/05/72/442210572.db2.gz IVGMIXLYZKYJBR-LBPRGKRZSA-N 0 0 335.408 1.203 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)Nc3nnc(CC)s3)CCO2)[nH]1 ZINC000152429338 442211697 /nfs/dbraw/zinc/21/16/97/442211697.db2.gz YWVMDWQZWBQYAU-QMMMGPOBSA-N 0 0 337.409 1.386 10 0 EDAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1-c1cc(C)ccc1C ZINC000121396277 442212027 /nfs/dbraw/zinc/21/20/27/442212027.db2.gz PGSDFNREOMNEKQ-INIZCTEOSA-N 0 0 342.443 1.858 10 0 EDAERN COCCCN(CCOC)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121411349 442213288 /nfs/dbraw/zinc/21/32/88/442213288.db2.gz ITODBPXIUFJLTE-ZDUSSCGKSA-N 0 0 339.440 1.370 10 0 EDAERN C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccc(F)cc1 ZINC000176432117 442221424 /nfs/dbraw/zinc/22/14/24/442221424.db2.gz WPODPTMUEZSVSJ-SWLSCSKDSA-N 0 0 325.384 1.223 10 0 EDAERN C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1cccc(F)c1 ZINC000176438488 442222023 /nfs/dbraw/zinc/22/20/23/442222023.db2.gz CGDXAEWHKHEMJT-DOMZBBRYSA-N 0 0 325.384 1.223 10 0 EDAERN CC(=O)NC(C)(C)c1noc(CCOc2ccc(C(N)=O)cc2)n1 ZINC000176458672 442225070 /nfs/dbraw/zinc/22/50/70/442225070.db2.gz VNLMMIGJMYLNIS-UHFFFAOYSA-N 0 0 332.360 1.161 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1nc(C(C)(C)C)no1 ZINC000176564240 442234853 /nfs/dbraw/zinc/23/48/53/442234853.db2.gz CMWZRHYPCLRPKY-VHSXEESVSA-N 0 0 333.396 1.854 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1cccc(F)c1 ZINC000176570366 442235590 /nfs/dbraw/zinc/23/55/90/442235590.db2.gz VDVLBHUEYLSKEF-JOCHJYFZSA-N 0 0 325.369 1.281 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000152817378 442245121 /nfs/dbraw/zinc/24/51/21/442245121.db2.gz RXKQQWDAEKYXBQ-CQSZACIVSA-N 0 0 335.452 1.653 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000128139739 442248039 /nfs/dbraw/zinc/24/80/39/442248039.db2.gz WAJMEYUTONOMCQ-UHFFFAOYSA-N 0 0 328.420 1.851 10 0 EDAERN O=C(N1CCN(C[C@@H](O)c2ccccc2)CC1)C1(O)CCCCC1 ZINC000128143548 442248061 /nfs/dbraw/zinc/24/80/61/442248061.db2.gz YBOCOOBZLYSFJN-QGZVFWFLSA-N 0 0 332.444 1.559 10 0 EDAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000128157639 442248610 /nfs/dbraw/zinc/24/86/10/442248610.db2.gz RWQVQGOGTCWDTD-NEPJUHHUSA-N 0 0 332.809 1.021 10 0 EDAERN C[C@H](CNC(=O)c1cnc(-c2ccccn2)s1)N1CCOCC1 ZINC000170779199 442262800 /nfs/dbraw/zinc/26/28/00/442262800.db2.gz NIIGNGJUGXXRKV-GFCCVEGCSA-N 0 0 332.429 1.656 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000153178943 442265929 /nfs/dbraw/zinc/26/59/29/442265929.db2.gz VRBSWAYLYZSEDJ-ZDUSSCGKSA-N 0 0 346.435 1.262 10 0 EDAERN COCCn1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000176951926 442277267 /nfs/dbraw/zinc/27/72/67/442277267.db2.gz WTGHBROMPPKVON-CQSZACIVSA-N 0 0 332.408 1.731 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(F)c1 ZINC000176990716 442281210 /nfs/dbraw/zinc/28/12/10/442281210.db2.gz DBYKUWYBRVMEPV-DZGCQCFKSA-N 0 0 342.436 1.475 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000170924516 442290106 /nfs/dbraw/zinc/29/01/06/442290106.db2.gz OIWNRWYGTBCFRZ-KRWDZBQOSA-N 0 0 333.407 1.955 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@H](C)C(=O)N[C@H](C)CC)CC2)n1 ZINC000170943533 442292808 /nfs/dbraw/zinc/29/28/08/442292808.db2.gz XARIEACLESLXRT-UKRRQHHQSA-N 0 0 349.479 1.609 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC000176778564 442256912 /nfs/dbraw/zinc/25/69/12/442256912.db2.gz QKHYHANMDQWABQ-STQMWFEESA-N 0 0 327.450 1.290 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2ccc(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000177256715 442321208 /nfs/dbraw/zinc/32/12/08/442321208.db2.gz QQJPBSUDUCDINI-LRDDRELGSA-N 0 0 339.386 1.556 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)Cn2ccnc2C)C1 ZINC000171215804 442329312 /nfs/dbraw/zinc/32/93/12/442329312.db2.gz VTXJVILLCZMMJF-ZBFHGGJFSA-N 0 0 349.479 1.918 10 0 EDAERN COc1ccc2c(c1)CN(C(=O)N[C@H]1CCCn3ncnc31)CC2 ZINC000177343697 442330131 /nfs/dbraw/zinc/33/01/31/442330131.db2.gz MCAWFSYAQCNEJP-HNNXBMFYSA-N 0 0 327.388 1.890 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CCCNC(=O)C3CC3)C2)no1 ZINC000171335598 442341668 /nfs/dbraw/zinc/34/16/68/442341668.db2.gz VRQMVULUFDEMTK-CYBMUJFWSA-N 0 0 334.420 1.466 10 0 EDAERN CCO[C@@H](CCNC(=O)NC[C@@H]1CN(C)CCO1)C1CCCC1 ZINC000177486297 442348627 /nfs/dbraw/zinc/34/86/27/442348627.db2.gz GRULIWADKQHOJS-CVEARBPZSA-N 0 0 327.469 1.602 10 0 EDAERN CCO[C@@H](CCNC(=O)NC[C@H]1CN(C)CCO1)C1CCCC1 ZINC000177486330 442348915 /nfs/dbraw/zinc/34/89/15/442348915.db2.gz GRULIWADKQHOJS-HOTGVXAUSA-N 0 0 327.469 1.602 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000177511602 442351391 /nfs/dbraw/zinc/35/13/91/442351391.db2.gz XRUWRIWBPIZKOA-OAHLLOKOSA-N 0 0 338.496 1.761 10 0 EDAERN NC(=O)c1cccc(CCNC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000171072428 442306674 /nfs/dbraw/zinc/30/66/74/442306674.db2.gz DPARZTRILATPBL-OAHLLOKOSA-N 0 0 325.368 1.761 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCS(=O)(=O)CC(C)C ZINC000177173654 442309310 /nfs/dbraw/zinc/30/93/10/442309310.db2.gz DETZKSYJJNAOLG-HNNXBMFYSA-N 0 0 341.477 1.643 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C)c1)CC2 ZINC000177638944 442365441 /nfs/dbraw/zinc/36/54/41/442365441.db2.gz ZBLUQASQGDAQFW-CYBMUJFWSA-N 0 0 327.388 1.219 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2)C1 ZINC000177662904 442368085 /nfs/dbraw/zinc/36/80/85/442368085.db2.gz GITPOZFLNNHQIJ-AWEZNQCLSA-N 0 0 327.388 1.643 10 0 EDAERN COC(=O)c1ccccc1NC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000172052655 442404682 /nfs/dbraw/zinc/40/46/82/442404682.db2.gz QTHZBAAVPLKHIQ-ZDUSSCGKSA-N 0 0 342.399 1.635 10 0 EDAERN Cc1cccc2c1ncnc2N1CCN(c2ccc3nncn3n2)CC1 ZINC000177929515 442396194 /nfs/dbraw/zinc/39/61/94/442396194.db2.gz PWWBQMJNQLLATL-UHFFFAOYSA-N 0 0 346.398 1.703 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000155432554 442398146 /nfs/dbraw/zinc/39/81/46/442398146.db2.gz HXFXZXTZQNNVLS-INIZCTEOSA-N 0 0 336.407 1.907 10 0 EDAERN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177559987 442357194 /nfs/dbraw/zinc/35/71/94/442357194.db2.gz OHRRRJRSCRUCCH-VXGBXAGGSA-N 0 0 337.424 1.732 10 0 EDAERN COc1ccccc1CCC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000155506810 442403619 /nfs/dbraw/zinc/40/36/19/442403619.db2.gz QUQQDYSBJHVJIE-CQSZACIVSA-N 0 0 331.372 1.919 10 0 EDAERN Cc1csc(NC(=O)C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)n1 ZINC000177592379 442360255 /nfs/dbraw/zinc/36/02/55/442360255.db2.gz OLGXLHYLPFUHOF-NSHDSACASA-N 0 0 349.416 1.563 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCCN1CCCC1=O ZINC000172063634 442405654 /nfs/dbraw/zinc/40/56/54/442405654.db2.gz WMVKJVKPZGPDQG-HNNXBMFYSA-N 0 0 347.463 1.896 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCc3cccc(C(N)=O)c3)C2)cn1 ZINC000172120322 442411015 /nfs/dbraw/zinc/41/10/15/442411015.db2.gz XSOOKQAJUYAIFV-OAHLLOKOSA-N 0 0 341.415 1.261 10 0 EDAERN C[C@H](NC(=O)N[C@@H](CO)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000178195364 442414343 /nfs/dbraw/zinc/41/43/43/442414343.db2.gz ILMQFOAETCPJTF-DZGCQCFKSA-N 0 0 343.431 1.578 10 0 EDAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000155836383 442431601 /nfs/dbraw/zinc/43/16/01/442431601.db2.gz LYKCSNKBFFLDRP-TZMCWYRMSA-N 0 0 346.431 1.088 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCOc1cccc(Cl)c1)C(C)C ZINC000178442572 442434147 /nfs/dbraw/zinc/43/41/47/442434147.db2.gz RRZGCLJSBCMPTC-CYBMUJFWSA-N 0 0 327.812 1.789 10 0 EDAERN CC(=O)Nc1nc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cs1 ZINC000134018744 442446090 /nfs/dbraw/zinc/44/60/90/442446090.db2.gz MKJQBDJSYKGIEN-JTQLQIEISA-N 0 0 348.432 1.561 10 0 EDAERN CCCc1cc(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)n(C)n1 ZINC000179659870 442485747 /nfs/dbraw/zinc/48/57/47/442485747.db2.gz ABFPHBCNIMHFES-LBPRGKRZSA-N 0 0 333.396 1.405 10 0 EDAERN C[C@H](C(=O)N1CCC[C@@H]1C(=O)N(C)C)N1CCc2ccccc2C1 ZINC000134531962 442491081 /nfs/dbraw/zinc/49/10/81/442491081.db2.gz MJAUGXOJXDBYQF-RHSMWYFYSA-N 0 0 329.444 1.512 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000186318400 442510219 /nfs/dbraw/zinc/51/02/19/442510219.db2.gz YKYVEDFNOZNNJC-UHFFFAOYSA-N 0 0 332.187 1.163 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000178813807 442492270 /nfs/dbraw/zinc/49/22/70/442492270.db2.gz YOFQMVDALDLGNL-CQSZACIVSA-N 0 0 348.428 1.897 10 0 EDAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000172571979 442494975 /nfs/dbraw/zinc/49/49/75/442494975.db2.gz BTIBYBWPOVQETP-HNNXBMFYSA-N 0 0 348.428 1.566 10 0 EDAERN C[C@@H](CCCc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000179757931 442498219 /nfs/dbraw/zinc/49/82/19/442498219.db2.gz JZBSQRGGELUITO-WMZOPIPTSA-N 0 0 334.460 1.455 10 0 EDAERN CC(C)[C@H](O)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172597426 442499324 /nfs/dbraw/zinc/49/93/24/442499324.db2.gz WOMJGBPJBBGOIL-SMDDNHRTSA-N 0 0 328.434 1.467 10 0 EDAERN C[C@@H](NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H](C)CO ZINC000172597482 442500019 /nfs/dbraw/zinc/50/00/19/442500019.db2.gz GMLVWAZWNHMVMJ-UTUOFQBUSA-N 0 0 328.434 1.467 10 0 EDAERN O=C(Nc1ccccc1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186301192 442507313 /nfs/dbraw/zinc/50/73/13/442507313.db2.gz YDUHZQXZMYXAJO-ZFWWWQNUSA-N 0 0 330.409 1.921 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000134408665 442479428 /nfs/dbraw/zinc/47/94/28/442479428.db2.gz QXSNMYJECSWOKA-NWDGAFQWSA-N 0 0 337.424 1.564 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000191645581 442482469 /nfs/dbraw/zinc/48/24/69/442482469.db2.gz UEFVVSXJNYKVCR-GHMZBOCLSA-N 0 0 326.343 1.626 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@](C)(O)c1cccs1 ZINC000156453125 442482927 /nfs/dbraw/zinc/48/29/27/442482927.db2.gz MSLTZBCMHLPHCK-ABAIWWIYSA-N 0 0 328.434 1.843 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000191912669 442538711 /nfs/dbraw/zinc/53/87/11/442538711.db2.gz DLUQMLVBDKMQCM-UHFFFAOYSA-N 0 0 336.436 1.217 10 0 EDAERN CCc1nc(CN2CCC(N(C)CC(=O)OC(C)(C)C)CC2)no1 ZINC000191982805 442553967 /nfs/dbraw/zinc/55/39/67/442553967.db2.gz NIBWCHUWPBXQTQ-UHFFFAOYSA-N 0 0 338.452 1.870 10 0 EDAERN O=C(NCCn1ccnc1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179924492 442520490 /nfs/dbraw/zinc/52/04/90/442520490.db2.gz ZZRJIPUICIWISE-CQSZACIVSA-N 0 0 343.435 1.748 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@@H](N3CCOCC3)C1)C2 ZINC000172746676 442531147 /nfs/dbraw/zinc/53/11/47/442531147.db2.gz ZFFNDWVFFJDBTL-HZPDHXFCSA-N 0 0 346.427 1.179 10 0 EDAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CCN2CCCC[C@@H]2C1 ZINC000186426793 442532464 /nfs/dbraw/zinc/53/24/64/442532464.db2.gz VJOREPDMCHXKSS-LLVKDONJSA-N 0 0 334.392 1.007 10 0 EDAERN O=C(C[C@H]1C(=O)Nc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172749799 442532783 /nfs/dbraw/zinc/53/27/83/442532783.db2.gz KGTCYUKAYDSGRP-DZGCQCFKSA-N 0 0 329.400 1.046 10 0 EDAERN COCCN1CCN(C(=O)c2ncccc2C(F)(F)F)C[C@@H]1C ZINC000180272238 442570988 /nfs/dbraw/zinc/57/09/88/442570988.db2.gz YCZKNUGPCZXXMW-NSHDSACASA-N 0 0 331.338 1.893 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1n[nH]c2c1CCCC2 ZINC000135286929 442576429 /nfs/dbraw/zinc/57/64/29/442576429.db2.gz PYMMCRUVXVRQRR-GFCCVEGCSA-N 0 0 326.404 1.477 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)CNC(=O)c1ccccn1 ZINC000172977767 442576631 /nfs/dbraw/zinc/57/66/31/442576631.db2.gz HTVXKJSTOTUJEF-CQSZACIVSA-N 0 0 327.384 1.533 10 0 EDAERN COc1ccccc1OCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135320999 442580286 /nfs/dbraw/zinc/58/02/86/442580286.db2.gz YHWMEJVBUHLLBA-GFCCVEGCSA-N 0 0 330.388 1.879 10 0 EDAERN Cc1ccc([C@]2(C)NC(=O)N(Cc3nnnn3C(C)C)C2=O)c(C)c1 ZINC000135330024 442581420 /nfs/dbraw/zinc/58/14/20/442581420.db2.gz CQFKFFQARMKXLX-KRWDZBQOSA-N 0 0 342.403 1.838 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3ccc(C)c(O)c3)CCO2)n1 ZINC000180335498 442582761 /nfs/dbraw/zinc/58/27/61/442582761.db2.gz RVLYZPCFOXOGGN-QGZVFWFLSA-N 0 0 343.427 1.984 10 0 EDAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N(Cc1ccccc1)c1ccccc1 ZINC000179170592 442589113 /nfs/dbraw/zinc/58/91/13/442589113.db2.gz LOQYZZQRXDAHBO-RTBURBONSA-N 0 0 340.423 1.647 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000186686128 442591530 /nfs/dbraw/zinc/59/15/30/442591530.db2.gz LFHWLQCRMCZQQV-OAHLLOKOSA-N 0 0 341.496 1.750 10 0 EDAERN C[C@H](CNC(=O)N(C)[C@H]1CCCc2c1cnn2C)N1CCOCC1 ZINC000157558936 442592805 /nfs/dbraw/zinc/59/28/05/442592805.db2.gz HRGWZKXHIQHTQR-HIFRSBDPSA-N 0 0 335.452 1.160 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000135417553 442593478 /nfs/dbraw/zinc/59/34/78/442593478.db2.gz KGDBQNNPUOYSCR-QWHCGFSZSA-N 0 0 328.420 1.847 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000186692989 442593601 /nfs/dbraw/zinc/59/36/01/442593601.db2.gz DSSOZQWHMVBKGM-ZDUSSCGKSA-N 0 0 334.445 1.667 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cccc(Oc3cnccn3)c2)C1 ZINC000135422289 442594271 /nfs/dbraw/zinc/59/42/71/442594271.db2.gz IDSJOMWYROZCMB-HNNXBMFYSA-N 0 0 328.372 1.329 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Cl)nc3C)CCO2)[nH]1 ZINC000157594468 442596310 /nfs/dbraw/zinc/59/63/10/442596310.db2.gz QHUXMDUQYGHIPW-LLVKDONJSA-N 0 0 335.795 1.938 10 0 EDAERN COCCN1CCN(C(=O)c2cc(-n3cccn3)ccn2)C[C@H]1C ZINC000135462242 442599480 /nfs/dbraw/zinc/59/94/80/442599480.db2.gz YDMFSAUSWWBCCO-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186758502 442607004 /nfs/dbraw/zinc/60/70/04/442607004.db2.gz WWSVWHUUMUMLJT-QMMMGPOBSA-N 0 0 341.339 1.498 10 0 EDAERN C[C@H](CNC(=O)N(C)CCOCc1ccccc1)N1CCOCC1 ZINC000157222481 442562494 /nfs/dbraw/zinc/56/24/94/442562494.db2.gz XTRSXPOVOAAZHV-MRXNPFEDSA-N 0 0 335.448 1.565 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccccc3F)CCO2)[nH]1 ZINC000180240983 442564667 /nfs/dbraw/zinc/56/46/67/442564667.db2.gz HEDVHBRFDRAXAS-GFCCVEGCSA-N 0 0 347.350 1.045 10 0 EDAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000179425579 442645539 /nfs/dbraw/zinc/64/55/39/442645539.db2.gz NEDYOVBSLNPYHK-ZIAGYGMSSA-N 0 0 333.436 1.234 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)c1 ZINC000180691060 442648366 /nfs/dbraw/zinc/64/83/66/442648366.db2.gz NTDOBHJYFOYXCZ-GNHJJJEISA-N 0 0 336.436 1.813 10 0 EDAERN Cc1cc(F)ccc1-n1cc(C(=O)NC[C@H](C)N2CCOCC2)nn1 ZINC000179314618 442619609 /nfs/dbraw/zinc/61/96/09/442619609.db2.gz ZDZHYARQDUAVCN-ZDUSSCGKSA-N 0 0 347.394 1.165 10 0 EDAERN CCc1cc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)ccc1C ZINC000180615305 442634790 /nfs/dbraw/zinc/63/47/90/442634790.db2.gz XROTUTLUIBVPEV-CQSZACIVSA-N 0 0 327.388 1.219 10 0 EDAERN Cc1cc(=O)[nH]c([C@H](C)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000192721058 442680169 /nfs/dbraw/zinc/68/01/69/442680169.db2.gz MFFAKSGMKMLSFU-QWRGUYRKSA-N 0 0 336.417 1.550 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000188065891 442707086 /nfs/dbraw/zinc/70/70/86/442707086.db2.gz WUIGSFFBWLHPSQ-GFCCVEGCSA-N 0 0 325.368 1.596 10 0 EDAERN C[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc(S(N)(=O)=O)cc1 ZINC000192796398 442687039 /nfs/dbraw/zinc/68/70/39/442687039.db2.gz ZIQBJUZWGCRPDJ-SECBINFHSA-N 0 0 335.385 1.690 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(=O)[nH]c(C(C)C)c3)CCO2)[nH]1 ZINC000181471205 442699105 /nfs/dbraw/zinc/69/91/05/442699105.db2.gz NQMWTMSGEZABSD-ZDUSSCGKSA-N 0 0 331.376 1.551 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](C)Cn1cccn1)CC2 ZINC000181505722 442700583 /nfs/dbraw/zinc/70/05/83/442700583.db2.gz OSUZQEJLDKCIBU-KBPBESRZSA-N 0 0 345.451 1.548 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000192973807 442702655 /nfs/dbraw/zinc/70/26/55/442702655.db2.gz KGRDGVIEQKWBRM-UHFFFAOYSA-N 0 0 333.417 1.282 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000188051560 442705773 /nfs/dbraw/zinc/70/57/73/442705773.db2.gz FMNXSVUENUGXQQ-OAHLLOKOSA-N 0 0 327.384 1.765 10 0 EDAERN CCc1nc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)sc1C ZINC000193128696 442715911 /nfs/dbraw/zinc/71/59/11/442715911.db2.gz QHAYXXHSRQCCPZ-NSHDSACASA-N 0 0 348.432 1.504 10 0 EDAERN COCC(=O)NC1CN(C(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC000188420943 442748697 /nfs/dbraw/zinc/74/86/97/442748697.db2.gz GGCJJHMEKVDBKF-MRXNPFEDSA-N 0 0 333.432 1.583 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(C)cc(C)n1 ZINC000193528699 442751337 /nfs/dbraw/zinc/75/13/37/442751337.db2.gz AKXKXWQQRVVSIO-LBPRGKRZSA-N 0 0 342.403 1.442 10 0 EDAERN Cc1nn(-c2ccccc2)cc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188486904 442755633 /nfs/dbraw/zinc/75/56/33/442755633.db2.gz GTKFGWQWDGZNLW-UHFFFAOYSA-N 0 0 338.411 1.921 10 0 EDAERN CCOc1ccnc(N2CCN(CCO[C@@H]3CCCCO3)CC2)n1 ZINC000181690818 442710169 /nfs/dbraw/zinc/71/01/69/442710169.db2.gz IHQIRAKVSVPBHR-MRXNPFEDSA-N 0 0 336.436 1.541 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](O)C1CCCCC1)CC2 ZINC000181754906 442714721 /nfs/dbraw/zinc/71/47/21/442714721.db2.gz ANIYSWGWAVCFBU-GJZGRUSLSA-N 0 0 349.479 1.957 10 0 EDAERN CCCn1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000182615530 442795527 /nfs/dbraw/zinc/79/55/27/442795527.db2.gz HYJXQSWCGRVRIZ-NSHDSACASA-N 0 0 336.417 1.432 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000182425555 442766014 /nfs/dbraw/zinc/76/60/14/442766014.db2.gz XIQSZLMIKKWXQG-LBPRGKRZSA-N 0 0 347.806 1.860 10 0 EDAERN COC(=O)[C@@H](c1cccnc1)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246365810 442776619 /nfs/dbraw/zinc/77/66/19/442776619.db2.gz GZSLCYRSSZKBQN-DOTOQJQBSA-N 0 0 341.415 1.687 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000193761972 442781695 /nfs/dbraw/zinc/78/16/95/442781695.db2.gz UTDFLOVPWJDPTK-UHFFFAOYSA-N 0 0 332.809 1.550 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(F)ccc1Br ZINC000188862869 442830845 /nfs/dbraw/zinc/83/08/45/442830845.db2.gz NVZJBEKQCYZYRI-MRVPVSSYSA-N 0 0 329.169 1.939 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)COc1ccccc1Br ZINC000188867420 442831337 /nfs/dbraw/zinc/83/13/37/442831337.db2.gz WKIOSRVNJYVBSC-JTQLQIEISA-N 0 0 341.205 1.565 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1)C1CCC1 ZINC000188908340 442840735 /nfs/dbraw/zinc/84/07/35/442840735.db2.gz PTAZTGYTDGMCAF-XHSDSOJGSA-N 0 0 347.459 1.644 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)cn1 ZINC000194305534 442874937 /nfs/dbraw/zinc/87/49/37/442874937.db2.gz MOLZZBQIYOKCLL-UHFFFAOYSA-N 0 0 331.420 1.575 10 0 EDAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)cn1 ZINC000189221768 442900383 /nfs/dbraw/zinc/90/03/83/442900383.db2.gz ZWMMWRPPIPVMSV-HNNXBMFYSA-N 0 0 336.417 1.247 10 0 EDAERN CCOc1cc(/C=C/C(=O)N2CC(NC(=O)C3CCC3)C2)ccc1O ZINC000189222853 442900422 /nfs/dbraw/zinc/90/04/22/442900422.db2.gz MVSSZQLTUNSKRT-VQHVLOKHSA-N 0 0 344.411 1.931 10 0 EDAERN CO[C@@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1cccc(Cl)c1 ZINC000189153367 442887688 /nfs/dbraw/zinc/88/76/88/442887688.db2.gz UQSNFYYLZAWCHL-KFWWJZLASA-N 0 0 340.807 1.125 10 0 EDAERN C[C@H](NC(=O)CCN1CCCS1(=O)=O)c1cccc(Cl)c1 ZINC000194444325 442896974 /nfs/dbraw/zinc/89/69/74/442896974.db2.gz PUHAETKNWZUYBC-NSHDSACASA-N 0 0 330.837 1.943 10 0 EDAERN C[C@@H]1C[C@@H](C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000248582782 442902282 /nfs/dbraw/zinc/90/22/82/442902282.db2.gz QJOHFQYGLXJONO-MGPQQGTHSA-N 0 0 330.494 1.847 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](C)c2ncc(C)s2)C[C@H]1C ZINC000183205450 442902651 /nfs/dbraw/zinc/90/26/51/442902651.db2.gz JSGBKLKUURDYKF-CHWSQXEVSA-N 0 0 340.493 1.917 10 0 EDAERN Cc1ccn(CC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c(=O)c1 ZINC000194513920 442909620 /nfs/dbraw/zinc/90/96/20/442909620.db2.gz IFRRLHJOBYUELU-CYBMUJFWSA-N 0 0 337.420 1.576 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cnsn3)C[C@H]12 ZINC000183277219 442915265 /nfs/dbraw/zinc/91/52/65/442915265.db2.gz TVXVSYZNMSZBPC-OUAUKWLOSA-N 0 0 338.433 1.913 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@H](O)COCc2ccccc2)C1 ZINC000189338494 442924441 /nfs/dbraw/zinc/92/44/41/442924441.db2.gz JVHFDWSUUVNBRA-YESZJQIVSA-N 0 0 347.415 1.718 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[C@@H]1CCCCO1 ZINC000183372120 442925974 /nfs/dbraw/zinc/92/59/74/442925974.db2.gz UWKVUSSQLUGQNL-GJZGRUSLSA-N 0 0 346.493 1.656 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)[C@@H]3CCOC[C@H]3C)CC2)cn1 ZINC000248835922 442927861 /nfs/dbraw/zinc/92/78/61/442927861.db2.gz OCWFOSOLIHDHLV-NVXWUHKLSA-N 0 0 334.464 1.610 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(=O)[nH]c(C4CC4)c3)CCO2)c1 ZINC000184494590 318535159 /nfs/dbraw/zinc/53/51/59/318535159.db2.gz GNRYQQIQSOUSSO-OAHLLOKOSA-N 0 0 342.399 1.298 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(Br)c(O)c2)C1)C1CC1 ZINC000189382779 442935460 /nfs/dbraw/zinc/93/54/60/442935460.db2.gz ORNZOHZIRPWLQE-UHFFFAOYSA-N 0 0 339.189 1.505 10 0 EDAERN CCc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cnn1-c1ccccn1 ZINC000189394923 442939732 /nfs/dbraw/zinc/93/97/32/442939732.db2.gz IKCZIWPIDGNEOF-UHFFFAOYSA-N 0 0 339.399 1.180 10 0 EDAERN Cc1ccn(CC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(=O)c1 ZINC000194732175 442944728 /nfs/dbraw/zinc/94/47/28/442944728.db2.gz LEMXAYHKFDXACO-HNNXBMFYSA-N 0 0 341.415 1.074 10 0 EDAERN O=C(NC1CN(C(=O)c2ccn(-c3c(F)cccc3F)n2)C1)C1CC1 ZINC000189442907 442955132 /nfs/dbraw/zinc/95/51/32/442955132.db2.gz SYSYSUWGHOEEOO-UHFFFAOYSA-N 0 0 346.337 1.501 10 0 EDAERN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CNC(=O)C3)c2)n1 ZINC000194808154 442956254 /nfs/dbraw/zinc/95/62/54/442956254.db2.gz BQACAGYNZIAVBE-NSHDSACASA-N 0 0 326.356 1.074 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000189452275 442957322 /nfs/dbraw/zinc/95/73/22/442957322.db2.gz JXZXPKREKHVHCF-MRXNPFEDSA-N 0 0 333.432 1.157 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000189454344 442958074 /nfs/dbraw/zinc/95/80/74/442958074.db2.gz YCPQEEXKMYYPKH-KRWDZBQOSA-N 0 0 347.459 1.664 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000183747395 442959525 /nfs/dbraw/zinc/95/95/25/442959525.db2.gz LIKPJVJMPDJZHH-LBPRGKRZSA-N 0 0 345.327 1.418 10 0 EDAERN COCCO[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000249270782 442962527 /nfs/dbraw/zinc/96/25/27/442962527.db2.gz JFTBZYPCCWDYKF-GJZGRUSLSA-N 0 0 336.436 1.070 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)c1ccccc1OC)CC2 ZINC000183882120 442972685 /nfs/dbraw/zinc/97/26/85/442972685.db2.gz AXKHADBUJMJAOM-LLVKDONJSA-N 0 0 328.372 1.163 10 0 EDAERN C[C@@H](CNC(=O)c1cc(Br)cs1)N1CCOCC1 ZINC000195019654 442976312 /nfs/dbraw/zinc/97/63/12/442976312.db2.gz IYBSERABGZEJCS-VIFPVBQESA-N 0 0 333.251 1.961 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000198560030 443042557 /nfs/dbraw/zinc/04/25/57/443042557.db2.gz BXUUOQZYNKJJIN-STQMWFEESA-N 0 0 328.434 1.969 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000184866430 443088333 /nfs/dbraw/zinc/08/83/33/443088333.db2.gz AERORWVLKCNASY-NSHDSACASA-N 0 0 331.869 2.000 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCOc2cccc(F)c2)CC1 ZINC000184874484 443089926 /nfs/dbraw/zinc/08/99/26/443089926.db2.gz ZEROIDRHMXUKBL-HNNXBMFYSA-N 0 0 339.411 1.303 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000184881048 443090897 /nfs/dbraw/zinc/09/08/97/443090897.db2.gz KIKHRTZWYPNXFT-IJLUTSLNSA-N 0 0 328.334 1.654 10 0 EDAERN Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)c(C)c1 ZINC000224215253 443097187 /nfs/dbraw/zinc/09/71/87/443097187.db2.gz HKPBRDGXCQNHOD-UHFFFAOYSA-N 0 0 326.400 1.860 10 0 EDAERN Cc1noc([C@H]2COCCN2C[C@@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000184644633 443053765 /nfs/dbraw/zinc/05/37/65/443053765.db2.gz UAZBTENZOIYROM-HUUCEWRRSA-N 0 0 344.371 1.777 10 0 EDAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ncc(C(N)=O)cc2Cl)C1 ZINC000190086125 443054909 /nfs/dbraw/zinc/05/49/09/443054909.db2.gz UJAACNMCZGVCDD-MWLCHTKSSA-N 0 0 337.767 1.492 10 0 EDAERN Ic1ccn(-c2cnnc(OC3COC3)c2)n1 ZINC000217706946 443057311 /nfs/dbraw/zinc/05/73/11/443057311.db2.gz QDRTWSBGQOSQHC-UHFFFAOYSA-N 0 0 344.112 1.045 10 0 EDAERN CO[C@@H](CNC(=O)N1CC(NC(C)=O)C1)c1cccc(Cl)c1 ZINC000190227901 443073688 /nfs/dbraw/zinc/07/36/88/443073688.db2.gz AJIABGJXEAZSAY-AWEZNQCLSA-N 0 0 325.796 1.557 10 0 EDAERN COC(=O)[C@@H]1C[C@H](O)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000222470365 443078761 /nfs/dbraw/zinc/07/87/61/443078761.db2.gz ZBZQGLVQLFGDQW-IRXDYDNUSA-N 0 0 339.391 1.953 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2nc(C)cs2)CC1 ZINC000185080495 443131858 /nfs/dbraw/zinc/13/18/58/443131858.db2.gz GKGRDRWSFRFTHB-STQMWFEESA-N 0 0 326.466 1.611 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)CNC(=O)c2ccccc2)C12CCOCC2 ZINC000185085679 443133880 /nfs/dbraw/zinc/13/38/80/443133880.db2.gz MMZGATRJNRKYJH-HOTGVXAUSA-N 0 0 346.427 1.507 10 0 EDAERN COCCC(C)(C)CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000185136958 443145628 /nfs/dbraw/zinc/14/56/28/443145628.db2.gz VMERQXLPBNQUSW-LBPRGKRZSA-N 0 0 325.413 1.259 10 0 EDAERN Cc1noc([C@H]2CC(F)(F)CN2C(=O)c2c(C)nn(C)c2C)n1 ZINC000257176507 443116907 /nfs/dbraw/zinc/11/69/07/443116907.db2.gz ALDDEMONBKOMCT-SNVBAGLBSA-N 0 0 325.319 1.951 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H](C)c2ccc(Br)cc2)C1 ZINC000190479826 443117061 /nfs/dbraw/zinc/11/70/61/443117061.db2.gz FVYZNZIDYHVOMJ-VIFPVBQESA-N 0 0 325.206 1.900 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C1 ZINC000190490180 443119082 /nfs/dbraw/zinc/11/90/82/443119082.db2.gz JCAPRQFKTOYRGS-CQSZACIVSA-N 0 0 329.400 1.003 10 0 EDAERN COC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCOCC1 ZINC000226276452 443121117 /nfs/dbraw/zinc/12/11/17/443121117.db2.gz JSMVHNZRMPDAJC-UHFFFAOYSA-N 0 0 346.305 1.835 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)NCc2ccccc2F)n1 ZINC000185064912 443128220 /nfs/dbraw/zinc/12/82/20/443128220.db2.gz RPVYYLMMKBCARV-AWEZNQCLSA-N 0 0 334.351 1.207 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000185226642 443164664 /nfs/dbraw/zinc/16/46/64/443164664.db2.gz POEJYGJAUZUCHH-UHFFFAOYSA-N 0 0 347.198 1.346 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(Cl)ccc2OC(C)C)C1 ZINC000185263554 443172444 /nfs/dbraw/zinc/17/24/44/443172444.db2.gz NUZNQTBHCHIJKR-UHFFFAOYSA-N 0 0 340.807 1.714 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC000190732981 443172962 /nfs/dbraw/zinc/17/29/62/443172962.db2.gz ICFNRRWWSYLAQO-FZKQIMNGSA-N 0 0 332.400 1.749 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)C1 ZINC000185273583 443174285 /nfs/dbraw/zinc/17/42/85/443174285.db2.gz LJTJMMFVGOUYJB-AWEZNQCLSA-N 0 0 348.443 1.859 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)cn1 ZINC000190784093 443183191 /nfs/dbraw/zinc/18/31/91/443183191.db2.gz YTCASUVSFNIOSW-INIZCTEOSA-N 0 0 332.448 1.581 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000190823107 443189203 /nfs/dbraw/zinc/18/92/03/443189203.db2.gz XDXRPUJVQYRPAO-UHFFFAOYSA-N 0 0 334.269 1.432 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC2(Cc3cccc(F)c3)CCC2)C1 ZINC000185376936 443191467 /nfs/dbraw/zinc/19/14/67/443191467.db2.gz YXLIUJIJURMKRH-MRXNPFEDSA-N 0 0 335.423 1.921 10 0 EDAERN C/C=C/C[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000185481881 443207324 /nfs/dbraw/zinc/20/73/24/443207324.db2.gz KOLISNDHSREYLY-JKWAOEONSA-N 0 0 348.451 1.113 10 0 EDAERN CC[C@@H](CNC(=O)N1CCCNC(=O)[C@H]1C)Oc1ccccc1F ZINC000191439309 443294645 /nfs/dbraw/zinc/29/46/45/443294645.db2.gz DZGCFESZCPWLPJ-OLZOCXBDSA-N 0 0 337.395 1.903 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)C1 ZINC000191486748 443301373 /nfs/dbraw/zinc/30/13/73/443301373.db2.gz JUHPBIMSCWUOJW-KRWDZBQOSA-N 0 0 343.427 1.510 10 0 EDAERN COc1ccc(C)cc1-n1ccc(C(=O)N2CC(NC(C)=O)C2)n1 ZINC000191486528 443301590 /nfs/dbraw/zinc/30/15/90/443301590.db2.gz PBCFKVOSQGDJRE-UHFFFAOYSA-N 0 0 328.372 1.150 10 0 EDAERN CCn1c2ccccc2nc1SCC(=O)N1CC(NC(C)=O)C1 ZINC000191493351 443302185 /nfs/dbraw/zinc/30/21/85/443302185.db2.gz LRTWGYAZPGUXKS-UHFFFAOYSA-N 0 0 332.429 1.495 10 0 EDAERN COCCn1cc(C[C@@H]2NC(=O)N(CC3CCCCCC3)C2=O)nn1 ZINC000328608810 444391973 /nfs/dbraw/zinc/39/19/73/444391973.db2.gz BIHPIJLUCOTXAI-HNNXBMFYSA-N 0 0 349.435 1.562 10 0 EDAERN Cc1nc(S(=O)(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)c[nH]1 ZINC000328613171 444394066 /nfs/dbraw/zinc/39/40/66/444394066.db2.gz QYOICSZVUBFYMD-VXGBXAGGSA-N 0 0 327.431 1.176 10 0 EDAERN CN1CCOc2ccc(NC(=O)N3CCOC[C@H]3c3nc[nH]n3)cc21 ZINC000375503272 446853752 /nfs/dbraw/zinc/85/37/52/446853752.db2.gz RKMQAVOYGQKDDU-ZDUSSCGKSA-N 0 0 344.375 1.239 10 0 EDAERN COC(=O)Cc1cc(N)c([N+](=O)[O-])cc1I ZINC000575640344 447878771 /nfs/dbraw/zinc/87/87/71/447878771.db2.gz MCXAYFHUIHSEGY-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CCOC(=O)Cc1ccc(N)c(OC)c1I ZINC000575726057 447883378 /nfs/dbraw/zinc/88/33/78/447883378.db2.gz YGWGSEGVUBVBKQ-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000583615136 448440382 /nfs/dbraw/zinc/44/03/82/448440382.db2.gz HDQGWPLLRGBBEE-WCBMZHEXSA-N 0 0 348.325 1.753 10 0 EDAERN Cc1nc(C)c(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)nc1C ZINC000583618205 448446348 /nfs/dbraw/zinc/44/63/48/448446348.db2.gz ODVXKWROTVPMGD-KRWDZBQOSA-N 0 0 344.419 1.308 10 0 EDAERN CC(=O)N1C[C@@H](NC(=O)CCc2cnn(C)c2)CC[C@@H]1C(F)(F)F ZINC000583618400 448447034 /nfs/dbraw/zinc/44/70/34/448447034.db2.gz TWSVSYVKKXGISI-QWHCGFSZSA-N 0 0 346.353 1.411 10 0 EDAERN Cc1c(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)cnn1C(C)C ZINC000583618790 448448605 /nfs/dbraw/zinc/44/86/05/448448605.db2.gz LCZVQIASMTZRCK-QGZVFWFLSA-N 0 0 346.435 1.679 10 0 EDAERN Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618936 448448859 /nfs/dbraw/zinc/44/88/59/448448859.db2.gz JUPXRWSWXBPBBE-QGZVFWFLSA-N 0 0 325.372 1.718 10 0 EDAERN CC(=O)N1C[C@@H](NC(=O)c2ncccc2O)CC[C@H]1C(F)(F)F ZINC000583619988 448450974 /nfs/dbraw/zinc/45/09/74/448450974.db2.gz FOLVEUGTFKXPOX-ONGXEEELSA-N 0 0 331.294 1.459 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1=O ZINC000583621345 448451981 /nfs/dbraw/zinc/45/19/81/448451981.db2.gz UASFATIIIXKISK-HOTGVXAUSA-N 0 0 330.359 1.630 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CCO1 ZINC000583622874 448453152 /nfs/dbraw/zinc/45/31/52/448453152.db2.gz WHCRJSUMCWAWBK-GOEBONIOSA-N 0 0 341.415 1.721 10 0 EDAERN Nc1ncc(-c2cccc(Cl)c2Cl)nc1C(=O)NCCO ZINC000584662287 448590299 /nfs/dbraw/zinc/59/02/99/448590299.db2.gz WTEMMHBQXHKYAP-UHFFFAOYSA-N 0 0 327.171 1.755 10 0 EDAERN O=C(c1ccnc2c1CC(=O)N2)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000614403136 449596511 /nfs/dbraw/zinc/59/65/11/449596511.db2.gz MZSZXAARTIPBKY-NWANDNLSSA-N 0 0 329.400 1.732 10 0 EDAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000614454821 449621352 /nfs/dbraw/zinc/62/13/52/449621352.db2.gz JJYOGEURGZEEGP-BDAKNGLRSA-N 0 0 344.337 1.635 10 0 EDAERN CO[C@H]1C[C@@H](CO)N(C(=O)Cc2ccc(Br)cc2F)C1 ZINC000614622366 449718117 /nfs/dbraw/zinc/71/81/17/449718117.db2.gz KRRLSNPUTNGQHR-RYUDHWBXSA-N 0 0 346.196 1.739 10 0 EDAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1noc(C)n1 ZINC000613285218 450118566 /nfs/dbraw/zinc/11/85/66/450118566.db2.gz KPAZDSXLIWGYLC-TZMCWYRMSA-N 0 0 333.392 1.721 10 0 EDAERN COc1ccc(Br)c(C(=O)NC[C@H]2CC(=O)N(C)C2)c1 ZINC000619012276 450379411 /nfs/dbraw/zinc/37/94/11/450379411.db2.gz MOBXHEAWVUTNFQ-SECBINFHSA-N 0 0 341.205 1.666 10 0 EDAERN CCOC(=O)c1ccccc1[C@H]1CCCCN(S(N)(=O)=O)C1 ZINC000616631110 450456167 /nfs/dbraw/zinc/45/61/67/450456167.db2.gz RAPWJGVMXXJTRU-LBPRGKRZSA-N 0 0 326.418 1.636 10 0 EDAERN Cn1cc(O[C@@H]2CN(Cc3nccn3-c3ccccc3)C[C@H]2O)cn1 ZINC000625629186 450457888 /nfs/dbraw/zinc/45/78/88/450457888.db2.gz TVCQILWWAZTCII-IAGOWNOFSA-N 0 0 339.399 1.230 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2cccc(CCO)c2)Cc2ccccc21 ZINC000616671243 450458885 /nfs/dbraw/zinc/45/88/85/450458885.db2.gz ZVCQCFRWCUSXFF-MRXNPFEDSA-N 0 0 332.425 1.571 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616679371 450459214 /nfs/dbraw/zinc/45/92/14/450459214.db2.gz AMMMLHPSSZAXND-ZDUSSCGKSA-N 0 0 341.433 1.314 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@H]1c1cccc2ccnnc21 ZINC000616685945 450460186 /nfs/dbraw/zinc/46/01/86/450460186.db2.gz WYJPZWWMSCPJOA-HNNXBMFYSA-N 0 0 341.396 1.807 10 0 EDAERN CC(C)COc1ncccc1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616771084 450480559 /nfs/dbraw/zinc/48/05/59/450480559.db2.gz OBYORGMDKAYONZ-ILXRZTDVSA-N 0 0 330.388 1.417 10 0 EDAERN CN(C)C(=O)Nc1cccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1 ZINC000616772165 450481060 /nfs/dbraw/zinc/48/10/60/450481060.db2.gz KENZBMFCUJJFQL-ILXRZTDVSA-N 0 0 343.387 1.081 10 0 EDAERN O=C(CCCOc1ccc(F)cc1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000630017310 450957167 /nfs/dbraw/zinc/95/71/67/450957167.db2.gz VFMWOIGMLXEUMV-HUUCEWRRSA-N 0 0 334.351 1.021 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccsc1Br ZINC000633918679 451094410 /nfs/dbraw/zinc/09/44/10/451094410.db2.gz RAPPDTKFCKCXAC-VIFPVBQESA-N 0 0 333.251 1.913 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)C[C@@H](C)O2)n1 ZINC000628857639 451441902 /nfs/dbraw/zinc/44/19/02/451441902.db2.gz OXKNRVSVLCHJGN-YMTOWFKASA-N 0 0 333.392 1.259 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)CCc3c(C)noc3C)C[C@@H](C)O2)n1 ZINC000628861677 451444511 /nfs/dbraw/zinc/44/45/11/451444511.db2.gz CEGGJYOUCOYNEH-YMTOWFKASA-N 0 0 334.376 1.904 10 0 EDAERN Cn1cc(C(=O)N2CCO[C@@H](C3CCC3)C2)c(C2CCOCC2)n1 ZINC000644498622 451814341 /nfs/dbraw/zinc/81/43/41/451814341.db2.gz MVTLLPPWIIKSED-MRXNPFEDSA-N 0 0 333.432 1.955 10 0 EDAERN O=C1NCC[C@H]1NCc1ncc(Br)cc1Br ZINC000657523122 452307863 /nfs/dbraw/zinc/30/78/63/452307863.db2.gz KYDHZZGSZBOPSH-MRVPVSSYSA-N 0 0 349.026 1.585 10 0 EDAERN CCOC[C@@H]1CN(c2ncnc3n[nH]cc32)C[C@H]1c1cnn(C)c1 ZINC000664110174 452795571 /nfs/dbraw/zinc/79/55/71/452795571.db2.gz IPRHQVQGNNEVIN-JSGCOSHPSA-N 0 0 327.392 1.343 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nccc(C)c1Br ZINC000664270153 452952570 /nfs/dbraw/zinc/95/25/70/452952570.db2.gz FWDHZFYQWJLRGY-DTWKUNHWSA-N 0 0 335.223 1.376 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000186754058 486701881 /nfs/dbraw/zinc/70/18/81/486701881.db2.gz QOQBSNFXJKIPIO-UHFFFAOYSA-N 0 0 344.408 1.385 10 0 EDAERN Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)c(C)c1 ZINC000074774949 486798740 /nfs/dbraw/zinc/79/87/40/486798740.db2.gz CEMBBWJSBHCOHU-OAHLLOKOSA-N 0 0 326.462 1.563 10 0 EDAERN CCOc1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1 ZINC000074775092 486798803 /nfs/dbraw/zinc/79/88/03/486798803.db2.gz MPZAZRWIVWMGKH-AWEZNQCLSA-N 0 0 328.434 1.036 10 0 EDAERN O=C(CCCN1C(=O)c2ccccc2C1=O)NCC[C@@H]1CCCO1 ZINC000074850376 486804645 /nfs/dbraw/zinc/80/46/45/486804645.db2.gz CBCMZEKCRYLTDP-ZDUSSCGKSA-N 0 0 330.384 1.748 10 0 EDAERN CCCCN1c2ccc(N(C)S(=O)(=O)N(C)C)cc2CC1=O ZINC000584648034 485899332 /nfs/dbraw/zinc/89/93/32/485899332.db2.gz RVCBNBDOJLUOPZ-UHFFFAOYSA-N 0 0 325.434 1.618 10 0 EDAERN CCCC(=O)Nc1cccc(CNC(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC000134729404 491225835 /nfs/dbraw/zinc/22/58/35/491225835.db2.gz GUBRVCOLPWVRLP-HNNXBMFYSA-N 0 0 334.420 1.734 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000119010634 490995063 /nfs/dbraw/zinc/99/50/63/490995063.db2.gz ILVUVCFVCIMUGC-KBPBESRZSA-N 0 0 332.466 1.266 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)O1 ZINC000183797333 491004730 /nfs/dbraw/zinc/00/47/30/491004730.db2.gz HDMGIRZCFHJDGD-WFASDCNBSA-N 0 0 338.429 1.410 10 0 EDAERN Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177634502 533781498 /nfs/dbraw/zinc/78/14/98/533781498.db2.gz LTRHGJLPSOLKMP-LLVKDONJSA-N 0 0 333.779 1.310 10 0 EDAERN COC(=O)c1ccc(CN(C)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177346036 534091751 /nfs/dbraw/zinc/09/17/51/534091751.db2.gz NYGHDVAUXLRCRC-AWEZNQCLSA-N 0 0 343.387 1.741 10 0 EDAERN Cc1cc2sc(C(=O)NC[C@@H](C)[S@@](C)=O)c(N)c2c(C)n1 ZINC000166484306 534151184 /nfs/dbraw/zinc/15/11/84/534151184.db2.gz HWSJRAPPAMHWDV-ZEDNOMKYSA-N 0 0 325.459 1.992 10 0 EDAERN O=C(NCCN1C(=O)Cc2ccccc21)N[C@@H]1CCCn2ncnc21 ZINC000177341789 534322077 /nfs/dbraw/zinc/32/20/77/534322077.db2.gz GGFFIRXZLFGPCM-CYBMUJFWSA-N 0 0 340.387 1.002 10 0 EDAERN Cc1nc(Cl)c(C=O)c(N2CCSC[C@H]2S(C)(=O)=O)n1 ZINC000162365243 534423598 /nfs/dbraw/zinc/42/35/98/534423598.db2.gz DPPFEOCUIKXYSA-SECBINFHSA-N 0 0 335.838 1.175 10 0 EDAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)CCS(C)(=O)=O)[C@@H](C)C2 ZINC000180589121 534453307 /nfs/dbraw/zinc/45/33/07/534453307.db2.gz WKQLYYRXPOXQJM-SMDDNHRTSA-N 0 0 331.459 1.192 10 0 EDAERN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccnc2ccncc21 ZINC000333322315 534459036 /nfs/dbraw/zinc/45/90/36/534459036.db2.gz LKWGZUMVCMKLDI-CQSZACIVSA-N 0 0 344.440 1.938 10 0 EDAERN c1coc(-c2nnc(CN3CCCN(c4cccnn4)CC3)o2)c1 ZINC000171547436 534513380 /nfs/dbraw/zinc/51/33/80/534513380.db2.gz RCPMYMMLHNOWGA-UHFFFAOYSA-N 0 0 326.360 1.832 10 0 EDAERN [NH3+]CCOc1cccc(Nc2nc[n-]c(=O)c2Br)c1 ZINC000164280576 534638454 /nfs/dbraw/zinc/63/84/54/534638454.db2.gz YDEORQWDITUXOY-UHFFFAOYSA-N 0 0 325.166 1.614 10 0 EDAERN [NH3+]C[C@H]1CCCC[C@H]1Oc1nc[n-]c(=O)c1I ZINC000165294234 534689493 /nfs/dbraw/zinc/68/94/93/534689493.db2.gz UGMHGBWCTSZACR-HTQZYQBOSA-N 0 0 349.172 1.271 10 0 EDAERN Nc1ccc2nc(NC(=O)[C@@H]3CCCCS3(=O)=O)sc2c1 ZINC000167813964 534738907 /nfs/dbraw/zinc/73/89/07/534738907.db2.gz GJGBIZHVLNEBPC-NSHDSACASA-N 0 0 325.415 1.784 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000183594587 534743924 /nfs/dbraw/zinc/74/39/24/534743924.db2.gz GKKUHOMWXQKVRH-QGZVFWFLSA-N 0 0 328.416 1.845 10 0 EDAERN Cc1csc(CNS(=O)(=O)c2cc(C)c(F)c(CO)c2)n1 ZINC000159002422 534818233 /nfs/dbraw/zinc/81/82/33/534818233.db2.gz WAMFTCAGTZBNMU-UHFFFAOYSA-N 0 0 330.406 1.870 10 0 EDAERN Cc1nn(CC(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)c1Cl ZINC000172743633 534854040 /nfs/dbraw/zinc/85/40/40/534854040.db2.gz XHDNVIZKRPGVTP-CYBMUJFWSA-N 0 0 326.828 1.086 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1C ZINC000131968302 527294979 /nfs/dbraw/zinc/29/49/79/527294979.db2.gz PPRMPVNIIKSHIE-CJNGLKHVSA-N 0 0 332.400 1.803 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173983155 527398309 /nfs/dbraw/zinc/39/83/09/527398309.db2.gz AUQPQDQLPMZEBP-OAHLLOKOSA-N 0 0 331.416 1.234 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC(Cn2ccnn2)CC1)C(C)C ZINC000154543478 527666912 /nfs/dbraw/zinc/66/69/12/527666912.db2.gz ZRTHRXPQWCDFRM-KRWDZBQOSA-N 0 0 349.479 1.704 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000184369595 527951477 /nfs/dbraw/zinc/95/14/77/527951477.db2.gz DTFOPHAGROJLRO-LBPRGKRZSA-N 0 0 330.392 1.642 10 0 EDAERN CCN(CC(F)F)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000187739475 527969353 /nfs/dbraw/zinc/96/93/53/527969353.db2.gz LWEJVOJYPFHDTK-SECBINFHSA-N 0 0 345.371 1.227 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173973027 528005593 /nfs/dbraw/zinc/00/55/93/528005593.db2.gz GFYFKSUJQGKOCI-CQSZACIVSA-N 0 0 336.440 1.273 10 0 EDAERN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000179498831 528066329 /nfs/dbraw/zinc/06/63/29/528066329.db2.gz CYEOWHFEWTYKOF-WFASDCNBSA-N 0 0 339.461 1.829 10 0 EDAERN CCOC(=O)c1ccc2nc(NC(=O)c3ccc(=O)[nH]n3)sc2c1 ZINC000170499329 528247106 /nfs/dbraw/zinc/24/71/06/528247106.db2.gz FFZJKWYQUDCCAX-UHFFFAOYSA-N 0 0 344.352 1.809 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175946324 528256074 /nfs/dbraw/zinc/25/60/74/528256074.db2.gz IPUCGFACQLBEAO-ZDUSSCGKSA-N 0 0 328.376 1.684 10 0 EDAERN CCCCN(CC(N)=O)S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164723314 528379489 /nfs/dbraw/zinc/37/94/89/528379489.db2.gz QPLIFTLQBUEXOW-UHFFFAOYSA-N 0 0 333.841 1.507 10 0 EDAERN CC(C)c1nnc(CN2CCC(N(C)c3cccnn3)CC2)n1C ZINC000171553758 528425310 /nfs/dbraw/zinc/42/53/10/528425310.db2.gz CIMSANIBHNRDHN-UHFFFAOYSA-N 0 0 329.452 1.829 10 0 EDAERN CCNc1ncc(C(=O)NC[C@@H]2CCCS2(=O)=O)cc1Cl ZINC000155480095 528446029 /nfs/dbraw/zinc/44/60/29/528446029.db2.gz OOBJJRMMZUPEOX-JTQLQIEISA-N 0 0 331.825 1.474 10 0 EDAERN CC(C)n1cnc(S(=O)(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000153780180 528614073 /nfs/dbraw/zinc/61/40/73/528614073.db2.gz RIGSBIKXPHFKCV-LLVKDONJSA-N 0 0 331.438 1.815 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N1CCc2ccccc21 ZINC000176564480 528703705 /nfs/dbraw/zinc/70/37/05/528703705.db2.gz LKJIJDITTJRLFU-HSZRJFAPSA-N 0 0 333.417 1.092 10 0 EDAERN CCOCCN(C)C(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1 ZINC000138543342 528711496 /nfs/dbraw/zinc/71/14/96/528711496.db2.gz DXEHOHDKLKWECR-UHFFFAOYSA-N 0 0 334.825 1.404 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cc(C)cnc2OC)C[C@H]1C ZINC000174991475 528742319 /nfs/dbraw/zinc/74/23/19/528742319.db2.gz MAQOUHKSPGKBKL-CQSZACIVSA-N 0 0 336.436 1.973 10 0 EDAERN CCOCCNC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000178512461 528769792 /nfs/dbraw/zinc/76/97/92/528769792.db2.gz ICGLARMRQNONAI-CQSZACIVSA-N 0 0 341.477 1.799 10 0 EDAERN CCOC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165927473 528789723 /nfs/dbraw/zinc/78/97/23/528789723.db2.gz PMSUQZCODCJNSO-UHFFFAOYSA-N 0 0 341.216 1.759 10 0 EDAERN CCOC(=O)CN(CC)S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164741809 528797578 /nfs/dbraw/zinc/79/75/78/528797578.db2.gz NEONXSYFLHIOGK-UHFFFAOYSA-N 0 0 334.825 1.804 10 0 EDAERN CCCn1c(COc2ccc(Cl)cc2)nnc1S(N)(=O)=O ZINC000158418478 528820316 /nfs/dbraw/zinc/82/03/16/528820316.db2.gz YSGPJOYHQOZOSS-UHFFFAOYSA-N 0 0 330.797 1.568 10 0 EDAERN CCCCc1nnc(NC(=O)N2CC[C@H](N3CCOCC3)C2)s1 ZINC000173777572 529051951 /nfs/dbraw/zinc/05/19/51/529051951.db2.gz JBIYYUHWTGRTHX-LBPRGKRZSA-N 0 0 339.465 1.819 10 0 EDAERN CCN1CCN(C2=C(c3ccccc3OC)C(=O)N(C)C2=O)CC1 ZINC000170058623 529136320 /nfs/dbraw/zinc/13/63/20/529136320.db2.gz HBXBRPSAZYONIP-UHFFFAOYSA-N 0 0 329.400 1.042 10 0 EDAERN CC1(C)C[C@@H](NC(=O)NCCS(C)(=O)=O)c2ccccc2O1 ZINC000177947506 529137673 /nfs/dbraw/zinc/13/76/73/529137673.db2.gz UYGMNNWBABAPOV-GFCCVEGCSA-N 0 0 326.418 1.633 10 0 EDAERN CCSCC[C@H](C)NC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000174968638 529193890 /nfs/dbraw/zinc/19/38/90/529193890.db2.gz ZHZVUDCNWRQVBN-NWDGAFQWSA-N 0 0 325.482 1.986 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1C[C@@H](C)O ZINC000174623022 529280718 /nfs/dbraw/zinc/28/07/18/529280718.db2.gz RTIUAADSFHLFJT-HIFRSBDPSA-N 0 0 344.415 1.654 10 0 EDAERN CC(C)[C@H]1N(C(=O)NCCC2(O)CCOCC2)C[C@@]12CCCO2 ZINC000334084925 535271142 /nfs/dbraw/zinc/27/11/42/535271142.db2.gz LLYRXKRATJJCRP-PBHICJAKSA-N 0 0 326.437 1.517 10 0 EDAERN CCCCS(=O)(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000112707539 535331100 /nfs/dbraw/zinc/33/11/00/535331100.db2.gz SGDHCQMMXUREID-UHFFFAOYSA-N 0 0 328.482 1.541 10 0 EDAERN CCCCS(=O)(=O)Nc1ccc2c(c1)OCCN2S(C)(=O)=O ZINC000062572825 535336575 /nfs/dbraw/zinc/33/65/75/535336575.db2.gz BBWLNTOIWHPIPN-UHFFFAOYSA-N 0 0 348.446 1.387 10 0 EDAERN CCS(=O)(=O)CCCCCN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000191295156 535621365 /nfs/dbraw/zinc/62/13/65/535621365.db2.gz MCANNSOZTPUDTC-UONOGXRCSA-N 0 0 345.465 1.745 10 0 EDAERN CCc1noc([C@H](C)N2CCN([C@H](C)C(=O)N[C@H](C)CC)CC2)n1 ZINC000247207050 535897141 /nfs/dbraw/zinc/89/71/41/535897141.db2.gz PKZFFNOFWQVKRT-MCIONIFRSA-N 0 0 337.468 1.614 10 0 EDAERN CC[C@H](C)c1ccccc1OCC(=O)N1CC(NC(=O)COC)C1 ZINC000185239618 536023913 /nfs/dbraw/zinc/02/39/13/536023913.db2.gz JCWGDPQDMGXQEH-ZDUSSCGKSA-N 0 0 334.416 1.552 10 0 EDAERN COC(=O)C[C@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccccc1 ZINC000181444914 536345893 /nfs/dbraw/zinc/34/58/93/536345893.db2.gz XZYYDVCTQVDPBM-ZDUSSCGKSA-N 0 0 339.355 1.398 10 0 EDAERN COC[C@@H](Cc1ccccc1)N(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000248893288 536642097 /nfs/dbraw/zinc/64/20/97/536642097.db2.gz IVFXAQPJPTVOGL-IAGOWNOFSA-N 0 0 335.448 1.216 10 0 EDAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)NCCc2ccc[nH]2)CCC(=O)N1C ZINC000888076577 590931329 /nfs/dbraw/zinc/93/13/29/590931329.db2.gz VAQWNBCRTWDYBK-ZFWWWQNUSA-N 0 0 329.404 1.017 10 0 EDAERN Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079457 590936779 /nfs/dbraw/zinc/93/67/79/590936779.db2.gz OPOXNRUSQXLZKU-GVDBMIGSSA-N 0 0 337.383 1.482 10 0 EDAERN Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cccn4nnnc34)C2)n1 ZINC000896207655 591385505 /nfs/dbraw/zinc/38/55/05/591385505.db2.gz QPIFYUJZPSXJKX-CYBMUJFWSA-N 0 0 325.376 1.415 10 0 EDAERN NC(=O)[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)C[C@H]1C(F)(F)F ZINC000897995432 591739717 /nfs/dbraw/zinc/73/97/17/591739717.db2.gz FDLUFIASHRUGGW-HTQZYQBOSA-N 0 0 344.268 1.438 10 0 EDAERN CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000102804722 595116042 /nfs/dbraw/zinc/11/60/42/595116042.db2.gz FZYPCEVKCYUUES-NXEZZACHSA-N 0 0 330.372 1.794 10 0 EDAERN Cc1ccc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cn1 ZINC000120476699 596528613 /nfs/dbraw/zinc/52/86/13/596528613.db2.gz OWFYNTXMNLECAZ-NSHDSACASA-N 0 0 344.396 1.456 10 0 EDAERN Cc1nonc1CN1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000864335072 596852321 /nfs/dbraw/zinc/85/23/21/596852321.db2.gz XOZUEBAMCKXCEF-LBPRGKRZSA-N 0 0 330.392 1.463 10 0 EDAERN COc1cc2c(cc1OC)CN(C(=O)Cn1ccc([C@H](C)O)n1)CC2 ZINC000133776346 598002022 /nfs/dbraw/zinc/00/20/22/598002022.db2.gz IIGRIWQXVKEJPE-LBPRGKRZSA-N 0 0 345.399 1.539 10 0 EDAERN C[C@H](O)c1ccn(CC(=O)Nc2ccccc2N2CCCC2=O)n1 ZINC000128715131 598034077 /nfs/dbraw/zinc/03/40/77/598034077.db2.gz CCFFVDXVYQHSPK-LBPRGKRZSA-N 0 0 328.372 1.702 10 0 EDAERN Cn1nccc1CCNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000185872558 700159077 /nfs/dbraw/zinc/15/90/77/700159077.db2.gz CEVCPSNIIKRRSN-ZDUSSCGKSA-N 0 0 336.436 1.726 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCCc2ccnn2C)C12CCOCC2 ZINC000185944232 700475375 /nfs/dbraw/zinc/47/53/75/700475375.db2.gz PNYYSBPLJFXNSA-LSDHHAIUSA-N 0 0 336.436 1.236 10 0 EDAERN Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)c(Cl)n1 ZINC000185471156 702148957 /nfs/dbraw/zinc/14/89/57/702148957.db2.gz FSMVQAQGVDNHGJ-LLVKDONJSA-N 0 0 333.841 1.042 10 0 EDAERN C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1C(=O)OC(C)(C)C ZINC000186862115 707202913 /nfs/dbraw/zinc/20/29/13/707202913.db2.gz QVYUWFFAJSYNFA-PWSUYJOCSA-N 0 0 337.424 1.520 10 0 EDAERN Nc1cc(-c2csc(I)c2)nn1CCO ZINC000086689136 707282859 /nfs/dbraw/zinc/28/28/59/707282859.db2.gz PHDXFRCQNKCXGJ-UHFFFAOYSA-N 0 0 335.170 1.791 10 0 EDAERN O=C([O-])c1cc(Br)ccc1NC(=O)N1CC[NH2+]CC1 ZINC000050208873 214050914 /nfs/dbraw/zinc/05/09/14/214050914.db2.gz NPFXIQCPFMPODE-UHFFFAOYSA-N 0 0 328.166 1.584 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1nccs1 ZINC000050451592 214056346 /nfs/dbraw/zinc/05/63/46/214056346.db2.gz LVHIRUGYCJLHCO-NSHDSACASA-N 0 0 331.463 1.006 10 0 EDAERN CCCNc1ncc(Br)cc1C(=O)N1CCNC(=O)C1 ZINC000050744612 214068680 /nfs/dbraw/zinc/06/86/80/214068680.db2.gz HYRHCGSKYACRMP-UHFFFAOYSA-N 0 0 341.209 1.238 10 0 EDAERN CCNc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc(Cl)n1 ZINC000050771215 214069627 /nfs/dbraw/zinc/06/96/27/214069627.db2.gz ZILOSWDZFITDFK-SECBINFHSA-N 0 0 331.825 1.331 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)NCCCC(N)=O ZINC000050770221 214069893 /nfs/dbraw/zinc/06/98/93/214069893.db2.gz UZFIASLDCSFRRX-UHFFFAOYSA-N 0 0 329.198 1.271 10 0 EDAERN CNc1ncc(Br)cc1C(=O)N[C@@H](C)Cn1ccnc1 ZINC000050788765 214070870 /nfs/dbraw/zinc/07/08/70/214070870.db2.gz POBWCIXHHZPHDU-VIFPVBQESA-N 0 0 338.209 1.901 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O ZINC000051994040 214111086 /nfs/dbraw/zinc/11/10/86/214111086.db2.gz UCWVEYWMCOJTTP-QWRGUYRKSA-N 0 0 349.250 1.613 10 0 EDAERN C[C@H](O)CN(C)S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000051820907 214105115 /nfs/dbraw/zinc/10/51/15/214105115.db2.gz FRHSXPZWLXRQPA-LURJTMIESA-N 0 0 344.177 1.729 10 0 EDAERN COc1cc(Cn2cc(CO)nn2)c(OC)cc1Br ZINC000052222297 214122592 /nfs/dbraw/zinc/12/25/92/214122592.db2.gz JABHXDPSFOTYIJ-UHFFFAOYSA-N 0 0 328.166 1.598 10 0 EDAERN C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)C(N)=S ZINC000054154403 214220238 /nfs/dbraw/zinc/22/02/38/214220238.db2.gz FZUOAHGSEJAAEH-SSDOTTSWSA-N 0 0 337.264 1.650 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)s1 ZINC000173735803 231018473 /nfs/dbraw/zinc/01/84/73/231018473.db2.gz DLCQPTLHYMIZOM-LLVKDONJSA-N 0 0 342.446 1.554 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173735894 231019280 /nfs/dbraw/zinc/01/92/80/231019280.db2.gz CEMRJNYZXUFGRN-LBPRGKRZSA-N 0 0 342.808 1.529 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3C)CCO2)[nH]1 ZINC000173735523 231019413 /nfs/dbraw/zinc/01/94/13/231019413.db2.gz NKJROBMYPUSGJW-CYBMUJFWSA-N 0 0 336.417 1.492 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)[nH]1 ZINC000173735406 231019459 /nfs/dbraw/zinc/01/94/59/231019459.db2.gz PBKRFSLZWJBKGT-LBPRGKRZSA-N 0 0 326.353 1.014 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1nc2ccccc2s1 ZINC000173992469 231092582 /nfs/dbraw/zinc/09/25/82/231092582.db2.gz XPJYKLYAEAAZLW-CYBMUJFWSA-N 0 0 346.456 1.641 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000056058432 214355873 /nfs/dbraw/zinc/35/58/73/214355873.db2.gz IAEGHVYGJBBVBW-LLVKDONJSA-N 0 0 332.857 1.241 10 0 EDAERN CN(CC(F)(F)F)C(=O)c1cc(F)c(F)cc1S(N)(=O)=O ZINC000050036845 214039902 /nfs/dbraw/zinc/03/99/02/214039902.db2.gz IEKQDKIXFBTCKG-UHFFFAOYSA-N 0 0 332.250 1.247 10 0 EDAERN CC[C@]1(C)NC(=O)[C@@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168895418 529415737 /nfs/dbraw/zinc/41/57/37/529415737.db2.gz PBBVKTBDNVSGSD-OTYXRUKQSA-N 0 0 340.221 1.860 10 0 EDAERN C[C@H](O)c1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000174512755 231227389 /nfs/dbraw/zinc/22/73/89/231227389.db2.gz NUQBHELECNILQC-XJKSGUPXSA-N 0 0 329.404 1.878 10 0 EDAERN CC[C@@H](COC)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165101745 529519294 /nfs/dbraw/zinc/51/92/94/529519294.db2.gz RZENLPWMOAICES-ZETCQYMHSA-N 0 0 338.788 1.281 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(F)c(F)c3)C2=O)n(C)n1 ZINC000174974406 231357675 /nfs/dbraw/zinc/35/76/75/231357675.db2.gz PJZPHOHNNUTTMH-AWEZNQCLSA-N 0 0 348.353 1.932 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccccn3)C2=O)n(C)n1 ZINC000174977671 231359071 /nfs/dbraw/zinc/35/90/71/231359071.db2.gz BURRPTCYPSZSIX-OAHLLOKOSA-N 0 0 341.415 1.368 10 0 EDAERN CCN1CCN(C(=O)CCc2ccc3cc(C)c(=O)[nH]c3c2)CC1 ZINC000049681260 214026801 /nfs/dbraw/zinc/02/68/01/214026801.db2.gz BZMJNVIKWBIYFS-UHFFFAOYSA-N 0 0 327.428 1.933 10 0 EDAERN COC(=O)c1ccc(NC(=O)CCc2nn3cnnc3s2)cc1 ZINC000049662730 214025211 /nfs/dbraw/zinc/02/52/11/214025211.db2.gz NRHMXXVBBWVLLR-UHFFFAOYSA-N 0 0 331.357 1.544 10 0 EDAERN CNc1nc(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)s1 ZINC000049664548 214025050 /nfs/dbraw/zinc/02/50/50/214025050.db2.gz HDBRBDPNYCQSBQ-UHFFFAOYSA-N 0 0 334.401 1.684 10 0 EDAERN O=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CCCC[C@H]1CO ZINC000176002501 231552815 /nfs/dbraw/zinc/55/28/15/231552815.db2.gz DJBVIYLLOFCZIP-JKSUJKDBSA-N 0 0 345.443 1.816 10 0 EDAERN COC(=O)CCC(=O)Nc1cccc(OC(=O)CCC(=O)OC)c1 ZINC000059503671 214620896 /nfs/dbraw/zinc/62/08/96/214620896.db2.gz WWDZQFSENUNVFV-UHFFFAOYSA-N 0 0 337.328 1.437 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(OC)cc3)CCO2)[nH]1 ZINC000130021811 529699212 /nfs/dbraw/zinc/69/92/12/529699212.db2.gz LXKGYUWOAXDBDL-AWEZNQCLSA-N 0 0 345.403 1.659 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000173757293 529701762 /nfs/dbraw/zinc/70/17/62/529701762.db2.gz CEPNEIZYHLREIA-GFCCVEGCSA-N 0 0 336.779 1.940 10 0 EDAERN CCN(CC)C(=O)[C@@H](C)NC(=O)c1ccc(Br)cn1 ZINC000061873621 214681506 /nfs/dbraw/zinc/68/15/06/214681506.db2.gz WAILEJCTDJGPEK-SECBINFHSA-N 0 0 328.210 1.831 10 0 EDAERN CS(=O)(=O)N1CCN(Cc2nc3sccc3c(Cl)n2)CC1 ZINC000062084059 214697553 /nfs/dbraw/zinc/69/75/53/214697553.db2.gz HYETVYKMSOYZBI-UHFFFAOYSA-N 0 0 346.865 1.422 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc(C(N)=O)nc2)C1 ZINC000164292849 529761192 /nfs/dbraw/zinc/76/11/92/529761192.db2.gz WQGTYFACMHLDMQ-ZDUSSCGKSA-N 0 0 342.403 1.808 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000187409910 529783321 /nfs/dbraw/zinc/78/33/21/529783321.db2.gz DMJFOKWEZOMDLP-ZDUSSCGKSA-N 0 0 341.358 1.184 10 0 EDAERN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)Nc1ncccn1 ZINC000049383337 214004193 /nfs/dbraw/zinc/00/41/93/214004193.db2.gz WPZIOWJTMWFWND-UHFFFAOYSA-N 0 0 333.298 1.636 10 0 EDAERN CN1CC[C@H](S(=O)(=O)c2ccc(Br)cc2N)C1=O ZINC000165758929 529807251 /nfs/dbraw/zinc/80/72/51/529807251.db2.gz LXUUDPOLCBLIOX-JTQLQIEISA-N 0 0 333.207 1.036 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1ccccc1OC(F)F ZINC000190246702 529902175 /nfs/dbraw/zinc/90/21/75/529902175.db2.gz UCPPYOFQAGQIHU-LBPRGKRZSA-N 0 0 341.358 1.751 10 0 EDAERN CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000175612625 529942288 /nfs/dbraw/zinc/94/22/88/529942288.db2.gz WSULABTWYQKTFK-SJLPKXTDSA-N 0 0 347.459 1.399 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000159351353 529923672 /nfs/dbraw/zinc/92/36/72/529923672.db2.gz ALRCBTKHOFJAIL-XJKSGUPXSA-N 0 0 341.415 1.853 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1cccnc1OCC(F)F ZINC000132662052 529923757 /nfs/dbraw/zinc/92/37/57/529923757.db2.gz OBRHBAJIYCLUCX-LLVKDONJSA-N 0 0 342.346 1.146 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000101565348 219138846 /nfs/dbraw/zinc/13/88/46/219138846.db2.gz UGNMZWATFHJMRC-MRXNPFEDSA-N 0 0 335.423 1.823 10 0 EDAERN CN([C@H]1CCOC1)S(=O)(=O)c1ccc(N)c(Br)c1 ZINC000157959633 530034358 /nfs/dbraw/zinc/03/43/58/530034358.db2.gz JQGXSWXPDBROSG-QMMMGPOBSA-N 0 0 335.223 1.441 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCn2nc(C)cc2C)C1 ZINC000101770279 219163741 /nfs/dbraw/zinc/16/37/41/219163741.db2.gz RLZWVCJNYXMTBQ-MRXNPFEDSA-N 0 0 349.479 1.980 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000101788918 219164711 /nfs/dbraw/zinc/16/47/11/219164711.db2.gz NMAKWAFHSCRGRB-AWEZNQCLSA-N 0 0 338.452 1.089 10 0 EDAERN COC(=O)[C@@H](C)CNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000101895279 219170088 /nfs/dbraw/zinc/17/00/88/219170088.db2.gz GYUJYUSLJYDCNI-DZGCQCFKSA-N 0 0 334.416 1.675 10 0 EDAERN O=C(C[C@H]1NCCNC1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000066152763 215017290 /nfs/dbraw/zinc/01/72/90/215017290.db2.gz PIONWJJGHMCXOG-QGZVFWFLSA-N 0 0 339.395 1.682 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000102374974 219198339 /nfs/dbraw/zinc/19/83/39/219198339.db2.gz KNGDMTQWJSJSDN-SECBINFHSA-N 0 0 329.312 1.482 10 0 EDAERN O=S(=O)(CC[C@H]1CCCO1)N1CCO[C@H](c2nccs2)C1 ZINC000245999321 539597334 /nfs/dbraw/zinc/59/73/34/539597334.db2.gz IEGLRZMIBHKWPV-NEPJUHHUSA-N 0 0 332.447 1.415 10 0 EDAERN CCCN(CC(=O)OCC)S(=O)(=O)c1cnc(Cl)s1 ZINC000042707572 213527138 /nfs/dbraw/zinc/52/71/38/213527138.db2.gz QURHFNNYVVUBPS-UHFFFAOYSA-N 0 0 326.827 1.760 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)o1 ZINC000103624889 219317780 /nfs/dbraw/zinc/31/77/80/219317780.db2.gz AGRPRRWTZHCIBP-LLVKDONJSA-N 0 0 329.356 1.811 10 0 EDAERN O=S(=O)(N1CCC[C@H]1c1cccc(Cl)c1)N1CCNCC1 ZINC000040861427 213394323 /nfs/dbraw/zinc/39/43/23/213394323.db2.gz XTLBIFOVXILMHG-AWEZNQCLSA-N 0 0 329.853 1.627 10 0 EDAERN Nc1c(Nc2ccc(I)cc2)nc[nH]c1=O ZINC000040782386 213387426 /nfs/dbraw/zinc/38/74/26/213387426.db2.gz CFARGMATSTWEBH-UHFFFAOYSA-N 0 0 328.113 1.700 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000152511001 539816232 /nfs/dbraw/zinc/81/62/32/539816232.db2.gz HAJIIRPCXCUUKJ-ZDUSSCGKSA-N 0 0 330.392 1.329 10 0 EDAERN CCOc1cc(CO)cc(Br)c1OC[C@@H](O)COC ZINC000069054501 215357623 /nfs/dbraw/zinc/35/76/23/215357623.db2.gz VLTMWVRINSAUBY-JTQLQIEISA-N 0 0 335.194 1.726 10 0 EDAERN CCOC1CCN(S(=O)(=O)c2cccc(C(N)=S)c2)CC1 ZINC000040690074 213368763 /nfs/dbraw/zinc/36/87/63/213368763.db2.gz MQBWMBOXXGSFMP-UHFFFAOYSA-N 0 0 328.459 1.510 10 0 EDAERN CC/C(=C\c1ccccc1)C(=O)N1CCO[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000040666338 213366096 /nfs/dbraw/zinc/36/60/96/213366096.db2.gz WEOGHSXVLDHIGE-YYOKVSEPSA-N 0 0 335.425 1.504 10 0 EDAERN COc1ccc(S(=O)(=O)c2nc(C)oc2N2CCOCC2)cc1 ZINC000040513117 213329620 /nfs/dbraw/zinc/32/96/20/213329620.db2.gz OOSNVVXUFGOVLQ-UHFFFAOYSA-N 0 0 338.385 1.661 10 0 EDAERN COCc1noc([C@H](C)N2CCN([C@H](C)c3nc(C)no3)CC2)n1 ZINC000181838060 234344188 /nfs/dbraw/zinc/34/41/88/234344188.db2.gz FTZYOGFWPSQUJJ-MNOVXSKESA-N 0 0 336.396 1.347 10 0 EDAERN CCC(C)(C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000069463426 215433736 /nfs/dbraw/zinc/43/37/36/215433736.db2.gz BRJFIUJUONNRLF-UHFFFAOYSA-N 0 0 334.463 1.481 10 0 EDAERN CC1(C)c2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3O)ccc2NC1=O ZINC000158520907 539998226 /nfs/dbraw/zinc/99/82/26/539998226.db2.gz JXOSUOVFAMXYGK-UONOGXRCSA-N 0 0 338.429 1.498 10 0 EDAERN CCOC(=O)CNC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000039842012 213242713 /nfs/dbraw/zinc/24/27/13/213242713.db2.gz UZTAREQDRKASIZ-VMPITWQZSA-N 0 0 326.805 1.907 10 0 EDAERN CN1CCOc2ccc(NC(=O)N3CCOC[C@@H]3c3nc[nH]n3)cc21 ZINC000375503271 283037810 /nfs/dbraw/zinc/03/78/10/283037810.db2.gz RKMQAVOYGQKDDU-CYBMUJFWSA-N 0 0 344.375 1.239 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000161842327 540039889 /nfs/dbraw/zinc/03/98/89/540039889.db2.gz ZGVVRHPFJSQUBR-MRXNPFEDSA-N 0 0 338.473 1.100 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000183391394 235044376 /nfs/dbraw/zinc/04/43/76/235044376.db2.gz HTNNFDXTFNGACX-UHFFFAOYSA-N 0 0 339.403 1.192 10 0 EDAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811163 219536642 /nfs/dbraw/zinc/53/66/42/219536642.db2.gz LHISMXRRNFRZGY-OAHLLOKOSA-N 0 0 345.447 1.306 10 0 EDAERN Cn1cc(C(=O)N2CCCCC2)cc(NC(=O)c2ccco2)c1=O ZINC000038492647 213211673 /nfs/dbraw/zinc/21/16/73/213211673.db2.gz OLSAWAAMNZBMNW-UHFFFAOYSA-N 0 0 329.356 1.857 10 0 EDAERN O=C(Nc1ccnn1-c1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000179403553 540117663 /nfs/dbraw/zinc/11/76/63/540117663.db2.gz GMIHTRLKRWWEKK-HIFRSBDPSA-N 0 0 342.399 1.478 10 0 EDAERN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cn1 ZINC000181331882 540126118 /nfs/dbraw/zinc/12/61/18/540126118.db2.gz ZEYCQSZZRIWEHF-ZDUSSCGKSA-N 0 0 336.417 1.530 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)CC2 ZINC000181730257 540127629 /nfs/dbraw/zinc/12/76/29/540127629.db2.gz DIVLBGZMZRJGOP-STQMWFEESA-N 0 0 342.465 1.205 10 0 EDAERN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCC(=O)NCC1CC1 ZINC000183798785 235229734 /nfs/dbraw/zinc/22/97/34/235229734.db2.gz PFBQPJPNGNOLBM-IAQYHMDHSA-N 0 0 337.395 1.463 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)Nc3cnns3)CC2)cn1 ZINC000192357860 540178078 /nfs/dbraw/zinc/17/80/78/540178078.db2.gz RPQIPRJTSVJBOW-UHFFFAOYSA-N 0 0 349.464 1.839 10 0 EDAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)c1sc(Cl)nc1C ZINC000038109170 213202969 /nfs/dbraw/zinc/20/29/69/213202969.db2.gz QOVGOOMASIAUDM-ZCFIWIBFSA-N 0 0 326.827 1.535 10 0 EDAERN Cc1ccccc1CN1CCN(C(=O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000066404599 138177301 /nfs/dbraw/zinc/17/73/01/138177301.db2.gz YUYPZAABEDJIBD-ROUUACIJSA-N 0 0 345.487 1.748 10 0 EDAERN C[C@H](NC(=O)N1CCC(CC(=O)N2CCCC2)CC1)[C@H]1CCCO1 ZINC000079485698 138261704 /nfs/dbraw/zinc/26/17/04/138261704.db2.gz GFCYBSWDAJUZRM-GOEBONIOSA-N 0 0 337.464 1.988 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1cc(Br)cs1 ZINC000091778787 138284852 /nfs/dbraw/zinc/28/48/52/138284852.db2.gz WZBHZHGQFSXFCZ-SNVBAGLBSA-N 0 0 347.234 1.156 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cnc(Cc2ccccc2)s1 ZINC000091781346 138284899 /nfs/dbraw/zinc/28/48/99/138284899.db2.gz QPSVXISEQKKOHU-GFCCVEGCSA-N 0 0 331.397 1.060 10 0 EDAERN C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)N1CCCCC1 ZINC000089804674 138275488 /nfs/dbraw/zinc/27/54/88/138275488.db2.gz XUYKTSGASLPAEX-ZDUSSCGKSA-N 0 0 327.388 1.398 10 0 EDAERN COC(=O)[C@@H](NC(=O)c1ncn(-c2ccccc2)n1)c1ccccc1 ZINC000092285898 138287741 /nfs/dbraw/zinc/28/77/41/138287741.db2.gz AHLMBJIFLINXEK-HNNXBMFYSA-N 0 0 336.351 1.911 10 0 EDAERN CCc1ccc(O)c(C(=O)N[C@H]2CCCn3nc(COC)nc32)c1 ZINC000092602882 138289949 /nfs/dbraw/zinc/28/99/49/138289949.db2.gz KIDSUQNBJGMFFN-ZDUSSCGKSA-N 0 0 330.388 1.957 10 0 EDAERN C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)c1ccc(Cl)s1 ZINC000093124721 138291695 /nfs/dbraw/zinc/29/16/95/138291695.db2.gz HPGNYKRJOIRORG-QMMMGPOBSA-N 0 0 344.824 1.704 10 0 EDAERN COCc1cccc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000109923308 138306736 /nfs/dbraw/zinc/30/67/36/138306736.db2.gz GJAUSZRDHLRKSU-UHFFFAOYSA-N 0 0 344.415 1.873 10 0 EDAERN O=C(CNC(=O)c1cccc(F)c1)N1CCO[C@H](c2nccs2)C1 ZINC000111620501 138308730 /nfs/dbraw/zinc/30/87/30/138308730.db2.gz AIIWBVKMZCUUOP-ZDUSSCGKSA-N 0 0 349.387 1.612 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCNC(=O)OC(C)(C)C)CC2 ZINC000114863255 138310714 /nfs/dbraw/zinc/31/07/14/138310714.db2.gz LSXIUOPMWNBPBG-LLVKDONJSA-N 0 0 337.424 1.186 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CSCc1c(C)noc1C)CC2 ZINC000114866183 138310715 /nfs/dbraw/zinc/31/07/15/138310715.db2.gz YJSLZWLNKKUHCY-GFCCVEGCSA-N 0 0 349.460 1.810 10 0 EDAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000124418218 138326466 /nfs/dbraw/zinc/32/64/66/138326466.db2.gz FQTVEPIMKQKXRO-QMMMGPOBSA-N 0 0 346.214 1.375 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccsc1)CC2 ZINC000125498544 138334484 /nfs/dbraw/zinc/33/44/84/138334484.db2.gz GGCTUTGFPSEVQT-SNVBAGLBSA-N 0 0 333.417 1.533 10 0 EDAERN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(Cn2cccn2)CC1 ZINC000126006675 138337181 /nfs/dbraw/zinc/33/71/81/138337181.db2.gz OVLRYYSEMBQGAI-MRXNPFEDSA-N 0 0 344.459 1.913 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CC[C@H](Oc2cccnc2)C1 ZINC000131274178 138355775 /nfs/dbraw/zinc/35/57/75/138355775.db2.gz FGISALZHVSIYLR-HNNXBMFYSA-N 0 0 339.399 1.765 10 0 EDAERN Cc1ccsc1CNC(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000131370276 138357967 /nfs/dbraw/zinc/35/79/67/138357967.db2.gz VKHMVHPZUTYRNP-JOCHJYFZSA-N 0 0 341.462 1.189 10 0 EDAERN CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000132675024 138380644 /nfs/dbraw/zinc/38/06/44/138380644.db2.gz KAJZAMNQQFTUTO-CQSZACIVSA-N 0 0 328.482 1.503 10 0 EDAERN O=C(Nc1cnn(-c2ncccn2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000132889606 138384635 /nfs/dbraw/zinc/38/46/35/138384635.db2.gz PPPXREPYEARHNJ-DYVFJYSZSA-N 0 0 342.403 1.821 10 0 EDAERN CC(C)NC(=O)CCCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133632901 138396103 /nfs/dbraw/zinc/39/61/03/138396103.db2.gz MSAJESHKBDWYCV-ZDUSSCGKSA-N 0 0 335.452 1.527 10 0 EDAERN O=S1(=O)C[C@@H](O)[C@H](Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000037491857 213149428 /nfs/dbraw/zinc/14/94/28/213149428.db2.gz UJYCFDUVAHTUFF-NXEZZACHSA-N 0 0 329.727 1.929 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)O1 ZINC000150950949 138445956 /nfs/dbraw/zinc/44/59/56/138445956.db2.gz XUKOLAINAAQPHX-CJNGLKHVSA-N 0 0 334.391 1.607 10 0 EDAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br ZINC000036721854 213113408 /nfs/dbraw/zinc/11/34/08/213113408.db2.gz IDCSWDFMJHYACO-SVRRBLITSA-N 0 0 333.207 1.691 10 0 EDAERN C[C@@H](CNC(=O)N1CC2(CCCC2)OC(C)(C)C1)N1CCOCC1 ZINC000187779167 295948923 /nfs/dbraw/zinc/94/89/23/295948923.db2.gz DSSABQCFETWANW-HNNXBMFYSA-N 0 0 339.480 1.840 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000186884335 236054080 /nfs/dbraw/zinc/05/40/80/236054080.db2.gz FVXNUYMCMWOFDF-NSHDSACASA-N 0 0 343.778 1.257 10 0 EDAERN CCCS(=O)(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000070238505 215684265 /nfs/dbraw/zinc/68/42/65/215684265.db2.gz FLZIQLJYCPLVOW-UHFFFAOYSA-N 0 0 334.195 1.770 10 0 EDAERN CNC(=O)CCCN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000179184655 283294501 /nfs/dbraw/zinc/29/45/01/283294501.db2.gz OYIJYLYPWAUIOK-QAPCUYQASA-N 0 0 345.443 1.581 10 0 EDAERN CC(C)(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000036227522 213076816 /nfs/dbraw/zinc/07/68/16/213076816.db2.gz ANEABAFVAPOLSL-UHFFFAOYSA-N 0 0 342.436 1.747 10 0 EDAERN CN(C)[C@@H](CNS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000036217170 213077987 /nfs/dbraw/zinc/07/79/87/213077987.db2.gz BRRMQYJDFZUDDT-AWEZNQCLSA-N 0 0 340.445 1.880 10 0 EDAERN O=CN1CCN(C(=O)[C@H](Cc2ccccn2)c2ccc(F)cc2)CC1 ZINC000036150909 213072993 /nfs/dbraw/zinc/07/29/93/213072993.db2.gz FYAKKFSMCNLMNJ-GOSISDBHSA-N 0 0 341.386 1.848 10 0 EDAERN C[C@H](NC(=O)N1CCC([C@H]2CCCO2)CC1)C(=O)N1CCCCC1 ZINC000187458725 236216293 /nfs/dbraw/zinc/21/62/93/236216293.db2.gz NPVRURSRRVERCX-GOEBONIOSA-N 0 0 337.464 1.988 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cccc(-n3cccn3)c2)n1 ZINC000155550133 138540720 /nfs/dbraw/zinc/54/07/20/138540720.db2.gz HFKHZDISLVHQAP-OAHLLOKOSA-N 0 0 339.355 1.777 10 0 EDAERN CC(=O)C(=C(C)O)n1c(CN(C)C)nc2sc(C)c(C)c2c1=O ZINC000036070347 213059306 /nfs/dbraw/zinc/05/93/06/213059306.db2.gz KQKVSNIBUFPRPP-UHFFFAOYSA-N 0 0 335.429 1.856 10 0 EDAERN CCCNC(=O)Cn1c(CN(C)C)nc2sc(C)c(C)c2c1=O ZINC000036070491 213058736 /nfs/dbraw/zinc/05/87/36/213058736.db2.gz JRUMMYDEYQMLPT-UHFFFAOYSA-N 0 0 336.461 1.663 10 0 EDAERN COCCNC(=O)CN(C)C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000036002602 213054178 /nfs/dbraw/zinc/05/41/78/213054178.db2.gz RXJYOGYTKYQLBV-UHFFFAOYSA-N 0 0 347.371 1.185 10 0 EDAERN C[C@H]1COCCN1S(=O)(=O)c1ccc(N)cc1Br ZINC000035773777 213049489 /nfs/dbraw/zinc/04/94/89/213049489.db2.gz KAWDXTGRLKSHAZ-QMMMGPOBSA-N 0 0 335.223 1.441 10 0 EDAERN O=C(NC1CN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000187976035 236366522 /nfs/dbraw/zinc/36/65/22/236366522.db2.gz LDUNDTPIGHTQPD-AWEZNQCLSA-N 0 0 328.334 1.949 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1F)N[C@@H]1CCCC[C@H]1CO ZINC000157197168 138628387 /nfs/dbraw/zinc/62/83/87/138628387.db2.gz DHEHYFSAOUKHRP-IINYFYTJSA-N 0 0 326.343 1.362 10 0 EDAERN COCCCCNS(=O)(=O)c1ccc(N)c(Br)c1 ZINC000071384899 215765911 /nfs/dbraw/zinc/76/59/11/215765911.db2.gz IBAXWQAHQHTMNP-UHFFFAOYSA-N 0 0 337.239 1.736 10 0 EDAERN CCOC(=O)NCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172411472 138664673 /nfs/dbraw/zinc/66/46/73/138664673.db2.gz NXEFFHZKHRVCFH-UHFFFAOYSA-N 0 0 332.360 1.223 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CSCc3ccncc3)CCO2)[nH]1 ZINC000173539751 138671387 /nfs/dbraw/zinc/67/13/87/138671387.db2.gz QIPNJRYVFAPWOK-CYBMUJFWSA-N 0 0 333.417 1.341 10 0 EDAERN Cc1ccc(=O)n(CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000071542206 215785268 /nfs/dbraw/zinc/78/52/68/215785268.db2.gz VVFXQELUAYJCBM-UHFFFAOYSA-N 0 0 325.368 1.688 10 0 EDAERN O=C([O-])C[C@@H]1C[NH2+]CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000071754543 304077368 /nfs/dbraw/zinc/07/73/68/304077368.db2.gz HGOKISZMWPOLNA-CYBMUJFWSA-N 0 0 329.400 1.623 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(C(N)=O)o1 ZINC000176747105 138711907 /nfs/dbraw/zinc/71/19/07/138711907.db2.gz NWTMHTPRNOTLSG-JTQLQIEISA-N 0 0 330.344 1.205 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)CC2 ZINC000176758684 138712149 /nfs/dbraw/zinc/71/21/49/138712149.db2.gz KTAKGQCNUMOVRR-NSHDSACASA-N 0 0 340.387 1.316 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccccc1F)CC2 ZINC000177637722 138732128 /nfs/dbraw/zinc/73/21/28/138732128.db2.gz FOHKQFSLBARCSD-JTQLQIEISA-N 0 0 331.351 1.049 10 0 EDAERN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)[nH]c(=O)n1 ZINC000181911303 138772513 /nfs/dbraw/zinc/77/25/13/138772513.db2.gz KQNMWTDDNHREKD-IUODEOHRSA-N 0 0 344.346 1.376 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cnc(NC)s2)C12CCOCC2 ZINC000184494402 138795424 /nfs/dbraw/zinc/79/54/24/138795424.db2.gz QMTLYHJYZALIFL-RYUDHWBXSA-N 0 0 325.434 1.889 10 0 EDAERN [NH3+][C@H](CCSCC(=O)Nc1ccccc1Br)C(=O)[O-] ZINC000037735527 213164574 /nfs/dbraw/zinc/16/45/74/213164574.db2.gz WHOHYJQHKRQLLO-SECBINFHSA-N 0 0 347.234 1.923 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)N1CCc2c1cccc2Cl ZINC000130078173 223119627 /nfs/dbraw/zinc/11/96/27/223119627.db2.gz AWKJMVMKYXSJKV-IAQYHMDHSA-N 0 0 336.819 1.896 10 0 EDAERN CN(C(=O)NCCOCC(F)F)[C@H]1CCCN(c2cccnn2)C1 ZINC000190282390 238356053 /nfs/dbraw/zinc/35/60/53/238356053.db2.gz BHFKQPCUMCPYDN-LBPRGKRZSA-N 0 0 343.378 1.369 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1Cl ZINC000186185068 138813787 /nfs/dbraw/zinc/81/37/87/138813787.db2.gz HEEXXDPPUUKPEZ-UHFFFAOYSA-N 0 0 342.848 1.938 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)COc3c(C)nn(C)c3C)C2)c1 ZINC000131354013 223225611 /nfs/dbraw/zinc/22/56/11/223225611.db2.gz IDDJKXFGCJBGEQ-HNNXBMFYSA-N 0 0 331.420 1.784 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3snnc3C)CC2)n1 ZINC000190522913 238559969 /nfs/dbraw/zinc/55/99/69/238559969.db2.gz BYMAKRUIGIQQGM-SNVBAGLBSA-N 0 0 336.421 1.311 10 0 EDAERN CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000025318501 212473158 /nfs/dbraw/zinc/47/31/58/212473158.db2.gz AZRJLIFWWPGHNE-ZDUSSCGKSA-N 0 0 340.401 1.226 10 0 EDAERN O=C([O-])c1ccc(-n2ncc(N[C@H]3CCC[NH2+]C3)c(Cl)c2=O)cc1 ZINC000073736257 216418484 /nfs/dbraw/zinc/41/84/84/216418484.db2.gz GVNDHZLYDGRZQW-NSHDSACASA-N 0 0 348.790 1.748 10 0 EDAERN O=S(=O)(c1ccco1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000188702131 138848998 /nfs/dbraw/zinc/84/89/98/138848998.db2.gz VQCVJUVAGSOSBA-UHFFFAOYSA-N 0 0 333.369 1.932 10 0 EDAERN O=C(Cc1ccc(OC(F)(F)F)cc1)N1CC(NC(=O)C2CC2)C1 ZINC000189374326 138869705 /nfs/dbraw/zinc/86/97/05/138869705.db2.gz MJCQBYVGXLBVKC-UHFFFAOYSA-N 0 0 342.317 1.865 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)CCc3cccs3)CCO2)[nH]1 ZINC000189671952 138878462 /nfs/dbraw/zinc/87/84/62/138878462.db2.gz NNWYNDVNBIZSHO-LBPRGKRZSA-N 0 0 342.446 1.120 10 0 EDAERN Cc1onc(C(=O)NCc2ccccc2F)c1CN1CCOCC1 ZINC000021540334 212231961 /nfs/dbraw/zinc/23/19/61/212231961.db2.gz MMHRZBAHPSSEDB-UHFFFAOYSA-N 0 0 333.363 1.884 10 0 EDAERN C[C@@H](NC(=O)CCNC(=O)N1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000109944282 220004240 /nfs/dbraw/zinc/00/42/40/220004240.db2.gz BGQFGQQEWPJANI-RHSMWYFYSA-N 0 0 345.443 1.828 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000076098331 216713269 /nfs/dbraw/zinc/71/32/69/216713269.db2.gz BLQSFDJJOGEADP-WFASDCNBSA-N 0 0 329.400 1.662 10 0 EDAERN COCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000076098275 216713291 /nfs/dbraw/zinc/71/32/91/216713291.db2.gz SJAIRMFGMQULCN-CABZTGNLSA-N 0 0 326.780 1.828 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccnn1C(C)(C)C)CC2 ZINC000190443817 138891097 /nfs/dbraw/zinc/89/10/97/138891097.db2.gz VBKJCIBIXBTUQU-LLVKDONJSA-N 0 0 331.424 1.929 10 0 EDAERN CO[C@@H]1CC[C@H]2OCCN(Cc3nnnn3CC(F)(F)F)[C@@H]2C1 ZINC000191008043 138902496 /nfs/dbraw/zinc/90/24/96/138902496.db2.gz FLYNJJXLRCMUQJ-GMTAPVOTSA-N 0 0 335.330 1.004 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000191380291 138912350 /nfs/dbraw/zinc/91/23/50/138912350.db2.gz ACMQLIVGKHRXNG-WUHRBBMRSA-N 0 0 330.400 1.611 10 0 EDAERN O=C(N[C@H]1CCSC1=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000020612627 212154777 /nfs/dbraw/zinc/15/47/77/212154777.db2.gz KIPJBIVSVTWPAW-NSHDSACASA-N 0 0 338.454 1.749 10 0 EDAERN CO[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000076551319 216789631 /nfs/dbraw/zinc/78/96/31/216789631.db2.gz XREUAPFVXURIIZ-TZMCWYRMSA-N 0 0 340.445 1.972 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCNC(=O)c3ccco3)CCO2)cn1 ZINC000191741029 138922877 /nfs/dbraw/zinc/92/28/77/138922877.db2.gz YMMOCHXRKJTCFH-OAHLLOKOSA-N 0 0 346.387 1.216 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195014460 139004737 /nfs/dbraw/zinc/00/47/37/139004737.db2.gz DELWFKCDNLYLAX-LSDHHAIUSA-N 0 0 325.368 1.516 10 0 EDAERN CCc1nnc(CN2CCC(C(=O)NCc3ccccc3)CC2)n1C ZINC000195035202 139005412 /nfs/dbraw/zinc/00/54/12/139005412.db2.gz HWRIZDFVSQSGPC-UHFFFAOYSA-N 0 0 341.459 1.906 10 0 EDAERN CSC1(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CCC1 ZINC000195122885 139007471 /nfs/dbraw/zinc/00/74/71/139007471.db2.gz CLTMXAZPHHTADW-UONOGXRCSA-N 0 0 327.494 1.634 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195080845 139006445 /nfs/dbraw/zinc/00/64/45/139006445.db2.gz ORQNTHOZSAUFHD-LBPRGKRZSA-N 0 0 330.388 1.145 10 0 EDAERN Nc1ccc(Br)c(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000045624542 213745773 /nfs/dbraw/zinc/74/57/73/213745773.db2.gz MHWDFNUZXYUSOK-MRVPVSSYSA-N 0 0 347.234 1.196 10 0 EDAERN Cc1csc(CNS(=O)(=O)Cc2ccccc2C(N)=S)n1 ZINC000049534711 214014986 /nfs/dbraw/zinc/01/49/86/214014986.db2.gz YUBSMTCPZHOSFB-UHFFFAOYSA-N 0 0 341.483 1.705 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000195519780 139019400 /nfs/dbraw/zinc/01/94/00/139019400.db2.gz HELGNXCWOVNWDT-OLZOCXBDSA-N 0 0 327.450 1.513 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000195519853 139019531 /nfs/dbraw/zinc/01/95/31/139019531.db2.gz ZDWXRKWRCFVCDQ-AWEZNQCLSA-N 0 0 349.456 1.865 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000195519833 139019536 /nfs/dbraw/zinc/01/95/36/139019536.db2.gz NNQMKAGHFDRLCD-STQMWFEESA-N 0 0 327.450 1.607 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000195519883 139019602 /nfs/dbraw/zinc/01/96/02/139019602.db2.gz PBSQCGVPBYIQEL-ZDUSSCGKSA-N 0 0 327.450 1.465 10 0 EDAERN O=S1CCN(S(=O)(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000049692710 214027350 /nfs/dbraw/zinc/02/73/50/214027350.db2.gz UHYUFUZYNQZYEC-UHFFFAOYSA-N 0 0 344.845 1.641 10 0 EDAERN NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(Br)c1 ZINC000049689657 214027670 /nfs/dbraw/zinc/02/76/70/214027670.db2.gz SWEVZCYDDPQNBK-QMMMGPOBSA-N 0 0 336.207 1.512 10 0 EDAERN O=S1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000049693325 214028425 /nfs/dbraw/zinc/02/84/25/214028425.db2.gz CXUAMUAQVNHMOQ-UHFFFAOYSA-N 0 0 344.277 1.264 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc(-n2cccn2)n1 ZINC000135548783 223588005 /nfs/dbraw/zinc/58/80/05/223588005.db2.gz SILAXSNGZMWOOZ-AWEZNQCLSA-N 0 0 349.398 1.456 10 0 EDAERN CC(C)(C)C(=O)NCCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110874192 220073557 /nfs/dbraw/zinc/07/35/57/220073557.db2.gz GIENYTVIJRTOEY-LLVKDONJSA-N 0 0 325.434 1.595 10 0 EDAERN O=C(c1c(Cl)nc2ccccn21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111088657 220098779 /nfs/dbraw/zinc/09/87/79/220098779.db2.gz BTHXLRFLDAIFQE-LBPRGKRZSA-N 0 0 345.790 1.725 10 0 EDAERN C[S@](=O)Cc1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111089071 220098937 /nfs/dbraw/zinc/09/89/37/220098937.db2.gz VKEZKUQAZQKQPO-VOIUYBSRSA-N 0 0 347.440 1.303 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2cccc(C)c2)C1 ZINC000111214936 220111361 /nfs/dbraw/zinc/11/13/61/220111361.db2.gz LTJUBKCQKBTKFP-QGZVFWFLSA-N 0 0 331.460 1.992 10 0 EDAERN COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC000080289337 217295556 /nfs/dbraw/zinc/29/55/56/217295556.db2.gz FLABLHJUVZYKID-UHFFFAOYSA-N 0 0 338.360 1.663 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 ZINC000111344917 220142568 /nfs/dbraw/zinc/14/25/68/220142568.db2.gz DOITXBABOCZEQO-ZDUSSCGKSA-N 0 0 341.458 1.651 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3ccncc3)C2=O)n(C)n1 ZINC000080659369 217323140 /nfs/dbraw/zinc/32/31/40/217323140.db2.gz SHIZWKDZBVOFKH-AWEZNQCLSA-N 0 0 342.403 1.118 10 0 EDAERN COc1cccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111425902 220153767 /nfs/dbraw/zinc/15/37/67/220153767.db2.gz BKVKXQFYBGEEGC-INIZCTEOSA-N 0 0 330.388 1.502 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)cc1C ZINC000081073566 217358274 /nfs/dbraw/zinc/35/82/74/217358274.db2.gz HDCPLWFJLRSPBF-ZDUSSCGKSA-N 0 0 336.417 1.717 10 0 EDAERN Cc1nc(C)c(CCNC(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 ZINC000111862379 220211277 /nfs/dbraw/zinc/21/12/77/220211277.db2.gz KGXBIQOHKAVSNW-CQSZACIVSA-N 0 0 349.460 1.610 10 0 EDAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245397343 139072056 /nfs/dbraw/zinc/07/20/56/139072056.db2.gz OXDATOJMPVVPCP-MCIONIFRSA-N 0 0 326.462 1.858 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000245464258 139075910 /nfs/dbraw/zinc/07/59/10/139075910.db2.gz PHJVXJGOCZTLBX-XHSDSOJGSA-N 0 0 349.431 1.398 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)c1 ZINC000112094183 220241334 /nfs/dbraw/zinc/24/13/34/220241334.db2.gz HARSYMFVHBRQFT-CQSZACIVSA-N 0 0 339.392 1.420 10 0 EDAERN CN1CCc2ccc(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3O)cc21 ZINC000245891810 139088670 /nfs/dbraw/zinc/08/86/70/139088670.db2.gz MHTKJUOJQNNCBJ-CZUORRHYSA-N 0 0 331.416 1.285 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000245986829 139091710 /nfs/dbraw/zinc/09/17/10/139091710.db2.gz ZXMXFXBLQYBGNV-FXAWDEMLSA-N 0 0 339.439 1.876 10 0 EDAERN CCCC[C@H](COC)NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246176957 139097792 /nfs/dbraw/zinc/09/77/92/139097792.db2.gz SPRYKIUPAPRWHK-OAGGEKHMSA-N 0 0 327.469 1.554 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000246343763 139104796 /nfs/dbraw/zinc/10/47/96/139104796.db2.gz IIQZSGVVLMFXBP-RWMBFGLXSA-N 0 0 337.424 1.110 10 0 EDAERN C[C@@H](c1nc(-c2cccnc2)no1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246367476 139105643 /nfs/dbraw/zinc/10/56/43/139105643.db2.gz HEUKCOFOWYTTCB-IJEWVQPXSA-N 0 0 343.431 1.845 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246438061 139108467 /nfs/dbraw/zinc/10/84/67/139108467.db2.gz LUGPXKWDCNYPFD-CXAGYDPISA-N 0 0 336.407 1.765 10 0 EDAERN CC(C)OC(=O)[C@H](C)CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246541375 139112165 /nfs/dbraw/zinc/11/21/65/139112165.db2.gz AQMOVMUXGLXGLO-JKIFEVAISA-N 0 0 326.437 1.911 10 0 EDAERN C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@H]1N1CCOCC1 ZINC000246806529 139122450 /nfs/dbraw/zinc/12/24/50/139122450.db2.gz BMILGBYXBRYGPH-NXHRZFHOSA-N 0 0 331.460 1.468 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccccc1OC ZINC000088817204 217771227 /nfs/dbraw/zinc/77/12/27/217771227.db2.gz WFNLSUBLJKKXMS-GFCCVEGCSA-N 0 0 343.387 1.439 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC000247102168 139135590 /nfs/dbraw/zinc/13/55/90/139135590.db2.gz IHFMHIJTOUYNGN-GFCCVEGCSA-N 0 0 325.375 1.050 10 0 EDAERN CCOCCN1CCN(CC(=O)N2CCCC[C@H]2CC)C[C@@H]1C ZINC000247197296 139139970 /nfs/dbraw/zinc/13/99/70/139139970.db2.gz ORVGKNHFQBNMHU-DLBZAZTESA-N 0 0 325.497 1.820 10 0 EDAERN O=C(c1cccnc1)N1CCN2C(=O)c3ccccc3NC(=O)[C@H]2C1 ZINC000004235936 296264552 /nfs/dbraw/zinc/26/45/52/296264552.db2.gz DEFMRRVJUNADOI-OAHLLOKOSA-N 0 0 336.351 1.001 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)NCc3ccccc3F)CCO2)[nH]1 ZINC000247237679 139141592 /nfs/dbraw/zinc/14/15/92/139141592.db2.gz XPYQBAJRGMTSCB-ABAIWWIYSA-N 0 0 347.394 1.330 10 0 EDAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000247373051 139146249 /nfs/dbraw/zinc/14/62/49/139146249.db2.gz UYICHLJWILKBRX-GOEBONIOSA-N 0 0 348.447 1.488 10 0 EDAERN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)N1CC(=O)Nc2ccccc21 ZINC000247350831 139145628 /nfs/dbraw/zinc/14/56/28/139145628.db2.gz YCVRRCFVMMBIMQ-IFXJQAMLSA-N 0 0 343.427 1.599 10 0 EDAERN O=C(Nc1nncs1)C1CCC(C(=O)Nc2nncs2)CC1 ZINC000247460658 139149211 /nfs/dbraw/zinc/14/92/11/139149211.db2.gz AQYMVRYOIRCUSV-UHFFFAOYSA-N 0 0 338.418 1.773 10 0 EDAERN CCc1nnc(CNC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)s1 ZINC000091574947 218023386 /nfs/dbraw/zinc/02/33/86/218023386.db2.gz FTKOQCQDPQVNIK-SNVBAGLBSA-N 0 0 334.376 1.982 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1ccccc1OC(F)(F)F ZINC000091780711 218064962 /nfs/dbraw/zinc/06/49/62/218064962.db2.gz OODBTNWMINETPI-LLVKDONJSA-N 0 0 346.305 1.231 10 0 EDAERN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091785544 218066089 /nfs/dbraw/zinc/06/60/89/218066089.db2.gz WCIFEKYWVLBDFE-WFASDCNBSA-N 0 0 334.416 1.464 10 0 EDAERN CCn1cc([C@H]2CN([C@H](C)C(=O)N3CCC(C)CC3)CCO2)cn1 ZINC000248698277 139172315 /nfs/dbraw/zinc/17/23/15/139172315.db2.gz DGVKPPGLJKUOOW-NVXWUHKLSA-N 0 0 334.464 1.923 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)C2=CCOCC2)c2cccs2)CCO1 ZINC000248827025 139176718 /nfs/dbraw/zinc/17/67/18/139176718.db2.gz DALQNKSWRXFHJI-UKRRQHHQSA-N 0 0 336.457 1.973 10 0 EDAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000092421380 218140274 /nfs/dbraw/zinc/14/02/74/218140274.db2.gz NXLDFZDHEMMXBP-JTQLQIEISA-N 0 0 332.187 1.118 10 0 EDAERN C[C@@H](CNC(=O)NCC1(C)Cc2ccccc2C1)N1CCOCC1 ZINC000094018289 218260508 /nfs/dbraw/zinc/26/05/08/218260508.db2.gz IKVYKIRJEBJDSQ-HNNXBMFYSA-N 0 0 331.460 1.811 10 0 EDAERN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=S)NC(C)=O)cc1 ZINC000009206856 211053872 /nfs/dbraw/zinc/05/38/72/211053872.db2.gz VXUDINPEUQVKIS-SECBINFHSA-N 0 0 329.447 1.596 10 0 EDAERN CCc1csc([C@@H]2CCCN([C@H](C)C(=O)NCC(=O)OC)C2)n1 ZINC000249876407 139199787 /nfs/dbraw/zinc/19/97/87/139199787.db2.gz LUUNBEPFOHHIKB-VXGBXAGGSA-N 0 0 339.461 1.563 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000251692825 139202454 /nfs/dbraw/zinc/20/24/54/139202454.db2.gz JNHQGFUIGHKMPG-XHSDSOJGSA-N 0 0 332.448 1.952 10 0 EDAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000253359508 139206125 /nfs/dbraw/zinc/20/61/25/139206125.db2.gz XJHJNLFUZJWUOT-XQQFMLRXSA-N 0 0 334.420 1.616 10 0 EDAERN O=CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000008381677 210944505 /nfs/dbraw/zinc/94/45/05/210944505.db2.gz BQCCIMLFVDMAJY-UHFFFAOYSA-N 0 0 330.409 1.816 10 0 EDAERN COCCNC(=O)CNc1ccc(I)cc1 ZINC000006911221 210741789 /nfs/dbraw/zinc/74/17/89/210741789.db2.gz MMPMHGUQOPHPOG-UHFFFAOYSA-N 0 0 334.157 1.466 10 0 EDAERN O=C1CCC2(CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)N1 ZINC000096093510 296316483 /nfs/dbraw/zinc/31/64/83/296316483.db2.gz CLVLUAFBXBFKOJ-UHFFFAOYSA-N 0 0 326.393 1.695 10 0 EDAERN CC(C)Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187925478 272953772 /nfs/dbraw/zinc/95/37/72/272953772.db2.gz WGKFHCINLXUXGT-UHFFFAOYSA-N 0 0 336.457 1.784 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000152454199 223966213 /nfs/dbraw/zinc/96/62/13/223966213.db2.gz ZFQZOIYVWITFAB-LBPRGKRZSA-N 0 0 348.790 1.912 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(O)c(F)c1 ZINC000152970882 224039164 /nfs/dbraw/zinc/03/91/64/224039164.db2.gz YHWUAYICAGGQRN-GFCCVEGCSA-N 0 0 349.366 1.604 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(F)c2)C[C@@H]1C ZINC000153350259 224091008 /nfs/dbraw/zinc/09/10/08/224091008.db2.gz JTCVXNQFPZHTFW-ZDUSSCGKSA-N 0 0 337.395 1.252 10 0 EDAERN Nc1c(NCCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000005900144 210555460 /nfs/dbraw/zinc/55/54/60/210555460.db2.gz GFEZZWHGFXCPLE-UHFFFAOYSA-N 0 0 336.395 1.822 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](C)c2ncc(C)s2)C[C@H]1C ZINC000174920188 532951052 /nfs/dbraw/zinc/95/10/52/532951052.db2.gz LHGNNDSJWDCXHQ-YPMHNXCESA-N 0 0 326.466 1.875 10 0 EDAERN COCCN1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)C[C@@H]1C ZINC000130467290 532955848 /nfs/dbraw/zinc/95/58/48/532955848.db2.gz SOTJYVLLCXFTAY-AWEZNQCLSA-N 0 0 344.419 1.452 10 0 EDAERN COc1ccccc1[C@@H](CNC(=O)[C@H]1CC(F)(F)CN1)N(C)C ZINC000263055749 139320032 /nfs/dbraw/zinc/32/00/32/139320032.db2.gz UYLHUAMNCOQEAZ-CHWSQXEVSA-N 0 0 327.375 1.411 10 0 EDAERN O=C(NCC1CCS(=O)(=O)CC1)N1CCC[C@@H]1c1ccco1 ZINC000153400030 224098285 /nfs/dbraw/zinc/09/82/85/224098285.db2.gz ZHWGGCHILVXLOH-CYBMUJFWSA-N 0 0 326.418 1.951 10 0 EDAERN Cc1nc(C)n(Cc2cccc(NC(=O)[C@H]3CC(F)(F)CN3)c2)n1 ZINC000263285401 139333261 /nfs/dbraw/zinc/33/32/61/139333261.db2.gz UXZGVPMFNHEDJJ-CQSZACIVSA-N 0 0 335.358 1.879 10 0 EDAERN Cc1ccc2oc(N3CCN(C(=O)CSCC(N)=O)CC3)nc2c1 ZINC000112404359 220320797 /nfs/dbraw/zinc/32/07/97/220320797.db2.gz QSMOZZVNZXGEKF-UHFFFAOYSA-N 0 0 348.428 1.003 10 0 EDAERN Cc1ccc2oc(N3CCN(C(=O)NCC(=O)N(C)C)CC3)nc2c1 ZINC000112387410 220315923 /nfs/dbraw/zinc/31/59/23/220315923.db2.gz LNGCZGVPEVFUEN-UHFFFAOYSA-N 0 0 345.403 1.056 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)N3CCS(=O)(=O)[C@@H](C)C3)c2)n[nH]1 ZINC000153589186 224127023 /nfs/dbraw/zinc/12/70/23/224127023.db2.gz VHDFJDUOWBYOOU-JTQLQIEISA-N 0 0 349.416 1.431 10 0 EDAERN CCc1ccc(C(=O)CCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112654014 220365859 /nfs/dbraw/zinc/36/58/59/220365859.db2.gz LZHRQNSFUXPXNJ-OAHLLOKOSA-N 0 0 326.400 1.935 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112660155 220366723 /nfs/dbraw/zinc/36/67/23/220366723.db2.gz VDJPHMNZUSRKBZ-CYBMUJFWSA-N 0 0 328.372 1.381 10 0 EDAERN COc1ccc(C)cc1CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112741157 220391945 /nfs/dbraw/zinc/39/19/45/220391945.db2.gz KIRBIYZQDPDODE-CQSZACIVSA-N 0 0 329.404 1.452 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)cn1 ZINC000116480372 220966423 /nfs/dbraw/zinc/96/64/23/220966423.db2.gz HXNKTQMVDMHDRK-GFCCVEGCSA-N 0 0 348.428 1.845 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)ccc1C(N)=O ZINC000116576493 220975229 /nfs/dbraw/zinc/97/52/29/220975229.db2.gz XGYKRTLTJLOADL-AWEZNQCLSA-N 0 0 341.367 1.989 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116588257 220975314 /nfs/dbraw/zinc/97/53/14/220975314.db2.gz XUPNZIMYSJTBAT-CQSZACIVSA-N 0 0 326.400 1.937 10 0 EDAERN CCOCCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117024103 221023105 /nfs/dbraw/zinc/02/31/05/221023105.db2.gz YQUQGZCNUWGOJU-KRWDZBQOSA-N 0 0 335.448 1.474 10 0 EDAERN Cc1noc(CCNC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000117042755 221026597 /nfs/dbraw/zinc/02/65/97/221026597.db2.gz LWBBZCIVWBYOLZ-AWEZNQCLSA-N 0 0 347.423 1.251 10 0 EDAERN Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)cc1 ZINC000116955812 221016080 /nfs/dbraw/zinc/01/60/80/221016080.db2.gz IBEJWKXQVIUDMA-GOSISDBHSA-N 0 0 347.459 1.878 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)Cc2ccccc2C)CCN1CCOC ZINC000117371660 221058804 /nfs/dbraw/zinc/05/88/04/221058804.db2.gz NPUCMHJTYJVZMG-QGZVFWFLSA-N 0 0 340.489 1.867 10 0 EDAERN COCCN1CCN(C(=O)NCCCN(C)c2ccccc2)C[C@H]1C ZINC000117470700 221066489 /nfs/dbraw/zinc/06/64/89/221066489.db2.gz NFDYWZDHLHWGDK-QGZVFWFLSA-N 0 0 348.491 1.875 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H]1C ZINC000117283865 221043081 /nfs/dbraw/zinc/04/30/81/221043081.db2.gz RYPMJTCWCOPBRK-CQSZACIVSA-N 0 0 344.415 1.919 10 0 EDAERN CCOCCN1CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C ZINC000117283563 221043929 /nfs/dbraw/zinc/04/39/29/221043929.db2.gz TZZZOEHXJDRPNC-CQSZACIVSA-N 0 0 327.469 1.108 10 0 EDAERN Cc1cnn(CCNC(=O)c2sc(-c3ncccn3)nc2C)c1 ZINC000117811915 221092095 /nfs/dbraw/zinc/09/20/95/221092095.db2.gz OASFGPDSEBDTIC-UHFFFAOYSA-N 0 0 328.401 1.843 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2cccnc2-n2ccnc2)c1 ZINC000118058908 221111090 /nfs/dbraw/zinc/11/10/90/221111090.db2.gz HPSDHWQNMFQXFT-UHFFFAOYSA-N 0 0 325.376 1.272 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000118075578 221111593 /nfs/dbraw/zinc/11/15/93/221111593.db2.gz VWRMCTJCVVLRRA-CQSZACIVSA-N 0 0 345.378 1.435 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000118115184 221119589 /nfs/dbraw/zinc/11/95/89/221119589.db2.gz QIIXKFTYMGLOLO-ZDUSSCGKSA-N 0 0 333.432 1.369 10 0 EDAERN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115456 221122087 /nfs/dbraw/zinc/12/20/87/221122087.db2.gz GFSGDOUPCDAEAP-LBPRGKRZSA-N 0 0 325.796 1.034 10 0 EDAERN CCc1nn(C)c(CN2C(=O)[C@H](C)[C@@H](C)C2=O)c1Br ZINC000118377900 221144492 /nfs/dbraw/zinc/14/44/92/221144492.db2.gz FEFPKZZYJSQOPH-HTQZYQBOSA-N 0 0 328.210 1.886 10 0 EDAERN COC(=O)CCCS(=O)(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000118432304 221149403 /nfs/dbraw/zinc/14/94/03/221149403.db2.gz WFSSCNBOUOGISN-ZDUSSCGKSA-N 0 0 343.449 1.457 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2c(CC)noc2CC)C[C@H]1C ZINC000119029923 221227551 /nfs/dbraw/zinc/22/75/51/221227551.db2.gz ICTADCYJZQZXLE-CQSZACIVSA-N 0 0 337.464 1.911 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@]1(CCO)CCOC1)C(C)C ZINC000119067712 221236619 /nfs/dbraw/zinc/23/66/19/221236619.db2.gz OKNFNVJPHVHLCP-NVXWUHKLSA-N 0 0 328.453 1.079 10 0 EDAERN CCOC(=O)c1c(C)oc2nc(CN[C@@H](C)[C@@H]3CCCO3)nc(N)c21 ZINC000119255686 221277584 /nfs/dbraw/zinc/27/75/84/221277584.db2.gz LFYKRFCAJQVSBG-ONGXEEELSA-N 0 0 348.403 1.947 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2nccn2C)cs1 ZINC000119213853 221268462 /nfs/dbraw/zinc/26/84/62/221268462.db2.gz IXXHPTVMROXKAF-VIFPVBQESA-N 0 0 345.384 1.894 10 0 EDAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119725555 221386409 /nfs/dbraw/zinc/38/64/09/221386409.db2.gz RAAAOITYIUVFAA-YJBOKZPZSA-N 0 0 341.415 1.494 10 0 EDAERN CNC(=O)COc1cccc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000119857140 221418523 /nfs/dbraw/zinc/41/85/23/221418523.db2.gz CRLYDRSXDTWQIC-IAGOWNOFSA-N 0 0 346.427 1.524 10 0 EDAERN O=C(Nc1n[nH]c(SCCO)n1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000155327505 224398319 /nfs/dbraw/zinc/39/83/19/224398319.db2.gz VAHCNMXVAVJGBY-RKDXNWHRSA-N 0 0 340.355 1.910 10 0 EDAERN Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(c1ncccn1)C2 ZINC000248133647 257663585 /nfs/dbraw/zinc/66/35/85/257663585.db2.gz NVAIQIAIDIWKAK-CQSZACIVSA-N 0 0 341.415 1.231 10 0 EDAERN COC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C)c(F)c1)C2 ZINC000248135457 257663843 /nfs/dbraw/zinc/66/38/43/257663843.db2.gz ZEXILYICPPURHB-CYBMUJFWSA-N 0 0 341.404 1.410 10 0 EDAERN Cc1nnc([C@]23CCO[C@H]2CCN(S(=O)(=O)c2ccccc2)C3)o1 ZINC000248029914 257668264 /nfs/dbraw/zinc/66/82/64/257668264.db2.gz PBLSTKKZNWQLDV-HOCLYGCPSA-N 0 0 349.412 1.499 10 0 EDAERN Cn1nccc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000248026479 257669317 /nfs/dbraw/zinc/66/93/17/257669317.db2.gz JQFDVZWDPQEUEB-RDTXWAMCSA-N 0 0 342.399 1.658 10 0 EDAERN Cc1nnc(N2C[C@@H]3OC[C@H](CNC(=O)c4cccnc4)[C@@H]3C2)s1 ZINC000247999425 257670292 /nfs/dbraw/zinc/67/02/92/257670292.db2.gz DZXSAKOHEAPKLS-IHRRRGAJSA-N 0 0 345.428 1.123 10 0 EDAERN COC(=O)C1CCC(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 ZINC000179452234 533277585 /nfs/dbraw/zinc/27/75/85/533277585.db2.gz LYJVAOQNAAUEQP-UHFFFAOYSA-N 0 0 343.387 1.795 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](OC)c1ccccc1 ZINC000155189905 533284575 /nfs/dbraw/zinc/28/45/75/533284575.db2.gz ILHYYUPWFIIHMD-DZGCQCFKSA-N 0 0 330.388 1.763 10 0 EDAERN COc1cccc(-c2cc(C(=O)NC[C@@H](C)N3CCOCC3)[nH]n2)c1 ZINC000129404515 533368696 /nfs/dbraw/zinc/36/86/96/533368696.db2.gz YQVCBXZMKUHYRX-CYBMUJFWSA-N 0 0 344.415 1.536 10 0 EDAERN CS(=O)(=O)NC1CCN(C(=O)c2cc(N)cc(Cl)c2)CC1 ZINC000165488039 533395708 /nfs/dbraw/zinc/39/57/08/533395708.db2.gz LXMGKAUEJBFGDI-UHFFFAOYSA-N 0 0 331.825 1.076 10 0 EDAERN CS(=O)(=O)[C@@H]1CCC[C@H](S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165450762 533430371 /nfs/dbraw/zinc/43/03/71/533430371.db2.gz MEIURILREIHTKO-MNOVXSKESA-N 0 0 335.422 1.537 10 0 EDAERN COc1cccc(CO[C@@H](C)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177577427 533527641 /nfs/dbraw/zinc/52/76/41/533527641.db2.gz HRKPKDCYBAFIBP-SWLSCSKDSA-N 0 0 330.388 1.843 10 0 EDAERN COc1cc(C)cc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000133079642 533632870 /nfs/dbraw/zinc/63/28/70/533632870.db2.gz MLUFASKVKNXNQL-KRWDZBQOSA-N 0 0 344.415 1.811 10 0 EDAERN CCNC(=O)[C@H]1Cc2ccccc2N2CCN(c3cnccn3)C[C@H]12 ZINC000035870142 132390623 /nfs/dbraw/zinc/39/06/23/132390623.db2.gz UTMPKQYQPSJSLV-DOTOQJQBSA-N 0 0 337.427 1.480 10 0 EDAERN O=C(Nc1ccncc1)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 ZINC000062163677 132435422 /nfs/dbraw/zinc/43/54/22/132435422.db2.gz PXCDTHJAIQYQCY-AWEZNQCLSA-N 0 0 349.398 1.912 10 0 EDAERN O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118671905 135521928 /nfs/dbraw/zinc/52/19/28/135521928.db2.gz ICRJVRNTLVOVTL-CABCVRRESA-N 0 0 334.420 1.147 10 0 EDAERN Cc1cc(COCC(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)on1 ZINC000328759078 140673623 /nfs/dbraw/zinc/67/36/23/140673623.db2.gz WDKCGIFSIQQELD-GFCCVEGCSA-N 0 0 333.392 1.818 10 0 EDAERN C[C@H](C(=O)N1CCC[C@H]1Cn1cnc2ccccc21)N1CCOCC1 ZINC000328783578 140675090 /nfs/dbraw/zinc/67/50/90/140675090.db2.gz GMEYUDZPYTUBFO-CVEARBPZSA-N 0 0 342.443 1.748 10 0 EDAERN O=C(c1ncncc1Cl)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000329117569 140696675 /nfs/dbraw/zinc/69/66/75/140696675.db2.gz UOIOPQNZYFRONF-UHFFFAOYSA-N 0 0 343.836 1.704 10 0 EDAERN Cn1cnc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)cnc21 ZINC000329308059 140706601 /nfs/dbraw/zinc/70/66/01/140706601.db2.gz ZMABHPBWRBQJFI-CYBMUJFWSA-N 0 0 341.415 1.443 10 0 EDAERN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CC(O)(C3CC3)C2)CC1=O ZINC000329921149 140782189 /nfs/dbraw/zinc/78/21/89/140782189.db2.gz HKOOELMJUQMVKG-ZDUSSCGKSA-N 0 0 344.411 1.340 10 0 EDAERN C[C@@H]1OCC[C@]12CN(C(=O)NCCC1CCOCC1)C[C@@H](C)O2 ZINC000333148586 141272411 /nfs/dbraw/zinc/27/24/11/141272411.db2.gz AFWKDEQOKZAUPT-KEYYUXOJSA-N 0 0 326.437 1.781 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000333180237 141276770 /nfs/dbraw/zinc/27/67/70/141276770.db2.gz MLYAVVPYZAYGOL-HNNXBMFYSA-N 0 0 346.475 1.848 10 0 EDAERN Cc1n[nH]c(=O)c(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1C ZINC000333247053 141287576 /nfs/dbraw/zinc/28/75/76/141287576.db2.gz JNACMSLDMIIHIX-OLZOCXBDSA-N 0 0 332.404 1.320 10 0 EDAERN CN(C[C@H]1CCCN(c2cnc3c(n2)CCCC3)C1)S(C)(=O)=O ZINC000333472183 141322900 /nfs/dbraw/zinc/32/29/00/141322900.db2.gz DLUXQTNGSBIYTJ-CYBMUJFWSA-N 0 0 338.477 1.463 10 0 EDAERN CN(CC1CC(O)C1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000333578027 141340078 /nfs/dbraw/zinc/34/00/78/141340078.db2.gz VECIHEGBNCEZGA-BCLQGDPASA-N 0 0 337.464 1.722 10 0 EDAERN CCOC(=O)[C@@H]1[C@@H](c2ccncc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000035023093 285890871 /nfs/dbraw/zinc/89/08/71/285890871.db2.gz ISCFPDWNQQKEQN-YGOYTEALSA-N 0 0 349.334 1.031 10 0 EDAERN COc1cccc(O[C@H](C)CNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177358927 533675037 /nfs/dbraw/zinc/67/50/37/533675037.db2.gz CPAZXDNIGLZYRP-DOMZBBRYSA-N 0 0 345.403 1.888 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NCCNC(=O)c1ccco1 ZINC000174924115 148939696 /nfs/dbraw/zinc/93/96/96/148939696.db2.gz FJCDTBHKRVJNCO-AWEZNQCLSA-N 0 0 345.399 1.914 10 0 EDAERN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189226746 287147887 /nfs/dbraw/zinc/14/78/87/287147887.db2.gz TYEYVWATWRQPLW-ORAYPTAESA-N 0 0 330.428 1.668 10 0 EDAERN COCCNC(=O)[C@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000065266132 292556314 /nfs/dbraw/zinc/55/63/14/292556314.db2.gz SKNKNIIWCIAQPM-MRXNPFEDSA-N 0 0 345.443 1.867 10 0 EDAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NC[C@@H](C)Cn1ccnc1C ZINC000073949742 287266350 /nfs/dbraw/zinc/26/63/50/287266350.db2.gz DQCMPHQDQGXULO-GDBMZVCRSA-N 0 0 349.479 1.870 10 0 EDAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1nnc(Cl)s1 ZINC000157217260 224788616 /nfs/dbraw/zinc/78/86/16/224788616.db2.gz GREUESUVHOFZMY-LURJTMIESA-N 0 0 328.747 1.806 10 0 EDAERN Cc1nc(-c2c[nH]c(C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)c2)cs1 ZINC000157534097 224844797 /nfs/dbraw/zinc/84/47/97/224844797.db2.gz CZMVZSJJHWKWOD-OQPBUACISA-N 0 0 334.401 1.161 10 0 EDAERN C[C@H]1OCC[C@@H]1N(C)S(=O)(=O)CCSc1ccc(N)cc1 ZINC000157912817 224911703 /nfs/dbraw/zinc/91/17/03/224911703.db2.gz SBXBLEAKZIZSNN-RISCZKNCSA-N 0 0 330.475 1.800 10 0 EDAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](CO)c3ccccc3)cc12 ZINC000158467795 225021307 /nfs/dbraw/zinc/02/13/07/225021307.db2.gz RZDFLGQBIIOSMQ-OAHLLOKOSA-N 0 0 346.412 1.289 10 0 EDAERN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CNC(=O)C1 ZINC000121033809 287367358 /nfs/dbraw/zinc/36/73/58/287367358.db2.gz WUEZHRNJACHSAF-GFCCVEGCSA-N 0 0 329.331 1.110 10 0 EDAERN C[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)c1nnc2n1CCCC2 ZINC000121703217 287373811 /nfs/dbraw/zinc/37/38/11/287373811.db2.gz WYNWRKSWZYFPHP-VXGBXAGGSA-N 0 0 328.438 1.164 10 0 EDAERN C[C@H]1OCC[C@@H]1N(C)C(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000161862809 225705104 /nfs/dbraw/zinc/70/51/04/225705104.db2.gz QLIVXORLXKYIFS-PELKAZGASA-N 0 0 332.809 1.237 10 0 EDAERN CS(=O)(=O)CC[C@H](N)C(=O)c1ccccc1OC(F)(F)F ZINC000167091130 226180413 /nfs/dbraw/zinc/18/04/13/226180413.db2.gz DUYRIQJTIYGSEF-VIFPVBQESA-N 0 0 325.308 1.530 10 0 EDAERN CCS(=O)(=O)CCCn1cc(N)c(C)c(Br)c1=O ZINC000165384042 226123660 /nfs/dbraw/zinc/12/36/60/226123660.db2.gz JWGCIFBMLOPXGW-UHFFFAOYSA-N 0 0 337.239 1.326 10 0 EDAERN C[C@@H](Cn1c2cccc(S(C)(=O)=O)c2[nH]c1=S)[S@@](C)=O ZINC000165560956 226128841 /nfs/dbraw/zinc/12/88/41/226128841.db2.gz ILASPAWUWRAEBF-RLBGWGEZSA-N 0 0 332.472 1.496 10 0 EDAERN O=C([O-])c1cc(S(=O)(=O)NC2CC[NH2+]CC2)cc(F)c1Cl ZINC000165607028 226130657 /nfs/dbraw/zinc/13/06/57/226130657.db2.gz DBUQPGKACOLFJC-UHFFFAOYSA-N 0 0 336.772 1.208 10 0 EDAERN Nc1cc(Br)ccc1[S@@](=O)[C@@H]1CCS(=O)(=O)C1 ZINC000165726455 226134151 /nfs/dbraw/zinc/13/41/51/226134151.db2.gz ALSCLRNCVLEGBE-VPTHRUTESA-N 0 0 338.248 1.326 10 0 EDAERN Nc1cc(Br)ccc1[S@@](=O)[C@H]1CCS(=O)(=O)C1 ZINC000165726706 226134224 /nfs/dbraw/zinc/13/42/24/226134224.db2.gz ALSCLRNCVLEGBE-ZKANADHPSA-N 0 0 338.248 1.326 10 0 EDAERN C[C@H](O)[C@@H]1CCN(S(=O)(=O)CCSc2cccc(N)c2)C1 ZINC000167599792 226195117 /nfs/dbraw/zinc/19/51/17/226195117.db2.gz VPNMUYNZLHUNPQ-NWDGAFQWSA-N 0 0 330.475 1.393 10 0 EDAERN C[C@@H]1CO[C@@H](CO)CN1CC(=O)c1sccc1Br ZINC000168209370 226209155 /nfs/dbraw/zinc/20/91/55/226209155.db2.gz YOKPDXMRSPRZPU-RKDXNWHRSA-N 0 0 334.235 1.775 10 0 EDAERN Nc1ccc(-c2nnnn2C[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000168690425 226220614 /nfs/dbraw/zinc/22/06/14/226220614.db2.gz LVQDWIOLQJUNNU-QMMMGPOBSA-N 0 0 327.797 1.010 10 0 EDAERN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCOC[C@@H]1CO ZINC000168677334 226221729 /nfs/dbraw/zinc/22/17/29/226221729.db2.gz MMTBZVNXFLBUJO-VIFPVBQESA-N 0 0 326.201 1.375 10 0 EDAERN O=C(CNC(=O)c1cccc(Cl)c1)N1CCC[C@H](n2cncn2)C1 ZINC000170896468 226787670 /nfs/dbraw/zinc/78/76/70/226787670.db2.gz AYYUCFOABNZJBV-AWEZNQCLSA-N 0 0 347.806 1.525 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(O)c1 ZINC000171400521 227062290 /nfs/dbraw/zinc/06/22/90/227062290.db2.gz RUUKCDHVPYCVOS-NVXWUHKLSA-N 0 0 346.427 1.991 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccnc(OCC(F)(F)F)c1 ZINC000120286485 221536798 /nfs/dbraw/zinc/53/67/98/221536798.db2.gz OUOPWCIZKIRLOY-SNVBAGLBSA-N 0 0 341.293 1.359 10 0 EDAERN Cn1cnnc1[C@H]1CCCN1C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000120405602 221569106 /nfs/dbraw/zinc/56/91/06/221569106.db2.gz OGBCWBRGWPGZFS-QWHCGFSZSA-N 0 0 349.435 1.736 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C)oc3c2)C1 ZINC000121283449 221805854 /nfs/dbraw/zinc/80/58/54/221805854.db2.gz YAGJKIAUKMEMOV-CYBMUJFWSA-N 0 0 344.371 1.202 10 0 EDAERN CC(C)S(=O)(=O)CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121526453 221865646 /nfs/dbraw/zinc/86/56/46/221865646.db2.gz PCFNCJXWJVXEON-SWLSCSKDSA-N 0 0 333.400 1.896 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000121699273 221909138 /nfs/dbraw/zinc/90/91/38/221909138.db2.gz ZGQATIFRYRQGNF-ZDUSSCGKSA-N 0 0 345.378 1.878 10 0 EDAERN C[C@H](c1cn(-c2ccccc2)nn1)N1CCN(c2cnccn2)CC1 ZINC000122521390 222104300 /nfs/dbraw/zinc/10/43/00/222104300.db2.gz CWAGDCPNSBSTEG-OAHLLOKOSA-N 0 0 335.415 1.941 10 0 EDAERN Cc1oncc1CN1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000128549054 287459922 /nfs/dbraw/zinc/45/99/22/287459922.db2.gz SWOJNSXYMIVPQJ-UHFFFAOYSA-N 0 0 327.392 1.290 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000122287947 222052971 /nfs/dbraw/zinc/05/29/71/222052971.db2.gz VJPMZWHQERLAKE-JHJVBQTASA-N 0 0 349.435 1.403 10 0 EDAERN C[C@H](NC(=O)NCCNc1nccc(C(F)(F)F)n1)[C@@H]1CCCO1 ZINC000122816476 222164048 /nfs/dbraw/zinc/16/40/48/222164048.db2.gz XVYNRDHGHZNNTL-UWVGGRQHSA-N 0 0 347.341 1.774 10 0 EDAERN CC(C)CS(=O)(=O)CC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123271792 222246953 /nfs/dbraw/zinc/24/69/53/222246953.db2.gz XRJFJLQEWSKZPN-CQSZACIVSA-N 0 0 326.418 1.132 10 0 EDAERN COCCC1(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)CCC1 ZINC000123814208 222336188 /nfs/dbraw/zinc/33/61/88/222336188.db2.gz LKEAWJVTXLNVFS-HNNXBMFYSA-N 0 0 333.432 1.589 10 0 EDAERN O=C(Nc1cccnc1OCC(F)F)N[C@H]1CCCn2ncnc21 ZINC000123588140 222302519 /nfs/dbraw/zinc/30/25/19/222302519.db2.gz NVUVGODOVSUZCS-VIFPVBQESA-N 0 0 338.318 1.974 10 0 EDAERN COc1c(CN2CCN(Cc3csc(C)n3)CC2)c(C)nn1C ZINC000123951314 222356644 /nfs/dbraw/zinc/35/66/44/222356644.db2.gz FOHCDWZJSIPRIJ-UHFFFAOYSA-N 0 0 335.477 1.820 10 0 EDAERN Cn1nccc1C1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000124246004 222398167 /nfs/dbraw/zinc/39/81/67/222398167.db2.gz KSHSWTMYQUSUJY-UHFFFAOYSA-N 0 0 342.399 1.304 10 0 EDAERN C[C@H]1CN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CCS1 ZINC000171689289 227223414 /nfs/dbraw/zinc/22/34/14/227223414.db2.gz UXUAZKAKHMLNRV-ZDUSSCGKSA-N 0 0 347.484 1.632 10 0 EDAERN O=C(CNC(=O)N1CCC(Cn2cccn2)CC1)N1CCCCC1 ZINC000172355166 227649705 /nfs/dbraw/zinc/64/97/05/227649705.db2.gz ZWRQPMBCYMFFAH-UHFFFAOYSA-N 0 0 333.436 1.317 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCCN3CCOC3=O)CC2)cn1 ZINC000172581457 227776581 /nfs/dbraw/zinc/77/65/81/227776581.db2.gz LGLBCZZMQOJPOD-UHFFFAOYSA-N 0 0 349.435 1.634 10 0 EDAERN CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000134924040 287562322 /nfs/dbraw/zinc/56/23/22/287562322.db2.gz LLMQSLKOGZJODM-NSHDSACASA-N 0 0 339.823 1.749 10 0 EDAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)C1(C)C ZINC000153208347 287622468 /nfs/dbraw/zinc/62/24/68/287622468.db2.gz KJPAYZXNARUDCW-IXDOHACOSA-N 0 0 347.459 1.979 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000173953176 533685527 /nfs/dbraw/zinc/68/55/27/533685527.db2.gz OQZQDBCYNZKOGH-UONOGXRCSA-N 0 0 328.416 1.604 10 0 EDAERN CCN(C(=O)N[C@H](CC(C)C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000194194005 273000937 /nfs/dbraw/zinc/00/09/37/273000937.db2.gz LVDQUWVJLDJXHR-ZIAGYGMSSA-N 0 0 333.498 1.181 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)C(C)C ZINC000178589746 267572337 /nfs/dbraw/zinc/57/23/37/267572337.db2.gz HPIDHONFSFVKCD-CYBMUJFWSA-N 0 0 334.420 1.474 10 0 EDAERN CS(=O)(=O)CCOCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000153196650 272927580 /nfs/dbraw/zinc/92/75/80/272927580.db2.gz ZQYJUZBVEOEJJN-RYUDHWBXSA-N 0 0 347.383 1.246 10 0 EDAERN Cc1cnn(CCNC(=O)NCCc2nnc(-c3ccccc3)o2)c1 ZINC000159005842 272929501 /nfs/dbraw/zinc/92/95/01/272929501.db2.gz IDSZHWBESQZJPZ-UHFFFAOYSA-N 0 0 340.387 1.783 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCC[C@@H](O)C2)C1 ZINC000247207273 287759793 /nfs/dbraw/zinc/75/97/93/287759793.db2.gz CBZIFMHGMBSNKZ-HZSPNIEDSA-N 0 0 326.437 1.911 10 0 EDAERN CN(Cc1cnccn1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179490926 276997892 /nfs/dbraw/zinc/99/78/92/276997892.db2.gz FZTSVXRXBLJOTD-DOTOQJQBSA-N 0 0 342.374 1.794 10 0 EDAERN CC(=O)N1CCc2cc(C(=O)N[C@H]3CCCn4ncnc43)ccc21 ZINC000177537512 277011803 /nfs/dbraw/zinc/01/18/03/277011803.db2.gz DJRTVCVBEGWDMM-AWEZNQCLSA-N 0 0 325.372 1.452 10 0 EDAERN COC(=O)CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000124755522 277056065 /nfs/dbraw/zinc/05/60/65/277056065.db2.gz DKRKFPMMCOLFKP-XJKSGUPXSA-N 0 0 336.363 1.415 10 0 EDAERN CN1CCO[C@@H](c2nc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)no2)C1 ZINC000333655740 277120053 /nfs/dbraw/zinc/12/00/53/277120053.db2.gz KOSSXXNOTFNOBF-CYBMUJFWSA-N 0 0 344.371 1.849 10 0 EDAERN CC(=O)NC1(C(=O)N2CCO[C@H](c3nccs3)C2)CCCCC1 ZINC000110873532 278080347 /nfs/dbraw/zinc/08/03/47/278080347.db2.gz CCOQYVHRLZMZQF-ZDUSSCGKSA-N 0 0 337.445 1.882 10 0 EDAERN CC(C)n1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000333044110 278124012 /nfs/dbraw/zinc/12/40/12/278124012.db2.gz AZYCFGXIYMKOQJ-ARFHVFGLSA-N 0 0 349.479 1.867 10 0 EDAERN CC1(C)CN(c2cncc(-n3cccn3)n2)C[C@@]2(CCCOC2)O1 ZINC000330070015 278344620 /nfs/dbraw/zinc/34/46/20/278344620.db2.gz HSJZPXHNGSXSLH-QGZVFWFLSA-N 0 0 329.404 1.827 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)C(=O)[O-] ZINC000185056898 278943771 /nfs/dbraw/zinc/94/37/71/278943771.db2.gz IOFJETXOTDEKLK-AWEZNQCLSA-N 0 0 334.420 1.853 10 0 EDAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172756956 279308350 /nfs/dbraw/zinc/30/83/50/279308350.db2.gz GPZBNLGQCJUZCM-JTQLQIEISA-N 0 0 332.231 1.879 10 0 EDAERN Cn1nccc1NC(=O)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000155116351 279421436 /nfs/dbraw/zinc/42/14/36/279421436.db2.gz IWKKQJDSOGKQGM-LBPRGKRZSA-N 0 0 328.372 1.777 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000112653542 279922946 /nfs/dbraw/zinc/92/29/46/279922946.db2.gz NZSQNKPBUSTSHC-SECBINFHSA-N 0 0 339.168 1.925 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)Oc3cc(F)ccc32)C[C@H](C)O1 ZINC000172898615 288235774 /nfs/dbraw/zinc/23/57/74/288235774.db2.gz VNHPOYZWRQGKKX-TUAOUCFPSA-N 0 0 344.408 1.767 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1noc2c1CCCCC2 ZINC000329740883 289048372 /nfs/dbraw/zinc/04/83/72/289048372.db2.gz VPGLADBMHSWJNV-UKRRQHHQSA-N 0 0 333.432 1.879 10 0 EDAERN COCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171399754 293317718 /nfs/dbraw/zinc/31/77/18/293317718.db2.gz RSGWFBFNYFQEIJ-MRXNPFEDSA-N 0 0 342.399 1.869 10 0 EDAERN Cn1ccc(N2CCC[C@@H](N3CCCc4c(N)cccc43)C2=O)n1 ZINC000261740169 294346122 /nfs/dbraw/zinc/34/61/22/294346122.db2.gz IJLIKSADPOAIEF-MRXNPFEDSA-N 0 0 325.416 1.951 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000091781430 295158700 /nfs/dbraw/zinc/15/87/00/295158700.db2.gz ATMGIGPQGADDBV-SNVBAGLBSA-N 0 0 347.596 1.429 10 0 EDAERN CS(=O)(=O)c1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119635070 295559579 /nfs/dbraw/zinc/55/95/79/295559579.db2.gz FRPLHJCANIUEKW-SUMWQHHRSA-N 0 0 337.441 1.857 10 0 EDAERN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000173999436 301195821 /nfs/dbraw/zinc/19/58/21/301195821.db2.gz POSVEIHJYCVIOI-MRXNPFEDSA-N 0 0 338.473 1.707 10 0 EDAERN NC(=O)[C@@H]1COCCN1CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000245727029 303308310 /nfs/dbraw/zinc/30/83/10/303308310.db2.gz DVXDOWRDXHWNEA-WMZOPIPTSA-N 0 0 345.443 1.220 10 0 EDAERN COc1ccc(/C=C\C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1O ZINC000492683969 305596878 /nfs/dbraw/zinc/59/68/78/305596878.db2.gz XMROVBPHJZTKDG-ZQMJAJRESA-N 0 0 342.399 1.944 10 0 EDAERN C[C@@H]1CN(C(=O)c2ncc3c(F)cccn32)C[C@@H]1N1CCOCC1 ZINC000528694740 305885046 /nfs/dbraw/zinc/88/50/46/305885046.db2.gz GTANTMQBFBTDAZ-DOMZBBRYSA-N 0 0 332.379 1.266 10 0 EDAERN Cc1ccc(C)c(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)c1C ZINC000187980688 533696387 /nfs/dbraw/zinc/69/63/87/533696387.db2.gz VZZIDYDWDFCAKK-KRWDZBQOSA-N 0 0 332.444 1.562 10 0 EDAERN CCOC(=O)C(C(=O)OCC)c1cc(OC)c(OC)c(OC)c1 ZINC000002525566 440864146 /nfs/dbraw/zinc/86/41/46/440864146.db2.gz NGQMPJLAVXJZAZ-UHFFFAOYSA-N 0 0 326.345 1.922 10 0 EDAERN NC(=O)c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000044697872 440873101 /nfs/dbraw/zinc/87/31/01/440873101.db2.gz UHOUQUAZMZDIDA-CQSZACIVSA-N 0 0 344.392 1.434 10 0 EDAERN CCc1nnc(NC(=O)C(=O)c2cc(C)n(CCOC)c2C)s1 ZINC000006800412 441014747 /nfs/dbraw/zinc/01/47/47/441014747.db2.gz LLBFPUXFEAVAII-UHFFFAOYSA-N 0 0 336.417 1.987 10 0 EDAERN O=S(=O)(Nc1ccn(Cc2ccccn2)n1)N1CCCCCC1 ZINC000070007282 441102596 /nfs/dbraw/zinc/10/25/96/441102596.db2.gz USNTWETWMLUTDV-UHFFFAOYSA-N 0 0 335.433 1.859 10 0 EDAERN COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000046262300 441096320 /nfs/dbraw/zinc/09/63/20/441096320.db2.gz KVVOFFYUCRVEGY-OLZOCXBDSA-N 0 0 339.411 1.915 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)o1 ZINC000080145193 441144922 /nfs/dbraw/zinc/14/49/22/441144922.db2.gz CKJUSGXHTURRDZ-VIFPVBQESA-N 0 0 333.319 1.642 10 0 EDAERN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCCCC1 ZINC000015674734 441207670 /nfs/dbraw/zinc/20/76/70/441207670.db2.gz WJOIMBXUZDDWNE-UHFFFAOYSA-N 0 0 339.461 1.826 10 0 EDAERN CCn1ccnc1CS(=O)(=O)Cc1nc(CCC(C)C)no1 ZINC000105523488 441257579 /nfs/dbraw/zinc/25/75/79/441257579.db2.gz ZPIFWDRAEVIBGT-UHFFFAOYSA-N 0 0 326.422 1.990 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000081451079 441271760 /nfs/dbraw/zinc/27/17/60/441271760.db2.gz MGOLKIULZHMHPY-NSHDSACASA-N 0 0 331.376 1.465 10 0 EDAERN O=c1cc(CN2CCC(Nc3cccnn3)CC2)nc2sccn21 ZINC000105804501 441274768 /nfs/dbraw/zinc/27/47/68/441274768.db2.gz WINNVPGURPGMME-UHFFFAOYSA-N 0 0 342.428 1.623 10 0 EDAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000081488358 441276647 /nfs/dbraw/zinc/27/66/47/441276647.db2.gz HAUJZWLTUCWECE-DLBZAZTESA-N 0 0 347.459 1.885 10 0 EDAERN Cc1ncc(CN2CCN(CC(=O)Nc3nccs3)CC2)s1 ZINC000105814115 441277111 /nfs/dbraw/zinc/27/71/11/441277111.db2.gz NHZYVOMCAQPSPY-UHFFFAOYSA-N 0 0 337.474 1.664 10 0 EDAERN CC(C)c1noc([C@H](C)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000105817139 441278135 /nfs/dbraw/zinc/27/81/35/441278135.db2.gz ZQDAHNQGFVTOOW-LBPRGKRZSA-N 0 0 342.407 1.514 10 0 EDAERN COCCN1CCN(CC(=O)N(C)Cc2ccccc2OC)C[C@H]1C ZINC000105832383 441286215 /nfs/dbraw/zinc/28/62/15/441286215.db2.gz QFKYTKMAROWSHA-MRXNPFEDSA-N 0 0 349.475 1.306 10 0 EDAERN CCOCCN1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C[C@@H]1C ZINC000105835457 441289353 /nfs/dbraw/zinc/28/93/53/441289353.db2.gz RIXQVUQQLNQZKP-HOTGVXAUSA-N 0 0 337.508 1.819 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)CCn3c(C)csc3=O)C2)c1 ZINC000105858082 441293327 /nfs/dbraw/zinc/29/33/27/441293327.db2.gz AKNWFBRSIBVFJN-AWEZNQCLSA-N 0 0 334.445 1.977 10 0 EDAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCn3nc(C)nc32)C1 ZINC000081589037 441293530 /nfs/dbraw/zinc/29/35/30/441293530.db2.gz UNXRFPYHGLRAML-OLZOCXBDSA-N 0 0 335.408 1.406 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000048699680 441325323 /nfs/dbraw/zinc/32/53/23/441325323.db2.gz UGQNUHBNNUIEGB-VIFPVBQESA-N 0 0 348.371 1.782 10 0 EDAERN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000106152402 441327789 /nfs/dbraw/zinc/32/77/89/441327789.db2.gz LPTZVIDUUVNYDN-GJZGRUSLSA-N 0 0 349.479 1.691 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@@H](C)C(=O)NCC(C)C)CC2)n1 ZINC000106153835 441328166 /nfs/dbraw/zinc/32/81/66/441328166.db2.gz UFCQQYYESODMIA-HNNXBMFYSA-N 0 0 349.479 1.466 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cc2coc3cc(OC)ccc23)CC1 ZINC000106393601 441337111 /nfs/dbraw/zinc/33/71/11/441337111.db2.gz JYWHHXUSTLZILF-HNNXBMFYSA-N 0 0 346.427 1.899 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cn(-c3ccccc3)nc2C)CC1 ZINC000106396965 441338334 /nfs/dbraw/zinc/33/83/34/441338334.db2.gz WXKPMIOPPOMMMV-KRWDZBQOSA-N 0 0 342.443 1.709 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000106403316 441341492 /nfs/dbraw/zinc/34/14/92/441341492.db2.gz XSEFWWPQFLGVSO-OAHLLOKOSA-N 0 0 328.416 1.605 10 0 EDAERN CCOc1ccnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1 ZINC000105868388 441298628 /nfs/dbraw/zinc/29/86/28/441298628.db2.gz SRCWLHNLPGZLKF-UHFFFAOYSA-N 0 0 341.415 1.636 10 0 EDAERN COc1ccc(NC(=O)CN2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000105891564 441309912 /nfs/dbraw/zinc/30/99/12/441309912.db2.gz ZXPFSAFHKPPGEK-KRWDZBQOSA-N 0 0 344.415 1.540 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN([C@@H](C)C(=O)NCCC(C)C)CCO2)n1 ZINC000105893581 441310948 /nfs/dbraw/zinc/31/09/48/441310948.db2.gz KGUMZNUAKVYRML-DLBZAZTESA-N 0 0 336.480 1.752 10 0 EDAERN C[NH+](C)C[C@H]1CN(CC(=O)Nc2ccccc2OC(F)F)CCO1 ZINC000105927452 441317347 /nfs/dbraw/zinc/31/73/47/441317347.db2.gz UFYHNCXLHXFWMW-LBPRGKRZSA-N 0 0 343.374 1.489 10 0 EDAERN C[C@H](C(=O)N1CCCc2ccccc21)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925861 441317431 /nfs/dbraw/zinc/31/74/31/441317431.db2.gz LZFBCMLQLMJKDV-NVXWUHKLSA-N 0 0 331.460 1.617 10 0 EDAERN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105927357 441317453 /nfs/dbraw/zinc/31/74/53/441317453.db2.gz ORFVESIFALNUDF-SJLPKXTDSA-N 0 0 333.476 1.686 10 0 EDAERN CSc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000105925994 441317734 /nfs/dbraw/zinc/31/77/34/441317734.db2.gz ZXFULXCYHRQHAZ-DZGCQCFKSA-N 0 0 337.489 1.998 10 0 EDAERN CC[C@@H]1CCCN(C(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)C1 ZINC000027151006 441395267 /nfs/dbraw/zinc/39/52/67/441395267.db2.gz VVMBNZWDZIATNE-QWHCGFSZSA-N 0 0 349.456 1.762 10 0 EDAERN CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000083741190 441374181 /nfs/dbraw/zinc/37/41/81/441374181.db2.gz NJKRTJKYDZKMFR-CHWSQXEVSA-N 0 0 335.408 1.406 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCO)Cc1ccccc1 ZINC000083741848 441374422 /nfs/dbraw/zinc/37/44/22/441374422.db2.gz BZVVFJYFCXZDEH-HNNXBMFYSA-N 0 0 329.404 1.626 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000029143371 441447850 /nfs/dbraw/zinc/44/78/50/441447850.db2.gz PUECWUGTISMBGJ-GFCCVEGCSA-N 0 0 340.383 1.612 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCOc2ccccc2C(C)(C)C)C1 ZINC000108885762 441479380 /nfs/dbraw/zinc/47/93/80/441479380.db2.gz MGONHWZSIQHZAQ-HNNXBMFYSA-N 0 0 349.475 1.993 10 0 EDAERN CC(C)C[C@H](C(=O)NC[C@H](C)N1CCOCC1)N1CCCCC1=O ZINC000087087656 441480199 /nfs/dbraw/zinc/48/01/99/441480199.db2.gz HRIWUPBINFRFEL-JKSUJKDBSA-N 0 0 339.480 1.251 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000088200054 441495557 /nfs/dbraw/zinc/49/55/57/441495557.db2.gz QBEAPTVIHMMCNE-MNOVXSKESA-N 0 0 337.424 1.705 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc2c1OCCO2 ZINC000088197614 441495827 /nfs/dbraw/zinc/49/58/27/441495827.db2.gz NHCDXYFFSQIACU-GFCCVEGCSA-N 0 0 328.372 1.877 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 ZINC000110900564 441525535 /nfs/dbraw/zinc/52/55/35/441525535.db2.gz QYDIYJXGQIEWAK-AWEZNQCLSA-N 0 0 343.431 1.643 10 0 EDAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111087870 441528697 /nfs/dbraw/zinc/52/86/97/441528697.db2.gz WMIFMFSTMUPZIW-SJDLMVEWSA-N 0 0 341.367 1.553 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000075518676 441529409 /nfs/dbraw/zinc/52/94/09/441529409.db2.gz KAWLWWYTTKCVKF-IUCAKERBSA-N 0 0 325.328 1.226 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc([S@@](C)=O)cc3)CCO2)c1 ZINC000112068141 441544547 /nfs/dbraw/zinc/54/45/47/441544547.db2.gz NYFLSLBBXFXWIG-MYYSRTQBSA-N 0 0 347.440 1.470 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CSc1nc(C)cc(C)n1 ZINC000088281004 441503098 /nfs/dbraw/zinc/50/30/98/441503098.db2.gz AJEFWBGDTLXPFB-GFCCVEGCSA-N 0 0 346.460 1.991 10 0 EDAERN C[C@H](CNC(=O)Nc1cnn(-c2ccccc2F)c1)N1CCOCC1 ZINC000088420717 441507984 /nfs/dbraw/zinc/50/79/84/441507984.db2.gz JAIYCBUCIAJTOU-CYBMUJFWSA-N 0 0 347.394 1.854 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NCC1(O)CCOCC1)C(C)C ZINC000075228595 441511440 /nfs/dbraw/zinc/51/14/40/441511440.db2.gz NXLDXJQHAVTSNF-MRXNPFEDSA-N 0 0 348.443 1.407 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000089507400 441556483 /nfs/dbraw/zinc/55/64/83/441556483.db2.gz OEPFJILADPLFDN-ZJUUUORDSA-N 0 0 341.433 1.746 10 0 EDAERN COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@H]2C[C@H]2C)CC1 ZINC000076078485 441593611 /nfs/dbraw/zinc/59/36/11/441593611.db2.gz WXMVDVDJZRYGTI-CJNGLKHVSA-N 0 0 345.443 1.936 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)Nc3ccncc3)CC2)n1 ZINC000113361670 441602554 /nfs/dbraw/zinc/60/25/54/441602554.db2.gz PCUNSKMMCBJOJZ-UHFFFAOYSA-N 0 0 328.376 1.624 10 0 EDAERN CN(C)C(=Nc1c(F)cccc1F)C1C(=O)OC(C)(C)OC1=O ZINC000036462849 441607433 /nfs/dbraw/zinc/60/74/33/441607433.db2.gz BCUSYHCNBAJECM-UHFFFAOYSA-N 0 0 326.299 1.986 10 0 EDAERN CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000113584450 441615951 /nfs/dbraw/zinc/61/59/51/441615951.db2.gz BRHIIVVRYLTCTA-DZGCQCFKSA-N 0 0 341.477 1.412 10 0 EDAERN CC(C)n1cc(Br)cc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000090866167 441644461 /nfs/dbraw/zinc/64/44/61/441644461.db2.gz NOVKZYZXVRLRBA-LBPRGKRZSA-N 0 0 344.253 1.892 10 0 EDAERN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483248 441663629 /nfs/dbraw/zinc/66/36/29/441663629.db2.gz WEOSXZFCNDEYOM-HZPDHXFCSA-N 0 0 348.447 1.881 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173336700 441717580 /nfs/dbraw/zinc/71/75/80/441717580.db2.gz PYPVONSFEDUMJN-WBVHZDCISA-N 0 0 335.448 1.564 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCNC(=O)c1ccsc1)CC2 ZINC000114864719 441692899 /nfs/dbraw/zinc/69/28/99/441692899.db2.gz KEPXCIYYXKTBST-GFCCVEGCSA-N 0 0 347.444 1.153 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)OCC2CC2)ncn1 ZINC000173447155 441754038 /nfs/dbraw/zinc/75/40/38/441754038.db2.gz ZWYATYOXLYYGRK-TZMCWYRMSA-N 0 0 333.436 1.418 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccnn2C)CC1 ZINC000121697227 441760165 /nfs/dbraw/zinc/76/01/65/441760165.db2.gz KVSWZAFJQWPZHK-UHFFFAOYSA-N 0 0 336.871 1.687 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC000042648059 441763876 /nfs/dbraw/zinc/76/38/76/441763876.db2.gz VTWRRSOKSUORTA-ZFWWWQNUSA-N 0 0 332.400 1.749 10 0 EDAERN Cc1csc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000115633907 441764819 /nfs/dbraw/zinc/76/48/19/441764819.db2.gz WPFSBKXNTVHIDW-UHFFFAOYSA-N 0 0 334.449 1.925 10 0 EDAERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NC[C@@H]1CCCC[C@@H]1O ZINC000077152343 441725503 /nfs/dbraw/zinc/72/55/03/441725503.db2.gz MTDVRYBLRGENTC-BBRMVZONSA-N 0 0 331.416 1.846 10 0 EDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cccc(F)c3F)C2)cn1 ZINC000116369673 441815374 /nfs/dbraw/zinc/81/53/74/441815374.db2.gz GCERXBSJNBCNFS-JTQLQIEISA-N 0 0 327.356 1.877 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCCCc1c[nH]nn1)CC2 ZINC000139504468 441818769 /nfs/dbraw/zinc/81/87/69/441818769.db2.gz ISNRYLJLMVQWOT-CYBMUJFWSA-N 0 0 331.424 1.364 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCC(=O)c3ccc(C)cc3)CCO2)[nH]1 ZINC000173528659 441780832 /nfs/dbraw/zinc/78/08/32/441780832.db2.gz KUIDWMUASSDHGD-INIZCTEOSA-N 0 0 342.399 1.985 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000137896211 441780928 /nfs/dbraw/zinc/78/09/28/441780928.db2.gz GJGGURHPAQYZSX-DZGCQCFKSA-N 0 0 335.452 1.614 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CSCc3ccccn3)CCO2)[nH]1 ZINC000173535328 441783802 /nfs/dbraw/zinc/78/38/02/441783802.db2.gz YJYZTWJXXLBAOP-CYBMUJFWSA-N 0 0 333.417 1.341 10 0 EDAERN COc1cccc(CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000138085199 441784248 /nfs/dbraw/zinc/78/42/48/441784248.db2.gz TTWAEMRKZPCQNY-NSHDSACASA-N 0 0 330.392 1.578 10 0 EDAERN CN(CC(=O)N1CCC[C@@H]1c1ccco1)c1ncnc2nc[nH]c21 ZINC000116041383 441791240 /nfs/dbraw/zinc/79/12/40/441791240.db2.gz GXHGKQKQWNLSMC-LLVKDONJSA-N 0 0 326.360 1.746 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116422772 441820718 /nfs/dbraw/zinc/82/07/18/441820718.db2.gz QMPGZIXFEFBDSB-CQSZACIVSA-N 0 0 335.452 1.568 10 0 EDAERN COc1ccccc1NCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173605311 441802269 /nfs/dbraw/zinc/80/22/69/441802269.db2.gz LVLNUPAOGZXAJZ-CQSZACIVSA-N 0 0 331.376 1.134 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3oc4c(c3C)C(=O)CCC4)CCO2)[nH]1 ZINC000173605327 441802630 /nfs/dbraw/zinc/80/26/30/441802630.db2.gz GUMSANGRAPOBSE-ZDUSSCGKSA-N 0 0 344.371 1.747 10 0 EDAERN CN1CC[C@@H](N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)C1=O ZINC000116278235 441807940 /nfs/dbraw/zinc/80/79/40/441807940.db2.gz QWHWIEVPKNQMKX-GOSISDBHSA-N 0 0 339.443 1.221 10 0 EDAERN COc1ccccc1NC(=O)CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173669932 441821497 /nfs/dbraw/zinc/82/14/97/441821497.db2.gz WADWFJPCZXGAJX-CQSZACIVSA-N 0 0 331.376 1.134 10 0 EDAERN CN(C(=O)c1ccc(C(N)=O)s1)[C@H]1CCCN(c2cccnn2)C1 ZINC000121929837 441812808 /nfs/dbraw/zinc/81/28/08/441812808.db2.gz FUKCSVUDHZNIGB-NSHDSACASA-N 0 0 345.428 1.378 10 0 EDAERN Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173940566 441865738 /nfs/dbraw/zinc/86/57/38/441865738.db2.gz WJQNXPUBXOUQOE-SFHVURJKSA-N 0 0 331.460 1.360 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NC1(c2ccccc2)CCC1 ZINC000173952038 441868868 /nfs/dbraw/zinc/86/88/68/441868868.db2.gz ROILULIQRXHGFK-GOSISDBHSA-N 0 0 343.471 1.589 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000173983425 441872790 /nfs/dbraw/zinc/87/27/90/441872790.db2.gz KJEYCZVLCAEXIB-GXTWGEPZSA-N 0 0 326.418 1.078 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1CSC ZINC000121994737 441826164 /nfs/dbraw/zinc/82/61/64/441826164.db2.gz ILPPJHJYDCKKIU-RYUDHWBXSA-N 0 0 339.465 1.796 10 0 EDAERN Cc1ccc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1-n1cnnn1 ZINC000077676301 441827146 /nfs/dbraw/zinc/82/71/46/441827146.db2.gz RCFSPAOEYQUTST-WFASDCNBSA-N 0 0 330.392 1.643 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCCOC[C@H]3CCCO3)C2)cn1 ZINC000116524569 441827949 /nfs/dbraw/zinc/82/79/49/441827949.db2.gz SKNHNGUSZDTXCN-GDBMZVCRSA-N 0 0 336.436 1.505 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1N1CCOCC1 ZINC000173837798 441848643 /nfs/dbraw/zinc/84/86/43/441848643.db2.gz KQZKDKSRHWITQR-DNVCBOLYSA-N 0 0 328.456 1.897 10 0 EDAERN Cc1ccc(OCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1C ZINC000173870664 441852854 /nfs/dbraw/zinc/85/28/54/441852854.db2.gz ULILRDWFUCIKBD-SJLPKXTDSA-N 0 0 332.444 1.861 10 0 EDAERN CC(C)CC(=O)NCCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000119912837 441974937 /nfs/dbraw/zinc/97/49/37/441974937.db2.gz TTYUXXIWKNLYTO-GFCCVEGCSA-N 0 0 325.434 1.595 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000119323784 441927996 /nfs/dbraw/zinc/92/79/96/441927996.db2.gz HJRDGVMOXLCIIP-NWANDNLSSA-N 0 0 338.398 1.983 10 0 EDAERN CCOC(=O)C1(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)CCC1 ZINC000124812270 441955261 /nfs/dbraw/zinc/95/52/61/441955261.db2.gz ZKIKOAYFLVQDME-CYBMUJFWSA-N 0 0 335.404 1.893 10 0 EDAERN O=C(CC1(O)CCCC1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174966997 441990804 /nfs/dbraw/zinc/99/08/04/441990804.db2.gz DXAJODNDLCIRGM-UHFFFAOYSA-N 0 0 348.447 1.677 10 0 EDAERN C[C@@H](CNC(=O)N1CC[C@H](Cc2ccccc2)C1)N1CCOCC1 ZINC000175008604 441994662 /nfs/dbraw/zinc/99/46/62/441994662.db2.gz SZIUCTMZGJRDGH-FUHWJXTLSA-N 0 0 331.460 1.981 10 0 EDAERN CCOCCN1CCN(CCCS(=O)(=O)C(C)C)C[C@H]1CC ZINC000120030727 441996036 /nfs/dbraw/zinc/99/60/36/441996036.db2.gz CQGNGUXRSQALTK-MRXNPFEDSA-N 0 0 334.526 1.632 10 0 EDAERN O=C(Cc1ccccc1)NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151080540 442001249 /nfs/dbraw/zinc/00/12/49/442001249.db2.gz DWSUTIPLTDJTES-VQIMIIECSA-N 0 0 330.428 1.499 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)CCc1ccncc1)CC2 ZINC000161573359 442012418 /nfs/dbraw/zinc/01/24/18/442012418.db2.gz VCJQROIBANLLLJ-OAHLLOKOSA-N 0 0 342.447 1.995 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CC1CCCC1 ZINC000125565051 442029963 /nfs/dbraw/zinc/02/99/63/442029963.db2.gz QDQMFZVGHFQXPZ-GFCCVEGCSA-N 0 0 349.456 1.762 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCOc3ccccc3)CCO2)[nH]1 ZINC000175301068 442037028 /nfs/dbraw/zinc/03/70/28/442037028.db2.gz GUIOVQCNWGBUSX-CQSZACIVSA-N 0 0 331.376 1.275 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)C)C(C)C ZINC000162442197 442094136 /nfs/dbraw/zinc/09/41/36/442094136.db2.gz ULUSODRZKYZXNG-ZFWWWQNUSA-N 0 0 328.453 1.972 10 0 EDAERN CN(C)c1ccc(Cl)cc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000151362846 442048127 /nfs/dbraw/zinc/04/81/27/442048127.db2.gz LPOLVBNPFATERB-GFCCVEGCSA-N 0 0 326.828 1.858 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000125956722 442064505 /nfs/dbraw/zinc/06/45/05/442064505.db2.gz GXXPRKOXHDVESV-JTQLQIEISA-N 0 0 341.433 1.700 10 0 EDAERN COC[C@H](NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1)c1ccco1 ZINC000175543931 442082962 /nfs/dbraw/zinc/08/29/62/442082962.db2.gz QWLPBMMPOYXKJV-OLZOCXBDSA-N 0 0 347.419 1.996 10 0 EDAERN C[C@@H](NC(=O)NCC[S@](=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000126438472 442111595 /nfs/dbraw/zinc/11/15/95/442111595.db2.gz KBFRYOMURVLIQD-QVQLBTGDSA-N 0 0 341.481 1.522 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)OC)cc1CC ZINC000162735481 442118904 /nfs/dbraw/zinc/11/89/04/442118904.db2.gz FOSIDVMFRXPFRT-OAHLLOKOSA-N 0 0 332.400 1.914 10 0 EDAERN COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000151772666 442119143 /nfs/dbraw/zinc/11/91/43/442119143.db2.gz WHTXSYXDJVQKRJ-GXTWGEPZSA-N 0 0 328.434 1.018 10 0 EDAERN CC(C)Cn1ccnc1CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175813479 442127800 /nfs/dbraw/zinc/12/78/00/442127800.db2.gz WXZFTYCMKDQULL-JKSUJKDBSA-N 0 0 349.479 1.401 10 0 EDAERN O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCCN(c2cccnn2)C1 ZINC000120758795 442128603 /nfs/dbraw/zinc/12/86/03/442128603.db2.gz ZXEOEOBCPNDEEZ-AWEZNQCLSA-N 0 0 336.399 1.681 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ncn(C)n1 ZINC000120768508 442129377 /nfs/dbraw/zinc/12/93/77/442129377.db2.gz IPKXAZOKRJQVPQ-DOMZBBRYSA-N 0 0 329.404 1.276 10 0 EDAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000162515321 442099030 /nfs/dbraw/zinc/09/90/30/442099030.db2.gz DXGMBFIYORUJAF-ZBFHGGJFSA-N 0 0 344.415 1.477 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNC(=O)c1cccs1 ZINC000175678153 442103806 /nfs/dbraw/zinc/10/38/06/442103806.db2.gz DOBXZLWRHIFDLI-NSHDSACASA-N 0 0 348.432 1.212 10 0 EDAERN C[C@H](NC(=O)N[C@@H](CO)c1ccccc1)c1nnc2n1CCCC2 ZINC000121325875 442204059 /nfs/dbraw/zinc/20/40/59/442204059.db2.gz DEBXTYHGPPUFMD-JSGCOSHPSA-N 0 0 329.404 1.708 10 0 EDAERN CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000121335775 442204493 /nfs/dbraw/zinc/20/44/93/442204493.db2.gz JPJMPPSEPXHMJS-WFASDCNBSA-N 0 0 340.445 1.865 10 0 EDAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127165212 442177439 /nfs/dbraw/zinc/17/74/39/442177439.db2.gz KTSNCBWELKUFQD-CJNGLKHVSA-N 0 0 340.383 1.298 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cccc(-c3nc[nH]n3)c2)n1 ZINC000121184403 442188324 /nfs/dbraw/zinc/18/83/24/442188324.db2.gz LPLBFRJPGFMUKJ-CYBMUJFWSA-N 0 0 340.343 1.377 10 0 EDAERN CCCCNC(=O)C1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000121334807 442205022 /nfs/dbraw/zinc/20/50/22/442205022.db2.gz JHXWQOZVPLFUHA-DZGCQCFKSA-N 0 0 325.453 1.892 10 0 EDAERN O=C(c1ccccc1-n1cnnn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121226141 442194455 /nfs/dbraw/zinc/19/44/55/442194455.db2.gz LKJAPUAVSJLHFP-DYVFJYSZSA-N 0 0 327.388 1.430 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000175956305 442152763 /nfs/dbraw/zinc/15/27/63/442152763.db2.gz HOMXOTRXIYCEJV-ZBFHGGJFSA-N 0 0 330.436 1.898 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cn(CCC(C)C)nn2)CCN1CCOC ZINC000152054479 442158804 /nfs/dbraw/zinc/15/88/04/442158804.db2.gz WVJOATHQXQXIDE-OAHLLOKOSA-N 0 0 337.468 1.507 10 0 EDAERN CN1CCOc2ccc(NC(=O)N[C@@H]3CCCn4ncnc43)cc21 ZINC000176027070 442162686 /nfs/dbraw/zinc/16/26/86/442162686.db2.gz IVVDUWPUCXMAIY-GFCCVEGCSA-N 0 0 328.376 1.763 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000152510648 442221206 /nfs/dbraw/zinc/22/12/06/442221206.db2.gz NOZSXGSLEGLCEN-AWEZNQCLSA-N 0 0 344.419 1.719 10 0 EDAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NCc1ccc(F)cc1 ZINC000152584397 442228321 /nfs/dbraw/zinc/22/83/21/442228321.db2.gz CDRIBKNQUSQGKL-KRWDZBQOSA-N 0 0 329.375 1.990 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCCOC[C@@H]2CCOC2)cn1 ZINC000128388756 442263244 /nfs/dbraw/zinc/26/32/44/442263244.db2.gz BJXIHOORTRNWNF-HOCLYGCPSA-N 0 0 336.436 1.710 10 0 EDAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cccnc1 ZINC000128445947 442266777 /nfs/dbraw/zinc/26/67/77/442266777.db2.gz RUPUSGDCUCJPGK-ZDUSSCGKSA-N 0 0 333.417 1.161 10 0 EDAERN CCn1cc(C2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)cn1 ZINC000170836339 442272239 /nfs/dbraw/zinc/27/22/39/442272239.db2.gz JXGURPSNWFHCAQ-CYBMUJFWSA-N 0 0 328.420 1.900 10 0 EDAERN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000176919938 442273249 /nfs/dbraw/zinc/27/32/49/442273249.db2.gz CNKLJBUVXQBYKW-CQSZACIVSA-N 0 0 341.411 1.796 10 0 EDAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1(C)C ZINC000153288762 442273769 /nfs/dbraw/zinc/27/37/69/442273769.db2.gz BNVWAGIBUGEPHZ-OWCLPIDISA-N 0 0 333.432 1.670 10 0 EDAERN COCCNc1nnc(S(=O)(=O)Cc2nccn2C(C)C)s1 ZINC000176949920 442276821 /nfs/dbraw/zinc/27/68/21/442276821.db2.gz HQKLPMVVWRYUBL-UHFFFAOYSA-N 0 0 345.450 1.348 10 0 EDAERN COC[C@H](NC(=O)N[C@H](C)c1nnc2n1CCCC2)c1ccco1 ZINC000153418543 442281294 /nfs/dbraw/zinc/28/12/94/442281294.db2.gz SDEIESRCVBEAAX-NEPJUHHUSA-N 0 0 333.392 1.955 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000170896335 442284820 /nfs/dbraw/zinc/28/48/20/442284820.db2.gz YNTSAADOCXBLAD-CQSZACIVSA-N 0 0 331.351 1.011 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c(Cl)cc1F ZINC000128740819 442285538 /nfs/dbraw/zinc/28/55/38/442285538.db2.gz YAIDZPNLOSXYMN-QWHCGFSZSA-N 0 0 348.827 1.491 10 0 EDAERN CC1CCC(NS(=O)(=O)CC(=O)N2CCS[C@@H](C)C2)CC1 ZINC000170901250 442285909 /nfs/dbraw/zinc/28/59/09/442285909.db2.gz UDNIGAIPTSYYJK-CPCZMJQVSA-N 0 0 334.507 1.448 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000170923226 442289506 /nfs/dbraw/zinc/28/95/06/442289506.db2.gz RASBZOQKWMYSJQ-ZDUSSCGKSA-N 0 0 331.338 1.835 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCN1CCOC ZINC000153091549 442260442 /nfs/dbraw/zinc/26/04/42/442260442.db2.gz XXCVPAKTEQNITC-INIZCTEOSA-N 0 0 343.431 1.655 10 0 EDAERN Cc1ccccc1N1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000177317781 442328241 /nfs/dbraw/zinc/32/82/41/442328241.db2.gz YOSPLWIISTYEBJ-HNNXBMFYSA-N 0 0 340.431 1.953 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1cccc(C(F)F)c1)N1CCOCC1 ZINC000171267980 442336227 /nfs/dbraw/zinc/33/62/27/442336227.db2.gz PLXXUDRJDYYVJG-LLVKDONJSA-N 0 0 341.358 1.400 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177395557 442336222 /nfs/dbraw/zinc/33/62/22/442336222.db2.gz KMVDGQDFPIUASR-CQSZACIVSA-N 0 0 331.416 1.639 10 0 EDAERN O=C(Nc1ccc2ncsc2c1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177398861 442337008 /nfs/dbraw/zinc/33/70/08/442337008.db2.gz FYJAHSLPJGLXTG-ZDUSSCGKSA-N 0 0 344.440 1.932 10 0 EDAERN COCCNc1nnc(SCc2nnc(C3CC3)n2C)s1 ZINC000130420867 442346314 /nfs/dbraw/zinc/34/63/14/442346314.db2.gz NHUZFHYBDVFNRE-UHFFFAOYSA-N 0 0 326.451 1.895 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H]1CCCc3n[nH]cc31)CC2 ZINC000177481864 442347965 /nfs/dbraw/zinc/34/79/65/442347965.db2.gz INKSZNKVZOYILW-RYUDHWBXSA-N 0 0 328.420 1.676 10 0 EDAERN CCOC(=O)[C@H](c1ccccc1)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177230208 442316699 /nfs/dbraw/zinc/31/66/99/442316699.db2.gz IJFXTYPDDQBOHC-JQHSSLGASA-N 0 0 332.444 1.943 10 0 EDAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NC(=O)NC1CCCCC1 ZINC000171705097 442372475 /nfs/dbraw/zinc/37/24/75/442372475.db2.gz LQDSQBAOXRUDCA-CQSZACIVSA-N 0 0 334.424 1.074 10 0 EDAERN C[C@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)C[C@@H]1N1CCOCC1 ZINC000177807089 442387152 /nfs/dbraw/zinc/38/71/52/442387152.db2.gz YMKLMNPUABYZET-ZFWWWQNUSA-N 0 0 347.463 1.959 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccccc1OC(F)F ZINC000155391676 442394728 /nfs/dbraw/zinc/39/47/28/442394728.db2.gz GYYPGLDXHGYTHU-LLVKDONJSA-N 0 0 327.331 1.708 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CSCc1ccccn1 ZINC000155441708 442398752 /nfs/dbraw/zinc/39/87/52/442398752.db2.gz ZRFACAXGXDRRMT-ZDUSSCGKSA-N 0 0 347.444 1.704 10 0 EDAERN COC[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C)C1CC1 ZINC000155439400 442398865 /nfs/dbraw/zinc/39/88/65/442398865.db2.gz JKKHVYBLKQLEDN-WBVHZDCISA-N 0 0 348.443 1.991 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)Cn1ccnc1C)CC2 ZINC000172023395 442401061 /nfs/dbraw/zinc/40/10/61/442401061.db2.gz KUZYMJOSOGEEHQ-TZMCWYRMSA-N 0 0 345.451 1.296 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc(Br)o2)n1 ZINC000155482050 442401349 /nfs/dbraw/zinc/40/13/49/442401349.db2.gz YARKBLHIVZEHFG-MRVPVSSYSA-N 0 0 342.149 1.947 10 0 EDAERN Cc1csc(NC(=O)C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)n1 ZINC000177592365 442360617 /nfs/dbraw/zinc/36/06/17/442360617.db2.gz OLGXLHYLPFUHOF-LLVKDONJSA-N 0 0 349.416 1.563 10 0 EDAERN Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000171617515 442363075 /nfs/dbraw/zinc/36/30/75/442363075.db2.gz BDLHXVBMHQRITR-WBVHZDCISA-N 0 0 327.432 1.928 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000177612030 442363229 /nfs/dbraw/zinc/36/32/29/442363229.db2.gz PCCHKCLSRIYZJY-GDBMZVCRSA-N 0 0 347.459 1.491 10 0 EDAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000172121438 442411028 /nfs/dbraw/zinc/41/10/28/442411028.db2.gz OJXXZAAQYHMTJY-LBPRGKRZSA-N 0 0 329.422 1.454 10 0 EDAERN COc1ccc(C[C@@H](C)CN(C)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000133345744 442413788 /nfs/dbraw/zinc/41/37/88/442413788.db2.gz YKTOKXKQPUPBOX-CRAIPNDOSA-N 0 0 349.475 1.846 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000172224925 442425828 /nfs/dbraw/zinc/42/58/28/442425828.db2.gz JHSVVGNNUSFMKX-UHFFFAOYSA-N 0 0 342.447 1.595 10 0 EDAERN CC(C)[C@@H](C)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000172234518 442427349 /nfs/dbraw/zinc/42/73/49/442427349.db2.gz RPAGPIIMBCNEPG-IAGOWNOFSA-N 0 0 334.460 1.863 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000172272204 442433336 /nfs/dbraw/zinc/43/33/36/442433336.db2.gz JIPWXUPTCNTQNG-CYBMUJFWSA-N 0 0 334.420 1.360 10 0 EDAERN COc1cc(C)ccc1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000155835419 442431419 /nfs/dbraw/zinc/43/14/19/442431419.db2.gz MHZTTZJQLCZERL-OAHLLOKOSA-N 0 0 345.403 1.713 10 0 EDAERN O=C(COc1ccc(N2CCCC2=O)cc1)NC[C@H]1CCCC[C@H]1O ZINC000155957830 442438896 /nfs/dbraw/zinc/43/88/96/442438896.db2.gz BPQBYTJTMDCVIY-RHSMWYFYSA-N 0 0 346.427 1.860 10 0 EDAERN CNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000172334838 442445903 /nfs/dbraw/zinc/44/59/03/442445903.db2.gz NJRFIDCRJUSQFG-CQSZACIVSA-N 0 0 332.404 1.439 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CNC(=O)c3ccccc3)CCO2)cn1 ZINC000191780843 442509970 /nfs/dbraw/zinc/50/99/70/442509970.db2.gz TWKGWRKONMIFPZ-MRXNPFEDSA-N 0 0 342.399 1.233 10 0 EDAERN COC(=O)[C@H](N[C@@H]1CCc2nnc(C(C)C)n2C1)c1cccnc1 ZINC000178795505 442487742 /nfs/dbraw/zinc/48/77/42/442487742.db2.gz KTYWFIVOHKHICX-UKRRQHHQSA-N 0 0 329.404 1.615 10 0 EDAERN C[C@@H](C(=O)N1CCC[C@@H]1C(=O)N(C)C)N1CCc2ccccc2C1 ZINC000134531939 442491163 /nfs/dbraw/zinc/49/11/63/442491163.db2.gz MJAUGXOJXDBYQF-WMLDXEAASA-N 0 0 329.444 1.512 10 0 EDAERN C[C@H](CCCc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000179757970 442498488 /nfs/dbraw/zinc/49/84/88/442498488.db2.gz JZBSQRGGELUITO-SJLPKXTDSA-N 0 0 334.460 1.455 10 0 EDAERN Cc1cc(C)n([C@H](C)C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000172434135 442460824 /nfs/dbraw/zinc/46/08/24/442460824.db2.gz WPINENNQPDBPDN-CVEARBPZSA-N 0 0 342.447 1.978 10 0 EDAERN CC1(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)Cc2ccccc2C1 ZINC000179477445 442463682 /nfs/dbraw/zinc/46/36/82/442463682.db2.gz ZLQWFRKWEUSVPT-GOSISDBHSA-N 0 0 343.471 1.908 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1F ZINC000186185822 442480667 /nfs/dbraw/zinc/48/06/67/442480667.db2.gz BXPOUBGWPRMKOV-UHFFFAOYSA-N 0 0 326.393 1.423 10 0 EDAERN Cc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)cnn1-c1ccccn1 ZINC000172757068 442536184 /nfs/dbraw/zinc/53/61/84/442536184.db2.gz VXTWWDDZMWXSQC-HNNXBMFYSA-N 0 0 341.415 1.122 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)C(C)C ZINC000178953758 442536822 /nfs/dbraw/zinc/53/68/22/442536822.db2.gz PQIPCXSBFPHOHM-VERVWZFWSA-N 0 0 329.397 1.455 10 0 EDAERN COC(C)(C)C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191914429 442540126 /nfs/dbraw/zinc/54/01/26/442540126.db2.gz NMADKFIBVMVXMM-UHFFFAOYSA-N 0 0 328.453 1.676 10 0 EDAERN Cc1cc(N2CCC[C@@H](Nc3ncnc4c3cnn4C)C2=O)n(C)n1 ZINC000172810423 442547182 /nfs/dbraw/zinc/54/71/82/442547182.db2.gz QNUJFXOJHPCIFI-GFCCVEGCSA-N 0 0 340.391 1.013 10 0 EDAERN Cc1c(CNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cnn1C ZINC000179004800 442549871 /nfs/dbraw/zinc/54/98/71/442549871.db2.gz ZKLITCIZMLZLIV-AWEZNQCLSA-N 0 0 348.428 1.446 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1 ZINC000186320066 442511498 /nfs/dbraw/zinc/51/14/98/442511498.db2.gz OBYMKFBSVIHSAA-UHFFFAOYSA-N 0 0 349.774 1.582 10 0 EDAERN CCOCCN1CCN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1CC ZINC000191869876 442528826 /nfs/dbraw/zinc/52/88/26/442528826.db2.gz WMDKNHBKBSWUTM-CQSZACIVSA-N 0 0 337.468 1.606 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CC(C)(C)CC(C)=O)ncn1 ZINC000191880226 442531361 /nfs/dbraw/zinc/53/13/61/442531361.db2.gz JUMXAASEQCBFAH-CQSZACIVSA-N 0 0 347.463 1.999 10 0 EDAERN COc1cc(CCC(=O)N2CC[C@H](N3CCOCC3)C2)cc(OC)c1 ZINC000172748400 442532334 /nfs/dbraw/zinc/53/23/34/442532334.db2.gz UOMBNLIVCMHTJI-INIZCTEOSA-N 0 0 348.443 1.570 10 0 EDAERN O=C(COc1ccc(F)c(Cl)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747753 442532948 /nfs/dbraw/zinc/53/29/48/442532948.db2.gz SFDPYAPZEOPVNF-GFCCVEGCSA-N 0 0 342.798 1.791 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000180265691 442569931 /nfs/dbraw/zinc/56/99/31/442569931.db2.gz BBJAYFJZNCLABK-MRXNPFEDSA-N 0 0 325.368 1.439 10 0 EDAERN Cc1ncc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c(C)n1 ZINC000180280943 442573553 /nfs/dbraw/zinc/57/35/53/442573553.db2.gz DMWFMWUMBIPQMY-UHFFFAOYSA-N 0 0 326.404 1.624 10 0 EDAERN Cc1noc2ncc(C(=O)N[C@H](C)c3nnc4n3CCCC4)cc12 ZINC000135269833 442573860 /nfs/dbraw/zinc/57/38/60/442573860.db2.gz YEXIJQARGPGASC-SNVBAGLBSA-N 0 0 326.360 1.950 10 0 EDAERN CCNc1ccc(Cl)cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000192039578 442576463 /nfs/dbraw/zinc/57/64/63/442576463.db2.gz MTSDVNMOOGTANX-CYBMUJFWSA-N 0 0 341.839 1.195 10 0 EDAERN CC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000135301731 442577151 /nfs/dbraw/zinc/57/71/51/442577151.db2.gz PGGXVTAASFZQNO-INIZCTEOSA-N 0 0 339.399 1.834 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000172982979 442577217 /nfs/dbraw/zinc/57/72/17/442577217.db2.gz IJETVCIOWOBQRE-SECBINFHSA-N 0 0 336.360 1.355 10 0 EDAERN C[C@H](NC(=O)CNC(=O)OCC(F)(F)F)c1nnc2n1CCCC2 ZINC000135312720 442579490 /nfs/dbraw/zinc/57/94/90/442579490.db2.gz IESXVEFFKVKQLD-QMMMGPOBSA-N 0 0 349.313 1.080 10 0 EDAERN C[C@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1nnc2n1CCCC2 ZINC000135345208 442583308 /nfs/dbraw/zinc/58/33/08/442583308.db2.gz BOBXVYVRIHZHRF-FNODVLLQSA-N 0 0 346.456 1.984 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1cc2c(cc1Br)OCCO2 ZINC000179173294 442588955 /nfs/dbraw/zinc/58/89/55/442588955.db2.gz GGOXZWRVQVSNNB-GHMZBOCLSA-N 0 0 344.205 1.148 10 0 EDAERN C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186678974 442590282 /nfs/dbraw/zinc/59/02/82/442590282.db2.gz BCENKLQMBLAFMS-GOEBONIOSA-N 0 0 339.480 1.504 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000192103027 442593272 /nfs/dbraw/zinc/59/32/72/442593272.db2.gz XDECRWAPTLQAHL-AWEZNQCLSA-N 0 0 340.464 1.678 10 0 EDAERN Cn1nc(Br)cc1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000192127718 442598545 /nfs/dbraw/zinc/59/85/45/442598545.db2.gz LCGVQNAADMQUQU-UHFFFAOYSA-N 0 0 338.209 1.926 10 0 EDAERN Cn1ccnc1CN1CCC(C(=O)N[C@H]2CCCC[C@@H]2CO)CC1 ZINC000179216569 442599670 /nfs/dbraw/zinc/59/96/70/442599670.db2.gz CGTNLBGDYLAPCV-CVEARBPZSA-N 0 0 334.464 1.299 10 0 EDAERN COC(=O)c1c(C)cccc1S(=O)(=O)NCCn1cc(C)cn1 ZINC000157706818 442605436 /nfs/dbraw/zinc/60/54/36/442605436.db2.gz AZKODKBEVCUIEM-UHFFFAOYSA-N 0 0 337.401 1.265 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)C(C)C ZINC000179080693 442568255 /nfs/dbraw/zinc/56/82/55/442568255.db2.gz RTAGBXACVOTEJA-CQSZACIVSA-N 0 0 328.372 1.060 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000180256462 442568513 /nfs/dbraw/zinc/56/85/13/442568513.db2.gz NPWRPTUPNSAVRD-WMLDXEAASA-N 0 0 345.443 1.367 10 0 EDAERN O=C1CCCN1C[C@H](O)CN[C@@H](c1nccs1)c1ccccc1 ZINC000157999391 442635822 /nfs/dbraw/zinc/63/58/22/442635822.db2.gz TZCMLAXLLILJKQ-GDBMZVCRSA-N 0 0 331.441 1.805 10 0 EDAERN CCn1cc(C(=O)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000179380006 442636829 /nfs/dbraw/zinc/63/68/29/442636829.db2.gz ZKXXCBGTRUPPER-LLVKDONJSA-N 0 0 349.412 1.367 10 0 EDAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1=NN(CCO)C(=O)CC1 ZINC000136263505 442658080 /nfs/dbraw/zinc/65/80/80/442658080.db2.gz JLIHZBKRXDCXED-UWVGGRQHSA-N 0 0 335.326 1.194 10 0 EDAERN COc1ncncc1NC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000135922172 442641391 /nfs/dbraw/zinc/64/13/91/442641391.db2.gz SLUXTDIYTYGQLU-UHFFFAOYSA-N 0 0 348.432 1.600 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2cncc(Cl)n2)C12CCOCC2 ZINC000192383337 442643129 /nfs/dbraw/zinc/64/31/29/442643129.db2.gz YYNMKQSDLPZHQH-RYUDHWBXSA-N 0 0 325.796 1.834 10 0 EDAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)O2 ZINC000180696790 442649397 /nfs/dbraw/zinc/64/93/97/442649397.db2.gz KCQCJHYASQNYRE-KRIMKBQASA-N 0 0 325.453 1.654 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2[C@H](C)COC[C@@H]2C)c1C ZINC000135565748 442612338 /nfs/dbraw/zinc/61/23/38/442612338.db2.gz YEQDZPNTITZEAI-TXEJJXNPSA-N 0 0 325.430 1.956 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000173175616 442616645 /nfs/dbraw/zinc/61/66/45/442616645.db2.gz ADPWYUNWWZSBNT-GFCCVEGCSA-N 0 0 337.395 1.252 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CCS1 ZINC000179348722 442627773 /nfs/dbraw/zinc/62/77/73/442627773.db2.gz AHXGSTVEBANIQV-LBPRGKRZSA-N 0 0 345.428 1.229 10 0 EDAERN CC(C)NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179358368 442631208 /nfs/dbraw/zinc/63/12/08/442631208.db2.gz NREBBXXQEUSBIQ-RHSMWYFYSA-N 0 0 349.406 1.328 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(C)c1F)CC2 ZINC000181290364 442688529 /nfs/dbraw/zinc/68/85/29/442688529.db2.gz VCIFAFFHNQULKK-LLVKDONJSA-N 0 0 338.408 1.581 10 0 EDAERN CCC1(CC)[C@H](NC(=O)N[C@@H]2CCc3ncnn3C2)[C@H](C)[C@@H]1OC ZINC000181502497 442700543 /nfs/dbraw/zinc/70/05/43/442700543.db2.gz SUULPDKBIINZDQ-MXYBEHONSA-N 0 0 335.452 1.732 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N(C)CC1(O)CCOCC1)C(C)C ZINC000188048344 442705322 /nfs/dbraw/zinc/70/53/22/442705322.db2.gz YYYFBOXLPGGMRG-HNNXBMFYSA-N 0 0 328.453 1.173 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000136405380 442662815 /nfs/dbraw/zinc/66/28/15/442662815.db2.gz OAPZNHDBIZCSPD-CZUORRHYSA-N 0 0 325.453 1.300 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](CC)c2nccs2)CC1 ZINC000181806616 442717933 /nfs/dbraw/zinc/71/79/33/442717933.db2.gz KCOHSVAVCLWLND-CHWSQXEVSA-N 0 0 326.466 1.692 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000193381439 442737720 /nfs/dbraw/zinc/73/77/20/442737720.db2.gz BXRNBEIVWBTGQK-HOCLYGCPSA-N 0 0 337.391 1.921 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCc2cccc3ccccc32)C1 ZINC000188377061 442744796 /nfs/dbraw/zinc/74/47/96/442744796.db2.gz NQLFITPOINCMGQ-UHFFFAOYSA-N 0 0 341.411 1.539 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@H]1CC ZINC000193472061 442746853 /nfs/dbraw/zinc/74/68/53/442746853.db2.gz BBTWNFFROQWJQR-OAHLLOKOSA-N 0 0 348.447 1.288 10 0 EDAERN O=C(c1cn2ccnc2s1)N1CCCN(c2cccnn2)CC1 ZINC000188452525 442751520 /nfs/dbraw/zinc/75/15/20/442751520.db2.gz WFNGICPPOZQMTB-UHFFFAOYSA-N 0 0 328.401 1.538 10 0 EDAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188487300 442755388 /nfs/dbraw/zinc/75/53/88/442755388.db2.gz OLZRNYIPGBOWRU-UHFFFAOYSA-N 0 0 343.427 1.160 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000188097265 442710967 /nfs/dbraw/zinc/71/09/67/442710967.db2.gz SPLNUOAREWTEKH-YMTOWFKASA-N 0 0 337.326 1.195 10 0 EDAERN COC(=O)C1CCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181724328 442713083 /nfs/dbraw/zinc/71/30/83/442713083.db2.gz DFSQGAFNIFSTMX-CYBMUJFWSA-N 0 0 349.435 1.311 10 0 EDAERN CCC[C@@H](CCO)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729091 442713495 /nfs/dbraw/zinc/71/34/95/442713495.db2.gz YTQVVSZOYAQSAH-KBPBESRZSA-N 0 0 337.468 1.814 10 0 EDAERN O=S(=O)(c1ccco1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188711242 442794830 /nfs/dbraw/zinc/79/48/30/442794830.db2.gz HIVUGFGZVYUECA-HNNXBMFYSA-N 0 0 336.413 1.320 10 0 EDAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000193850425 442798588 /nfs/dbraw/zinc/79/85/88/442798588.db2.gz FEOAQGWPGPSUEF-DTWKUNHWSA-N 0 0 336.816 1.936 10 0 EDAERN C[C@H](CN1CCC[C@H]1CNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000246664019 442799949 /nfs/dbraw/zinc/79/99/49/442799949.db2.gz WODJFMZQPGBGNW-OLZOCXBDSA-N 0 0 334.482 1.656 10 0 EDAERN CCCN(C(=O)[C@H]1C[C@@H](O)CN1C(C)=O)[C@H]1CCc2ccccc2C1 ZINC000188745973 442803007 /nfs/dbraw/zinc/80/30/07/442803007.db2.gz HVRWAENUXFXKOL-IPMKNSEASA-N 0 0 344.455 1.764 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCc3c2cccc3Cl)C1 ZINC000188505785 442757604 /nfs/dbraw/zinc/75/76/04/442757604.db2.gz YDGNFACCJYHXFR-AWEZNQCLSA-N 0 0 337.807 1.484 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2ccc(C(C)(C)C)cc2)C1 ZINC000188549314 442762719 /nfs/dbraw/zinc/76/27/19/442762719.db2.gz BKIGMDAOXIWTQS-UHFFFAOYSA-N 0 0 333.432 1.641 10 0 EDAERN CCC(CC)NC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182395416 442763306 /nfs/dbraw/zinc/76/33/06/442763306.db2.gz GBQDHYLASCDOSC-NSHDSACASA-N 0 0 344.481 1.547 10 0 EDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000188562816 442763960 /nfs/dbraw/zinc/76/39/60/442763960.db2.gz RMDOPZZWDOBPIF-UHFFFAOYSA-N 0 0 340.298 1.354 10 0 EDAERN C[C@H](CC(=O)N1CC(NC(=O)C2CCC2)C1)NC(=O)c1ccccc1 ZINC000188569638 442764169 /nfs/dbraw/zinc/76/41/69/442764169.db2.gz AFZACEABLXUXMY-CYBMUJFWSA-N 0 0 343.427 1.322 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000188879024 442833578 /nfs/dbraw/zinc/83/35/78/442833578.db2.gz ZTIMYQDFZOWXLZ-HUUCEWRRSA-N 0 0 336.819 1.470 10 0 EDAERN COC[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccc(C)o1 ZINC000188881808 442834199 /nfs/dbraw/zinc/83/41/99/442834199.db2.gz PEEGTXDTVAZITA-CQSZACIVSA-N 0 0 335.404 1.586 10 0 EDAERN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000188781518 442812389 /nfs/dbraw/zinc/81/23/89/442812389.db2.gz WHZHZIVWTFZTEN-YPMHNXCESA-N 0 0 326.418 1.657 10 0 EDAERN CN(CC1(c2ccccc2)CC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000188856515 442828503 /nfs/dbraw/zinc/82/85/03/442828503.db2.gz JNJFXEZCVUGOCZ-OAHLLOKOSA-N 0 0 325.416 1.966 10 0 EDAERN C[C@@H](NC(=O)CNC(=O)c1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000194061022 442839521 /nfs/dbraw/zinc/83/95/21/442839521.db2.gz PIVFGMOFAIYQAM-PWSUYJOCSA-N 0 0 342.342 1.702 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)C[C@@H]1C ZINC000247184747 442839910 /nfs/dbraw/zinc/83/99/10/442839910.db2.gz WDUPCDLQERCPJX-STQMWFEESA-N 0 0 344.415 1.020 10 0 EDAERN Cc1csc([C@H]2CN(C(=O)NCC3CCOCC3)CCO2)n1 ZINC000194285986 442872287 /nfs/dbraw/zinc/87/22/87/442872287.db2.gz LTNPQYQWVCKNMT-CYBMUJFWSA-N 0 0 325.434 1.961 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2CCO)C1 ZINC000189109585 442878878 /nfs/dbraw/zinc/87/88/78/442878878.db2.gz IWWRILBRDUQTCH-RDBSUJKOSA-N 0 0 326.437 1.911 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C[C@@H](O)CC)CC2)C12CCC2 ZINC000248500781 442897925 /nfs/dbraw/zinc/89/79/25/442897925.db2.gz STGWZJMIJYHMHK-HRCADAONSA-N 0 0 339.480 1.432 10 0 EDAERN CN(C)c1ncc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000189218382 442899164 /nfs/dbraw/zinc/89/91/64/442899164.db2.gz JYFVSLVBFGRFHR-JSGCOSHPSA-N 0 0 347.444 1.844 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ncccc1OCC(F)(F)F ZINC000189240632 442903204 /nfs/dbraw/zinc/90/32/04/442903204.db2.gz WLPPKKNHYVBYHX-VIFPVBQESA-N 0 0 331.294 1.373 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000189420965 442948831 /nfs/dbraw/zinc/94/88/31/442948831.db2.gz REVVJIQHCNKJEL-INIZCTEOSA-N 0 0 343.383 1.140 10 0 EDAERN Cn1ccc(CC(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000183230539 442908219 /nfs/dbraw/zinc/90/82/19/442908219.db2.gz MMEROLZPZCKIHI-QEJZJMRPSA-N 0 0 348.447 1.724 10 0 EDAERN CC(=O)CCc1ccc(OCCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000194599843 442920368 /nfs/dbraw/zinc/92/03/68/442920368.db2.gz SISCYMITBPZIIA-GOSISDBHSA-N 0 0 348.443 1.424 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2nc(COC)no2)ncn1 ZINC000183090264 318518684 /nfs/dbraw/zinc/51/86/84/318518684.db2.gz DRQUHBSACVYTJQ-NWDGAFQWSA-N 0 0 347.423 1.367 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N2CCc3ccccc32)C1 ZINC000189343929 442925909 /nfs/dbraw/zinc/92/59/09/442925909.db2.gz WJYTYLAPPGDUND-GOEBONIOSA-N 0 0 342.399 1.729 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCc2nnc(-c3ccccc3)o2)C1 ZINC000194628038 442927051 /nfs/dbraw/zinc/92/70/51/442927051.db2.gz NPSNYKREGJHOTD-CQSZACIVSA-N 0 0 330.388 1.116 10 0 EDAERN CCOc1ccccc1OCCCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194634074 442928169 /nfs/dbraw/zinc/92/81/69/442928169.db2.gz LJPRXFRUDSOQPP-HNNXBMFYSA-N 0 0 336.432 1.691 10 0 EDAERN COc1ccc(C[C@H](C)C(=O)N2CC(NC(=O)C3CC3)C2)cc1OC ZINC000189361612 442929154 /nfs/dbraw/zinc/92/91/54/442929154.db2.gz FUOLKHSYBJVIFP-LBPRGKRZSA-N 0 0 346.427 1.619 10 0 EDAERN CN1CCO[C@@H](CNC(=O)CCCc2nnc(-c3ccccc3)o2)C1 ZINC000194750944 442949633 /nfs/dbraw/zinc/94/96/33/442949633.db2.gz MUPLTJSVYAIHFB-HNNXBMFYSA-N 0 0 344.415 1.506 10 0 EDAERN Cc1nc(-c2ncccn2)sc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189372981 442932177 /nfs/dbraw/zinc/93/21/77/442932177.db2.gz NWCFWFSWGHPFTQ-UHFFFAOYSA-N 0 0 343.412 1.259 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](OC)c2ccccc2)CC1 ZINC000184799741 318538470 /nfs/dbraw/zinc/53/84/70/318538470.db2.gz VNXHZRYPZWFGKB-IAGOWNOFSA-N 0 0 335.448 1.472 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000194725460 442944111 /nfs/dbraw/zinc/94/41/11/442944111.db2.gz RRDCFJFQGQWDII-MRXNPFEDSA-N 0 0 338.407 1.978 10 0 EDAERN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194883724 442964679 /nfs/dbraw/zinc/96/46/79/442964679.db2.gz BCVJPMCKFSHTPA-HNNXBMFYSA-N 0 0 340.427 1.614 10 0 EDAERN CCN(CC(=O)NCc1ccc(F)cc1)Cc1nnc(C)n1CC ZINC000195015145 318594639 /nfs/dbraw/zinc/59/46/39/318594639.db2.gz GAKUHYOLVWSWOI-UHFFFAOYSA-N 0 0 333.411 1.884 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(Cc2csc(C)n2)CC1 ZINC000195126103 442984837 /nfs/dbraw/zinc/98/48/37/442984837.db2.gz NHQTVXPOSQYUBZ-INIZCTEOSA-N 0 0 327.494 1.747 10 0 EDAERN CC1=C(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)[C@H](C)n2ncnc2N1C ZINC000249629329 442996717 /nfs/dbraw/zinc/99/67/17/442996717.db2.gz UVGBCCYQQUMASA-SUNYJGFJSA-N 0 0 345.447 1.717 10 0 EDAERN O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1CNC(=O)C1 ZINC000194765715 442951055 /nfs/dbraw/zinc/95/10/55/442951055.db2.gz DUECHYHWKPMBQE-JTQLQIEISA-N 0 0 334.426 1.905 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000184465171 443024866 /nfs/dbraw/zinc/02/48/66/443024866.db2.gz GIFMYJDEAXYKIV-OAHLLOKOSA-N 0 0 334.395 1.819 10 0 EDAERN CCCS(=O)(=O)CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511490 443025614 /nfs/dbraw/zinc/02/56/14/443025614.db2.gz YXLILVUVKHODHT-CQSZACIVSA-N 0 0 340.493 1.966 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NC[C@](C)(O)c1ccc(F)cc1 ZINC000184522325 443034307 /nfs/dbraw/zinc/03/43/07/443034307.db2.gz PCSMMASCXSBGAM-WMZOPIPTSA-N 0 0 338.423 1.650 10 0 EDAERN CCCCCS(=O)(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000184606001 443048165 /nfs/dbraw/zinc/04/81/65/443048165.db2.gz XZAVONNNNDJQEP-CYBMUJFWSA-N 0 0 342.465 1.334 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000249752041 443004212 /nfs/dbraw/zinc/00/42/12/443004212.db2.gz IAEGHVYGJBBVBW-NSHDSACASA-N 0 0 332.857 1.241 10 0 EDAERN O=C(COc1cccnc1)N1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000223210666 443086485 /nfs/dbraw/zinc/08/64/85/443086485.db2.gz GQRBBHJXVYQWDM-GOSISDBHSA-N 0 0 342.399 1.533 10 0 EDAERN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(F)cc2F)n1 ZINC000224178851 443096808 /nfs/dbraw/zinc/09/68/08/443096808.db2.gz QRHWJRRVCATXFL-UHFFFAOYSA-N 0 0 348.353 1.830 10 0 EDAERN COc1cc(OC)cc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c1 ZINC000224348645 443098120 /nfs/dbraw/zinc/09/81/20/443098120.db2.gz KNFJURBMJHHLDP-UHFFFAOYSA-N 0 0 345.403 1.878 10 0 EDAERN CN(C(=O)NCCOCC(F)F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000190282376 443080503 /nfs/dbraw/zinc/08/05/03/443080503.db2.gz BHFKQPCUMCPYDN-GFCCVEGCSA-N 0 0 343.378 1.369 10 0 EDAERN COC(=O)c1coc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000184928202 443100176 /nfs/dbraw/zinc/10/01/76/443100176.db2.gz ZSENNYIORHLCNG-CYBMUJFWSA-N 0 0 344.371 1.597 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1=O ZINC000225547798 443112103 /nfs/dbraw/zinc/11/21/03/443112103.db2.gz LKHBAOUPFGNHIJ-HOTGVXAUSA-N 0 0 330.359 1.630 10 0 EDAERN Cc1coc2ccc(NC(=O)C(=O)N[C@@H]3CCCn4ncnc43)cc12 ZINC000184998832 443114296 /nfs/dbraw/zinc/11/42/96/443114296.db2.gz NYEPQXHBHDQARA-CYBMUJFWSA-N 0 0 339.355 1.923 10 0 EDAERN CCCCCC[C@H](NC(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000256365055 443115886 /nfs/dbraw/zinc/11/58/86/443115886.db2.gz QAHVMHDNURLFLM-JYJNAYRXSA-N 0 0 336.432 1.457 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ncnn2C)CC1 ZINC000190491596 443119646 /nfs/dbraw/zinc/11/96/46/443119646.db2.gz DTTZFJBNOCRXDX-CQSZACIVSA-N 0 0 337.468 1.443 10 0 EDAERN CCCN(CCC)C(=O)c1cccc(C(=O)N2CC(NC(C)=O)C2)c1 ZINC000190495434 443120214 /nfs/dbraw/zinc/12/02/14/443120214.db2.gz DAHTVJAKKXNZBB-UHFFFAOYSA-N 0 0 345.443 1.909 10 0 EDAERN CC(=O)NC1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 ZINC000190511218 443123756 /nfs/dbraw/zinc/12/37/56/443123756.db2.gz KSMQVFYPUMBCPQ-UHFFFAOYSA-N 0 0 349.337 1.899 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(Br)ccc2F)C1 ZINC000185259783 443171929 /nfs/dbraw/zinc/17/19/29/443171929.db2.gz KQEWLRXECLNLHN-UHFFFAOYSA-N 0 0 345.168 1.175 10 0 EDAERN COC(=O)c1cccc(-c2nc(CN3C[C@@H](O)C[C@@H]3CO)cs2)c1 ZINC000185185724 443156294 /nfs/dbraw/zinc/15/62/94/443156294.db2.gz QPFNSXNPAOSGIJ-CABCVRRESA-N 0 0 348.424 1.524 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000190666944 443160605 /nfs/dbraw/zinc/16/06/05/443160605.db2.gz JOAVPBXKBVZPPZ-QMMMGPOBSA-N 0 0 344.198 1.669 10 0 EDAERN Cc1nnc(-c2cccc(C(=O)N3CCN(C[C@H](C)O)[C@@H](C)C3)c2)o1 ZINC000245434356 443227365 /nfs/dbraw/zinc/22/73/65/443227365.db2.gz PRIUCWKTFDJTTD-STQMWFEESA-N 0 0 344.415 1.572 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000185676006 443237623 /nfs/dbraw/zinc/23/76/23/443237623.db2.gz AQUBKQOWAVJISV-OWCLPIDISA-N 0 0 331.416 1.827 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](c2ncccc2C)C(C)C)C1 ZINC000185442637 443199945 /nfs/dbraw/zinc/19/99/45/443199945.db2.gz IXAPJUFOLHBGRM-OAHLLOKOSA-N 0 0 334.420 1.244 10 0 EDAERN CCN(CCNC(=O)N1CCCNC(=O)[C@@H]1C)c1cccc(C)c1 ZINC000191146554 443248259 /nfs/dbraw/zinc/24/82/59/443248259.db2.gz ZHDBLBRVOMSLOL-HNNXBMFYSA-N 0 0 332.448 1.741 10 0 EDAERN NC(=O)c1csc(CNCc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185756009 443251606 /nfs/dbraw/zinc/25/16/06/443251606.db2.gz RAAYBRZSEADLSY-UHFFFAOYSA-N 0 0 343.412 1.834 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000191312814 443276050 /nfs/dbraw/zinc/27/60/50/443276050.db2.gz UEWDSKVFHZJSCU-SZMVWBNQSA-N 0 0 332.444 1.679 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(=O)n(C)c2)C12CCOCC2 ZINC000185932421 443286823 /nfs/dbraw/zinc/28/68/23/443286823.db2.gz OLUZEUBCPGGRMM-ZIAGYGMSSA-N 0 0 335.404 1.481 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](CO)c2ccccc2)C12CCOCC2 ZINC000185954582 443289728 /nfs/dbraw/zinc/28/97/28/443289728.db2.gz YCSPXMIXIFCHRF-GVDBMIGSSA-N 0 0 348.443 1.993 10 0 EDAERN CC(=O)NC1CN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000191477994 443301039 /nfs/dbraw/zinc/30/10/39/443301039.db2.gz FTOXMNIWNUSKQG-UHFFFAOYSA-N 0 0 346.362 1.545 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)/C=C\c3cncc(O)c3)C2)no1 ZINC000492478790 320380498 /nfs/dbraw/zinc/38/04/98/320380498.db2.gz YDSVRVXTZLZNGZ-WSNITJDQSA-N 0 0 328.372 1.973 10 0 EDAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)Nc1ccncc1 ZINC000328638153 444407159 /nfs/dbraw/zinc/40/71/59/444407159.db2.gz OYULJZKNPCTZLD-HOCLYGCPSA-N 0 0 344.394 1.370 10 0 EDAERN CC1CCC(=Cc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)o2)CC1 ZINC000328654527 444416464 /nfs/dbraw/zinc/41/64/64/444416464.db2.gz XNERQSNRCBWDDL-YUZLPWPTSA-N 0 0 341.433 1.996 10 0 EDAERN Cn1cc([C@H]2[C@H](CNc3ncnc4c3CCCC4)CC(=O)N2C)cn1 ZINC000328608786 444391943 /nfs/dbraw/zinc/39/19/43/444391943.db2.gz BFLWMPXDYKEPRN-YVEFUNNKSA-N 0 0 340.431 1.720 10 0 EDAERN Cc1nc(S(=O)(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)c[nH]1 ZINC000328613169 444394078 /nfs/dbraw/zinc/39/40/78/444394078.db2.gz QYOICSZVUBFYMD-NWDGAFQWSA-N 0 0 327.431 1.176 10 0 EDAERN CCN1CCN(C(=O)CC[C@@H]2CCCOC2)C[C@H]1c1nccn1C ZINC000328622798 444398521 /nfs/dbraw/zinc/39/85/21/444398521.db2.gz IQKWTTVJGGLNOS-HOTGVXAUSA-N 0 0 334.464 1.832 10 0 EDAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000580693537 322082579 /nfs/dbraw/zinc/08/25/79/322082579.db2.gz VAJRJPNFKWTDTM-MLGOLLRUSA-N 0 0 331.416 1.045 10 0 EDAERN COc1c(F)c(I)ccc1S(N)(=O)=O ZINC000575705199 447881233 /nfs/dbraw/zinc/88/12/33/447881233.db2.gz KIIMXGRXKYZQBY-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN CCOC(=O)Cc1c(I)cc(N)cc1OC ZINC000575725777 447883636 /nfs/dbraw/zinc/88/36/36/447883636.db2.gz VQVCHZJEWPHTNG-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN CCOC(=O)CCC1(CCC(=O)OCC)C(=O)OC(C)(C)OC1=O ZINC000504815724 448109440 /nfs/dbraw/zinc/10/94/40/448109440.db2.gz VBRYYLKXUUYJJE-UHFFFAOYSA-N 0 0 344.360 1.496 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccccc1Br ZINC000174421579 533712119 /nfs/dbraw/zinc/71/21/19/533712119.db2.gz VIIVQEWJKWPIAG-GWCFXTLKSA-N 0 0 327.222 1.957 10 0 EDAERN Cc1cn2nc(N[C@@H]3CCN(C(=O)c4csnc4C)C3)ccc2n1 ZINC000560742772 448226714 /nfs/dbraw/zinc/22/67/14/448226714.db2.gz BNZFJIVHZGBWSX-GFCCVEGCSA-N 0 0 342.428 2.129 10 0 EDAERN Cc1ccc(F)c(C(=O)NC[C@@H]2C[C@@H](c3nnc[nH]3)C[C@@H]2O)c1F ZINC000527559303 448284278 /nfs/dbraw/zinc/28/42/78/448284278.db2.gz AMFWPDKSRVIOHC-SCVCMEIPSA-N 0 0 336.342 1.676 10 0 EDAERN CCn1cc(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c2ccccc21 ZINC000583619020 448448368 /nfs/dbraw/zinc/44/83/68/448448368.db2.gz VLBICLFRKGPKIG-SFHVURJKSA-N 0 0 339.399 1.903 10 0 EDAERN O=C(c1cccn1C1CCCC1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583619052 448449690 /nfs/dbraw/zinc/44/96/90/448449690.db2.gz ZSKWQQXOLGIHRT-QGZVFWFLSA-N 0 0 329.404 1.845 10 0 EDAERN CCC1=C(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)CCCO1 ZINC000583621331 448451496 /nfs/dbraw/zinc/45/14/96/448451496.db2.gz RGVUWQCKVTTWND-QGZVFWFLSA-N 0 0 334.420 1.753 10 0 EDAERN Cn1cncc1CCC(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000583620970 448452306 /nfs/dbraw/zinc/45/23/06/448452306.db2.gz VDGVZAKURUIHRI-HKUYNNGSSA-N 0 0 342.443 1.541 10 0 EDAERN CCOC(=O)[C@H](N)[C@@H](O)c1cccnc1NC(=O)OC(C)(C)C ZINC000536961271 448548667 /nfs/dbraw/zinc/54/86/67/448548667.db2.gz WTFYPPXJZLCWOC-MNOVXSKESA-N 0 0 325.365 1.352 10 0 EDAERN C=CC(=O)NC(=O)OCC(C)(CCC)COC(=O)NC(=O)C=C ZINC000584600935 448583541 /nfs/dbraw/zinc/58/35/41/448583541.db2.gz UZKLWLQPYIWWDU-UHFFFAOYSA-N 0 0 326.349 1.670 10 0 EDAERN COCCNC(=O)c1cc(I)c(C)[nH]c1=O ZINC000584633072 448587443 /nfs/dbraw/zinc/58/74/43/448587443.db2.gz SMOGPLAEDNLJNF-UHFFFAOYSA-N 0 0 336.129 1.076 10 0 EDAERN CC(C)Oc1cc2c(cc1C(N)=O)nccc2OC[C@H]1COCO1 ZINC000584640430 448588715 /nfs/dbraw/zinc/58/87/15/448588715.db2.gz GSZSBMSWFOHLKA-LLVKDONJSA-N 0 0 332.356 1.873 10 0 EDAERN Nc1ccn(C[C@H]2CS[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000584661729 448589574 /nfs/dbraw/zinc/58/95/74/448589574.db2.gz JUMVXIXNCFYNJY-JSGCOSHPSA-N 0 0 347.396 1.383 10 0 EDAERN COCOc1cccc(C(=O)N(C)C)c1I ZINC000584657861 448589633 /nfs/dbraw/zinc/58/96/33/448589633.db2.gz PNYJGDFEEWNQQS-UHFFFAOYSA-N 0 0 335.141 1.976 10 0 EDAERN COc1ccc(-c2cnc(N)c(C(=O)NCC(C)(C)CO)n2)cc1 ZINC000584661698 448590779 /nfs/dbraw/zinc/59/07/79/448590779.db2.gz IBVDANBHDXXMPH-UHFFFAOYSA-N 0 0 330.388 1.483 10 0 EDAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C/C=C\c2ccc(F)cc2F)CCO1 ZINC000520539527 448907786 /nfs/dbraw/zinc/90/77/86/448907786.db2.gz CPBWEOKQSGHYIE-GWQWAINWSA-N 0 0 340.370 1.695 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)Nc2ncc(C)o2)[C@H]1c1nccn1C ZINC000622818034 450309079 /nfs/dbraw/zinc/30/90/79/450309079.db2.gz YJUCRKSIPDSLQQ-AAEUAGOBSA-N 0 0 331.376 1.655 10 0 EDAERN CN1C[C@H](CNC(=O)c2ccc(F)c(Br)c2)CC1=O ZINC000619003405 450372187 /nfs/dbraw/zinc/37/21/87/450372187.db2.gz IEAGXZYTARLPTB-QMMMGPOBSA-N 0 0 329.169 1.796 10 0 EDAERN CCOc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)on1 ZINC000619289698 450447246 /nfs/dbraw/zinc/44/72/46/450447246.db2.gz WEYDVORZSHUJST-XHDPSFHLSA-N 0 0 334.376 1.705 10 0 EDAERN Cc1ccn(CC(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)c(=O)c1 ZINC000619291431 450447691 /nfs/dbraw/zinc/44/76/91/450447691.db2.gz GCUOEPXMEWVEGC-KBXCAEBGSA-N 0 0 344.415 1.174 10 0 EDAERN Nc1cc([C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)ccn1 ZINC000616594873 450454760 /nfs/dbraw/zinc/45/47/60/450454760.db2.gz RREKJVNTYUXISW-CQSZACIVSA-N 0 0 333.413 1.469 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616635224 450455950 /nfs/dbraw/zinc/45/59/50/450455950.db2.gz AFLAZLBGEDTQCV-HNNXBMFYSA-N 0 0 349.431 1.856 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1ccccc1C(N)=O ZINC000616640790 450457118 /nfs/dbraw/zinc/45/71/18/450457118.db2.gz NSZRSPLFCGFOCR-HNNXBMFYSA-N 0 0 349.431 1.684 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2ccccc2C(N)=O)C1 ZINC000616646043 450457586 /nfs/dbraw/zinc/45/75/86/450457586.db2.gz HBLRVUQQTQREBA-OAHLLOKOSA-N 0 0 349.431 1.684 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1cccc(N)n1 ZINC000616658558 450457824 /nfs/dbraw/zinc/45/78/24/450457824.db2.gz VOJRQYQYNXQYIR-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN CN(C(=O)OC(C)(C)C)[C@@H]1Cc2ccccc2N(S(N)(=O)=O)C1 ZINC000616669868 450458833 /nfs/dbraw/zinc/45/88/33/450458833.db2.gz NULAPZIMGPXMSG-GFCCVEGCSA-N 0 0 341.433 1.488 10 0 EDAERN CS(=O)(=O)N1C[C@H](c2ccccc2C(N)=O)Cc2ccccc21 ZINC000616674677 450459179 /nfs/dbraw/zinc/45/91/79/450459179.db2.gz WYKHPDWRRQTPBC-CYBMUJFWSA-N 0 0 330.409 1.891 10 0 EDAERN Cn1cc(O[C@@H]2CN(c3ncnc4c3CCCCC4)C[C@H]2O)cn1 ZINC000624422678 450844837 /nfs/dbraw/zinc/84/48/37/450844837.db2.gz CMBIIINZNCRRIZ-HZPDHXFCSA-N 0 0 329.404 1.108 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000643718841 452521604 /nfs/dbraw/zinc/52/16/04/452521604.db2.gz JIVCUDAMXQKGKN-HIFRSBDPSA-N 0 0 349.412 1.591 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)Nc2cnn(C)c2)[C@H]1c1ccnn1C ZINC000666264437 452727485 /nfs/dbraw/zinc/72/74/85/452727485.db2.gz MDBZPLCGJVXUGJ-WFASDCNBSA-N 0 0 330.392 1.092 10 0 EDAERN Cn1cc(NC(=O)CN2CCCC[C@@H](O)C2=O)c(-c2ccccc2)n1 ZINC000644415838 453428457 /nfs/dbraw/zinc/42/84/57/453428457.db2.gz BRSOWBJBIUDVCN-OAHLLOKOSA-N 0 0 342.399 1.399 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(c3ncnc4onc(C)c43)CC2)n1 ZINC000192451391 486858190 /nfs/dbraw/zinc/85/81/90/486858190.db2.gz JMZYROXDDRMFOR-LLVKDONJSA-N 0 0 343.391 1.755 10 0 EDAERN O[C@]1(Cn2ccnn2)CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000671553165 486650082 /nfs/dbraw/zinc/65/00/82/486650082.db2.gz KCIDVHWDHVBNSG-QGZVFWFLSA-N 0 0 325.372 1.570 10 0 EDAERN C[C@@]1(CNC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCCO1 ZINC000133202148 491220393 /nfs/dbraw/zinc/22/03/93/491220393.db2.gz UNAATIPAVZFDGP-HKUYNNGSSA-N 0 0 347.459 1.274 10 0 EDAERN CN(C)c1ncncc1N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000065307585 490997348 /nfs/dbraw/zinc/99/73/48/490997348.db2.gz BYCGPQHWEDFGKT-UHFFFAOYSA-N 0 0 340.431 1.470 10 0 EDAERN CC(=O)N1CCCN(C[C@@H](O)CN2CCCC2=O)c2ccccc21 ZINC000126535868 491015055 /nfs/dbraw/zinc/01/50/55/491015055.db2.gz WDIIPYGSSNJDOZ-OAHLLOKOSA-N 0 0 331.416 1.233 10 0 EDAERN COC[C@H]1CN(S(=O)(=O)c2ccccc2F)CC12CCOCC2 ZINC000075874109 491016446 /nfs/dbraw/zinc/01/64/46/491016446.db2.gz KGSYZOBASNLKEJ-CYBMUJFWSA-N 0 0 343.420 1.889 10 0 EDAERN CN(CCc1ccccn1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000054484839 500772512 /nfs/dbraw/zinc/77/25/12/500772512.db2.gz RXZZABCIPZRCSA-QGZVFWFLSA-N 0 0 336.399 1.553 10 0 EDAERN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177560002 533721227 /nfs/dbraw/zinc/72/12/27/533721227.db2.gz OHRRRJRSCRUCCH-RYUDHWBXSA-N 0 0 337.424 1.732 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H]1N1CCOCC1 ZINC000173878909 533875983 /nfs/dbraw/zinc/87/59/83/533875983.db2.gz HDUNFKRWPGLMMO-XJKSGUPXSA-N 0 0 342.399 1.529 10 0 EDAERN C[C@H]1CN(C(=O)c2cccnc2C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000179514310 533887412 /nfs/dbraw/zinc/88/74/12/533887412.db2.gz JBEOSYFPXVLKRF-AAEUAGOBSA-N 0 0 343.349 1.893 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H](C)[C@@H]3CCCO3)C2=O)n(C)n1 ZINC000174951608 533895044 /nfs/dbraw/zinc/89/50/44/533895044.db2.gz VVQDGPXFNVSVDY-RDBSUJKOSA-N 0 0 349.435 1.091 10 0 EDAERN COc1cc(F)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1F ZINC000157852528 533978690 /nfs/dbraw/zinc/97/86/90/533978690.db2.gz MUKJAZOYCFHXBQ-BXKDBHETSA-N 0 0 342.342 1.579 10 0 EDAERN Cc1ccc(CNC(=O)CN2CCC[C@H](n3cncn3)C2)cc1F ZINC000171701522 533984086 /nfs/dbraw/zinc/98/40/86/533984086.db2.gz YAEWPMDXXXBTFX-HNNXBMFYSA-N 0 0 331.395 1.679 10 0 EDAERN CS[C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178649656 534055022 /nfs/dbraw/zinc/05/50/22/534055022.db2.gz WTKBFJRSVBVISC-NEPJUHHUSA-N 0 0 339.465 1.275 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3C[C@H](N4CCOCC4)[C@@H](C)C3)[nH]n2)o1 ZINC000173830612 534173987 /nfs/dbraw/zinc/17/39/87/534173987.db2.gz OXQOJOPZTGWUBR-LRDDRELGSA-N 0 0 344.415 1.771 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000154525660 534180044 /nfs/dbraw/zinc/18/00/44/534180044.db2.gz UNRDWCHERPLBPL-ZIAGYGMSSA-N 0 0 334.420 1.547 10 0 EDAERN Cc1ccc(-n2[n-]c(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2=O)cc1 ZINC000174662605 534237138 /nfs/dbraw/zinc/23/71/38/534237138.db2.gz PSDCPAZECSYNAU-HNNXBMFYSA-N 0 0 326.400 1.394 10 0 EDAERN COC(=O)c1coc(C(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000183594312 534313305 /nfs/dbraw/zinc/31/33/05/534313305.db2.gz BILDIUUFWQKOSX-SNVBAGLBSA-N 0 0 348.359 1.277 10 0 EDAERN COC(=O)c1nn(-c2ccc(F)c(Br)c2)ccc1=O ZINC000164507508 534368323 /nfs/dbraw/zinc/36/83/23/534368323.db2.gz ZCHFOITVNKLVNI-UHFFFAOYSA-N 0 0 327.109 1.921 10 0 EDAERN C[C@@H]1CN(C(=O)c2c(Cl)nc3ccccn32)C[C@@H]1N1CCOCC1 ZINC000173964533 534393828 /nfs/dbraw/zinc/39/38/28/534393828.db2.gz FICKBYQMMPDHRE-OLZOCXBDSA-N 0 0 348.834 1.780 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@H]1N1CCOCC1 ZINC000173869815 534407928 /nfs/dbraw/zinc/40/79/28/534407928.db2.gz WVNUHTQBIVJULJ-CZUORRHYSA-N 0 0 342.395 1.586 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@@H]1N1CCOCC1 ZINC000173957304 534410551 /nfs/dbraw/zinc/41/05/51/534410551.db2.gz JJKREGHBERJDPW-PBHICJAKSA-N 0 0 341.415 1.060 10 0 EDAERN O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128957185 534453644 /nfs/dbraw/zinc/45/36/44/534453644.db2.gz WJORYBKAUXYKSV-GHMZBOCLSA-N 0 0 343.305 1.264 10 0 EDAERN CCC[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)CCO1 ZINC000188653719 520833845 /nfs/dbraw/zinc/83/38/45/520833845.db2.gz OOZUOJGCENCVNS-MRXNPFEDSA-N 0 0 345.443 1.895 10 0 EDAERN O=S1CCC(Nc2nc(Cl)nc(N3CCCCC3)n2)CC1 ZINC000158927437 534878568 /nfs/dbraw/zinc/87/85/68/534878568.db2.gz QRQTUTMUVVMQLT-UHFFFAOYSA-N 0 0 329.857 1.838 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC000189727176 526708790 /nfs/dbraw/zinc/70/87/90/526708790.db2.gz QUNAKEQIFSXWMR-HNNXBMFYSA-N 0 0 338.839 1.473 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000033905789 526976086 /nfs/dbraw/zinc/97/60/86/526976086.db2.gz QCDSCFYAXGRPJT-INIZCTEOSA-N 0 0 337.851 1.445 10 0 EDAERN CC(C)NC(=O)[C@H]1COCCN1c1ccc(N)cc1Br ZINC000159292572 527716964 /nfs/dbraw/zinc/71/69/64/527716964.db2.gz MIQCMXIJTJLFBU-CYBMUJFWSA-N 0 0 342.237 1.761 10 0 EDAERN CC(C)[C@H](O)CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000154768518 527718544 /nfs/dbraw/zinc/71/85/44/527718544.db2.gz OYDJFSHCMWQLRR-MRXNPFEDSA-N 0 0 333.432 1.176 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C12CCOCC2 ZINC000186463673 527934251 /nfs/dbraw/zinc/93/42/51/527934251.db2.gz RZTBCWUBEJKJNX-LSDHHAIUSA-N 0 0 344.415 1.970 10 0 EDAERN CCCC(=O)Nc1ccc(CNC(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000156002193 527957446 /nfs/dbraw/zinc/95/74/46/527957446.db2.gz NMOJBWGZBQWBAK-HNNXBMFYSA-N 0 0 346.431 1.845 10 0 EDAERN CC(C)CNC(=O)[C@@H](C)n1cnc(Cl)c(Br)c1=O ZINC000164875982 528053592 /nfs/dbraw/zinc/05/35/92/528053592.db2.gz ZLUKOUWVHABXKS-SSDOTTSWSA-N 0 0 336.617 1.992 10 0 EDAERN CCN(CC)c1nc(N)c(C(=O)N[C@@H](C)CC[S@](C)=O)s1 ZINC000163721136 528315878 /nfs/dbraw/zinc/31/58/78/528315878.db2.gz TUNVGNSULWMHIR-JLTPVHFHSA-N 0 0 332.495 1.458 10 0 EDAERN CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183364301 528382243 /nfs/dbraw/zinc/38/22/43/528382243.db2.gz RRYDQROEPVKYOO-WFASDCNBSA-N 0 0 340.445 1.211 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H](CCO)c1ccco1)CC2 ZINC000187408484 528480448 /nfs/dbraw/zinc/48/04/48/528480448.db2.gz QHRQSABNOLQKIR-CHWSQXEVSA-N 0 0 347.419 1.732 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000175002386 528737014 /nfs/dbraw/zinc/73/70/14/528737014.db2.gz KJEYKSOGDIQAQM-AWEZNQCLSA-N 0 0 337.449 1.798 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3ccnnc3)CC2)cn1 ZINC000131532090 528842075 /nfs/dbraw/zinc/84/20/75/528842075.db2.gz ZIZRUIYEQHTACJ-UHFFFAOYSA-N 0 0 328.420 1.431 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC)C1)c1ccccc1C ZINC000173816174 528872919 /nfs/dbraw/zinc/87/29/19/528872919.db2.gz CTKHXRHTVCUGFH-GDBMZVCRSA-N 0 0 346.427 1.974 10 0 EDAERN CC(C)N1CC[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)C1=O ZINC000155152278 529080067 /nfs/dbraw/zinc/08/00/67/529080067.db2.gz NOVBAXODGRARSE-AWEZNQCLSA-N 0 0 346.435 1.072 10 0 EDAERN CC[C@H]1CCCCN1C(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176563665 529198891 /nfs/dbraw/zinc/19/88/91/529198891.db2.gz ZDYJFPGHSDPHEL-YTEVENLXSA-N 0 0 327.454 1.294 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)c2nc(C)cs2)CC1 ZINC000186813452 529226468 /nfs/dbraw/zinc/22/64/68/529226468.db2.gz LAWKLMBJHMKWPE-TZMCWYRMSA-N 0 0 340.493 1.653 10 0 EDAERN CC(C)Cn1ncc(C(=O)N2CCCNC(=O)[C@@H]2C)c1C(F)F ZINC000191769526 534925164 /nfs/dbraw/zinc/92/51/64/534925164.db2.gz SWIAKRQTTDAQFT-JTQLQIEISA-N 0 0 328.363 1.827 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1n[nH]c3c1CCCC3)CC2 ZINC000195287755 535029490 /nfs/dbraw/zinc/02/94/90/535029490.db2.gz OTGNVXCSZSJQDS-LLVKDONJSA-N 0 0 328.420 1.748 10 0 EDAERN CCC(CC)N1C[C@@H](C(=O)N2CCN(CCOC)[C@@H](C)C2)CC1=O ZINC000247215056 535051824 /nfs/dbraw/zinc/05/18/24/535051824.db2.gz UXNAWDOEHWWGFE-GJZGRUSLSA-N 0 0 339.480 1.203 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCCO2)C[C@@H]1C ZINC000246938967 535600104 /nfs/dbraw/zinc/60/01/04/535600104.db2.gz CCRGRTDEXIJUEV-ULQDDVLXSA-N 0 0 342.480 1.530 10 0 EDAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccco3)CC2)n1 ZINC000188685035 535897750 /nfs/dbraw/zinc/89/77/50/535897750.db2.gz URJBSWRQAILHKL-NSHDSACASA-N 0 0 340.405 1.293 10 0 EDAERN CNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246438655 536326013 /nfs/dbraw/zinc/32/60/13/536326013.db2.gz DABBVVDVSAKOPL-FZMZJTMJSA-N 0 0 335.379 1.707 10 0 EDAERN CN[C@@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1cnn(C)c1 ZINC000262034691 536334148 /nfs/dbraw/zinc/33/41/48/536334148.db2.gz FLUFHKKIOWTVLY-QGZVFWFLSA-N 0 0 340.427 1.802 10 0 EDAERN CN[C@@H](C(=O)NC[C@H](O)c1cc2ccccc2s1)c1cnn(C)c1 ZINC000262546400 536335258 /nfs/dbraw/zinc/33/52/58/536335258.db2.gz OCZPJVOMTJOTJO-XJKSGUPXSA-N 0 0 344.440 1.745 10 0 EDAERN COCc1nc2n(n1)C[C@H](NS(=O)(=O)/C=C/c1ccccc1)CC2 ZINC000129071997 536825113 /nfs/dbraw/zinc/82/51/13/536825113.db2.gz PCHCXJOXDNHATR-ATWMFIQVSA-N 0 0 348.428 1.330 10 0 EDAERN COc1ccc(C[C@@H](C)C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000136435761 536900056 /nfs/dbraw/zinc/90/00/56/536900056.db2.gz FTGCUBNVDHUZCQ-MLGOLLRUSA-N 0 0 344.415 1.900 10 0 EDAERN Cn1cc([C@H]2CN(S(=O)(=O)/C=C\c3ccccc3)CCO2)cn1 ZINC000751254308 579799322 /nfs/dbraw/zinc/79/93/22/579799322.db2.gz WVQMCCAMYSFBOE-BSDKJSHOSA-N 0 0 333.413 1.794 10 0 EDAERN Cn1cnnc1C[C@]1(O)CCCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000888076888 590933435 /nfs/dbraw/zinc/93/34/35/590933435.db2.gz UEXRWBHMOCRGLV-MRXNPFEDSA-N 0 0 334.424 1.065 10 0 EDAERN COc1nccnc1CN1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818190921 593680261 /nfs/dbraw/zinc/68/02/61/593680261.db2.gz LDRXXVZIWOFHRD-KRWDZBQOSA-N 0 0 345.403 1.315 10 0 EDAERN CCn1cc(C(=O)N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)cn1 ZINC000818493286 593701050 /nfs/dbraw/zinc/70/10/50/593701050.db2.gz JLNLCPOZOQYIRG-KRWDZBQOSA-N 0 0 345.403 1.373 10 0 EDAERN O=C(OCCCOc1ccc(Br)cc1)[C@H]1CNC(=O)C1 ZINC000114986907 596190369 /nfs/dbraw/zinc/19/03/69/596190369.db2.gz MSSMUVCRZWCZTH-SNVBAGLBSA-N 0 0 342.189 1.897 10 0 EDAERN CC(=O)N1CSC[C@H]1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112664632 596204913 /nfs/dbraw/zinc/20/49/13/596204913.db2.gz JCFNHDLZVOACDT-AWEZNQCLSA-N 0 0 336.461 1.350 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2cc3ccccc3nn2)CC1 ZINC000888609624 597057164 /nfs/dbraw/zinc/05/71/64/597057164.db2.gz YJMYEOKBGJFPIO-AWEZNQCLSA-N 0 0 329.404 1.550 10 0 EDAERN CC[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(F)cc1 ZINC000126549348 597522490 /nfs/dbraw/zinc/52/24/90/597522490.db2.gz NKLBRCFBIKKBON-CQSZACIVSA-N 0 0 344.346 1.964 10 0 EDAERN CC(C)n1nnnc1CN1C(=O)N[C@@](C)(c2cccnc2Cl)C1=O ZINC000127358134 597718667 /nfs/dbraw/zinc/71/86/67/597718667.db2.gz HQUJGQAGDIRNEH-AWEZNQCLSA-N 0 0 349.782 1.270 10 0 EDAERN CCc1csc([C@@H]2CCCN(Cn3nc4cnccn4c3=O)C2)n1 ZINC000132078119 597788058 /nfs/dbraw/zinc/78/80/58/597788058.db2.gz VOPXUFVGOVOGPU-GFCCVEGCSA-N 0 0 344.444 1.747 10 0 EDAERN Cc1ccc(=O)n(CN2CCCN(C(=O)CC3CCCC3)CC2)n1 ZINC000089610831 696511736 /nfs/dbraw/zinc/51/17/36/696511736.db2.gz AXFZGHZYKHBLDY-UHFFFAOYSA-N 0 0 332.448 1.624 10 0 EDAERN Cn1ncc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1N ZINC000184853920 698493766 /nfs/dbraw/zinc/49/37/66/698493766.db2.gz SDETXAWVPMDPKJ-YOGCLGLASA-N 0 0 349.435 1.663 10 0 EDAERN CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180250995 698700159 /nfs/dbraw/zinc/70/01/59/698700159.db2.gz VEZFPTDDDNZGAE-NWDGAFQWSA-N 0 0 325.453 1.901 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ncccc1C ZINC000180265139 698707739 /nfs/dbraw/zinc/70/77/39/698707739.db2.gz BVSWRHQBDFBXID-AWEZNQCLSA-N 0 0 326.418 1.637 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000185043299 698850933 /nfs/dbraw/zinc/85/09/33/698850933.db2.gz ICRVMLGCOGIVRK-LBPRGKRZSA-N 0 0 330.331 1.747 10 0 EDAERN C[C@@H]1C[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC(C)(C)C1 ZINC000182630145 700934867 /nfs/dbraw/zinc/93/48/67/700934867.db2.gz GVRQZGIWJSEAHJ-HZSPNIEDSA-N 0 0 330.494 1.941 10 0 EDAERN CCO[C@H]1C[C@H](N(C)Cn2ncc3cn(C)nc3c2=O)C12CCCC2 ZINC000186090410 701334486 /nfs/dbraw/zinc/33/44/86/701334486.db2.gz LTAJUPKCPIWGPN-GJZGRUSLSA-N 0 0 345.447 1.757 10 0 EDAERN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NCC(=O)NCC1CC1 ZINC000183793009 702622224 /nfs/dbraw/zinc/62/22/24/702622224.db2.gz UFRIWWFFOHZXBX-INIZCTEOSA-N 0 0 333.432 1.586 10 0 EDAERN CC(C)Nc1ncnc2c1ncn2CN1CCO[C@]2(CCOC2)C1 ZINC000184268866 703095451 /nfs/dbraw/zinc/09/54/51/703095451.db2.gz RUPSZYSUNJOKCB-MRXNPFEDSA-N 0 0 332.408 1.095 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(F)(F)F ZINC000083770295 703700310 /nfs/dbraw/zinc/70/03/10/703700310.db2.gz ZDVDVPPGBSVQNH-YUMQZZPRSA-N 0 0 343.298 1.987 10 0 EDAERN CCC(CC)(CNC(=O)N[C@H]1CCCn2nc(C)nc21)C(=O)OC ZINC000163505234 282108416 /nfs/dbraw/zinc/10/84/16/282108416.db2.gz FKZSIUGAMHUBPG-LBPRGKRZSA-N 0 0 337.424 1.700 10 0 EDAERN Cc1nc(N)sc1C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000055172704 214283419 /nfs/dbraw/zinc/28/34/19/214283419.db2.gz HCOONPAOVOZGAT-UHFFFAOYSA-N 0 0 346.821 1.587 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C(=O)OC)C2)C1 ZINC000174693376 231281880 /nfs/dbraw/zinc/28/18/80/231281880.db2.gz YOUPRBCJABVGMB-SOUVJXGZSA-N 0 0 348.447 1.983 10 0 EDAERN CC[C@@]1(C)NC(=O)[C@@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168894975 529540187 /nfs/dbraw/zinc/54/01/87/529540187.db2.gz SOHUPDQKNHJQLQ-YMTOWFKASA-N 0 0 340.221 1.860 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cnccc1C ZINC000177979601 282215816 /nfs/dbraw/zinc/21/58/16/282215816.db2.gz SNJOPOUKXFAYIT-CQSZACIVSA-N 0 0 327.388 1.525 10 0 EDAERN CCN(C(=O)C1(c2ccccc2F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000062091483 214697157 /nfs/dbraw/zinc/69/71/57/214697157.db2.gz MFJBOVKWMSOYTF-GFCCVEGCSA-N 0 0 325.405 1.893 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173691062 529783341 /nfs/dbraw/zinc/78/33/41/529783341.db2.gz GIERBUNRHLDHLV-HNNXBMFYSA-N 0 0 342.403 1.146 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000179505272 529902365 /nfs/dbraw/zinc/90/23/65/529902365.db2.gz LTKNFUZASZPJTJ-BBRMVZONSA-N 0 0 333.432 1.794 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cnc(Br)c(C)c1 ZINC000182413693 529923977 /nfs/dbraw/zinc/92/39/77/529923977.db2.gz OBLPZSXLCSJYFJ-SNVBAGLBSA-N 0 0 341.209 1.895 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2ncccc2Br)C1 ZINC000231764878 539414454 /nfs/dbraw/zinc/41/44/54/539414454.db2.gz FFWGVCIZZBEOOO-SNVBAGLBSA-N 0 0 328.210 1.295 10 0 EDAERN O=c1ccc2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3CO)ccc2o1 ZINC000178918257 232603955 /nfs/dbraw/zinc/60/39/55/232603955.db2.gz SRVWZZPLALTHDE-JSGCOSHPSA-N 0 0 337.397 1.622 10 0 EDAERN C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C1CCOCC1 ZINC000152399250 539809744 /nfs/dbraw/zinc/80/97/44/539809744.db2.gz VNIITLDWCWKOAN-NEPJUHHUSA-N 0 0 330.384 1.602 10 0 EDAERN Fc1ccc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)cc1 ZINC000063527064 282988561 /nfs/dbraw/zinc/98/85/61/282988561.db2.gz NVSSWVGHLKUGHR-GOSISDBHSA-N 0 0 344.390 1.728 10 0 EDAERN [NH3+][C@H](CS[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O)C(=O)[O-] ZINC000019720215 202016938 /nfs/dbraw/zinc/01/69/38/202016938.db2.gz ZFTROWHNUTUWLI-OCCSQVGLSA-N 0 0 344.392 1.617 10 0 EDAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178478265 540110556 /nfs/dbraw/zinc/11/05/56/540110556.db2.gz QZVLNRHARNLOJZ-RDTXWAMCSA-N 0 0 346.431 1.385 10 0 EDAERN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)o1 ZINC000181005753 540123308 /nfs/dbraw/zinc/12/33/08/540123308.db2.gz ZBLGDFVUOGMZLS-NSHDSACASA-N 0 0 339.417 1.668 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCCOC(C)C ZINC000183353233 540137991 /nfs/dbraw/zinc/13/79/91/540137991.db2.gz JMLJZGLNLUWGJY-AWEZNQCLSA-N 0 0 334.482 1.512 10 0 EDAERN CCC1CCC(NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000183498718 540138424 /nfs/dbraw/zinc/13/84/24/540138424.db2.gz ZBWVBFUVCKSDRW-HSBZDZAISA-N 0 0 331.482 1.631 10 0 EDAERN COc1ccc(O)cc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000186813691 540152351 /nfs/dbraw/zinc/15/23/51/540152351.db2.gz JHJZXHCOHSBXBJ-UHFFFAOYSA-N 0 0 346.387 1.440 10 0 EDAERN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000184299433 235360469 /nfs/dbraw/zinc/36/04/69/235360469.db2.gz RKFMYRVLUAHGSU-HNNXBMFYSA-N 0 0 346.427 1.697 10 0 EDAERN COC(=O)c1sc(Cl)cc1S(=O)(=O)N=c1cc[nH]cc1 ZINC000020220594 202036005 /nfs/dbraw/zinc/03/60/05/202036005.db2.gz VPQSQCLJOAMOSL-UHFFFAOYSA-N 0 0 332.790 1.806 10 0 EDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c[nH]c(=O)[nH]c1=O ZINC000021026942 202061532 /nfs/dbraw/zinc/06/15/32/202061532.db2.gz RWJFSQMZZISMAP-ZCFIWIBFSA-N 0 0 344.154 1.776 10 0 EDAERN Cc1cccc(NC(=O)CS(=O)(=O)c2cccc3nsnc32)n1 ZINC000021110988 202062212 /nfs/dbraw/zinc/06/22/12/202062212.db2.gz BZAUTIYQVCRAJM-UHFFFAOYSA-N 0 0 348.409 1.807 10 0 EDAERN Cc1ccccc1N1C[C@@H](C(=O)N2CCC(C(N)=O)CC2)CC1=O ZINC000021347929 202064359 /nfs/dbraw/zinc/06/43/59/202064359.db2.gz XKNQAYKFFWESCM-AWEZNQCLSA-N 0 0 329.400 1.072 10 0 EDAERN NS(=O)(=O)Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1 ZINC000037982059 202076716 /nfs/dbraw/zinc/07/67/16/202076716.db2.gz YUSUFQBXPCPICA-UHFFFAOYSA-N 0 0 325.777 1.776 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 ZINC000077879896 138255770 /nfs/dbraw/zinc/25/57/70/138255770.db2.gz YIVRMNHNTPWFAB-SJORKVTESA-N 0 0 333.432 1.810 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)CCC1CCCC1 ZINC000088199838 138272046 /nfs/dbraw/zinc/27/20/46/138272046.db2.gz HNRNQMUNNKZDQS-CQSZACIVSA-N 0 0 347.463 1.878 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN(C)CC(F)(F)F ZINC000083703044 138269397 /nfs/dbraw/zinc/26/93/97/138269397.db2.gz WCQLWDHZSZVEGY-NSHDSACASA-N 0 0 348.373 1.605 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000081581255 138267093 /nfs/dbraw/zinc/26/70/93/138267093.db2.gz SHEKJGMZMHAGKZ-QWHCGFSZSA-N 0 0 349.435 1.795 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCCNC(=O)OC(C)(C)C ZINC000081812867 138267502 /nfs/dbraw/zinc/26/75/02/138267502.db2.gz YLGPVBVJGCQVSW-LBPRGKRZSA-N 0 0 337.424 1.843 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)COCC(C)C ZINC000088755911 138272690 /nfs/dbraw/zinc/27/26/90/138272690.db2.gz QNBPKYYYIHFIHW-CHWSQXEVSA-N 0 0 339.440 1.008 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000088755982 138272763 /nfs/dbraw/zinc/27/27/63/138272763.db2.gz QCGNZPIETRUASA-STQMWFEESA-N 0 0 349.435 1.470 10 0 EDAERN CCCCOc1cccc(CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104783969 138300613 /nfs/dbraw/zinc/30/06/13/138300613.db2.gz DIIJKTITPITCNP-QGZVFWFLSA-N 0 0 335.448 1.995 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CCC[C@H](n3cncn3)C2)CCCC1 ZINC000105854879 138302048 /nfs/dbraw/zinc/30/20/48/138302048.db2.gz KYQDJRFYRTTYLG-ZDUSSCGKSA-N 0 0 334.424 1.074 10 0 EDAERN Cc1ccn(-c2ccccc2NC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000120276848 138315324 /nfs/dbraw/zinc/31/53/24/138315324.db2.gz NFLKDNVCKKWIDN-CYBMUJFWSA-N 0 0 337.387 1.909 10 0 EDAERN COc1cccc([C@H](O)C(=O)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000120755615 138316307 /nfs/dbraw/zinc/31/63/07/138316307.db2.gz GMHHIKWFRRUSSJ-RDJZCZTQSA-N 0 0 329.400 1.925 10 0 EDAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC(Cn2cccn2)CC1 ZINC000106184268 138302780 /nfs/dbraw/zinc/30/27/80/138302780.db2.gz MWKAPVHPFNALBA-GFCCVEGCSA-N 0 0 330.440 1.190 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000110753767 138307367 /nfs/dbraw/zinc/30/73/67/138307367.db2.gz YDVTWYKUJIBPGC-ZDUSSCGKSA-N 0 0 335.452 1.556 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCCCOCC3CC3)CC2)cn1 ZINC000115788945 138311335 /nfs/dbraw/zinc/31/13/35/138311335.db2.gz FVJDXCJGCYTHBT-UHFFFAOYSA-N 0 0 349.479 1.454 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)Cc3ccccc3)C2)cn1 ZINC000116230766 138311728 /nfs/dbraw/zinc/31/17/28/138311728.db2.gz BWGICGXNAKUPCT-OAHLLOKOSA-N 0 0 326.400 1.095 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CNC(=O)CCC(C)C)C2)n1 ZINC000116775399 138311987 /nfs/dbraw/zinc/31/19/87/138311987.db2.gz KYZBDUOSYVXLMU-INIZCTEOSA-N 0 0 349.479 1.686 10 0 EDAERN Cc1cnc(NC(=O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000123797514 138321396 /nfs/dbraw/zinc/32/13/96/138321396.db2.gz XOJWVUFWIWTQLF-SNVBAGLBSA-N 0 0 348.432 1.236 10 0 EDAERN CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000129970684 138339311 /nfs/dbraw/zinc/33/93/11/138339311.db2.gz LFKNVLLIYSNCIP-WDEREUQCSA-N 0 0 349.460 1.609 10 0 EDAERN C[C@H]1CC[C@H](C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)O1 ZINC000130713971 138345866 /nfs/dbraw/zinc/34/58/66/138345866.db2.gz FUNJWXFFVWPKNQ-WMLDXEAASA-N 0 0 335.423 1.631 10 0 EDAERN Cc1cc(=O)n2nc(C(F)(F)F)nc2n1C[C@@H](O)c1ccccc1 ZINC000028916697 202179199 /nfs/dbraw/zinc/17/91/99/202179199.db2.gz JJKOFBWVBZSJKJ-LLVKDONJSA-N 0 0 338.289 1.952 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)NCCCS(=O)(=O)Cc2ccccc2)O1 ZINC000130914088 138349336 /nfs/dbraw/zinc/34/93/36/138349336.db2.gz GMEVXOVOGUKLIP-HIFRSBDPSA-N 0 0 325.430 1.675 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cn1 ZINC000131600240 138362129 /nfs/dbraw/zinc/36/21/29/138362129.db2.gz PQOYYEFDALPHJV-UHFFFAOYSA-N 0 0 328.376 1.107 10 0 EDAERN O=C(NC1CN(C(=O)NCCCCOCc2ccccc2)C1)C1CC1 ZINC000186692565 235984662 /nfs/dbraw/zinc/98/46/62/235984662.db2.gz GNLNNCZBCIGIHE-UHFFFAOYSA-N 0 0 345.443 1.903 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)/C=C/c3ccc[nH]3)CC2)n1 ZINC000187797375 236303417 /nfs/dbraw/zinc/30/34/17/236303417.db2.gz MILUTODJLRVUCO-AATRIKPKSA-N 0 0 327.388 1.565 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1)C1CC1 ZINC000187819593 236309426 /nfs/dbraw/zinc/30/94/26/236309426.db2.gz LXGIAKLUJFOXSX-WBVHZDCISA-N 0 0 343.427 1.827 10 0 EDAERN Cc1ccc(Cl)c(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188014383 236384846 /nfs/dbraw/zinc/38/48/46/236384846.db2.gz SQVOTVUBVVWQJY-UHFFFAOYSA-N 0 0 349.818 1.714 10 0 EDAERN Cc1coc2ccc(NC(=O)NC[C@@H](O)CN3CCOCC3)cc12 ZINC000188025849 236390088 /nfs/dbraw/zinc/39/00/88/236390088.db2.gz LWLILOMKUJIBKL-CQSZACIVSA-N 0 0 333.388 1.556 10 0 EDAERN Cc1cc(C)nc(N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)n1 ZINC000032500718 202225604 /nfs/dbraw/zinc/22/56/04/202225604.db2.gz WXPFCCFJSJWTJY-UHFFFAOYSA-N 0 0 340.383 1.671 10 0 EDAERN CCOC(=O)[C@H]1CCCN(c2nnc(-n3cccc3C=O)s2)C1 ZINC000032916961 202241463 /nfs/dbraw/zinc/24/14/63/202241463.db2.gz MOWNCSAXFYGXMH-NSHDSACASA-N 0 0 334.401 1.921 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cnn(C)c1)CC2 ZINC000161552113 138643570 /nfs/dbraw/zinc/64/35/70/138643570.db2.gz HVTDNSWCHIFREG-CYBMUJFWSA-N 0 0 331.424 1.291 10 0 EDAERN CN(C)c1ncccc1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171458055 138657105 /nfs/dbraw/zinc/65/71/05/138657105.db2.gz RSFMPVDBPBQVDJ-OAHLLOKOSA-N 0 0 328.420 1.928 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(C(=O)NC)c2)C1 ZINC000173600711 138672094 /nfs/dbraw/zinc/67/20/94/138672094.db2.gz XWLKPNFMVWZCAN-OAHLLOKOSA-N 0 0 341.415 1.677 10 0 EDAERN COc1ccccc1O[C@H](C)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175122924 138691959 /nfs/dbraw/zinc/69/19/59/138691959.db2.gz XWEAQCTXJXDTPI-OLZOCXBDSA-N 0 0 345.403 1.368 10 0 EDAERN CC(C)CCOCCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175725073 138699148 /nfs/dbraw/zinc/69/91/48/138699148.db2.gz CPMCTTROEFGTAE-CVEARBPZSA-N 0 0 327.469 1.411 10 0 EDAERN NC(=O)c1cccc(OCCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000175794254 138700212 /nfs/dbraw/zinc/70/02/12/138700212.db2.gz UMRHISNRRRJUSQ-JKSUJKDBSA-N 0 0 332.400 1.724 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCCN1CCCC1=O ZINC000175495487 138696273 /nfs/dbraw/zinc/69/62/73/138696273.db2.gz RVEMBDGWHHBIQU-OAHLLOKOSA-N 0 0 333.436 1.378 10 0 EDAERN NC(=O)CCN(Cc1ccccc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176370509 138708004 /nfs/dbraw/zinc/70/80/04/138708004.db2.gz XLPLYVKHCJANFK-AWEZNQCLSA-N 0 0 342.403 1.200 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccc(F)cc1 ZINC000176432135 138708901 /nfs/dbraw/zinc/70/89/01/138708901.db2.gz WPODPTMUEZSVSJ-IUODEOHRSA-N 0 0 325.384 1.223 10 0 EDAERN C[C@H](NS(=O)(=O)Cc1ccccc1F)c1nnc2n1CCCC2 ZINC000178373925 138741170 /nfs/dbraw/zinc/74/11/70/138741170.db2.gz TXBVNOAKDKWLMU-NSHDSACASA-N 0 0 338.408 1.934 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000189662700 237117141 /nfs/dbraw/zinc/11/71/41/237117141.db2.gz TVPHWQFBDKMFFP-CQSZACIVSA-N 0 0 341.333 1.930 10 0 EDAERN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1c(N)ncn1C ZINC000070085585 202306345 /nfs/dbraw/zinc/30/63/45/202306345.db2.gz BIQNJWUCECZHHI-SNVBAGLBSA-N 0 0 326.447 1.762 10 0 EDAERN CCOc1ccc([C@@H](CNS(=O)(=O)N(C)C)N2CCCC2)cc1 ZINC000036090482 202314204 /nfs/dbraw/zinc/31/42/04/202314204.db2.gz YJVFGIUPPQWHIV-MRXNPFEDSA-N 0 0 341.477 1.618 10 0 EDAERN O=C(N[C@H](C(=O)N1CCCCC1)c1ccccc1)N1CCOCC1 ZINC000036109707 202316749 /nfs/dbraw/zinc/31/67/49/202316749.db2.gz LGOVGPMAIKYTTF-INIZCTEOSA-N 0 0 331.416 1.782 10 0 EDAERN O=C([C@H]1CCCO1)N1CC(=O)N2CCc3ccc(Cl)cc3[C@@H]2C1 ZINC000036138131 202317590 /nfs/dbraw/zinc/31/75/90/202317590.db2.gz SKLNMGITSQNTTO-LSDHHAIUSA-N 0 0 334.803 1.787 10 0 EDAERN COC(=O)Cc1nc2ccc(N)cn2c1CN1C[C@H](C)O[C@@H](C)C1 ZINC000036277684 202319947 /nfs/dbraw/zinc/31/99/47/202319947.db2.gz AADOHMOEXSNSSK-RYUDHWBXSA-N 0 0 332.404 1.241 10 0 EDAERN Cc1cc(C)c(OCCOCC(F)(F)F)c(S(N)(=O)=O)c1 ZINC000070484745 202334800 /nfs/dbraw/zinc/33/48/00/202334800.db2.gz JUSPIEWZYQLJPM-UHFFFAOYSA-N 0 0 327.324 1.909 10 0 EDAERN COC(=O)[C@](C)(O)COc1ccc(I)cc1 ZINC000070713192 202338010 /nfs/dbraw/zinc/33/80/10/202338010.db2.gz WMGFXKMTJGBGER-LLVKDONJSA-N 0 0 336.125 1.594 10 0 EDAERN C[C@H](NCc1ccc(I)o1)c1nncn1C ZINC000037293662 202338899 /nfs/dbraw/zinc/33/88/99/202338899.db2.gz RSQDTOSYJSIMCX-ZETCQYMHSA-N 0 0 332.145 1.864 10 0 EDAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br ZINC000036721855 202329513 /nfs/dbraw/zinc/32/95/13/202329513.db2.gz IDCSWDFMJHYACO-XPUUQOCRSA-N 0 0 333.207 1.691 10 0 EDAERN CN(C(=O)c1ccc2nc(N)sc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000071698685 202353621 /nfs/dbraw/zinc/35/36/21/202353621.db2.gz RFVFWLQIHTVNMX-SECBINFHSA-N 0 0 325.415 1.138 10 0 EDAERN Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1Br ZINC000071385071 202347897 /nfs/dbraw/zinc/34/78/97/202347897.db2.gz FOVOTQDHXKWQHG-RYUDHWBXSA-N 0 0 349.250 1.613 10 0 EDAERN COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000030693061 212707504 /nfs/dbraw/zinc/70/75/04/212707504.db2.gz KYWKOCGVGCKCBQ-ZDUSSCGKSA-N 0 0 346.408 1.378 10 0 EDAERN [NH3+][C@@H](CCSCC(=O)Nc1ccccc1Br)C(=O)[O-] ZINC000037735526 202357085 /nfs/dbraw/zinc/35/70/85/202357085.db2.gz WHOHYJQHKRQLLO-VIFPVBQESA-N 0 0 347.234 1.923 10 0 EDAERN [NH3+][C@@H](CCSCC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000037735540 202357090 /nfs/dbraw/zinc/35/70/90/202357090.db2.gz IDGWGDGRHQVIOU-JTQLQIEISA-N 0 0 347.234 1.923 10 0 EDAERN COC[C@@H](C)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000183789886 138788544 /nfs/dbraw/zinc/78/85/44/138788544.db2.gz IWXQQLMIZRKUNU-GFCCVEGCSA-N 0 0 326.418 1.125 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000183903823 138789371 /nfs/dbraw/zinc/78/93/71/138789371.db2.gz NEWVMXRRDYJUMW-UHFFFAOYSA-N 0 0 330.413 1.961 10 0 EDAERN Cc1ccc(C)c(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)nn2C)c1 ZINC000041211795 202477559 /nfs/dbraw/zinc/47/75/59/202477559.db2.gz LSPHIQCLDPDAGW-ZDUSSCGKSA-N 0 0 347.440 1.621 10 0 EDAERN CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000184462591 138794975 /nfs/dbraw/zinc/79/49/75/138794975.db2.gz YWPDOKABNYNDPA-GFCCVEGCSA-N 0 0 329.360 1.438 10 0 EDAERN C[C@H]1COCCN1C(=O)c1cccc(NC(=O)N2CCOCC2)c1 ZINC000041281206 202478515 /nfs/dbraw/zinc/47/85/15/202478515.db2.gz RKMDOLQVDYDXPH-ZDUSSCGKSA-N 0 0 333.388 1.412 10 0 EDAERN Cc1nn(C)c(C)c1CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000041539495 202482977 /nfs/dbraw/zinc/48/29/77/202482977.db2.gz PLLCYSWRPMAXJZ-LBPRGKRZSA-N 0 0 340.383 1.338 10 0 EDAERN COCCn1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000190099000 238213894 /nfs/dbraw/zinc/21/38/94/238213894.db2.gz AJNMHDPJKBBCRC-DZGCQCFKSA-N 0 0 333.388 1.851 10 0 EDAERN Cc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000185890950 138810074 /nfs/dbraw/zinc/81/00/74/138810074.db2.gz BUQWKTLNHZWKEW-QGZVFWFLSA-N 0 0 340.427 1.727 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)c1ccccc1OC ZINC000186138059 138813236 /nfs/dbraw/zinc/81/32/36/138813236.db2.gz GJFCVJMTSYMJLT-GFCCVEGCSA-N 0 0 328.372 1.683 10 0 EDAERN C[C@@H](CNC(=O)c1cccc(Br)c1)N1CCOCC1 ZINC000046269875 201105785 /nfs/dbraw/zinc/10/57/85/201105785.db2.gz BUUUVQXHZRUGIL-NSHDSACASA-N 0 0 327.222 1.900 10 0 EDAERN CNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2cccs2)c1 ZINC000048882024 201111946 /nfs/dbraw/zinc/11/19/46/201111946.db2.gz AFPXYBDTYVUANO-SNVBAGLBSA-N 0 0 331.397 1.924 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCSC2)c(N)c1 ZINC000136310705 201132182 /nfs/dbraw/zinc/13/21/82/201132182.db2.gz JTXJZGVHETWTFY-SNVBAGLBSA-N 0 0 330.431 1.229 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000055334149 201134742 /nfs/dbraw/zinc/13/47/42/201134742.db2.gz GPPOTHGPSCBVOA-JTQLQIEISA-N 0 0 330.344 1.205 10 0 EDAERN CNC(=O)c1cccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000136859317 201134773 /nfs/dbraw/zinc/13/47/73/201134773.db2.gz ACJKJNZLSBRHFY-AWEZNQCLSA-N 0 0 341.415 1.506 10 0 EDAERN NS(=O)(=O)c1cccc(Cl)c1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000158355388 201165536 /nfs/dbraw/zinc/16/55/36/201165536.db2.gz FTPNTGCYVFOSAY-AOOOYVTPSA-N 0 0 328.821 1.860 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000077868955 201184298 /nfs/dbraw/zinc/18/42/98/201184298.db2.gz XWABFMISBZQZJL-KOLCDFICSA-N 0 0 328.315 1.910 10 0 EDAERN O=C(NCCc1ccc2c(c1)OCCO2)c1nnc(Cl)s1 ZINC000157129889 201401070 /nfs/dbraw/zinc/40/10/70/201401070.db2.gz QWTCEGUJLNULHQ-UHFFFAOYSA-N 0 0 325.777 1.935 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(c3nc4c(cccc4F)n3C)CC[C@@H]21 ZINC000299741633 202556290 /nfs/dbraw/zinc/55/62/90/202556290.db2.gz HBAZKXYNEQEKBN-OLZOCXBDSA-N 0 0 347.394 1.331 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1)C1CCC1 ZINC000188539714 138844366 /nfs/dbraw/zinc/84/43/66/138844366.db2.gz JXADSGRRDIVBGW-UHFFFAOYSA-N 0 0 341.367 1.376 10 0 EDAERN C[S@@](=O)Cc1cccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188528160 138843971 /nfs/dbraw/zinc/84/39/71/138843971.db2.gz MUHMFFAJNPDIIS-HSZRJFAPSA-N 0 0 334.441 1.306 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000163584072 283987661 /nfs/dbraw/zinc/98/76/61/283987661.db2.gz JZEZAMJUJUWHPO-AWEZNQCLSA-N 0 0 348.374 1.659 10 0 EDAERN Cc1cc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)no1 ZINC000002713779 201541740 /nfs/dbraw/zinc/54/17/40/201541740.db2.gz ZCHXPDDVNWBEEA-UHFFFAOYSA-N 0 0 346.416 1.772 10 0 EDAERN C[C@H]1CN(C(=O)CNC(=O)N2CCc3ccccc3C2)C[C@H](C)O1 ZINC000109928299 220004464 /nfs/dbraw/zinc/00/44/64/220004464.db2.gz DVSUMTJJJHHFRN-KBPBESRZSA-N 0 0 331.416 1.390 10 0 EDAERN CNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccccc1 ZINC000004496390 201602439 /nfs/dbraw/zinc/60/24/39/201602439.db2.gz OZUHDLGDPDOJFM-UHFFFAOYSA-N 0 0 338.410 1.520 10 0 EDAERN NNc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1N ZINC000021035623 212201778 /nfs/dbraw/zinc/20/17/78/212201778.db2.gz KOAFCYIMNFSAAT-UHFFFAOYSA-N 0 0 348.219 1.315 10 0 EDAERN CCOc1ccc(C(=O)N2CCNC(=O)C2)cc1Br ZINC000066056826 202875883 /nfs/dbraw/zinc/87/58/83/202875883.db2.gz QBWYUFLBNGKRGQ-UHFFFAOYSA-N 0 0 327.178 1.420 10 0 EDAERN CCCCN(Cc1nnc(C2CC2)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000066544068 202887446 /nfs/dbraw/zinc/88/74/46/202887446.db2.gz HFAYGKGFOAEELH-ZDUSSCGKSA-N 0 0 326.466 1.482 10 0 EDAERN CC(=O)c1ccc(NC(=O)C2CN(C(=O)c3cc(C)on3)C2)cc1 ZINC000070811001 203082068 /nfs/dbraw/zinc/08/20/68/203082068.db2.gz BTXUZJUBYXNGCR-UHFFFAOYSA-N 0 0 327.340 1.896 10 0 EDAERN C[C@H](C(=O)N1CCCc2ccccc21)n1nc(-n2cccn2)ccc1=O ZINC000070873652 203083147 /nfs/dbraw/zinc/08/31/47/203083147.db2.gz HAMKPEZAAOPOFQ-CQSZACIVSA-N 0 0 349.394 1.969 10 0 EDAERN O=C(c1cccnc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 ZINC000070974899 203084970 /nfs/dbraw/zinc/08/49/70/203084970.db2.gz VPVWNYBMJIWBJU-UHFFFAOYSA-N 0 0 335.371 1.020 10 0 EDAERN CCOc1ccccc1S(=O)(=O)N1CC2(C1)COC(C)(C)OC2 ZINC000070972140 203085412 /nfs/dbraw/zinc/08/54/12/203085412.db2.gz TWYAUQYMMBJDGH-UHFFFAOYSA-N 0 0 341.429 1.859 10 0 EDAERN Cc1nc2ccccn2c1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000071475302 203097844 /nfs/dbraw/zinc/09/78/44/203097844.db2.gz IMDJQJGYQDSJMN-UHFFFAOYSA-N 0 0 344.396 1.220 10 0 EDAERN Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)sc(=O)n1C ZINC000071553896 203099417 /nfs/dbraw/zinc/09/94/17/203099417.db2.gz DZSJMRPLVSGZEZ-UHFFFAOYSA-N 0 0 341.433 1.448 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(C)=CC(=O)NN2CCN(C)CC2)cc1 ZINC000071542465 203099904 /nfs/dbraw/zinc/09/99/04/203099904.db2.gz BBNCGWUUGNYDHM-SEYXRHQNSA-N 0 0 344.415 1.053 10 0 EDAERN COCCCN(C[C@H](C)C(=O)OC)C(=O)Cc1ccc(OC)cc1 ZINC000071620800 203100736 /nfs/dbraw/zinc/10/07/36/203100736.db2.gz WFMZEXKWCZTUGN-AWEZNQCLSA-N 0 0 337.416 1.912 10 0 EDAERN CCc1ccc(OCC(=O)N(CCC(=O)OC)C(C)(C)CO)cc1 ZINC000071634011 203101231 /nfs/dbraw/zinc/10/12/31/203101231.db2.gz NTAAFICDTLDSMR-UHFFFAOYSA-N 0 0 337.416 1.790 10 0 EDAERN COCCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(OC)c(OC)c1 ZINC000071619558 203101512 /nfs/dbraw/zinc/10/15/12/203101512.db2.gz BKLDYCPPPQKLDD-LBPRGKRZSA-N 0 0 339.388 1.602 10 0 EDAERN COC(=O)[C@H](C)CN(CCNC(C)=O)C(=O)c1ccc(Cl)cc1 ZINC000071624924 203101595 /nfs/dbraw/zinc/10/15/95/203101595.db2.gz KVSBHEADAWOQCJ-LLVKDONJSA-N 0 0 340.807 1.727 10 0 EDAERN CC(=O)Nc1ccc(-n2ccc3c(c(C)nc4ncnn43)c2=O)cc1 ZINC000072449371 203227460 /nfs/dbraw/zinc/22/74/60/203227460.db2.gz CMIVIAACGXJNDO-UHFFFAOYSA-N 0 0 334.339 1.695 10 0 EDAERN CC1=C(C(=O)N2CCN(C)CC2)Cn2nc(-c3ccccc3)nc2N1 ZINC000072466315 203229262 /nfs/dbraw/zinc/22/92/62/203229262.db2.gz AUWMBXKUMOTHOO-UHFFFAOYSA-N 0 0 338.415 1.419 10 0 EDAERN C[C@H]1CN(C(=O)c2ccncc2C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000192224520 138940009 /nfs/dbraw/zinc/94/00/09/138940009.db2.gz RSVBVKAZYHOODD-FZMZJTMJSA-N 0 0 343.349 1.893 10 0 EDAERN COCCOCCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000073746593 203273204 /nfs/dbraw/zinc/27/32/04/203273204.db2.gz POPFTVLAOLZRQU-DLBZAZTESA-N 0 0 336.432 1.947 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000076098603 203338728 /nfs/dbraw/zinc/33/87/28/203338728.db2.gz GZZHVLZRQFNFQV-SDBXPKJASA-N 0 0 335.791 1.695 10 0 EDAERN Cc1nc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)sc1C ZINC000192996984 138958631 /nfs/dbraw/zinc/95/86/31/138958631.db2.gz LNNBFPWNDZCYPG-UHFFFAOYSA-N 0 0 347.444 1.838 10 0 EDAERN CCCCOC[C@@H](O)CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000193383114 138967956 /nfs/dbraw/zinc/96/79/56/138967956.db2.gz VZFSAWWFDKQUGA-INIZCTEOSA-N 0 0 330.432 1.938 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@](C)(O)c1cccs1 ZINC000083739979 203518905 /nfs/dbraw/zinc/51/89/05/203518905.db2.gz WCMXEFMETKYPDC-ABAIWWIYSA-N 0 0 335.433 1.690 10 0 EDAERN O=S(=O)(c1cnc(Cl)nc1)N1CCOc2ccccc2C1 ZINC000040691731 203526032 /nfs/dbraw/zinc/52/60/32/203526032.db2.gz KRJGLTMHLXVJGN-UHFFFAOYSA-N 0 0 325.777 1.713 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C(=O)OC)c1 ZINC000087563484 203560425 /nfs/dbraw/zinc/56/04/25/203560425.db2.gz TVVFBIWSBSYFNL-ZDUSSCGKSA-N 0 0 328.372 1.892 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000088280938 203563190 /nfs/dbraw/zinc/56/31/90/203563190.db2.gz XTXLVBFWMRETOB-LBPRGKRZSA-N 0 0 338.371 1.342 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000097597227 203952814 /nfs/dbraw/zinc/95/28/14/203952814.db2.gz MXPVJQCJWBYCNT-HOTGVXAUSA-N 0 0 348.443 1.963 10 0 EDAERN Cn1c2ccccc2nc1[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000194819079 139000709 /nfs/dbraw/zinc/00/07/09/139000709.db2.gz UFXJPVAMZOKTDA-RDTXWAMCSA-N 0 0 348.406 1.915 10 0 EDAERN COC[C@@H](C)NC(=O)COc1ccc(Br)cc1CO ZINC000042252035 204082812 /nfs/dbraw/zinc/08/28/12/204082812.db2.gz WMZWMCCTRUJZPL-SECBINFHSA-N 0 0 332.194 1.471 10 0 EDAERN C[C@@H](Nc1c(N)n(C)c(=O)[nH]c1=O)c1ccc(Br)cc1 ZINC000042297288 204085583 /nfs/dbraw/zinc/08/55/83/204085583.db2.gz JEWSMFDBCLASMF-SSDOTTSWSA-N 0 0 339.193 1.591 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000104779303 204119273 /nfs/dbraw/zinc/11/92/73/204119273.db2.gz WJMLDBQOGHTZAC-MRXNPFEDSA-N 0 0 329.404 1.002 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCCOCCc2ccccc2)C1 ZINC000104784976 204119898 /nfs/dbraw/zinc/11/98/98/204119898.db2.gz UZXUSLPIXXFQBH-GOSISDBHSA-N 0 0 349.475 1.656 10 0 EDAERN COC[C@@H](O)CN(C)C(=O)CCOc1cccc(Br)c1 ZINC000042501110 204099811 /nfs/dbraw/zinc/09/98/11/204099811.db2.gz XJTZTUPBPLQKAJ-LBPRGKRZSA-N 0 0 346.221 1.684 10 0 EDAERN CCCC1N=NC(=S)N1CCc1ccc(S(N)(=O)=O)cc1 ZINC000042477565 204101401 /nfs/dbraw/zinc/10/14/01/204101401.db2.gz MYIQPXQWLRBVTK-UHFFFAOYSA-N 0 0 326.447 1.409 10 0 EDAERN COC[C@H](O)CN(C)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000042501441 204105131 /nfs/dbraw/zinc/10/51/31/204105131.db2.gz DJPNUCMLPQLNIK-CMPLNLGQSA-N 0 0 346.221 1.682 10 0 EDAERN COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000194862879 139001434 /nfs/dbraw/zinc/00/14/34/139001434.db2.gz DHPRWLRFNXVMLR-AWEZNQCLSA-N 0 0 330.384 1.253 10 0 EDAERN O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1COc2ccccc21 ZINC000194867838 139001541 /nfs/dbraw/zinc/00/15/41/139001541.db2.gz QXNDYJKHNNYRQL-OAHLLOKOSA-N 0 0 336.351 1.432 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3cnccn3)CC2)cn1 ZINC000105831349 204167672 /nfs/dbraw/zinc/16/76/72/204167672.db2.gz KMAWXOXDGAZMKN-UHFFFAOYSA-N 0 0 328.420 1.431 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)C1 ZINC000194877188 139001722 /nfs/dbraw/zinc/00/17/22/139001722.db2.gz ODZHFEANUDTXMX-UHFFFAOYSA-N 0 0 348.733 1.442 10 0 EDAERN O=C(N[C@@H]1COc2ccccc21)N1CCC(N2CCCC2=O)CC1 ZINC000105205543 204138609 /nfs/dbraw/zinc/13/86/09/204138609.db2.gz PCYNQWAHFFTBSQ-OAHLLOKOSA-N 0 0 329.400 1.917 10 0 EDAERN Cc1ccc(CNC(=O)CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105888483 204176457 /nfs/dbraw/zinc/17/64/57/204176457.db2.gz PEDLBNIHKVGOOQ-QGZVFWFLSA-N 0 0 328.416 1.209 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 ZINC000106396718 204192798 /nfs/dbraw/zinc/19/27/98/204192798.db2.gz LFTIUNGIPLDOCT-AWEZNQCLSA-N 0 0 330.388 1.265 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(N)ccc1Br ZINC000045623288 204328669 /nfs/dbraw/zinc/32/86/69/204328669.db2.gz DFKPLMIAYZJINQ-LLVKDONJSA-N 0 0 327.178 1.809 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000195031573 139005164 /nfs/dbraw/zinc/00/51/64/139005164.db2.gz RDAGIYWRBDEGTQ-GFCCVEGCSA-N 0 0 337.395 1.762 10 0 EDAERN O=C(CCC(=O)N1CCO[C@H](Cn2cccn2)C1)c1cccs1 ZINC000111084247 204334761 /nfs/dbraw/zinc/33/47/61/204334761.db2.gz OPTDXWQPCOWDNX-ZDUSSCGKSA-N 0 0 333.413 1.835 10 0 EDAERN CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1cccc(C(N)=S)c1 ZINC000048916369 204360629 /nfs/dbraw/zinc/36/06/29/204360629.db2.gz BVNQLPQUYLKWLP-ZYHUDNBSSA-N 0 0 328.459 1.509 10 0 EDAERN CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000049095034 204367279 /nfs/dbraw/zinc/36/72/79/204367279.db2.gz PVAUKBDLIQLHBK-NXEZZACHSA-N 0 0 337.438 1.942 10 0 EDAERN CCN1CCC[C@H](NS(=O)(=O)c2ccccc2C(N)=S)C1 ZINC000049224310 204372020 /nfs/dbraw/zinc/37/20/20/204372020.db2.gz BHQILJNIKWHDMT-NSHDSACASA-N 0 0 327.475 1.083 10 0 EDAERN CCc1nccn1[C@H]1CCCN(CC(=O)NCc2cccnc2)C1 ZINC000111229477 204343126 /nfs/dbraw/zinc/34/31/26/204343126.db2.gz MAASGXSKEFSPDZ-INIZCTEOSA-N 0 0 327.432 1.794 10 0 EDAERN Cc1ccccc1C1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000112748023 204416669 /nfs/dbraw/zinc/41/66/69/204416669.db2.gz CINUTJHWUZLXPS-CQSZACIVSA-N 0 0 325.416 1.932 10 0 EDAERN COc1ccccc1CC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112063422 204381020 /nfs/dbraw/zinc/38/10/20/204381020.db2.gz SZQOHFMFYPZTMK-MRXNPFEDSA-N 0 0 329.400 1.670 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000112229635 204386564 /nfs/dbraw/zinc/38/65/64/204386564.db2.gz ZXJVBMQWXIAISB-LBPRGKRZSA-N 0 0 325.372 1.331 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000195274676 139012141 /nfs/dbraw/zinc/01/21/41/139012141.db2.gz FYTLMDFXZRLAHZ-OAHLLOKOSA-N 0 0 325.368 1.941 10 0 EDAERN O=C(Nc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1)c1cccnc1 ZINC000195291045 139012804 /nfs/dbraw/zinc/01/28/04/139012804.db2.gz NMWQVOXPPWFZHL-AWEZNQCLSA-N 0 0 338.367 1.086 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@@H]1c3ccccc3NC1=O)CC2 ZINC000114866805 204490587 /nfs/dbraw/zinc/49/05/87/204490587.db2.gz QWYIMFSZHLXFBF-DGCLKSJQSA-N 0 0 339.399 1.398 10 0 EDAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cc1)C(C)C ZINC000117064527 204555710 /nfs/dbraw/zinc/55/57/10/204555710.db2.gz IEJLYJDQQDYIFG-LRDDRELGSA-N 0 0 331.416 1.907 10 0 EDAERN CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1nccn1CC ZINC000195519866 139019635 /nfs/dbraw/zinc/01/96/35/139019635.db2.gz JKMMTUYYZKGCBQ-KGLIPLIRSA-N 0 0 341.477 1.997 10 0 EDAERN O=S(=O)(CCCC(F)(F)F)N[C@H](CO)Cc1ccccc1 ZINC000211880355 139020442 /nfs/dbraw/zinc/02/04/42/139020442.db2.gz NCNBFEKGHJKBBZ-LBPRGKRZSA-N 0 0 325.352 1.852 10 0 EDAERN Nc1ccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)cc1Cl ZINC000050351612 204594305 /nfs/dbraw/zinc/59/43/05/204594305.db2.gz LQNOUJSGZIFTFQ-UHFFFAOYSA-N 0 0 338.838 1.241 10 0 EDAERN CO[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1N ZINC000050368359 204594407 /nfs/dbraw/zinc/59/44/07/204594407.db2.gz NAPPYFRECYBTOG-QWRGUYRKSA-N 0 0 349.250 1.877 10 0 EDAERN Nc1cc(Br)ccc1C(=O)NC[C@H](O)C(F)(F)F ZINC000225284485 139021487 /nfs/dbraw/zinc/02/14/87/139021487.db2.gz DWMBBKBTBKSWBR-QMMMGPOBSA-N 0 0 327.100 1.684 10 0 EDAERN COc1ccc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000118669434 204604505 /nfs/dbraw/zinc/60/45/05/204604505.db2.gz YZTBGBXRXMITCR-OAHLLOKOSA-N 0 0 326.400 1.813 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000119639336 204672367 /nfs/dbraw/zinc/67/23/67/204672367.db2.gz RKSBPHVEFWCVHW-UHFFFAOYSA-N 0 0 342.399 1.769 10 0 EDAERN Cc1c(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cnn1C ZINC000120051179 204704135 /nfs/dbraw/zinc/70/41/35/204704135.db2.gz LKPZEMBPNRJERH-RDJZCZTQSA-N 0 0 344.390 1.703 10 0 EDAERN O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N1CCC[C@@H]1CO ZINC000121208804 204786733 /nfs/dbraw/zinc/78/67/33/204786733.db2.gz YHUWXZULKISTKT-SECBINFHSA-N 0 0 332.278 1.349 10 0 EDAERN CCN(C)C(=O)[C@H](C)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249045494 284323841 /nfs/dbraw/zinc/32/38/41/284323841.db2.gz HINSKUIZSWIQCN-MKBNYLNASA-N 0 0 344.477 1.168 10 0 EDAERN C[C@@H](C(=O)N1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000125337496 205005788 /nfs/dbraw/zinc/00/57/88/205005788.db2.gz ZZURNPITBBHZMF-CQSZACIVSA-N 0 0 336.399 1.577 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000125786620 205026553 /nfs/dbraw/zinc/02/65/53/205026553.db2.gz MGGNTHMVQMXEFK-CQSZACIVSA-N 0 0 331.351 1.754 10 0 EDAERN COC(=O)c1cccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000127117942 205085165 /nfs/dbraw/zinc/08/51/65/205085165.db2.gz UOEBPSLPNHFUTJ-CYBMUJFWSA-N 0 0 328.372 1.617 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 ZINC000111081226 220097492 /nfs/dbraw/zinc/09/74/92/220097492.db2.gz CLADMQGIIXFXTP-CYBMUJFWSA-N 0 0 348.428 1.122 10 0 EDAERN CS(=O)(=O)CCn1cc(N)c(-c2ccccc2Br)n1 ZINC000135858773 205481407 /nfs/dbraw/zinc/48/14/07/205481407.db2.gz LPYMVCJSXIVMEL-UHFFFAOYSA-N 0 0 344.234 1.939 10 0 EDAERN CN1CCC[C@H]1CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000139458271 205549901 /nfs/dbraw/zinc/54/99/01/205549901.db2.gz OYLKRPPQJNHTOT-GXTWGEPZSA-N 0 0 337.445 1.299 10 0 EDAERN O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1 ZINC000096066228 284397401 /nfs/dbraw/zinc/39/74/01/284397401.db2.gz CAPQPEFNTCJXEX-CWRNSKLLSA-N 0 0 339.399 1.490 10 0 EDAERN CCN(CC)C(=O)C[S@@](=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000151424753 205640647 /nfs/dbraw/zinc/64/06/47/205640647.db2.gz FIYPLEDMLUIGHJ-UDFDBXRZSA-N 0 0 338.473 1.869 10 0 EDAERN C[C@H]1CN(C2CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)CCO1 ZINC000245198211 139070910 /nfs/dbraw/zinc/07/09/10/139070910.db2.gz FYBCCBDHZNGGTK-GOEBONIOSA-N 0 0 346.493 1.070 10 0 EDAERN CCCCOCCNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152567337 205760776 /nfs/dbraw/zinc/76/07/76/205760776.db2.gz ZNYGPXDHHHPHEH-HNNXBMFYSA-N 0 0 335.452 1.904 10 0 EDAERN O=C(Cn1cc(CCO)nn1)Nc1cccc(Br)c1 ZINC000052223157 205833087 /nfs/dbraw/zinc/83/30/87/205833087.db2.gz WFACSRSFAJHDPX-UHFFFAOYSA-N 0 0 325.166 1.214 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000245676717 139082820 /nfs/dbraw/zinc/08/28/20/139082820.db2.gz JDRGCOYGEBYFBO-SMDDNHRTSA-N 0 0 345.802 1.142 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCO[C@H]2C)cc(S(N)(=O)=O)c1Cl ZINC000138543947 223705775 /nfs/dbraw/zinc/70/57/75/223705775.db2.gz ATDGVWLURFZLGH-WPRPVWTQSA-N 0 0 332.809 1.203 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000155750495 206032275 /nfs/dbraw/zinc/03/22/75/206032275.db2.gz HCCBDTDAJCRSJZ-GFCCVEGCSA-N 0 0 344.289 1.597 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCN1CCc2ccccc21 ZINC000155862897 206041164 /nfs/dbraw/zinc/04/11/64/206041164.db2.gz LQAKMGNIRBPZJI-MRXNPFEDSA-N 0 0 330.432 1.359 10 0 EDAERN Cn1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c(-c2cccs2)n1 ZINC000156782079 206100303 /nfs/dbraw/zinc/10/03/03/206100303.db2.gz IHKCSIOTNILBRC-SNVBAGLBSA-N 0 0 328.401 1.485 10 0 EDAERN Cn1ncnc1COc1ccc(Br)cc1C(N)=S ZINC000157484565 206139256 /nfs/dbraw/zinc/13/92/56/206139256.db2.gz OVGQTPRZJVQPAD-UHFFFAOYSA-N 0 0 327.207 1.791 10 0 EDAERN COc1cccc(Br)c1OC[C@H](C)CS(N)(=O)=O ZINC000157303698 206128835 /nfs/dbraw/zinc/12/88/35/206128835.db2.gz YPAWUYUSOIERNJ-QMMMGPOBSA-N 0 0 338.223 1.761 10 0 EDAERN O=S1(=O)C[C@H](Oc2cc(F)cc(Br)c2)[C@H](O)C1 ZINC000157349892 206131405 /nfs/dbraw/zinc/13/14/05/206131405.db2.gz VPSQTJYRZHTZLR-ZJUUUORDSA-N 0 0 325.155 1.125 10 0 EDAERN COCCN1C[C@@H](C(=O)N[C@H]2CCCc3cc(F)ccc32)CC1=O ZINC000157769779 206153869 /nfs/dbraw/zinc/15/38/69/206153869.db2.gz ZYDCWAPLRFMGQC-BBRMVZONSA-N 0 0 334.391 1.814 10 0 EDAERN CN1CCN(CC(=O)Nc2ccc(N)cc2Br)C1=O ZINC000052885415 206162992 /nfs/dbraw/zinc/16/29/92/206162992.db2.gz XMBXAVPVYGTGGW-UHFFFAOYSA-N 0 0 327.182 1.337 10 0 EDAERN CCCn1ncc(Br)c1[C@@H](O)[C@@H](C)S(C)(=O)=O ZINC000158885998 206215224 /nfs/dbraw/zinc/21/52/24/206215224.db2.gz NOLKHHUTXJJRSE-XCBNKYQSSA-N 0 0 325.228 1.522 10 0 EDAERN CC(C)n1ncc(Br)c1[C@H](O)[C@H](C)S(C)(=O)=O ZINC000159010353 206220727 /nfs/dbraw/zinc/22/07/27/206220727.db2.gz XMZODLFEGGCDLS-OIBJUYFYSA-N 0 0 325.228 1.693 10 0 EDAERN CO[C@@H]1CC[C@H]2OCCN(Cc3nnnn3-c3ccccc3)[C@H]2C1 ZINC000246224037 139100029 /nfs/dbraw/zinc/10/00/29/139100029.db2.gz FNCIWCLGQMNZEW-OWCLPIDISA-N 0 0 329.404 1.431 10 0 EDAERN COc1ccc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246394360 139106860 /nfs/dbraw/zinc/10/68/60/139106860.db2.gz IZZQCMWVVGQSDD-RHSMWYFYSA-N 0 0 333.432 1.286 10 0 EDAERN C[C@H](NC(=O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1)c1cccs1 ZINC000246438267 139108363 /nfs/dbraw/zinc/10/83/63/139108363.db2.gz LUYPZBHJTHOEFT-QLFBSQMISA-N 0 0 337.489 1.578 10 0 EDAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@H]2CCCn3nc(C)nc32)CC1=O ZINC000246438588 139108673 /nfs/dbraw/zinc/10/86/73/139108673.db2.gz HNIHDKLNRQEZMH-YUTCNCBUSA-N 0 0 333.436 1.575 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccccc2F)C[C@H]1N1CCOCC1 ZINC000246456715 139109312 /nfs/dbraw/zinc/10/93/12/139109312.db2.gz JEWOWSWXBLPCRQ-GXTWGEPZSA-N 0 0 328.409 1.167 10 0 EDAERN Cc1cccc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C ZINC000246403194 139107080 /nfs/dbraw/zinc/10/70/80/139107080.db2.gz JNPLBJIWRCZFFA-YJBOKZPZSA-N 0 0 331.460 1.894 10 0 EDAERN CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000246557701 139112850 /nfs/dbraw/zinc/11/28/50/139112850.db2.gz KKNSVKKYHKICPD-ARFHVFGLSA-N 0 0 334.416 1.953 10 0 EDAERN C[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1N1CCOCC1 ZINC000246634083 139115954 /nfs/dbraw/zinc/11/59/54/139115954.db2.gz ZOCMPBLQLCWXKZ-BLLLJJGKSA-N 0 0 339.386 1.556 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3ccccc3C)CCO2)[nH]1 ZINC000246883489 139125263 /nfs/dbraw/zinc/12/52/63/139125263.db2.gz GSZBVGYZHJAXFQ-GOEBONIOSA-N 0 0 332.404 1.235 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247062314 139133784 /nfs/dbraw/zinc/13/37/84/139133784.db2.gz GANVNZAVWFEZKE-IAOVAPTHSA-N 0 0 336.480 1.894 10 0 EDAERN CC(C)n1ncc(Br)c1[C@H](NN)[C@@H](C)S(C)(=O)=O ZINC000161484335 206350884 /nfs/dbraw/zinc/35/08/84/206350884.db2.gz ARJKGYCSUYSVMH-VXNVDRBHSA-N 0 0 339.259 1.164 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)C(N)=S ZINC000161846832 206372863 /nfs/dbraw/zinc/37/28/63/206372863.db2.gz DEXLGUIPXNMGPG-RXMQYKEDSA-N 0 0 341.227 1.541 10 0 EDAERN CN1CCO[C@@H](CNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000162290705 206394797 /nfs/dbraw/zinc/39/47/97/206394797.db2.gz KCTRVTVGWYRKOU-QWHCGFSZSA-N 0 0 333.215 1.474 10 0 EDAERN COCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCCO2)C[C@H]1C ZINC000247116194 139136277 /nfs/dbraw/zinc/13/62/77/139136277.db2.gz NPDGUJTWZVGEGZ-PMPSAXMXSA-N 0 0 328.453 1.140 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000247377764 139146565 /nfs/dbraw/zinc/14/65/65/139146565.db2.gz VMEBNYMIRYGYJV-WCXIOVBPSA-N 0 0 325.497 1.817 10 0 EDAERN CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 ZINC000170562521 206578323 /nfs/dbraw/zinc/57/83/23/206578323.db2.gz WNORDYGLXJBRKO-LSDHHAIUSA-N 0 0 345.443 1.527 10 0 EDAERN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(CCC[NH+](C)C)C1 ZINC000170574268 206579452 /nfs/dbraw/zinc/57/94/52/206579452.db2.gz QVBRUIVBAMNYRF-CQSZACIVSA-N 0 0 347.415 1.432 10 0 EDAERN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000247522106 139151243 /nfs/dbraw/zinc/15/12/43/139151243.db2.gz WWAODDUOUVGCDX-RYUDHWBXSA-N 0 0 326.418 1.133 10 0 EDAERN Cc1cnn([C@H]2CCCN([C@H](C)c3nc(N)nc(N(C)C)n3)C2)c1 ZINC000247773117 139154961 /nfs/dbraw/zinc/15/49/61/139154961.db2.gz PTKSFCOPMJGAFP-OLZOCXBDSA-N 0 0 330.440 1.423 10 0 EDAERN CNC(=O)[C@H]1CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000248416652 139162813 /nfs/dbraw/zinc/16/28/13/139162813.db2.gz IYYGARPWJYWKEJ-UKRRQHHQSA-N 0 0 337.807 1.280 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000248801001 139175855 /nfs/dbraw/zinc/17/58/55/139175855.db2.gz AGUPTJOHPMQIFA-VNQPRFMTSA-N 0 0 343.383 1.980 10 0 EDAERN C[C@@H](C(=O)N[C@H]1CCCn2ncnc21)[C@H](C)NC(=O)OC(C)(C)C ZINC000248968535 139181803 /nfs/dbraw/zinc/18/18/03/139181803.db2.gz CVOFTCKIMMNGNN-WOPDTQHZSA-N 0 0 337.424 1.779 10 0 EDAERN O=S1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000171927786 206768213 /nfs/dbraw/zinc/76/82/13/206768213.db2.gz VCCGTUREYKOORK-LBPRGKRZSA-N 0 0 348.262 1.253 10 0 EDAERN CN(C(=O)Nc1cccn(C)c1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000173526639 206935109 /nfs/dbraw/zinc/93/51/09/206935109.db2.gz JYZFUVGUBQFKEV-ZDUSSCGKSA-N 0 0 342.403 1.308 10 0 EDAERN Cc1nc(SCC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000175007542 207083394 /nfs/dbraw/zinc/08/33/94/207083394.db2.gz YSPQEPWLCMHZLK-GFCCVEGCSA-N 0 0 347.448 1.123 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC=CCC3)C2=O)n(C)n1 ZINC000175091466 207093399 /nfs/dbraw/zinc/09/33/99/207093399.db2.gz XHJCMPWFZJAORP-KGLIPLIRSA-N 0 0 331.420 1.632 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000175148340 207099013 /nfs/dbraw/zinc/09/90/13/207099013.db2.gz ZHMUWQVVFNIEPU-OAHLLOKOSA-N 0 0 327.388 1.987 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccnc2)ncn1 ZINC000175200089 207102597 /nfs/dbraw/zinc/10/25/97/207102597.db2.gz NJCCSTPWSGIEBU-CYBMUJFWSA-N 0 0 327.392 1.704 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)ccc1Br ZINC000175997314 207180547 /nfs/dbraw/zinc/18/05/47/207180547.db2.gz NRZNBPCQJWCUJK-OIBJUYFYSA-N 0 0 327.178 1.921 10 0 EDAERN CSc1ccc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000176015994 207182545 /nfs/dbraw/zinc/18/25/45/207182545.db2.gz XBEDLAIBNIUUPY-ZDUSSCGKSA-N 0 0 345.428 1.898 10 0 EDAERN CCSc1cccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176104532 207191335 /nfs/dbraw/zinc/19/13/35/207191335.db2.gz VONMKVWMSAMOFJ-CYBMUJFWSA-N 0 0 345.428 1.980 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000188155739 272954756 /nfs/dbraw/zinc/95/47/56/272954756.db2.gz SOYNNFOVADJILR-UHFFFAOYSA-N 0 0 325.796 1.039 10 0 EDAERN Cc1ccccc1C[C@H](CO)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000188252836 272955631 /nfs/dbraw/zinc/95/56/31/272955631.db2.gz FRNQXIUNMARLPC-HUUCEWRRSA-N 0 0 329.404 1.324 10 0 EDAERN O=C(NCCc1nc2ccccc2[nH]1)N[C@@H]1CCCn2ncnc21 ZINC000177336473 207321945 /nfs/dbraw/zinc/32/19/45/207321945.db2.gz VGFNOXXWVGLUDN-CYBMUJFWSA-N 0 0 325.376 1.531 10 0 EDAERN O=C(NCc1ccc2c(c1)OCCCO2)N[C@H]1CCCn2ncnc21 ZINC000177361791 207326333 /nfs/dbraw/zinc/32/63/33/207326333.db2.gz SNAANHYGUXWGLU-ZDUSSCGKSA-N 0 0 343.387 1.774 10 0 EDAERN Cc1csc(NC(=O)C(=O)N2CCO[C@H](c3nccs3)C2)n1 ZINC000177521667 207348260 /nfs/dbraw/zinc/34/82/60/207348260.db2.gz SZPAXSWAWWZDHC-VIFPVBQESA-N 0 0 338.414 1.447 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177607424 207362844 /nfs/dbraw/zinc/36/28/44/207362844.db2.gz RUDFNQLPFSVASW-HUUCEWRRSA-N 0 0 347.459 1.491 10 0 EDAERN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000177633494 207367074 /nfs/dbraw/zinc/36/70/74/207367074.db2.gz KZPRNJMOHPTDCX-AWEZNQCLSA-N 0 0 341.415 1.645 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cccnc3Cl)C2)cn1 ZINC000179719893 207676736 /nfs/dbraw/zinc/67/67/36/207676736.db2.gz YYHSHADOLNYDDX-SNVBAGLBSA-N 0 0 333.779 1.423 10 0 EDAERN COC(=O)[C@@H]1COCCN1c1ncc(Cl)cc1Br ZINC000160022527 533022477 /nfs/dbraw/zinc/02/24/77/533022477.db2.gz VUGOVZOBFGIJQV-VIFPVBQESA-N 0 0 335.585 1.876 10 0 EDAERN COCCCNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000113968501 220618279 /nfs/dbraw/zinc/61/82/79/220618279.db2.gz QTSDDBZPUFCMDK-NSHDSACASA-N 0 0 332.397 1.133 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)CC2 ZINC000114865356 220769592 /nfs/dbraw/zinc/76/95/92/220769592.db2.gz ZBFONDZFGIDJBA-YOEHRIQHSA-N 0 0 327.432 1.574 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccccc1F)CC2 ZINC000114914548 220777836 /nfs/dbraw/zinc/77/78/36/220777836.db2.gz OTZKOIJDAXHZOR-ZDUSSCGKSA-N 0 0 331.395 1.836 10 0 EDAERN O=C(/C=C\c1ccc[nH]1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000492012361 255159300 /nfs/dbraw/zinc/15/93/00/255159300.db2.gz YDPQVEKRXAPSPN-GIFJBRJJSA-N 0 0 325.412 1.906 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C\c1ncccc1C ZINC000492556253 255179369 /nfs/dbraw/zinc/17/93/69/255179369.db2.gz YSZKJCLUMCDLDX-DANTVBBOSA-N 0 0 327.388 1.792 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2F)C[C@H]1CC ZINC000116899283 221008342 /nfs/dbraw/zinc/00/83/42/221008342.db2.gz VYNLZDXFKFEHEZ-CQSZACIVSA-N 0 0 344.452 1.947 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C)CCN1CCOC ZINC000117372436 221059355 /nfs/dbraw/zinc/05/93/55/221059355.db2.gz ZJARZRBCTOQTDR-HNNXBMFYSA-N 0 0 344.452 1.865 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cccc(C(=O)NC)c2)C[C@H]1C ZINC000117438912 221064155 /nfs/dbraw/zinc/06/41/55/221064155.db2.gz JORZZKRDSCIBMK-CQSZACIVSA-N 0 0 348.447 1.621 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(-c3cccnc3)on2)C[C@@H]1C ZINC000117283373 221043311 /nfs/dbraw/zinc/04/33/11/221043311.db2.gz ZLVIRQGEZYJBNF-AWEZNQCLSA-N 0 0 344.415 1.919 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000117282857 221044541 /nfs/dbraw/zinc/04/45/41/221044541.db2.gz VRUKPMUNQNYZGN-AWEZNQCLSA-N 0 0 334.416 1.656 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)CC2CCCCC2)C[C@@H]1C ZINC000117368868 221057392 /nfs/dbraw/zinc/05/73/92/221057392.db2.gz XSFADKPSEMSYCQ-HNNXBMFYSA-N 0 0 332.510 1.939 10 0 EDAERN C[C@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCCCC1 ZINC000119563416 221348893 /nfs/dbraw/zinc/34/88/93/221348893.db2.gz FRZYFSUWILMYOV-ZDUSSCGKSA-N 0 0 343.427 1.710 10 0 EDAERN COc1cccc(OC)c1CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000120088985 221478903 /nfs/dbraw/zinc/47/89/03/221478903.db2.gz TWRQFMBHLCSKKK-CQSZACIVSA-N 0 0 345.399 1.370 10 0 EDAERN CC(C)CC[NH+](CCC(C)C)[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC000067895980 257844824 /nfs/dbraw/zinc/84/48/24/257844824.db2.gz OYWFYCDISGGDFC-AWEZNQCLSA-N 0 0 339.436 1.384 10 0 EDAERN COc1c(C(=O)NC2(C)CCC2)cc(Cl)cc1S(N)(=O)=O ZINC000168506901 533388633 /nfs/dbraw/zinc/38/86/33/533388633.db2.gz NRXUOBLDSPERLJ-UHFFFAOYSA-N 0 0 332.809 1.668 10 0 EDAERN O=C(CN1C(=O)CCC1=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000038698572 132397148 /nfs/dbraw/zinc/39/71/48/132397148.db2.gz UCCWCACQFZKWBB-UHFFFAOYSA-N 0 0 329.356 1.291 10 0 EDAERN CN1c2ccccc2O[C@H](CC(=O)N2CCC3(CC2)OCCO3)C1=O ZINC000049649843 132431866 /nfs/dbraw/zinc/43/18/66/132431866.db2.gz JIXLAYXSRFAOBS-OAHLLOKOSA-N 0 0 346.383 1.166 10 0 EDAERN Cc1cc2c(cc1C)[C@H](C(=O)N1CC[C@@H](N3CCOCC3)C1)CO2 ZINC000184936310 292008872 /nfs/dbraw/zinc/00/88/72/292008872.db2.gz WDZWSPUZAFPTKB-NVXWUHKLSA-N 0 0 330.428 1.713 10 0 EDAERN COc1cccc(N2CCN(C(=O)NCCn3cc(C)cn3)CC2)c1 ZINC000118078760 135519695 /nfs/dbraw/zinc/51/96/95/135519695.db2.gz BBGOHBYPBZFAFS-UHFFFAOYSA-N 0 0 343.431 1.732 10 0 EDAERN COC(=O)c1ccc(NC(=O)c2cnc(N3CCOCC3)nc2)cc1 ZINC000015777939 135708436 /nfs/dbraw/zinc/70/84/36/135708436.db2.gz AGKFLOCPHVHPBY-UHFFFAOYSA-N 0 0 342.355 1.352 10 0 EDAERN C[C@H]1CN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CCN1S(C)(=O)=O ZINC000328879745 140680588 /nfs/dbraw/zinc/68/05/88/140680588.db2.gz LOBMGHMWYQTBLR-BPUTZDHNSA-N 0 0 336.457 1.673 10 0 EDAERN Cc1ccccc1Cc1nc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)no1 ZINC000329206057 140700876 /nfs/dbraw/zinc/70/08/76/140700876.db2.gz YATJHNOTVJXCMP-LSDHHAIUSA-N 0 0 347.440 1.588 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000333052014 141255746 /nfs/dbraw/zinc/25/57/46/141255746.db2.gz LKVBXFJXCTVYBC-OAHLLOKOSA-N 0 0 327.432 1.660 10 0 EDAERN CC1CCN(S(=O)(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000333054060 141256218 /nfs/dbraw/zinc/25/62/18/141256218.db2.gz ACWFEEOQIKORPE-UHFFFAOYSA-N 0 0 340.493 1.651 10 0 EDAERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@@H](C)[C@H]2CCCCO2)cnn1C ZINC000333399142 141311599 /nfs/dbraw/zinc/31/15/99/141311599.db2.gz FCPYSIJGDXAQNJ-DANNLKNASA-N 0 0 336.436 1.815 10 0 EDAERN CCn1cncc1S(=O)(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000333446691 141318285 /nfs/dbraw/zinc/31/82/85/141318285.db2.gz MXHVQGAFTOLBNZ-CYBMUJFWSA-N 0 0 334.445 1.932 10 0 EDAERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@H]1CCc2cccnc21 ZINC000333510512 141329066 /nfs/dbraw/zinc/32/90/66/141329066.db2.gz UFXLEHWCDUQBDQ-KKUMJFAQSA-N 0 0 341.390 1.635 10 0 EDAERN Cc1ccc(C)c(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188021819 533676044 /nfs/dbraw/zinc/67/60/44/533676044.db2.gz DBKSXNPZSVYXPB-UHFFFAOYSA-N 0 0 329.400 1.369 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000091049827 287332090 /nfs/dbraw/zinc/33/20/90/287332090.db2.gz KOEHIOFNLMAANO-GFCCVEGCSA-N 0 0 342.465 1.168 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCNC(=O)c1cccs1)CC2 ZINC000114866114 287344005 /nfs/dbraw/zinc/34/40/05/287344005.db2.gz VWHYJQQCGPLIKU-NSHDSACASA-N 0 0 347.444 1.153 10 0 EDAERN COCCC[C@H]([NH3+])C(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000159469277 225224146 /nfs/dbraw/zinc/22/41/46/225224146.db2.gz LXSLWHDRBKUZTC-JTQLQIEISA-N 0 0 345.193 1.840 10 0 EDAERN Cc1cc(Br)cc(CO)c1O[C@@H]1CCS(=O)(=O)C1 ZINC000160837575 225487636 /nfs/dbraw/zinc/48/76/36/225487636.db2.gz MHSXOYIQLIHQSF-LLVKDONJSA-N 0 0 335.219 1.816 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000123384127 287387606 /nfs/dbraw/zinc/38/76/06/287387606.db2.gz NXYCNBXGUJCCQN-VBNZEHGJSA-N 0 0 343.431 1.713 10 0 EDAERN [NH3+]C[C@H]1CCC[C@@H]1COc1nc[n-]c(=O)c1I ZINC000165303874 226119278 /nfs/dbraw/zinc/11/92/78/226119278.db2.gz GKCLSPDFROQMKQ-HTQZYQBOSA-N 0 0 349.172 1.128 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(C(N)=S)cc2Cl)CC[C@@H]1O ZINC000166289790 226152708 /nfs/dbraw/zinc/15/27/08/226152708.db2.gz GTIYFTKGWODUAI-KCJUWKMLSA-N 0 0 348.877 1.366 10 0 EDAERN Cc1cc(N2CCOC[C@H]2C(=O)NC2CC2)ncc1Br ZINC000166328777 226154827 /nfs/dbraw/zinc/15/48/27/226154827.db2.gz QHIFFHSTDQYSHZ-LBPRGKRZSA-N 0 0 340.221 1.636 10 0 EDAERN O=c1c(I)c(Cl)ncn1Cc1ccno1 ZINC000166340809 226155577 /nfs/dbraw/zinc/15/55/77/226155577.db2.gz IYWPYOPSMWLOQQ-UHFFFAOYSA-N 0 0 337.504 1.538 10 0 EDAERN C[C@H](O)[C@H]1CCN(S(=O)(=O)CCSc2ccccc2N)C1 ZINC000167588194 226195555 /nfs/dbraw/zinc/19/55/55/226195555.db2.gz XSXRTJVGMUSOCP-RYUDHWBXSA-N 0 0 330.475 1.393 10 0 EDAERN O=C1CNC(=O)C2(CCCC2)N1Cc1ccc(Br)cn1 ZINC000168904346 226226092 /nfs/dbraw/zinc/22/60/92/226226092.db2.gz SBGDTJFIRDAISQ-UHFFFAOYSA-N 0 0 338.205 1.615 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc3c2oc(=O)n3C)C[C@@H]1C ZINC000122090538 222012768 /nfs/dbraw/zinc/01/27/68/222012768.db2.gz HRUSTAGNNZGNSS-ZDUSSCGKSA-N 0 0 347.415 1.314 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000122486078 222098142 /nfs/dbraw/zinc/09/81/42/222098142.db2.gz IIQZSGVVLMFXBP-AGIUHOORSA-N 0 0 337.424 1.110 10 0 EDAERN C[C@@H](CNC(=O)N1CCC(Cn2cccn2)CC1)N1CCOCC1 ZINC000122909486 222181268 /nfs/dbraw/zinc/18/12/68/222181268.db2.gz UZHULSBHVJTMTL-HNNXBMFYSA-N 0 0 335.452 1.025 10 0 EDAERN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123360462 222264190 /nfs/dbraw/zinc/26/41/90/222264190.db2.gz RRRDQTIODPWNJW-RHSMWYFYSA-N 0 0 343.427 1.852 10 0 EDAERN CCc1noc([C@H](C)N2CCN(Cc3cccnc3OC)CC2)n1 ZINC000193337204 272991142 /nfs/dbraw/zinc/99/11/42/272991142.db2.gz HWSHRTNEEYISSR-ZDUSSCGKSA-N 0 0 331.420 1.914 10 0 EDAERN CCC[C@@]1(COC)CCCN1C(=O)NC[C@H](C)N1CCOCC1 ZINC000193460936 272993905 /nfs/dbraw/zinc/99/39/05/272993905.db2.gz YKJHNRXOLHFIDX-RDJZCZTQSA-N 0 0 327.469 1.698 10 0 EDAERN COC(=O)[C@H]1CCCN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000083168299 267399528 /nfs/dbraw/zinc/39/95/28/267399528.db2.gz XSAJHAAKEHGJAN-GFCCVEGCSA-N 0 0 346.366 1.474 10 0 EDAERN CO[C@@H](C)[C@H](C)NC(=O)C1CCC(C(=O)N[C@@H](C)[C@H](C)OC)CC1 ZINC000188312460 267749693 /nfs/dbraw/zinc/74/96/93/267749693.db2.gz ZRWIVUMWNVZWQY-WDIQJBNESA-N 0 0 342.480 1.872 10 0 EDAERN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CNC(=O)C1 ZINC000194892550 267870793 /nfs/dbraw/zinc/87/07/93/267870793.db2.gz CSUWRMSUBKZPEX-INIZCTEOSA-N 0 0 348.406 1.837 10 0 EDAERN C[C@H]1CN(C(=O)NC2C[C@@H](C)O[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000245505495 287712218 /nfs/dbraw/zinc/71/22/18/287712218.db2.gz MFQBUQWJNIGUNX-NHIYQJMISA-N 0 0 325.453 1.305 10 0 EDAERN CC(C)n1nnnc1CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000195516450 276093014 /nfs/dbraw/zinc/09/30/14/276093014.db2.gz OATFQOXXKWROJV-MRXNPFEDSA-N 0 0 326.360 1.148 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000123806104 278143832 /nfs/dbraw/zinc/14/38/32/278143832.db2.gz NIWGDZKIWZNEDL-QXSJWSMHSA-N 0 0 335.448 1.644 10 0 EDAERN CC(=O)N[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000080025147 278179388 /nfs/dbraw/zinc/17/93/88/278179388.db2.gz AHOZGDBKWDCTKN-DOMZBBRYSA-N 0 0 331.416 1.817 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000245974215 279173978 /nfs/dbraw/zinc/17/39/78/279173978.db2.gz WMSFRZWNVKMXMX-DGCLKSJQSA-N 0 0 330.440 1.250 10 0 EDAERN CC(C)NC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171987122 279566948 /nfs/dbraw/zinc/56/69/48/279566948.db2.gz UXXIAVXTZOKSBL-YJBOKZPZSA-N 0 0 345.443 1.579 10 0 EDAERN CC(C)[C@@H]1N(S(=O)(=O)N2CCOC(C)(C)C2)C[C@@]12CCCO2 ZINC000328856401 280064795 /nfs/dbraw/zinc/06/47/95/280064795.db2.gz UFYZZWKBGZWORZ-ZFWWWQNUSA-N 0 0 332.466 1.231 10 0 EDAERN CC1(C)CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261752616 281219088 /nfs/dbraw/zinc/21/90/88/281219088.db2.gz DVGKSZPAZJEROD-CYBMUJFWSA-N 0 0 343.424 1.397 10 0 EDAERN CC1(C)CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261752617 281219215 /nfs/dbraw/zinc/21/92/15/281219215.db2.gz DVGKSZPAZJEROD-ZDUSSCGKSA-N 0 0 343.424 1.397 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@H]1COCc2ccccc21 ZINC000333604181 289046380 /nfs/dbraw/zinc/04/63/80/289046380.db2.gz WYQWTPFGHHQXIJ-FHLIZLRMSA-N 0 0 345.443 1.763 10 0 EDAERN COC[C@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000182579515 292986479 /nfs/dbraw/zinc/98/64/79/292986479.db2.gz VKFBWPOJOQUFCB-GXFFZTMASA-N 0 0 344.333 1.987 10 0 EDAERN CO[C@@H]1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2C[C@@H]2CCCO2)C1 ZINC000328793321 293761659 /nfs/dbraw/zinc/76/16/59/293761659.db2.gz CADBRNZJHOTENZ-LJISPDSOSA-N 0 0 336.436 1.780 10 0 EDAERN NC(=O)NC(=O)CCCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195511435 295068097 /nfs/dbraw/zinc/06/80/97/295068097.db2.gz ZVLGSZBQRWUCPE-LBPRGKRZSA-N 0 0 334.424 1.117 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)n1 ZINC000128891686 295156979 /nfs/dbraw/zinc/15/69/79/295156979.db2.gz QZMLHPZGXSYTFS-AWEZNQCLSA-N 0 0 343.387 1.434 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccnc(F)c3F)C2=O)n(C)n1 ZINC000193575266 301337422 /nfs/dbraw/zinc/33/74/22/301337422.db2.gz MXJQEJOUJHTJNG-NSHDSACASA-N 0 0 349.341 1.327 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)/C=C\c3cncc(O)c3)CCO2)n1 ZINC000492517923 305593825 /nfs/dbraw/zinc/59/38/25/305593825.db2.gz FWROFNAKRQCWMK-CWIOURORSA-N 0 0 342.399 1.541 10 0 EDAERN O=C(NCC1CC(O)C1)c1cccc(F)c1I ZINC000530088002 305931126 /nfs/dbraw/zinc/93/11/26/305931126.db2.gz GDVUKFNYBYVCJO-UHFFFAOYSA-N 0 0 349.143 1.931 10 0 EDAERN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)cc1 ZINC000002585956 440866075 /nfs/dbraw/zinc/86/60/75/440866075.db2.gz ATXDONQDDITMNX-HNNXBMFYSA-N 0 0 335.381 1.717 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCNC(=O)C1CC1 ZINC000043945338 440812231 /nfs/dbraw/zinc/81/22/31/440812231.db2.gz CBYGBSGFGRVRFL-CJNGLKHVSA-N 0 0 345.443 1.474 10 0 EDAERN O=C1[C@@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO ZINC000003830724 440907405 /nfs/dbraw/zinc/90/74/05/440907405.db2.gz VOJLELRQLPENHL-MRXNPFEDSA-N 0 0 348.761 1.974 10 0 in-man EDAERN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccnc2)[C@@H](C(=O)[O-])C1 ZINC000008699747 441098188 /nfs/dbraw/zinc/09/81/88/441098188.db2.gz BSLXXDJVYLOXKU-KBPBESRZSA-N 0 0 335.404 1.881 10 0 EDAERN COCCc1noc(CO[C@H]2CCCN(C(=O)c3ccoc3)C2)n1 ZINC000097942603 441146756 /nfs/dbraw/zinc/14/67/56/441146756.db2.gz RFCRMQLULZKBFW-ZDUSSCGKSA-N 0 0 335.360 1.673 10 0 EDAERN COc1cccc(COc2ccc(-c3nnn(CCO)n3)cc2)c1 ZINC000013744462 441166529 /nfs/dbraw/zinc/16/65/29/441166529.db2.gz KUHDSHAIFLUFBX-UHFFFAOYSA-N 0 0 326.356 1.920 10 0 EDAERN CC(C)(C)C(=O)NCCCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105814475 441276889 /nfs/dbraw/zinc/27/68/89/441276889.db2.gz CKAABPRYQUKWAJ-UHFFFAOYSA-N 0 0 347.463 1.822 10 0 EDAERN COCCc1noc(CN2CCN(Cc3cnc(C)s3)CC2)n1 ZINC000105814981 441277053 /nfs/dbraw/zinc/27/70/53/441277053.db2.gz YVGWRSPYEYDKRA-UHFFFAOYSA-N 0 0 337.449 1.341 10 0 EDAERN CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000081587912 441293999 /nfs/dbraw/zinc/29/39/99/441293999.db2.gz KVQPSWIAEWQPKE-HNNXBMFYSA-N 0 0 341.415 1.943 10 0 EDAERN COc1ccccc1OCCN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892744 441309977 /nfs/dbraw/zinc/30/99/77/441309977.db2.gz YYSYWQWYXSKRED-INIZCTEOSA-N 0 0 331.416 1.980 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000083561730 441363506 /nfs/dbraw/zinc/36/35/06/441363506.db2.gz CZAXZORHCGKPOJ-ZDUSSCGKSA-N 0 0 328.376 1.650 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049940166 441366538 /nfs/dbraw/zinc/36/65/38/441366538.db2.gz AHKICTLFDVYKEA-SSDOTTSWSA-N 0 0 347.202 1.447 10 0 EDAERN CCCNC(=O)Cc1nnc2cc(-c3nc(C(C)C)no3)ccn21 ZINC000065254542 441410722 /nfs/dbraw/zinc/41/07/22/441410722.db2.gz VBBKDEAKODYKSX-UHFFFAOYSA-N 0 0 328.376 1.971 10 0 EDAERN COc1ccc(CN2CCN(c3cnn4c(C)nnc4c3)CC2)cc1 ZINC000065282535 441414634 /nfs/dbraw/zinc/41/46/34/441414634.db2.gz AADKZTSSIGIJQC-UHFFFAOYSA-N 0 0 338.415 1.764 10 0 EDAERN O=C(C1CCOCC1)N1CCN2C(=O)N(Cc3ccccc3)C[C@H]2C1 ZINC000085436056 441440508 /nfs/dbraw/zinc/44/05/08/441440508.db2.gz OHQSSTLNUVJGFG-QGZVFWFLSA-N 0 0 343.427 1.562 10 0 EDAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@@H]1CNC(=O)C1)C1CC1 ZINC000112816746 441559660 /nfs/dbraw/zinc/55/96/60/441559660.db2.gz QCTJSWYOQRWEHX-GOEBONIOSA-N 0 0 344.411 1.288 10 0 EDAERN Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112656265 441553003 /nfs/dbraw/zinc/55/30/03/441553003.db2.gz YFRMHVIBWDZJBN-CQSZACIVSA-N 0 0 326.400 1.989 10 0 EDAERN CCCCOc1ncccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112746301 441558008 /nfs/dbraw/zinc/55/80/08/441558008.db2.gz AYYYDPPNAUHEPU-AWEZNQCLSA-N 0 0 344.419 1.666 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c2cccnc12 ZINC000113299111 441600109 /nfs/dbraw/zinc/60/01/09/441600109.db2.gz LLXATRYTAVWVTQ-LBPRGKRZSA-N 0 0 343.412 1.428 10 0 EDAERN Cc1cn([C@H]2CO[C@@H](COC(=O)c3ccccc3)S2)c(=O)[nH]c1=O ZINC000039137883 441616664 /nfs/dbraw/zinc/61/66/64/441616664.db2.gz JGFJWVZXUVDHTR-CHWSQXEVSA-N 0 0 348.380 1.290 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc[nH]c3=O)CC2)cn1 ZINC000113921759 441627324 /nfs/dbraw/zinc/62/73/24/441627324.db2.gz XUYZARFRCFBROW-UHFFFAOYSA-N 0 0 343.431 1.697 10 0 EDAERN CCOCc1nn2c(nc(COC(=O)c3ccco3)cc2=O)s1 ZINC000041077292 441631055 /nfs/dbraw/zinc/63/10/55/441631055.db2.gz QUSMVPZMWYTUBK-UHFFFAOYSA-N 0 0 335.341 1.638 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](C(N)=O)C1 ZINC000041130340 441635112 /nfs/dbraw/zinc/63/51/12/441635112.db2.gz GAYXBILIJNEEKQ-QEJZJMRPSA-N 0 0 331.416 1.165 10 0 EDAERN Cc1cn2c(I)cnc2c(S(C)(=O)=O)n1 ZINC000091365498 441697639 /nfs/dbraw/zinc/69/76/39/441697639.db2.gz HXMDUCCUDIQEGC-UHFFFAOYSA-N 0 0 337.142 1.046 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)OCC(F)(F)F)ncn1 ZINC000173289838 441703424 /nfs/dbraw/zinc/70/34/24/441703424.db2.gz CWFKKUFQBDQEHF-VIFPVBQESA-N 0 0 333.314 1.776 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)COc2ccccc2)ncn1 ZINC000173429174 441747662 /nfs/dbraw/zinc/74/76/62/441747662.db2.gz MYHIGDPVMXJYMI-AWEZNQCLSA-N 0 0 341.415 1.682 10 0 EDAERN NC(=O)CN1CCC(C(=O)N[C@H](c2ccco2)C(F)(F)F)CC1 ZINC000091831013 441747707 /nfs/dbraw/zinc/74/77/07/441747707.db2.gz HIDLZJVNPXUZRZ-GFCCVEGCSA-N 0 0 333.310 1.197 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2cccnc2)ncn1 ZINC000173445340 441752832 /nfs/dbraw/zinc/75/28/32/441752832.db2.gz VLICPLIHGIASHA-LFAOLKIESA-N 0 0 338.415 1.712 10 0 EDAERN O=C(NCCOCc1ccc(Cl)cc1)N[C@H]1CCc2ncnn2C1 ZINC000158807137 441764718 /nfs/dbraw/zinc/76/47/18/441764718.db2.gz CVKLMCCZFDCQQU-AWEZNQCLSA-N 0 0 349.822 1.762 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(c2cncc(-n3ccnc3C)n2)C1 ZINC000091627427 441722322 /nfs/dbraw/zinc/72/23/22/441722322.db2.gz KBDKCZWYIBFTIZ-CQSZACIVSA-N 0 0 338.419 1.966 10 0 EDAERN Cc1ccc(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1C(N)=O ZINC000121527933 441725729 /nfs/dbraw/zinc/72/57/29/441725729.db2.gz JNBRHESZXPXXRG-NSHDSACASA-N 0 0 342.403 1.904 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1cccc(C=O)c1)CC2 ZINC000136812350 441726794 /nfs/dbraw/zinc/72/67/94/441726794.db2.gz UJZHOQFSURTWBM-CQSZACIVSA-N 0 0 342.399 1.724 10 0 EDAERN COC(=O)[C@H](NC(=O)c1cccc(-n2cncn2)c1)c1ccccc1 ZINC000115353372 441729612 /nfs/dbraw/zinc/72/96/12/441729612.db2.gz XTNRUTBHDXOAAB-MRXNPFEDSA-N 0 0 336.351 1.911 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCc3cccc(F)c3F)CCO2)[nH]1 ZINC000173530202 441779407 /nfs/dbraw/zinc/77/94/07/441779407.db2.gz YHFLSOVGLLCPEO-CYBMUJFWSA-N 0 0 336.342 1.924 10 0 EDAERN O=C(CCSC[C@H](O)CO)Nc1cccc(Br)c1 ZINC000121791511 441781459 /nfs/dbraw/zinc/78/14/59/441781459.db2.gz KIZIQGLFNLUXMR-LLVKDONJSA-N 0 0 334.235 1.864 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(-n4cccn4)cc3)CCO2)[nH]1 ZINC000173536342 441782825 /nfs/dbraw/zinc/78/28/25/441782825.db2.gz BDVHHMIRRNOCPH-HNNXBMFYSA-N 0 0 338.371 1.513 10 0 EDAERN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C[C@H](O)C(C)C)C1 ZINC000159181675 441793026 /nfs/dbraw/zinc/79/30/26/441793026.db2.gz HLRXPYQLZYHZJM-NEPJUHHUSA-N 0 0 326.466 1.700 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCC(=O)N3CCCCC3)C2)cn1 ZINC000116419987 441820862 /nfs/dbraw/zinc/82/08/62/441820862.db2.gz USVYNTQSAWTZQV-AWEZNQCLSA-N 0 0 333.436 1.322 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)[nH]1 ZINC000173569033 441794521 /nfs/dbraw/zinc/79/45/21/441794521.db2.gz VKFXBFIILVQNDH-NSHDSACASA-N 0 0 332.408 1.601 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(C)(C)NS(C)(=O)=O ZINC000173570883 441795097 /nfs/dbraw/zinc/79/50/97/441795097.db2.gz JBVUFLLKADXNMW-LBPRGKRZSA-N 0 0 342.465 1.028 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(-n3cncn3)c(C)c2)CC1 ZINC000173585056 441799648 /nfs/dbraw/zinc/79/96/48/441799648.db2.gz BTBKZOXIVXTMTE-MRXNPFEDSA-N 0 0 343.431 1.104 10 0 EDAERN C[C@H](CC(=O)N1CC[C@H](c2cnn(C)c2)C1)NC(=O)c1ccccc1 ZINC000116228730 441803084 /nfs/dbraw/zinc/80/30/84/441803084.db2.gz BQYPDDLESDDBQT-ZBFHGGJFSA-N 0 0 340.427 1.945 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(Cc3cc(C(N)=O)cs3)CCO2)n1 ZINC000122646841 441857870 /nfs/dbraw/zinc/85/78/70/441857870.db2.gz ZECXWZBDXZCEQB-CQSZACIVSA-N 0 0 334.445 1.561 10 0 EDAERN CCc1cnc(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)s1 ZINC000173898266 441858383 /nfs/dbraw/zinc/85/83/83/441858383.db2.gz FDHOPOOVDWKVTC-CYBMUJFWSA-N 0 0 338.477 1.364 10 0 EDAERN CCn1ncc2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc21 ZINC000173898720 441859096 /nfs/dbraw/zinc/85/90/96/441859096.db2.gz FEMDQZZJFKBFES-INIZCTEOSA-N 0 0 343.431 1.995 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)c1ccc(Cl)s1 ZINC000093136765 441859803 /nfs/dbraw/zinc/85/98/03/441859803.db2.gz NAFLCCBQIUYXSB-CIUDSAMLSA-N 0 0 331.825 1.795 10 0 EDAERN C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173924195 441862593 /nfs/dbraw/zinc/86/25/93/441862593.db2.gz YOJKHBNHOSSPHV-AEFFLSMTSA-N 0 0 343.471 1.761 10 0 EDAERN COCCN1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C[C@@H]1C ZINC000117289317 441867503 /nfs/dbraw/zinc/86/75/03/441867503.db2.gz YKKJCGUIVKOKLY-HNNXBMFYSA-N 0 0 343.431 1.368 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc(C(=O)OC)cc2)CCN1CCOC ZINC000117308628 441869488 /nfs/dbraw/zinc/86/94/88/441869488.db2.gz LJCCJHHFPBSDLO-MRXNPFEDSA-N 0 0 334.416 1.656 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCN1CCOC ZINC000117308962 441869557 /nfs/dbraw/zinc/86/95/57/441869557.db2.gz USMNWWULWFTLEG-WBVHZDCISA-N 0 0 346.427 1.337 10 0 EDAERN COCCN1CCN(C(=O)NCCc2cc(C)ccc2OC)C[C@@H]1C ZINC000117472182 441872403 /nfs/dbraw/zinc/87/24/03/441872403.db2.gz HWPCVBNAHMBXJU-INIZCTEOSA-N 0 0 349.475 1.908 10 0 EDAERN COC(=O)c1c(C)[nH]c(C(=O)CN2CC[C@@H](N3CCOCC3)C2)c1C ZINC000173984904 441873239 /nfs/dbraw/zinc/87/32/39/441873239.db2.gz CDQKKQDDCSYUIL-CQSZACIVSA-N 0 0 349.431 1.007 10 0 EDAERN C[C@@H](COCc1ccccc1)NS(=O)(=O)CC1CCOCC1 ZINC000173792115 441842004 /nfs/dbraw/zinc/84/20/04/441842004.db2.gz SZGAMULQVWKDKG-AWEZNQCLSA-N 0 0 327.446 1.938 10 0 EDAERN C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1N1CCOCC1 ZINC000173835951 441848926 /nfs/dbraw/zinc/84/89/26/441848926.db2.gz LSXRIAUTNWKIAZ-KDOFPFPSSA-N 0 0 327.428 1.890 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H]1N1CCOCC1 ZINC000173875467 441854851 /nfs/dbraw/zinc/85/48/51/441854851.db2.gz WXZCFGIPCKCIAP-CXAGYDPISA-N 0 0 343.427 1.364 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(O)CCCCCC1 ZINC000118698318 441901865 /nfs/dbraw/zinc/90/18/65/441901865.db2.gz MOQUNXYZIQSGGV-CQSZACIVSA-N 0 0 346.493 1.392 10 0 EDAERN Cc1cnn(CCNC(=O)c2cc(N3CCNC3=O)ccc2F)c1 ZINC000119173452 441921163 /nfs/dbraw/zinc/92/11/63/441921163.db2.gz AFKUTJMOROBJKE-UHFFFAOYSA-N 0 0 331.351 1.290 10 0 EDAERN C[C@@H](NC(=O)COCc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000069352517 441922683 /nfs/dbraw/zinc/92/26/83/441922683.db2.gz MGAXPDKLGKUUNV-CYBMUJFWSA-N 0 0 348.424 1.728 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000174005194 441877361 /nfs/dbraw/zinc/87/73/61/441877361.db2.gz YWTZKUVXXMWVEU-OLZOCXBDSA-N 0 0 340.445 1.465 10 0 EDAERN COCCN1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C[C@@H]1C ZINC000123189565 441878820 /nfs/dbraw/zinc/87/88/20/441878820.db2.gz RYINVBLMIVPUGG-LBPRGKRZSA-N 0 0 347.390 1.460 10 0 EDAERN C[C@@H](CNC(=O)N[C@H]1CCOc2ccc(F)cc21)N1CCOCC1 ZINC000069064398 441885437 /nfs/dbraw/zinc/88/54/37/441885437.db2.gz JCRBSDGPMOQRCN-WFASDCNBSA-N 0 0 337.395 1.669 10 0 EDAERN COc1c(CN2CCCN(c3nc(C)ns3)CC2)c(C)nn1C ZINC000093716997 441893468 /nfs/dbraw/zinc/89/34/68/441893468.db2.gz TUVLJSUWGQIIRX-UHFFFAOYSA-N 0 0 336.465 1.609 10 0 EDAERN O=C1N[C@@H](c2cccc(OCc3ccccn3)c2)N2CCOC[C@@H]12 ZINC000093884828 441898562 /nfs/dbraw/zinc/89/85/62/441898562.db2.gz OMULVSHLHCUHON-DLBZAZTESA-N 0 0 325.368 1.490 10 0 EDAERN Cc1cnc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)s1 ZINC000123797952 441898883 /nfs/dbraw/zinc/89/88/83/441898883.db2.gz CDXSZOGALXRHFP-UHFFFAOYSA-N 0 0 333.417 1.525 10 0 EDAERN CC[C@@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)CC[N@@H+]1CCOC ZINC000174484864 441930147 /nfs/dbraw/zinc/93/01/47/441930147.db2.gz NHRXMBRNAVOBPA-MRXNPFEDSA-N 0 0 335.452 1.868 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1noc(C)n1 ZINC000124490621 441931726 /nfs/dbraw/zinc/93/17/26/441931726.db2.gz DMNDWNNEHBCOPU-IAQYHMDHSA-N 0 0 330.388 1.839 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](CC(C)C)N1CCCCC1=O ZINC000119400225 441932466 /nfs/dbraw/zinc/93/24/66/441932466.db2.gz VNWOLSUNMZKMPN-GJZGRUSLSA-N 0 0 347.463 1.965 10 0 EDAERN CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cc(C)no1)CC2 ZINC000095528683 441950124 /nfs/dbraw/zinc/95/01/24/441950124.db2.gz WCFXNQFMRWVUQS-UHFFFAOYSA-N 0 0 343.431 1.992 10 0 EDAERN CNC(=O)Cn1cnc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000174716842 441957354 /nfs/dbraw/zinc/95/73/54/441957354.db2.gz MYGXVCDGTIESLV-LSDHHAIUSA-N 0 0 341.415 1.890 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCS(=O)(=O)CC)C1 ZINC000150845681 441961342 /nfs/dbraw/zinc/96/13/42/441961342.db2.gz AEHXNBSXCKSYKT-ZDUSSCGKSA-N 0 0 342.465 1.227 10 0 EDAERN CCc1nc(C2(NC(=O)CCCN(C)C(=O)OC)CCCC2)no1 ZINC000175149945 442010211 /nfs/dbraw/zinc/01/02/11/442010211.db2.gz UCBVYTIZYBNNAD-UHFFFAOYSA-N 0 0 338.408 1.996 10 0 EDAERN CCn1cc(S(=O)(=O)NC2CCC(c3ncno3)CC2)cn1 ZINC000079103996 442018842 /nfs/dbraw/zinc/01/88/42/442018842.db2.gz CNDQCZGYFOMKFK-UHFFFAOYSA-N 0 0 325.394 1.291 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCCOCC(F)(F)F)C1 ZINC000079286937 442035605 /nfs/dbraw/zinc/03/56/05/442035605.db2.gz UTNDIXBVGHKRBZ-LLVKDONJSA-N 0 0 325.331 1.266 10 0 EDAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)co1 ZINC000120423636 442069216 /nfs/dbraw/zinc/06/92/16/442069216.db2.gz WXRUVYNGMQBSTG-OLZOCXBDSA-N 0 0 342.417 1.314 10 0 EDAERN O=C(NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)NCc1ccco1 ZINC000151565070 442085394 /nfs/dbraw/zinc/08/53/94/442085394.db2.gz CFIQVDREFSXKCY-SUMWQHHRSA-N 0 0 335.404 1.232 10 0 EDAERN CCc1ccccc1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175571904 442087636 /nfs/dbraw/zinc/08/76/36/442087636.db2.gz NIMVARNMAIDPSN-OAHLLOKOSA-N 0 0 329.404 1.959 10 0 EDAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000126439569 442111509 /nfs/dbraw/zinc/11/15/09/442111509.db2.gz IFYROSTYPPTDJY-CYBMUJFWSA-N 0 0 342.465 1.080 10 0 EDAERN C[C@H]1CN(C(=O)NCCCOC2CCCC2)C[C@H]1N1CCOCC1 ZINC000175731769 442112789 /nfs/dbraw/zinc/11/27/89/442112789.db2.gz NWPITPUPTSLEPW-DOTOQJQBSA-N 0 0 339.480 1.698 10 0 EDAERN Cc1noc(C)c1CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175768716 442118482 /nfs/dbraw/zinc/11/84/82/442118482.db2.gz LOGQMWKIRGMZNU-MLGOLLRUSA-N 0 0 336.436 1.196 10 0 EDAERN CCc1nc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cs1 ZINC000175769875 442118783 /nfs/dbraw/zinc/11/87/83/442118783.db2.gz PVALUMKSOXDTRA-GXTWGEPZSA-N 0 0 338.477 1.568 10 0 EDAERN C[C@@H]1CC[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)c2ccccc21 ZINC000162766594 442120396 /nfs/dbraw/zinc/12/03/96/442120396.db2.gz PNHNHHZORGTAQS-ABAIWWIYSA-N 0 0 348.428 1.285 10 0 EDAERN CCO[C@@H](C)c1noc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)n1 ZINC000120730609 442123209 /nfs/dbraw/zinc/12/32/09/442123209.db2.gz WGUBLFUOUGXPIU-GJZGRUSLSA-N 0 0 349.435 1.881 10 0 EDAERN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000126579926 442124596 /nfs/dbraw/zinc/12/45/96/442124596.db2.gz UPNLETHXVRLUIW-GZBFAFLISA-N 0 0 325.430 1.923 10 0 EDAERN CC(C)[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000120808322 442136494 /nfs/dbraw/zinc/13/64/94/442136494.db2.gz XIBSRRVYDITKBI-QWRGUYRKSA-N 0 0 338.412 1.317 10 0 EDAERN C[C@H]1CN(C(=O)NCCCNc2ccccn2)C[C@H]1N1CCOCC1 ZINC000175679405 442104334 /nfs/dbraw/zinc/10/43/34/442104334.db2.gz PUIYHLRJJOYLTG-JKSUJKDBSA-N 0 0 347.463 1.246 10 0 EDAERN CCCc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176103556 442176101 /nfs/dbraw/zinc/17/61/01/442176101.db2.gz HJCKRAVZXGPVBI-AWEZNQCLSA-N 0 0 327.388 1.820 10 0 EDAERN CS[C@H](C)CNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000163727851 442180186 /nfs/dbraw/zinc/18/01/86/442180186.db2.gz NSKBTYPPSYSOTB-GFCCVEGCSA-N 0 0 339.509 1.616 10 0 EDAERN CNC(=O)COc1cccc(CC(=O)N[C@H]2COc3ccccc32)c1 ZINC000121336692 442204743 /nfs/dbraw/zinc/20/47/43/442204743.db2.gz APIUTAASGRFBBX-INIZCTEOSA-N 0 0 340.379 1.604 10 0 EDAERN COc1cccc([C@H](O)C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000164588058 442199037 /nfs/dbraw/zinc/19/90/37/442199037.db2.gz UOQOEMPGDAVAKX-PBHICJAKSA-N 0 0 342.399 1.304 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)C[C@H]3CCCCO3)CC2)cn1 ZINC000152369849 442203436 /nfs/dbraw/zinc/20/34/36/442203436.db2.gz RTXPDYPTHWYJAN-QGZVFWFLSA-N 0 0 334.464 1.897 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NC[C@@H]3CCCS3)CCO2)n1 ZINC000126916843 442154271 /nfs/dbraw/zinc/15/42/71/442154271.db2.gz NOTGQRYSCULLEG-GJZGRUSLSA-N 0 0 338.477 1.806 10 0 EDAERN O=S(=O)(N1CC[C@H](Oc2cccnc2)C1)N1CCCCCC1 ZINC000097015742 442155439 /nfs/dbraw/zinc/15/54/39/442155439.db2.gz BAHPYMHWLVOOCW-HNNXBMFYSA-N 0 0 325.434 1.656 10 0 EDAERN O=C(CN1CCCC1=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176401506 442218192 /nfs/dbraw/zinc/21/81/92/442218192.db2.gz CXTXHPQTHSRUKD-ZDUSSCGKSA-N 0 0 331.420 1.290 10 0 EDAERN CCNC(=O)C1CN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)C1 ZINC000176424657 442220717 /nfs/dbraw/zinc/22/07/17/442220717.db2.gz NMAJORSRKVZWDF-BBRMVZONSA-N 0 0 345.443 1.426 10 0 EDAERN Cc1nc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3C2=O)cs1 ZINC000170524876 442232706 /nfs/dbraw/zinc/23/27/06/442232706.db2.gz SZRJZNNSEXXVFB-SECBINFHSA-N 0 0 329.381 1.925 10 0 EDAERN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CNC(=O)C2)n(-c2ccccc2)n1 ZINC000153010294 442255812 /nfs/dbraw/zinc/25/58/12/442255812.db2.gz RMABRCLBDJKUFG-JSGCOSHPSA-N 0 0 326.400 1.364 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCOCC1CC1 ZINC000152848260 442247213 /nfs/dbraw/zinc/24/72/13/442247213.db2.gz OKHWLZLELNZBAH-ZDUSSCGKSA-N 0 0 337.424 1.327 10 0 EDAERN CCOCCN1CCN(C(=O)CCc2nnc(C(C)C)o2)C[C@@H]1C ZINC000176859618 442264464 /nfs/dbraw/zinc/26/44/64/442264464.db2.gz SSJJKPUTBGTTQX-AWEZNQCLSA-N 0 0 338.452 1.695 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CCC(Cn3cccn3)CC2)CC1 ZINC000176876245 442265516 /nfs/dbraw/zinc/26/55/16/442265516.db2.gz XGGHYYPDJGPJJS-UHFFFAOYSA-N 0 0 339.461 1.337 10 0 EDAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000170821832 442269139 /nfs/dbraw/zinc/26/91/39/442269139.db2.gz NUAWMJVHBFVLPK-GUIRCDHDSA-N 0 0 331.416 1.763 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000176922023 442273983 /nfs/dbraw/zinc/27/39/83/442273983.db2.gz FWAUMNYCPRTDIE-CQSZACIVSA-N 0 0 339.457 1.923 10 0 EDAERN COc1ccc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1F ZINC000177023628 442287262 /nfs/dbraw/zinc/28/72/62/442287262.db2.gz HIBKNOAKJPXRRZ-CYBMUJFWSA-N 0 0 335.339 1.866 10 0 EDAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000177035296 442288445 /nfs/dbraw/zinc/28/84/45/442288445.db2.gz JCQWEMVJGGANLQ-MRXNPFEDSA-N 0 0 338.473 1.788 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(F)ccc1F ZINC000177098697 442296892 /nfs/dbraw/zinc/29/68/92/442296892.db2.gz CLEOENHLTOLSHO-INIZCTEOSA-N 0 0 347.365 1.903 10 0 EDAERN COc1c(CNC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c(C)nn1C ZINC000153782935 442302729 /nfs/dbraw/zinc/30/27/29/442302729.db2.gz USEXPZPDBBSVAF-AWEZNQCLSA-N 0 0 346.435 1.789 10 0 EDAERN COC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1C)c1ccccc1 ZINC000154353129 442334458 /nfs/dbraw/zinc/33/44/58/442334458.db2.gz KFKDTJYEEIPHBN-KRWDZBQOSA-N 0 0 340.379 1.755 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C(=O)C1(C)C ZINC000154371298 442336064 /nfs/dbraw/zinc/33/60/64/442336064.db2.gz LLXCGFOULLLOKO-GFCCVEGCSA-N 0 0 332.404 1.276 10 0 EDAERN Cc1cc(C)cc(N2CC[C@@H](C(=O)NC[C@@H]3CN(C)CCO3)C2=O)c1 ZINC000171286353 442338184 /nfs/dbraw/zinc/33/81/84/442338184.db2.gz LQNZPTMDCDGSCR-SJORKVTESA-N 0 0 345.443 1.103 10 0 EDAERN C[C@@H](O)CN(C)C(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000177431615 442340815 /nfs/dbraw/zinc/34/08/15/442340815.db2.gz CIWUVJWIQSMOIK-ABAIWWIYSA-N 0 0 347.440 1.522 10 0 EDAERN COC[C@H](C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000171434322 442348089 /nfs/dbraw/zinc/34/80/89/442348089.db2.gz QFMVXLCBVIFDRR-NSHDSACASA-N 0 0 346.474 1.300 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)Nc3ccc(C(N)=O)cc3)C2)no1 ZINC000171445634 442348961 /nfs/dbraw/zinc/34/89/61/442348961.db2.gz CFGISAOOWFJMEI-LBPRGKRZSA-N 0 0 343.387 1.964 10 0 EDAERN C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000154647832 442350258 /nfs/dbraw/zinc/35/02/58/442350258.db2.gz AIFNIZIEAXARDC-WBVHZDCISA-N 0 0 332.448 1.976 10 0 EDAERN COc1c(CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C)nn1C ZINC000153841560 442306656 /nfs/dbraw/zinc/30/66/56/442306656.db2.gz IVHRIBXCACIVLK-IUODEOHRSA-N 0 0 346.435 1.726 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)c1ccccn1 ZINC000177158902 442307197 /nfs/dbraw/zinc/30/71/97/442307197.db2.gz UXOUPEBTHFTNSD-CQSZACIVSA-N 0 0 327.388 1.008 10 0 EDAERN C[C@@H]1CN(C(=O)NCCc2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000177229589 442316399 /nfs/dbraw/zinc/31/63/99/442316399.db2.gz MFYQGBOTDVCDBN-RHSMWYFYSA-N 0 0 335.423 1.730 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCOC3CCOCC3)C2)no1 ZINC000177231091 442317424 /nfs/dbraw/zinc/31/74/24/442317424.db2.gz HEFUHJWATNDTRI-AWEZNQCLSA-N 0 0 337.420 1.745 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)CC2 ZINC000177636525 442365541 /nfs/dbraw/zinc/36/55/41/442365541.db2.gz FHIAVKJDDOAZJZ-NSHDSACASA-N 0 0 349.341 1.188 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000171639029 442365733 /nfs/dbraw/zinc/36/57/33/442365733.db2.gz RHMOHESXAVRPLG-ZDUSSCGKSA-N 0 0 347.337 1.715 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000171653384 442366929 /nfs/dbraw/zinc/36/69/29/442366929.db2.gz CVTIUMWMFFXUOA-INIZCTEOSA-N 0 0 346.406 1.540 10 0 EDAERN CN(CC(=O)N1CCC[C@H](n2cncn2)C1)C(=O)c1cccs1 ZINC000171662157 442367562 /nfs/dbraw/zinc/36/75/62/442367562.db2.gz YBYATPCDWQHLQM-LBPRGKRZSA-N 0 0 333.417 1.275 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000155028034 442371951 /nfs/dbraw/zinc/37/19/51/442371951.db2.gz CSNFMCBTEXPUOE-GHMZBOCLSA-N 0 0 342.342 1.654 10 0 EDAERN CCOc1ccccc1NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171704521 442372221 /nfs/dbraw/zinc/37/22/21/442372221.db2.gz JISXDKGFOLWXNG-AWEZNQCLSA-N 0 0 329.404 1.952 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177714860 442374889 /nfs/dbraw/zinc/37/48/89/442374889.db2.gz RNRVDAMBVRXGQT-XJKSGUPXSA-N 0 0 346.431 1.231 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171739793 442375716 /nfs/dbraw/zinc/37/57/16/442375716.db2.gz MOTWRXQZKJUEAU-GHMZBOCLSA-N 0 0 332.372 1.124 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(C)cc1 ZINC000155236277 442383569 /nfs/dbraw/zinc/38/35/69/442383569.db2.gz VJBVMHGVBNLTHV-AWEZNQCLSA-N 0 0 330.388 1.763 10 0 EDAERN CC(C)C(=O)NCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171986499 442395876 /nfs/dbraw/zinc/39/58/76/442395876.db2.gz LKVRKRRPBAJLPA-NVXWUHKLSA-N 0 0 345.443 1.485 10 0 EDAERN COCCn1cc(C(=O)N[C@H]2CCc3ncnn3C2)c2ccccc21 ZINC000172002364 442397763 /nfs/dbraw/zinc/39/77/63/442397763.db2.gz MECVYVGEJHUXKM-ZDUSSCGKSA-N 0 0 339.399 1.624 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000178020378 442402227 /nfs/dbraw/zinc/40/22/27/442402227.db2.gz ZAMYHBVANNGCRD-GOEBONIOSA-N 0 0 333.432 1.902 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)Nc3cccc(C(N)=O)c3)C2)no1 ZINC000171564213 442357404 /nfs/dbraw/zinc/35/74/04/442357404.db2.gz LMFLPMOQYLOTCM-LBPRGKRZSA-N 0 0 343.387 1.964 10 0 EDAERN O=C(C[C@H]1C(=O)Nc2ccccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000171580941 442359344 /nfs/dbraw/zinc/35/93/44/442359344.db2.gz LNKPGJFGDOAREB-TZMCWYRMSA-N 0 0 325.372 1.568 10 0 EDAERN Cc1ccc2c(c1)N(S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@@H](C)O2 ZINC000177594524 442361006 /nfs/dbraw/zinc/36/10/06/442361006.db2.gz SDAQQJBRJZPPEA-HZSPNIEDSA-N 0 0 340.445 1.936 10 0 EDAERN CCCN(CCC)C(=O)CCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171602479 442361547 /nfs/dbraw/zinc/36/15/47/442361547.db2.gz IVROWOOKWUTJMM-OAHLLOKOSA-N 0 0 335.452 1.870 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)N(C)CCN2CCN(c3ccccc3)CC2)O1 ZINC000155827811 442429854 /nfs/dbraw/zinc/42/98/54/442429854.db2.gz GIWPUPXQECPWGO-SJLPKXTDSA-N 0 0 331.460 1.835 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnc(C)nc1C(C)C)CC2 ZINC000172254729 442431277 /nfs/dbraw/zinc/43/12/77/442431277.db2.gz KAFGTPAYRVDCHA-GFCCVEGCSA-N 0 0 328.420 1.807 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1csc(-c2ccco2)n1)C(C)C ZINC000178439836 442433654 /nfs/dbraw/zinc/43/36/54/442433654.db2.gz OBYMAZBVTXWHLN-GFCCVEGCSA-N 0 0 336.417 1.973 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)C[C@H]2COc3ccccc3O2)c1 ZINC000172291811 442436111 /nfs/dbraw/zinc/43/61/11/442436111.db2.gz ZJNYURONHBEIAR-AWEZNQCLSA-N 0 0 330.388 1.673 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155974113 442440544 /nfs/dbraw/zinc/44/05/44/442440544.db2.gz DOVCINMMYXZALZ-OIRASMEMSA-N 0 0 345.432 1.845 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(C)C ZINC000178677695 442455788 /nfs/dbraw/zinc/45/57/88/442455788.db2.gz COMZFXUVFBOXTL-JKSUJKDBSA-N 0 0 334.416 1.745 10 0 EDAERN C[C@H](CCNC(=O)[C@H]1CCn2ccnc2C1)NC(=O)OC(C)(C)C ZINC000178806504 442490148 /nfs/dbraw/zinc/49/01/48/442490148.db2.gz KJDRXUIHPSBEMZ-OLZOCXBDSA-N 0 0 336.436 1.865 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H]3CCCc4n[nH]cc43)CCO2)cn1 ZINC000191709996 442495011 /nfs/dbraw/zinc/49/50/11/442495011.db2.gz DJUQTBCVYBFICC-XJKSGUPXSA-N 0 0 329.404 1.646 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H](O)c3cccc(OC)c3)CCO2)cn1 ZINC000191711318 442495463 /nfs/dbraw/zinc/49/54/63/442495463.db2.gz UFQZOTRDXLOPIJ-IAGOWNOFSA-N 0 0 345.399 1.545 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1-n1ccc(C(N)=O)n1 ZINC000191768829 442507759 /nfs/dbraw/zinc/50/77/59/442507759.db2.gz CLOKONOMJXKWOD-RYUDHWBXSA-N 0 0 328.372 1.725 10 0 EDAERN CCc1ccccc1N1C[C@H](C(=O)N[C@@H](C(=O)NC)C(C)C)CC1=O ZINC000178729795 442466900 /nfs/dbraw/zinc/46/69/00/442466900.db2.gz OYFGTOWRGGKTCU-RHSMWYFYSA-N 0 0 345.443 1.489 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccon2)CC1 ZINC000191588032 442471045 /nfs/dbraw/zinc/47/10/45/442471045.db2.gz ITWQSXCLBCHSGW-ZDUSSCGKSA-N 0 0 337.420 1.943 10 0 EDAERN CO[C@@H](C)C(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191588879 442471148 /nfs/dbraw/zinc/47/11/48/442471148.db2.gz XEBGKYFMZIQBHL-KBPBESRZSA-N 0 0 328.453 1.676 10 0 EDAERN Cc1ccc(Br)nc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000191600976 442473462 /nfs/dbraw/zinc/47/34/62/442473462.db2.gz DJLHUCSOYZYNQR-VIFPVBQESA-N 0 0 336.193 1.489 10 0 EDAERN CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000191605462 442474947 /nfs/dbraw/zinc/47/49/47/442474947.db2.gz XUECECSIWPVJEU-GFCCVEGCSA-N 0 0 330.388 1.820 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCN1CCCC1=O)CC2 ZINC000172505513 442476163 /nfs/dbraw/zinc/47/61/63/442476163.db2.gz BKXAJESGWROCTK-CYBMUJFWSA-N 0 0 348.451 1.028 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000156427999 442479995 /nfs/dbraw/zinc/47/99/95/442479995.db2.gz QLXXHXGECOISMK-MWLCHTKSSA-N 0 0 332.372 1.902 10 0 EDAERN C[C@@H](NC(=O)NC[C@]1(O)CCOC1)c1cccc(-n2ccnc2)c1 ZINC000179609711 442480275 /nfs/dbraw/zinc/48/02/75/442480275.db2.gz QBLHXVZTZKZBOD-CXAGYDPISA-N 0 0 330.388 1.384 10 0 EDAERN O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172760859 442537201 /nfs/dbraw/zinc/53/72/01/442537201.db2.gz ZQWPDKZZEWJRDQ-LBPRGKRZSA-N 0 0 329.322 1.647 10 0 EDAERN O=C(c1cccnc1N1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000172763412 442538200 /nfs/dbraw/zinc/53/82/00/442538200.db2.gz CEFBYWXTTXXNFB-INIZCTEOSA-N 0 0 344.459 1.619 10 0 EDAERN CCCN(CC)c1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000172768374 442539411 /nfs/dbraw/zinc/53/94/11/442539411.db2.gz UBIZTZMDOIOQSJ-QGZVFWFLSA-N 0 0 346.475 1.865 10 0 EDAERN O=C(c1coc(-c2ccccc2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000172769296 442540399 /nfs/dbraw/zinc/54/03/99/442540399.db2.gz DAXOACRDDBIXHD-HNNXBMFYSA-N 0 0 327.384 1.888 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3cccc4nccn43)CC2)n1 ZINC000180110326 442542502 /nfs/dbraw/zinc/54/25/02/442542502.db2.gz GZCGMUKBQSJKHS-UHFFFAOYSA-N 0 0 338.415 1.845 10 0 EDAERN CCCCCNC(=O)[C@H](C)N1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191996037 442558946 /nfs/dbraw/zinc/55/89/46/442558946.db2.gz YRHVOLTWEDUQTG-AWEZNQCLSA-N 0 0 327.469 1.552 10 0 EDAERN CN(Cc1nccc(N)n1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000135053675 442549953 /nfs/dbraw/zinc/54/99/53/442549953.db2.gz ZLQYSNMUVHVGAY-ZDUSSCGKSA-N 0 0 333.461 1.626 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCOCC1CC1 ZINC000134683970 442511501 /nfs/dbraw/zinc/51/15/01/442511501.db2.gz KISCEZOUPLTJRB-CYBMUJFWSA-N 0 0 337.424 1.375 10 0 EDAERN COCCn1cc(NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000172641095 442513165 /nfs/dbraw/zinc/51/31/65/442513165.db2.gz CBNXVQYIKPCSBA-GFCCVEGCSA-N 0 0 347.423 1.381 10 0 EDAERN C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)n1cncn1 ZINC000172734704 442529690 /nfs/dbraw/zinc/52/96/90/442529690.db2.gz VDFXGJXQBJFOIF-RLAWYHOSSA-N 0 0 349.435 1.886 10 0 EDAERN C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135265151 442574021 /nfs/dbraw/zinc/57/40/21/442574021.db2.gz LADSPCRYHZBVSY-ZIAGYGMSSA-N 0 0 327.388 1.424 10 0 EDAERN CN(C)c1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135273786 442574361 /nfs/dbraw/zinc/57/43/61/442574361.db2.gz LCLRFIYZRKNHKN-CQSZACIVSA-N 0 0 326.404 1.336 10 0 EDAERN COCCOCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179116424 442575983 /nfs/dbraw/zinc/57/59/83/442575983.db2.gz QYYSZVAGQCGHBO-GOEBONIOSA-N 0 0 338.379 1.124 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ncccc3C(F)(F)F)CCO2)[nH]1 ZINC000180322977 442581536 /nfs/dbraw/zinc/58/15/36/442581536.db2.gz BJDFJUOUQALRTA-SNVBAGLBSA-N 0 0 341.293 1.741 10 0 EDAERN Cc1ccc(OCC(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)cc1 ZINC000186666029 442586705 /nfs/dbraw/zinc/58/67/05/442586705.db2.gz TXYLEVVYKYUCLS-HNNXBMFYSA-N 0 0 334.416 1.771 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCCC2)O1)N[C@@H]1CCc2ncnn2C1 ZINC000180466129 442606128 /nfs/dbraw/zinc/60/61/28/442606128.db2.gz BBUXVWNJMNYNNJ-ZIAGYGMSSA-N 0 0 349.435 1.358 10 0 EDAERN CC(C)Cc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000180485460 442609791 /nfs/dbraw/zinc/60/97/91/442609791.db2.gz ZUSNWYHJGXKWCK-YOEHRIQHSA-N 0 0 347.459 1.778 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180249291 442566279 /nfs/dbraw/zinc/56/62/79/442566279.db2.gz XEZGVVUNSXLHKE-XJKSGUPXSA-N 0 0 349.406 1.252 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180250002 442566350 /nfs/dbraw/zinc/56/63/50/442566350.db2.gz XVAZOQPDZZVHFA-BLLLJJGKSA-N 0 0 349.406 1.252 10 0 EDAERN CCNS(=O)(=O)c1ccc2c(c1)N(Cc1nnc(CC)n1C)CC2 ZINC000172918428 442567135 /nfs/dbraw/zinc/56/71/35/442567135.db2.gz IRJJJCILHSZTPT-UHFFFAOYSA-N 0 0 349.460 1.238 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1C ZINC000180252748 442567163 /nfs/dbraw/zinc/56/71/63/442567163.db2.gz QULGFIBKRJEDCO-DOTOQJQBSA-N 0 0 345.443 1.421 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)ccc1C ZINC000180615149 442635467 /nfs/dbraw/zinc/63/54/67/442635467.db2.gz CVGOKTWLMVDRJT-HUUCEWRRSA-N 0 0 347.459 1.409 10 0 EDAERN CC[C@@H](C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1)N1CCCC1=O ZINC000173273299 442638797 /nfs/dbraw/zinc/63/87/97/442638797.db2.gz NCKPUGCVDMCENR-HOTGVXAUSA-N 0 0 348.447 1.128 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCNC(=O)N(C)C ZINC000180641962 442641311 /nfs/dbraw/zinc/64/13/11/442641311.db2.gz ZNIKZPOJGLNHIG-ZFWWWQNUSA-N 0 0 348.447 1.219 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)n(C)n1 ZINC000180680493 442646907 /nfs/dbraw/zinc/64/69/07/442646907.db2.gz URGGTWYATBGQPC-GFCCVEGCSA-N 0 0 344.419 1.061 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(O)ccc2OC)C[C@@H]1CC ZINC000187068793 442650372 /nfs/dbraw/zinc/65/03/72/442650372.db2.gz KYXRHAQZWVVCRQ-AWEZNQCLSA-N 0 0 336.432 1.974 10 0 EDAERN C[C@H](O)CNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000192516453 442656425 /nfs/dbraw/zinc/65/64/25/442656425.db2.gz YSJUTMJAZRLVJD-AVGNSLFASA-N 0 0 327.450 1.190 10 0 EDAERN CCCn1c(C)nnc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000179334462 442623991 /nfs/dbraw/zinc/62/39/91/442623991.db2.gz WSYHLZLYMKKPKA-UHFFFAOYSA-N 0 0 329.330 1.623 10 0 EDAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179355493 442629804 /nfs/dbraw/zinc/62/98/04/442629804.db2.gz GDSYKZTXSKDJSH-GFCCVEGCSA-N 0 0 327.344 1.503 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCc3cnn(C)c3C)C2)no1 ZINC000179355833 442629887 /nfs/dbraw/zinc/62/98/87/442629887.db2.gz AZXLXAVOUSEORD-ZDUSSCGKSA-N 0 0 332.408 1.584 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccc(OCC2CC2)nc1)C(C)C ZINC000192663787 442674260 /nfs/dbraw/zinc/67/42/60/442674260.db2.gz BSUPSSIGVMFVKA-OAHLLOKOSA-N 0 0 334.420 1.440 10 0 EDAERN Cc1nc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(=O)[nH]c1C ZINC000187664113 442684623 /nfs/dbraw/zinc/68/46/23/442684623.db2.gz DXCHJTGLQVMVQS-STQMWFEESA-N 0 0 333.413 1.296 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192796325 442686816 /nfs/dbraw/zinc/68/68/16/442686816.db2.gz IOVYNBSKXRNTGH-RDTXWAMCSA-N 0 0 332.400 1.828 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2n[nH]nc2c1 ZINC000192549939 442661668 /nfs/dbraw/zinc/66/16/68/442661668.db2.gz SDFHJAAKRHRIJZ-LKTVYLICSA-N 0 0 328.372 1.904 10 0 EDAERN CCCCNC(=O)NC(=O)CN1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188156928 442717704 /nfs/dbraw/zinc/71/77/04/442717704.db2.gz AIKVAGRQLYVPDP-KGLIPLIRSA-N 0 0 339.461 1.382 10 0 EDAERN COC(=O)C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)c1ccccc1 ZINC000181847016 442719115 /nfs/dbraw/zinc/71/91/15/442719115.db2.gz AGQUBARBRLFSPK-LLVKDONJSA-N 0 0 346.305 1.476 10 0 EDAERN CCS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000193188020 442721118 /nfs/dbraw/zinc/72/11/18/442721118.db2.gz JONBTYMQGHGCQR-NSHDSACASA-N 0 0 345.490 1.922 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000193272796 442728134 /nfs/dbraw/zinc/72/81/34/442728134.db2.gz JVCADLQJCYWEFK-ZDUSSCGKSA-N 0 0 327.388 1.387 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000193364341 442735913 /nfs/dbraw/zinc/73/59/13/442735913.db2.gz KWUUQRQEWONBFU-PBHICJAKSA-N 0 0 338.379 1.770 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC000188313090 442737556 /nfs/dbraw/zinc/73/75/56/442737556.db2.gz JTIKJNNJGKOUOF-UHFFFAOYSA-N 0 0 347.459 1.683 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000193458169 442744466 /nfs/dbraw/zinc/74/44/66/442744466.db2.gz WTOGNVCWBHDDSG-INIZCTEOSA-N 0 0 331.416 1.468 10 0 EDAERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000188445741 442750875 /nfs/dbraw/zinc/75/08/75/442750875.db2.gz GCZPCJUISYINHW-ZLDLUXBVSA-N 0 0 342.399 1.530 10 0 EDAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000193576154 442755489 /nfs/dbraw/zinc/75/54/89/442755489.db2.gz HFQAXCVCFHPZOK-BZNIZROVSA-N 0 0 337.807 1.827 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)CC1(O)CCCC1)CC2 ZINC000181750230 442714579 /nfs/dbraw/zinc/71/45/79/442714579.db2.gz QBOUCZHBQSDJPG-ZDUSSCGKSA-N 0 0 335.452 1.663 10 0 EDAERN C[S@](=O)Cc1cccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188528182 442760254 /nfs/dbraw/zinc/76/02/54/442760254.db2.gz MUHMFFAJNPDIIS-QHCPKHFHSA-N 0 0 334.441 1.306 10 0 EDAERN CCOC(=O)NCC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000193736656 442776147 /nfs/dbraw/zinc/77/61/47/442776147.db2.gz MXYKSQNHOGMDNH-MFKMUULPSA-N 0 0 328.315 1.345 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2c(F)ccc(OC)c2OC)CC1 ZINC000188639254 442776649 /nfs/dbraw/zinc/77/66/49/442776649.db2.gz ZSKGGGVUAGAJIX-GFCCVEGCSA-N 0 0 340.395 1.372 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000193738517 442776935 /nfs/dbraw/zinc/77/69/35/442776935.db2.gz NNXCWLRKHGYOJL-RTBURBONSA-N 0 0 342.439 1.901 10 0 EDAERN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000193763794 442782479 /nfs/dbraw/zinc/78/24/79/442782479.db2.gz SIVFCTYVFYCJGK-GUYCJALGSA-N 0 0 349.435 1.214 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000193763389 442782620 /nfs/dbraw/zinc/78/26/20/442782620.db2.gz PMFDGAXSSBNBMA-HUUCEWRRSA-N 0 0 346.362 1.240 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000246832685 442816244 /nfs/dbraw/zinc/81/62/44/442816244.db2.gz BFILDKJUKKWGHY-NEPJUHHUSA-N 0 0 339.823 1.192 10 0 EDAERN CC(C)OCCCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000182756592 442820664 /nfs/dbraw/zinc/82/06/64/442820664.db2.gz SWQMOVKAAJNQAA-JKSUJKDBSA-N 0 0 327.469 1.554 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000188831614 442823216 /nfs/dbraw/zinc/82/32/16/442823216.db2.gz JDVLCCMFQDGPCF-HZPDHXFCSA-N 0 0 340.383 1.745 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCc3c(nc(C(C)C)n3C)C2)n(C)n1 ZINC000182800091 442827291 /nfs/dbraw/zinc/82/72/91/442827291.db2.gz YVQIGJDAFYFNHK-UHFFFAOYSA-N 0 0 344.419 1.109 10 0 EDAERN CC(=O)CCc1ccc(OCCC(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188920716 442843124 /nfs/dbraw/zinc/84/31/24/442843124.db2.gz MXRVAWMEZAZPLQ-OAHLLOKOSA-N 0 0 346.427 1.714 10 0 EDAERN CN(C[C@@H](O)C(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000248549754 442899528 /nfs/dbraw/zinc/89/95/28/442899528.db2.gz GBGSICQMSGWUMK-WCQYABFASA-N 0 0 338.395 1.976 10 0 EDAERN CNC(=O)[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000248456532 442894069 /nfs/dbraw/zinc/89/40/69/442894069.db2.gz SIMBHUBQHXAUBN-VWYCJHECSA-N 0 0 337.342 1.264 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cnn(CC(C)C)c3)CCO2)[nH]1 ZINC000183207984 442903469 /nfs/dbraw/zinc/90/34/69/442903469.db2.gz OGVKBFDFJCMDOQ-ZDUSSCGKSA-N 0 0 332.408 1.433 10 0 EDAERN CC(C)n1nnnc1CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000182184133 318500529 /nfs/dbraw/zinc/50/05/29/318500529.db2.gz CCTCDRANFVUEIV-INIZCTEOSA-N 0 0 330.436 1.417 10 0 EDAERN C[C@H]1C[C@H](C(=O)NCCN2CCS(=O)(=O)CC2)CC(C)(C)C1 ZINC000183261866 442913578 /nfs/dbraw/zinc/91/35/78/442913578.db2.gz UAIGIAPRKSWJOO-KBPBESRZSA-N 0 0 330.494 1.295 10 0 EDAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000183358161 318522711 /nfs/dbraw/zinc/52/27/11/318522711.db2.gz NADWOOZVSDRMQQ-INIZCTEOSA-N 0 0 346.408 1.228 10 0 EDAERN CCc1nc(-c2ccc(C(=O)N3CC(NC(=O)C4CC4)C3)cc2)n[nH]1 ZINC000189364993 442929685 /nfs/dbraw/zinc/92/96/85/442929685.db2.gz HFDZNNAQCUPGDG-UHFFFAOYSA-N 0 0 339.399 1.385 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)O1 ZINC000184495829 318535126 /nfs/dbraw/zinc/53/51/26/318535126.db2.gz QEXKHDPXEJCHRO-HYVNUMGLSA-N 0 0 346.427 1.140 10 0 EDAERN CC(=O)CSCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000194676710 442935942 /nfs/dbraw/zinc/93/59/42/442935942.db2.gz PCGSFVKBWLIAJJ-UHFFFAOYSA-N 0 0 333.413 1.799 10 0 EDAERN O=C(CCCOCCc1ccccc1)N1CC(NC(=O)C2CC2)C1 ZINC000189392384 442939038 /nfs/dbraw/zinc/93/90/38/442939038.db2.gz QQHOIDGCWNFZII-UHFFFAOYSA-N 0 0 330.428 1.763 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000183746402 442959108 /nfs/dbraw/zinc/95/91/08/442959108.db2.gz RRCQSCHQUXRDCR-NSHDSACASA-N 0 0 345.327 1.418 10 0 EDAERN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@H](CO)[C@H](O)C1 ZINC000192620228 318578687 /nfs/dbraw/zinc/57/86/87/318578687.db2.gz AKWZWFOXFYFHLN-PSASIEDQSA-N 0 0 342.804 1.872 10 0 EDAERN C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)C1 ZINC000249461658 442975864 /nfs/dbraw/zinc/97/58/64/442975864.db2.gz PCMHULJZJMATMK-VHDGCEQUSA-N 0 0 344.502 1.733 10 0 EDAERN C[C@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000195433644 443018379 /nfs/dbraw/zinc/01/83/79/443018379.db2.gz YJVYNKHGIADHOM-NSHDSACASA-N 0 0 345.490 1.780 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccn([C@H](C)COC)n2)C[C@H]1C ZINC000251856081 443019087 /nfs/dbraw/zinc/01/90/87/443019087.db2.gz RCACXEQRQTUECW-ZIAGYGMSSA-N 0 0 339.440 1.275 10 0 EDAERN CC(C)(O)c1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000184573922 443042112 /nfs/dbraw/zinc/04/21/12/443042112.db2.gz CMZYIGFODCUHSI-CQSZACIVSA-N 0 0 329.404 1.840 10 0 EDAERN Cc1cc(C)cc(C(=O)NCc2ccnc(N3CCOCC3)n2)c1 ZINC000224217572 443096901 /nfs/dbraw/zinc/09/69/01/443096901.db2.gz FFSGPRRCGWMVQZ-UHFFFAOYSA-N 0 0 326.400 1.860 10 0 EDAERN COc1cccc(C(=O)Nc2cnc(N3CCOCC3)nc2)c1OC ZINC000224249388 443098188 /nfs/dbraw/zinc/09/81/88/443098188.db2.gz VQDZWPSDSNMCRQ-UHFFFAOYSA-N 0 0 344.371 1.583 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccccn2)C12CCOCC2 ZINC000184706129 443062991 /nfs/dbraw/zinc/06/29/91/443062991.db2.gz CQOCQFOHGNKPFO-HZPDHXFCSA-N 0 0 333.432 1.898 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000184771581 443074461 /nfs/dbraw/zinc/07/44/61/443074461.db2.gz DCIGGKUTUDNRKN-DOTOQJQBSA-N 0 0 349.475 1.811 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)s1 ZINC000190590526 443143912 /nfs/dbraw/zinc/14/39/12/443143912.db2.gz XULCJFLVLQOBOL-MNOVXSKESA-N 0 0 325.434 1.872 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000184947795 443105128 /nfs/dbraw/zinc/10/51/28/443105128.db2.gz DLVICFWUHSNQAQ-GOEBONIOSA-N 0 0 335.448 1.421 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)C(=O)[O-] ZINC000185056919 443127270 /nfs/dbraw/zinc/12/72/70/443127270.db2.gz IOFJETXOTDEKLK-CQSZACIVSA-N 0 0 334.420 1.853 10 0 EDAERN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000185224118 443165001 /nfs/dbraw/zinc/16/50/01/443165001.db2.gz FROITWOTMYBBOB-GXFFZTMASA-N 0 0 338.791 1.262 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000185255365 443170919 /nfs/dbraw/zinc/17/09/19/443170919.db2.gz SXSMDLBAAWQNOI-UHFFFAOYSA-N 0 0 334.269 1.432 10 0 EDAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1 ZINC000245691924 443244523 /nfs/dbraw/zinc/24/45/23/443244523.db2.gz QATPCIVNTQOKGT-FHLIZLRMSA-N 0 0 349.450 1.756 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000185716976 443244580 /nfs/dbraw/zinc/24/45/80/443244580.db2.gz IFWLRORGYAWPPE-LRDDRELGSA-N 0 0 331.416 1.781 10 0 EDAERN C[C@H](c1ccsc1)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000185458114 443202774 /nfs/dbraw/zinc/20/27/74/443202774.db2.gz OENRROOVJMIRTD-ZBFHGGJFSA-N 0 0 337.489 1.410 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C ZINC000185757849 443251629 /nfs/dbraw/zinc/25/16/29/443251629.db2.gz ZHDOFTDKBUZRKX-CQSZACIVSA-N 0 0 343.431 1.655 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CC[C@H](O)C1)C(C)C ZINC000191171337 443252075 /nfs/dbraw/zinc/25/20/75/443252075.db2.gz JWIYCLWQXSTFBX-ZQIUZPCESA-N 0 0 348.443 1.727 10 0 EDAERN COc1ccnc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1OC ZINC000191295332 443273869 /nfs/dbraw/zinc/27/38/69/443273869.db2.gz WHSXYUBJZUAAQK-WCQYABFASA-N 0 0 334.376 1.752 10 0 EDAERN COCCN1CCN(C(=O)NCC2(OC)CCCCC2)C[C@H]1C ZINC000185924239 443284352 /nfs/dbraw/zinc/28/43/52/443284352.db2.gz AKYHUYBARJGANK-OAHLLOKOSA-N 0 0 327.469 1.698 10 0 EDAERN COc1ccccc1COC[C@H](O)CN1CC(NC(=O)C2CCC2)C1 ZINC000185935418 443287418 /nfs/dbraw/zinc/28/74/18/443287418.db2.gz LSGCXVDATIBZGJ-QGZVFWFLSA-N 0 0 348.443 1.173 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000185965978 443291264 /nfs/dbraw/zinc/29/12/64/443291264.db2.gz UIEOUPNVAQUOTI-GFCCVEGCSA-N 0 0 335.433 1.449 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCCCCCCO)C12CCOCC2 ZINC000185963832 443291736 /nfs/dbraw/zinc/29/17/36/443291736.db2.gz OKWCDTLZWYERAN-GJZGRUSLSA-N 0 0 328.453 1.813 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)NCc2cscn2)cn1 ZINC000299746060 444133329 /nfs/dbraw/zinc/13/33/29/444133329.db2.gz VBEGSOYPCBBHGY-GXTWGEPZSA-N 0 0 334.401 1.876 10 0 EDAERN CC(=O)N1CCCC[C@H]1c1ccc(C(=O)N(C)[C@H]2CCOC2)n1C ZINC000328637764 444407331 /nfs/dbraw/zinc/40/73/31/444407331.db2.gz OUAODOKDYFWHRV-HOCLYGCPSA-N 0 0 333.432 1.960 10 0 EDAERN COC(=O)[C@H](NCc1nnnn1Cc1ccccc1)c1ccccc1 ZINC000380111526 325719559 /nfs/dbraw/zinc/71/95/59/325719559.db2.gz HPSNGDVSJLTDKE-QGZVFWFLSA-N 0 0 337.383 1.725 10 0 EDAERN O=S(=O)(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ncc[n-]1 ZINC000383912887 447466112 /nfs/dbraw/zinc/46/61/12/447466112.db2.gz PNBRQYVMUVTRFO-OWCLPIDISA-N 0 0 346.456 1.599 10 0 EDAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)/C=C\c1ccc(Br)o1 ZINC000393500250 447530077 /nfs/dbraw/zinc/53/00/77/447530077.db2.gz JKKNGFCYWHWSEH-MNBGUTFSSA-N 0 0 327.178 1.839 10 0 EDAERN COc1ccc(C2(C(=O)N3C[C@H](O)[C@H](CO)C3)CC3(CCC3)C2)cc1 ZINC000575603393 447865592 /nfs/dbraw/zinc/86/55/92/447865592.db2.gz DWFNTSUSXUMATJ-YOEHRIQHSA-N 0 0 345.439 1.709 10 0 EDAERN NS(=O)(=O)Nc1cc(Br)cc(Br)c1 ZINC000575590128 447865691 /nfs/dbraw/zinc/86/56/91/447865691.db2.gz QRUXFPSRSQHHGW-UHFFFAOYSA-N 0 0 330.001 1.827 10 0 EDAERN COC(=O)Cc1cc(N)c(I)cc1[N+](=O)[O-] ZINC000575642019 447878643 /nfs/dbraw/zinc/87/86/43/447878643.db2.gz ZTZJVBBHJZDMPS-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CCC(CC)n1nc(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)cc1C ZINC000583619040 448448703 /nfs/dbraw/zinc/44/87/03/448448703.db2.gz ZGTDPZGPDOBVPU-KRWDZBQOSA-N 0 0 346.435 1.795 10 0 EDAERN CN1C(=O)C[C@@H](NCc2nc(-c3ccco3)no2)[C@@H]1c1cccnc1 ZINC000583620205 448450734 /nfs/dbraw/zinc/45/07/34/448450734.db2.gz WYAQJPFHLJHXBB-WBMJQRKESA-N 0 0 339.355 1.786 10 0 EDAERN CCN1CCN(C(=O)[C@@H](C)c2cccnc2)C[C@@H]1c1nccn1C ZINC000583621475 448451392 /nfs/dbraw/zinc/45/13/92/448451392.db2.gz QTFWMFMPGHLSII-GOEBONIOSA-N 0 0 327.432 1.824 10 0 EDAERN O=C(CCn1cnc2ccccc21)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583621372 448452331 /nfs/dbraw/zinc/45/23/31/448452331.db2.gz XYGZERUUGKKQPH-KRWDZBQOSA-N 0 0 340.387 1.055 10 0 EDAERN CC(C)n1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000583621978 448452778 /nfs/dbraw/zinc/45/27/78/448452778.db2.gz QGMRHSBMTNDDKH-GJZGRUSLSA-N 0 0 348.430 1.088 10 0 EDAERN CC(C)NC(=O)[C@@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536952816 448549061 /nfs/dbraw/zinc/54/90/61/448549061.db2.gz FCMSSZMGSQYSMQ-QGZVFWFLSA-N 0 0 341.452 1.223 10 0 EDAERN CCOC(=O)[C@@H](N)[C@@H](O)c1cccnc1NC(=O)OC(C)(C)C ZINC000536961272 448549280 /nfs/dbraw/zinc/54/92/80/448549280.db2.gz WTFYPPXJZLCWOC-QWRGUYRKSA-N 0 0 325.365 1.352 10 0 EDAERN Ic1[nH]nc2nc(N3CCOCC3)ccc12 ZINC000584619674 448586539 /nfs/dbraw/zinc/58/65/39/448586539.db2.gz KFDFMAPFZOSNSS-UHFFFAOYSA-N 0 0 330.129 1.399 10 0 EDAERN COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](CO)C(C)C)n2)cc1 ZINC000606440504 449467265 /nfs/dbraw/zinc/46/72/65/449467265.db2.gz YESNCJSWFSSQRW-INIZCTEOSA-N 0 0 345.399 1.052 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cccc4nccnc43)C[C@@H](C)O2)o1 ZINC000619287161 450446362 /nfs/dbraw/zinc/44/63/62/450446362.db2.gz PXRHANIUOYJMBB-QMTHXVAHSA-N 0 0 339.355 1.923 10 0 EDAERN NC(=O)c1ccc([C@@H]2CCc3ccccc3N2S(N)(=O)=O)cc1 ZINC000616596007 450454386 /nfs/dbraw/zinc/45/43/86/450454386.db2.gz OYSSCQSXZZPPAQ-HNNXBMFYSA-N 0 0 331.397 1.483 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC000619315168 450457372 /nfs/dbraw/zinc/45/73/72/450457372.db2.gz NFMSKGIXOHZZRY-YVEFUNNKSA-N 0 0 339.399 1.733 10 0 EDAERN Cn1cc(O[C@@H]2CN(Cc3ccccc3OC3CC3)C[C@H]2O)cn1 ZINC000625629079 450457529 /nfs/dbraw/zinc/45/75/29/450457529.db2.gz QINFSCNHYRRFDN-SJLPKXTDSA-N 0 0 329.400 1.585 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1sccc1Br ZINC000633924047 451103720 /nfs/dbraw/zinc/10/37/20/451103720.db2.gz BRAJIVJUYAZQNH-VIFPVBQESA-N 0 0 333.251 1.913 10 0 EDAERN Cc1ccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)cc1N1CCOCC1 ZINC000630356234 451129824 /nfs/dbraw/zinc/12/98/24/451129824.db2.gz NUUDMFJRCDWMNP-HIFRSBDPSA-N 0 0 331.416 1.229 10 0 EDAERN CCn1cc(O[C@@H]2CN(C(=O)c3ncoc3C3CC3)C[C@H]2O)cn1 ZINC000628250502 451195972 /nfs/dbraw/zinc/19/59/72/451195972.db2.gz SQHXPLHCWAWHBP-CHWSQXEVSA-N 0 0 332.360 1.033 10 0 EDAERN Nc1nc([C@H]2CCN(C(=O)Cc3cc(F)ccc3F)C2)cc(=O)[nH]1 ZINC000630723980 451364810 /nfs/dbraw/zinc/36/48/10/451364810.db2.gz ROCAKFQBRSVZPD-VIFPVBQESA-N 0 0 334.326 1.601 10 0 EDAERN CN1CCS(=O)(=O)C[C@H]1CC(=O)NC(C)(C)c1ccccc1F ZINC000644487588 451804913 /nfs/dbraw/zinc/80/49/13/451804913.db2.gz LGGHDRJBYWVXFQ-GFCCVEGCSA-N 0 0 342.436 1.296 10 0 EDAERN Cc1cc(S(=O)(=O)NC2CC(CO)C2)sc1Br ZINC000660147127 453078784 /nfs/dbraw/zinc/07/87/84/453078784.db2.gz QPVVUDKZPZNDQY-UHFFFAOYSA-N 0 0 340.264 1.868 10 0 EDAERN Cc1oc2ccccc2c1C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671604837 486663511 /nfs/dbraw/zinc/66/35/11/486663511.db2.gz KSEWXXAILIEQJY-KRWDZBQOSA-N 0 0 326.356 1.610 10 0 EDAERN COc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000074775073 486798382 /nfs/dbraw/zinc/79/83/82/486798382.db2.gz GCWLPAXOLDVEJP-HNNXBMFYSA-N 0 0 342.461 1.263 10 0 EDAERN C[C@H]1CCC[N@@H+]([C@H](c2ccc(F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)C1 ZINC000105838931 487223362 /nfs/dbraw/zinc/22/33/62/487223362.db2.gz VHXHWZXCYQCQHS-IINYFYTJSA-N 0 0 333.363 1.729 10 0 EDAERN CC[C@@H](C)CN1c2ccc(NS(=O)(=O)N(C)C)cc2CC1=O ZINC000584648190 485899842 /nfs/dbraw/zinc/89/98/42/485899842.db2.gz WFPNSCNHDFWZMH-LLVKDONJSA-N 0 0 325.434 1.840 10 0 EDAERN CC[C@@H](CC1CCCCC1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132629748 491216710 /nfs/dbraw/zinc/21/67/10/491216710.db2.gz NGCJSGLZRRZXDA-IRXDYDNUSA-N 0 0 326.481 1.792 10 0 EDAERN COC[C@@H]1CN(S(=O)(=O)c2ccccc2F)CC12CCOCC2 ZINC000075874108 491016454 /nfs/dbraw/zinc/01/64/54/491016454.db2.gz KGSYZOBASNLKEJ-ZDUSSCGKSA-N 0 0 343.420 1.889 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000154108436 533740367 /nfs/dbraw/zinc/74/03/67/533740367.db2.gz ANGNXVZDYSZOJX-ZHAHWJHGSA-N 0 0 326.780 1.852 10 0 EDAERN C[C@@H](CNC(=O)c1cc(COC(C)(C)C)on1)N1CCOCC1 ZINC000183946707 534030745 /nfs/dbraw/zinc/03/07/45/534030745.db2.gz WWJOBKYRYPDPIM-LBPRGKRZSA-N 0 0 325.409 1.440 10 0 EDAERN NC(=O)CONCc1cc(Br)ccc1OC(F)F ZINC000169119977 534332369 /nfs/dbraw/zinc/33/23/69/534332369.db2.gz UDFOTGDDSQZHGZ-UHFFFAOYSA-N 0 0 325.109 1.557 10 0 EDAERN NC(=O)c1ccc(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)o1 ZINC000187415714 534483288 /nfs/dbraw/zinc/48/32/88/534483288.db2.gz JOTYHHARYRSDNT-AAEUAGOBSA-N 0 0 349.412 1.358 10 0 EDAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000247176090 534894738 /nfs/dbraw/zinc/89/47/38/534894738.db2.gz NHCYMPANIHANOF-SJORKVTESA-N 0 0 344.415 1.558 10 0 EDAERN CC(C)(C)OC(=O)CNC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000181900790 526368116 /nfs/dbraw/zinc/36/81/16/526368116.db2.gz VMMWBZRAIVWDKW-AWEZNQCLSA-N 0 0 348.447 1.273 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000105283312 536435725 /nfs/dbraw/zinc/43/57/25/536435725.db2.gz YVXXDHVGQWRXSI-LURJTMIESA-N 0 0 325.316 1.009 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000190231928 526708488 /nfs/dbraw/zinc/70/84/88/526708488.db2.gz PEMSLQNDQHRETA-UHFFFAOYSA-N 0 0 347.749 1.971 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C1 ZINC000190516050 526712910 /nfs/dbraw/zinc/71/29/10/526712910.db2.gz UBJWBEJISDMBDP-GDBMZVCRSA-N 0 0 349.818 1.206 10 0 EDAERN CC(C)(O)CCn1cnc(Cl)c(I)c1=O ZINC000166345617 527330950 /nfs/dbraw/zinc/33/09/50/527330950.db2.gz QYXNXEXYELMPSU-UHFFFAOYSA-N 0 0 342.564 1.662 10 0 EDAERN CC(C)(C)C(=O)NCCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187678253 527586527 /nfs/dbraw/zinc/58/65/27/527586527.db2.gz OUEQCASDVBWVLP-KBPBESRZSA-N 0 0 338.473 1.835 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCCc2cccnc2)C12CCOCC2 ZINC000185512638 528087001 /nfs/dbraw/zinc/08/70/01/528087001.db2.gz ZQZGYJQDQFBFBH-CVEARBPZSA-N 0 0 333.432 1.898 10 0 EDAERN CC(C)COCCNS(=O)(=O)Cc1ccccc1C(N)=S ZINC000167399982 528096697 /nfs/dbraw/zinc/09/66/97/528096697.db2.gz MEUWFWNOZGAAII-UHFFFAOYSA-N 0 0 330.475 1.413 10 0 EDAERN CCO[C@H]1C[C@@](NCc2nnnn2C(C)C)(C(=O)OC)C1(C)C ZINC000189840334 528121779 /nfs/dbraw/zinc/12/17/79/528121779.db2.gz HEZAVAZMMCFAOW-XHDPSFHLSA-N 0 0 325.413 1.090 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)CC2 ZINC000175131578 528334677 /nfs/dbraw/zinc/33/46/77/528334677.db2.gz SHNWBPBGEWVIGB-SJCJKPOMSA-N 0 0 347.419 1.516 10 0 EDAERN CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168876453 528363395 /nfs/dbraw/zinc/36/33/95/528363395.db2.gz NYMWHXLXVGDVMS-CABZTGNLSA-N 0 0 340.221 1.860 10 0 EDAERN CCCNC(=O)CS(=O)(=O)c1cc(Br)ccc1N ZINC000167154634 528406315 /nfs/dbraw/zinc/40/63/15/528406315.db2.gz IGAUVCKDKIMMAQ-UHFFFAOYSA-N 0 0 335.223 1.331 10 0 EDAERN CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168906954 528413201 /nfs/dbraw/zinc/41/32/01/528413201.db2.gz BZCLVGQJIOKUOT-LBPRGKRZSA-N 0 0 340.221 1.717 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000184376542 528475541 /nfs/dbraw/zinc/47/55/41/528475541.db2.gz NAEJVIGGXYSASR-GOSISDBHSA-N 0 0 347.459 1.805 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190135608 528678353 /nfs/dbraw/zinc/67/83/53/528678353.db2.gz SJPNZXUBYSWTNF-CYBMUJFWSA-N 0 0 330.392 1.879 10 0 EDAERN CCCOc1cccc(CCNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187638921 528745110 /nfs/dbraw/zinc/74/51/10/528745110.db2.gz HXEPIZINJHVTBR-UHFFFAOYSA-N 0 0 345.443 1.938 10 0 EDAERN CCCCc1noc([C@@H](C)S(=O)(=O)Cc2nnnn2C(C)C)n1 ZINC000195426394 535124969 /nfs/dbraw/zinc/12/49/69/535124969.db2.gz UWGGBWFUNPZADX-SNVBAGLBSA-N 0 0 342.425 1.656 10 0 EDAERN CC(C)C(=O)N1CCCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000329120403 535373962 /nfs/dbraw/zinc/37/39/62/535373962.db2.gz VRWGRCSZVUFTKE-UHFFFAOYSA-N 0 0 345.399 1.998 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)c1ccc(Cl)cc1 ZINC000194758098 535480431 /nfs/dbraw/zinc/48/04/31/535480431.db2.gz WLFBIOMINAYJEK-JSGCOSHPSA-N 0 0 338.791 1.681 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@H](C)C(=O)NC ZINC000246260074 535865447 /nfs/dbraw/zinc/86/54/47/535865447.db2.gz URCAFRMIYCBOPS-OFQRWUPVSA-N 0 0 347.459 1.672 10 0 EDAERN CCn1cc(CN2CCCN(S(=O)(=O)CCC(C)C)CC2)cn1 ZINC000112707554 536054227 /nfs/dbraw/zinc/05/42/27/536054227.db2.gz WSMCIOHLCKGYGT-UHFFFAOYSA-N 0 0 342.509 1.787 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)c1ccc(C)cc1)CC2 ZINC000114976482 536164509 /nfs/dbraw/zinc/16/45/09/536164509.db2.gz DGCKYRHIJIPARE-CABCVRRESA-N 0 0 343.431 1.497 10 0 EDAERN COCCCOc1cccc(C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000172826443 536624009 /nfs/dbraw/zinc/62/40/09/536624009.db2.gz RKVZMRXLNBAGIC-MRXNPFEDSA-N 0 0 334.416 1.843 10 0 EDAERN COc1cccc(C(=O)NCC(=O)N[C@H]2COc3ccccc32)c1 ZINC000195116601 537084412 /nfs/dbraw/zinc/08/44/12/537084412.db2.gz QFNPUFNWNHNQDU-HNNXBMFYSA-N 0 0 326.352 1.675 10 0 EDAERN Cc1c([C@H]2CN(C(=O)c3c(F)cccc3F)C[C@@H]2C(N)=O)cnn1C ZINC000888079116 590936142 /nfs/dbraw/zinc/93/61/42/590936142.db2.gz AKBHXABOUVGGPR-NEPJUHHUSA-N 0 0 348.353 1.348 10 0 EDAERN Cn1cc([C@@H]2CCCN2c2nc(Cl)ccc2S(N)(=O)=O)cn1 ZINC000892325426 590946196 /nfs/dbraw/zinc/94/61/96/590946196.db2.gz HZPCWXHXGSIHRD-JTQLQIEISA-N 0 0 341.824 1.457 10 0 EDAERN Cc1c(Cl)cncc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093798 591023117 /nfs/dbraw/zinc/02/31/17/591023117.db2.gz SWSORQWRYYSZNV-UONOGXRCSA-N 0 0 336.779 1.353 10 0 EDAERN Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)o1 ZINC000888099395 591028711 /nfs/dbraw/zinc/02/87/11/591028711.db2.gz XKMCUFCHSUFDPE-CHWSQXEVSA-N 0 0 347.419 1.255 10 0 EDAERN CN(C)c1nc([C@H]2CCN(c3nccn(C4CC4)c3=O)C2)cc(=O)[nH]1 ZINC000888098363 591029217 /nfs/dbraw/zinc/02/92/17/591029217.db2.gz GRRCVXPWVXUUAS-NSHDSACASA-N 0 0 342.403 1.134 10 0 EDAERN CCN1C(=O)CC[C@H](CNC(=O)c2cc(C)no2)[C@H]1c1cnn(C)c1 ZINC000888102679 591030643 /nfs/dbraw/zinc/03/06/43/591030643.db2.gz FONUPTGIPSZBSR-WBMJQRKESA-N 0 0 345.403 1.446 10 0 EDAERN O=C(c1cccc(F)c1)N1NC(=O)C[C@@]12CCN(Cc1ccon1)C2 ZINC000888103357 591031533 /nfs/dbraw/zinc/03/15/33/591031533.db2.gz DTIYEPLGLVDQBJ-QGZVFWFLSA-N 0 0 344.346 1.336 10 0 EDAERN CC(C)[C@H]1OCC[C@@H]1CNc1nc2ccccc2c(=O)n1CCO ZINC000892823105 591194718 /nfs/dbraw/zinc/19/47/18/591194718.db2.gz KTIINRNNQNNCLL-CZUORRHYSA-N 0 0 331.416 1.862 10 0 EDAERN C[C@H](O)c1cccc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)n1 ZINC000894306299 591273028 /nfs/dbraw/zinc/27/30/28/591273028.db2.gz XMAJQDAYUWDTMM-SGTLLEGYSA-N 0 0 344.415 1.969 10 0 EDAERN CCOC(=O)c1sc2ncnc(N3CCOC[C@@H]3CO)c2c1C ZINC000895936260 591308439 /nfs/dbraw/zinc/30/84/39/591308439.db2.gz SAFJBNXLIJWRJS-JTQLQIEISA-N 0 0 337.401 1.374 10 0 EDAERN O=C(c1cc2c(cc1O)OCO2)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899076283 591674136 /nfs/dbraw/zinc/67/41/36/591674136.db2.gz NNEMRIVWLPBPMP-LLVKDONJSA-N 0 0 342.355 1.677 10 0 EDAERN CNC(=O)c1nc(C2CC[NH+]([C@H](C)c3cnc(C)cn3)CC2)n[n-]1 ZINC000818240306 593686716 /nfs/dbraw/zinc/68/67/16/593686716.db2.gz MJDOVDUMOOWIAY-LLVKDONJSA-N 0 0 329.408 1.203 10 0 EDAERN CC(=O)N[C@H]1CCCN(CN2c3cccc(Cl)c3C(=O)C2=O)C1 ZINC000101535865 595164943 /nfs/dbraw/zinc/16/49/43/595164943.db2.gz BBBLKBPOAMWELV-NSHDSACASA-N 0 0 335.791 1.427 10 0 EDAERN CC(C)n1nnnc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820618 595466855 /nfs/dbraw/zinc/46/68/55/595466855.db2.gz MZCWBUIARLQHCO-MRXNPFEDSA-N 0 0 330.436 1.105 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H]1C ZINC000117278704 595605064 /nfs/dbraw/zinc/60/50/64/595605064.db2.gz QWURFSCZCPTRCZ-HNNXBMFYSA-N 0 0 343.431 1.450 10 0 EDAERN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)[C@@H]1CNC(=O)C1 ZINC000113126963 595624585 /nfs/dbraw/zinc/62/45/85/595624585.db2.gz PKSSGWPMSPWZAR-VIFPVBQESA-N 0 0 332.747 1.997 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000112304539 596103881 /nfs/dbraw/zinc/10/38/81/596103881.db2.gz OBVWMJRTBXWUSF-MYODQAERSA-N 0 0 339.461 1.860 10 0 EDAERN Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)CC4=CCCCC4)C3)C2)n1 ZINC000864678424 596305172 /nfs/dbraw/zinc/30/51/72/596305172.db2.gz JXLNRGQLNMVKFG-CQSZACIVSA-N 0 0 344.415 1.795 10 0 EDAERN CN1C(=O)C[C@H](C(=O)OCCn2cncn2)[C@@H]1c1ccc(F)cc1 ZINC000119000845 596374102 /nfs/dbraw/zinc/37/41/02/596374102.db2.gz TYSUXSCJAFIYQQ-ZFWWWQNUSA-N 0 0 332.335 1.180 10 0 EDAERN CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000131118085 597669654 /nfs/dbraw/zinc/66/96/54/597669654.db2.gz SSEBRNZCOWPXFT-STQMWFEESA-N 0 0 348.476 1.810 10 0 EDAERN O=C(c1cc(Cl)ncc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000129313404 597775035 /nfs/dbraw/zinc/77/50/35/597775035.db2.gz HEDURZOFBVREQZ-SNVBAGLBSA-N 0 0 330.215 1.935 10 0 EDAERN C[C@H](O)c1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000128754409 598049190 /nfs/dbraw/zinc/04/91/90/598049190.db2.gz HWJFQRLAVCEUOM-ZDUSSCGKSA-N 0 0 332.379 1.424 10 0 EDAERN C[C@H](NC(=O)/C=C/c1ccncn1)c1ccc(S(C)(=O)=O)cc1 ZINC000181849858 700102369 /nfs/dbraw/zinc/10/23/69/700102369.db2.gz VZCNBQKJFSQNHN-ZCRIDZFUSA-N 0 0 331.397 1.771 10 0 EDAERN C[C@@H](NC(=O)/C=C/c1ccncn1)c1ccc(S(C)(=O)=O)cc1 ZINC000181849881 700102643 /nfs/dbraw/zinc/10/26/43/700102643.db2.gz VZCNBQKJFSQNHN-FZKGZDJFSA-N 0 0 331.397 1.771 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000184889084 698575152 /nfs/dbraw/zinc/57/51/52/698575152.db2.gz UPRPJEURJPDGFH-ZDUSSCGKSA-N 0 0 326.828 1.333 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(C)(C)C#N ZINC000180116849 698592223 /nfs/dbraw/zinc/59/22/23/698592223.db2.gz HHJMFYJGKDAKLY-SNVBAGLBSA-N 0 0 328.365 1.585 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCc2ccnn2C)C1 ZINC000185016441 698835577 /nfs/dbraw/zinc/83/55/77/698835577.db2.gz SQNUHKKPJCIIFR-HNNXBMFYSA-N 0 0 330.436 1.768 10 0 EDAERN Cc1nn(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000183344879 701594039 /nfs/dbraw/zinc/59/40/39/701594039.db2.gz LFKMCZKDZPBYNG-QGZVFWFLSA-N 0 0 345.403 1.408 10 0 EDAERN CCOCCONC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000186020662 701157368 /nfs/dbraw/zinc/15/73/68/701157368.db2.gz WXPYYDWJLKYKTR-BXUZGUMPSA-N 0 0 330.331 1.750 10 0 EDAERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NCC(=O)NCC1CC1 ZINC000183793027 702622126 /nfs/dbraw/zinc/62/21/26/702622126.db2.gz UFRIWWFFOHZXBX-MRXNPFEDSA-N 0 0 333.432 1.586 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)C(C)C ZINC000178860328 290604109 /nfs/dbraw/zinc/60/41/09/290604109.db2.gz FIQZWDJEPLVAHB-GXTWGEPZSA-N 0 0 335.404 1.161 10 0 EDAERN CNC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000006807994 201699674 /nfs/dbraw/zinc/69/96/74/201699674.db2.gz XBJHXONCDZPFLM-UHFFFAOYSA-N 0 0 342.374 1.748 10 0 EDAERN NS(=O)(=O)CCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000052357043 214127563 /nfs/dbraw/zinc/12/75/63/214127563.db2.gz APWOSIXBPIIFPO-UHFFFAOYSA-N 0 0 328.397 1.997 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000081579398 282105194 /nfs/dbraw/zinc/10/51/94/282105194.db2.gz FJENGAAHDKLIGQ-CYBMUJFWSA-N 0 0 341.350 1.571 10 0 EDAERN COc1ccc(NC(=O)CN2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173685003 231005794 /nfs/dbraw/zinc/00/57/94/231005794.db2.gz XPEBDXGXHLNKQN-AWEZNQCLSA-N 0 0 331.376 1.134 10 0 EDAERN CS(=O)(=O)c1ccc(F)c(NC(=O)Cc2csc(N)n2)c1 ZINC000055272056 214298889 /nfs/dbraw/zinc/29/88/89/214298889.db2.gz TXGKCPCVUJRUJI-UHFFFAOYSA-N 0 0 329.378 1.449 10 0 EDAERN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173697993 231009033 /nfs/dbraw/zinc/00/90/33/231009033.db2.gz XLZJOLZELPHQCY-LLVKDONJSA-N 0 0 335.314 1.359 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc(C)ccc3F)CCO2)[nH]1 ZINC000173733674 231017700 /nfs/dbraw/zinc/01/77/00/231017700.db2.gz OPOOULSFPCEPEL-LBPRGKRZSA-N 0 0 340.380 1.323 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000173734466 231018128 /nfs/dbraw/zinc/01/81/28/231018128.db2.gz XNGIKYDKALQPQZ-CQSZACIVSA-N 0 0 336.417 1.492 10 0 EDAERN CC[C@@]1(C)C(=O)N[C@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168880012 529521733 /nfs/dbraw/zinc/52/17/33/529521733.db2.gz IWCNYTDVFOZLEJ-OTYXRUKQSA-N 0 0 340.221 1.860 10 0 EDAERN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000183440514 282245360 /nfs/dbraw/zinc/24/53/60/282245360.db2.gz LPDKOOFPFPZDBY-XJKSGUPXSA-N 0 0 342.399 1.803 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N3CCc4ccccc43)CCO2)[nH]1 ZINC000177885541 529700977 /nfs/dbraw/zinc/70/09/77/529700977.db2.gz WXOPSOGRIABGHT-CQSZACIVSA-N 0 0 327.388 1.923 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000174673893 529941218 /nfs/dbraw/zinc/94/12/18/529941218.db2.gz SKQBQZJXNVORCB-CQSZACIVSA-N 0 0 328.376 1.507 10 0 EDAERN COc1cccc(CCNC(=O)N2C[C@@H](F)C[C@H]2CO)c1OC ZINC000671553812 486650590 /nfs/dbraw/zinc/65/05/90/486650590.db2.gz CWFKKERBYLAMPW-STQMWFEESA-N 0 0 326.368 1.361 10 0 EDAERN O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)N1CCCCC1 ZINC000012879860 201873009 /nfs/dbraw/zinc/87/30/09/201873009.db2.gz NJUGGEBUTQKOHI-UHFFFAOYSA-N 0 0 346.412 1.639 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H](C)O1 ZINC000037555229 290877591 /nfs/dbraw/zinc/87/75/91/290877591.db2.gz FMDALPQMEAHLHT-UWVGGRQHSA-N 0 0 329.809 1.786 10 0 EDAERN C[C@@H](O)c1cn(CC2CCN(C(=O)Cc3ccncc3)CC2)nn1 ZINC000019842138 202023644 /nfs/dbraw/zinc/02/36/44/202023644.db2.gz UTPAIOZFCZTUSN-CYBMUJFWSA-N 0 0 329.404 1.208 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)cc1CC ZINC000180170609 540120681 /nfs/dbraw/zinc/12/06/81/540120681.db2.gz JVJPNITWWNGQOB-OAHLLOKOSA-N 0 0 331.416 1.487 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1cccs1 ZINC000181002583 540123203 /nfs/dbraw/zinc/12/32/03/540123203.db2.gz GNMUKVUWLJARNA-JTQLQIEISA-N 0 0 341.458 1.828 10 0 EDAERN CCc1cnccc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182496446 540132977 /nfs/dbraw/zinc/13/29/77/540132977.db2.gz OXOBEVBGKBDHHY-LLVKDONJSA-N 0 0 333.413 1.782 10 0 EDAERN CC(C)c1ccnc(N2CCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)n1 ZINC000184383399 540143130 /nfs/dbraw/zinc/14/31/30/540143130.db2.gz FMJOMAJJZIYWHU-GDBMZVCRSA-N 0 0 347.463 1.999 10 0 EDAERN C[C@H](CNC(=O)c1ncc(Br)s1)N1CCOCC1 ZINC000189054202 540162789 /nfs/dbraw/zinc/16/27/89/540162789.db2.gz HECWXJNEKZSJAP-MRVPVSSYSA-N 0 0 334.239 1.356 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000187847313 540156392 /nfs/dbraw/zinc/15/63/92/540156392.db2.gz FPAQQAUPEGNWBN-JKSUJKDBSA-N 0 0 342.399 1.539 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000191045788 540173422 /nfs/dbraw/zinc/17/34/22/540173422.db2.gz OCJSUCKDWSEMAS-KGLIPLIRSA-N 0 0 349.435 1.434 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3coc(C4CCC4)n3)CC2)no1 ZINC000192554586 540179670 /nfs/dbraw/zinc/17/96/70/540179670.db2.gz MKMJYCSHRAISGP-UHFFFAOYSA-N 0 0 345.403 1.982 10 0 EDAERN O=C(Nc1cc(C(F)(F)F)ccn1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000193449052 540182856 /nfs/dbraw/zinc/18/28/56/540182856.db2.gz BKZWOPOIXXDENO-KOLCDFICSA-N 0 0 345.321 1.706 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000184396599 235387546 /nfs/dbraw/zinc/38/75/46/235387546.db2.gz BROPTZRDWWGSPJ-LBPRGKRZSA-N 0 0 335.408 1.405 10 0 EDAERN C[C@H]1C[C@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC(C)(C)C1 ZINC000184061459 291101527 /nfs/dbraw/zinc/10/15/27/291101527.db2.gz FIYLUOYUQJVUDJ-STQMWFEESA-N 0 0 335.448 1.992 10 0 EDAERN COc1ccc(CCNS(=O)(=O)c2sc(=O)[nH]c2C)cc1 ZINC000037859139 202045284 /nfs/dbraw/zinc/04/52/84/202045284.db2.gz ICZSNXPTGLVPQD-UHFFFAOYSA-N 0 0 328.415 1.274 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NCc1ccccn1 ZINC000037928946 202065302 /nfs/dbraw/zinc/06/53/02/202065302.db2.gz DIDOMRUZKVHHEI-UHFFFAOYSA-N 0 0 342.218 1.905 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)C(C)C)cc1 ZINC000021871701 202073367 /nfs/dbraw/zinc/07/33/67/202073367.db2.gz QOAUCATXOKXWSR-LBPRGKRZSA-N 0 0 340.445 1.718 10 0 EDAERN CS(=O)(=O)Cc1nc(CN2CCO[C@H]3CCCC[C@@H]32)cs1 ZINC000075640119 138243774 /nfs/dbraw/zinc/24/37/74/138243774.db2.gz NSKFXFRVICFACP-STQMWFEESA-N 0 0 330.475 1.831 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)NC1CCCCC1 ZINC000082977837 138268178 /nfs/dbraw/zinc/26/81/78/138268178.db2.gz IAGPGRQPKZSTJW-ZDUSSCGKSA-N 0 0 334.424 1.170 10 0 EDAERN C[C@@H](NC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000078869760 138259332 /nfs/dbraw/zinc/25/93/32/138259332.db2.gz RYMXBWZWCPGRCG-NMWPEEMBSA-N 0 0 326.437 1.524 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000091778858 138284851 /nfs/dbraw/zinc/28/48/51/138284851.db2.gz SAUZGVVKAPZWED-LBPRGKRZSA-N 0 0 349.387 1.199 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000091783785 138285061 /nfs/dbraw/zinc/28/50/61/138285061.db2.gz LBFKGXOBNJWEDZ-INIZCTEOSA-N 0 0 332.400 1.724 10 0 EDAERN Cc1nccn1-c1ncccc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000098099232 138297696 /nfs/dbraw/zinc/29/76/96/138297696.db2.gz FZYOPJYZFPOZHX-NSHDSACASA-N 0 0 339.355 1.926 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 ZINC000093216037 138292766 /nfs/dbraw/zinc/29/27/66/138292766.db2.gz UWVANSDTBASUQC-OAHLLOKOSA-N 0 0 326.400 1.828 10 0 EDAERN CCCc1cc(N2CCC(Nc3cccnn3)CC2)n2ncnc2n1 ZINC000105790226 138301815 /nfs/dbraw/zinc/30/18/15/138301815.db2.gz VTBWYBCKWRRUSR-UHFFFAOYSA-N 0 0 338.419 1.948 10 0 EDAERN Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(=O)n4[n-]ccc4n3)C2)no1 ZINC000108858404 138305498 /nfs/dbraw/zinc/30/54/98/138305498.db2.gz CIUPQZICOPQMGP-LBPRGKRZSA-N 0 0 328.376 1.169 10 0 EDAERN Cc1csc([C@@H]2CN(CC(=O)NCc3cccnc3)CCO2)n1 ZINC000111211901 138307932 /nfs/dbraw/zinc/30/79/32/138307932.db2.gz UTOCNNKYBWPQOH-AWEZNQCLSA-N 0 0 332.429 1.536 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)CC2 ZINC000114976907 138311151 /nfs/dbraw/zinc/31/11/51/138311151.db2.gz QTMRWOCIXRIFIS-UONOGXRCSA-N 0 0 347.394 1.327 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000124064297 138323548 /nfs/dbraw/zinc/32/35/48/138323548.db2.gz VXLHOOOUKAFRJJ-UHFFFAOYSA-N 0 0 349.479 1.953 10 0 EDAERN COCCC1(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)CCC1 ZINC000124312441 138325732 /nfs/dbraw/zinc/32/57/32/138325732.db2.gz NQJGDDSGAAEUEX-OAHLLOKOSA-N 0 0 325.453 1.309 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CS(=O)(=O)C(C)(C)C)C2)no1 ZINC000125014384 138331478 /nfs/dbraw/zinc/33/14/78/138331478.db2.gz KOKZOXLXFYHMEN-LBPRGKRZSA-N 0 0 343.449 1.372 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)O1 ZINC000130713760 138345869 /nfs/dbraw/zinc/34/58/69/138345869.db2.gz FUNJWXFFVWPKNQ-RHSMWYFYSA-N 0 0 335.423 1.631 10 0 EDAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000130852706 138348244 /nfs/dbraw/zinc/34/82/44/138348244.db2.gz KMHJIOCWBYGSLM-UKRRQHHQSA-N 0 0 336.436 1.503 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)o1 ZINC000029459235 202186545 /nfs/dbraw/zinc/18/65/45/202186545.db2.gz DOJWAMBXSSEVEY-SNVBAGLBSA-N 0 0 342.355 1.025 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135271605 138421779 /nfs/dbraw/zinc/42/17/79/138421779.db2.gz RWQOHNFORBRZFC-GHMZBOCLSA-N 0 0 331.376 1.203 10 0 EDAERN O=C(CCc1nc(C2CCCC2)no1)N1CC[C@H](N2CCOCC2)C1 ZINC000135534495 138426104 /nfs/dbraw/zinc/42/61/04/138426104.db2.gz RBYOJTHKHXKKIB-HNNXBMFYSA-N 0 0 348.447 1.593 10 0 EDAERN O=S(=O)(N[C@H]1COc2ccccc21)c1cnn(CC(F)F)c1 ZINC000186807055 236027281 /nfs/dbraw/zinc/02/72/81/236027281.db2.gz HRZDESTXFPFULS-NSHDSACASA-N 0 0 329.328 1.560 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187523348 236235118 /nfs/dbraw/zinc/23/51/18/236235118.db2.gz KCYLNHXSWGSKOW-LBPRGKRZSA-N 0 0 340.326 1.901 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1)C1CC1 ZINC000187819617 236309423 /nfs/dbraw/zinc/30/94/23/236309423.db2.gz LXGIAKLUJFOXSX-NVXWUHKLSA-N 0 0 343.427 1.827 10 0 EDAERN CC(C)(C)c1ccc(NC(=O)CSc2nncc(=O)n2N)cc1 ZINC000032521079 202226558 /nfs/dbraw/zinc/22/65/58/202226558.db2.gz XEWVKKLRBNHYEB-UHFFFAOYSA-N 0 0 333.417 1.380 10 0 EDAERN O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1ccc2c(c1)OCO2 ZINC000032522566 202226875 /nfs/dbraw/zinc/22/68/75/202226875.db2.gz OWSUWMZLMFQPBH-UHFFFAOYSA-N 0 0 345.380 1.718 10 0 EDAERN OCCCNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000032604869 202228848 /nfs/dbraw/zinc/22/88/48/202228848.db2.gz MVPVKXVFEDZPSL-UHFFFAOYSA-N 0 0 330.392 1.246 10 0 EDAERN O=C(Cc1ccc(OC(F)F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748316 138666935 /nfs/dbraw/zinc/66/69/35/138666935.db2.gz OURYWYLGNJLGSH-CQSZACIVSA-N 0 0 340.370 1.764 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(C)(C)C[C@H](C)O)CC2 ZINC000175126450 138691881 /nfs/dbraw/zinc/69/18/81/138691881.db2.gz IATNPQSEBXNIAQ-STQMWFEESA-N 0 0 337.468 1.813 10 0 EDAERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000178714128 138744747 /nfs/dbraw/zinc/74/47/47/138744747.db2.gz XRQFWZQPHDVUHW-JKSUJKDBSA-N 0 0 343.431 1.666 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000181615762 138770000 /nfs/dbraw/zinc/77/00/00/138770000.db2.gz JCUYRSSDCLOYNW-GDBMZVCRSA-N 0 0 345.443 1.902 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H](O)C1 ZINC000035611995 202306597 /nfs/dbraw/zinc/30/65/97/202306597.db2.gz OOYFFJIGOCNTKS-VIFPVBQESA-N 0 0 335.223 1.177 10 0 EDAERN CCOC(=O)c1cc(C)sc1NC(=O)CCSCC(N)=O ZINC000070155093 202309186 /nfs/dbraw/zinc/30/91/86/202309186.db2.gz FBJRXAFKCNLFJB-UHFFFAOYSA-N 0 0 330.431 1.780 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)OCC2(C)C)cc1 ZINC000036102797 202315673 /nfs/dbraw/zinc/31/56/73/202315673.db2.gz LPSUCGAOXWQTCZ-NSHDSACASA-N 0 0 326.418 1.833 10 0 EDAERN CC(C)N(CCO)S(=O)(=O)c1ccc(N)cc1Br ZINC000036131139 202317400 /nfs/dbraw/zinc/31/74/00/202317400.db2.gz JIBVFKAERMUZKX-UHFFFAOYSA-N 0 0 337.239 1.423 10 0 EDAERN Cc1ccc(CNS(=O)(=O)c2cccc(F)c2C(N)=S)o1 ZINC000070395388 202332988 /nfs/dbraw/zinc/33/29/88/202332988.db2.gz XKPQHTVRHPSKRX-UHFFFAOYSA-N 0 0 328.390 1.840 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N1CCOC(C)(C)C1 ZINC000070431496 202334930 /nfs/dbraw/zinc/33/49/30/202334930.db2.gz UANMWBUVWWMLMD-UHFFFAOYSA-N 0 0 328.459 1.429 10 0 EDAERN Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cnccc1Cl ZINC000071204097 202340045 /nfs/dbraw/zinc/34/00/45/202340045.db2.gz FQXHKWWANKXGFC-NSHDSACASA-N 0 0 326.809 1.824 10 0 EDAERN NC(=S)c1cc(S(=O)(=O)NCC[C@@H]2CCCO2)ccc1F ZINC000071247674 202343097 /nfs/dbraw/zinc/34/30/97/202343097.db2.gz QGSGJOPOQBRKEY-VIFPVBQESA-N 0 0 332.422 1.307 10 0 EDAERN CN(Cc1cc(Br)cs1)C(=O)C1=NNC(=O)CC1 ZINC000037506012 202343432 /nfs/dbraw/zinc/34/34/32/202343432.db2.gz PURSIWATRNCICM-UHFFFAOYSA-N 0 0 330.207 1.735 10 0 EDAERN CCOc1ccc(OCC(=O)N(CCOC)CCC(=O)OC)cc1 ZINC000071632859 202354102 /nfs/dbraw/zinc/35/41/02/202354102.db2.gz OJGKSRQVVGXJNX-UHFFFAOYSA-N 0 0 339.388 1.502 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000183883063 138789303 /nfs/dbraw/zinc/78/93/03/138789303.db2.gz LWOFMCGJVRITDD-CQSZACIVSA-N 0 0 341.481 1.454 10 0 EDAERN COc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)nn2C)cc1 ZINC000041211449 202477691 /nfs/dbraw/zinc/47/76/91/202477691.db2.gz PBFGLZNUPRKKHV-LBPRGKRZSA-N 0 0 349.412 1.013 10 0 EDAERN COc1cc(C)c(C)cc1S(=O)(=O)NCCC1(C)OCCO1 ZINC000041351210 202480853 /nfs/dbraw/zinc/48/08/53/202480853.db2.gz UTWIIAIAERPVPO-UHFFFAOYSA-N 0 0 329.418 1.743 10 0 EDAERN Cc1n[nH]c(C)c1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000041572089 202484247 /nfs/dbraw/zinc/48/42/47/202484247.db2.gz UYYYFOMGYHTODJ-UHFFFAOYSA-N 0 0 336.417 1.207 10 0 EDAERN NC(=O)[C@]1(O)CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000225481867 201034590 /nfs/dbraw/zinc/03/45/90/201034590.db2.gz AKXNBMCFQJOFJV-AWEZNQCLSA-N 0 0 332.322 1.396 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(c3ccccc3)=NO1)CC2 ZINC000114869739 201071486 /nfs/dbraw/zinc/07/14/86/201071486.db2.gz WVNPJLJTMAORIP-DZGCQCFKSA-N 0 0 339.399 1.465 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1ccccc1C(C)(C)C)N1CCOCC1 ZINC000041600994 201094589 /nfs/dbraw/zinc/09/45/89/201094589.db2.gz ICLKERRTAVYOHQ-CQSZACIVSA-N 0 0 347.459 1.760 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000044249656 201102267 /nfs/dbraw/zinc/10/22/67/201102267.db2.gz DWATZKJLLIVRCL-ZDUSSCGKSA-N 0 0 333.413 1.685 10 0 EDAERN CSc1cccc(NC[C@@H]2CCS(=O)(=O)C2)c1C(N)=S ZINC000136797505 201134510 /nfs/dbraw/zinc/13/45/10/201134510.db2.gz IHPAFKUMANAPHM-VIFPVBQESA-N 0 0 330.500 1.889 10 0 EDAERN Cc1cc(N2CC[C@@H](N3CC[C@H](Oc4ccncc4)C3)C2=O)n(C)n1 ZINC000131913950 223283087 /nfs/dbraw/zinc/28/30/87/223283087.db2.gz OQINZZPZOMGDEC-JKSUJKDBSA-N 0 0 341.415 1.382 10 0 EDAERN CC(=O)N[C@H]1CCCN(CC(=O)N(CC(C)C)CC(F)(F)F)C1 ZINC000077170260 201181211 /nfs/dbraw/zinc/18/12/11/201181211.db2.gz BOLHHPFPMLMXGQ-ZDUSSCGKSA-N 0 0 337.386 1.634 10 0 EDAERN NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000072003867 201173135 /nfs/dbraw/zinc/17/31/35/201173135.db2.gz QNUZKJNIFKOYSM-DVQDXYAYSA-N 0 0 342.420 1.899 10 0 EDAERN COCCOCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000042780388 202501833 /nfs/dbraw/zinc/50/18/33/202501833.db2.gz YFABBNRAJFBPIQ-INIZCTEOSA-N 0 0 336.432 1.529 10 0 EDAERN C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)c1cc(Cl)cc(CO)c1F ZINC000161899505 201392310 /nfs/dbraw/zinc/39/23/10/201392310.db2.gz IJLXNOSCKQTDKB-GZMMTYOYSA-N 0 0 337.800 1.769 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCc2nn3c(C)nnc3s2)s1 ZINC000049721738 202626991 /nfs/dbraw/zinc/62/69/91/202626991.db2.gz QKFHKXLCGDYUFT-UHFFFAOYSA-N 0 0 343.459 1.385 10 0 EDAERN C[C@H](NC(=O)[C@]1(C)CCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000163442856 201417612 /nfs/dbraw/zinc/41/76/12/201417612.db2.gz UKAUHBZFUBWGTM-HZMBPMFUSA-N 0 0 328.459 1.797 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000188874355 138854459 /nfs/dbraw/zinc/85/44/59/138854459.db2.gz ZVDUHMPIJNJWFL-LBPRGKRZSA-N 0 0 341.367 1.883 10 0 EDAERN O=C(NC1CN(C(=O)c2nc(Br)cs2)C1)C1CCC1 ZINC000189015570 138858327 /nfs/dbraw/zinc/85/83/27/138858327.db2.gz ZTINQNTZRLPHGM-UHFFFAOYSA-N 0 0 344.234 1.646 10 0 EDAERN COCCCn1c(C)cc(C(=O)CN2CCCNC(=O)[C@H]2C)c1C ZINC000189267795 138865661 /nfs/dbraw/zinc/86/56/61/138865661.db2.gz KZXXQCLIRBQGPS-OAHLLOKOSA-N 0 0 335.448 1.535 10 0 EDAERN Cn1nnnc1SCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000021798133 212251554 /nfs/dbraw/zinc/25/15/54/212251554.db2.gz JSTVXBOHLPBCDO-UHFFFAOYSA-N 0 0 333.204 1.830 10 0 EDAERN CC(=O)NCCC(=O)N1CC(=O)N2CC(C)(C)c3ccccc3[C@@H]2C1 ZINC000062270176 202795248 /nfs/dbraw/zinc/79/52/48/202795248.db2.gz XVVYGGCXFUFQRA-INIZCTEOSA-N 0 0 343.427 1.216 10 0 EDAERN CNC(=O)c1ccccc1NC(=O)CCc1nn2c(C)nnc2s1 ZINC000062215988 202795251 /nfs/dbraw/zinc/79/52/51/202795251.db2.gz XEQIRTUUBPLLKM-UHFFFAOYSA-N 0 0 344.400 1.425 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000190506585 138892243 /nfs/dbraw/zinc/89/22/43/138892243.db2.gz PQLISSJCXQNYRL-OIBJUYFYSA-N 0 0 330.793 1.207 10 0 EDAERN CC(C)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)CC[C@@H]3O ZINC000005369370 201648290 /nfs/dbraw/zinc/64/82/90/201648290.db2.gz JOTPYRMNAYGVBN-NKLUIEHISA-N 0 0 348.395 1.354 10 0 biogenic,in-vitro EDAERN CN(C[C@H]1CCCO1)c1cc(N(C)C[C@@H]2CCCO2)n2ncnc2n1 ZINC000191052654 138903549 /nfs/dbraw/zinc/90/35/49/138903549.db2.gz LQJZQOPOIDYPCR-KGLIPLIRSA-N 0 0 346.435 1.355 10 0 EDAERN O=C(c1cnccn1)N1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000069664311 203034507 /nfs/dbraw/zinc/03/45/07/203034507.db2.gz ZGESGLWYJVROGR-DEOSSOPVSA-N 0 0 344.440 1.042 10 0 EDAERN CC(C)[C@H](C(=O)NCc1ccc(S(C)(=O)=O)cc1)N1CCCC1 ZINC000069527550 203014629 /nfs/dbraw/zinc/01/46/29/203014629.db2.gz SLOALIOKRCQCBB-MRXNPFEDSA-N 0 0 338.473 1.827 10 0 EDAERN CC(C)(C(=O)Nc1ccc(Br)cc1N)S(C)(=O)=O ZINC000070127297 203072587 /nfs/dbraw/zinc/07/25/87/203072587.db2.gz CHKDZOVFLPPSSU-UHFFFAOYSA-N 0 0 335.223 1.793 10 0 EDAERN O=C(Nc1nc2c(s1)CCCC2)C1CN(S(=O)(=O)C2CC2)C1 ZINC000070818003 203081698 /nfs/dbraw/zinc/08/16/98/203081698.db2.gz XIDOSHBRCUUODC-UHFFFAOYSA-N 0 0 341.458 1.384 10 0 EDAERN Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)NC4CC4)C3)ncn2)n1 ZINC000070890837 203082362 /nfs/dbraw/zinc/08/23/62/203082362.db2.gz XJCOHLGLBMWAGR-CQSZACIVSA-N 0 0 340.431 1.774 10 0 EDAERN O=C(Cn1nc(-n2cccn2)ccc1=O)N1CCCc2ccccc21 ZINC000070873173 203083246 /nfs/dbraw/zinc/08/32/46/203083246.db2.gz TUHTVGIBMHTWLW-UHFFFAOYSA-N 0 0 335.367 1.408 10 0 EDAERN CC(C)(C)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000070933155 203084364 /nfs/dbraw/zinc/08/43/64/203084364.db2.gz MVPGZJNPHSZENF-UHFFFAOYSA-N 0 0 339.461 1.645 10 0 EDAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)cn1 ZINC000071066165 203085907 /nfs/dbraw/zinc/08/59/07/203085907.db2.gz PBZRTZVFMDFYMU-JSGCOSHPSA-N 0 0 334.420 1.550 10 0 EDAERN Cc1cc(Br)cn(CC(=O)NC[C@@H]2CCCO2)c1=O ZINC000071517108 203098497 /nfs/dbraw/zinc/09/84/97/203098497.db2.gz DELPAWYAPPKRJF-NSHDSACASA-N 0 0 329.194 1.214 10 0 EDAERN COC(=O)[C@@H](C)CN(CCNC(C)=O)C(=O)c1ccccc1OC ZINC000071609845 203100996 /nfs/dbraw/zinc/10/09/96/203100996.db2.gz XQCGNSXNPTVFFG-LBPRGKRZSA-N 0 0 336.388 1.083 10 0 EDAERN COC(=O)CCN(CCCNC(C)=O)C(=O)CCc1ccccc1 ZINC000071621295 203101561 /nfs/dbraw/zinc/10/15/61/203101561.db2.gz PFNQLVWXYXJSGJ-UHFFFAOYSA-N 0 0 334.416 1.537 10 0 EDAERN CCOC(=O)C[C@@H](NCCCNC(C)=O)C(=O)c1cccs1 ZINC000071660162 203102681 /nfs/dbraw/zinc/10/26/81/203102681.db2.gz NITVOETYXWYUNW-GFCCVEGCSA-N 0 0 326.418 1.368 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)Cc2ccc3cc(N)ccc3n2)C1 ZINC000071698526 203103338 /nfs/dbraw/zinc/10/33/38/203103338.db2.gz FYJOAOOFCJZKKD-CYBMUJFWSA-N 0 0 327.384 1.771 10 0 EDAERN O=C(N1CCC[C@](O)(CO)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000072148141 203171249 /nfs/dbraw/zinc/17/12/49/203171249.db2.gz BYVFVAYPDIPMEW-QGZVFWFLSA-N 0 0 337.391 1.220 10 0 EDAERN Cc1cc(C)n(CCCNS(=O)(=O)c2cnn(C(C)C)c2)n1 ZINC000072239135 203184356 /nfs/dbraw/zinc/18/43/56/203184356.db2.gz RCQCGMLJVOLIOQ-UHFFFAOYSA-N 0 0 325.438 1.646 10 0 EDAERN CC(C)(O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000075237871 203310848 /nfs/dbraw/zinc/31/08/48/203310848.db2.gz NHGKJADPTFJVEO-CQSZACIVSA-N 0 0 346.452 1.976 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000075510049 203316071 /nfs/dbraw/zinc/31/60/71/203316071.db2.gz CUCBRCUBNCXVPH-XCBNKYQSSA-N 0 0 332.219 1.991 10 0 EDAERN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000076098329 203339265 /nfs/dbraw/zinc/33/92/65/203339265.db2.gz JIGBSUCUEAMVQN-DOMZBBRYSA-N 0 0 331.416 1.844 10 0 EDAERN Cc1nc(-c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCCO3)cc2)n[nH]1 ZINC000077707835 203398044 /nfs/dbraw/zinc/39/80/44/203398044.db2.gz VBUFMCGXHSGGRS-HZMBPMFUSA-N 0 0 343.387 1.402 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)OCc1ccccc1 ZINC000081813757 203490600 /nfs/dbraw/zinc/49/06/00/203490600.db2.gz VKNJWVQDRNIQHY-CQSZACIVSA-N 0 0 343.387 1.464 10 0 EDAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H]1CCCc2ccccc21 ZINC000091188335 203626000 /nfs/dbraw/zinc/62/60/00/203626000.db2.gz OJLBMMRCKNTABE-HNNXBMFYSA-N 0 0 339.395 1.826 10 0 EDAERN Cc1cc(OCCCC(=O)N2CCOC[C@H]2C(N)=O)ccc1Cl ZINC000091781315 203651622 /nfs/dbraw/zinc/65/16/22/203651622.db2.gz AEBTVMQOSWLBHN-AWEZNQCLSA-N 0 0 340.807 1.520 10 0 EDAERN CCc1ccc(-c2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)o2)cc1 ZINC000091778759 203652150 /nfs/dbraw/zinc/65/21/50/203652150.db2.gz MKRKREYDTKHRRA-CQSZACIVSA-N 0 0 328.368 1.835 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)n(C)n1 ZINC000093202936 203691497 /nfs/dbraw/zinc/69/14/97/203691497.db2.gz YSEZHJUXRXLFCY-ZDUSSCGKSA-N 0 0 328.372 1.561 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc2n[nH]nc2c1 ZINC000010993909 284218000 /nfs/dbraw/zinc/21/80/00/284218000.db2.gz YAOINXQLPINVOB-LBPRGKRZSA-N 0 0 342.380 1.606 10 0 EDAERN CCOc1cc([C@H]2NC(=O)[C@@H]3COCCN32)cc(Cl)c1OC ZINC000093884535 203707352 /nfs/dbraw/zinc/70/73/52/203707352.db2.gz CKFJIEOKXRRPIG-FZMZJTMJSA-N 0 0 326.780 1.577 10 0 EDAERN O=C([O-])[C@H](c1ccsc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000095504543 203751875 /nfs/dbraw/zinc/75/18/75/203751875.db2.gz ATOCKVQGXQKHJP-AWEZNQCLSA-N 0 0 338.429 1.445 10 0 EDAERN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccoc1 ZINC000096061102 203817199 /nfs/dbraw/zinc/81/71/99/203817199.db2.gz VJSORWHUELGTJR-CQSZACIVSA-N 0 0 328.376 1.302 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000150730962 203931821 /nfs/dbraw/zinc/93/18/21/203931821.db2.gz JOVDRMPONFFLDS-SECBINFHSA-N 0 0 345.384 1.894 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@@H]1CSCCS1)CC2 ZINC000151667282 204020153 /nfs/dbraw/zinc/02/01/53/204020153.db2.gz BXLQUGANHMQJMO-WDEREUQCSA-N 0 0 326.491 1.510 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(N(C)C)cc1F)CC2 ZINC000151668904 204020908 /nfs/dbraw/zinc/02/09/08/204020908.db2.gz UADSYTNODNLFIG-NSHDSACASA-N 0 0 331.395 1.790 10 0 EDAERN COc1ncnc(Cn2cc(C(=O)NCCF)c3ncccc32)c1C ZINC000103248021 204068507 /nfs/dbraw/zinc/06/85/07/204068507.db2.gz GOTKNCGHRKDWAI-UHFFFAOYSA-N 0 0 343.362 1.891 10 0 EDAERN COC[C@@H](C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000103389898 204076774 /nfs/dbraw/zinc/07/67/74/204076774.db2.gz YOPPYUTYXOJYBZ-SNVBAGLBSA-N 0 0 343.221 1.578 10 0 EDAERN COc1ccc(CC[C@H](C)NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104792657 204119991 /nfs/dbraw/zinc/11/99/91/204119991.db2.gz OPVNJKLXXRVJSN-YOEHRIQHSA-N 0 0 335.448 1.646 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCCCOCCc2ccccc2)C1 ZINC000104784981 204120655 /nfs/dbraw/zinc/12/06/55/204120655.db2.gz UZXUSLPIXXFQBH-SFHVURJKSA-N 0 0 349.475 1.656 10 0 EDAERN COC[C@@H](O)CN(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000042483630 204102627 /nfs/dbraw/zinc/10/26/27/204102627.db2.gz HQFUCWFXDLEAST-QMMMGPOBSA-N 0 0 343.232 1.203 10 0 EDAERN CCCCCCNC(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105801020 204160803 /nfs/dbraw/zinc/16/08/03/204160803.db2.gz XWRWZJLDSYQAMX-UHFFFAOYSA-N 0 0 333.480 1.994 10 0 EDAERN CN(C(=O)CN1CCCN(c2cccnn2)CC1)c1nccs1 ZINC000105800132 204161306 /nfs/dbraw/zinc/16/13/06/204161306.db2.gz PGJGGWQBQHRBLH-UHFFFAOYSA-N 0 0 332.433 1.108 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1 ZINC000105831436 204166170 /nfs/dbraw/zinc/16/61/70/204166170.db2.gz STLPOOJGBNZIPY-UHFFFAOYSA-N 0 0 343.431 1.742 10 0 EDAERN Cn1ccnc1CN1CCC(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000194888273 139001908 /nfs/dbraw/zinc/00/19/08/139001908.db2.gz LUMPETWDYHAOAN-INIZCTEOSA-N 0 0 340.427 1.882 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105860698 204170786 /nfs/dbraw/zinc/17/07/86/204170786.db2.gz QRSJIVWQLVXRPS-HNNXBMFYSA-N 0 0 341.477 1.960 10 0 EDAERN O=C(CNC(=O)c1ccccc1)N1CCC(Nc2cccnn2)CC1 ZINC000105868134 204172303 /nfs/dbraw/zinc/17/23/03/204172303.db2.gz MPRLHXZCJILKJW-UHFFFAOYSA-N 0 0 339.399 1.310 10 0 EDAERN CSc1ccc(S(=O)(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000194931395 139002823 /nfs/dbraw/zinc/00/28/23/139002823.db2.gz DJGNRZWDTMLJDA-GFCCVEGCSA-N 0 0 328.459 1.698 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)Cc3cccc(O)c3)CC2)nn1 ZINC000105867964 204173736 /nfs/dbraw/zinc/17/37/36/204173736.db2.gz WEBWTHPODYAONQ-UHFFFAOYSA-N 0 0 326.400 1.772 10 0 EDAERN COc1ccc(O)c(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000105875071 204174641 /nfs/dbraw/zinc/17/46/41/204174641.db2.gz QQDNYRWULGGRDF-UHFFFAOYSA-N 0 0 344.415 1.482 10 0 EDAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCN4CCCC[C@@H]4C3)ccc2O1 ZINC000106227722 204187928 /nfs/dbraw/zinc/18/79/28/204187928.db2.gz UWBSUHPHOFHKHZ-DZGCQCFKSA-N 0 0 336.457 1.869 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(C[S@](C)=O)c2)CC1 ZINC000106397291 204193937 /nfs/dbraw/zinc/19/39/37/204193937.db2.gz OZOOIVXVSYNSAI-QMHKHESXSA-N 0 0 338.473 1.094 10 0 EDAERN Cn1cc([C@@H]2CCCN2c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cn1 ZINC000108946091 204274371 /nfs/dbraw/zinc/27/43/71/204274371.db2.gz IFSGXNHAOQUBPM-ZDUSSCGKSA-N 0 0 341.419 1.950 10 0 EDAERN CS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(N)cs2)cc1 ZINC000045173354 204319124 /nfs/dbraw/zinc/31/91/24/204319124.db2.gz SFNSQBAUGULLIZ-UHFFFAOYSA-N 0 0 346.455 1.212 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)nnn3C)C1 ZINC000110753187 204322558 /nfs/dbraw/zinc/32/25/58/204322558.db2.gz MPMPNFIVWZDVJD-CYBMUJFWSA-N 0 0 339.403 1.600 10 0 EDAERN O=C(c1cc2c(s1)CCOC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000111079009 204334909 /nfs/dbraw/zinc/33/49/09/204334909.db2.gz JNYKILIWBPPNEU-ZDUSSCGKSA-N 0 0 333.413 1.559 10 0 EDAERN O=C(c1cc(F)c(F)c(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078972 204335246 /nfs/dbraw/zinc/33/52/46/204335246.db2.gz WIYHSROBLXUKNQ-LLVKDONJSA-N 0 0 325.290 1.842 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)N2CCCSCC2)c(N)c1 ZINC000048895996 204357490 /nfs/dbraw/zinc/35/74/90/204357490.db2.gz SNENJULWKQUAAC-UHFFFAOYSA-N 0 0 330.431 1.183 10 0 EDAERN CCOc1ccc(N)cc1S(=O)(=O)NCc1csc(C)n1 ZINC000049539355 204418049 /nfs/dbraw/zinc/41/80/49/204418049.db2.gz RTZFDLIAGOUVKP-UHFFFAOYSA-N 0 0 327.431 1.911 10 0 EDAERN CC(C)Oc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000112743525 204416358 /nfs/dbraw/zinc/41/63/58/204416358.db2.gz OFPBWYADJDVCJB-CYBMUJFWSA-N 0 0 330.392 1.275 10 0 EDAERN COC(=O)c1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000112064509 204381744 /nfs/dbraw/zinc/38/17/44/204381744.db2.gz CNEBQLQQEGADFA-MRXNPFEDSA-N 0 0 343.383 1.519 10 0 EDAERN C[C@@H](CN1CCOCC1)NC(=O)c1ccc(Br)c(N)c1 ZINC000049503604 204393049 /nfs/dbraw/zinc/39/30/49/204393049.db2.gz GLJAPLJERGETNR-JTQLQIEISA-N 0 0 342.237 1.482 10 0 EDAERN CO[C@H](C)CS(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000195274941 139012077 /nfs/dbraw/zinc/01/20/77/139012077.db2.gz OKBRCJNSYQZUCQ-GFCCVEGCSA-N 0 0 339.417 1.315 10 0 EDAERN COCCCOc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000116122164 204521326 /nfs/dbraw/zinc/52/13/26/204521326.db2.gz KJRXRRNMLGVUAQ-HNNXBMFYSA-N 0 0 344.415 1.860 10 0 EDAERN CCCCOCCNC(=O)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195396846 139015809 /nfs/dbraw/zinc/01/58/09/139015809.db2.gz CIEBLLFVNSZSOS-CQSZACIVSA-N 0 0 341.477 1.758 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)NC1CCCCC1 ZINC000195427373 139016265 /nfs/dbraw/zinc/01/62/65/139016265.db2.gz YLWSCKHVVPRAFZ-LLVKDONJSA-N 0 0 343.453 1.006 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)Cc2ccccc2F)CCN1CCOC ZINC000117371643 204567473 /nfs/dbraw/zinc/56/74/73/204567473.db2.gz MVDBQPQXMFAVIW-HNNXBMFYSA-N 0 0 344.452 1.698 10 0 EDAERN CO[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1Br ZINC000050368242 204594281 /nfs/dbraw/zinc/59/42/81/204594281.db2.gz USDARPBNFQCWHB-QWRGUYRKSA-N 0 0 349.250 1.877 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000119567800 204668010 /nfs/dbraw/zinc/66/80/10/204668010.db2.gz SKXVGVZRCPEWQR-ZNMIVQPWSA-N 0 0 334.416 1.953 10 0 EDAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000119407741 204654656 /nfs/dbraw/zinc/65/46/56/204654656.db2.gz ZBBVIQYYFCBHQQ-UHFFFAOYSA-N 0 0 347.806 1.813 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccc(F)cc2C1 ZINC000121634143 204814190 /nfs/dbraw/zinc/81/41/90/204814190.db2.gz NNONFCCSWWGGRM-QGZVFWFLSA-N 0 0 341.386 1.990 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124508508 204966289 /nfs/dbraw/zinc/96/62/89/204966289.db2.gz XZTOKRLWDFDARF-UHFFFAOYSA-N 0 0 341.477 1.587 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C1 ZINC000155656102 205027460 /nfs/dbraw/zinc/02/74/60/205027460.db2.gz PVDREYMOXBWWJT-CYBMUJFWSA-N 0 0 345.374 1.716 10 0 EDAERN O=C(c1ccc(N2CCCC2)nn1)N1CCC(Cn2cccn2)CC1 ZINC000126328190 205051706 /nfs/dbraw/zinc/05/17/06/205051706.db2.gz CTCUJNNXLZKOOR-UHFFFAOYSA-N 0 0 340.431 1.826 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000127066848 205082902 /nfs/dbraw/zinc/08/29/02/205082902.db2.gz OBOUASZPPVSNKF-CYBMUJFWSA-N 0 0 343.387 1.164 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cnc1Cl ZINC000129453296 205197377 /nfs/dbraw/zinc/19/73/77/205197377.db2.gz PGKJSNWCPUHVGZ-LLVKDONJSA-N 0 0 347.806 1.732 10 0 EDAERN O=C(NC[C@@]1(O)CCc2ccccc21)N[C@H]1CCCn2ncnc21 ZINC000130273890 205231833 /nfs/dbraw/zinc/23/18/33/205231833.db2.gz CUIOTNZOVOTBCZ-YOEHRIQHSA-N 0 0 327.388 1.246 10 0 EDAERN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N[C@@H]1CCCC[C@@H]1O ZINC000130766794 205256297 /nfs/dbraw/zinc/25/62/97/205256297.db2.gz OEWWPUHVZSVNLL-OLZOCXBDSA-N 0 0 347.383 1.645 10 0 EDAERN O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1)N1CCCC1 ZINC000158754683 205368185 /nfs/dbraw/zinc/36/81/85/205368185.db2.gz XEBLZMXUDJCRNE-QZTJIDSGSA-N 0 0 347.503 1.969 10 0 EDAERN CC(C)[C@H](C)NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000133679251 205373185 /nfs/dbraw/zinc/37/31/85/205373185.db2.gz MURVLSFWGCKKJO-QWRGUYRKSA-N 0 0 334.463 1.226 10 0 EDAERN O=C(c1ccc(Cl)o1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136379877 205501698 /nfs/dbraw/zinc/50/16/98/205501698.db2.gz JWUKXPUBQFQMAA-UHFFFAOYSA-N 0 0 332.751 1.333 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1-n1cnnn1 ZINC000151155046 205616851 /nfs/dbraw/zinc/61/68/51/205616851.db2.gz BWGNNRIPNDVSBR-GFCCVEGCSA-N 0 0 338.375 1.081 10 0 EDAERN CCOCCCCNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000111831621 220201837 /nfs/dbraw/zinc/20/18/37/220201837.db2.gz TYYSOJBEXDQZLS-CYBMUJFWSA-N 0 0 339.440 1.583 10 0 EDAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000245424915 139073980 /nfs/dbraw/zinc/07/39/80/139073980.db2.gz SLVGDJSGCNWGKW-BDAKNGLRSA-N 0 0 330.504 1.988 10 0 EDAERN CCC1(CC)[C@H](NC(=O)NC[C@H](C)N2CCOCC2)[C@@H](C)[C@H]1OC ZINC000245597451 139080450 /nfs/dbraw/zinc/08/04/50/139080450.db2.gz IWYBTIZGNOGCFW-ZJIFWQFVSA-N 0 0 341.496 1.846 10 0 EDAERN CCc1noc([C@H](C)N2CCN(c3ccc4nccnc4n3)CC2)n1 ZINC000112080486 220240859 /nfs/dbraw/zinc/24/08/59/220240859.db2.gz YBUILOUTHCAXGW-LBPRGKRZSA-N 0 0 339.403 1.853 10 0 EDAERN Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CN(C)CCO3)C2)cc1 ZINC000245666451 139082501 /nfs/dbraw/zinc/08/25/01/139082501.db2.gz DVRIERIJOLEINF-WMZOPIPTSA-N 0 0 346.475 1.594 10 0 EDAERN CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000245692436 139083417 /nfs/dbraw/zinc/08/34/17/139083417.db2.gz WHZXVCMOIYJWCN-ZWKOTPCHSA-N 0 0 331.460 1.349 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000155467497 206008165 /nfs/dbraw/zinc/00/81/65/206008165.db2.gz MYJJEDILSLCZGU-GFCCVEGCSA-N 0 0 337.424 1.024 10 0 EDAERN O=C(Cn1cnnn1)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156654569 206091819 /nfs/dbraw/zinc/09/18/19/206091819.db2.gz JMRBPQTYPDOGCM-GZMMTYOYSA-N 0 0 326.187 1.900 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000156973927 206110270 /nfs/dbraw/zinc/11/02/70/206110270.db2.gz OIHMSGACIGDINU-ZDUSSCGKSA-N 0 0 329.404 1.620 10 0 EDAERN COCCN1C[C@H](C(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1=O ZINC000157769315 206154065 /nfs/dbraw/zinc/15/40/65/206154065.db2.gz ZYDCWAPLRFMGQC-CZUORRHYSA-N 0 0 334.391 1.814 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2F)C[C@H]1N1CCOCC1 ZINC000157858230 206160818 /nfs/dbraw/zinc/16/08/18/206160818.db2.gz JSJGWINDUZQUHM-CXAGYDPISA-N 0 0 335.423 1.684 10 0 EDAERN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C[C@@H](O)C(C)C)cc1 ZINC000158775084 206209244 /nfs/dbraw/zinc/20/92/44/206209244.db2.gz IMZHYDQOJASLIC-SMDDNHRTSA-N 0 0 328.434 1.179 10 0 EDAERN C[NH+](C)C[C@H]1CN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000159119579 206226919 /nfs/dbraw/zinc/22/69/19/206226919.db2.gz TVPAEZWHXUFYIM-CVEARBPZSA-N 0 0 346.393 1.871 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCCCNC(=O)C(C)C)C(C)C ZINC000159163193 206229645 /nfs/dbraw/zinc/22/96/45/206229645.db2.gz ZZVFCUKORARUFR-OAHLLOKOSA-N 0 0 327.469 1.452 10 0 EDAERN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000246063285 139093428 /nfs/dbraw/zinc/09/34/28/139093428.db2.gz RIDWSZAYVRGPLI-SOLBZPMBSA-N 0 0 331.460 1.881 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000159351748 206239682 /nfs/dbraw/zinc/23/96/82/206239682.db2.gz ALRCBTKHOFJAIL-CJNGLKHVSA-N 0 0 341.415 1.853 10 0 EDAERN COc1ccc(/C=c2/s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc1O ZINC000100542837 206247991 /nfs/dbraw/zinc/24/79/91/206247991.db2.gz QGGLCGBRBYFWPB-FPLYRLCPSA-N 0 0 333.409 1.375 10 0 EDAERN CC[C@@H]1C(=O)NC(=O)CN1c1ncc(Cl)cc1Br ZINC000159828769 206265496 /nfs/dbraw/zinc/26/54/96/206265496.db2.gz BZPRORRPQSTZAS-MRVPVSSYSA-N 0 0 332.585 1.739 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CCO2)[nH]1 ZINC000246462260 139109526 /nfs/dbraw/zinc/10/95/26/139109526.db2.gz JQWXDRGUFOEOIC-KKUMJFAQSA-N 0 0 345.378 1.891 10 0 EDAERN CCCN(CC)c1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000246649557 139116529 /nfs/dbraw/zinc/11/65/29/139116529.db2.gz GHGVTZLPTBPWNY-JKSUJKDBSA-N 0 0 348.491 1.845 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000246798223 139121943 /nfs/dbraw/zinc/12/19/43/139121943.db2.gz RBCMIKFEEXWRQQ-NEPJUHHUSA-N 0 0 339.823 1.192 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3ccccc3C)CCO2)[nH]1 ZINC000246883480 139125417 /nfs/dbraw/zinc/12/54/17/139125417.db2.gz GSZBVGYZHJAXFQ-GDBMZVCRSA-N 0 0 332.404 1.235 10 0 EDAERN O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCN2CCCC[C@H]2C1 ZINC000246925901 139127276 /nfs/dbraw/zinc/12/72/76/139127276.db2.gz DLXRZWIMDVMSEN-RBUKOAKNSA-N 0 0 343.471 1.584 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cccc(Cl)c2C)C[C@@H]1C ZINC000246997135 139130521 /nfs/dbraw/zinc/13/05/21/139130521.db2.gz GKQFSCZIDVFARJ-LBPRGKRZSA-N 0 0 346.880 1.990 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3ccc(C)cc3C)CCO2)[nH]1 ZINC000246999516 139130648 /nfs/dbraw/zinc/13/06/48/139130648.db2.gz NVEBIYGWWBIPQD-DOTOQJQBSA-N 0 0 346.431 1.543 10 0 EDAERN CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(N)=O ZINC000001640318 206307206 /nfs/dbraw/zinc/30/72/06/206307206.db2.gz RVVQEXKXIZCDGV-OCCSQVGLSA-N 0 0 335.404 1.318 10 0 EDAERN C[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(CO)sc1Br ZINC000160752453 206311100 /nfs/dbraw/zinc/31/11/00/206311100.db2.gz PPFBDZCIHBNEIY-RQJHMYQMSA-N 0 0 340.264 1.937 10 0 EDAERN Cc1cc(Br)cc(C=O)c1O[C@H](C)C(=O)NC(N)=O ZINC000160772562 206313002 /nfs/dbraw/zinc/31/30/02/206313002.db2.gz PDMWLHHEKCRVLN-SSDOTTSWSA-N 0 0 329.150 1.532 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000102374971 206317560 /nfs/dbraw/zinc/31/75/60/206317560.db2.gz KNGDMTQWJSJSDN-VIFPVBQESA-N 0 0 329.312 1.482 10 0 EDAERN CCC(CC)NC(=O)[C@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864384 206455743 /nfs/dbraw/zinc/45/57/43/206455743.db2.gz AWYZPUAODLFUIR-QWHCGFSZSA-N 0 0 337.468 1.750 10 0 EDAERN C[C@H](CCO)NC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000247119832 139136469 /nfs/dbraw/zinc/13/64/69/139136469.db2.gz XGLVHPOKKBIRHF-HZSPNIEDSA-N 0 0 341.477 1.580 10 0 EDAERN Cc1ccc(N2CCCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)nn1 ZINC000247151386 139137773 /nfs/dbraw/zinc/13/77/73/139137773.db2.gz LSVVSHGXDKUUEC-QGZVFWFLSA-N 0 0 343.406 1.663 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCNC(=O)CC(C)C ZINC000247201101 139140253 /nfs/dbraw/zinc/14/02/53/139140253.db2.gz ZZTDCASACQZTGW-KFWWJZLASA-N 0 0 338.448 1.872 10 0 EDAERN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 ZINC000247268298 139143075 /nfs/dbraw/zinc/14/30/75/139143075.db2.gz ROVSNOKTDYPKCT-SCVCMEIPSA-N 0 0 346.399 1.307 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000170822991 206619967 /nfs/dbraw/zinc/61/99/67/206619967.db2.gz NEDQMGOUKNEXPS-GZMMTYOYSA-N 0 0 343.305 1.442 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCNC(=O)C(C)C)C2)no1 ZINC000170883697 206631943 /nfs/dbraw/zinc/63/19/43/206631943.db2.gz LSTJRNWNIILKJR-ZDUSSCGKSA-N 0 0 337.424 1.114 10 0 EDAERN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1C[C@@H](O)C[C@@H]1CO ZINC000249380076 139192124 /nfs/dbraw/zinc/19/21/24/139192124.db2.gz ZTVKREIMOSTLMN-UPJWGTAASA-N 0 0 349.456 1.071 10 0 EDAERN CN(C[C@@H](O)COCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000249689594 139197109 /nfs/dbraw/zinc/19/71/09/139197109.db2.gz WYVYLDLTYPLGSW-LSDHHAIUSA-N 0 0 347.864 1.336 10 0 EDAERN O=C(CN1CCO[C@@H]2CCCC[C@H]21)NCCN1CCc2ccccc21 ZINC000249714401 139197445 /nfs/dbraw/zinc/19/74/45/139197445.db2.gz HFTQUBYNRKFGCI-RTBURBONSA-N 0 0 343.471 1.809 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CNC(=O)CC(C)(C)C ZINC000249760402 139198285 /nfs/dbraw/zinc/19/82/85/139198285.db2.gz XLXQBPLBOBFECH-MCIONIFRSA-N 0 0 338.448 1.872 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171433215 206704700 /nfs/dbraw/zinc/70/47/00/206704700.db2.gz LHASFFSTOXCVES-HNNXBMFYSA-N 0 0 349.412 1.733 10 0 EDAERN COCCNc1oc2c(c1-c1cccc(F)c1)c(=O)n(C)c(=O)n2C ZINC000095116707 218281668 /nfs/dbraw/zinc/28/16/68/218281668.db2.gz ANIQOBAGYDTLBH-UHFFFAOYSA-N 0 0 347.346 1.695 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@H]2C[C@H]2C)C(C)C)c1 ZINC000252202814 139203995 /nfs/dbraw/zinc/20/39/95/139203995.db2.gz WOZUWEURSPRCQC-RLCCDNCMSA-N 0 0 334.416 1.983 10 0 EDAERN Cc1cccc(C)c1OCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000171868401 206759191 /nfs/dbraw/zinc/75/91/91/206759191.db2.gz ZEFUDKLXCIDTFS-AWEZNQCLSA-N 0 0 329.404 1.588 10 0 EDAERN COCCN[C@@H](C(=O)OC)c1cc2c(c(Br)c1)OCO2 ZINC000053258794 206788487 /nfs/dbraw/zinc/78/84/87/206788487.db2.gz KAHWXJMWLUMLOV-LLVKDONJSA-N 0 0 346.177 1.628 10 0 EDAERN Cc1cnn(CCNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000172292795 206810080 /nfs/dbraw/zinc/81/00/80/206810080.db2.gz ZHCKJUPTBREQNG-CYBMUJFWSA-N 0 0 339.440 1.794 10 0 EDAERN CC(C)(C)C(=O)NCCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000172376424 206823118 /nfs/dbraw/zinc/82/31/18/206823118.db2.gz ZZUYSODZNQRAHZ-UHFFFAOYSA-N 0 0 335.452 1.467 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2ccccc2Br)C[C@@H]1C ZINC000174323199 207010857 /nfs/dbraw/zinc/01/08/57/207010857.db2.gz DKNMPUFLEDOERC-NWDGAFQWSA-N 0 0 341.249 1.976 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000174650672 207042859 /nfs/dbraw/zinc/04/28/59/207042859.db2.gz PDVMHLIWDKJOKV-QGZVFWFLSA-N 0 0 326.400 1.637 10 0 EDAERN Cn1cc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000174650277 207042932 /nfs/dbraw/zinc/04/29/32/207042932.db2.gz SIMONBWTPFEREY-MRXNPFEDSA-N 0 0 329.404 1.303 10 0 EDAERN COCCn1ccc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)n1 ZINC000175843819 207165790 /nfs/dbraw/zinc/16/57/90/207165790.db2.gz ZJIWANQIOQJDAX-UHFFFAOYSA-N 0 0 346.431 1.409 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c(F)cc1F ZINC000175805903 207161537 /nfs/dbraw/zinc/16/15/37/207161537.db2.gz FJOUVWGHAYIWOL-NSHDSACASA-N 0 0 342.371 1.891 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1CC ZINC000187989880 272953991 /nfs/dbraw/zinc/95/39/91/272953991.db2.gz SZRATYKNWLJAKR-UHFFFAOYSA-N 0 0 343.427 1.487 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000176250638 207206969 /nfs/dbraw/zinc/20/69/69/207206969.db2.gz JLJROXHUCPDCFH-UHFFFAOYSA-N 0 0 340.383 1.465 10 0 EDAERN O=C(Nc1ccc2scnc2c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000176656561 207247526 /nfs/dbraw/zinc/24/75/26/207247526.db2.gz UNQNTPLKIZMAPI-CMPLNLGQSA-N 0 0 333.413 1.902 10 0 EDAERN COc1cc(F)ccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177398946 207330962 /nfs/dbraw/zinc/33/09/62/207330962.db2.gz PSEWDXPMKKQCSJ-ZDUSSCGKSA-N 0 0 335.379 1.470 10 0 EDAERN O=C(Nc1cnc2ccccc2c1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177395021 207331588 /nfs/dbraw/zinc/33/15/88/207331588.db2.gz UVVZIDSTBXJDRH-MRXNPFEDSA-N 0 0 338.411 1.870 10 0 EDAERN O=C(CSC[C@@H](O)CO)Nc1nc(-c2cccs2)cs1 ZINC000177420717 207334353 /nfs/dbraw/zinc/33/43/53/207334353.db2.gz WZDFXYVUMSGAPK-QMMMGPOBSA-N 0 0 330.456 1.897 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(-c2ccco2)[nH]c1=O ZINC000177540597 207350050 /nfs/dbraw/zinc/35/00/50/207350050.db2.gz KBTPEPALIFLKMA-GFCCVEGCSA-N 0 0 325.328 1.491 10 0 EDAERN O=C(Nc1cccc(-n2ccnc2)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177551243 207351240 /nfs/dbraw/zinc/35/12/40/207351240.db2.gz SOHRAHGGZQRMBY-BBRMVZONSA-N 0 0 342.399 1.478 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cccc(N2CCCC2=O)c1 ZINC000177612757 207363996 /nfs/dbraw/zinc/36/39/96/207363996.db2.gz VANMNHNSBNWWLX-CQSZACIVSA-N 0 0 325.372 1.670 10 0 EDAERN COC(=O)[C@@H]1CN(C(=O)c2cccc(N)c2Br)C[C@@H]1C ZINC000158989485 532982603 /nfs/dbraw/zinc/98/26/03/532982603.db2.gz FQXCEEVZLRMQBZ-WCBMZHEXSA-N 0 0 341.205 1.912 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1cccn(C)c1=O)CC2 ZINC000181607504 207966782 /nfs/dbraw/zinc/96/67/82/207966782.db2.gz MNTAKRYRICFBSD-NSHDSACASA-N 0 0 330.392 1.237 10 0 EDAERN CNc1nnc(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000183509211 533099587 /nfs/dbraw/zinc/09/95/87/533099587.db2.gz ZTGLABDYULLCOP-SECBINFHSA-N 0 0 334.401 1.771 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000190736722 533122486 /nfs/dbraw/zinc/12/24/86/533122486.db2.gz OZEMPSBJOJXVJT-QGZVFWFLSA-N 0 0 336.363 1.039 10 0 EDAERN O=C(/C=C\c1ccncn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000492333860 255171068 /nfs/dbraw/zinc/17/10/68/255171068.db2.gz ADQLKKARRUYTOE-MJRGOJFPSA-N 0 0 338.411 1.368 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000115955884 220922110 /nfs/dbraw/zinc/92/21/10/220922110.db2.gz CFKPMRCCBQWALA-ZDUSSCGKSA-N 0 0 343.449 1.457 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC000117368489 221057878 /nfs/dbraw/zinc/05/78/78/221057878.db2.gz GZNLKRIUWFCMPB-HNNXBMFYSA-N 0 0 326.462 1.559 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2nnc(CC)s2)C[C@@H]1C ZINC000117436385 221061974 /nfs/dbraw/zinc/06/19/74/221061974.db2.gz BRWOMWMMDFAMCD-NSHDSACASA-N 0 0 327.454 1.675 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000117294729 221047491 /nfs/dbraw/zinc/04/74/91/221047491.db2.gz YCGUICOMMNADQD-OAHLLOKOSA-N 0 0 328.416 1.665 10 0 EDAERN COCCN1CCN(C(=O)NCCOc2ccccc2C)C[C@@H]1C ZINC000117483261 221070699 /nfs/dbraw/zinc/07/06/99/221070699.db2.gz QPDNMYQDHISGGS-INIZCTEOSA-N 0 0 335.448 1.736 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117522974 221074129 /nfs/dbraw/zinc/07/41/29/221074129.db2.gz FWAWHBINASLOGO-OAHLLOKOSA-N 0 0 347.459 1.675 10 0 EDAERN CCOCCN1CCN(C(=O)CSCC(F)(F)F)C[C@H]1C ZINC000118991515 221218479 /nfs/dbraw/zinc/21/84/79/221218479.db2.gz CRRXCCSQWSNTHA-LLVKDONJSA-N 0 0 328.400 1.851 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119522193 221339415 /nfs/dbraw/zinc/33/94/15/221339415.db2.gz OVABHCWBGFRORX-CQSZACIVSA-N 0 0 344.408 1.532 10 0 EDAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000120188422 221506703 /nfs/dbraw/zinc/50/67/03/221506703.db2.gz VHXIHHLAPZZZGQ-QFIPXVFZSA-N 0 0 326.466 1.846 10 0 EDAERN COc1cc2c(c3oc(=O)c4c(c13)[C@H](O)CC4=O)[C@@H]1C=CO[C@@H]1O2 ZINC000014442550 257692192 /nfs/dbraw/zinc/69/21/92/257692192.db2.gz GYNOTJLCULOEIM-DQLZMYNCSA-N 0 0 328.276 1.767 10 0 endogenous,in-man EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Br)cc1F ZINC000168842186 533548163 /nfs/dbraw/zinc/54/81/63/533548163.db2.gz PRODUUYRBSXRMW-GZMMTYOYSA-N 0 0 346.152 1.337 10 0 EDAERN CCS(=O)(=O)N1CCN(c2cc(-c3ccc(C)cc3)ncn2)CC1 ZINC000035483167 132389872 /nfs/dbraw/zinc/38/98/72/132389872.db2.gz QUHQOHSGAJGESB-UHFFFAOYSA-N 0 0 346.456 1.924 10 0 EDAERN Cc1ccc(NS(=O)(=O)N(C)C)cc1N1CCCCS1(=O)=O ZINC000036090337 132391281 /nfs/dbraw/zinc/39/12/81/132391281.db2.gz SZRYHTOMMJTPBM-UHFFFAOYSA-N 0 0 347.462 1.143 10 0 EDAERN Cc1cc2oc(=O)cc(CN3CCOC[C@H]3C(N)=O)c2cc1C(C)C ZINC000092228522 292026844 /nfs/dbraw/zinc/02/68/44/292026844.db2.gz ZRFFLERUEWAJIT-INIZCTEOSA-N 0 0 344.411 1.911 10 0 EDAERN COC(=O)CCC(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)CO2 ZINC000012121223 135692304 /nfs/dbraw/zinc/69/23/04/135692304.db2.gz WFDQOVDOSHLDDF-UHFFFAOYSA-N 0 0 334.372 1.960 10 0 EDAERN COc1ccc(CNC(=O)c2cnc(N3CCOCC3)nc2)cc1 ZINC000015777844 135708442 /nfs/dbraw/zinc/70/84/42/135708442.db2.gz VQQZCYCAWUCZIV-UHFFFAOYSA-N 0 0 328.372 1.252 10 0 EDAERN C[C@@H](CS(=O)(=O)N1CCOC[C@@]12CCOC2)c1ccccc1 ZINC000328601200 140666050 /nfs/dbraw/zinc/66/60/50/140666050.db2.gz FBVJQQCMFOLGFO-HOCLYGCPSA-N 0 0 325.430 1.611 10 0 EDAERN Cc1noc(C2CN(C(=O)[C@@H]3CCCN3C(=O)C3CCCC3)C2)n1 ZINC000332991808 141248110 /nfs/dbraw/zinc/24/81/10/141248110.db2.gz BKRDEVTUZDOFME-AWEZNQCLSA-N 0 0 332.404 1.485 10 0 EDAERN O=C(c1ccc2c(n1)CCCC2)N1CCN(Cc2ccon2)CC1 ZINC000333034705 141253364 /nfs/dbraw/zinc/25/33/64/141253364.db2.gz CWIOJLSLLDHVQQ-UHFFFAOYSA-N 0 0 326.400 1.906 10 0 EDAERN CC[C@@H]1C[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC(=O)N1 ZINC000333071631 141258868 /nfs/dbraw/zinc/25/88/68/141258868.db2.gz OVZXJJONEOPZCK-TUVASFSCSA-N 0 0 335.448 1.199 10 0 EDAERN Cn1nccc1[C@H]1C[C@H](NS(=O)(=O)NC2CCCC2)CCO1 ZINC000333076408 141259744 /nfs/dbraw/zinc/25/97/44/141259744.db2.gz KZCPISXPBVKQJG-TZMCWYRMSA-N 0 0 328.438 1.007 10 0 EDAERN Cc1ncsc1CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000333078560 141260199 /nfs/dbraw/zinc/26/01/99/141260199.db2.gz LLRQJVYEQJRPOR-LBPRGKRZSA-N 0 0 345.490 1.314 10 0 EDAERN Cc1nc(-c2cccc(C(=O)N3CC(=O)N(CC4CC4)C3)c2)n[nH]1 ZINC000333303039 141295632 /nfs/dbraw/zinc/29/56/32/141295632.db2.gz MCESXTMHHYYONU-UHFFFAOYSA-N 0 0 325.372 1.432 10 0 EDAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N[C@H]1CCCn2ncnc21 ZINC000333328800 141300275 /nfs/dbraw/zinc/30/02/75/141300275.db2.gz YIFXCOUHUVUQBB-RDBSUJKOSA-N 0 0 346.435 1.203 10 0 EDAERN CN(CC1CC(O)C1)C(=O)CCN1C(=O)CSc2ccccc21 ZINC000333417187 141314613 /nfs/dbraw/zinc/31/46/13/141314613.db2.gz FHGHYQJNNQHCIN-UHFFFAOYSA-N 0 0 334.441 1.745 10 0 EDAERN CCOC[C@@H]1Cn2cncc2CN(C(=O)c2cccnc2OC)C1 ZINC000096208417 286153133 /nfs/dbraw/zinc/15/31/33/286153133.db2.gz ZEKLLIOVOQAUBO-ZDUSSCGKSA-N 0 0 330.388 1.595 10 0 EDAERN Cc1cccc(C)c1-n1nnnc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000173948430 292434065 /nfs/dbraw/zinc/43/40/65/292434065.db2.gz KXSBGGMQWSMZMI-MRXNPFEDSA-N 0 0 342.447 1.186 10 0 EDAERN CCCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081449940 287312996 /nfs/dbraw/zinc/31/29/96/287312996.db2.gz JMFHEPYIRODZGB-QWHCGFSZSA-N 0 0 326.437 1.966 10 0 EDAERN COCCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000159457835 225221623 /nfs/dbraw/zinc/22/16/23/225221623.db2.gz ZWDHCBTXZWYINI-SNVBAGLBSA-N 0 0 345.193 1.840 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1-n1cccn1 ZINC000120469141 287361306 /nfs/dbraw/zinc/36/13/06/287361306.db2.gz HCVLYEPWXRHEGT-HUUCEWRRSA-N 0 0 343.431 1.563 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000120616582 287362895 /nfs/dbraw/zinc/36/28/95/287362895.db2.gz DAULHPNBJNQXOZ-LLVKDONJSA-N 0 0 325.328 1.617 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CO)n(-c2ccccc2F)n1 ZINC000121004215 287366776 /nfs/dbraw/zinc/36/67/76/287366776.db2.gz JOJPTJSDICMQNX-LBPRGKRZSA-N 0 0 346.362 1.242 10 0 EDAERN Cc1c(CO)cc(Cl)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000167023881 226176766 /nfs/dbraw/zinc/17/67/66/226176766.db2.gz IXGWEFSTDNAUQN-QWRGUYRKSA-N 0 0 333.837 1.844 10 0 EDAERN Cc1c(N)cnc(NC[C@@H]2CCS(=O)(=O)C2)c1Br ZINC000165531206 226128660 /nfs/dbraw/zinc/12/86/60/226128660.db2.gz CITCMIBHTZPIMW-QMMMGPOBSA-N 0 0 334.239 1.581 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccccc1F)c1nnc2n1CCCC2 ZINC000165564057 226129023 /nfs/dbraw/zinc/12/90/23/226129023.db2.gz FWCNQEPMAKLCGP-JTQLQIEISA-N 0 0 331.351 1.569 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCN2CCOC(C)(C)C2)cn1 ZINC000171365494 227042745 /nfs/dbraw/zinc/04/27/45/227042745.db2.gz SJMFDNRJWYISDV-HNNXBMFYSA-N 0 0 335.452 1.377 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000121267568 221801673 /nfs/dbraw/zinc/80/16/73/221801673.db2.gz JQRDRQPSVGOORZ-NSHDSACASA-N 0 0 325.315 1.030 10 0 EDAERN CCCCN(CCOC)C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122463662 222093535 /nfs/dbraw/zinc/09/35/35/222093535.db2.gz HJLSUZWDLYOIKF-CYBMUJFWSA-N 0 0 339.440 1.718 10 0 EDAERN CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000122446183 222088921 /nfs/dbraw/zinc/08/89/21/222088921.db2.gz SMNKAMMIYGUBBH-UHFFFAOYSA-N 0 0 348.428 1.338 10 0 EDAERN COc1cccc(-c2cc(C(=O)N[C@H]3CCCn4ncnc43)[nH]n2)c1 ZINC000125110717 222522690 /nfs/dbraw/zinc/52/26/90/222522690.db2.gz AWAFILHATAALIO-ZDUSSCGKSA-N 0 0 338.371 1.942 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)C1 ZINC000087234944 267429138 /nfs/dbraw/zinc/42/91/38/267429138.db2.gz OQSJOGUAONBWQV-HUUCEWRRSA-N 0 0 338.448 1.825 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)C(C)C ZINC000178400445 267559847 /nfs/dbraw/zinc/55/98/47/267559847.db2.gz KOFXEYMETORIMN-HUUCEWRRSA-N 0 0 337.395 1.679 10 0 EDAERN O=C(Cc1nc2ncccn2n1)N[C@H]1CCCc2cc(F)ccc21 ZINC000179454864 267620940 /nfs/dbraw/zinc/62/09/40/267620940.db2.gz MSWSFFAUNORBMX-AWEZNQCLSA-N 0 0 325.347 2.000 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188302201 267748769 /nfs/dbraw/zinc/74/87/69/267748769.db2.gz ULHUMEDQYPVTEL-LBPRGKRZSA-N 0 0 338.367 1.653 10 0 EDAERN COC(=O)NCCC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091766603 272917185 /nfs/dbraw/zinc/91/71/85/272917185.db2.gz DUJWYJILCUSTDN-GWCFXTLKSA-N 0 0 328.315 1.345 10 0 EDAERN Cc1cc(N2CCO[C@H](Cn3cccn3)C2)nc(-c2ccncc2)n1 ZINC000108949397 272923486 /nfs/dbraw/zinc/92/34/86/272923486.db2.gz FOEBSIWUERMDNG-INIZCTEOSA-N 0 0 336.399 1.949 10 0 EDAERN O=C(c1nc2sccn2c1CN1CCCC[C@@H]1CO)N1CCCC1 ZINC000020210182 275016302 /nfs/dbraw/zinc/01/63/02/275016302.db2.gz RVOSZCCFFRFZSB-CYBMUJFWSA-N 0 0 348.472 1.979 10 0 EDAERN CC1=C(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)[C@H](C)n2ncnc2N1C ZINC000195296209 276174084 /nfs/dbraw/zinc/17/40/84/276174084.db2.gz ZVFXXJLBGVFYMK-NWDGAFQWSA-N 0 0 349.435 1.752 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCC(C)(O)CC2)[C@H]1c1ccccc1 ZINC000177780346 276874258 /nfs/dbraw/zinc/87/42/58/276874258.db2.gz SHCGHVAUHWKBDC-DOTOQJQBSA-N 0 0 330.428 1.970 10 0 EDAERN CC(C)c1nccc(C(=O)N2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091664517 278080678 /nfs/dbraw/zinc/08/06/78/278080678.db2.gz RWTLLINWFZYHDP-SFHVURJKSA-N 0 0 346.431 1.047 10 0 EDAERN CC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)C(C)(C)c1ccccc1 ZINC000193337200 288027078 /nfs/dbraw/zinc/02/70/78/288027078.db2.gz QGPMFBHZMBOAHU-ZACQAIPSSA-N 0 0 332.444 1.841 10 0 EDAERN CC1(C)CN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CCO1 ZINC000079015648 278305671 /nfs/dbraw/zinc/30/56/71/278305671.db2.gz HPCGOMOSBOOGFI-CYBMUJFWSA-N 0 0 338.429 1.726 10 0 EDAERN NC(=O)c1cc([C@@H]2CCCN(c3cnc4c(n3)CCCC4)C2)n[nH]1 ZINC000333882495 279597674 /nfs/dbraw/zinc/59/76/74/279597674.db2.gz DXYFEBSBPVYUGP-LLVKDONJSA-N 0 0 326.404 1.561 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2nccs2)C12CCOCC2 ZINC000185596339 279808140 /nfs/dbraw/zinc/80/81/40/279808140.db2.gz NUIQPBPNCYTZNI-VXGBXAGGSA-N 0 0 325.434 1.917 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)C[C@]12CCCO2 ZINC000333630291 280050779 /nfs/dbraw/zinc/05/07/79/280050779.db2.gz BEMONLLYAINPIN-MUQADHOPSA-N 0 0 339.480 1.695 10 0 EDAERN CC[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000246861021 280170749 /nfs/dbraw/zinc/17/07/49/280170749.db2.gz SKOVZASYNXCDHA-KGLIPLIRSA-N 0 0 339.823 1.093 10 0 EDAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1-c1cc(C)ccc1C ZINC000091781478 280208343 /nfs/dbraw/zinc/20/83/43/280208343.db2.gz VJACDIKHXYFSHF-MRXNPFEDSA-N 0 0 342.399 1.124 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCN3C(=O)NC[C@H]3C1)[C@@H](C)C2 ZINC000248405931 281106732 /nfs/dbraw/zinc/10/67/32/281106732.db2.gz BKNAWEDGDXBXJC-DUVNUKRYSA-N 0 0 328.416 1.647 10 0 EDAERN Cn1c(CN2C[C@@H](c3ccccc3)OCC2(C)C)cc(=O)n(C)c1=O ZINC000066897013 294155345 /nfs/dbraw/zinc/15/53/45/294155345.db2.gz WRBJUGKBLOWJDE-INIZCTEOSA-N 0 0 343.427 1.436 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)c(F)cc1F ZINC000192200075 295158324 /nfs/dbraw/zinc/15/83/24/295158324.db2.gz QIYHNUVSPQRLLA-SNVBAGLBSA-N 0 0 349.131 1.054 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000180498512 295159094 /nfs/dbraw/zinc/15/90/94/295159094.db2.gz UVACBMYWFCKTLM-SNVBAGLBSA-N 0 0 336.697 1.685 10 0 EDAERN C[C@@H]1C[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000183047587 297198569 /nfs/dbraw/zinc/19/85/69/297198569.db2.gz WZTKQNCBDOYQOJ-ZIAGYGMSSA-N 0 0 330.494 1.943 10 0 EDAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)cc1Br ZINC000091784362 301106285 /nfs/dbraw/zinc/10/62/85/301106285.db2.gz WZECPIKZPMSSFY-LBPRGKRZSA-N 0 0 341.205 1.392 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2sc(C)nc2C)n1 ZINC000186347464 302856671 /nfs/dbraw/zinc/85/66/71/302856671.db2.gz SPFRMMVLEQIWAC-SNVBAGLBSA-N 0 0 344.418 1.214 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000329358950 302874241 /nfs/dbraw/zinc/87/42/41/302874241.db2.gz BQIBTOJDEATTLT-KSSFIOAISA-N 0 0 345.399 1.865 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)NCCCOC(C)C)CC2)n1 ZINC000171897471 302945557 /nfs/dbraw/zinc/94/55/57/302945557.db2.gz AZSWAOMIMDWNFF-CYBMUJFWSA-N 0 0 339.440 1.581 10 0 EDAERN O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000069480216 303900584 /nfs/dbraw/zinc/90/05/84/303900584.db2.gz PRJRSXSEPJCCQT-NXOAAHMSSA-N 0 0 348.468 1.168 10 0 EDAERN COCC(=O)NC1CN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)C1 ZINC000492686124 305597065 /nfs/dbraw/zinc/59/70/65/305597065.db2.gz BLULFXRCDOJDJW-WAYWQWQTSA-N 0 0 337.445 1.427 10 0 EDAERN O=S(=O)(c1ccc(OC[C@@H]2CO2)c(Cl)c1)N1CCOCC1 ZINC000004142008 440913002 /nfs/dbraw/zinc/91/30/02/440913002.db2.gz KBHVUJGCZXFVTR-JTQLQIEISA-N 0 0 333.793 1.139 10 0 EDAERN CCOC(=O)[C@@](NC(=O)Nc1cc(C)ccn1)(OC)C(F)(F)F ZINC000005656551 440963361 /nfs/dbraw/zinc/96/33/61/440963361.db2.gz JVACRYAHZQSPNZ-GFCCVEGCSA-N 0 0 335.282 1.980 10 0 EDAERN CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](NC(C)=O)C(C)C)c1 ZINC000046022851 441070252 /nfs/dbraw/zinc/07/02/52/441070252.db2.gz WWWYNLCCFLKZNO-ZDUSSCGKSA-N 0 0 325.796 1.799 10 0 EDAERN C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000097941087 441145780 /nfs/dbraw/zinc/14/57/80/441145780.db2.gz SXBQHQSTHYIDHL-TZMCWYRMSA-N 0 0 338.371 1.590 10 0 EDAERN COCCc1noc(COC2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000097942486 441146315 /nfs/dbraw/zinc/14/63/15/441146315.db2.gz IPVVJBPCPDFZIP-UHFFFAOYSA-N 0 0 335.360 1.673 10 0 EDAERN Cn1cccc1C(=O)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097945181 441147413 /nfs/dbraw/zinc/14/74/13/441147413.db2.gz SDPBMOMMSZVAPT-KRWDZBQOSA-N 0 0 344.459 1.184 10 0 EDAERN COC[C@@H](C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000103386696 441179970 /nfs/dbraw/zinc/17/99/70/441179970.db2.gz JLCFCHPQSGVZQC-GFCCVEGCSA-N 0 0 342.461 1.662 10 0 EDAERN CC(=O)Nc1ccc(CCNC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000103619402 441184685 /nfs/dbraw/zinc/18/46/85/441184685.db2.gz SMPLDXDRAMJIMV-KRWDZBQOSA-N 0 0 346.431 1.498 10 0 EDAERN C[C@@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1Br ZINC000047666109 441217335 /nfs/dbraw/zinc/21/73/35/441217335.db2.gz UEQIHZUIHULSFB-SECBINFHSA-N 0 0 349.250 1.566 10 0 EDAERN Cc1noc([C@H](C)N2CCN(CC(=O)N(CC(C)C)C3CC3)CC2)n1 ZINC000105864718 441295204 /nfs/dbraw/zinc/29/52/04/441295204.db2.gz RKVUESBJOGXOFZ-AWEZNQCLSA-N 0 0 349.479 1.704 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000081450655 441271431 /nfs/dbraw/zinc/27/14/31/441271431.db2.gz PSMZZOKWRDGNNI-LBPRGKRZSA-N 0 0 345.403 1.393 10 0 EDAERN Cc1ccc(C(=O)NCCNC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000081494524 441277594 /nfs/dbraw/zinc/27/75/94/441277594.db2.gz XNACTWPSWVIZMS-JKSUJKDBSA-N 0 0 333.432 1.575 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CC(=O)N[C@H](C)C(C)C)CC2)n1 ZINC000106153947 441327575 /nfs/dbraw/zinc/32/75/75/441327575.db2.gz YUVIBRPJRPPEFO-OAHLLOKOSA-N 0 0 349.479 1.466 10 0 EDAERN Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000048805290 441333528 /nfs/dbraw/zinc/33/35/28/441333528.db2.gz JHTCJIJBTJERED-CYBMUJFWSA-N 0 0 339.395 1.839 10 0 EDAERN CC(C)NC(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105868871 441298649 /nfs/dbraw/zinc/29/86/49/441298649.db2.gz XLROJRYAXJDPOY-UHFFFAOYSA-N 0 0 342.443 1.984 10 0 EDAERN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1nnnn1-c1ccccc1)CC2 ZINC000105873465 441303131 /nfs/dbraw/zinc/30/31/31/441303131.db2.gz DUKAOCLHVLQOFX-OLZOCXBDSA-N 0 0 338.419 1.482 10 0 EDAERN CC(=O)N[C@@H](C)C(=O)N1CCc2[nH]nc(Cc3ccccc3)c2C1 ZINC000048501551 441310103 /nfs/dbraw/zinc/31/01/03/441310103.db2.gz YFIBNNZMEHTKLT-LBPRGKRZSA-N 0 0 326.400 1.410 10 0 EDAERN Cc1cccc(OC[C@@H](O)CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000105903992 441314649 /nfs/dbraw/zinc/31/46/49/441314649.db2.gz QETWCRCKDRRDNV-WMZOPIPTSA-N 0 0 331.416 1.332 10 0 EDAERN COCCN1CCN(CC(=O)N(C)Cc2cccs2)C[C@@H]1C ZINC000105913946 441315073 /nfs/dbraw/zinc/31/50/73/441315073.db2.gz POQBXGPZYIYEAG-AWEZNQCLSA-N 0 0 325.478 1.359 10 0 EDAERN CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000083605148 441365657 /nfs/dbraw/zinc/36/56/57/441365657.db2.gz SBNWNBNTWGEOFL-ZDUSSCGKSA-N 0 0 342.461 1.838 10 0 EDAERN Cc1cc([C@@](C)(O)CNC(=O)N[C@@H]2CCCn3nc(C)nc32)c(C)o1 ZINC000083742522 441374353 /nfs/dbraw/zinc/37/43/53/441374353.db2.gz KVDKJOINIAYTRK-PBHICJAKSA-N 0 0 347.419 1.838 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1ccccc1F ZINC000083741712 441374359 /nfs/dbraw/zinc/37/43/59/441374359.db2.gz XKSXUDPBPFRAAC-KGLIPLIRSA-N 0 0 333.367 1.593 10 0 EDAERN COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)Cc1ccco1 ZINC000027914251 441417884 /nfs/dbraw/zinc/41/78/84/441417884.db2.gz FUXLBWSHSHHBIG-UHFFFAOYSA-N 0 0 338.385 1.273 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000108278852 441440436 /nfs/dbraw/zinc/44/04/36/441440436.db2.gz JQRDCOQDRUBHES-ZDUSSCGKSA-N 0 0 335.429 1.932 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)cn1 ZINC000109276899 441493383 /nfs/dbraw/zinc/49/33/83/441493383.db2.gz LFOMJEZACLNUED-MRXNPFEDSA-N 0 0 326.400 1.965 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cccc(OC)c1 ZINC000088196449 441494654 /nfs/dbraw/zinc/49/46/54/441494654.db2.gz HFJQGSXHAIXHBR-CQSZACIVSA-N 0 0 330.388 1.879 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([S@](C)=O)cc1 ZINC000088199855 441495431 /nfs/dbraw/zinc/49/54/31/441495431.db2.gz CDUHGDSBGRPXLT-ZAMGYDSWSA-N 0 0 332.429 1.843 10 0 EDAERN Cc1ccn2c(c1)nnc2NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000088253405 441501405 /nfs/dbraw/zinc/50/14/05/441501405.db2.gz BYNBFWSGGCKRSS-OAHLLOKOSA-N 0 0 331.420 2.163 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)o1 ZINC000086445565 441466163 /nfs/dbraw/zinc/46/61/63/441466163.db2.gz MUCHBBSWYSNHJM-LLVKDONJSA-N 0 0 340.343 1.380 10 0 EDAERN CC(C)(NC(=O)[C@@H]1CNC(=O)C1)c1ccc(Br)cc1 ZINC000110353496 441517396 /nfs/dbraw/zinc/51/73/96/441517396.db2.gz BEAVZOPZVXJQGZ-VIFPVBQESA-N 0 0 325.206 1.937 10 0 EDAERN Cc1ccc(OCCCNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112747535 441558091 /nfs/dbraw/zinc/55/80/91/441558091.db2.gz DTRSXXCNWSEKHV-AWEZNQCLSA-N 0 0 329.404 1.670 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000054814737 441599909 /nfs/dbraw/zinc/59/99/09/441599909.db2.gz LGBSXHRRJWVHME-QGZVFWFLSA-N 0 0 340.427 1.884 10 0 EDAERN CCc1nnc(CS(=O)(=O)c2ncc(-c3ccccc3)n2C)n1C ZINC000090989043 441647099 /nfs/dbraw/zinc/64/70/99/441647099.db2.gz PHHNZVINZXOFTF-UHFFFAOYSA-N 0 0 345.428 1.752 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)CC2 ZINC000114867159 441693719 /nfs/dbraw/zinc/69/37/19/441693719.db2.gz SGXXGAGMPAKZLV-DGCLKSJQSA-N 0 0 332.379 1.878 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)Cc1ccc(O)cc1)CC2 ZINC000114941944 441700591 /nfs/dbraw/zinc/70/05/91/441700591.db2.gz YENBMTCZLGUCBU-JSGCOSHPSA-N 0 0 343.431 1.791 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ncccc3C)C2=O)n(C)n1 ZINC000173320081 441712717 /nfs/dbraw/zinc/71/27/17/441712717.db2.gz LGWLEBDSQAFVDB-CYBMUJFWSA-N 0 0 342.403 1.749 10 0 EDAERN COCC(=O)N(C)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000136671408 441712922 /nfs/dbraw/zinc/71/29/22/441712922.db2.gz GULXNDLSXGEBSG-CYBMUJFWSA-N 0 0 330.388 1.154 10 0 EDAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C[C@@H](O)COCc1ccccc1 ZINC000114563111 441668053 /nfs/dbraw/zinc/66/80/53/441668053.db2.gz FTRDEOLQOGZUOE-IIAWOOMASA-N 0 0 329.462 1.318 10 0 EDAERN Cn1cc(CN2CCCN(Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000121595525 441738555 /nfs/dbraw/zinc/73/85/55/441738555.db2.gz IVGFFKHFSVDNNN-UHFFFAOYSA-N 0 0 333.461 1.288 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccco2)ncn1 ZINC000173415652 441741498 /nfs/dbraw/zinc/74/14/98/441741498.db2.gz OPGHCHZVCAPZFD-CYBMUJFWSA-N 0 0 344.419 1.922 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000091784305 441742411 /nfs/dbraw/zinc/74/24/11/441742411.db2.gz XWUBNPFBTNQPAY-LBPRGKRZSA-N 0 0 338.816 1.810 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC2(O)CCCC2)ncn1 ZINC000173424417 441745491 /nfs/dbraw/zinc/74/54/91/441745491.db2.gz KRPMHDLCNGOQLQ-ZDUSSCGKSA-N 0 0 348.451 1.091 10 0 EDAERN CC(C)(C)c1nnc(NC(=O)CN2CCC[C@H](n3cncn3)C2)s1 ZINC000137097899 441745994 /nfs/dbraw/zinc/74/59/94/441745994.db2.gz PNNTVLZCFCAFLS-NSHDSACASA-N 0 0 349.464 1.703 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc3nncn3c1)CC2 ZINC000136835143 441727425 /nfs/dbraw/zinc/72/74/25/441727425.db2.gz PONORSDWNOUQPA-LBPRGKRZSA-N 0 0 325.376 1.189 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1nnc2n1CCCC2 ZINC000121771209 441776785 /nfs/dbraw/zinc/77/67/85/441776785.db2.gz LVXQHULNNULSMA-VIFPVBQESA-N 0 0 342.371 1.932 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc(-n4cccn4)c3)CCO2)[nH]1 ZINC000173519417 441777058 /nfs/dbraw/zinc/77/70/58/441777058.db2.gz YKIUGMNBQIBVGX-HNNXBMFYSA-N 0 0 338.371 1.513 10 0 EDAERN C[C@@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)[C@H]1CCCO1 ZINC000115801511 441778756 /nfs/dbraw/zinc/77/87/56/441778756.db2.gz MUTXVMHSPNZEOV-GDBMZVCRSA-N 0 0 335.452 1.205 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173529477 441779588 /nfs/dbraw/zinc/77/95/88/441779588.db2.gz ISLNRJYLDXOFBM-ZDUSSCGKSA-N 0 0 337.424 1.052 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Cn3c(=O)cnc4ccccc43)C2)cn1 ZINC000116114349 441794331 /nfs/dbraw/zinc/79/43/31/441794331.db2.gz CJEGZMDXLDQZPG-ZDUSSCGKSA-N 0 0 337.383 1.146 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Cn3ccc4ccccc43)CCO2)[nH]1 ZINC000173571157 441795181 /nfs/dbraw/zinc/79/51/81/441795181.db2.gz SYUPTUPOJZIDKF-OAHLLOKOSA-N 0 0 339.399 1.922 10 0 EDAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000092465798 441799654 /nfs/dbraw/zinc/79/96/54/441799654.db2.gz AXXHSJGXCCISJK-NWDGAFQWSA-N 0 0 329.422 1.372 10 0 EDAERN O=C(N[C@@H](CCCO)c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173911396 441859919 /nfs/dbraw/zinc/85/99/19/441859919.db2.gz DCXIPPNTXIJKRC-ROUUACIJSA-N 0 0 347.459 1.616 10 0 EDAERN Cc1n[nH]cc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000122721092 441860000 /nfs/dbraw/zinc/86/00/00/441860000.db2.gz HLPIULFQUAIBAS-KRWDZBQOSA-N 0 0 330.432 1.276 10 0 EDAERN O[C@@H](COc1ccccc1)CN1CCN(Cc2csnn2)CC1 ZINC000122710823 441860244 /nfs/dbraw/zinc/86/02/44/441860244.db2.gz GYIUESXGDKXPPX-OAHLLOKOSA-N 0 0 334.445 1.096 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc(-n3nccn3)cc2)C[C@@H]1C ZINC000117444306 441872575 /nfs/dbraw/zinc/87/25/75/441872575.db2.gz BOXAOIAZGBSQJM-AWEZNQCLSA-N 0 0 344.419 1.452 10 0 EDAERN OCCOCCN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000173689338 441823599 /nfs/dbraw/zinc/82/35/99/441823599.db2.gz DKAWFRMYRMKTGQ-UHFFFAOYSA-N 0 0 331.416 1.468 10 0 EDAERN O=C(Nc1c(F)cccc1F)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173697962 441825236 /nfs/dbraw/zinc/82/52/36/441825236.db2.gz HLIILKHVHRCUPT-SNVBAGLBSA-N 0 0 335.314 1.359 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCCOC[C@@H]3CCCO3)C2)cn1 ZINC000116524565 441827365 /nfs/dbraw/zinc/82/73/65/441827365.db2.gz SKNHNGUSZDTXCN-ZBFHGGJFSA-N 0 0 336.436 1.505 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3ccc(C)nc3)CCO2)[nH]1 ZINC000140004210 441830978 /nfs/dbraw/zinc/83/09/78/441830978.db2.gz ITTBOMZEENMRMD-CQSZACIVSA-N 0 0 344.419 1.396 10 0 EDAERN Cc1cc(C)n(CC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 ZINC000116776069 441841809 /nfs/dbraw/zinc/84/18/09/441841809.db2.gz YXZHKMAPROHOAE-MRXNPFEDSA-N 0 0 330.436 1.647 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000122299279 441844076 /nfs/dbraw/zinc/84/40/76/441844076.db2.gz FOIJKKHLXKDJMN-SNVBAGLBSA-N 0 0 327.319 1.004 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 ZINC000116780709 441844430 /nfs/dbraw/zinc/84/44/30/441844430.db2.gz XSJZKFDJHAEUPB-MRXNPFEDSA-N 0 0 330.436 1.500 10 0 EDAERN COc1cccc(OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173841076 441848733 /nfs/dbraw/zinc/84/87/33/441848733.db2.gz XOJNWNVURASYJZ-PBHICJAKSA-N 0 0 334.416 1.253 10 0 EDAERN Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)cc12 ZINC000173841721 441848965 /nfs/dbraw/zinc/84/89/65/441848965.db2.gz SJIFSAVOSQFNST-WBMJQRKESA-N 0 0 343.431 1.069 10 0 EDAERN C[C@H]1CN(C(=O)COc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000173848900 441850288 /nfs/dbraw/zinc/85/02/88/441850288.db2.gz GRTPZJQIGGGPRQ-BBRMVZONSA-N 0 0 338.835 1.898 10 0 EDAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000173855017 441851641 /nfs/dbraw/zinc/85/16/41/441851641.db2.gz GGPDJBVTGGXHGY-UHFFFAOYSA-N 0 0 344.390 1.577 10 0 EDAERN O=C(NCC1(c2cccc(F)c2)CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173893613 441857048 /nfs/dbraw/zinc/85/70/48/441857048.db2.gz OYUARBHMSVDTMV-KRWDZBQOSA-N 0 0 347.434 1.973 10 0 EDAERN CCc1nc(C2(NC[C@H](O)COC[C@@H]3CCCO3)CCCC2)no1 ZINC000174234861 441905988 /nfs/dbraw/zinc/90/59/88/441905988.db2.gz QLFVEGQNQGINDC-KBPBESRZSA-N 0 0 339.436 1.547 10 0 EDAERN CCc1nc(C2(NC[C@@H](O)COC[C@H]3CCCO3)CCCC2)no1 ZINC000174234891 441905997 /nfs/dbraw/zinc/90/59/97/441905997.db2.gz QLFVEGQNQGINDC-ZIAGYGMSSA-N 0 0 339.436 1.547 10 0 EDAERN COc1ccc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)nn1 ZINC000119047885 441914973 /nfs/dbraw/zinc/91/49/73/441914973.db2.gz UNMSTSFXQFISOT-ZDUSSCGKSA-N 0 0 330.392 1.246 10 0 EDAERN O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H](n2cncn2)C1 ZINC000174114850 441889825 /nfs/dbraw/zinc/88/98/25/441889825.db2.gz KPDWPDXQZIHKKV-ZDUSSCGKSA-N 0 0 329.360 1.918 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2N2CCCC2)c1 ZINC000118133876 441890648 /nfs/dbraw/zinc/89/06/48/441890648.db2.gz VWTDDDRPJOLIRN-UHFFFAOYSA-N 0 0 341.415 1.547 10 0 EDAERN Cn1c(CSc2nnc(-c3ccccn3)n2N)nnc1C1CC1 ZINC000118184785 441892173 /nfs/dbraw/zinc/89/21/73/441892173.db2.gz FZYSBKGFKARAIS-UHFFFAOYSA-N 0 0 328.405 1.352 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2cccnc2OCC(F)F)C1 ZINC000123704618 441895796 /nfs/dbraw/zinc/89/57/96/441895796.db2.gz WSYZMNDTBAXRAD-JTQLQIEISA-N 0 0 330.335 1.178 10 0 EDAERN CC(C)n1ncc2cc([C@H]3NC(=O)[C@H]4COCCN43)c(Cl)nc21 ZINC000093885337 441898087 /nfs/dbraw/zinc/89/80/87/441898087.db2.gz PFMDUFICADFQJK-RISCZKNCSA-N 0 0 335.795 1.495 10 0 EDAERN Cn1cc([C@@H](O)CNc2nc(-c3ccncc3)nc3c2CCC3)cn1 ZINC000078374839 441926127 /nfs/dbraw/zinc/92/61/27/441926127.db2.gz MQNAGWPBSQWHST-INIZCTEOSA-N 0 0 336.399 1.906 10 0 EDAERN C[C@@H](CC(=O)N[C@H]1CCc2ncnn2C1)C(=O)c1cccc(F)c1 ZINC000174816344 441972001 /nfs/dbraw/zinc/97/20/01/441972001.db2.gz BCLZNDLHJXFDNF-FZMZJTMJSA-N 0 0 330.363 1.757 10 0 EDAERN C[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCCO1 ZINC000119927146 441977304 /nfs/dbraw/zinc/97/73/04/441977304.db2.gz YKHPIDJAYSMJPH-XJKSGUPXSA-N 0 0 335.429 1.777 10 0 EDAERN CCOC(=O)CSc1cncc(N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000124524299 441933534 /nfs/dbraw/zinc/93/35/34/441933534.db2.gz LJDGBTITVXALMY-LBPRGKRZSA-N 0 0 347.444 1.859 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1nc[nH]n1)C(C)C ZINC000174535733 441935888 /nfs/dbraw/zinc/93/58/88/441935888.db2.gz SFRQBIURBWTRCD-JSGCOSHPSA-N 0 0 329.404 1.745 10 0 EDAERN COc1cccc(F)c1[C@H](C)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000175002600 441994703 /nfs/dbraw/zinc/99/47/03/441994703.db2.gz ORQPVMDYABDQEA-STQMWFEESA-N 0 0 339.411 1.915 10 0 EDAERN CN1CCOc2ccc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)cc21 ZINC000175097972 442003364 /nfs/dbraw/zinc/00/33/64/442003364.db2.gz BRBYWYIKGADICZ-OAHLLOKOSA-N 0 0 346.431 1.454 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCn1c(C)c(C)sc1=O ZINC000151096350 442004876 /nfs/dbraw/zinc/00/48/76/442004876.db2.gz YMNPQWOHHIOVFF-LBPRGKRZSA-N 0 0 349.460 1.722 10 0 EDAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000175120467 442006875 /nfs/dbraw/zinc/00/68/75/442006875.db2.gz IJIOWXNQPFRTNL-AWEZNQCLSA-N 0 0 329.466 1.837 10 0 EDAERN C[C@H](NC(=O)[C@H]1CNC(=O)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000151168623 442018057 /nfs/dbraw/zinc/01/80/57/442018057.db2.gz BXYKHTAMAVBPEW-JOQOYGCGSA-N 0 0 346.427 1.564 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@@H](C)N1CCSCC1)c1ccccc1 ZINC000151267855 442033599 /nfs/dbraw/zinc/03/35/99/442033599.db2.gz XSKUCALNNWLJIN-UKRRQHHQSA-N 0 0 336.457 1.844 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000151441377 442063509 /nfs/dbraw/zinc/06/35/09/442063509.db2.gz YFQQAMUUEDCLCG-HNAYVOBHSA-N 0 0 346.427 1.708 10 0 EDAERN COCCN1CCN(C(=O)NCc2nccn2CC(C)C)C[C@@H]1C ZINC000175476098 442070421 /nfs/dbraw/zinc/07/04/21/442070421.db2.gz HYSHAEDUWDWCMN-HNNXBMFYSA-N 0 0 337.468 1.401 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCC2)C1 ZINC000120470204 442078154 /nfs/dbraw/zinc/07/81/54/442078154.db2.gz CJBGMXVUYHGWEB-GFCCVEGCSA-N 0 0 347.440 1.516 10 0 EDAERN Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCn3ncnc32)cc1C ZINC000175821868 442128543 /nfs/dbraw/zinc/12/85/43/442128543.db2.gz XCRKVGIOPYBAEH-CQSZACIVSA-N 0 0 327.388 1.276 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000175861927 442136636 /nfs/dbraw/zinc/13/66/36/442136636.db2.gz ZDXJMINJKQJLSX-HUUCEWRRSA-N 0 0 329.404 1.763 10 0 EDAERN CNC(=O)Cc1noc([C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000162997429 442137452 /nfs/dbraw/zinc/13/74/52/442137452.db2.gz XFUFZMAFKXDORW-WDEREUQCSA-N 0 0 338.408 1.909 10 0 EDAERN C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(F)c(F)c1 ZINC000126299740 442097088 /nfs/dbraw/zinc/09/70/88/442097088.db2.gz KWOGLLHXJZHOLC-NSHDSACASA-N 0 0 325.359 1.354 10 0 EDAERN O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N1CCC[C@H]1CO ZINC000121013270 442165843 /nfs/dbraw/zinc/16/58/43/442165843.db2.gz LBQCPUZGRVBDEP-ZDUSSCGKSA-N 0 0 336.363 1.536 10 0 EDAERN C[C@@H](NC(=O)N[C@H](CO)c1ccccc1)c1nnc2n1CCCC2 ZINC000121326241 442204032 /nfs/dbraw/zinc/20/40/32/442204032.db2.gz DEBXTYHGPPUFMD-TZMCWYRMSA-N 0 0 329.404 1.708 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000163578224 442174602 /nfs/dbraw/zinc/17/46/02/442174602.db2.gz QYDGNIGBLXFWSB-JTQLQIEISA-N 0 0 344.289 1.597 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](O)c1cccc(OC)c1 ZINC000121232895 442194608 /nfs/dbraw/zinc/19/46/08/442194608.db2.gz PLBHMBZJHIUKSH-ZFWWWQNUSA-N 0 0 330.388 1.534 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cn2c(n1)CCCC2 ZINC000097000831 442154020 /nfs/dbraw/zinc/15/40/20/442154020.db2.gz PEWYHOYZMQTEJX-UHFFFAOYSA-N 0 0 343.840 1.393 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000163288514 442155485 /nfs/dbraw/zinc/15/54/85/442155485.db2.gz FEZYOOLCSAEBOX-SNVBAGLBSA-N 0 0 330.344 1.133 10 0 EDAERN CC(C)CCn1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)nn1 ZINC000152035466 442157012 /nfs/dbraw/zinc/15/70/12/442157012.db2.gz JBJKWRHEPXURHL-AWEZNQCLSA-N 0 0 343.435 1.513 10 0 EDAERN C[C@@H](CNC(=O)N1CCC(Cn2cccn2)CC1)CN1CCOCC1 ZINC000163411972 442163826 /nfs/dbraw/zinc/16/38/26/442163826.db2.gz WJKWRKUCYUKAJW-INIZCTEOSA-N 0 0 349.479 1.273 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cccc(N(C)C)n3)CCO2)[nH]1 ZINC000152905885 442250990 /nfs/dbraw/zinc/25/09/90/442250990.db2.gz BHYICMBWTPHMJD-NSHDSACASA-N 0 0 331.380 1.180 10 0 EDAERN CCOC(=O)CNC(=O)[C@@H](Br)CCBr ZINC000166653549 442217543 /nfs/dbraw/zinc/21/75/43/442217543.db2.gz UTOBIGIPSJPXEX-LURJTMIESA-N 0 0 331.004 1.214 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1cccc(-n2ccnc2)c1 ZINC000176433003 442221181 /nfs/dbraw/zinc/22/11/81/442221181.db2.gz GWGSJVHYHMUUAO-YOEHRIQHSA-N 0 0 343.431 1.563 10 0 EDAERN O=C(c1ccccc1I)N1CCO[C@H](CO)C1 ZINC000168050156 442222967 /nfs/dbraw/zinc/22/29/67/442222967.db2.gz ZCCFXQYVWDPHKQ-VIFPVBQESA-N 0 0 347.152 1.125 10 0 EDAERN CC(C)C[C@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1Cl)C(=O)[O-] ZINC000169319103 442226384 /nfs/dbraw/zinc/22/63/84/442226384.db2.gz KYVSFWJABFCUSB-RDBSUJKOSA-N 0 0 342.823 1.186 10 0 EDAERN Cc1cnn(CCNC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000152618013 442231343 /nfs/dbraw/zinc/23/13/43/442231343.db2.gz CZUORJCAJXHFDY-UHFFFAOYSA-N 0 0 339.440 1.794 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCCCN1CCOCC1 ZINC000177146260 442304653 /nfs/dbraw/zinc/30/46/53/442304653.db2.gz OVRNWCOVCRAYEO-QGZVFWFLSA-N 0 0 334.464 1.685 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000153311215 442274419 /nfs/dbraw/zinc/27/44/19/442274419.db2.gz CBNCPZSXUUTARK-ZDUSSCGKSA-N 0 0 344.415 1.058 10 0 EDAERN CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@@H](C)C(C)C)c1 ZINC000176926871 442274859 /nfs/dbraw/zinc/27/48/59/442274859.db2.gz QQVGAKBOAWXOKW-NSHDSACASA-N 0 0 330.392 1.459 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(c2cccs2)CC1 ZINC000153337983 442276053 /nfs/dbraw/zinc/27/60/53/442276053.db2.gz PIUIYSJZJMFISQ-LBPRGKRZSA-N 0 0 332.433 1.706 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccccc3N(C)C)CCO2)[nH]1 ZINC000176995233 442282089 /nfs/dbraw/zinc/28/20/89/442282089.db2.gz KKGBSTIFNKNCHJ-AWEZNQCLSA-N 0 0 330.392 1.785 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCOc1ccc(F)cc1F ZINC000170946485 442292794 /nfs/dbraw/zinc/29/27/94/442292794.db2.gz JPOIMFJKTILJSR-SNVBAGLBSA-N 0 0 338.310 1.871 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCNC(=O)C(C)(C)C ZINC000128887893 442293221 /nfs/dbraw/zinc/29/32/21/442293221.db2.gz RQWCGNPZKIFZKV-LBPRGKRZSA-N 0 0 334.420 1.475 10 0 EDAERN CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000171065222 442305792 /nfs/dbraw/zinc/30/57/92/442305792.db2.gz XAGQTUMYROITIG-FZMZJTMJSA-N 0 0 326.418 1.278 10 0 EDAERN C[C@H]1COC[C@H](C)N1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000177125151 442300568 /nfs/dbraw/zinc/30/05/68/442300568.db2.gz VCEYRUXTEOAPFJ-QWRGUYRKSA-N 0 0 332.383 1.946 10 0 EDAERN CN1CCO[C@H](CNC(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000171288649 442338673 /nfs/dbraw/zinc/33/86/73/442338673.db2.gz ANTSPUQKRYIOBX-CQSZACIVSA-N 0 0 332.429 1.194 10 0 EDAERN COCCn1cc(NC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)cn1 ZINC000171444876 442349072 /nfs/dbraw/zinc/34/90/72/442349072.db2.gz MIWZGVZCBXEHLJ-ZDUSSCGKSA-N 0 0 348.407 1.708 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)ccc1N(C)C ZINC000130666455 442352570 /nfs/dbraw/zinc/35/25/70/442352570.db2.gz TUXHOZBPBYTTNZ-DZGCQCFKSA-N 0 0 333.432 1.667 10 0 EDAERN O=C(CCCNC(=O)c1ccc(F)cc1)N[C@H]1CCCn2ncnc21 ZINC000177528278 442353552 /nfs/dbraw/zinc/35/35/52/442353552.db2.gz ABMSMZDOLQQKHR-AWEZNQCLSA-N 0 0 345.378 1.579 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC000154981513 442368431 /nfs/dbraw/zinc/36/84/31/442368431.db2.gz WCGVYQPQAYAYOT-FZMZJTMJSA-N 0 0 348.378 1.982 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000171706591 442372140 /nfs/dbraw/zinc/37/21/40/442372140.db2.gz XTJFQNGNWZDDMG-CYBMUJFWSA-N 0 0 328.416 1.566 10 0 EDAERN CC(C)NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171745141 442376475 /nfs/dbraw/zinc/37/64/75/442376475.db2.gz IOUGGJXDOBYSJN-RYUDHWBXSA-N 0 0 346.399 1.512 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)Nc3nnc(C)s3)CC2)n1 ZINC000171806190 442382607 /nfs/dbraw/zinc/38/26/07/442382607.db2.gz HZBXJBMDFMDOAY-QMMMGPOBSA-N 0 0 337.409 1.449 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)no1 ZINC000171864253 442386038 /nfs/dbraw/zinc/38/60/38/442386038.db2.gz QTAVEQLICWJIMJ-UHFFFAOYSA-N 0 0 346.435 1.747 10 0 EDAERN COc1ccc(CC(=O)N2CCOC[C@@H]2c2nc(C)no2)cc1F ZINC000155456519 442399900 /nfs/dbraw/zinc/39/99/00/442399900.db2.gz HMVSIBDYJPVYRA-CYBMUJFWSA-N 0 0 335.335 1.668 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccccc3F)CCO2)[nH]1 ZINC000178012856 442401754 /nfs/dbraw/zinc/40/17/54/442401754.db2.gz GFPHNUWORBLNSJ-ZDUSSCGKSA-N 0 0 333.367 1.789 10 0 EDAERN C[C@H](NC(=O)Nc1ccc(C(N)=O)cc1)c1nnc2n1CCCC2 ZINC000178010676 442401914 /nfs/dbraw/zinc/40/19/14/442401914.db2.gz JERSFMKPEJWAKA-JTQLQIEISA-N 0 0 328.376 1.596 10 0 EDAERN CCCS(=O)(=O)CCN1CCN(c2nc3ccccc3o2)CC1 ZINC000171559796 442357790 /nfs/dbraw/zinc/35/77/90/442357790.db2.gz VUKCKKRDDQLIFT-UHFFFAOYSA-N 0 0 337.445 1.775 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000154830165 442359080 /nfs/dbraw/zinc/35/90/80/442359080.db2.gz IFZVENZABHQMFL-UHFFFAOYSA-N 0 0 330.436 1.969 10 0 EDAERN C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)CCS1 ZINC000171582425 442359410 /nfs/dbraw/zinc/35/94/10/442359410.db2.gz HCXXZUWWWIHVDG-JTQLQIEISA-N 0 0 334.488 1.380 10 0 EDAERN O=C(N[C@H]1CCCOC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172134734 442413021 /nfs/dbraw/zinc/41/30/21/442413021.db2.gz UNMHJTIVGOHDIO-IRXDYDNUSA-N 0 0 333.432 1.226 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccs1 ZINC000172223171 442425973 /nfs/dbraw/zinc/42/59/73/442425973.db2.gz NVZSAXBZSAKUPP-JQWIXIFHSA-N 0 0 333.417 1.647 10 0 EDAERN COCCN1CCN(C(=O)c2csc(-c3cnccn3)n2)C[C@@H]1C ZINC000172228131 442426551 /nfs/dbraw/zinc/42/65/51/442426551.db2.gz WZDOHJJWLXTLEU-LBPRGKRZSA-N 0 0 347.444 1.393 10 0 EDAERN CCOc1cncc(N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)n1 ZINC000178355378 442427593 /nfs/dbraw/zinc/42/75/93/442427593.db2.gz POUUIKQIONRJBD-GFCCVEGCSA-N 0 0 330.392 1.525 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCCc3ccccn3)CCO2)[nH]1 ZINC000178420901 442431738 /nfs/dbraw/zinc/43/17/38/442431738.db2.gz FXEHNJPTSOZJQW-CQSZACIVSA-N 0 0 344.419 1.478 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccs1 ZINC000178694021 442457120 /nfs/dbraw/zinc/45/71/20/442457120.db2.gz KWWZFJZVFKMPGY-MNOVXSKESA-N 0 0 331.463 1.390 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCN(Cc2ccccc2C)CC1)C(C)C ZINC000178440260 442433723 /nfs/dbraw/zinc/43/37/23/442433723.db2.gz PHZHIRYUGBFXLY-QGZVFWFLSA-N 0 0 346.475 1.593 10 0 EDAERN CC(C)N(CC(F)F)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000178559558 442443810 /nfs/dbraw/zinc/44/38/10/442443810.db2.gz MQHBJBHKFMAZTB-NSHDSACASA-N 0 0 326.343 1.619 10 0 EDAERN Cc1noc2ncc(C(=O)N[C@@H]3CCc4nc(C(C)C)nn4C3)cc12 ZINC000134020655 442446031 /nfs/dbraw/zinc/44/60/31/442446031.db2.gz HKCAXHOESFKMRS-GFCCVEGCSA-N 0 0 340.387 1.991 10 0 EDAERN CC(=O)Nc1nc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cs1 ZINC000134018565 442446330 /nfs/dbraw/zinc/44/63/30/442446330.db2.gz MKJQBDJSYKGIEN-SNVBAGLBSA-N 0 0 348.432 1.561 10 0 EDAERN Cc1ccc(NCCCNC(=O)[C@@H](C)NC(=O)c2ccco2)nc1 ZINC000172399733 442454783 /nfs/dbraw/zinc/45/47/83/442454783.db2.gz LTDMJKXFIROKOO-CYBMUJFWSA-N 0 0 330.388 1.720 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccccc1-n1cccn1)C(C)C ZINC000178809889 442491097 /nfs/dbraw/zinc/49/10/97/442491097.db2.gz QPMCOKRYOFFRHZ-OAHLLOKOSA-N 0 0 329.404 1.442 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2nc3ncccn3n2)C12CCCC2 ZINC000172587696 442497727 /nfs/dbraw/zinc/49/77/27/442497727.db2.gz MJPIOSXCBHDVDJ-ZIAGYGMSSA-N 0 0 343.431 1.863 10 0 EDAERN Cc1c(C(=O)N2CCN3CCCC[C@H]3C2)cnn1C1CCOCC1 ZINC000179772237 442500370 /nfs/dbraw/zinc/50/03/70/442500370.db2.gz BANALHDUSIZJGA-INIZCTEOSA-N 0 0 332.448 1.853 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000156427757 442479337 /nfs/dbraw/zinc/47/93/37/442479337.db2.gz QLXXHXGECOISMK-KOLCDFICSA-N 0 0 332.372 1.902 10 0 EDAERN CO[C@@H](C)CNC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000191654321 442484435 /nfs/dbraw/zinc/48/44/35/442484435.db2.gz OJOCPGIZJIVMJC-NSHDSACASA-N 0 0 331.347 1.977 10 0 EDAERN O=C(CCCOc1ccccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767832 442539442 /nfs/dbraw/zinc/53/94/42/442539442.db2.gz XMQQHTNSCGNBIA-OAHLLOKOSA-N 0 0 336.407 1.918 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)/C=C/c3cncc(O)c3)CCO2)cn1 ZINC000191805552 442514448 /nfs/dbraw/zinc/51/44/48/442514448.db2.gz VEEYMEFLOAXBTH-CWDCEQMOSA-N 0 0 328.372 1.617 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@]1(O)CCOC1 ZINC000178912395 442523332 /nfs/dbraw/zinc/52/33/32/442523332.db2.gz IROFLBOSFNMDGL-DHSIGJKJSA-N 0 0 334.416 1.099 10 0 EDAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@H](N3CCOCC3)C1)C2 ZINC000172746663 442531953 /nfs/dbraw/zinc/53/19/53/442531953.db2.gz ZFFNDWVFFJDBTL-CVEARBPZSA-N 0 0 346.427 1.179 10 0 EDAERN CCc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1CC ZINC000180047307 442532723 /nfs/dbraw/zinc/53/27/23/442532723.db2.gz IYPYFOIQQCUCHI-INIZCTEOSA-N 0 0 333.432 1.197 10 0 EDAERN O=C(C[C@H]1CCOc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172748967 442532895 /nfs/dbraw/zinc/53/28/95/442532895.db2.gz MROQNKSNZWFWDU-CVEARBPZSA-N 0 0 330.428 1.876 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C)nc1Cl ZINC000192024888 442571823 /nfs/dbraw/zinc/57/18/23/442571823.db2.gz LZGIXLBXXBKPSU-JTQLQIEISA-N 0 0 341.824 1.757 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000172962136 442573657 /nfs/dbraw/zinc/57/36/57/442573657.db2.gz BYIPIRSYQKEHKF-GFCCVEGCSA-N 0 0 328.434 1.036 10 0 EDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ncoc1[C@@H]1CCCO1 ZINC000135271304 442574144 /nfs/dbraw/zinc/57/41/44/442574144.db2.gz VPWSKHSCPJCUDI-STQMWFEESA-N 0 0 343.387 1.715 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(F)cc2[nH]cnc21 ZINC000135279333 442575394 /nfs/dbraw/zinc/57/53/94/442575394.db2.gz IXOSLNIQNPITLB-GFCCVEGCSA-N 0 0 340.362 1.891 10 0 EDAERN CC(C)(C)c1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)[nH]n1 ZINC000135298368 442576891 /nfs/dbraw/zinc/57/68/91/442576891.db2.gz MRKPDAXZYZURPU-LBPRGKRZSA-N 0 0 328.420 1.896 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000135343424 442582879 /nfs/dbraw/zinc/58/28/79/442582879.db2.gz WBCFWBLOUBTQBO-CJNGLKHVSA-N 0 0 349.479 1.979 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000180392235 442593898 /nfs/dbraw/zinc/59/38/98/442593898.db2.gz AHTDSCRJTLFZFK-OAHLLOKOSA-N 0 0 346.435 1.771 10 0 EDAERN CC[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCN1CCOC ZINC000135462820 442598956 /nfs/dbraw/zinc/59/89/56/442598956.db2.gz ZNDOMWHDKSIHEJ-HNNXBMFYSA-N 0 0 343.431 1.450 10 0 EDAERN Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(=O)n(C)c1=O ZINC000173087609 442601269 /nfs/dbraw/zinc/60/12/69/442601269.db2.gz XIYUNDCGKCHAKO-VHSXEESVSA-N 0 0 335.310 1.104 10 0 EDAERN Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c(=O)n(C)c1=O ZINC000173087602 442601570 /nfs/dbraw/zinc/60/15/70/442601570.db2.gz XIYUNDCGKCHAKO-ZJUUUORDSA-N 0 0 335.310 1.104 10 0 EDAERN COCCOc1cc(C(=O)N2CCC(c3ccnn3C)CC2)ccn1 ZINC000180442964 442603761 /nfs/dbraw/zinc/60/37/61/442603761.db2.gz WQNPYSBECRPJTR-UHFFFAOYSA-N 0 0 344.415 1.860 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000186556257 442560174 /nfs/dbraw/zinc/56/01/74/442560174.db2.gz ABHAVJFCFJEFIN-AWEZNQCLSA-N 0 0 334.351 1.403 10 0 EDAERN O=C1O[C@H](CN2CCN(C[C@H](O)c3ccccc3)CC2)CC12CCC2 ZINC000192000445 442560944 /nfs/dbraw/zinc/56/09/44/442560944.db2.gz DXKHNWQSSPVMJO-ROUUACIJSA-N 0 0 344.455 1.823 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3)CCO2)[nH]1 ZINC000180226909 442562207 /nfs/dbraw/zinc/56/22/07/442562207.db2.gz XBADCXSAIYJHCK-GFCCVEGCSA-N 0 0 349.778 1.305 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cnc(-c2ccncc2)s1 ZINC000172920241 442567903 /nfs/dbraw/zinc/56/79/03/442567903.db2.gz UJOHXWKCMZODDC-LLVKDONJSA-N 0 0 326.385 1.541 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cncc(Cl)n1 ZINC000192330139 442635033 /nfs/dbraw/zinc/63/50/33/442635033.db2.gz CTARBNXIIYUITH-SNVBAGLBSA-N 0 0 337.788 1.779 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccnn3C(C)(C)C)C2)cn1 ZINC000180680533 442646945 /nfs/dbraw/zinc/64/69/45/442646945.db2.gz LBVZTVZLDNNCND-GFCCVEGCSA-N 0 0 344.419 1.326 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)c2c(C)nn(C)c2OC)C12CCOCC2 ZINC000187069118 442650606 /nfs/dbraw/zinc/65/06/06/442650606.db2.gz IJKDDFUIGRROPS-STQMWFEESA-N 0 0 337.420 1.441 10 0 EDAERN C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC(C)(C)C1 ZINC000180535754 442619006 /nfs/dbraw/zinc/61/90/06/442619006.db2.gz LEYBFLSMICWOBF-HZSPNIEDSA-N 0 0 330.494 1.989 10 0 EDAERN Cc1c(CNC(=O)N2CCC(Nc3cccnn3)CC2)cnn1C ZINC000179349931 442627662 /nfs/dbraw/zinc/62/76/62/442627662.db2.gz AUVJAKXLWIYYMN-UHFFFAOYSA-N 0 0 329.408 1.305 10 0 EDAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000187475595 442678450 /nfs/dbraw/zinc/67/84/50/442678450.db2.gz FCPSDZWHRKFHLR-ZJUUUORDSA-N 0 0 335.330 1.376 10 0 EDAERN CCc1cc(C(=O)N[C@H](CC(=O)OC)c2ccccc2)cc(=O)[nH]1 ZINC000181194681 442683781 /nfs/dbraw/zinc/68/37/81/442683781.db2.gz LIUQHWNJGXLNJU-OAHLLOKOSA-N 0 0 328.368 1.972 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)[C@@H](C)C2 ZINC000181242133 442686270 /nfs/dbraw/zinc/68/62/70/442686270.db2.gz JFCMUXMQTMIGJH-BONVTDFDSA-N 0 0 334.397 1.899 10 0 EDAERN C[C@H](NC(=O)NCC(=O)NCC1CC1)c1cccc(-n2ccnc2)c1 ZINC000181287408 442688741 /nfs/dbraw/zinc/68/87/41/442688741.db2.gz HKZDRIUJQZPRPW-ZDUSSCGKSA-N 0 0 341.415 1.759 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCCCOCCO)[C@H]1c1ccccc1 ZINC000181367518 442692798 /nfs/dbraw/zinc/69/27/98/442692798.db2.gz MCHRRRWXWNDBIX-NVXWUHKLSA-N 0 0 334.416 1.111 10 0 EDAERN CC(C)c1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000181471803 442699092 /nfs/dbraw/zinc/69/90/92/442699092.db2.gz PCADHTZGMHIFGL-BBRMVZONSA-N 0 0 333.432 1.703 10 0 EDAERN CN(C[C@@H](O)C(F)(F)F)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000181553323 442703637 /nfs/dbraw/zinc/70/36/37/442703637.db2.gz AIHJEQAOOMODIQ-NXEZZACHSA-N 0 0 340.342 1.768 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC2(CCO)CC2)[C@H]1c1ccc(F)cc1 ZINC000188039342 442704451 /nfs/dbraw/zinc/70/44/51/442704451.db2.gz QJYFSAXNAOSZML-GDBMZVCRSA-N 0 0 334.391 1.624 10 0 EDAERN CCCCc1nnc(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000136327442 442659702 /nfs/dbraw/zinc/65/97/02/442659702.db2.gz SUQVUJYLPINFKE-LLVKDONJSA-N 0 0 339.465 1.372 10 0 EDAERN Cc1ncc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(C)n1 ZINC000180922566 442669607 /nfs/dbraw/zinc/66/96/07/442669607.db2.gz MCVFCPUFJBXXTH-AWEZNQCLSA-N 0 0 326.404 1.624 10 0 EDAERN COc1cccc(C)c1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000193272881 442728189 /nfs/dbraw/zinc/72/81/89/442728189.db2.gz AHQHAQKLIVTWSD-ZDUSSCGKSA-N 0 0 342.399 1.692 10 0 EDAERN CC[C@@H](CO)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000188258089 442730437 /nfs/dbraw/zinc/73/04/37/442730437.db2.gz ZBGBCOZRYMWQHJ-NHYWBVRUSA-N 0 0 347.440 1.570 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCCCCCO)C(C)C ZINC000193368301 442736330 /nfs/dbraw/zinc/73/63/30/442736330.db2.gz UARNJSLTIHXSGT-MRXNPFEDSA-N 0 0 336.432 1.728 10 0 EDAERN CCn1c(C)nnc1CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000182124041 442738172 /nfs/dbraw/zinc/73/81/72/442738172.db2.gz OXHPFRAJYVRWRG-QGZVFWFLSA-N 0 0 329.448 1.770 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)CCN1CCCS1(=O)=O)[C@@H](C)C2 ZINC000182211041 442745527 /nfs/dbraw/zinc/74/55/27/442745527.db2.gz IRCMFRWHVOYBHM-GUYCJALGSA-N 0 0 336.457 1.770 10 0 EDAERN COC(=O)C1CCN(S(=O)(=O)N[C@H](C)c2cccs2)CC1 ZINC000193549757 442752660 /nfs/dbraw/zinc/75/26/60/442752660.db2.gz SMVWBZNDYFRWCF-SNVBAGLBSA-N 0 0 332.447 1.529 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccoc2Br)CC1 ZINC000193558286 442753910 /nfs/dbraw/zinc/75/39/10/442753910.db2.gz ADBUQIILJHPYFZ-SNVBAGLBSA-N 0 0 331.210 1.571 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCCC[C@@H]1CCO)CC2 ZINC000181734728 442713368 /nfs/dbraw/zinc/71/33/68/442713368.db2.gz OERUXMNILKXLQK-ZIAGYGMSSA-N 0 0 335.452 1.663 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccco3)CC2)n1 ZINC000188681600 442786302 /nfs/dbraw/zinc/78/63/02/442786302.db2.gz XOVYSTMZOKMRSA-SNVBAGLBSA-N 0 0 326.378 1.039 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@H](C)C[S@@](C)=O)CC2)cn1 ZINC000182568668 442788454 /nfs/dbraw/zinc/78/84/54/442788454.db2.gz BRHOCTNCLDLKRB-VERVWZFWSA-N 0 0 326.466 1.559 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)N[C@@H](C)C(C)C)n1C ZINC000182395298 442763321 /nfs/dbraw/zinc/76/33/21/442763321.db2.gz GFIJITVFTSEAQK-NSHDSACASA-N 0 0 330.454 1.014 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C)C(=O)[C@@H]1C)C(C)C ZINC000188577919 442765529 /nfs/dbraw/zinc/76/55/29/442765529.db2.gz VOKPMEPZKUEYDX-HOCLYGCPSA-N 0 0 345.443 1.439 10 0 EDAERN CCc1cccc(S(=O)(=O)N2CCN(CCOC)[C@@H](C)C2)c1 ZINC000246371461 442776489 /nfs/dbraw/zinc/77/64/89/442776489.db2.gz AEYOMUFKMICLAJ-AWEZNQCLSA-N 0 0 326.462 1.590 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCCOc1ccc(C)cc1 ZINC000188657978 442781489 /nfs/dbraw/zinc/78/14/89/442781489.db2.gz NRLRGTAYVCOBPV-NVXWUHKLSA-N 0 0 334.416 1.252 10 0 EDAERN COC(=O)c1ccnc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000193766886 442782740 /nfs/dbraw/zinc/78/27/40/442782740.db2.gz FFMRKLYJVFARLG-GFCCVEGCSA-N 0 0 329.360 1.623 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000247029904 442830322 /nfs/dbraw/zinc/83/03/22/442830322.db2.gz IDYUQZFMFGVIQJ-RHSMWYFYSA-N 0 0 346.427 1.337 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)c1ccccc1 ZINC000182711596 442811900 /nfs/dbraw/zinc/81/19/00/442811900.db2.gz QSKGCNOFWKHDNF-HUUCEWRRSA-N 0 0 340.445 1.040 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000182728979 442814646 /nfs/dbraw/zinc/81/46/46/442814646.db2.gz UMIGODGTERNUTF-HNNXBMFYSA-N 0 0 342.403 1.081 10 0 EDAERN C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188820785 442821772 /nfs/dbraw/zinc/82/17/72/442821772.db2.gz LEWFXUKFQJIOKM-LBPRGKRZSA-N 0 0 331.416 1.633 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCOc1ccc(F)cc1F ZINC000188859058 442829878 /nfs/dbraw/zinc/82/98/78/442829878.db2.gz ZOXZKZHMRMVFMR-LLVKDONJSA-N 0 0 326.343 1.861 10 0 EDAERN Cc1nc(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)sc1C ZINC000188898930 442838569 /nfs/dbraw/zinc/83/85/69/442838569.db2.gz YHCMEQNCMUWJOY-UHFFFAOYSA-N 0 0 336.461 1.613 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000188899506 442838722 /nfs/dbraw/zinc/83/87/22/442838722.db2.gz ZWWIFAWFNDNGEQ-LLVKDONJSA-N 0 0 340.383 1.965 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1)C1CCC1 ZINC000188908073 442840164 /nfs/dbraw/zinc/84/01/64/442840164.db2.gz ZIHPHWXZHHCCKK-ZNMIVQPWSA-N 0 0 333.432 1.254 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCn3cc(C)cn3)CCO2)cn1 ZINC000189060449 442868714 /nfs/dbraw/zinc/86/87/14/442868714.db2.gz RCKMSLGMJDCEAB-OAHLLOKOSA-N 0 0 332.408 1.191 10 0 EDAERN CC[C@@H]1CN(C(=O)NCCc2cccc(O)c2)CC[N@@H+]1C[C@H](C)O ZINC000248451796 442893419 /nfs/dbraw/zinc/89/34/19/442893419.db2.gz JYUVYKJHGGFJOO-GOEBONIOSA-N 0 0 335.448 1.421 10 0 EDAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000181050216 318478769 /nfs/dbraw/zinc/47/87/69/318478769.db2.gz OBKXAGIZILEOPT-CQSZACIVSA-N 0 0 331.424 1.395 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000248721079 442920936 /nfs/dbraw/zinc/92/09/36/442920936.db2.gz BZAQGRNYJIPOST-FSDCSDTHSA-N 0 0 348.443 1.439 10 0 EDAERN CC(C)c1ccc(CCNC(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189333500 442923520 /nfs/dbraw/zinc/92/35/20/442923520.db2.gz WVAAOLKRLXXJJQ-OAHLLOKOSA-N 0 0 331.460 1.679 10 0 EDAERN Cc1nc(CN(C)C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)no1 ZINC000183346639 442923546 /nfs/dbraw/zinc/92/35/46/442923546.db2.gz XJPZIQSQOXKYRZ-PBHICJAKSA-N 0 0 342.399 1.946 10 0 EDAERN Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H]2CN(C)CCO2)C(C)C)cc1 ZINC000194616497 442924257 /nfs/dbraw/zinc/92/42/57/442924257.db2.gz COJYWYNTXKNDKL-IAGOWNOFSA-N 0 0 347.459 1.196 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cccc2nsnc21 ZINC000194793069 442954481 /nfs/dbraw/zinc/95/44/81/442954481.db2.gz YAALINMMVVOEAJ-VIFPVBQESA-N 0 0 336.402 1.096 10 0 EDAERN C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000194805648 442956194 /nfs/dbraw/zinc/95/61/94/442956194.db2.gz DYLVLGQWIIVMHW-CMPLNLGQSA-N 0 0 330.388 1.284 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000189463690 442960254 /nfs/dbraw/zinc/96/02/54/442960254.db2.gz JMSLXEYIBZZZKY-MRXNPFEDSA-N 0 0 333.432 1.157 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(Br)cs2)C1)C1CC1 ZINC000189465132 442960371 /nfs/dbraw/zinc/96/03/71/442960371.db2.gz QFDWGXLEXOOYLQ-UHFFFAOYSA-N 0 0 329.219 1.861 10 0 EDAERN NC(=O)[C@H](NC(=O)NCCSC(F)(F)F)c1ccc(F)cc1 ZINC000183863072 442972030 /nfs/dbraw/zinc/97/20/30/442972030.db2.gz DKHUWEFKGSYEIM-SECBINFHSA-N 0 0 339.314 1.904 10 0 EDAERN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194805566 318593337 /nfs/dbraw/zinc/59/33/37/318593337.db2.gz HVBUZTDFMDQANL-GXTWGEPZSA-N 0 0 346.431 1.874 10 0 EDAERN COc1ccccc1C(=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000184045784 442985680 /nfs/dbraw/zinc/98/56/80/442985680.db2.gz KUJAXUHZKPQFFS-NSHDSACASA-N 0 0 328.372 1.683 10 0 EDAERN O=C(CCc1nc(-c2ccsc2)no1)N1CC(NC(=O)C2CC2)C1 ZINC000189434146 442951340 /nfs/dbraw/zinc/95/13/40/442951340.db2.gz FXIPPQBXWRXNIA-UHFFFAOYSA-N 0 0 346.412 1.468 10 0 EDAERN CO[C@H](C)CS(=O)(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000195332783 443011071 /nfs/dbraw/zinc/01/10/71/443011071.db2.gz LUVDDMHEHFMFSG-LLVKDONJSA-N 0 0 331.438 1.917 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CCO2)cn1 ZINC000250741854 443013490 /nfs/dbraw/zinc/01/34/90/443013490.db2.gz QBERYAYXDUCJKZ-XRGAULLZSA-N 0 0 336.436 1.942 10 0 EDAERN CCOCCOCCN(C)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000189896754 443026055 /nfs/dbraw/zinc/02/60/55/443026055.db2.gz SSOCIXUNHYEFAO-CYBMUJFWSA-N 0 0 339.440 1.370 10 0 EDAERN CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000252656409 443045587 /nfs/dbraw/zinc/04/55/87/443045587.db2.gz GHDIGLYESSVQDL-XPKDYRNWSA-N 0 0 334.416 1.622 10 0 EDAERN CCCCCS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000184600057 443047758 /nfs/dbraw/zinc/04/77/58/443047758.db2.gz WWYGPDPTDQWJQO-CYBMUJFWSA-N 0 0 341.481 1.597 10 0 EDAERN Cc1cccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 ZINC000224175934 443096787 /nfs/dbraw/zinc/09/67/87/443096787.db2.gz UOZNASLYPGCYSF-UHFFFAOYSA-N 0 0 326.400 1.860 10 0 EDAERN C[C@H](NC(=O)N[C@H]1C[C@H](O)C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000190082610 443055062 /nfs/dbraw/zinc/05/50/62/443055062.db2.gz GAKOCBPZVJXZDY-BPNCWPANSA-N 0 0 340.445 1.610 10 0 EDAERN CCOc1cccc(CNC(=O)N2CCN(C[C@@H](O)CC)CC2)c1 ZINC000184814330 443080702 /nfs/dbraw/zinc/08/07/02/443080702.db2.gz NUPUYUJJWPPMBO-INIZCTEOSA-N 0 0 335.448 1.683 10 0 EDAERN CCOc1cccc(CNC(=O)N2CCN(C[C@H](O)CC)CC2)c1 ZINC000184814349 443080762 /nfs/dbraw/zinc/08/07/62/443080762.db2.gz NUPUYUJJWPPMBO-MRXNPFEDSA-N 0 0 335.448 1.683 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)C(C)(C)CCOC)CC2)n1 ZINC000184843278 443085145 /nfs/dbraw/zinc/08/51/45/443085145.db2.gz PUIWQDXKFBIIPR-UHFFFAOYSA-N 0 0 336.436 1.587 10 0 EDAERN CCN(C)C(=O)CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184930028 443100853 /nfs/dbraw/zinc/10/08/53/443100853.db2.gz CUWARNTYDKHMGW-GFCCVEGCSA-N 0 0 331.338 1.938 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)Cc2ccccc2F)CC1 ZINC000184940627 443102669 /nfs/dbraw/zinc/10/26/69/443102669.db2.gz RISPSDXLZBYQIA-GDBMZVCRSA-N 0 0 337.439 1.855 10 0 EDAERN COCC(=O)N[C@@H]1CCC12CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000257182789 443118416 /nfs/dbraw/zinc/11/84/16/443118416.db2.gz QDIFGKYBBAVPRK-MRXNPFEDSA-N 0 0 348.418 1.902 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)N3CCC[C@H]3C)CCCC2)no1 ZINC000185042872 443124084 /nfs/dbraw/zinc/12/40/84/443124084.db2.gz RKFLDTZCZOFZFF-LLVKDONJSA-N 0 0 328.438 1.720 10 0 EDAERN Cc1noc([C@@H]2COCCN2CCS(=O)(=O)c2ccccc2)n1 ZINC000185071892 443130045 /nfs/dbraw/zinc/13/00/45/443130045.db2.gz CWHXEPCUAURWQJ-AWEZNQCLSA-N 0 0 337.401 1.225 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCc2c[nH]c3c2cccc3C)C1 ZINC000185242087 443168699 /nfs/dbraw/zinc/16/86/99/443168699.db2.gz AIOPELXLORJNHH-UHFFFAOYSA-N 0 0 329.400 1.382 10 0 EDAERN COCC(=O)NC1CN(C(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000185295054 443177615 /nfs/dbraw/zinc/17/76/15/443177615.db2.gz LBRJKVLNKHELJH-UHFFFAOYSA-N 0 0 346.305 1.058 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1)C(C)C ZINC000185176089 443155216 /nfs/dbraw/zinc/15/52/16/443155216.db2.gz SLEQCSBPFLRERX-OAHLLOKOSA-N 0 0 345.399 1.875 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000190674500 443161620 /nfs/dbraw/zinc/16/16/20/443161620.db2.gz KWEPPDIWBJMSAW-QMMMGPOBSA-N 0 0 327.743 1.155 10 0 EDAERN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000185663189 443234524 /nfs/dbraw/zinc/23/45/24/443234524.db2.gz NENBSWRHOYISAX-DZGCQCFKSA-N 0 0 334.445 1.873 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000185709100 443242548 /nfs/dbraw/zinc/24/25/48/443242548.db2.gz DIFHLXSZCUBLHR-CSLYMUCUSA-N 0 0 346.431 1.132 10 0 EDAERN CC[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1)C(=O)OC ZINC000245868752 443253560 /nfs/dbraw/zinc/25/35/60/443253560.db2.gz FSKINUBQDDIPKM-YCPHGPKFSA-N 0 0 332.400 1.664 10 0 EDAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000185890827 443277495 /nfs/dbraw/zinc/27/74/95/443277495.db2.gz JGBCZNAUCMRVTF-HNNXBMFYSA-N 0 0 327.388 1.018 10 0 EDAERN COCCN(C)c1ccc(CN[C@@H](C)c2nnc3n2CCCC3)cn1 ZINC000191230031 443262513 /nfs/dbraw/zinc/26/25/13/443262513.db2.gz QPRYAMXYPXMGEC-AWEZNQCLSA-N 0 0 344.463 1.943 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246126989 443270413 /nfs/dbraw/zinc/27/04/13/443270413.db2.gz ASHCLYIOPXZBMO-CHWSQXEVSA-N 0 0 334.482 1.320 10 0 EDAERN CC(=O)NC1CN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C1 ZINC000191481210 443301028 /nfs/dbraw/zinc/30/10/28/443301028.db2.gz XHBGQDMIBIAHGD-JTQLQIEISA-N 0 0 332.429 1.704 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN2c2ncnc3sccc32)C1 ZINC000191494772 443303043 /nfs/dbraw/zinc/30/30/43/443303043.db2.gz DKYQWCMLUORQJM-CYBMUJFWSA-N 0 0 345.428 1.007 10 0 EDAERN CCCc1cc(C(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)[nH]n1 ZINC000328614702 444394139 /nfs/dbraw/zinc/39/41/39/444394139.db2.gz WQWNRFSWULBCAO-BBRMVZONSA-N 0 0 331.420 1.973 10 0 EDAERN NC(=O)c1noc([C@H]2CCCN2c2nccc(C(F)(F)F)n2)n1 ZINC000328615954 444394499 /nfs/dbraw/zinc/39/44/99/444394499.db2.gz BFLZRYOSCXXBJC-ZCFIWIBFSA-N 0 0 328.254 1.319 10 0 EDAERN Cn1cnnc1[C@H]1CN(C(=O)c2cccn2C2CCCC2)CCO1 ZINC000328619381 444396863 /nfs/dbraw/zinc/39/68/63/444396863.db2.gz FVUAZNAIKSJROF-OAHLLOKOSA-N 0 0 329.404 1.945 10 0 EDAERN Cc1c([C@H]2CN(C(=O)c3cc[nH]c3C(C)C)C[C@@H]2C(N)=O)cnn1C ZINC000527578775 448308134 /nfs/dbraw/zinc/30/81/34/448308134.db2.gz ABPGBYSDXCJZQB-CABCVRRESA-N 0 0 343.431 1.521 10 0 EDAERN O=C(CN1CCC[C@](O)(c2cn[nH]n2)C1)NCc1ccc(Cl)cc1 ZINC000583617974 448446984 /nfs/dbraw/zinc/44/69/84/448446984.db2.gz PLEBCAGKTIVLPN-MRXNPFEDSA-N 0 0 349.822 1.058 10 0 EDAERN CCn1cc(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c2ccccc21 ZINC000583619019 448448308 /nfs/dbraw/zinc/44/83/08/448448308.db2.gz VLBICLFRKGPKIG-GOSISDBHSA-N 0 0 339.399 1.903 10 0 EDAERN CCC1=C(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)CCCO1 ZINC000583621330 448451384 /nfs/dbraw/zinc/45/13/84/448451384.db2.gz RGVUWQCKVTTWND-KRWDZBQOSA-N 0 0 334.420 1.753 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)NC[C@]2(C)CCCS2)CCO1 ZINC000583623641 448454465 /nfs/dbraw/zinc/45/44/65/448454465.db2.gz RTWPFCMGMYEVPD-DOMZBBRYSA-N 0 0 339.465 1.667 10 0 EDAERN Cc1cn2nc(N[C@@H]3CCN(C(=O)Cc4ccoc4)C3)ccc2n1 ZINC000583823143 448463197 /nfs/dbraw/zinc/46/31/97/448463197.db2.gz LUZUKFGOJSYCBL-CQSZACIVSA-N 0 0 325.372 1.886 10 0 EDAERN CCN(CC)S(=O)(=O)c1c(Br)nc2n1CCOC2 ZINC000536956260 448548971 /nfs/dbraw/zinc/54/89/71/448548971.db2.gz XWESAYARIGDNML-UHFFFAOYSA-N 0 0 338.227 1.206 10 0 EDAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cnn(C)c1Cc1ccccc1 ZINC000548845087 449104016 /nfs/dbraw/zinc/10/40/16/449104016.db2.gz URGZSTLWCRXJDP-IUODEOHRSA-N 0 0 326.400 1.408 10 0 EDAERN CN1C[C@H](CNC(=O)c2c(F)cccc2Br)CC1=O ZINC000619003677 450373511 /nfs/dbraw/zinc/37/35/11/450373511.db2.gz LQXOQUWCAOSXFM-QMMMGPOBSA-N 0 0 329.169 1.796 10 0 EDAERN CC(C)(C)OC(=O)N1CCN[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000616631848 450456407 /nfs/dbraw/zinc/45/64/07/450456407.db2.gz GYAFRGIKFRGQRM-CYBMUJFWSA-N 0 0 326.418 1.627 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2cccc(N)n2)C1 ZINC000616664773 450458761 /nfs/dbraw/zinc/45/87/61/450458761.db2.gz XGSVXEFAIVIMKO-ZDUSSCGKSA-N 0 0 336.436 1.604 10 0 EDAERN CC(=O)Nc1ccc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)cc1 ZINC000616685392 450460231 /nfs/dbraw/zinc/46/02/31/450460231.db2.gz FEVTUTZCHFJMFK-INIZCTEOSA-N 0 0 346.412 1.822 10 0 EDAERN Cc1cccc2c(CCC(=O)N3C[C@@H](O)[C@H](n4ccnn4)C3)c[nH]c21 ZINC000630014514 450954536 /nfs/dbraw/zinc/95/45/36/450954536.db2.gz PUHUWBVQCGMGJG-HZPDHXFCSA-N 0 0 339.399 1.445 10 0 EDAERN C[C@H](C(=O)[O-])N(C)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000630570644 451251569 /nfs/dbraw/zinc/25/15/69/451251569.db2.gz CQKFYCNJOGDHIO-CQSZACIVSA-N 0 0 333.432 1.302 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cncnc3C3CC3)C[C@@H](C)O2)n1 ZINC000628864218 451445363 /nfs/dbraw/zinc/44/53/63/451445363.db2.gz SGEKFTFDWNNDPH-NOZJJQNGSA-N 0 0 329.360 1.648 10 0 EDAERN COc1nsc(CNC[C@H]2CN(C)CCO2)c1Br ZINC000638569716 451582621 /nfs/dbraw/zinc/58/26/21/451582621.db2.gz LSDLQHAZPHNHMZ-QMMMGPOBSA-N 0 0 336.255 1.334 10 0 EDAERN CC(C)n1cc(Br)cc1C(=O)N[C@H]1CCOC[C@H]1O ZINC000629236000 451610060 /nfs/dbraw/zinc/61/00/60/451610060.db2.gz MCQYBYVUNIXMOX-CMPLNLGQSA-N 0 0 331.210 1.711 10 0 EDAERN O=C(Cc1ccc(Br)cc1F)N[C@H]1CCOC[C@H]1O ZINC000629240219 451613780 /nfs/dbraw/zinc/61/37/80/451613780.db2.gz PZKDIBDADIVGCZ-NWDGAFQWSA-N 0 0 332.169 1.397 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC000644120579 453060151 /nfs/dbraw/zinc/06/01/51/453060151.db2.gz GHNXUVLHEJBGLE-HIFRSBDPSA-N 0 0 325.372 1.817 10 0 EDAERN O=C1NCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000657032440 453635561 /nfs/dbraw/zinc/63/55/61/453635561.db2.gz YHJPZGZZYRQLEG-ZCFIWIBFSA-N 0 0 327.164 1.299 10 0 EDAERN COC(=O)c1sc2cnc([S@@](C)=O)nc2c1-c1cnn(C)c1 ZINC000215974155 485814668 /nfs/dbraw/zinc/81/46/68/485814668.db2.gz LBKMESFWLKJBJJ-JOCHJYFZSA-N 0 0 336.398 1.616 10 0 EDAERN NC(=O)c1csc2ncn(Cc3ccc4c(c3)OCO4)c(=O)c12 ZINC000064459874 490996129 /nfs/dbraw/zinc/99/61/29/490996129.db2.gz JQVUUWXVWOTCER-UHFFFAOYSA-N 0 0 329.337 1.334 10 0 EDAERN C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1nnc2n1CCCC2 ZINC000121776247 490999729 /nfs/dbraw/zinc/99/97/29/490999729.db2.gz ZGEBARMUTICCIO-RYUDHWBXSA-N 0 0 328.438 1.164 10 0 EDAERN C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1cccs1 ZINC000189829438 533956156 /nfs/dbraw/zinc/95/61/56/533956156.db2.gz MEKSPFKBUQSJIG-JTQLQIEISA-N 0 0 340.492 1.010 10 0 EDAERN COC(=O)NCCCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176411647 534089722 /nfs/dbraw/zinc/08/97/22/534089722.db2.gz BGOJBVRAAMMERP-ZDUSSCGKSA-N 0 0 349.435 1.804 10 0 EDAERN COC(=O)c1ccccc1CCN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000186987040 534289510 /nfs/dbraw/zinc/28/95/10/534289510.db2.gz JAMBALSBPMBETC-QGZVFWFLSA-N 0 0 343.427 1.922 10 0 EDAERN COC(=O)c1ncn(-c2c(N)cnc3ccc(Br)cc32)n1 ZINC000167322095 534360815 /nfs/dbraw/zinc/36/08/15/534360815.db2.gz DYJQJTJIQURUBC-UHFFFAOYSA-N 0 0 348.160 1.947 10 0 EDAERN O=C(CN1CCOC[C@@H]1CO)Nc1ccccc1Br ZINC000168804009 534543983 /nfs/dbraw/zinc/54/39/83/534543983.db2.gz FMGUBHRUSSKAIE-JTQLQIEISA-N 0 0 329.194 1.081 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1c(C)ccn(C)c1=O ZINC000155275099 534778119 /nfs/dbraw/zinc/77/81/19/534778119.db2.gz ZUKIYCFPSKTLPM-AWEZNQCLSA-N 0 0 329.404 1.895 10 0 EDAERN CC(C)(C)OC(=O)N1CCN(c2cccc3nc(CO)cn32)CC1 ZINC000036220568 534839303 /nfs/dbraw/zinc/83/93/03/534839303.db2.gz PSCBFWQMYYAGTE-UHFFFAOYSA-N 0 0 332.404 1.884 10 0 EDAERN CC(=O)N1CC[C@H](NC(=O)N2CCC(Cc3nccn3C)CC2)C1 ZINC000129708585 526664837 /nfs/dbraw/zinc/66/48/37/526664837.db2.gz RBTLIQSFWOEBOS-HNNXBMFYSA-N 0 0 333.436 1.005 10 0 EDAERN CC(C)([C@@H](O)Cc1cncc(Br)c1)N1CCOCC1 ZINC000167330125 527377325 /nfs/dbraw/zinc/37/73/25/527377325.db2.gz GCZNCJXVEQIGAL-ZDUSSCGKSA-N 0 0 329.238 1.858 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2nccn(C)c2=O)C12CCCC2 ZINC000183856510 528069527 /nfs/dbraw/zinc/06/95/27/528069527.db2.gz VORQNZBTYPGSPA-OLZOCXBDSA-N 0 0 334.420 1.982 10 0 EDAERN CC(C)COC[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1ccco1 ZINC000186741666 528098289 /nfs/dbraw/zinc/09/82/89/528098289.db2.gz NBKDUQXKJOMYLO-OAHLLOKOSA-N 0 0 349.431 1.913 10 0 EDAERN CCOC(=O)c1cn(C)nc1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000184008250 528281544 /nfs/dbraw/zinc/28/15/44/528281544.db2.gz DFHRKIJZBFLUKU-ZDUSSCGKSA-N 0 0 346.391 1.699 10 0 EDAERN CC(C)[C@@H]1NC(=O)[C@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168873845 528814462 /nfs/dbraw/zinc/81/44/62/528814462.db2.gz XHCLUVIXSGPDKW-CABZTGNLSA-N 0 0 340.221 1.716 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187980673 529154174 /nfs/dbraw/zinc/15/41/74/529154174.db2.gz OVRACTPEZSQYID-UHFFFAOYSA-N 0 0 329.400 1.233 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCC(=O)Nc2ccccc2)CC1 ZINC000181760050 529226487 /nfs/dbraw/zinc/22/64/87/529226487.db2.gz IPTAVFMWENFTPC-MRXNPFEDSA-N 0 0 348.447 1.113 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000129739304 529228288 /nfs/dbraw/zinc/22/82/88/529228288.db2.gz LCJFOICIDQEXDM-OAHLLOKOSA-N 0 0 329.404 1.000 10 0 EDAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)N[C@@H]1CCc3ncnn3C1)O2 ZINC000180466694 535267920 /nfs/dbraw/zinc/26/79/20/535267920.db2.gz LYRLVEDUXGHKIM-YXXKGXSTSA-N 0 0 349.435 1.214 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000132589812 535399144 /nfs/dbraw/zinc/39/91/44/535399144.db2.gz JFYOERPDHWAPNL-AWEZNQCLSA-N 0 0 336.436 1.808 10 0 EDAERN CCOCCC1(CNC(=O)N[C@@H]2CCc3nc(CC)nn3C2)CC1 ZINC000127020146 535477695 /nfs/dbraw/zinc/47/76/95/535477695.db2.gz JZNKFWIZYVRZTO-CYBMUJFWSA-N 0 0 335.452 1.661 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C[C@H]1CC ZINC000246961982 535600337 /nfs/dbraw/zinc/60/03/37/535600337.db2.gz JTWFWRVQQNBDQX-BBWFWOEESA-N 0 0 342.480 1.530 10 0 EDAERN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000193763753 535670815 /nfs/dbraw/zinc/67/08/15/535670815.db2.gz SIVFCTYVFYCJGK-CXAGYDPISA-N 0 0 349.435 1.214 10 0 EDAERN CN1C(=O)c2ccc(C(=O)N3CCC(c4cc[nH]n4)CC3)cc2C1=O ZINC000125809687 536327313 /nfs/dbraw/zinc/32/73/13/536327313.db2.gz UKKLXCOVKJUQED-UHFFFAOYSA-N 0 0 338.367 1.655 10 0 EDAERN CN[C@@H](C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)c1cnn(C)c1 ZINC000262322836 536337231 /nfs/dbraw/zinc/33/72/31/536337231.db2.gz FNNZOGQLNDOWHQ-CXAGYDPISA-N 0 0 338.415 1.744 10 0 EDAERN COC(=O)[C@@H](c1cccnc1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000246365524 536459500 /nfs/dbraw/zinc/45/95/00/536459500.db2.gz GYPKADBIDDNHFU-QGZVFWFLSA-N 0 0 343.431 1.237 10 0 EDAERN COC(=O)[C@@H](c1cccnc1)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000246407422 536459762 /nfs/dbraw/zinc/45/97/62/536459762.db2.gz KRCLPQRAIOXMNF-XJKSGUPXSA-N 0 0 330.388 1.942 10 0 EDAERN COc1ccc(Br)c(C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000191766537 536623085 /nfs/dbraw/zinc/62/30/85/536623085.db2.gz BYERJEDSHIYEGQ-SECBINFHSA-N 0 0 341.205 1.808 10 0 EDAERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000188445793 536836528 /nfs/dbraw/zinc/83/65/28/536836528.db2.gz GCZPCJUISYINHW-OSAQELSMSA-N 0 0 342.399 1.530 10 0 EDAERN COc1cccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)c1 ZINC000211824383 537136544 /nfs/dbraw/zinc/13/65/44/537136544.db2.gz VJVCUPWNLUYELB-UHFFFAOYSA-N 0 0 333.412 1.237 10 0 EDAERN CC(C)[NH+]1CCN(c2ncc(Br)c(C(=O)[O-])n2)CC1 ZINC000757190350 579965503 /nfs/dbraw/zinc/96/55/03/579965503.db2.gz OVQQUYAAMUPHJL-UHFFFAOYSA-N 0 0 329.198 1.468 10 0 EDAERN Cn1ccnc1[C@H]1CCN(C(=O)c2c[nH]nc2C2CCOCC2)C1 ZINC000888076103 590929911 /nfs/dbraw/zinc/92/99/11/590929911.db2.gz ZGLZHQJQAQVJPX-ZDUSSCGKSA-N 0 0 329.404 1.667 10 0 EDAERN COc1ccc2[nH]nc(NC(=O)CN3CCCC[C@H](OC)C3=O)c2c1 ZINC000888076422 590931256 /nfs/dbraw/zinc/93/12/56/590931256.db2.gz JJPAXCGBKCRLKT-AWEZNQCLSA-N 0 0 346.387 1.538 10 0 EDAERN CC1=NN(c2ccc(C(=O)N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)cc2)CC1 ZINC000888077104 590932208 /nfs/dbraw/zinc/93/22/08/590932208.db2.gz JQRWCOSUIAFWSI-GVDBMIGSSA-N 0 0 339.399 1.573 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000888077470 590932867 /nfs/dbraw/zinc/93/28/67/590932867.db2.gz COZVDZFLBQSWIO-HUUCEWRRSA-N 0 0 327.384 1.876 10 0 EDAERN C[C@H]1CN(c2ccccc2CN2CC(c3cc(CO)on3)C2)CCO1 ZINC000888078858 590935808 /nfs/dbraw/zinc/93/58/08/590935808.db2.gz BLBWVMYOFAVOMY-AWEZNQCLSA-N 0 0 343.427 1.991 10 0 EDAERN CCc1nnc(N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)nc1CC ZINC000888099337 591028829 /nfs/dbraw/zinc/02/88/29/591028829.db2.gz VSMAJHXOXUANDJ-NSHDSACASA-N 0 0 343.435 1.552 10 0 EDAERN Cc1ccc(CCS(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)cc1 ZINC000888099185 591028871 /nfs/dbraw/zinc/02/88/71/591028871.db2.gz UGGWUFMQPRKPNN-HZPDHXFCSA-N 0 0 339.457 1.387 10 0 EDAERN COc1cccc2c1CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])[NH2+]C1)CC2 ZINC000888101172 591029661 /nfs/dbraw/zinc/02/96/61/591029661.db2.gz LTCIXKVJVSXUIV-DZGCQCFKSA-N 0 0 332.400 1.075 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)c2ccoc2)C1 ZINC000888103024 591031319 /nfs/dbraw/zinc/03/13/19/591031319.db2.gz ZZKIJLKWGDWIIF-YPMHNXCESA-N 0 0 325.390 1.770 10 0 EDAERN COCCc1nc(CN2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)no1 ZINC000888102632 591031343 /nfs/dbraw/zinc/03/13/43/591031343.db2.gz CJSXPOOGRDXJLN-OLZOCXBDSA-N 0 0 335.408 1.560 10 0 EDAERN CN(C)c1cc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)ccn1 ZINC000899075140 591673102 /nfs/dbraw/zinc/67/31/02/591673102.db2.gz VQEUNDZSICJZBV-AWEZNQCLSA-N 0 0 326.404 1.704 10 0 EDAERN O=C(C1CC1)N1CCN(c2c(-c3ccccc3)cnc3ncnn32)CC1 ZINC000022674852 591894203 /nfs/dbraw/zinc/89/42/03/591894203.db2.gz LGWPIOSNRAXEAG-UHFFFAOYSA-N 0 0 348.410 1.850 10 0 EDAERN C[C@@H](OC(=O)CCC(=O)N1CCOCC1)c1nc2ccccc2[nH]1 ZINC000102129834 594841612 /nfs/dbraw/zinc/84/16/12/594841612.db2.gz WWRXGYJNYQDBQF-GFCCVEGCSA-N 0 0 331.372 1.806 10 0 EDAERN COC(=O)N[C@@H](C(=O)OCc1nccn1CC(F)(F)F)C(C)C ZINC000108626015 595529012 /nfs/dbraw/zinc/52/90/12/595529012.db2.gz PZSLNEGQSPDVRK-SNVBAGLBSA-N 0 0 337.298 1.869 10 0 EDAERN COC(=O)N[C@@H](C(=O)N(C)Cc1nc2ccccc2n1C)C(C)C ZINC000111096357 595669321 /nfs/dbraw/zinc/66/93/21/595669321.db2.gz FNZNWTOZHAIXIM-OAHLLOKOSA-N 0 0 332.404 1.912 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2Cn2nc3cnccn3c2=O)no1 ZINC000132059231 597787346 /nfs/dbraw/zinc/78/73/46/597787346.db2.gz ILAZYWNTDAAKEV-NSHDSACASA-N 0 0 329.364 1.192 10 0 EDAERN COc1ccc(OC)c([C@@H](C)NC(=O)Cn2ccc([C@@H](C)O)n2)c1 ZINC000133800376 598003823 /nfs/dbraw/zinc/00/38/23/598003823.db2.gz GLSVHQCSVHTTOW-VXGBXAGGSA-N 0 0 333.388 1.831 10 0 EDAERN C[C@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000175239119 697708883 /nfs/dbraw/zinc/70/88/83/697708883.db2.gz KQKJCQQSDBASBS-RYUDHWBXSA-N 0 0 329.356 1.553 10 0 EDAERN Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1N ZINC000184847035 698459070 /nfs/dbraw/zinc/45/90/70/698459070.db2.gz LRKHRZAVSIEYQH-ZYHUDNBSSA-N 0 0 337.424 1.426 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCC2(CO)CCC2)C1 ZINC000183226925 701551995 /nfs/dbraw/zinc/55/19/95/701551995.db2.gz GTMFDCHFZDSCNZ-STQMWFEESA-N 0 0 326.437 1.959 10 0 EDAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O[C@H](C)c1nnc(C)o1 ZINC000182120372 700450111 /nfs/dbraw/zinc/45/01/11/700450111.db2.gz RTGVYLJRQGOXKH-BMIGLBTASA-N 0 0 329.356 1.956 10 0 EDAERN O=C(NCCCn1ccnn1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000182467173 700818322 /nfs/dbraw/zinc/81/83/22/700818322.db2.gz VJQDXNJBJNJBCK-IAGOWNOFSA-N 0 0 343.431 1.966 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCC2(CO)CCC2)C1 ZINC000183212426 701543472 /nfs/dbraw/zinc/54/34/72/701543472.db2.gz MJXWRRPALGPCCX-ZDUSSCGKSA-N 0 0 326.437 1.912 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000186316621 705295812 /nfs/dbraw/zinc/29/58/12/705295812.db2.gz JTYRPSKROOFMAF-UHFFFAOYSA-N 0 0 327.384 1.279 10 0 EDAERN [NH3+][C@@]1(C(=O)[O-])CCC[C@H](n2cc(I)cn2)C1 ZINC000086604724 707492280 /nfs/dbraw/zinc/49/22/80/707492280.db2.gz DRZDMVMLCISMAO-WPRPVWTQSA-N 0 0 335.145 1.385 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)n1 ZINC000173427954 230939858 /nfs/dbraw/zinc/93/98/58/230939858.db2.gz MYCAFCKJNUWVBY-OLZOCXBDSA-N 0 0 336.461 1.948 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3c(F)cccc3F)CCO2)[nH]1 ZINC000173736135 231019046 /nfs/dbraw/zinc/01/90/46/231019046.db2.gz DSXUIPRKSRZBMX-LLVKDONJSA-N 0 0 344.343 1.154 10 0 EDAERN O=C(Nc1ccc(-n2cccn2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173792744 231035157 /nfs/dbraw/zinc/03/51/57/231035157.db2.gz PSGWFJNRIVFVCM-KRWDZBQOSA-N 0 0 341.415 1.811 10 0 EDAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174008338 231098195 /nfs/dbraw/zinc/09/81/95/231098195.db2.gz FQXVJEIOEVCCKI-AWEZNQCLSA-N 0 0 335.379 1.006 10 0 EDAERN CCC(CC)NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000189957811 282201802 /nfs/dbraw/zinc/20/18/02/282201802.db2.gz RMIZZAQHQPWCOL-CYBMUJFWSA-N 0 0 328.438 1.090 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193491809 282215917 /nfs/dbraw/zinc/21/59/17/282215917.db2.gz PNLDZNAVSBDSMT-CYBMUJFWSA-N 0 0 347.806 1.870 10 0 EDAERN COCCCN1[C@H](C)CN(S(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000062090928 214697707 /nfs/dbraw/zinc/69/77/07/214697707.db2.gz AZHYVQFIXSYIAV-GASCZTMLSA-N 0 0 326.462 1.806 10 0 EDAERN CC(C)OCCNC(=O)c1ccc(-c2nnc3ncccn32)cc1 ZINC000062106130 214698834 /nfs/dbraw/zinc/69/88/34/214698834.db2.gz NISATOFTGXZFNV-UHFFFAOYSA-N 0 0 325.372 1.946 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@](C)(O)c2cccc(Cl)c2)C1 ZINC000184102010 529789337 /nfs/dbraw/zinc/78/93/37/529789337.db2.gz CMRRLDUHDNFROR-ZBFHGGJFSA-N 0 0 341.839 1.177 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)NC1(CO)CCCC1 ZINC000178083937 303981205 /nfs/dbraw/zinc/98/12/05/303981205.db2.gz NSMYUIBUQGRQCQ-ZDUSSCGKSA-N 0 0 338.429 1.509 10 0 EDAERN O=C(N[C@@H]1CCOc2ccc(F)cc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173909013 295775826 /nfs/dbraw/zinc/77/58/26/295775826.db2.gz MQPKAAFGMLGHFD-GOEBONIOSA-N 0 0 349.406 1.765 10 0 EDAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246269432 539610448 /nfs/dbraw/zinc/61/04/48/539610448.db2.gz RRBNUZITBKNVQY-CVEARBPZSA-N 0 0 334.464 1.267 10 0 EDAERN C[C@H](NC(=O)NCCN1CCc2ccccc2C1=O)[C@@H]1CCCO1 ZINC000191937269 299155676 /nfs/dbraw/zinc/15/56/76/299155676.db2.gz GLMLNTSAPFBVSX-BBRMVZONSA-N 0 0 331.416 1.552 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000249383334 539700206 /nfs/dbraw/zinc/70/02/06/539700206.db2.gz BGOHCVBTWLBGAA-HJWJTTGWSA-N 0 0 348.443 1.033 10 0 EDAERN CN1CC2(CCN(C(=O)CCN3CCCCCC3=O)CC2)OC1=O ZINC000077286847 282675427 /nfs/dbraw/zinc/67/54/27/282675427.db2.gz ALVHVJUZMPXGOJ-UHFFFAOYSA-N 0 0 337.420 1.222 10 0 EDAERN CC1(C)O[C@H]2[C@@H](O1)[C@@H](n1ccc3c1ncnc3Cl)O[C@H]2CO ZINC000584907238 539953240 /nfs/dbraw/zinc/95/32/40/539953240.db2.gz POIWYPNJASWVSL-WTBMIXGQSA-N 0 0 325.752 1.495 10 0 EDAERN COc1cccc2c1OC[C@@H](NC(=O)N[C@@H]1CCCn3ncnc31)C2 ZINC000176490540 540101306 /nfs/dbraw/zinc/10/13/06/540101306.db2.gz WRSRCKKOPRKWDB-QWHCGFSZSA-N 0 0 343.387 1.425 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)c2cnn(C)c2N)c2cccs2)CCO1 ZINC000185228118 540147930 /nfs/dbraw/zinc/14/79/30/540147930.db2.gz VIBBFIZRISRJFX-YPMHNXCESA-N 0 0 349.460 1.256 10 0 EDAERN CCOc1cnc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000187355034 540154598 /nfs/dbraw/zinc/15/45/98/540154598.db2.gz YICGFVHAELBYDY-NSHDSACASA-N 0 0 330.392 1.335 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C2)cn1 ZINC000184013849 235285540 /nfs/dbraw/zinc/28/55/40/235285540.db2.gz WBNFERQHWQMDDH-GOEBONIOSA-N 0 0 342.399 1.613 10 0 EDAERN COCc1nnc(NC(=O)CN2c3ccc(C)cc3C(=O)C2=O)s1 ZINC000019995158 202028765 /nfs/dbraw/zinc/02/87/65/202028765.db2.gz ZAKYTCNBVTURIQ-UHFFFAOYSA-N 0 0 346.368 1.161 10 0 EDAERN CCOC(=O)CNC[C@@H](O)COc1cccc(Br)c1 ZINC000037893714 202055174 /nfs/dbraw/zinc/05/51/74/202055174.db2.gz WQEMYQKAXYXQNZ-LLVKDONJSA-N 0 0 332.194 1.342 10 0 EDAERN CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2N)CCO1 ZINC000037929819 202065647 /nfs/dbraw/zinc/06/56/47/202065647.db2.gz SVDVXMRULLLPKP-UHFFFAOYSA-N 0 0 349.250 1.831 10 0 EDAERN CCCS(=O)(=O)c1nc2ccccc2n1CCN1CCOCC1 ZINC000022855282 202094212 /nfs/dbraw/zinc/09/42/12/202094212.db2.gz KMRNJBQWFMNXPC-UHFFFAOYSA-N 0 0 337.445 1.552 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N[C@H]3COc4ccccc43)cc2[nH]1 ZINC000074913396 138239868 /nfs/dbraw/zinc/23/98/68/138239868.db2.gz MKIZUMIBSKBXQB-ZDUSSCGKSA-N 0 0 331.353 1.268 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc2c(c1)OCO2 ZINC000081163319 138265663 /nfs/dbraw/zinc/26/56/63/138265663.db2.gz ATQLYWQIJBNUKW-GFCCVEGCSA-N 0 0 329.360 1.650 10 0 EDAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000092228510 138287026 /nfs/dbraw/zinc/28/70/26/138287026.db2.gz SRWINTKYOADXLU-LLVKDONJSA-N 0 0 332.187 1.118 10 0 EDAERN CCCCCNC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000091049045 138281375 /nfs/dbraw/zinc/28/13/75/138281375.db2.gz WZNNCONCOPNDKK-NSHDSACASA-N 0 0 342.465 1.302 10 0 EDAERN CCn1c(=O)c2sccc2n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1=O ZINC000026496311 202144175 /nfs/dbraw/zinc/14/41/75/202144175.db2.gz BETMTDMFQMNDPG-VXGBXAGGSA-N 0 0 349.456 1.749 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2cccnc2OC2CCCC2)C1 ZINC000104787859 138300557 /nfs/dbraw/zinc/30/05/57/138300557.db2.gz IYHCWBDXTYRDJW-INIZCTEOSA-N 0 0 348.447 1.533 10 0 EDAERN CCc1ccc(NC(=O)NC[C@@H](O)CN2CCOCC2)cc1F ZINC000093092646 138291736 /nfs/dbraw/zinc/29/17/36/138291736.db2.gz VOGSZPRAAWXOFM-CQSZACIVSA-N 0 0 325.384 1.203 10 0 EDAERN COCc1cc(NC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)ncn1 ZINC000093317903 138293029 /nfs/dbraw/zinc/29/30/29/138293029.db2.gz GTZQOAJBFBTSNV-LBPRGKRZSA-N 0 0 346.391 1.801 10 0 EDAERN COCc1cccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000119467606 138314203 /nfs/dbraw/zinc/31/42/03/138314203.db2.gz UZVHDEXJJOGNNP-UHFFFAOYSA-N 0 0 342.399 1.901 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CSCCS1)c1nnc2n1CCCC2 ZINC000120667543 138316216 /nfs/dbraw/zinc/31/62/16/138316216.db2.gz QYMVUPKPRAWZJW-WDEREUQCSA-N 0 0 341.506 1.823 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)NCc1cccnc1 ZINC000111229428 138308095 /nfs/dbraw/zinc/30/80/95/138308095.db2.gz VPYAGCKZQYNJBM-INIZCTEOSA-N 0 0 327.432 1.885 10 0 EDAERN Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112654838 138309427 /nfs/dbraw/zinc/30/94/27/138309427.db2.gz SLUUUDUKHRZVRA-NSHDSACASA-N 0 0 327.344 1.508 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOCc1ccccc1)CC2 ZINC000114872783 138310837 /nfs/dbraw/zinc/31/08/37/138310837.db2.gz DQUZSVCEQWZTSA-HNNXBMFYSA-N 0 0 328.416 1.878 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccccc1OC)CC2 ZINC000114914041 138310848 /nfs/dbraw/zinc/31/08/48/138310848.db2.gz HFVMKUUHVYINBO-AWEZNQCLSA-N 0 0 343.431 1.706 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CCCO)CC(C)(C)C)CC2 ZINC000114976322 138310913 /nfs/dbraw/zinc/31/09/13/138310913.db2.gz WJFXBPAYWYHFFQ-ZDUSSCGKSA-N 0 0 337.468 1.595 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cc3c[nH]c4ncccc34)CCO2)[nH]1 ZINC000124632902 138328431 /nfs/dbraw/zinc/32/84/31/138328431.db2.gz JZJUEDCQHXNFLT-CYBMUJFWSA-N 0 0 326.360 1.132 10 0 EDAERN O=C(c1cc(F)c(F)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000130582566 138342300 /nfs/dbraw/zinc/34/23/00/138342300.db2.gz GZTUPKWDOFHRGC-JTQLQIEISA-N 0 0 325.290 1.842 10 0 EDAERN CCOC(=O)CN(CC(=O)OCC)c1ccc(C(=O)OCC)cc1 ZINC000029213649 202182824 /nfs/dbraw/zinc/18/28/24/202182824.db2.gz XRPPBPKVVOZABV-UHFFFAOYSA-N 0 0 337.372 1.796 10 0 EDAERN C[C@H](CNC(=O)CCCNC(=O)c1ccccc1)N1CCOCC1 ZINC000029959000 202192236 /nfs/dbraw/zinc/19/22/36/202192236.db2.gz GGPQKKSGXWMHHU-OAHLLOKOSA-N 0 0 333.432 1.034 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3ccccc3O)CC2)no1 ZINC000131191747 138353729 /nfs/dbraw/zinc/35/37/29/138353729.db2.gz BAHZHTRSXRNIJK-UHFFFAOYSA-N 0 0 330.388 1.361 10 0 EDAERN COc1cc(C(=O)NCCO)c(Br)c(OC)c1OC ZINC000030954210 202201610 /nfs/dbraw/zinc/20/16/10/202201610.db2.gz MKOMYWYVHCKBMM-UHFFFAOYSA-N 0 0 334.166 1.197 10 0 EDAERN Cc1cccc(Cl)c1NC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000132472264 138377462 /nfs/dbraw/zinc/37/74/62/138377462.db2.gz WJHKUQWHIOOJON-AWEZNQCLSA-N 0 0 337.851 1.993 10 0 EDAERN C[C@@H]1CN(C(=O)CSCc2cscn2)C[C@@H]1N1CCOCC1 ZINC000132907829 138385101 /nfs/dbraw/zinc/38/51/01/138385101.db2.gz VDRQQQBBOLSOTJ-OCCSQVGLSA-N 0 0 341.502 1.555 10 0 EDAERN CC(C)CCn1cc(C(=O)N2CCC(Nc3cccnn3)CC2)nn1 ZINC000151694126 138460099 /nfs/dbraw/zinc/46/00/99/138460099.db2.gz FWZDMIMPFNNQHC-UHFFFAOYSA-N 0 0 343.435 1.831 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cccc(N(C)C)n1)CC2 ZINC000152540001 138476548 /nfs/dbraw/zinc/47/65/48/138476548.db2.gz RKHYNSSSIIOCAG-GFCCVEGCSA-N 0 0 343.435 1.999 10 0 EDAERN CCC[C@@H](O)CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000172305273 535365806 /nfs/dbraw/zinc/36/58/06/535365806.db2.gz QIHGMXCHWQZGRS-YPMHNXCESA-N 0 0 326.418 1.365 10 0 EDAERN NC(=O)Cn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@@H]21 ZINC000096318887 283296354 /nfs/dbraw/zinc/29/63/54/283296354.db2.gz STRNLMJEBGKXKY-UFBFGSQYSA-N 0 0 334.422 1.641 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)CC2 ZINC000127218576 138614757 /nfs/dbraw/zinc/61/47/57/138614757.db2.gz HHVGCWHVRPTBPX-SECBINFHSA-N 0 0 340.309 1.394 10 0 EDAERN CCCN[C@](C)(C[C@@H](C)SCCS(C)(=O)=O)C(=O)OC ZINC000068643603 202230949 /nfs/dbraw/zinc/23/09/49/202230949.db2.gz WRDIALICVYIEBQ-DGCLKSJQSA-N 0 0 325.496 1.474 10 0 EDAERN C[C@H]1CCc2nc3ncn(CCN4CCOCC4)c(=O)c3cc2C1 ZINC000033267631 202254029 /nfs/dbraw/zinc/25/40/29/202254029.db2.gz GIXXWOZOMCASBJ-ZDUSSCGKSA-N 0 0 328.416 1.249 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CC[C@@H](Oc3cccnc3)C2)CCCC1 ZINC000161513142 138643468 /nfs/dbraw/zinc/64/34/68/138643468.db2.gz RRNNJFJIVLFLEB-OAHLLOKOSA-N 0 0 346.431 1.693 10 0 EDAERN CCCN(CCC)C(=O)CCC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000176283625 138706888 /nfs/dbraw/zinc/70/68/88/138706888.db2.gz IKTYYRONFPJIQS-CQSZACIVSA-N 0 0 335.452 1.966 10 0 EDAERN NC(=O)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176370497 138708093 /nfs/dbraw/zinc/70/80/93/138708093.db2.gz XLPLYVKHCJANFK-CQSZACIVSA-N 0 0 342.403 1.200 10 0 EDAERN NC(=S)c1cc2c(nc1N[C@@H]1CCCS(=O)(=O)C1)CCC2 ZINC000069144724 202269368 /nfs/dbraw/zinc/26/93/68/202269368.db2.gz CZALDHMAQPDEQD-SNVBAGLBSA-N 0 0 325.459 1.194 10 0 EDAERN Cc1nc(NC(=O)c2c(F)cccc2F)sc1S(N)(=O)=O ZINC000069367509 202275305 /nfs/dbraw/zinc/27/53/05/202275305.db2.gz NHKHUXSMKUTCKT-UHFFFAOYSA-N 0 0 333.341 1.629 10 0 EDAERN CS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1 ZINC000036109250 202316482 /nfs/dbraw/zinc/31/64/82/202316482.db2.gz DUEHPYHEAKMTPN-HNNXBMFYSA-N 0 0 335.429 1.251 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC000036124230 202316580 /nfs/dbraw/zinc/31/65/80/202316580.db2.gz NKPBHHPYXXWLKH-TXEJJXNPSA-N 0 0 332.491 1.786 10 0 EDAERN CCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C ZINC000036109120 202316738 /nfs/dbraw/zinc/31/67/38/202316738.db2.gz VREGFYJLFMAWKX-HNNXBMFYSA-N 0 0 337.445 1.543 10 0 EDAERN CC[C@@H](C)NS(=O)(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000036175898 202317614 /nfs/dbraw/zinc/31/76/14/202317614.db2.gz XRANEWOHHCQMIX-GFCCVEGCSA-N 0 0 348.490 1.197 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(C(N)=S)cc2)C[C@H](C)S1 ZINC000070387528 202332892 /nfs/dbraw/zinc/33/28/92/202332892.db2.gz MVEGZRRQDCOQSK-UWVGGRQHSA-N 0 0 330.500 1.835 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(N)=S)c2)C[C@@H](C)S1 ZINC000070387541 202332954 /nfs/dbraw/zinc/33/29/54/202332954.db2.gz FRXKSFCPIPULKQ-GHMZBOCLSA-N 0 0 344.527 1.976 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(N)cc(S(C)(=O)=O)c2)C[C@H](C)S1 ZINC000070381533 202334648 /nfs/dbraw/zinc/33/46/48/202334648.db2.gz FYVAGROJKNMJSE-AOOOYVTPSA-N 0 0 328.459 1.638 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2N)CCO1 ZINC000037054940 202335191 /nfs/dbraw/zinc/33/51/91/202335191.db2.gz PMDJNVMWZASDIY-QMMMGPOBSA-N 0 0 335.223 1.441 10 0 EDAERN COC(=O)[C@](C)(O)COc1cccc(I)c1 ZINC000070713196 202337597 /nfs/dbraw/zinc/33/75/97/202337597.db2.gz JTHFLGVSNSAMGI-LLVKDONJSA-N 0 0 336.125 1.594 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCNC(=O)C(C)C)C(C)C ZINC000036656200 202328442 /nfs/dbraw/zinc/32/84/42/202328442.db2.gz GHCDXJJQRWRZBT-INIZCTEOSA-N 0 0 347.459 1.638 10 0 EDAERN O=Cc1cc(Cl)cc(Cl)c1O[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693061 202353714 /nfs/dbraw/zinc/35/37/14/202353714.db2.gz ZDPNVYMVCHZTDT-UWVGGRQHSA-N 0 0 325.169 1.343 10 0 EDAERN CCOC(=O)c1ncsc1Nc1cccc(S(N)(=O)=O)c1 ZINC000071201554 202340003 /nfs/dbraw/zinc/34/00/03/202340003.db2.gz MELLTDQESJPGHB-UHFFFAOYSA-N 0 0 327.387 1.711 10 0 EDAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cnccc2Cl)C1 ZINC000071203477 202340041 /nfs/dbraw/zinc/34/00/41/202340041.db2.gz XCCKVVABNLJFFE-JTQLQIEISA-N 0 0 332.809 1.699 10 0 EDAERN NC(=S)c1cc(S(=O)(=O)NCc2ccsc2)ccc1F ZINC000071248329 202342712 /nfs/dbraw/zinc/34/27/12/202342712.db2.gz WRZGPPYJBOCBFS-UHFFFAOYSA-N 0 0 330.431 2.000 10 0 EDAERN Cc1ncc(CNS(=O)(=O)c2ccc(F)c(C(N)=S)c2)s1 ZINC000071247388 202342776 /nfs/dbraw/zinc/34/27/76/202342776.db2.gz YTSQUFBTMLSRDM-UHFFFAOYSA-N 0 0 345.446 1.703 10 0 EDAERN CO[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000071247945 202343147 /nfs/dbraw/zinc/34/31/47/202343147.db2.gz OUWSXHNGPOIHNT-NEPJUHHUSA-N 0 0 332.422 1.306 10 0 EDAERN CC1(C)COCCN1S(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000071247072 202343213 /nfs/dbraw/zinc/34/32/13/202343213.db2.gz GSYAOTLZPMCIQR-UHFFFAOYSA-N 0 0 332.422 1.259 10 0 EDAERN CN(Cc1ccccc1Br)S(=O)(=O)c1cn[nH]c1 ZINC000037732336 202355169 /nfs/dbraw/zinc/35/51/69/202355169.db2.gz WOYNTPFSYQFUTH-UHFFFAOYSA-N 0 0 330.207 1.993 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N(CC)CC(=O)NC ZINC000037843945 202370539 /nfs/dbraw/zinc/37/05/39/202370539.db2.gz DSZWXBHRLCVWNE-UHFFFAOYSA-N 0 0 330.226 1.869 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)c2cccnc2Cl)c(=O)n(C)c1 ZINC000038492066 202402873 /nfs/dbraw/zinc/40/28/73/202402873.db2.gz CBVSSJGHGHMWNJ-UHFFFAOYSA-N 0 0 334.763 1.388 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)CCO1 ZINC000041229038 202477445 /nfs/dbraw/zinc/47/74/45/202477445.db2.gz MJOSYMVELNWLIS-LBPRGKRZSA-N 0 0 340.445 1.624 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)CCO1 ZINC000041229036 202477756 /nfs/dbraw/zinc/47/77/56/202477756.db2.gz MJOSYMVELNWLIS-GFCCVEGCSA-N 0 0 340.445 1.624 10 0 EDAERN COCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000041210343 202477971 /nfs/dbraw/zinc/47/79/71/202477971.db2.gz OLJSDJAWBCHSQP-GFCCVEGCSA-N 0 0 344.408 1.452 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCCn2cc(C)cn2)C12CCOCC2 ZINC000185735511 138808139 /nfs/dbraw/zinc/80/81/39/138808139.db2.gz JWCLPLCXWNZEEX-GJZGRUSLSA-N 0 0 336.436 1.465 10 0 EDAERN CCn1ncc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3CO)cc21 ZINC000130619628 223165393 /nfs/dbraw/zinc/16/53/93/223165393.db2.gz UTRKOIDVWGMXST-HIFRSBDPSA-N 0 0 344.415 1.662 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3c(c(Cl)c1)OCO3)CC2 ZINC000114866138 201071373 /nfs/dbraw/zinc/07/13/73/201071373.db2.gz ZOWISZXZOQUPMO-JTQLQIEISA-N 0 0 348.790 1.967 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)CC2 ZINC000114867935 201071902 /nfs/dbraw/zinc/07/19/02/201071902.db2.gz XWXGFOFFDWMISQ-LBPRGKRZSA-N 0 0 332.791 1.808 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)CC2 ZINC000114864497 201072254 /nfs/dbraw/zinc/07/22/54/201072254.db2.gz ZXXZHWWSNUXTEZ-LBPRGKRZSA-N 0 0 339.403 1.175 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000112652546 201066655 /nfs/dbraw/zinc/06/66/55/201066655.db2.gz ODCKSLOZEHNORC-LBPRGKRZSA-N 0 0 342.790 1.862 10 0 EDAERN CCc1c(C(=O)N[C@H]2CCc3ncnn3C2)cnn1-c1ccccc1 ZINC000112662422 201066947 /nfs/dbraw/zinc/06/69/47/201066947.db2.gz ZBKFFTJWZJXFOJ-ZDUSSCGKSA-N 0 0 336.399 1.771 10 0 EDAERN CCOCCCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000047675879 201109345 /nfs/dbraw/zinc/10/93/45/201109345.db2.gz PUVZBHDPZMEUMR-CYBMUJFWSA-N 0 0 326.418 1.631 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCSC2)c(N)c1 ZINC000136310757 201131626 /nfs/dbraw/zinc/13/16/26/201131626.db2.gz JTXJZGVHETWTFY-JTQLQIEISA-N 0 0 330.431 1.229 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)CC2 ZINC000136861446 201134332 /nfs/dbraw/zinc/13/43/32/201134332.db2.gz MZKMKDTYACNWOX-CYBMUJFWSA-N 0 0 327.388 1.245 10 0 EDAERN COC[C@H](C)CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000139346677 201142394 /nfs/dbraw/zinc/14/23/94/201142394.db2.gz FFNXUMGHBLBUDZ-YPMHNXCESA-N 0 0 326.418 1.487 10 0 EDAERN CN(CC(=O)N[C@@H]1COc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000058728623 201142878 /nfs/dbraw/zinc/14/28/78/201142878.db2.gz RXQPYVNIZXEWJD-OAHLLOKOSA-N 0 0 346.408 1.557 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cccc3ccccc32)C1)C1CC1 ZINC000187926213 138829807 /nfs/dbraw/zinc/82/98/07/138829807.db2.gz DPCHPWXNHWXBKZ-UHFFFAOYSA-N 0 0 330.409 1.739 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000098033593 201386443 /nfs/dbraw/zinc/38/64/43/201386443.db2.gz KAHMYVHQPGDLEM-INIZCTEOSA-N 0 0 341.415 1.682 10 0 EDAERN COc1ccccc1OC[C@H]1SCCN1C(=O)Cn1ccnc1 ZINC000027617606 201388311 /nfs/dbraw/zinc/38/83/11/201388311.db2.gz MKYBDPSSWAGAKA-MRXNPFEDSA-N 0 0 333.413 1.872 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCCNc2ccccc21 ZINC000156015474 201399381 /nfs/dbraw/zinc/39/93/81/201399381.db2.gz FOLPKCFKYQLBGM-UHFFFAOYSA-N 0 0 325.415 1.756 10 0 EDAERN COc1ccc(C(=O)NC[C@@H]2Oc3ccccc3NC2=O)cc1OC ZINC000049738976 202627904 /nfs/dbraw/zinc/62/79/04/202627904.db2.gz WNPRVCJFCSRTEU-INIZCTEOSA-N 0 0 342.351 1.833 10 0 EDAERN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)[C@@H]1CNC(=O)C1 ZINC000188777686 138851632 /nfs/dbraw/zinc/85/16/32/138851632.db2.gz IIIKUEOWMDWWPA-QWRGUYRKSA-N 0 0 338.791 1.830 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(N)ccc1Br)[C@H]1CCOC1 ZINC000165909376 201421671 /nfs/dbraw/zinc/42/16/71/201421671.db2.gz BPEDNZVUUOGFNH-IUCAKERBSA-N 0 0 349.250 1.735 10 0 EDAERN CN1CCN(C(=O)CCS(C)(=O)=O)C[C@H]1c1ccc(F)cc1 ZINC000062259646 202795608 /nfs/dbraw/zinc/79/56/08/202795608.db2.gz FRMQDIAHKSQANC-AWEZNQCLSA-N 0 0 328.409 1.076 10 0 EDAERN O=S1(=O)C[C@@H]2NC(=S)N(c3ccccc3Br)[C@@H]2C1 ZINC000003092915 201557426 /nfs/dbraw/zinc/55/74/26/201557426.db2.gz VXRWOIFKPZMXGT-WCBMZHEXSA-N 0 0 347.259 1.309 10 0 EDAERN Cc1noc([C@@H]2COCCN2CCOCC(F)(F)C(F)F)n1 ZINC000189921020 138882834 /nfs/dbraw/zinc/88/28/34/138882834.db2.gz ODSVGHABGJCOQQ-VIFPVBQESA-N 0 0 327.278 1.668 10 0 EDAERN CO[C@H](CNC(=O)N1CC(NC(C)=O)C1)c1cccc(Cl)c1 ZINC000190227922 138887514 /nfs/dbraw/zinc/88/75/14/138887514.db2.gz AJIABGJXEAZSAY-CQSZACIVSA-N 0 0 325.796 1.557 10 0 EDAERN O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)c1ccccn1 ZINC000005397213 201649251 /nfs/dbraw/zinc/64/92/51/201649251.db2.gz IFPVAWAVRODZSG-BSDSXHPESA-N 0 0 340.379 1.563 10 0 EDAERN COc1cccc(CCS(=O)(=O)NCC(=O)N2CCCCC2)c1 ZINC000062518276 202799197 /nfs/dbraw/zinc/79/91/97/202799197.db2.gz NTSQQBYCMXKUEX-UHFFFAOYSA-N 0 0 340.445 1.170 10 0 EDAERN O=C(c1cc2c(s1)CC[C@H](C(=O)N1CCOCC1)C2)N1CCCC1 ZINC000065273174 202833080 /nfs/dbraw/zinc/83/30/80/202833080.db2.gz IFCOLIIOIZUWQL-ZDUSSCGKSA-N 0 0 348.468 1.948 10 0 EDAERN NS(=O)(=O)c1cc(Br)ccc1OC1CCOCC1 ZINC000068955676 202977101 /nfs/dbraw/zinc/97/71/01/202977101.db2.gz JTAREZRXYAYFCW-UHFFFAOYSA-N 0 0 336.207 1.654 10 0 EDAERN O=C(c1cnccn1)N1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000069664308 203033922 /nfs/dbraw/zinc/03/39/22/203033922.db2.gz ZGESGLWYJVROGR-XMMPIXPASA-N 0 0 344.440 1.042 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)N3CCCCC3)n2)n1 ZINC000070874934 203083002 /nfs/dbraw/zinc/08/30/02/203083002.db2.gz WTJMUEFRBRWEON-AWEZNQCLSA-N 0 0 329.404 1.619 10 0 EDAERN Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)N3CCCCC3)n2)n1 ZINC000070874938 203083049 /nfs/dbraw/zinc/08/30/49/203083049.db2.gz WTJMUEFRBRWEON-CQSZACIVSA-N 0 0 329.404 1.619 10 0 EDAERN O=C(NC[C@H]1CCC(=O)N1)c1ccc(I)cc1 ZINC000070990748 203084860 /nfs/dbraw/zinc/08/48/60/203084860.db2.gz XQWQJOHDLRRAKW-SNVBAGLBSA-N 0 0 344.152 1.300 10 0 EDAERN CCOC(=O)CS(=O)(=O)NCc1ccc(Br)s1 ZINC000070978698 203085058 /nfs/dbraw/zinc/08/50/58/203085058.db2.gz TXEHXNJGPDKMRM-UHFFFAOYSA-N 0 0 342.236 1.493 10 0 EDAERN Nc1ncccc1S(=O)(=O)NCc1ccc(Br)s1 ZINC000071321208 203092505 /nfs/dbraw/zinc/09/25/05/203092505.db2.gz YFIKIIJHYVZWIP-UHFFFAOYSA-N 0 0 348.247 1.966 10 0 EDAERN COC(=O)c1cnn2c1nnc1c2ccn(-c2ccccc2C)c1=O ZINC000072466106 203229445 /nfs/dbraw/zinc/22/94/45/203229445.db2.gz RDPBOMKCVCGJMM-UHFFFAOYSA-N 0 0 335.323 1.523 10 0 EDAERN O=c1c2cnc3ccnn3c2ccn1Cc1ccc2c(c1)OCCO2 ZINC000072471121 203231065 /nfs/dbraw/zinc/23/10/65/203231065.db2.gz DGMHJJGYTMHMPK-UHFFFAOYSA-N 0 0 334.335 1.864 10 0 EDAERN CSCC[C@H](NC(=O)[C@H](C)NC(C)=O)c1nc2ccccc2[nH]1 ZINC000072498214 203234497 /nfs/dbraw/zinc/23/44/97/203234497.db2.gz HQFMVEHSULCXCM-HZMBPMFUSA-N 0 0 334.445 1.998 10 0 EDAERN CC(C)CNC(=O)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000019966824 212091165 /nfs/dbraw/zinc/09/11/65/212091165.db2.gz GBDFJFZOYLZUFI-UHFFFAOYSA-N 0 0 339.189 1.751 10 0 EDAERN O=C([C@@H]1CSCCC(=O)N1)N1CCN(c2ccc(F)cc2)CC1 ZINC000075171089 203309491 /nfs/dbraw/zinc/30/94/91/203309491.db2.gz OJIZTQZPFVOIBS-AWEZNQCLSA-N 0 0 337.420 1.096 10 0 EDAERN O=C(Cc1ccc[nH]1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000075042000 203299735 /nfs/dbraw/zinc/29/97/35/203299735.db2.gz XUVQKFUMGGFAQM-UHFFFAOYSA-N 0 0 347.440 1.480 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 ZINC000075520140 203316079 /nfs/dbraw/zinc/31/60/79/203316079.db2.gz QBTCPYRNWCTJTP-GWCFXTLKSA-N 0 0 345.428 1.684 10 0 EDAERN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000075530956 203317459 /nfs/dbraw/zinc/31/74/59/203317459.db2.gz DYWNEHGHFALRHA-RNCFNFMXSA-N 0 0 346.836 1.403 10 0 EDAERN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000075525319 203317664 /nfs/dbraw/zinc/31/76/64/203317664.db2.gz BMLKYZHLXJCQJA-TVQRCGJNSA-N 0 0 341.433 1.217 10 0 EDAERN CN(CC(=O)Oc1ccc(F)cc1Br)S(C)(=O)=O ZINC000075720008 203322864 /nfs/dbraw/zinc/32/28/64/203322864.db2.gz JZNYPCULVWOKAO-UHFFFAOYSA-N 0 0 340.170 1.385 10 0 EDAERN Cc1ccc(CN2C[C@@H](C(=O)N3[C@H](C)COC[C@@H]3C)CC2=O)cc1 ZINC000076363147 203350167 /nfs/dbraw/zinc/35/01/67/203350167.db2.gz WUFJPOQCGLCHPV-UXLLHSPISA-N 0 0 330.428 1.979 10 0 EDAERN CSCCCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000077548296 203394758 /nfs/dbraw/zinc/39/47/58/203394758.db2.gz QGWVMLJUIFJKNW-LBPRGKRZSA-N 0 0 328.459 1.957 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccccc1Cl ZINC000083754886 203519449 /nfs/dbraw/zinc/51/94/49/203519449.db2.gz JOGYOEXOGJXSMF-LBPRGKRZSA-N 0 0 333.779 1.830 10 0 EDAERN COC(=O)C1(N(C)C(=O)[C@@H](C)NC(=O)c2ccco2)CCCCC1 ZINC000089389986 203576184 /nfs/dbraw/zinc/57/61/84/203576184.db2.gz XKFIKQRWKUOLPX-GFCCVEGCSA-N 0 0 336.388 1.732 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CO)ncc1Br ZINC000194062128 138984976 /nfs/dbraw/zinc/98/49/76/138984976.db2.gz GMOZDFJCLDXIQH-VIFPVBQESA-N 0 0 342.193 1.074 10 0 EDAERN O=C(N[C@H]1CCc2ccccc21)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000333922609 284231974 /nfs/dbraw/zinc/23/19/74/284231974.db2.gz ROJZMEUDOKJHEB-RDJZCZTQSA-N 0 0 342.443 1.280 10 0 EDAERN COCCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)OC)c1 ZINC000101439561 204008453 /nfs/dbraw/zinc/00/84/53/204008453.db2.gz LGGCYIWKZWMGCK-UHFFFAOYSA-N 0 0 341.367 1.962 10 0 EDAERN COC[C@@H](C)C(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000103426955 204079000 /nfs/dbraw/zinc/07/90/00/204079000.db2.gz SNRXGPPVVHZEJX-CQSZACIVSA-N 0 0 336.432 1.631 10 0 EDAERN Cc1cccc2[nH]cc(CCNC(=O)NC[C@@H]3CN(C)CCO3)c21 ZINC000104797328 204119106 /nfs/dbraw/zinc/11/91/06/204119106.db2.gz KPBGLNNREXOGFG-OAHLLOKOSA-N 0 0 330.432 1.649 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2cnn(Cc3ccccc3)c2)C1 ZINC000104789937 204120539 /nfs/dbraw/zinc/12/05/39/204120539.db2.gz LVJWSMDIBYGDJM-QGZVFWFLSA-N 0 0 343.431 1.061 10 0 EDAERN O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCO[C@H](Cn2cccn2)C1 ZINC000151856866 204121261 /nfs/dbraw/zinc/12/12/61/204121261.db2.gz MTKHWXGGFWJJQY-HOCLYGCPSA-N 0 0 331.347 1.253 10 0 EDAERN O=C([C@H]1Cc2cc(F)ccc2O1)N1CCO[C@H](Cn2cccn2)C1 ZINC000151857015 204121711 /nfs/dbraw/zinc/12/17/11/204121711.db2.gz MTKHWXGGFWJJQY-GOEBONIOSA-N 0 0 331.347 1.253 10 0 EDAERN CN(c1cccnn1)C1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000105806751 204162659 /nfs/dbraw/zinc/16/26/59/204162659.db2.gz OVJFLGHOTGGZLK-KRWDZBQOSA-N 0 0 325.416 1.604 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3cccc(Cl)n3)CC2)n1 ZINC000105820121 204163703 /nfs/dbraw/zinc/16/37/03/204163703.db2.gz KGEWWXZMKUPBIO-UHFFFAOYSA-N 0 0 347.806 1.886 10 0 EDAERN Cc1noc(C)c1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105817039 204164379 /nfs/dbraw/zinc/16/43/79/204164379.db2.gz GEYOKVAHJVJEMA-MRXNPFEDSA-N 0 0 329.400 1.783 10 0 EDAERN CCOc1ccccc1NC(=O)CN1CCN(CCOC)[C@H](C)C1 ZINC000105832125 204167628 /nfs/dbraw/zinc/16/76/28/204167628.db2.gz OAAPPOSFVLICIX-OAHLLOKOSA-N 0 0 335.448 1.676 10 0 EDAERN O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CNC(=O)C1 ZINC000194875290 139001747 /nfs/dbraw/zinc/00/17/47/139001747.db2.gz PIAPZGKUQRFKSN-LBPRGKRZSA-N 0 0 337.370 1.182 10 0 EDAERN COc1ccccc1CN(C(=O)NC[C@H]1CN(C)CCO1)C1CC1 ZINC000105281272 204140131 /nfs/dbraw/zinc/14/01/31/204140131.db2.gz FITAIDSHSYIZEI-INIZCTEOSA-N 0 0 333.432 1.700 10 0 EDAERN CN(CCc1ccc(Br)cc1)C(=O)[C@H]1CNC(=O)C1 ZINC000106667315 204207516 /nfs/dbraw/zinc/20/75/16/204207516.db2.gz SJGVHHRLFIWNHW-LLVKDONJSA-N 0 0 325.206 1.586 10 0 EDAERN COC(=O)c1occc1CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864280 204172317 /nfs/dbraw/zinc/17/23/17/204172317.db2.gz PGXZHOGZZWBHHS-LLVKDONJSA-N 0 0 334.376 1.636 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN([C@H]2CCOC2=O)CC1 ZINC000105870365 204172709 /nfs/dbraw/zinc/17/27/09/204172709.db2.gz TXBWCZRWLCIRAV-ZDUSSCGKSA-N 0 0 326.828 1.069 10 0 EDAERN CCCc1noc(CN2CCN([C@H](C)c3nc(CC)no3)CC2)n1 ZINC000105865293 204172884 /nfs/dbraw/zinc/17/28/84/204172884.db2.gz MTQXZGOTRVYIKF-GFCCVEGCSA-N 0 0 334.424 1.846 10 0 EDAERN Cc1ccccc1CCNC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105889262 204176186 /nfs/dbraw/zinc/17/61/86/204176186.db2.gz JAXBJFIZSYKLKJ-GOSISDBHSA-N 0 0 342.443 1.251 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)c3cccs3)C2)c1 ZINC000105885811 204176751 /nfs/dbraw/zinc/17/67/51/204176751.db2.gz LRBFUQFPQVDUGM-CYBMUJFWSA-N 0 0 332.429 1.847 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1cccc(Cl)c1 ZINC000105888878 204177113 /nfs/dbraw/zinc/17/71/13/204177113.db2.gz AHPFJZBSIAWADC-OAHLLOKOSA-N 0 0 334.807 1.876 10 0 EDAERN Cc1cnn(C[C@H]2CN(CC(=O)NCc3ccccc3C)CCO2)c1 ZINC000105891898 204177218 /nfs/dbraw/zinc/17/72/18/204177218.db2.gz BVQIEQJKDIGFST-GOSISDBHSA-N 0 0 342.443 1.517 10 0 EDAERN COc1ccc(CN(C)C(=O)CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000105923125 204179200 /nfs/dbraw/zinc/17/92/00/204179200.db2.gz YFJQXQWCUYDYMF-MRXNPFEDSA-N 0 0 343.431 1.582 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000107731478 204244418 /nfs/dbraw/zinc/24/44/18/204244418.db2.gz WDLLMBPDOKHBRC-LBPRGKRZSA-N 0 0 341.839 1.869 10 0 EDAERN CCN(CC(=O)Nc1c(F)cccc1F)Cc1nnnn1C(C)C ZINC000195015354 139004734 /nfs/dbraw/zinc/00/47/34/139004734.db2.gz NVIDYNHQXKLNKG-UHFFFAOYSA-N 0 0 338.362 1.993 10 0 EDAERN CCc1nnc2ccc(N(C)[C@H]3CCCN(c4cccnn4)C3)nn21 ZINC000109320006 204282710 /nfs/dbraw/zinc/28/27/10/204282710.db2.gz HIGZLKRTJHAEHN-ZDUSSCGKSA-N 0 0 338.419 1.582 10 0 EDAERN CCCCNC(=O)Cc1noc(-c2ccc(N3CCCC3)nn2)n1 ZINC000109452321 204285747 /nfs/dbraw/zinc/28/57/47/204285747.db2.gz UWJLWSGUKOUDLZ-UHFFFAOYSA-N 0 0 330.392 1.586 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000109089677 204276045 /nfs/dbraw/zinc/27/60/45/204276045.db2.gz XDZFRPRZQQSETN-NEPJUHHUSA-N 0 0 334.326 1.650 10 0 EDAERN CC(=O)N1CCN(C(=O)c2cc(N)ccc2Br)CC1 ZINC000045622659 204329578 /nfs/dbraw/zinc/32/95/78/204329578.db2.gz AHLXGZYESOXMBJ-UHFFFAOYSA-N 0 0 326.194 1.336 10 0 EDAERN CCOC(=O)CCN(C)S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000045664782 204329601 /nfs/dbraw/zinc/32/96/01/204329601.db2.gz OGQVZHNSRVMMBB-UHFFFAOYSA-N 0 0 338.788 1.635 10 0 EDAERN Cc1noc(CCCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000111000014 204330544 /nfs/dbraw/zinc/33/05/44/204330544.db2.gz MJWHKXZFYDZMLX-LBPRGKRZSA-N 0 0 338.408 1.826 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000111344448 204353087 /nfs/dbraw/zinc/35/30/87/204353087.db2.gz DSFBIGYQJGYGSL-LBPRGKRZSA-N 0 0 345.469 1.033 10 0 EDAERN CN1CCN(C(=O)COc2c(Br)cccc2C=O)CC1 ZINC000048796315 204354131 /nfs/dbraw/zinc/35/41/31/204354131.db2.gz KMYLKMOSTLPKNE-UHFFFAOYSA-N 0 0 341.205 1.414 10 0 EDAERN CCNC(=O)NC(=O)[C@H](C)NCc1ccccc1Br ZINC000048820724 204357695 /nfs/dbraw/zinc/35/76/95/204357695.db2.gz JHWDJNIRAYIHTL-VIFPVBQESA-N 0 0 328.210 1.773 10 0 EDAERN CN(C[C@H]1CCCO1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000048950002 204360698 /nfs/dbraw/zinc/36/06/98/204360698.db2.gz LRIKBLAOEBHHEM-MRVPVSSYSA-N 0 0 335.838 1.849 10 0 EDAERN O=S(=O)(NCCn1cccn1)c1c(Cl)nc2sccn21 ZINC000049077956 204366398 /nfs/dbraw/zinc/36/63/98/204366398.db2.gz RPLAEVWKBVWXPF-UHFFFAOYSA-N 0 0 331.810 1.224 10 0 EDAERN COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000049063388 204367038 /nfs/dbraw/zinc/36/70/38/204367038.db2.gz JERBCNWCPJCSJQ-LURJTMIESA-N 0 0 326.296 1.591 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111741681 204370884 /nfs/dbraw/zinc/37/08/84/204370884.db2.gz VFNYMWDQZFVMQE-CQSZACIVSA-N 0 0 343.387 1.223 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3cccc(C)c3)CCO2)c1 ZINC000111229337 204343304 /nfs/dbraw/zinc/34/33/04/204343304.db2.gz SNGLVDPUPYDUEC-SFHVURJKSA-N 0 0 342.443 1.517 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1sccc1Br ZINC000112650923 204408372 /nfs/dbraw/zinc/40/83/72/204408372.db2.gz DCIUSMNGVNMFNM-SSDOTTSWSA-N 0 0 327.207 1.847 10 0 EDAERN COc1cccc(CO[C@H](C)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112662544 204410359 /nfs/dbraw/zinc/41/03/59/204410359.db2.gz SOKNHTGCNPGALL-TZMCWYRMSA-N 0 0 330.388 1.323 10 0 EDAERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112663343 204410550 /nfs/dbraw/zinc/41/05/50/204410550.db2.gz OOTAAYGQAVKDQA-SMDDNHRTSA-N 0 0 347.444 1.225 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3cnn(CC)c3)CC2)n1 ZINC000112103741 204382485 /nfs/dbraw/zinc/38/24/85/204382485.db2.gz IKXUGJRYVIOGNX-GFCCVEGCSA-N 0 0 347.423 1.759 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cccc(N(C)C)c3)CCO2)c1 ZINC000112117813 204384540 /nfs/dbraw/zinc/38/45/40/204384540.db2.gz VBLPLWKAKXWLTR-KRWDZBQOSA-N 0 0 328.416 1.799 10 0 EDAERN NC(=O)CN(Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000112410880 204397404 /nfs/dbraw/zinc/39/74/04/204397404.db2.gz MMVQXWHVRPAMJO-GOSISDBHSA-N 0 0 328.412 1.552 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000195197938 139009927 /nfs/dbraw/zinc/00/99/27/139009927.db2.gz WVCHDVRWKNODKL-CQSZACIVSA-N 0 0 332.381 1.339 10 0 EDAERN CCN(C(=O)N[C@H]1COc2ccccc21)[C@H](C)CS(=O)(=O)CC ZINC000113384442 204443427 /nfs/dbraw/zinc/44/34/27/204443427.db2.gz YQIMCVQYBREILN-OCCSQVGLSA-N 0 0 340.445 1.975 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1nnc2n1CCCC2)N1CCOCC1 ZINC000195511271 139018688 /nfs/dbraw/zinc/01/86/88/139018688.db2.gz CUBHQDVKUSDZRQ-CQSZACIVSA-N 0 0 333.436 1.000 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000195519864 139019625 /nfs/dbraw/zinc/01/96/25/139019625.db2.gz IFGDCCBJTPJEFE-MELADBBJSA-N 0 0 341.477 1.711 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000195519873 139019840 /nfs/dbraw/zinc/01/98/40/139019840.db2.gz WCJGJGSTGIJIMO-ZDUSSCGKSA-N 0 0 341.477 1.903 10 0 EDAERN Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118673347 204604831 /nfs/dbraw/zinc/60/48/31/204604831.db2.gz DLEVMOZTEODNRB-OAHLLOKOSA-N 0 0 342.447 1.545 10 0 EDAERN CC(C)[NH+](CCNS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(C)C ZINC000236791310 139031439 /nfs/dbraw/zinc/03/14/39/139031439.db2.gz LTEWXSMPJSFKLT-UHFFFAOYSA-N 0 0 348.490 1.772 10 0 EDAERN O=C(N[C@@H](CCCO)c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000155355620 205010090 /nfs/dbraw/zinc/01/00/90/205010090.db2.gz HSFDDZXGJDCOTK-GJZGRUSLSA-N 0 0 329.404 1.406 10 0 EDAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCC(Cn2cccn2)CC1 ZINC000126107820 205039873 /nfs/dbraw/zinc/03/98/73/205039873.db2.gz UJJWVRHMYUWJAX-UHFFFAOYSA-N 0 0 340.383 1.766 10 0 EDAERN O=C(CNC(=O)OCC(F)(F)F)N1CCC(Cn2cccn2)CC1 ZINC000126419504 205055750 /nfs/dbraw/zinc/05/57/50/205055750.db2.gz FOEXXAZCLYQZMM-UHFFFAOYSA-N 0 0 348.325 1.410 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccn(C)n2)no1 ZINC000127276697 205093724 /nfs/dbraw/zinc/09/37/24/205093724.db2.gz VHGZXFAWECIBHR-JTQLQIEISA-N 0 0 332.364 1.229 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cnn4c3CCCC4)CCO2)c1 ZINC000127428666 205101007 /nfs/dbraw/zinc/10/10/07/205101007.db2.gz SQTBSKCIUFPOFO-AWEZNQCLSA-N 0 0 329.404 1.266 10 0 EDAERN O=S(=O)(c1cncc(Br)c1)N1CCCCC[C@H]1CO ZINC000156817997 205128977 /nfs/dbraw/zinc/12/89/77/205128977.db2.gz XEERXLCZBOFQKL-NSHDSACASA-N 0 0 349.250 1.770 10 0 EDAERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000130253532 205229049 /nfs/dbraw/zinc/22/90/49/205229049.db2.gz GQVGRJVYDQWJHX-ZBEGNZNMSA-N 0 0 344.415 1.618 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000130477060 205242344 /nfs/dbraw/zinc/24/23/44/205242344.db2.gz JKFOXTHAMBGASC-INIZCTEOSA-N 0 0 348.443 1.454 10 0 EDAERN COC[C@@H](C)C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000157547257 205220295 /nfs/dbraw/zinc/22/02/95/205220295.db2.gz XLCYGTKNQSMVRJ-KGLIPLIRSA-N 0 0 336.432 1.929 10 0 EDAERN O=C(Nc1ccc(-c2ncon2)cc1)N[C@H]1CCc2ncnn2C1 ZINC000131802417 205303834 /nfs/dbraw/zinc/30/38/34/205303834.db2.gz NMBDYMYENXOZSQ-LBPRGKRZSA-N 0 0 325.332 1.465 10 0 EDAERN Cc1nn(C)c(COc2ccc(F)cc2S(N)(=O)=O)c1Cl ZINC000147250308 205362679 /nfs/dbraw/zinc/36/26/79/205362679.db2.gz NQBDGORTIRXMMD-UHFFFAOYSA-N 0 0 333.772 1.747 10 0 EDAERN CC(C)(C)c1nc(CCNC(=O)N[C@H]2CCc3ncnn3C2)cs1 ZINC000133754440 205377187 /nfs/dbraw/zinc/37/71/87/205377187.db2.gz MNEYRFZSCXFKOR-NSHDSACASA-N 0 0 348.476 1.889 10 0 EDAERN CCc1n[nH]c(=O)c(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1CC ZINC000135746150 205477280 /nfs/dbraw/zinc/47/72/80/205477280.db2.gz YKTBCBLWFDVJIC-LBPRGKRZSA-N 0 0 344.419 1.039 10 0 EDAERN C[C@@H](O)C(C)(C)NS(=O)(=O)c1cc(Br)ccc1N ZINC000144743610 205560308 /nfs/dbraw/zinc/56/03/08/205560308.db2.gz JYQNZMINLMUZFB-SSDOTTSWSA-N 0 0 337.239 1.469 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncnn1C ZINC000151058933 205606675 /nfs/dbraw/zinc/60/66/75/205606675.db2.gz BVANPGFZPDHTAT-GFCCVEGCSA-N 0 0 335.795 1.862 10 0 EDAERN CCOCCCCNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000111831619 220202111 /nfs/dbraw/zinc/20/21/11/220202111.db2.gz TYYSOJBEXDQZLS-ZDUSSCGKSA-N 0 0 339.440 1.583 10 0 EDAERN O=C(C1CCN(c2cnccn2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151558716 205651979 /nfs/dbraw/zinc/65/19/79/205651979.db2.gz BJKVZTBWVAQYJV-APWZRJJASA-N 0 0 344.459 1.847 10 0 EDAERN C[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccc2ccccc2c1 ZINC000245710991 139084019 /nfs/dbraw/zinc/08/40/19/139084019.db2.gz CIFPYIXJMFARKU-GUYCJALGSA-N 0 0 341.411 1.203 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000155871208 206039648 /nfs/dbraw/zinc/03/96/48/206039648.db2.gz SINXBWKXAPZTDL-HNNXBMFYSA-N 0 0 327.446 1.515 10 0 EDAERN CC(C)Cn1ncc(C(=O)N[C@H]2CCc3ncnn3C2)c1C1CC1 ZINC000156782826 206099629 /nfs/dbraw/zinc/09/96/29/206099629.db2.gz ATBIRDAIJZLENQ-ZDUSSCGKSA-N 0 0 328.420 1.753 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1F ZINC000157076106 206114758 /nfs/dbraw/zinc/11/47/58/206114758.db2.gz YBWBORFBVKGIIT-JTQLQIEISA-N 0 0 342.371 1.932 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(Br)cnc1N)C1CCC1 ZINC000157554543 206142894 /nfs/dbraw/zinc/14/28/94/206142894.db2.gz CGXVRDWWUPKXAZ-ZETCQYMHSA-N 0 0 334.239 1.893 10 0 EDAERN O=S1(=O)C[C@@H](O)[C@H](Oc2cc(F)cc(Br)c2)C1 ZINC000157349742 206130546 /nfs/dbraw/zinc/13/05/46/206130546.db2.gz VPSQTJYRZHTZLR-NXEZZACHSA-N 0 0 325.155 1.125 10 0 EDAERN [NH3+][C@@H](Cc1cn(-c2ccc(F)c(Br)c2)nn1)C(=O)[O-] ZINC000157615184 206147549 /nfs/dbraw/zinc/14/75/49/206147549.db2.gz PTOIZZDFDWWEMM-JTQLQIEISA-N 0 0 329.129 1.123 10 0 EDAERN CN(CCS(C)(=O)=O)c1cc(Br)c(F)cc1N ZINC000157931829 206163502 /nfs/dbraw/zinc/16/35/02/206163502.db2.gz GWEGJOVJWUHZSA-UHFFFAOYSA-N 0 0 325.203 1.651 10 0 EDAERN CCCN1CCN(Cc2cncc(Br)c2)C(=O)C1=O ZINC000158225894 206181200 /nfs/dbraw/zinc/18/12/00/206181200.db2.gz LFHWAAXUEDECTG-UHFFFAOYSA-N 0 0 326.194 1.425 10 0 EDAERN Nc1nc2cc(Br)cnc2n1C1CCS(=O)CC1 ZINC000158568597 206198791 /nfs/dbraw/zinc/19/87/91/206198791.db2.gz BKCUUCNMDLUQSS-UHFFFAOYSA-N 0 0 329.223 1.860 10 0 EDAERN CC(C)CNC(=O)[C@H](C)Nc1ncc(I)cn1 ZINC000159156329 206228805 /nfs/dbraw/zinc/22/88/05/206228805.db2.gz AKIYXUCDLPOZTJ-QMMMGPOBSA-N 0 0 348.188 1.654 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c(C)o1 ZINC000246056179 139093336 /nfs/dbraw/zinc/09/33/36/139093336.db2.gz BDBNQHBXFQHALI-LBPRGKRZSA-N 0 0 342.417 1.233 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CC=CCC2)ncn1 ZINC000246105427 139095077 /nfs/dbraw/zinc/09/50/77/139095077.db2.gz HLCUYPCKQIXGTH-ZIAGYGMSSA-N 0 0 330.436 1.895 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCc3nc(CC)nn3C2)C12CCC2 ZINC000246198894 139098692 /nfs/dbraw/zinc/09/86/92/139098692.db2.gz MWBMXVKHLYMMJF-MGPQQGTHSA-N 0 0 347.463 1.802 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)c1ccc(F)c(Cl)c1 ZINC000246417680 139107666 /nfs/dbraw/zinc/10/76/66/139107666.db2.gz JPXPHFCKBFWPBR-PLMOITTCSA-N 0 0 343.786 1.872 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)CCO2)[nH]1 ZINC000246608858 139114946 /nfs/dbraw/zinc/11/49/46/139114946.db2.gz DKYFYFKSSYXSRC-CRWXNKLISA-N 0 0 349.435 1.408 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@H]2CSCCS2)C[C@H]1N1CCOCC1 ZINC000246671233 139117247 /nfs/dbraw/zinc/11/72/47/139117247.db2.gz LJKWJDUTQUZKEL-HZSPNIEDSA-N 0 0 330.519 1.404 10 0 EDAERN O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCN2CCCC[C@H]2C1 ZINC000246925859 139127203 /nfs/dbraw/zinc/12/72/03/139127203.db2.gz DLXRZWIMDVMSEN-OALUTQOASA-N 0 0 343.471 1.584 10 0 EDAERN CCCN1Cc2cccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3O)c2C1 ZINC000247094754 139135236 /nfs/dbraw/zinc/13/52/36/139135236.db2.gz PZOUDGQQQAFSDD-DLBZAZTESA-N 0 0 345.443 1.770 10 0 EDAERN O=C1CC[C@@H]2CN(c3nc(Cl)ncc3Br)CC[C@@H]2N1 ZINC000160515782 206302470 /nfs/dbraw/zinc/30/24/70/206302470.db2.gz WKWYMUDJNONQPS-APPZFPTMSA-N 0 0 345.628 1.997 10 0 EDAERN O=S(=O)(NCc1nc[nH]n1)c1ccc(Br)cc1F ZINC000161884818 206376000 /nfs/dbraw/zinc/37/60/00/206376000.db2.gz OQDAORWFBYXYCR-UHFFFAOYSA-N 0 0 335.158 1.185 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2)C1 ZINC000162282454 206392991 /nfs/dbraw/zinc/39/29/91/206392991.db2.gz SGGNKNVKIWBBKV-AWEZNQCLSA-N 0 0 332.404 1.236 10 0 EDAERN COC[C@H](C)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000103386976 206401109 /nfs/dbraw/zinc/40/11/09/206401109.db2.gz HVAYKYRBTHVRRA-HNNXBMFYSA-N 0 0 348.443 1.581 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000105281904 206443542 /nfs/dbraw/zinc/44/35/42/206443542.db2.gz WYLINVQRNZKLQH-NSHDSACASA-N 0 0 348.325 1.475 10 0 EDAERN CCOCCN1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000247240676 139142061 /nfs/dbraw/zinc/14/20/61/139142061.db2.gz SIDJIZTWZITXHY-ZACQAIPSSA-N 0 0 325.497 1.819 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)CC1 ZINC000247442221 139148719 /nfs/dbraw/zinc/14/87/19/139148719.db2.gz NSHBXFDXYKQUDR-HQRMLTQVSA-N 0 0 328.456 1.806 10 0 EDAERN C[C@]1(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)COC[C@@H]1[NH3+] ZINC000166645409 206533021 /nfs/dbraw/zinc/53/30/21/206533021.db2.gz OCBIFEQDVQYUML-GWCFXTLKSA-N 0 0 343.177 1.450 10 0 EDAERN CC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nccs1 ZINC000169871410 206566836 /nfs/dbraw/zinc/56/68/36/206566836.db2.gz SRFLEVIBUTUGJX-NSHDSACASA-N 0 0 343.405 1.978 10 0 EDAERN CC[C@H]1NC(=O)C[C@@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168916312 206547143 /nfs/dbraw/zinc/54/71/43/206547143.db2.gz CRJBLUMRDOFSHO-BXKDBHETSA-N 0 0 340.221 1.860 10 0 EDAERN COC(=O)c1ccccc1C(=O)N1CCN(c2nnc(C)s2)CC1 ZINC000170487937 206576397 /nfs/dbraw/zinc/57/63/97/206576397.db2.gz WADYOGIIDMPBBD-UHFFFAOYSA-N 0 0 346.412 1.596 10 0 EDAERN CS(=O)(=O)Cc1nc(CN2CCO[C@@H]3CCCC[C@H]32)cs1 ZINC000247524595 139151189 /nfs/dbraw/zinc/15/11/89/139151189.db2.gz NSKFXFRVICFACP-CHWSQXEVSA-N 0 0 330.475 1.831 10 0 EDAERN CO[C@H](C)[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)OC ZINC000248958139 139181623 /nfs/dbraw/zinc/18/16/23/139181623.db2.gz GBZYPOHDNVUYAT-CTTWBBHYSA-N 0 0 328.453 1.482 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[C@H]1CCO)CC2 ZINC000249397846 139192741 /nfs/dbraw/zinc/19/27/41/139192741.db2.gz AYMFTZACKMGBOV-MJBXVCDLSA-N 0 0 335.452 1.567 10 0 EDAERN CCCCOCCNC(=O)CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000249756307 139198277 /nfs/dbraw/zinc/19/82/77/139198277.db2.gz KNKFCNIOYLPUQY-PMPSAXMXSA-N 0 0 340.464 1.725 10 0 EDAERN COC(=O)c1ccc(OC[C@H](O)CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000252648826 139204808 /nfs/dbraw/zinc/20/48/08/139204808.db2.gz NJJUAFYVQMIEGB-DLBZAZTESA-N 0 0 348.443 1.383 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)[C@H]1CCCO1 ZINC000172767814 206867932 /nfs/dbraw/zinc/86/79/32/206867932.db2.gz BDRUUOIDPXPDKI-NUEKZKHPSA-N 0 0 331.416 1.618 10 0 EDAERN Cc1cc(N2CCC[C@H](Nc3cc(Cl)nc(N)n3)C2=O)n(C)n1 ZINC000172810430 206870174 /nfs/dbraw/zinc/87/01/74/206870174.db2.gz WDBUTQQIBUJYKR-VIFPVBQESA-N 0 0 335.799 1.362 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2c(Cl)nc3ccccn32)C[C@@H]1C ZINC000174297230 207007787 /nfs/dbraw/zinc/00/77/87/207007787.db2.gz RJFMLBFTZWXIMY-NWDGAFQWSA-N 0 0 336.823 1.515 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000174564594 207032679 /nfs/dbraw/zinc/03/26/79/207032679.db2.gz ZHIBIBXGULRBHU-UHFFFAOYSA-N 0 0 329.360 1.368 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)[C@@H](O)c3ccccc3)CC2)nn1 ZINC000174649050 207042706 /nfs/dbraw/zinc/04/27/06/207042706.db2.gz UZNXOFJWHWUJSQ-KRWDZBQOSA-N 0 0 326.400 1.557 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000174663657 207044336 /nfs/dbraw/zinc/04/43/36/207044336.db2.gz BSUDCIBOPWGSJC-GFCCVEGCSA-N 0 0 340.420 1.540 10 0 EDAERN CCCc1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)[nH]n1 ZINC000174983013 207079132 /nfs/dbraw/zinc/07/91/32/207079132.db2.gz QOXRNBJURFRRKH-ZDUSSCGKSA-N 0 0 344.419 1.330 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccnc(F)c3)C2=O)n(C)n1 ZINC000174985176 207079913 /nfs/dbraw/zinc/07/99/13/207079913.db2.gz VJAJZFJOUIFBHA-LBPRGKRZSA-N 0 0 331.351 1.188 10 0 EDAERN CCc1nc(C2(NC(=O)c3ccc(C(N)=O)cn3)CCCC2)no1 ZINC000175130701 207096316 /nfs/dbraw/zinc/09/63/16/207096316.db2.gz IATAHKICMRHZFC-UHFFFAOYSA-N 0 0 329.360 1.325 10 0 EDAERN CC(C)NC(=O)[C@@H]1Cc2[nH]cnc2CN1C(=O)NCc1ccccc1 ZINC000012530172 207166224 /nfs/dbraw/zinc/16/62/24/207166224.db2.gz BJYQJJXCNJISLS-INIZCTEOSA-N 0 0 341.415 1.571 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)oc1C ZINC000175809476 207161191 /nfs/dbraw/zinc/16/11/91/207161191.db2.gz IIODDJIJINHZGG-GFCCVEGCSA-N 0 0 342.417 1.233 10 0 EDAERN O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@@H]1CCCn2ncnc21 ZINC000175893336 207171505 /nfs/dbraw/zinc/17/15/05/207171505.db2.gz JUHBZJGLUVEGFR-CQSZACIVSA-N 0 0 340.387 1.827 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000176169112 207197690 /nfs/dbraw/zinc/19/76/90/207197690.db2.gz IWVLAGYOANLHFC-GJZGRUSLSA-N 0 0 328.368 1.478 10 0 EDAERN CN[C@@H](C(=O)NC[C@@H](O)c1ccc(Cl)s1)c1cnn(C)c1 ZINC000262533481 139284735 /nfs/dbraw/zinc/28/47/35/139284735.db2.gz MIGNSCZRUBDJMY-BXKDBHETSA-N 0 0 328.825 1.245 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000176546622 207236870 /nfs/dbraw/zinc/23/68/70/207236870.db2.gz CGQICCGGBSKIEO-NSHDSACASA-N 0 0 345.407 1.058 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3C)C2)n1 ZINC000176647744 207246417 /nfs/dbraw/zinc/24/64/17/207246417.db2.gz XNHRLMXAHUCUIL-GFCCVEGCSA-N 0 0 347.444 1.838 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cnc1Cl ZINC000176747610 207256011 /nfs/dbraw/zinc/25/60/11/207256011.db2.gz CPERLAJCVSGQHT-JTQLQIEISA-N 0 0 327.797 1.448 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000176769710 207258784 /nfs/dbraw/zinc/25/87/84/207258784.db2.gz MZSNIQZZFHIVDC-NHYWBVRUSA-N 0 0 342.399 1.897 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000177202337 207307055 /nfs/dbraw/zinc/30/70/55/207307055.db2.gz ZUCVLBMSNFJEPH-OCCSQVGLSA-N 0 0 330.388 1.594 10 0 EDAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177392190 207330018 /nfs/dbraw/zinc/33/00/18/207330018.db2.gz SUGORKURVCBMMR-ZDUSSCGKSA-N 0 0 326.400 1.803 10 0 EDAERN O=C(CSC[C@@H](O)CO)N1CCN(c2cccc(Cl)c2)CC1 ZINC000177419216 207335132 /nfs/dbraw/zinc/33/51/32/207335132.db2.gz ZFZDJBSNZLVQBU-AWEZNQCLSA-N 0 0 344.864 1.075 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177414105 207333775 /nfs/dbraw/zinc/33/37/75/207333775.db2.gz XPWJOWZGGZYTTQ-MRXNPFEDSA-N 0 0 341.415 1.617 10 0 EDAERN Cc1csc(NC(=O)C(=O)N2CCO[C@@H](c3nccs3)C2)n1 ZINC000177521681 207348550 /nfs/dbraw/zinc/34/85/50/207348550.db2.gz SZPAXSWAWWZDHC-SECBINFHSA-N 0 0 338.414 1.447 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccn(-c2ccc(F)cc2)n1 ZINC000177526529 207348120 /nfs/dbraw/zinc/34/81/20/207348120.db2.gz FRTBYWGDUUDOOO-ZDUSSCGKSA-N 0 0 326.335 1.868 10 0 EDAERN O=C(NC[C@@H]1CCCO1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178920246 207551459 /nfs/dbraw/zinc/55/14/59/207551459.db2.gz SJQUXZIIAMNMGA-SLEUVZQESA-N 0 0 326.343 1.961 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1C ZINC000173999707 533050719 /nfs/dbraw/zinc/05/07/19/533050719.db2.gz KQQNOCJPKMVXKB-AWEZNQCLSA-N 0 0 340.445 1.099 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H]2CCCOCC2)ncn1 ZINC000181685931 533051340 /nfs/dbraw/zinc/05/13/40/533051340.db2.gz WACCOVTVBBJRCW-KGLIPLIRSA-N 0 0 348.451 1.355 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1c(C)noc1C)CC2 ZINC000114962335 220794288 /nfs/dbraw/zinc/79/42/88/220794288.db2.gz AHIOJENWNJHPJR-LBPRGKRZSA-N 0 0 332.408 1.302 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1CC ZINC000116977209 221017812 /nfs/dbraw/zinc/01/78/12/221017812.db2.gz MBCXGMOXDSLERS-OAHLLOKOSA-N 0 0 334.464 1.721 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)CCN1CCOC ZINC000117371758 221058644 /nfs/dbraw/zinc/05/86/44/221058644.db2.gz JTPBORQGBDRGFI-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN CCOCCN1CCN(C(=O)CCn2c(C)csc2=O)C[C@H]1C ZINC000117276549 221042047 /nfs/dbraw/zinc/04/20/47/221042047.db2.gz CBTNJCZHDSCDHW-CYBMUJFWSA-N 0 0 341.477 1.178 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(-n3cncn3)c2)C[C@H]1C ZINC000117294424 221047395 /nfs/dbraw/zinc/04/73/95/221047395.db2.gz PKFADBPKJWWROS-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000118081656 221113025 /nfs/dbraw/zinc/11/30/25/221113025.db2.gz OBTDJWBGPZABPG-OAHLLOKOSA-N 0 0 349.479 1.775 10 0 EDAERN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(Cc2ccon2)CC1 ZINC000173938687 533221046 /nfs/dbraw/zinc/22/10/46/533221046.db2.gz AHNYJDOQQQARFN-HNNXBMFYSA-N 0 0 340.427 1.770 10 0 EDAERN Cc1ncc(CN2CCN(C[C@H](C)CS(C)(=O)=O)CC2)s1 ZINC000118974239 221215266 /nfs/dbraw/zinc/21/52/66/221215266.db2.gz IOWYCBNZUXZGDO-LBPRGKRZSA-N 0 0 331.507 1.250 10 0 EDAERN Cc1cnc(C(=O)N2CCO[C@H]3[C@H]2CC[C@@H]3Oc2ccccn2)cn1 ZINC000253601092 257657312 /nfs/dbraw/zinc/65/73/12/257657312.db2.gz JCAVAAZUBNDQKY-VYDXJSESSA-N 0 0 340.383 1.631 10 0 EDAERN O=C(c1ccncc1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000253616331 257657340 /nfs/dbraw/zinc/65/73/40/257657340.db2.gz ARLVGDTYSNXHHI-IAGOWNOFSA-N 0 0 336.395 1.597 10 0 EDAERN COc1ccc(OC)c(Nc2ncnc(N3CCOCC3)c2N)c1 ZINC000040725053 132405794 /nfs/dbraw/zinc/40/57/94/132405794.db2.gz JHNWBMZMBIQMGZ-UHFFFAOYSA-N 0 0 331.376 1.656 10 0 EDAERN CCS(=O)(=O)NC[C@@H]1CN(c2ccc(C(C)C)cc2)C(=O)CO1 ZINC000041418901 132410680 /nfs/dbraw/zinc/41/06/80/132410680.db2.gz PRTDDPDAGQPBCA-OAHLLOKOSA-N 0 0 340.445 1.481 10 0 EDAERN Cc1cc2oc(=O)cc(CN3CCOC[C@@H]3C(N)=O)c2cc1C(C)C ZINC000092228521 292026668 /nfs/dbraw/zinc/02/66/68/292026668.db2.gz ZRFFLERUEWAJIT-MRXNPFEDSA-N 0 0 344.411 1.911 10 0 EDAERN CN1CCOC[C@@H]1C(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000329021853 140691138 /nfs/dbraw/zinc/69/11/38/140691138.db2.gz MIULNXCISWXOSD-SJORKVTESA-N 0 0 343.427 1.941 10 0 EDAERN Cn1c(=O)cc(C(=O)N2CCO[C@]3(CCCOC3)C2)c2ccccc21 ZINC000329190058 140699918 /nfs/dbraw/zinc/69/99/18/140699918.db2.gz RTKWQJNWHVICFF-LJQANCHMSA-N 0 0 342.395 1.560 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329851698 140771349 /nfs/dbraw/zinc/77/13/49/140771349.db2.gz TYSJLACWEUGXJX-UPJWGTAASA-N 0 0 336.392 1.813 10 0 EDAERN CN1C(=O)Cc2cc(NC(=O)N3CCC[C@@H](c4nnc[nH]4)C3)ccc21 ZINC000333012160 141249761 /nfs/dbraw/zinc/24/97/61/141249761.db2.gz GAURSRTVHNEBIB-LLVKDONJSA-N 0 0 340.387 1.735 10 0 EDAERN COC[C@H](NC(=O)N1CC[C@H](Oc2ccncc2)C1)[C@@H]1CCCO1 ZINC000333050450 141255563 /nfs/dbraw/zinc/25/55/63/141255563.db2.gz QDVYSJQBZJQCRY-JYJNAYRXSA-N 0 0 335.404 1.438 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 ZINC000333220483 141282911 /nfs/dbraw/zinc/28/29/11/141282911.db2.gz RTAMOBKQGQWFQE-UHFFFAOYSA-N 0 0 346.475 1.898 10 0 EDAERN COc1cnc(NC(=O)N2CCC[C@@H](Cc3nccn3C)C2)nc1 ZINC000333221286 141283138 /nfs/dbraw/zinc/28/31/38/141283138.db2.gz WCTABMNSPSGYSV-LBPRGKRZSA-N 0 0 330.392 1.705 10 0 EDAERN O=C(NCCN1CCc2ccccc2C1=O)NC[C@H]1CCSC1 ZINC000333471533 141322937 /nfs/dbraw/zinc/32/29/37/141322937.db2.gz WHAXGIXKQQHXKT-CYBMUJFWSA-N 0 0 333.457 1.737 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000333518038 141330541 /nfs/dbraw/zinc/33/05/41/141330541.db2.gz NHCQMXUCBOOQGO-OWCLPIDISA-N 0 0 339.480 1.696 10 0 EDAERN COCC(=O)N1CCC(N2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000329358960 292175019 /nfs/dbraw/zinc/17/50/19/292175019.db2.gz HSUQWEDLQBCVOI-UHFFFAOYSA-N 0 0 337.420 1.329 10 0 EDAERN COCC1CCC(NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1 ZINC000334111768 292262549 /nfs/dbraw/zinc/26/25/49/292262549.db2.gz CMAIHWGLCUJUPT-RDHHWEPZSA-N 0 0 339.480 1.696 10 0 EDAERN O=C(c1cccc(C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)n1)N1CCCC1 ZINC000333438678 161661545 /nfs/dbraw/zinc/66/15/45/161661545.db2.gz JFIAVYOYLPKYKM-CABCVRRESA-N 0 0 343.427 1.816 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)CCN2c3ccccc3CCC2=O)C1 ZINC000078078729 287292081 /nfs/dbraw/zinc/29/20/81/287292081.db2.gz HMTLRWSPLPWWTM-MRXNPFEDSA-N 0 0 343.427 1.483 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000079299198 287299959 /nfs/dbraw/zinc/29/99/59/287299959.db2.gz OFCPVNUFQUJAIK-CQSZACIVSA-N 0 0 330.363 1.752 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)C2)cn1 ZINC000116466655 287346827 /nfs/dbraw/zinc/34/68/27/287346827.db2.gz UKXIWYMVYWKNHU-NSHDSACASA-N 0 0 348.353 1.444 10 0 EDAERN CCn1ncc(Br)c1[C@H](O)[C@H]1CCCCS1(=O)=O ZINC000158777294 225082690 /nfs/dbraw/zinc/08/26/90/225082690.db2.gz MDENEBATOBICMV-MWLCHTKSSA-N 0 0 337.239 1.666 10 0 EDAERN [NH3+]CC1(CNc2nc[n-]c(=O)c2I)CCCC1 ZINC000165478315 226125682 /nfs/dbraw/zinc/12/56/82/226125682.db2.gz YOEHUBGMOLZNCL-UHFFFAOYSA-N 0 0 348.188 1.306 10 0 EDAERN C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(CN)oc2Br)C1 ZINC000165732864 226135295 /nfs/dbraw/zinc/13/52/95/226135295.db2.gz HKKBXNYNCWYSRW-HTQZYQBOSA-N 0 0 337.239 1.920 10 0 EDAERN O=C(CCOc1ccc(Br)cc1)N1CCOC[C@H]1CO ZINC000168626486 226219272 /nfs/dbraw/zinc/21/92/72/226219272.db2.gz BMMIXVBXPIOOCQ-GFCCVEGCSA-N 0 0 344.205 1.438 10 0 EDAERN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000168843669 226225178 /nfs/dbraw/zinc/22/51/78/226225178.db2.gz BEHLEAPBVQJKRG-YBYGRFCBSA-N 0 0 346.861 1.934 10 0 EDAERN C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000168843492 226225452 /nfs/dbraw/zinc/22/54/52/226225452.db2.gz BEHLEAPBVQJKRG-GSDQLPOLSA-N 0 0 346.861 1.934 10 0 EDAERN C[C@]1(C2CC2)C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168904631 226226535 /nfs/dbraw/zinc/22/65/35/226226535.db2.gz POWIMXWUOJOMRX-AWEZNQCLSA-N 0 0 338.205 1.471 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCN1CCCC1=O ZINC000122503638 222101889 /nfs/dbraw/zinc/10/18/89/222101889.db2.gz CXLKDCHSWANWNV-ZDUSSCGKSA-N 0 0 332.404 1.325 10 0 EDAERN CC(=O)NC1(C(=O)N2CC[C@H](Oc3cccnc3)C2)CCCCC1 ZINC000123264584 222245248 /nfs/dbraw/zinc/24/52/48/222245248.db2.gz DTHGNFCYFRUQDC-INIZCTEOSA-N 0 0 331.416 1.900 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cncc(I)c1 ZINC000123357227 222262096 /nfs/dbraw/zinc/26/20/96/222262096.db2.gz MLZXNSLPFSGWMJ-DTORHVGOSA-N 0 0 346.168 1.936 10 0 EDAERN CNc1c(Cl)ncnc1NCC1(S(C)(=O)=O)CCOCC1 ZINC000124983682 222505131 /nfs/dbraw/zinc/50/51/31/222505131.db2.gz PJFDEILQABLEKW-UHFFFAOYSA-N 0 0 334.829 1.177 10 0 EDAERN Cc1cc(C(=O)CN2CCCNC(=O)[C@H]2C)c(C)n1-c1nccs1 ZINC000189280053 272962764 /nfs/dbraw/zinc/96/27/64/272962764.db2.gz ONLWRPGMEMOQDP-CYBMUJFWSA-N 0 0 346.456 1.944 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCC(=O)N(C)C ZINC000193505210 272994973 /nfs/dbraw/zinc/99/49/73/272994973.db2.gz RLKLLNMSZZPBFJ-RHSMWYFYSA-N 0 0 347.459 1.816 10 0 EDAERN CCN1CCC[C@@H](NC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000194329568 273002548 /nfs/dbraw/zinc/00/25/48/273002548.db2.gz XICQTXLVVPOFQV-CYBMUJFWSA-N 0 0 325.434 1.696 10 0 EDAERN COCCN1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000194619050 273004275 /nfs/dbraw/zinc/00/42/75/273004275.db2.gz JXIDGPPRRYXODQ-QGZVFWFLSA-N 0 0 342.867 1.482 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCCCn2ccnn2)C1 ZINC000182987706 267659786 /nfs/dbraw/zinc/65/97/86/267659786.db2.gz LCIDGTYBBUFORA-QWHCGFSZSA-N 0 0 337.424 1.478 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)CNC(=O)NCc1ccco1 ZINC000172964378 272932731 /nfs/dbraw/zinc/93/27/31/272932731.db2.gz BQECVOHXKUSWNS-CQSZACIVSA-N 0 0 345.399 1.800 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000177651466 272941545 /nfs/dbraw/zinc/94/15/45/272941545.db2.gz NXHDVTUDKUZGIH-HNNXBMFYSA-N 0 0 328.372 1.058 10 0 EDAERN COCCCCS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000184808972 272945483 /nfs/dbraw/zinc/94/54/83/272945483.db2.gz ODHGUGUNLOBSNT-GFCCVEGCSA-N 0 0 330.454 1.062 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000245552817 287713411 /nfs/dbraw/zinc/71/34/11/287713411.db2.gz QTHMWMYCUKFDRK-OLZOCXBDSA-N 0 0 346.493 1.653 10 0 EDAERN C[C@@H]1CN(c2cc(N3C[C@H](C)O[C@@H](C)C3)n3ncnc3n2)C[C@H](C)O1 ZINC000251776854 274362166 /nfs/dbraw/zinc/36/21/66/274362166.db2.gz LEGGODQCHHSJDN-CRWXNKLISA-N 0 0 346.435 1.352 10 0 EDAERN C[C@@H]1C(=O)N(C)CCN1C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000249192077 287792531 /nfs/dbraw/zinc/79/25/31/287792531.db2.gz ALDYWMFJDKWKFO-KMFMINBZSA-N 0 0 343.427 1.285 10 0 EDAERN CC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)N2CCOCC2)C3)CC1 ZINC000065289531 275942781 /nfs/dbraw/zinc/94/27/81/275942781.db2.gz BVPADVAIXZHOQA-OAHLLOKOSA-N 0 0 344.459 1.677 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(-n3cccn3)n1)CC2 ZINC000135528521 276694798 /nfs/dbraw/zinc/69/47/98/276694798.db2.gz OQKYFTIZKQDWIV-LBPRGKRZSA-N 0 0 337.387 1.166 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@H]1CCCc2ccccc21 ZINC000184174439 278100089 /nfs/dbraw/zinc/10/00/89/278100089.db2.gz OLGLZPNQDQKNBP-ZDUSSCGKSA-N 0 0 326.356 1.618 10 0 EDAERN C[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@@H]1N1CCOCC1 ZINC000191916883 279826712 /nfs/dbraw/zinc/82/67/12/279826712.db2.gz DRYIRZGGUSXRCV-BBRMVZONSA-N 0 0 332.448 1.471 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N2CC[C@]3(CCOC3)C2)[C@@H]1c1ccc(F)cc1 ZINC000126299748 289833590 /nfs/dbraw/zinc/83/35/90/289833590.db2.gz KOHJOPWSXAHUIT-IEZWGBDMSA-N 0 0 346.402 1.984 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O ZINC000081814120 293512512 /nfs/dbraw/zinc/51/25/12/293512512.db2.gz HVTQOGDGOBLDPQ-ZDUSSCGKSA-N 0 0 338.371 1.168 10 0 EDAERN Cn1c(=O)/c(=C/c2cc(F)ccc2F)s/c1=C/C(=O)C(C)(C)C ZINC000096307316 294134883 /nfs/dbraw/zinc/13/48/83/294134883.db2.gz ZKLMZUQNXQMZMK-LHHRFCNSSA-N 0 0 337.391 1.950 10 0 EDAERN O=C(NC1C2CC3CC(C2)CC1C3)N1CC[C@H](N2CCOCC2)C1 ZINC000173787399 295601497 /nfs/dbraw/zinc/60/14/97/295601497.db2.gz GQXFRHNPHPHOOG-NFSPANSCSA-N 0 0 333.476 1.927 10 0 EDAERN C[C@H]1CN(C(=O)C2(CC(=O)N3CCOCC3)CCCC2)CCC1=O ZINC000330022034 300110503 /nfs/dbraw/zinc/11/05/03/300110503.db2.gz YXARPKOAICDLGN-AWEZNQCLSA-N 0 0 336.432 1.233 10 0 EDAERN Cc1ccnc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000115205141 302278380 /nfs/dbraw/zinc/27/83/80/302278380.db2.gz VHHZNVKTYXRSHY-BBRMVZONSA-N 0 0 327.388 1.672 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C)cc2F)n1 ZINC000183747627 302852742 /nfs/dbraw/zinc/85/27/42/302852742.db2.gz ZIZBXMLMAHTYAL-LBPRGKRZSA-N 0 0 341.364 1.588 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1nncn1C ZINC000044913329 440909263 /nfs/dbraw/zinc/90/92/63/440909263.db2.gz QGSCBGGRHMCPLO-DOMZBBRYSA-N 0 0 329.404 1.276 10 0 EDAERN O=C(c1ccccc1)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1 ZINC000004818163 440927635 /nfs/dbraw/zinc/92/76/35/440927635.db2.gz SVKVOCNAFXSTMX-UHFFFAOYSA-N 0 0 338.411 1.611 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccncc2)[C@H](C(=O)[O-])C1 ZINC000008699748 441098325 /nfs/dbraw/zinc/09/83/25/441098325.db2.gz MZBNFRLECGJRGZ-KGLIPLIRSA-N 0 0 335.404 1.881 10 0 EDAERN CC1CC[NH+](CCNC(=O)c2c([O-])c3sccc3[nH]c2=O)CC1 ZINC000102685254 441169866 /nfs/dbraw/zinc/16/98/66/441169866.db2.gz ZMHPPONWKOPCDD-UHFFFAOYSA-N 0 0 335.429 1.757 10 0 EDAERN CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2c1nc[nH]c2=O ZINC000098181366 441150477 /nfs/dbraw/zinc/15/04/77/441150477.db2.gz QPHODOZRIVWRNV-UHFFFAOYSA-N 0 0 327.340 1.958 10 0 EDAERN COCCS(=O)(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000101570816 441158235 /nfs/dbraw/zinc/15/82/35/441158235.db2.gz JIYYZLIRGHREPK-NSHDSACASA-N 0 0 341.408 1.947 10 0 EDAERN CC(C)CCNC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000071911613 441193806 /nfs/dbraw/zinc/19/38/06/441193806.db2.gz MEXMHADYMANUTR-CQSZACIVSA-N 0 0 335.404 1.319 10 0 EDAERN COc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000016263334 441217937 /nfs/dbraw/zinc/21/79/37/441217937.db2.gz HDLYAEMCOKWYEG-NSHDSACASA-N 0 0 334.397 1.985 10 0 EDAERN Cc1ccc(C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000059472120 441228783 /nfs/dbraw/zinc/22/87/83/441228783.db2.gz BMDTYZHPRPKPDF-UHFFFAOYSA-N 0 0 343.408 1.464 10 0 EDAERN CCOCCN1CCN(CC(=O)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000105835035 441286739 /nfs/dbraw/zinc/28/67/39/441286739.db2.gz GTNHQFYGQQIJSA-HNNXBMFYSA-N 0 0 348.447 1.377 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000105861822 441293129 /nfs/dbraw/zinc/29/31/29/441293129.db2.gz BRUNYTLTDIGXAW-UHFFFAOYSA-N 0 0 328.420 1.920 10 0 EDAERN COCCCOc1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)cn1 ZINC000081589509 441293555 /nfs/dbraw/zinc/29/35/55/441293555.db2.gz VWGWAEYDRBGQIS-AWEZNQCLSA-N 0 0 345.403 1.662 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1ccccc1 ZINC000048344745 441296693 /nfs/dbraw/zinc/29/66/93/441296693.db2.gz YFPYHZKBQSIJFC-IUODEOHRSA-N 0 0 344.367 1.819 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869418 441299965 /nfs/dbraw/zinc/29/99/65/441299965.db2.gz WUWWICABEWISAB-GOSISDBHSA-N 0 0 347.507 1.719 10 0 EDAERN Cc1cnn(C[C@H]2CN([C@@H](C)C(=O)N(C(C)C)C(C)C)CCO2)c1 ZINC000105892095 441310318 /nfs/dbraw/zinc/31/03/18/441310318.db2.gz XNORBWXICZBUBM-DLBZAZTESA-N 0 0 336.480 1.926 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cn2c(cccc2C)n1 ZINC000083721941 441370862 /nfs/dbraw/zinc/37/08/62/441370862.db2.gz HORRQURPNBIWJK-CQSZACIVSA-N 0 0 339.403 1.877 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCCn1ccnc1C ZINC000083734718 441371769 /nfs/dbraw/zinc/37/17/69/441371769.db2.gz YXALWKFNAFHXKJ-AWEZNQCLSA-N 0 0 331.424 1.706 10 0 EDAERN COCCN(Cc1ccco1)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083750060 441374202 /nfs/dbraw/zinc/37/42/02/441374202.db2.gz SLFNOTGJWQIEGT-CQSZACIVSA-N 0 0 333.392 1.873 10 0 EDAERN O=C(Nc1cnc(N2CCOCC2)nc1)c1ccc2c(c1)OCO2 ZINC000065225034 441408355 /nfs/dbraw/zinc/40/83/55/441408355.db2.gz WEKRDWXEBKBQCO-UHFFFAOYSA-N 0 0 328.328 1.294 10 0 EDAERN COC(=O)c1ccc(NC(=O)[C@]2(C)Oc3cccnc3NC2=O)cc1 ZINC000065241684 441409017 /nfs/dbraw/zinc/40/90/17/441409017.db2.gz QZFAGZKTHOHYNL-KRWDZBQOSA-N 0 0 341.323 1.597 10 0 EDAERN C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000027323781 441399459 /nfs/dbraw/zinc/39/94/59/441399459.db2.gz MHCBWCNAXOXMKX-NSHDSACASA-N 0 0 336.388 1.893 10 0 EDAERN CSc1ncc(Cl)c(C(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000029960986 441481142 /nfs/dbraw/zinc/48/11/42/441481142.db2.gz FCZZDKRKVHQLCB-SECBINFHSA-N 0 0 330.841 1.302 10 0 EDAERN Cc1sc2[nH]c([C@H](C)NC[C@H]3CN(C)CCO3)nc(=O)c2c1C ZINC000112548510 441550816 /nfs/dbraw/zinc/55/08/16/441550816.db2.gz DFRVFZFJVPJACV-JQWIXIFHSA-N 0 0 336.461 1.583 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cc(C)ccc3C)CCO2)c1 ZINC000112094158 441544419 /nfs/dbraw/zinc/54/44/19/441544419.db2.gz CAYXISIBPPREDZ-MRXNPFEDSA-N 0 0 349.456 1.898 10 0 EDAERN Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3CCc4ncnn4C3)c12 ZINC000112655558 441552699 /nfs/dbraw/zinc/55/26/99/441552699.db2.gz BCOWZQKVBNSPOI-NSHDSACASA-N 0 0 340.387 1.991 10 0 EDAERN COc1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1OC(F)F ZINC000112651378 441552738 /nfs/dbraw/zinc/55/27/38/441552738.db2.gz YFKFWDIAVMMPML-VIFPVBQESA-N 0 0 338.314 1.633 10 0 EDAERN CCC(CC)CS(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000113292611 441599143 /nfs/dbraw/zinc/59/91/43/441599143.db2.gz WJBIIGCFPPFTBC-OAHLLOKOSA-N 0 0 329.466 1.658 10 0 EDAERN Nc1ccn([C@H]2CS[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000034280152 441599333 /nfs/dbraw/zinc/59/93/33/441599333.db2.gz SWOOIHFMFZUHOC-OLZOCXBDSA-N 0 0 333.369 1.271 10 0 EDAERN Nc1ccn([C@@H]2CS[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000034280150 441599676 /nfs/dbraw/zinc/59/96/76/441599676.db2.gz SWOOIHFMFZUHOC-STQMWFEESA-N 0 0 333.369 1.271 10 0 EDAERN Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000115207154 441717574 /nfs/dbraw/zinc/71/75/74/441717574.db2.gz CRHNPGKPHONAHT-AEFFLSMTSA-N 0 0 340.427 1.954 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2c(C)cc(N(C)C)cc2C)c1 ZINC000121493639 441717562 /nfs/dbraw/zinc/71/75/62/441717562.db2.gz HCBJUWYYYMKWPO-UHFFFAOYSA-N 0 0 343.431 1.629 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000121464102 441710672 /nfs/dbraw/zinc/71/06/72/441710672.db2.gz SNNYVEJKMBHOOR-UHFFFAOYSA-N 0 0 347.488 1.515 10 0 EDAERN CO[C@@H](C)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000115155496 441715094 /nfs/dbraw/zinc/71/50/94/441715094.db2.gz LUKNHRHCNVACCI-HNNXBMFYSA-N 0 0 328.416 1.551 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCN1C(=O)CCC1=O ZINC000114599815 441669906 /nfs/dbraw/zinc/66/99/06/441669906.db2.gz SFYMAIPCSZMPQH-ZDUSSCGKSA-N 0 0 347.419 1.032 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000041786608 441673344 /nfs/dbraw/zinc/67/33/44/441673344.db2.gz RBWHTXPYEBMJRE-GFCCVEGCSA-N 0 0 343.383 1.416 10 0 EDAERN CCOC(=O)c1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)o1 ZINC000121595945 441739303 /nfs/dbraw/zinc/73/93/03/441739303.db2.gz RTLPSIAFFDFZLU-UHFFFAOYSA-N 0 0 346.431 1.898 10 0 EDAERN Cc1ccc(-c2cnc(CCC(=O)N3CCOC[C@H]3C(N)=O)o2)cc1 ZINC000091780267 441740606 /nfs/dbraw/zinc/74/06/06/441740606.db2.gz FZOUCRGRTFJWHC-AWEZNQCLSA-N 0 0 343.383 1.295 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCOC3CCCC3)CCO2)[nH]1 ZINC000137144555 441750504 /nfs/dbraw/zinc/75/05/04/441750504.db2.gz PPZPQBDLXZNLMC-ZDUSSCGKSA-N 0 0 337.424 1.409 10 0 EDAERN C[C@@H](NC(=O)N1CCN(C)C(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173457292 441756555 /nfs/dbraw/zinc/75/65/55/441756555.db2.gz PMCBYZANRYWBEA-CYBMUJFWSA-N 0 0 327.388 1.417 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)NCCS(C)(=O)=O)C2)n1 ZINC000173466392 441760326 /nfs/dbraw/zinc/76/03/26/441760326.db2.gz ATEACLHVPHTZFS-LLVKDONJSA-N 0 0 331.463 1.385 10 0 EDAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)o1 ZINC000042626875 441761080 /nfs/dbraw/zinc/76/10/80/441761080.db2.gz BMMSOOOFJAQVRP-JTQLQIEISA-N 0 0 348.380 1.853 10 0 EDAERN CN1CCO[C@H](CNC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000121509362 441721553 /nfs/dbraw/zinc/72/15/53/441721553.db2.gz JDKJFZKSADQGEL-KGLIPLIRSA-N 0 0 345.365 1.790 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCc3c(C)noc3C)CCO2)[nH]1 ZINC000139463438 441816316 /nfs/dbraw/zinc/81/63/16/441816316.db2.gz SKGDPPWELNRGQA-ZDUSSCGKSA-N 0 0 348.407 1.298 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3cc(F)cc4c3OCOC4)CCO2)[nH]1 ZINC000173659875 441817479 /nfs/dbraw/zinc/81/74/79/441817479.db2.gz CELWYUSZVOPRRE-CQSZACIVSA-N 0 0 334.351 1.692 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)N3CCc4ccccc4C3)CCO2)[nH]1 ZINC000173666395 441819008 /nfs/dbraw/zinc/81/90/08/441819008.db2.gz GEXFPFBZKOPEDN-MRXNPFEDSA-N 0 0 341.415 1.071 10 0 EDAERN C[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000173502326 441770666 /nfs/dbraw/zinc/77/06/66/441770666.db2.gz KRZNLMBECWSCCB-NSHDSACASA-N 0 0 349.412 1.672 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000115778819 441775537 /nfs/dbraw/zinc/77/55/37/441775537.db2.gz CORUWOPMWDIMQO-HNNXBMFYSA-N 0 0 335.452 1.043 10 0 EDAERN O=C(NCC1C2CC3CC(C2)CC1C3)N[C@H]1CCc2ncnn2C1 ZINC000121784248 441779723 /nfs/dbraw/zinc/77/97/23/441779723.db2.gz KFTHUIIVYANOHW-CGAUPDFVSA-N 0 0 329.448 1.964 10 0 EDAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccco2)C1=O ZINC000116049166 441792464 /nfs/dbraw/zinc/79/24/64/441792464.db2.gz NWAFSYRBWYNBFV-PXAZEXFGSA-N 0 0 331.372 1.664 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CCNC(=O)Cc3ccccc3)C2)cn1 ZINC000116112506 441793612 /nfs/dbraw/zinc/79/36/12/441793612.db2.gz GMGBWUIZBDSRBO-MRXNPFEDSA-N 0 0 340.427 1.485 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)C2)cn1 ZINC000116118640 441795215 /nfs/dbraw/zinc/79/52/15/441795215.db2.gz QECHUMMWMRAJBZ-CYBMUJFWSA-N 0 0 326.404 1.440 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cccc(COC)c3)CCO2)[nH]1 ZINC000173574037 441795558 /nfs/dbraw/zinc/79/55/58/441795558.db2.gz PFCZBTOJWPKLTR-CQSZACIVSA-N 0 0 330.388 1.727 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)COc3cccc(C)c3)CCO2)[nH]1 ZINC000173578590 441796257 /nfs/dbraw/zinc/79/62/57/441796257.db2.gz GEZALTLSVMHOTM-CQSZACIVSA-N 0 0 330.388 1.654 10 0 EDAERN CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000093170023 441862346 /nfs/dbraw/zinc/86/23/46/441862346.db2.gz ORLBGDVSZWBKKB-MRXNPFEDSA-N 0 0 343.431 1.725 10 0 EDAERN Cc1nc(C[C@H]2CCC[N@H+](CC(=O)[N-]OCc3ccccc3)C2)no1 ZINC000093171820 441862363 /nfs/dbraw/zinc/86/23/63/441862363.db2.gz YCVWBVYWKAOLEM-MRXNPFEDSA-N 0 0 344.415 1.881 10 0 EDAERN CC[C@@H]1CN(C(=O)COc2ccccc2OC)CCN1CCOC ZINC000117308575 441868701 /nfs/dbraw/zinc/86/87/01/441868701.db2.gz WMPLKDPWDWOHPJ-OAHLLOKOSA-N 0 0 336.432 1.643 10 0 EDAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116466551 441825003 /nfs/dbraw/zinc/82/50/03/441825003.db2.gz DSKDPYRRVHPXSL-MRXNPFEDSA-N 0 0 340.427 1.783 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173695354 441825427 /nfs/dbraw/zinc/82/54/27/441825427.db2.gz YOZJTYZCIZKZMM-HNNXBMFYSA-N 0 0 327.388 1.643 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116586595 441831761 /nfs/dbraw/zinc/83/17/61/441831761.db2.gz PPQXHRGWRIRBFX-GFCCVEGCSA-N 0 0 328.372 1.383 10 0 EDAERN COCc1cccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000173733352 441832091 /nfs/dbraw/zinc/83/20/91/441832091.db2.gz XGMMMJRUMUPWQO-OAHLLOKOSA-N 0 0 335.429 1.883 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)NS(C)(=O)=O)o1 ZINC000173750373 441833866 /nfs/dbraw/zinc/83/38/66/441833866.db2.gz JHGGECHBXUZKOG-AAEUAGOBSA-N 0 0 328.434 1.833 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)N(C)Cc3cccs3)CCO2)[nH]1 ZINC000173760063 441834429 /nfs/dbraw/zinc/83/44/29/441834429.db2.gz ZGGRNJDVLNMXSV-CYBMUJFWSA-N 0 0 335.433 1.207 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000123033408 441873952 /nfs/dbraw/zinc/87/39/52/441873952.db2.gz VPIIGSZJOMHKOF-DOMZBBRYSA-N 0 0 334.445 1.873 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000173855702 441851866 /nfs/dbraw/zinc/85/18/66/441851866.db2.gz RAHNWLUDHORREO-ZDUSSCGKSA-N 0 0 327.388 1.190 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000043704038 441854394 /nfs/dbraw/zinc/85/43/94/441854394.db2.gz MLHKBCQTOJVCLA-CYBMUJFWSA-N 0 0 346.431 1.523 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)c2ncccn2)C1 ZINC000095084233 441910135 /nfs/dbraw/zinc/91/01/35/441910135.db2.gz UWDZEWKPOCNYOY-LLVKDONJSA-N 0 0 327.406 1.507 10 0 EDAERN COCCN1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)C[C@H]1C ZINC000118995264 441912157 /nfs/dbraw/zinc/91/21/57/441912157.db2.gz DNERIRMGZRGGDE-OAHLLOKOSA-N 0 0 343.431 1.124 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC2CCC(O)CC2)ncn1 ZINC000174000430 441875971 /nfs/dbraw/zinc/87/59/71/441875971.db2.gz RTAKQYHGSPAGBI-ROKHWSDSSA-N 0 0 348.451 1.090 10 0 EDAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000174005673 441876935 /nfs/dbraw/zinc/87/69/35/441876935.db2.gz MMLNCSLRKQORRV-WFASDCNBSA-N 0 0 339.461 1.053 10 0 EDAERN Cc1cnn(CCNC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1 ZINC000117813518 441879811 /nfs/dbraw/zinc/87/98/11/441879811.db2.gz KOLLMYOQSDPQBO-UHFFFAOYSA-N 0 0 327.392 1.362 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 ZINC000118011251 441883070 /nfs/dbraw/zinc/88/30/70/441883070.db2.gz FYJOVXPJPKKSAF-UHFFFAOYSA-N 0 0 326.364 1.297 10 0 EDAERN COC(=O)CCCCCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174048491 441883159 /nfs/dbraw/zinc/88/31/59/441883159.db2.gz JIZGIIOYRBBWOI-AWEZNQCLSA-N 0 0 337.424 1.748 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cccn(C)c2=O)cc1 ZINC000123485217 441888189 /nfs/dbraw/zinc/88/81/89/441888189.db2.gz GVFKMUALHGOUED-LBPRGKRZSA-N 0 0 327.384 1.764 10 0 EDAERN O=C1N[C@@H](c2cc(Br)ccc2Cl)N2CCOC[C@H]12 ZINC000093883094 441898602 /nfs/dbraw/zinc/89/86/02/441898602.db2.gz AZASVZNNWNGNBF-GHMZBOCLSA-N 0 0 331.597 1.932 10 0 EDAERN C[C@H](CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1)CN1CCOCC1 ZINC000150712775 441933997 /nfs/dbraw/zinc/93/39/97/441933997.db2.gz UVAZGOKXXOLOAC-HUUCEWRRSA-N 0 0 348.447 1.281 10 0 EDAERN C[C@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)CN1CCOCC1 ZINC000150712780 441934038 /nfs/dbraw/zinc/93/40/38/441934038.db2.gz UVAZGOKXXOLOAC-CABCVRRESA-N 0 0 348.447 1.281 10 0 EDAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124608784 441938850 /nfs/dbraw/zinc/93/88/50/441938850.db2.gz IGTYHKKMFXFBQG-INIZCTEOSA-N 0 0 332.448 1.917 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000174679612 441953119 /nfs/dbraw/zinc/95/31/19/441953119.db2.gz YPRVPMQYJVCABV-CQSZACIVSA-N 0 0 328.376 1.507 10 0 EDAERN Cn1nc(Br)c2c1ncnc2NC[C@@H](O)C(C)(C)C ZINC000078670181 441959688 /nfs/dbraw/zinc/95/96/88/441959688.db2.gz PBVZRVXMNPPWFP-SSDOTTSWSA-N 0 0 328.214 1.945 10 0 EDAERN CC(C)n1ccnc1CSc1nnc(-c2n[nH]c3c2CCC3)n1N ZINC000125168078 441991682 /nfs/dbraw/zinc/99/16/82/441991682.db2.gz MTCWHMFXGKKRRZ-UHFFFAOYSA-N 0 0 344.448 1.940 10 0 EDAERN COc1ccccc1N1CC[C@@H](N2CCC[C@H](n3cncn3)C2)C1=O ZINC000151031542 441993282 /nfs/dbraw/zinc/99/32/82/441993282.db2.gz IYRLSLIBRFDRLE-GOEBONIOSA-N 0 0 341.415 1.729 10 0 EDAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000150970888 441983468 /nfs/dbraw/zinc/98/34/68/441983468.db2.gz WZLNFUFJBZFPDS-AAEUAGOBSA-N 0 0 347.383 1.964 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000175106570 442004772 /nfs/dbraw/zinc/00/47/72/442004772.db2.gz QJYWWYZWTNCWBH-AWEZNQCLSA-N 0 0 332.404 1.648 10 0 EDAERN CCc1nc(C2(NC(=O)Cc3nc4ncccn4n3)CCCC2)no1 ZINC000175129975 442008743 /nfs/dbraw/zinc/00/87/43/442008743.db2.gz VDXOFIXQEXMTJW-UHFFFAOYSA-N 0 0 341.375 1.198 10 0 EDAERN COCCN1CCN(C(=O)NCCCCn2ccnc2C)C[C@H]1C ZINC000175464461 442067531 /nfs/dbraw/zinc/06/75/31/442067531.db2.gz LTFAXXRJQPOPNW-OAHLLOKOSA-N 0 0 337.468 1.334 10 0 EDAERN CCC(CC)(CO)CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000151624879 442095524 /nfs/dbraw/zinc/09/55/24/442095524.db2.gz BYHAMHVEDRHVQF-GFCCVEGCSA-N 0 0 339.440 1.357 10 0 EDAERN COc1ccc(CCCC(=O)NC[C@@H]2CN(C)CCO2)c(OC)c1 ZINC000151519811 442078055 /nfs/dbraw/zinc/07/80/55/442078055.db2.gz WFNPAGFSCHCCFD-MRXNPFEDSA-N 0 0 336.432 1.473 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](COC)c1ccco1)CC2 ZINC000175518322 442078777 /nfs/dbraw/zinc/07/87/77/442078777.db2.gz VUUNMKRTGSKWPL-VXGBXAGGSA-N 0 0 333.392 1.435 10 0 EDAERN CCN(CC(=O)Nc1c(C)cccc1C)C[C@H](O)CN1CCCC1=O ZINC000126470354 442115352 /nfs/dbraw/zinc/11/53/52/442115352.db2.gz WTVBQHLZTVMIDR-INIZCTEOSA-N 0 0 347.459 1.547 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1ccsc1)CC2 ZINC000120674511 442115908 /nfs/dbraw/zinc/11/59/08/442115908.db2.gz WEVRUUAYZXEWMY-STQMWFEESA-N 0 0 349.460 1.811 10 0 EDAERN CC(C)[C@H](C)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000162697673 442115967 /nfs/dbraw/zinc/11/59/67/442115967.db2.gz OUJMZSSJPWEIKW-LBPRGKRZSA-N 0 0 338.433 1.717 10 0 EDAERN C[C@H](CCS(C)(=O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000126489898 442117335 /nfs/dbraw/zinc/11/73/35/442117335.db2.gz CAQDPQOSSLRXBD-HIFRSBDPSA-N 0 0 326.462 1.099 10 0 EDAERN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000120814735 442137691 /nfs/dbraw/zinc/13/76/91/442137691.db2.gz KGNXMTUUCYYQRJ-GHMZBOCLSA-N 0 0 348.382 1.158 10 0 EDAERN CC(C)Cc1ccc([C@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000121031711 442168644 /nfs/dbraw/zinc/16/86/44/442168644.db2.gz QVIJDTLDHVOQNW-QFBILLFUSA-N 0 0 348.487 1.798 10 0 EDAERN CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121097446 442176480 /nfs/dbraw/zinc/17/64/80/442176480.db2.gz ZDHBUMFXAQSFAY-CYBMUJFWSA-N 0 0 340.445 1.975 10 0 EDAERN C[C@@H](C(=O)N1CCCCC1)N1CCN(Cc2nnc(C3CC3)[nH]2)CC1 ZINC000097373537 442192231 /nfs/dbraw/zinc/19/22/31/442192231.db2.gz BWFHYDGJGNSKEW-AWEZNQCLSA-N 0 0 346.479 1.201 10 0 EDAERN CC(=O)Nc1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000121338970 442205263 /nfs/dbraw/zinc/20/52/63/442205263.db2.gz QKRPFAIAEQCNOR-NHYWBVRUSA-N 0 0 344.408 1.614 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000121255913 442196907 /nfs/dbraw/zinc/19/69/07/442196907.db2.gz AJYMJVCPPIBWGO-OAHLLOKOSA-N 0 0 331.416 1.677 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000121276074 442198670 /nfs/dbraw/zinc/19/86/70/442198670.db2.gz XAUWYAIVEDGYGA-SNVBAGLBSA-N 0 0 341.770 1.545 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)CC[C@@H]3CCOC3)CC2)cn1 ZINC000176011472 442161510 /nfs/dbraw/zinc/16/15/10/442161510.db2.gz MRRPTIFCXWIIFG-MRXNPFEDSA-N 0 0 334.464 1.754 10 0 EDAERN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CCC[C@H]3CO)c2)n1 ZINC000120993753 442162071 /nfs/dbraw/zinc/16/20/71/442162071.db2.gz OVJISWSTQXXTBY-INIZCTEOSA-N 0 0 342.399 1.411 10 0 EDAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCCn1cc(C)cn1)CC2 ZINC000163412511 442163678 /nfs/dbraw/zinc/16/36/78/442163678.db2.gz LLERWPKAQCOFPT-LSDHHAIUSA-N 0 0 336.436 1.153 10 0 EDAERN CC(C)NC(=O)CCNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152102577 442164961 /nfs/dbraw/zinc/16/49/61/442164961.db2.gz FOSLVJNOAMMPHV-AWEZNQCLSA-N 0 0 348.451 1.002 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCCCN1CCOCC1 ZINC000176341203 442212654 /nfs/dbraw/zinc/21/26/54/442212654.db2.gz XREGFHCMSYUVDX-CQSZACIVSA-N 0 0 335.452 1.294 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000176373802 442215256 /nfs/dbraw/zinc/21/52/56/442215256.db2.gz WJIQJMOQOOYUKO-DZGCQCFKSA-N 0 0 336.436 1.953 10 0 EDAERN CCNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)C(C)C)cc1 ZINC000152580095 442227867 /nfs/dbraw/zinc/22/78/67/442227867.db2.gz PDIDYRJJTNYSNM-GFCCVEGCSA-N 0 0 327.450 1.829 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C)C1 ZINC000170490290 442232071 /nfs/dbraw/zinc/23/20/71/442232071.db2.gz YSSMADRFFYZMLE-CYBMUJFWSA-N 0 0 328.372 1.601 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2ccnn2C)N2CCOCC2)s1 ZINC000176548834 442233089 /nfs/dbraw/zinc/23/30/89/442233089.db2.gz HOWQROGBKJXNHR-AWEZNQCLSA-N 0 0 334.445 1.593 10 0 EDAERN COCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000170668149 442246043 /nfs/dbraw/zinc/24/60/43/442246043.db2.gz YMTVIKJTKGIMHK-RISCZKNCSA-N 0 0 342.417 1.117 10 0 EDAERN Cc1nccn1-c1cncc(N2CCCN(C(=O)C3CC3)CC2)n1 ZINC000152850728 442247215 /nfs/dbraw/zinc/24/72/15/442247215.db2.gz APEPEDNWJGIVAK-UHFFFAOYSA-N 0 0 326.404 1.419 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)C1 ZINC000170683639 442248107 /nfs/dbraw/zinc/24/81/07/442248107.db2.gz ZHQAPQHKTIMDJX-IAGOWNOFSA-N 0 0 349.500 1.223 10 0 EDAERN CC(C)c1nnc(CN2CCCC[C@H]2C(=O)N2CCOCC2)n1C ZINC000170778120 442262240 /nfs/dbraw/zinc/26/22/40/442262240.db2.gz INHMQHJUMYPRKU-AWEZNQCLSA-N 0 0 335.452 1.152 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1ccccc1 ZINC000153182606 442266025 /nfs/dbraw/zinc/26/60/25/442266025.db2.gz CHLJDKHTVMSOSF-KBPBESRZSA-N 0 0 345.403 1.292 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1COc2ccccc2C1)c1nnc2n1CCCC2 ZINC000153186075 442266281 /nfs/dbraw/zinc/26/62/81/442266281.db2.gz ZUBLNXVZFKKLBS-JSGCOSHPSA-N 0 0 341.415 1.978 10 0 EDAERN COc1cccc(CC(=O)N2CCN(C(=O)N[C@H]3C[C@H]3C)CC2)c1 ZINC000170808068 442267216 /nfs/dbraw/zinc/26/72/16/442267216.db2.gz AEPYBHWXFVRGCW-CJNGLKHVSA-N 0 0 331.416 1.500 10 0 EDAERN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000176928261 442274994 /nfs/dbraw/zinc/27/49/94/442274994.db2.gz JPXRSJODCDFSSL-QWHCGFSZSA-N 0 0 335.429 1.730 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000176984139 442280393 /nfs/dbraw/zinc/28/03/93/442280393.db2.gz ZDBKMYXPYLZZQG-ZDUSSCGKSA-N 0 0 335.452 1.450 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncco2)cc1)[C@@H]1CCCO1 ZINC000153423788 442282029 /nfs/dbraw/zinc/28/20/29/442282029.db2.gz BMZTVBSDWOYXKP-RISCZKNCSA-N 0 0 329.356 1.964 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(C)cc(F)c1)CC2 ZINC000153454062 442283413 /nfs/dbraw/zinc/28/34/13/442283413.db2.gz YYUNZUCOMQFFLN-GFCCVEGCSA-N 0 0 345.378 1.358 10 0 EDAERN CC(C)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1nc(-c2cccnc2)no1 ZINC000171064512 442305591 /nfs/dbraw/zinc/30/55/91/442305591.db2.gz JZSDJYGTYMDLSJ-YPMHNXCESA-N 0 0 329.360 1.081 10 0 EDAERN Cc1oc(-c2ccsc2)nc1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000171030224 442300809 /nfs/dbraw/zinc/30/08/09/442300809.db2.gz UBKAUYCGKGZZFF-CYBMUJFWSA-N 0 0 335.429 1.701 10 0 EDAERN CC(C)C(=O)NCCN(C)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000128329333 442259890 /nfs/dbraw/zinc/25/98/90/442259890.db2.gz OUGANKGTPDBGKF-CYBMUJFWSA-N 0 0 334.420 1.427 10 0 EDAERN CCc1ccc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177274678 442323741 /nfs/dbraw/zinc/32/37/41/442323741.db2.gz OCINPPJBVZZMPK-CRAIPNDOSA-N 0 0 331.460 1.840 10 0 EDAERN Cc1nc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c(=O)[nH]c1C ZINC000154409540 442337445 /nfs/dbraw/zinc/33/74/45/442337445.db2.gz AOEXBGFNXVQMAB-OLZOCXBDSA-N 0 0 331.372 1.708 10 0 EDAERN CCC1CCC(NC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000130025469 442337511 /nfs/dbraw/zinc/33/75/11/442337511.db2.gz NYSMWGLSZWVBBZ-UHFFFAOYSA-N 0 0 328.438 1.006 10 0 EDAERN CC(C)NC(=O)Nc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000171289458 442338989 /nfs/dbraw/zinc/33/89/89/442338989.db2.gz GYPITVSYBSYYRF-HNNXBMFYSA-N 0 0 334.420 1.277 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCc3ccccn3)C2)no1 ZINC000171530001 442354442 /nfs/dbraw/zinc/35/44/42/442354442.db2.gz RTOQAYXJTHKRDX-AWEZNQCLSA-N 0 0 329.404 1.980 10 0 EDAERN Cc1ccn2c(c1)ncc(C(=O)N1CCC[C@H]1c1cnn(C)c1)c2=O ZINC000171349741 442342501 /nfs/dbraw/zinc/34/25/01/442342501.db2.gz JZJGEIXFWCGSEG-HNNXBMFYSA-N 0 0 337.383 1.714 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)cn1 ZINC000171349536 442342816 /nfs/dbraw/zinc/34/28/16/442342816.db2.gz OTIWVNADQKJLOF-AWEZNQCLSA-N 0 0 325.372 1.427 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCCc3cnn(C)c3)C2)no1 ZINC000171368407 442343856 /nfs/dbraw/zinc/34/38/56/442343856.db2.gz LKIFIXKFRFJKLJ-CQSZACIVSA-N 0 0 346.435 1.708 10 0 EDAERN CCOc1ccnc(N2CCN(C[C@H](O)COCC(C)C)CC2)n1 ZINC000171624782 442363974 /nfs/dbraw/zinc/36/39/74/442363974.db2.gz QGRYHPYMTGBUNV-HNNXBMFYSA-N 0 0 338.452 1.031 10 0 EDAERN COCCOc1ccc(CNC(=O)CN2CCS[C@@H](C)C2)cc1 ZINC000171689675 442370981 /nfs/dbraw/zinc/37/09/81/442370981.db2.gz KARFHCDNVITCSU-AWEZNQCLSA-N 0 0 338.473 1.765 10 0 EDAERN CC(C)NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171745136 442376181 /nfs/dbraw/zinc/37/61/81/442376181.db2.gz IOUGGJXDOBYSJN-NEPJUHHUSA-N 0 0 346.399 1.512 10 0 EDAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)C1CC1 ZINC000171766234 442379388 /nfs/dbraw/zinc/37/93/88/442379388.db2.gz NCWJVFFBOKIXPA-UHFFFAOYSA-N 0 0 339.351 1.815 10 0 EDAERN Cc1nc(COc2ccc(NC(=O)C(=O)N[C@@H](C)C3CC3)cc2)no1 ZINC000171772829 442380061 /nfs/dbraw/zinc/38/00/61/442380061.db2.gz VPOMEMORCXRWEO-JTQLQIEISA-N 0 0 344.371 1.810 10 0 EDAERN COc1ncnc(OC)c1C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000171810513 442383228 /nfs/dbraw/zinc/38/32/28/442383228.db2.gz FEMQNHOUJVTLIU-GFCCVEGCSA-N 0 0 331.376 1.476 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CSc1ccncc1 ZINC000155239516 442383517 /nfs/dbraw/zinc/38/35/17/442383517.db2.gz NIJBXUZTQUJIHH-LBPRGKRZSA-N 0 0 333.417 1.563 10 0 EDAERN COc1ccc([C@H](C)NC(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000171868481 442386062 /nfs/dbraw/zinc/38/60/62/442386062.db2.gz ALYIZXOAHSITDS-WCQYABFASA-N 0 0 345.403 1.671 10 0 EDAERN COc1ccc([C@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000171868485 442386376 /nfs/dbraw/zinc/38/63/76/442386376.db2.gz ALYIZXOAHSITDS-AAEUAGOBSA-N 0 0 345.403 1.671 10 0 EDAERN O=C(Nc1ccc(N2CCOC2=O)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171891208 442387590 /nfs/dbraw/zinc/38/75/90/442387590.db2.gz JEEOMERXHVIFCX-OAHLLOKOSA-N 0 0 330.388 1.955 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NC[C@H]1CCCS1(=O)=O ZINC000177837019 442389519 /nfs/dbraw/zinc/38/95/19/442389519.db2.gz TYQCRYGUOKDBHE-DZGCQCFKSA-N 0 0 340.445 1.468 10 0 EDAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)C1 ZINC000132766130 442399808 /nfs/dbraw/zinc/39/98/08/442399808.db2.gz NGMOHDKXIAISCO-FMKPAKJESA-N 0 0 339.461 1.757 10 0 EDAERN CC(C)COC(=O)N1CCC(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000177568204 442358245 /nfs/dbraw/zinc/35/82/45/442358245.db2.gz IIHVYKKDXMBXEX-CQSZACIVSA-N 0 0 349.435 1.734 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)CSC)CC1 ZINC000171574762 442358502 /nfs/dbraw/zinc/35/85/02/442358502.db2.gz XXLYTXRPUOMWGE-UHFFFAOYSA-N 0 0 330.885 1.643 10 0 EDAERN CC(C)[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1nc2ccccc2[nH]1 ZINC000171580765 442358504 /nfs/dbraw/zinc/35/85/04/442358504.db2.gz FTBRPCTYPOLUNJ-CJNGLKHVSA-N 0 0 345.447 1.890 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000177598671 442361279 /nfs/dbraw/zinc/36/12/79/442361279.db2.gz VIYHBCGDICWXBT-ZFWWWQNUSA-N 0 0 345.447 1.647 10 0 EDAERN CCS(=O)(=O)N(C)CCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000172116303 442410466 /nfs/dbraw/zinc/41/04/66/442410466.db2.gz UUEGGDXOCBAJNT-ZDUSSCGKSA-N 0 0 343.449 1.798 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCCc3cccs3)CC2)cn1 ZINC000172121086 442410807 /nfs/dbraw/zinc/41/08/07/442410807.db2.gz URHFMGBRLDSQCA-UHFFFAOYSA-N 0 0 347.488 1.942 10 0 EDAERN COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178319673 442424318 /nfs/dbraw/zinc/42/43/18/442424318.db2.gz FTMQXAQESNDTSC-KRWDZBQOSA-N 0 0 342.443 1.981 10 0 EDAERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)cn1 ZINC000178407112 442430565 /nfs/dbraw/zinc/43/05/65/442430565.db2.gz REDDRTBUGNSJAR-OAHLLOKOSA-N 0 0 335.452 1.498 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccc(=O)n(CC)c2)C[C@H]1C ZINC000172272383 442433616 /nfs/dbraw/zinc/43/36/16/442433616.db2.gz MDMJDSHHAKQAIF-CQSZACIVSA-N 0 0 336.436 1.443 10 0 EDAERN C[C@H](CNC(=O)CCN1C(=O)CCc2ccccc21)N1CCOCC1 ZINC000155918380 442436764 /nfs/dbraw/zinc/43/67/64/442436764.db2.gz PTMZXZLLOFCGJG-OAHLLOKOSA-N 0 0 345.443 1.193 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000178502501 442438922 /nfs/dbraw/zinc/43/89/22/442438922.db2.gz MTHCDFOFLDKZOO-INIZCTEOSA-N 0 0 341.496 1.822 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3scnc3c2)c1 ZINC000172312379 442442479 /nfs/dbraw/zinc/44/24/79/442442479.db2.gz ADDKGXMNQBFNHP-UHFFFAOYSA-N 0 0 329.385 1.556 10 0 EDAERN C[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000134079606 442449752 /nfs/dbraw/zinc/44/97/52/442449752.db2.gz PTRDUPLSOGKUJN-ZDUSSCGKSA-N 0 0 341.415 1.151 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(N(C)C)nc1)CC2 ZINC000134124332 442452136 /nfs/dbraw/zinc/45/21/36/442452136.db2.gz CSNVROIPGUWWER-ZDUSSCGKSA-N 0 0 328.420 1.607 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000186069930 442456312 /nfs/dbraw/zinc/45/63/12/442456312.db2.gz FJHPUPUNSMYVQM-ZDUSSCGKSA-N 0 0 337.387 1.891 10 0 EDAERN O=C(c1cc(=O)[nH]c2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172765626 442538186 /nfs/dbraw/zinc/53/81/86/442538186.db2.gz JIAJCWMSTHBLKE-ZDUSSCGKSA-N 0 0 327.384 1.487 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CNC(=O)CCC(C)C)C12CCOCC2 ZINC000186465072 442539881 /nfs/dbraw/zinc/53/98/81/442539881.db2.gz VKWNHDAYTPGVLR-CABCVRRESA-N 0 0 340.464 1.629 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000180095644 442540334 /nfs/dbraw/zinc/54/03/34/442540334.db2.gz OSIYSNGRXRJQHR-LLVKDONJSA-N 0 0 336.417 1.548 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C12CCOCC2 ZINC000186469842 442540933 /nfs/dbraw/zinc/54/09/33/442540933.db2.gz JTKCDFUBYOHOJQ-CHWSQXEVSA-N 0 0 335.404 1.091 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000172776923 442541191 /nfs/dbraw/zinc/54/11/91/442541191.db2.gz QCKDNCMNQRGGLP-CYBMUJFWSA-N 0 0 330.413 1.946 10 0 EDAERN O=C(NC[C@@H]1CCCO1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178920260 442526019 /nfs/dbraw/zinc/52/60/19/442526019.db2.gz SJQUXZIIAMNMGA-XUJVJEKNSA-N 0 0 326.343 1.961 10 0 EDAERN CCOC(=O)C[C@H](C)CNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000134829524 442526659 /nfs/dbraw/zinc/52/66/59/442526659.db2.gz SRYRSDNFUQIXFQ-DZGCQCFKSA-N 0 0 336.436 1.955 10 0 EDAERN O=C(CCOCC(F)(F)F)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135305015 442578170 /nfs/dbraw/zinc/57/81/70/442578170.db2.gz NFSCEYZPRSUGTI-LLVKDONJSA-N 0 0 332.326 1.531 10 0 EDAERN Cc1c(CNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000179152101 442583624 /nfs/dbraw/zinc/58/36/24/442583624.db2.gz QAXDXUCIZOOZHI-LLVKDONJSA-N 0 0 339.440 1.831 10 0 EDAERN CC(=O)Nc1nc(C(=O)N[C@H](C)c2nnc3n2CCCC3)cs1 ZINC000135398439 442590709 /nfs/dbraw/zinc/59/07/09/442590709.db2.gz CJJUKDDJXPQALV-MRVPVSSYSA-N 0 0 334.405 1.520 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000179233875 442602706 /nfs/dbraw/zinc/60/27/06/442602706.db2.gz UKTXKEFOQNZVHK-ZFWWWQNUSA-N 0 0 346.431 1.652 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000173105977 442604688 /nfs/dbraw/zinc/60/46/88/442604688.db2.gz NNMCGKOFZXXEBQ-IUODEOHRSA-N 0 0 340.514 1.994 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(Br)c(C)[nH]c1=O)C(C)C ZINC000187015904 442645198 /nfs/dbraw/zinc/64/51/98/442645198.db2.gz OCNNNYDVABUBNQ-SNVBAGLBSA-N 0 0 344.209 1.359 10 0 EDAERN CCCOc1ccc2c(c1)CCN(C(=O)NC[C@H]1CN(C)CCO1)C2 ZINC000158105770 442646682 /nfs/dbraw/zinc/64/66/82/442646682.db2.gz MVWJWIHSVPNIFW-SFHVURJKSA-N 0 0 347.459 1.874 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)C12CCOCC2 ZINC000187028657 442646964 /nfs/dbraw/zinc/64/69/64/442646964.db2.gz SMVHHGZAJNYVPW-CABCVRRESA-N 0 0 333.432 1.852 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)CC1CCOCC1)CC2 ZINC000173183154 442619529 /nfs/dbraw/zinc/61/95/29/442619529.db2.gz JOTVXSNJRBQAEO-CYBMUJFWSA-N 0 0 342.465 1.062 10 0 EDAERN CC(C)c1nnc2n1C[C@H](Nc1cc(N3CCOCC3)ncn1)CC2 ZINC000192295995 442627840 /nfs/dbraw/zinc/62/78/40/442627840.db2.gz CYECUXFYFPCCCK-CYBMUJFWSA-N 0 0 343.435 1.455 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000180597694 442631114 /nfs/dbraw/zinc/63/11/14/442631114.db2.gz DSWZBCUHPXPZJZ-UONOGXRCSA-N 0 0 342.399 1.683 10 0 EDAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000180611540 442634020 /nfs/dbraw/zinc/63/40/20/442634020.db2.gz QIDXKPIEFJGBTE-LLVKDONJSA-N 0 0 331.338 1.576 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(C(C)(F)F)c1)C(C)C ZINC000187481760 442678232 /nfs/dbraw/zinc/67/82/32/442678232.db2.gz VEMPDHXRVBLHNG-GFCCVEGCSA-N 0 0 341.358 1.624 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)C(C)C ZINC000181140754 442681876 /nfs/dbraw/zinc/68/18/76/442681876.db2.gz HWVOPVSAHSLAJU-BLLLJJGKSA-N 0 0 349.406 1.374 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C)c(O)c3)C2=O)n(C)n1 ZINC000181140920 442682015 /nfs/dbraw/zinc/68/20/15/442682015.db2.gz YVNCXPDLDSDMHZ-CQSZACIVSA-N 0 0 342.399 1.668 10 0 EDAERN OC[C@H]1CCCN1c1cc(N2CC(O)(c3ccc(F)cc3)C2)ncn1 ZINC000192785660 442686467 /nfs/dbraw/zinc/68/64/67/442686467.db2.gz RNWSLFGEYNPPFV-OAHLLOKOSA-N 0 0 344.390 1.285 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(Br)ncc1Cl ZINC000188067202 442707551 /nfs/dbraw/zinc/70/75/51/442707551.db2.gz HFELYXMNLCZNAX-ZETCQYMHSA-N 0 0 346.612 1.848 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c(Cl)c1 ZINC000187988787 442702300 /nfs/dbraw/zinc/70/23/00/442702300.db2.gz LJGSAMXPITXMBR-UHFFFAOYSA-N 0 0 335.791 1.324 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cc(C)cc(C)c2)CC1 ZINC000181822154 442718161 /nfs/dbraw/zinc/71/81/61/442718161.db2.gz KRTVVTDBKQHGLD-GOSISDBHSA-N 0 0 333.476 1.944 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)/C=C/c3cncc(O)c3)CCO2)n1 ZINC000182001133 442726602 /nfs/dbraw/zinc/72/66/02/442726602.db2.gz FWROFNAKRQCWMK-REMYHPOOSA-N 0 0 342.399 1.541 10 0 EDAERN CC(C)c1n[nH]cc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193329206 442733600 /nfs/dbraw/zinc/73/36/00/442733600.db2.gz FENBUWLCLNBPTA-JTQLQIEISA-N 0 0 336.417 1.672 10 0 EDAERN O=C(CCc1ccc2ccccc2c1)NC[C@H](O)CN1CCOCC1 ZINC000193553198 442753167 /nfs/dbraw/zinc/75/31/67/442753167.db2.gz HFJPRRHOODQCNL-IBGZPJMESA-N 0 0 342.439 1.582 10 0 EDAERN COCCOc1cccc(CN2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000188468340 442753438 /nfs/dbraw/zinc/75/34/38/442753438.db2.gz MSUBWZVLDGNAAE-MRXNPFEDSA-N 0 0 333.388 1.977 10 0 EDAERN COc1cccc(-c2nc(C)c(C(=O)N3CCCNC(=O)[C@@H]3C)[nH]2)c1 ZINC000188071581 442707976 /nfs/dbraw/zinc/70/79/76/442707976.db2.gz QZOUEOZLJVCQAA-LBPRGKRZSA-N 0 0 342.399 1.744 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)[C@@H](C)C2 ZINC000181695652 442710498 /nfs/dbraw/zinc/71/04/98/442710498.db2.gz FILQHWOKJBTXBU-BLLLJJGKSA-N 0 0 341.415 1.681 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCCOC(C)C)C(C)C ZINC000182682251 442806667 /nfs/dbraw/zinc/80/66/67/442806667.db2.gz SOFKDKKDWKRSOE-MRXNPFEDSA-N 0 0 336.432 1.991 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O ZINC000188575187 442765020 /nfs/dbraw/zinc/76/50/20/442765020.db2.gz MZJCODKCUSRSIE-BZPMIXESSA-N 0 0 332.404 1.309 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cn3ccnc3s1)CC2 ZINC000188648465 442780036 /nfs/dbraw/zinc/78/00/36/442780036.db2.gz AFSRRIDPXBZGLM-JTQLQIEISA-N 0 0 330.417 1.856 10 0 EDAERN O=S(=O)(C[C@@H]1CCCO1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000188871744 442832234 /nfs/dbraw/zinc/83/22/34/442832234.db2.gz ZGBWGVMYHZXBQA-HZSPNIEDSA-N 0 0 331.459 1.265 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1C ZINC000247095009 442834485 /nfs/dbraw/zinc/83/44/85/442834485.db2.gz QAIIQJFTRQLCTA-KBPBESRZSA-N 0 0 333.432 1.155 10 0 EDAERN COc1cccc2c1CC[C@H]2NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188896763 442838030 /nfs/dbraw/zinc/83/80/30/442838030.db2.gz UIHGQBUBLWJYPK-MRXNPFEDSA-N 0 0 343.427 1.993 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000188955879 442848907 /nfs/dbraw/zinc/84/89/07/442848907.db2.gz ONWYJVCSBOAKTR-SECBINFHSA-N 0 0 331.294 1.373 10 0 EDAERN O=C(C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000194268571 442868991 /nfs/dbraw/zinc/86/89/91/442868991.db2.gz NBIFOFXZDLENRN-GOSISDBHSA-N 0 0 338.407 1.747 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cnn(CC(C)C)c3)CC2)no1 ZINC000183090677 442878030 /nfs/dbraw/zinc/87/80/30/442878030.db2.gz KHBSJRYQROZCOY-UHFFFAOYSA-N 0 0 346.435 1.579 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000189154231 442887407 /nfs/dbraw/zinc/88/74/07/442887407.db2.gz UHPMDAUIVMDAOV-PSOPSSQASA-N 0 0 340.807 1.205 10 0 EDAERN CCOC(=O)[C@@H](CC)N(C(=O)[C@@H](C)NC(=O)c1ccco1)C1CC1 ZINC000189200344 442896795 /nfs/dbraw/zinc/89/67/95/442896795.db2.gz KPXOIEZUPAOYDK-DGCLKSJQSA-N 0 0 336.388 1.731 10 0 EDAERN CCSCc1cc(C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)no1 ZINC000248590293 442903770 /nfs/dbraw/zinc/90/37/70/442903770.db2.gz YBZPKGOJPYTYDQ-STQMWFEESA-N 0 0 341.477 1.845 10 0 EDAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCC(Nc2cccnn2)CC1 ZINC000189346258 442926359 /nfs/dbraw/zinc/92/63/59/442926359.db2.gz OEFSGEYKBYRFIY-UHFFFAOYSA-N 0 0 349.398 1.978 10 0 EDAERN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000194815708 442958489 /nfs/dbraw/zinc/95/84/89/442958489.db2.gz ZIHLILDJRZRTHV-HNNXBMFYSA-N 0 0 343.427 1.942 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3c3nc(C)no3)[nH]n2)o1 ZINC000183764445 442960998 /nfs/dbraw/zinc/96/09/98/442960998.db2.gz YGZIHNSUVNKLFP-CYBMUJFWSA-N 0 0 343.343 1.883 10 0 EDAERN Cc1noc2nc(C3CC3)cc(C(=O)N3CC(NC(=O)C4CC4)C3)c12 ZINC000189469285 442962628 /nfs/dbraw/zinc/96/26/28/442962628.db2.gz GTZSIKDQCAKTOU-UHFFFAOYSA-N 0 0 340.383 1.759 10 0 EDAERN O=C(Nc1ccc(N2CCOCC2)cn1)N[C@@H]1CCCC[C@H]1CO ZINC000194924437 442969794 /nfs/dbraw/zinc/96/97/94/442969794.db2.gz NAYTXTMIPPWHTO-DZGCQCFKSA-N 0 0 334.420 1.591 10 0 EDAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000194187254 318588833 /nfs/dbraw/zinc/58/88/33/318588833.db2.gz SOCLINKLQCHLRX-CQSZACIVSA-N 0 0 338.371 1.209 10 0 EDAERN CCc1nnc(CN(C)Cc2ccccc2N2CCOCC2)n1C ZINC000195038020 442977877 /nfs/dbraw/zinc/97/78/77/442977877.db2.gz JUQUOFLBOUTEMV-UHFFFAOYSA-N 0 0 329.448 1.846 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCCCNC1=O ZINC000249691765 442999985 /nfs/dbraw/zinc/99/99/85/442999985.db2.gz UMYDPODGFKEAGZ-CWRNSKLLSA-N 0 0 345.443 1.616 10 0 EDAERN Cc1csc([C@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)n1 ZINC000249887155 443008705 /nfs/dbraw/zinc/00/87/05/443008705.db2.gz PMBWUNNLYINIOE-UKRRQHHQSA-N 0 0 338.429 1.996 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cn(C(C)(C)C)nn1 ZINC000250744843 443013403 /nfs/dbraw/zinc/01/34/03/443013403.db2.gz QSXNWBIPVAAJRG-BNOWGMLFSA-N 0 0 334.420 1.979 10 0 EDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000189813475 443015573 /nfs/dbraw/zinc/01/55/73/443015573.db2.gz MSHYPFIBNZSIIZ-CMPLNLGQSA-N 0 0 347.337 1.968 10 0 EDAERN CCOc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CC)n2CC)ccc1O ZINC000195512085 443025972 /nfs/dbraw/zinc/02/59/72/443025972.db2.gz PIGGXSOAOBPEGF-UHFFFAOYSA-N 0 0 344.371 1.697 10 0 EDAERN COc1ccc(C(=O)NC[C@H](C)N2CCOCC2)c(OC(C)C)c1 ZINC000189994572 443043928 /nfs/dbraw/zinc/04/39/28/443043928.db2.gz ASBNMCANYQRFMT-AWEZNQCLSA-N 0 0 336.432 1.933 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2COc3ccccc3C2)CC1 ZINC000184875559 443090225 /nfs/dbraw/zinc/09/02/25/443090225.db2.gz UTNCFDUCGXWFEW-HOTGVXAUSA-N 0 0 333.432 1.088 10 0 EDAERN CCOC(=O)[C@@H](N)C(=O)N[C@H](C)c1ccccc1Br ZINC000223935500 443095931 /nfs/dbraw/zinc/09/59/31/443095931.db2.gz HYRAKABVKHTOLS-KCJUWKMLSA-N 0 0 329.194 1.517 10 0 EDAERN COc1ccc(C(=O)NCc2nc(C)cc(N(C)C)n2)cc1OC ZINC000224185608 443096971 /nfs/dbraw/zinc/09/69/71/443096971.db2.gz NGOSCTHDCBSQQO-UHFFFAOYSA-N 0 0 330.388 1.798 10 0 EDAERN O=C(/C=C\c1ccc(Cl)nc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000255426873 443098119 /nfs/dbraw/zinc/09/81/19/443098119.db2.gz HDYQWOULGJAWNG-PKXJPQMGSA-N 0 0 332.791 1.872 10 0 EDAERN CCc1nnc(CS(=O)(=O)c2ccc(OCCOC)cc2)n1C ZINC000184633964 443053202 /nfs/dbraw/zinc/05/32/02/443053202.db2.gz SGOHVUMBJFLAKB-UHFFFAOYSA-N 0 0 339.417 1.377 10 0 EDAERN COCc1noc([C@@H]2CN(C(=O)C3(C)CCCCC3)C[C@H]2CO)n1 ZINC000253412872 443059285 /nfs/dbraw/zinc/05/92/85/443059285.db2.gz SINUOPKJRJFHII-QWHCGFSZSA-N 0 0 337.420 1.721 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)C2=Cc3ccccc3OCC2)c1 ZINC000184752216 443071805 /nfs/dbraw/zinc/07/18/05/443071805.db2.gz RDGQUVHYMYQSFR-UHFFFAOYSA-N 0 0 333.413 1.935 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)/C=C\c3cccnc3)CC2)n1 ZINC000254968247 443079791 /nfs/dbraw/zinc/07/97/91/443079791.db2.gz HGKWTQRXJZJTBW-AFNCTOJWSA-N 0 0 341.415 1.946 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1 ZINC000184833278 443083363 /nfs/dbraw/zinc/08/33/63/443083363.db2.gz QHZJETRQHGJXFY-AEFFLSMTSA-N 0 0 348.491 1.609 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000190471861 443114672 /nfs/dbraw/zinc/11/46/72/443114672.db2.gz DCKRTXNDJHNQOG-UHFFFAOYSA-N 0 0 333.775 1.884 10 0 EDAERN COc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1F ZINC000184999083 443114922 /nfs/dbraw/zinc/11/49/22/443114922.db2.gz CDXDCVYHUSVPLW-NSHDSACASA-N 0 0 347.350 1.324 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2nccc(N)n2)CC1 ZINC000190510824 443123713 /nfs/dbraw/zinc/12/37/13/443123713.db2.gz VVAVUHOIVZTCJE-AWEZNQCLSA-N 0 0 349.479 1.687 10 0 EDAERN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000190723642 443171264 /nfs/dbraw/zinc/17/12/64/443171264.db2.gz JITRMRHKQLZCMS-MJGOQNOKSA-N 0 0 349.475 1.690 10 0 EDAERN Cc1cccc2c1N(C(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1)CC2 ZINC000190744138 443174483 /nfs/dbraw/zinc/17/44/83/443174483.db2.gz MLNXSVOKDJMPMY-MRXNPFEDSA-N 0 0 338.411 1.772 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000190791309 443184111 /nfs/dbraw/zinc/18/41/11/443184111.db2.gz FHLJZJHSBXNDPB-MRXNPFEDSA-N 0 0 349.475 1.907 10 0 EDAERN CO[C@H](C)CNC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000190669363 443161412 /nfs/dbraw/zinc/16/14/12/443161412.db2.gz JOISICZJFNSCSM-MCIONIFRSA-N 0 0 341.477 1.844 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000190678139 443162283 /nfs/dbraw/zinc/16/22/83/443162283.db2.gz VLYJVNMHSRZGAW-MRVPVSSYSA-N 0 0 327.743 1.155 10 0 EDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000190989378 443220282 /nfs/dbraw/zinc/22/02/82/443220282.db2.gz MLTTWPZXWYCBSO-SECBINFHSA-N 0 0 336.335 1.605 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3ccc(N(C)CC)nc3)CCO2)[nH]1 ZINC000191155559 443249600 /nfs/dbraw/zinc/24/96/00/443249600.db2.gz QGHGBKKMTBTYNE-CQSZACIVSA-N 0 0 330.436 1.792 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC000185753996 443251370 /nfs/dbraw/zinc/25/13/70/443251370.db2.gz QAQNQGXZPCEHGM-AWEZNQCLSA-N 0 0 347.459 1.897 10 0 EDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)Cc3noc4ccccc43)C2)cn1 ZINC000185807007 443260437 /nfs/dbraw/zinc/26/04/37/443260437.db2.gz VNGWAUITWFULSK-GFCCVEGCSA-N 0 0 346.412 1.881 10 0 EDAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000246173600 443275454 /nfs/dbraw/zinc/27/54/54/443275454.db2.gz IBHURGKUONECAQ-PHYLKHFNSA-N 0 0 331.482 1.136 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)N2CCOC3(CCC3)C2)C12CCOCC2 ZINC000185986344 443294488 /nfs/dbraw/zinc/29/44/88/443294488.db2.gz HEWBXLPLHNQTHO-GJZGRUSLSA-N 0 0 338.448 1.925 10 0 EDAERN CCOCCO[C@H]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000246198416 443277915 /nfs/dbraw/zinc/27/79/15/443277915.db2.gz APMPHEBVBZERRX-GJZGRUSLSA-N 0 0 336.436 1.070 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)C1 ZINC000191347941 443282022 /nfs/dbraw/zinc/28/20/22/443282022.db2.gz GBJOMRMVJXOPGD-UHFFFAOYSA-N 0 0 344.198 1.587 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC000185991962 443295080 /nfs/dbraw/zinc/29/50/80/443295080.db2.gz OWLNWMZGLLXBBA-GFCCVEGCSA-N 0 0 339.461 1.501 10 0 EDAERN COC(=O)C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 ZINC000185805413 443260863 /nfs/dbraw/zinc/26/08/63/443260863.db2.gz NGESCMOTELBLTH-HNNXBMFYSA-N 0 0 334.397 1.852 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000191250890 443266170 /nfs/dbraw/zinc/26/61/70/443266170.db2.gz NOBGZUKRLOGVNA-CYBMUJFWSA-N 0 0 327.388 1.292 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(C)o1 ZINC000299740723 444128757 /nfs/dbraw/zinc/12/87/57/444128757.db2.gz BIZCPDZWHFQBMM-RKDXNWHRSA-N 0 0 340.323 1.181 10 0 EDAERN Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4nncn4C)C3)c2c1 ZINC000328633316 444404739 /nfs/dbraw/zinc/40/47/39/444404739.db2.gz SLIQZICVBJEKBA-ZDUSSCGKSA-N 0 0 326.360 1.214 10 0 EDAERN CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N(C)[C@H]2CCOC2)n1C ZINC000328637762 444407566 /nfs/dbraw/zinc/40/75/66/444407566.db2.gz OUAODOKDYFWHRV-GOEBONIOSA-N 0 0 333.432 1.960 10 0 EDAERN CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cc(C)oc2C)n1 ZINC000328640973 444409664 /nfs/dbraw/zinc/40/96/64/444409664.db2.gz XSAORZOMSPCPHP-WDEREUQCSA-N 0 0 341.389 1.338 10 0 EDAERN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000583615137 448441395 /nfs/dbraw/zinc/44/13/95/448441395.db2.gz HDQGWPLLRGBBEE-WPRPVWTQSA-N 0 0 348.325 1.753 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000583616297 448442641 /nfs/dbraw/zinc/44/26/41/448442641.db2.gz CZFAXROQSYMJKT-BZUAXINKSA-N 0 0 325.430 1.546 10 0 EDAERN O[C@]1(c2cn[nH]n2)CCCN(Cc2cncc(Br)c2)C1 ZINC000583617538 448444874 /nfs/dbraw/zinc/44/48/74/448444874.db2.gz PHIGFULFUCXPHX-CYBMUJFWSA-N 0 0 338.209 1.446 10 0 EDAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617706 448445012 /nfs/dbraw/zinc/44/50/12/448445012.db2.gz HKTYFICWFTYNBT-GOSISDBHSA-N 0 0 339.399 1.729 10 0 EDAERN CC[NH+]1CCN([C@H]2C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000536960252 448549204 /nfs/dbraw/zinc/54/92/04/448549204.db2.gz ULEPMJRNHPNDFF-KBPBESRZSA-N 0 0 341.452 1.334 10 0 EDAERN CN1C[C@H](CNC(=O)c2cccc(Br)c2F)CC1=O ZINC000618996888 450368764 /nfs/dbraw/zinc/36/87/64/450368764.db2.gz HGPNSEKIJDNHAI-QMMMGPOBSA-N 0 0 329.169 1.796 10 0 EDAERN CN1C[C@H](CNC(=O)c2ccc(Br)cc2O)CC1=O ZINC000619002672 450372616 /nfs/dbraw/zinc/37/26/16/450372616.db2.gz YLVLXUVJVAOBDY-QMMMGPOBSA-N 0 0 327.178 1.363 10 0 EDAERN CN1C[C@H](CNC(=O)c2cc(Br)ccc2O)CC1=O ZINC000619008483 450376795 /nfs/dbraw/zinc/37/67/95/450376795.db2.gz SMKWJXDSXLPYFH-QMMMGPOBSA-N 0 0 327.178 1.363 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H](C)O2)o1 ZINC000619286949 450446636 /nfs/dbraw/zinc/44/66/36/450446636.db2.gz BHBAWGZDBONCGL-NOZJJQNGSA-N 0 0 332.360 1.847 10 0 EDAERN CCn1cc(O[C@@H]2CN(Cc3cc(-c4ccco4)on3)C[C@H]2O)cn1 ZINC000625622725 450455948 /nfs/dbraw/zinc/45/59/48/450455948.db2.gz TUHHZEMIYSROGO-RHSMWYFYSA-N 0 0 344.371 1.775 10 0 EDAERN NC(=O)c1cccc([C@H]2Cc3ccccc3N(S(N)(=O)=O)C2)c1 ZINC000616689723 450460450 /nfs/dbraw/zinc/46/04/50/450460450.db2.gz LSHITGMXTNBPER-AWEZNQCLSA-N 0 0 331.397 1.135 10 0 EDAERN CSc1nc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c2ccccn21 ZINC000616769542 450479708 /nfs/dbraw/zinc/47/97/08/450479708.db2.gz FGJWFXJJCKNMBN-OSMZGAPFSA-N 0 0 343.412 1.357 10 0 EDAERN Cc1cc(C)n([C@@H](C)CC(=O)N2CC(OCc3nnc(C)o3)C2)n1 ZINC000644211675 453143885 /nfs/dbraw/zinc/14/38/85/453143885.db2.gz AFKAOFAXNGLXBQ-LBPRGKRZSA-N 0 0 333.392 1.570 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)CC[C@@H]3CCCO3)CCO2)n1 ZINC000193946013 486505763 /nfs/dbraw/zinc/50/57/63/486505763.db2.gz APQCESMVHHHFIP-QWHCGFSZSA-N 0 0 346.474 1.724 10 0 EDAERN O=C(CCC(=O)Nc1cccc(F)c1)Nc1nnc2ccccn21 ZINC000065314388 490997361 /nfs/dbraw/zinc/99/73/61/490997361.db2.gz VWWAFHHVDCNIMG-UHFFFAOYSA-N 0 0 327.319 2.226 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1F ZINC000173698015 534168906 /nfs/dbraw/zinc/16/89/06/534168906.db2.gz QSMSWJNYPUEGNS-ZDUSSCGKSA-N 0 0 331.351 1.528 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)c2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000173963465 534298797 /nfs/dbraw/zinc/29/87/97/534298797.db2.gz TUUXWQJMJKVLOY-IUODEOHRSA-N 0 0 336.819 1.702 10 0 EDAERN Cc1noc(CCNC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)n1 ZINC000187610970 534403352 /nfs/dbraw/zinc/40/33/52/534403352.db2.gz XVINABFAWGMBBP-WDEREUQCSA-N 0 0 342.371 1.384 10 0 EDAERN O=C(NCCc1cc(F)cc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173797731 534441996 /nfs/dbraw/zinc/44/19/96/534441996.db2.gz NBCCQRKDQHLEKM-MRXNPFEDSA-N 0 0 339.386 1.623 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173802781 534675253 /nfs/dbraw/zinc/67/52/53/534675253.db2.gz PIPOABXWXDUODK-RDTXWAMCSA-N 0 0 342.443 1.524 10 0 EDAERN O=C(CSc1nnc2ccccn21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000183975113 534677867 /nfs/dbraw/zinc/67/78/67/534677867.db2.gz QMBOGRRYLZCASS-DYVFJYSZSA-N 0 0 346.456 1.975 10 0 EDAERN CC[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)C[C@@H](C)O1 ZINC000188662908 523395356 /nfs/dbraw/zinc/39/53/56/523395356.db2.gz CZJUMBWATNACEC-GDBMZVCRSA-N 0 0 345.443 1.894 10 0 EDAERN C[C@@H]1CN(C(C)(C)CNC(=O)c2cnn3ccncc23)C[C@@H](C)O1 ZINC000188500123 524889375 /nfs/dbraw/zinc/88/93/75/524889375.db2.gz RQIWIMUXCZQJOK-CHWSQXEVSA-N 0 0 331.420 1.347 10 0 EDAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000173767798 534842726 /nfs/dbraw/zinc/84/27/26/534842726.db2.gz JGUVYFRTYFSAQL-OAHLLOKOSA-N 0 0 344.415 1.510 10 0 EDAERN C[C@@H]1[C@H](C)OCCN1C(=O)NCCN1CCc2ccccc2C1=O ZINC000188630206 525685824 /nfs/dbraw/zinc/68/58/24/525685824.db2.gz CXLPVIXTRHHRCX-KGLIPLIRSA-N 0 0 331.416 1.504 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000173549551 526485677 /nfs/dbraw/zinc/48/56/77/526485677.db2.gz BMGQBWJKQJMCMB-JHJVBQTASA-N 0 0 349.435 1.403 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000190221490 526707999 /nfs/dbraw/zinc/70/79/99/526707999.db2.gz BUASHPWPWKRDPH-UHFFFAOYSA-N 0 0 334.807 1.894 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ccc(C)cc2OCC2CC2)C1 ZINC000190244867 526708368 /nfs/dbraw/zinc/70/83/68/526708368.db2.gz ZPIRCCCWHCEDCO-UHFFFAOYSA-N 0 0 331.416 1.814 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2ncc(-c3ccccc3)cn2)C1 ZINC000190326792 526710003 /nfs/dbraw/zinc/71/00/03/526710003.db2.gz PCPIVUMIVHHAEH-UHFFFAOYSA-N 0 0 325.372 1.174 10 0 EDAERN O=C(CNC(=O)c1ccc(Br)cc1)NCc1cn[nH]c1 ZINC000038006840 526854061 /nfs/dbraw/zinc/85/40/61/526854061.db2.gz KVJKTTIHNRWWCE-UHFFFAOYSA-N 0 0 337.177 1.218 10 0 EDAERN CC1(C)NC(=O)CCN(Cc2ccc(Br)cn2)C1=O ZINC000168913808 527779536 /nfs/dbraw/zinc/77/95/36/527779536.db2.gz VFPWYOJAUHHIBZ-UHFFFAOYSA-N 0 0 326.194 1.471 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCc1nc2ccccc2[nH]1 ZINC000184198597 528478110 /nfs/dbraw/zinc/47/81/10/528478110.db2.gz VAOALODGWNLSLA-MRXNPFEDSA-N 0 0 330.432 1.723 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N(C)Cc1ccc(C(=O)NC)cc1 ZINC000184199156 528481671 /nfs/dbraw/zinc/48/16/71/528481671.db2.gz ZGJBLGJAXAALSW-KRWDZBQOSA-N 0 0 347.459 1.506 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1cccc(NC(C)=O)c1 ZINC000184266649 528482707 /nfs/dbraw/zinc/48/27/07/528482707.db2.gz IJKGHOXDJJIBOQ-KRWDZBQOSA-N 0 0 333.432 1.762 10 0 EDAERN CCCc1cc(N2CCO[C@H](c3nnc(CC)[nH]3)C2)n2ncnc2n1 ZINC000131676461 528601003 /nfs/dbraw/zinc/60/10/03/528601003.db2.gz DRCQNVTXEDLCQR-LBPRGKRZSA-N 0 0 342.407 1.335 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(C(=O)NC)c2)C[C@H]1CC ZINC000173789907 528747545 /nfs/dbraw/zinc/74/75/45/528747545.db2.gz XFJHYCQTKHOBIS-QGZVFWFLSA-N 0 0 347.459 1.619 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc3c1OCO3)CC2 ZINC000195281346 535029400 /nfs/dbraw/zinc/02/94/00/535029400.db2.gz PKLMTSQOIUSBON-LLVKDONJSA-N 0 0 328.372 1.875 10 0 EDAERN CCOCCN1CCN(CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC000247124017 535604185 /nfs/dbraw/zinc/60/41/85/535604185.db2.gz JYFOHDPGVGKSOB-CYBMUJFWSA-N 0 0 341.402 1.946 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)c1ccccc1F)CC2 ZINC000114978007 536164110 /nfs/dbraw/zinc/16/41/10/536164110.db2.gz MMMNDKWAVIPSEL-RISCZKNCSA-N 0 0 347.394 1.327 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC2(C)OCCCO2)[C@H]1c1ccccc1 ZINC000191100371 536308977 /nfs/dbraw/zinc/30/89/77/536308977.db2.gz KARUUMHGFMEUGW-DOTOQJQBSA-N 0 0 346.427 1.865 10 0 EDAERN CN[C@H](C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 ZINC000262195231 536382921 /nfs/dbraw/zinc/38/29/21/536382921.db2.gz MMGWVBCCXWCFKA-SJORKVTESA-N 0 0 344.459 1.828 10 0 EDAERN CN[C@H](C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1cnn(C)c1 ZINC000262235711 536386308 /nfs/dbraw/zinc/38/63/08/536386308.db2.gz QWNSHRCKQQGZKK-PXAZEXFGSA-N 0 0 346.431 1.884 10 0 EDAERN COCc1ccc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)o1 ZINC000110945469 536745414 /nfs/dbraw/zinc/74/54/14/536745414.db2.gz CDZUAQHVPWFMSR-UHFFFAOYSA-N 0 0 334.376 1.466 10 0 EDAERN COCc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 ZINC000073561624 536775278 /nfs/dbraw/zinc/77/52/78/536775278.db2.gz QBGFEGUFWVVULO-QGZVFWFLSA-N 0 0 341.411 1.729 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)c2nccs2)C[C@@H]1C ZINC000248607335 536869696 /nfs/dbraw/zinc/86/96/96/536869696.db2.gz KELAYDIABBUSMR-STQMWFEESA-N 0 0 326.466 1.609 10 0 EDAERN CN1C(=O)N[C@]2(CCN(c3nnc(-c4ccc(O)cc4)s3)C2)C1=O ZINC000892195661 590860640 /nfs/dbraw/zinc/86/06/40/590860640.db2.gz UWNPPVOKCSQOHA-HNNXBMFYSA-N 0 0 345.384 1.041 10 0 EDAERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nn1-c1ccccc1 ZINC000888077252 590931967 /nfs/dbraw/zinc/93/19/67/590931967.db2.gz WQGIYHKQZOXWKM-USXIJHARSA-N 0 0 337.383 1.482 10 0 EDAERN CCC(CC)n1ccc(CN2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000888077787 590934152 /nfs/dbraw/zinc/93/41/52/590934152.db2.gz VBJWGULZTXZYJZ-GOSISDBHSA-N 0 0 346.479 1.942 10 0 EDAERN Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNc3cnc4c(n3)CCCC4)C2)n[nH]1 ZINC000888078489 590935384 /nfs/dbraw/zinc/93/53/84/590935384.db2.gz VWVZRWNTKVLZSB-YWPYICTPSA-N 0 0 328.420 1.749 10 0 EDAERN CSc1cc(NC(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)ncn1 ZINC000888954142 590940456 /nfs/dbraw/zinc/94/04/56/590940456.db2.gz HEZZRLMEIHEXDQ-SNVBAGLBSA-N 0 0 333.421 1.442 10 0 EDAERN Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899075043 591673222 /nfs/dbraw/zinc/67/32/22/591673222.db2.gz SRDZNBMEENQWCM-CQSZACIVSA-N 0 0 328.420 1.522 10 0 EDAERN Cc1nn2cccnc2c1C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899076248 591673806 /nfs/dbraw/zinc/67/38/06/591673806.db2.gz MVYOQYNNHRATNL-ZDUSSCGKSA-N 0 0 337.387 1.594 10 0 EDAERN O=C(c1csc2cncn21)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899078854 591675496 /nfs/dbraw/zinc/67/54/96/591675496.db2.gz RCHRVGJSKCDIAC-NSHDSACASA-N 0 0 328.401 1.952 10 0 EDAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)C/C=C/c1ccc(F)cc1)C2 ZINC000818350599 593694198 /nfs/dbraw/zinc/69/41/98/593694198.db2.gz LRRRNEWJYQKVPR-HSWBROFVSA-N 0 0 343.362 1.025 10 0 EDAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC000855977433 595872726 /nfs/dbraw/zinc/87/27/26/595872726.db2.gz LKWGZEZWHCHCDC-GOEBONIOSA-N 0 0 342.399 1.417 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccsc1 ZINC000120404930 596495870 /nfs/dbraw/zinc/49/58/70/596495870.db2.gz OUOJKBUSJULDDV-SNVBAGLBSA-N 0 0 349.437 1.492 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)Cn2nc(COC)oc2=O)C12CCCC2 ZINC000119755080 596736476 /nfs/dbraw/zinc/73/64/76/596736476.db2.gz IHAFRNRKFNQHTP-QWHCGFSZSA-N 0 0 325.409 1.610 10 0 EDAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Nc2ncccn2)C1 ZINC000888694585 597070772 /nfs/dbraw/zinc/07/07/72/597070772.db2.gz BPNMDWVRKAVVET-GFCCVEGCSA-N 0 0 328.376 1.623 10 0 EDAERN CCOC(=O)c1cnn(CN2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000133235907 597950455 /nfs/dbraw/zinc/95/04/55/597950455.db2.gz RWISVBOEBMEQOV-UHFFFAOYSA-N 0 0 331.420 1.933 10 0 EDAERN COc1ccc(-c2nc(COC(=O)[C@H]3CNC(=O)C3)cs2)cc1 ZINC000174979640 697649609 /nfs/dbraw/zinc/64/96/09/697649609.db2.gz AWHZTNMXEQBMFC-LLVKDONJSA-N 0 0 332.381 1.998 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000181227524 699280749 /nfs/dbraw/zinc/28/07/49/699280749.db2.gz VPAPJZUGNDLZTL-MWQHPAIMSA-N 0 0 336.413 1.110 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)NNc1ccccn1)C(C)C ZINC000181231371 699282069 /nfs/dbraw/zinc/28/20/69/699282069.db2.gz YOMXGIJCQKCROE-INIZCTEOSA-N 0 0 342.399 1.988 10 0 EDAERN CCc1noc([C@H](C)N2CCN(Cn3cc([N+](=O)[O-])c(C)n3)CC2)n1 ZINC000183333805 701586996 /nfs/dbraw/zinc/58/69/96/701586996.db2.gz CPBHDZHGSKHYBV-LBPRGKRZSA-N 0 0 349.395 1.381 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000184399369 703151193 /nfs/dbraw/zinc/15/11/93/703151193.db2.gz CJJMPWNJBYYWMR-GOSISDBHSA-N 0 0 342.443 1.989 10 0 EDAERN CO[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccccc1C(N)=S ZINC000050375049 214054689 /nfs/dbraw/zinc/05/46/89/214054689.db2.gz YBGNLEXEFYDYPP-STQMWFEESA-N 0 0 328.459 1.308 10 0 EDAERN CO[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000050373820 214054853 /nfs/dbraw/zinc/05/48/53/214054853.db2.gz WLWJSHJNNYWYIW-JGVFFNPUSA-N 0 0 335.838 1.895 10 0 EDAERN COCCNCc1nnnn1-c1cc(Br)ccc1F ZINC000054745096 214253622 /nfs/dbraw/zinc/25/36/22/214253622.db2.gz NLWTUUUKYSPYRY-UHFFFAOYSA-N 0 0 330.161 1.300 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CCO2)[nH]1 ZINC000173736647 231018921 /nfs/dbraw/zinc/01/89/21/231018921.db2.gz HQOUHKHUWSRMPG-GFCCVEGCSA-N 0 0 344.343 1.154 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)s3)CCO2)[nH]1 ZINC000173735876 231019084 /nfs/dbraw/zinc/01/90/84/231019084.db2.gz BYXPSENNNCMIGH-MRVPVSSYSA-N 0 0 348.837 1.590 10 0 EDAERN O=S(=O)(c1cc(F)ccc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000174000302 231095703 /nfs/dbraw/zinc/09/57/03/231095703.db2.gz SLWNNLGTWAXATE-LBPRGKRZSA-N 0 0 348.827 1.574 10 0 EDAERN CC[C@@]1(C)N[C@@H](c2ccsc2)N(CCCS(C)(=O)=O)C1=O ZINC000143510577 529540315 /nfs/dbraw/zinc/54/03/15/529540315.db2.gz JLNBKAYAJHFKAW-TZMCWYRMSA-N 0 0 330.475 1.782 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000077761313 295683363 /nfs/dbraw/zinc/68/33/63/295683363.db2.gz GOLJMPIOODTNSN-CZUORRHYSA-N 0 0 349.431 1.735 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000177173816 282213861 /nfs/dbraw/zinc/21/38/61/282213861.db2.gz LFBZCOFSXSWURU-DOTOQJQBSA-N 0 0 339.395 1.964 10 0 EDAERN Nc1ccc(=O)n(CC(=O)NCc2ccccc2Br)c1 ZINC000061091471 214655070 /nfs/dbraw/zinc/65/50/70/214655070.db2.gz VOWVVWUDYZGCGG-UHFFFAOYSA-N 0 0 336.189 1.509 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2cccc(Cl)c2)C1 ZINC000184102046 529783491 /nfs/dbraw/zinc/78/34/91/529783491.db2.gz CMRRLDUHDNFROR-HOCLYGCPSA-N 0 0 341.839 1.177 10 0 EDAERN CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000175612608 529959720 /nfs/dbraw/zinc/95/97/20/529959720.db2.gz WSULABTWYQKTFK-FUHWJXTLSA-N 0 0 347.459 1.399 10 0 EDAERN CN1CCN(C(=O)NCC(=O)NCC2CC2)[C@@H](c2ccccc2)C1 ZINC000183792087 530068583 /nfs/dbraw/zinc/06/85/83/530068583.db2.gz MGKOAUCJDBLEPZ-MRXNPFEDSA-N 0 0 330.432 1.211 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N[C@@H]1CCCOCC1 ZINC000181627544 295778851 /nfs/dbraw/zinc/77/88/51/295778851.db2.gz RONWMWWUSCZCNY-TZMCWYRMSA-N 0 0 338.429 1.773 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccs1 ZINC000246163329 539598319 /nfs/dbraw/zinc/59/83/19/539598319.db2.gz URXGDQUFHCMTCJ-SRVKXCTJSA-N 0 0 325.434 1.744 10 0 EDAERN CN1C(=O)CN(CC(=O)N2CCC[C@H](C(N)=O)C2)[C@H]1c1ccccc1 ZINC000328721930 282624571 /nfs/dbraw/zinc/62/45/71/282624571.db2.gz XEGHWUPHJAIHFR-KSSFIOAISA-N 0 0 344.415 1.233 10 0 EDAERN C[C@@H]1CN(c2ccccc2F)CCN1C[C@@H](O)CN1CCCC1=O ZINC000248975551 539694874 /nfs/dbraw/zinc/69/48/74/539694874.db2.gz DKUVKPZAKQFBFN-HUUCEWRRSA-N 0 0 335.423 1.320 10 0 EDAERN C/C=C\c1ccc(OCC(=O)N2CCCNC(=O)[C@H]2C)c(OC)c1 ZINC000588564147 539992877 /nfs/dbraw/zinc/99/28/77/539992877.db2.gz UTJGJEALDLFSFV-RYWCDNDXSA-N 0 0 332.400 1.844 10 0 EDAERN Cc1ncsc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000040218494 213281936 /nfs/dbraw/zinc/28/19/36/213281936.db2.gz VMMSMGUHDQGTSR-QMMMGPOBSA-N 0 0 325.415 1.590 10 0 EDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247204104 291013375 /nfs/dbraw/zinc/01/33/75/291013375.db2.gz UMDZEPOONHEMQN-NXEZZACHSA-N 0 0 346.371 1.437 10 0 EDAERN O=C(CN1CCN(CCO)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019369599 202005740 /nfs/dbraw/zinc/00/57/40/202005740.db2.gz SQMBZYMRDKEPRM-UHFFFAOYSA-N 0 0 332.231 1.542 10 0 EDAERN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCn2cccc2[C@H]1C ZINC000019730678 202016925 /nfs/dbraw/zinc/01/69/25/202016925.db2.gz RDTIPNCYANDGEA-LLVKDONJSA-N 0 0 349.412 1.361 10 0 EDAERN C[C@H](NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCCO1 ZINC000246679290 299225422 /nfs/dbraw/zinc/22/54/22/299225422.db2.gz ANNPWVSOZWBHRX-JQFCIGGWSA-N 0 0 336.407 1.883 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)Cc2cc[nH]n2)c2cccs2)CCO1 ZINC000176591733 540101394 /nfs/dbraw/zinc/10/13/94/540101394.db2.gz DEUQLHDSNVAVSU-OCCSQVGLSA-N 0 0 334.445 1.592 10 0 EDAERN CC[C@@H](C)Oc1cc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)ccn1 ZINC000180836005 540122833 /nfs/dbraw/zinc/12/28/33/540122833.db2.gz AYTSATRTXPEXOC-IUODEOHRSA-N 0 0 336.436 1.829 10 0 EDAERN COC[C@H](C)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000183723423 235208120 /nfs/dbraw/zinc/20/81/20/235208120.db2.gz YEFHASQTRYJBOT-CABZTGNLSA-N 0 0 343.221 1.716 10 0 EDAERN CC(C)c1ccnc(N2CCN(C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000185824340 540149196 /nfs/dbraw/zinc/14/91/96/540149196.db2.gz NALNPHMXHUPJCO-OAHLLOKOSA-N 0 0 336.480 1.898 10 0 EDAERN CCOc1cnc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000188117128 540157514 /nfs/dbraw/zinc/15/75/14/540157514.db2.gz KCYHKNQANGTAGB-CYBMUJFWSA-N 0 0 342.403 1.406 10 0 EDAERN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193495440 540182851 /nfs/dbraw/zinc/18/28/51/540182851.db2.gz APHDLIBXFFEVQQ-JFIYKMOQSA-N 0 0 345.443 1.225 10 0 EDAERN C[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)N1CCOCC1 ZINC000029959861 138097374 /nfs/dbraw/zinc/09/73/74/138097374.db2.gz AIAJXKJRVYUZLP-HNNXBMFYSA-N 0 0 328.416 1.382 10 0 EDAERN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C1CC1 ZINC000032993658 138099867 /nfs/dbraw/zinc/09/98/67/138099867.db2.gz RAPSEFAPDUNJME-GFCCVEGCSA-N 0 0 337.445 1.397 10 0 EDAERN NNc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c[nH+]1 ZINC000019992860 202028938 /nfs/dbraw/zinc/02/89/38/202028938.db2.gz CZBNZDHFRVAQTC-UHFFFAOYSA-N 0 0 343.206 1.931 10 0 EDAERN CC(C)(C)C(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000020767089 202054886 /nfs/dbraw/zinc/05/48/86/202054886.db2.gz NAQUAZKJFPJZLX-UHFFFAOYSA-N 0 0 335.423 1.997 10 0 EDAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)C(C)C)cc1 ZINC000021871697 202073323 /nfs/dbraw/zinc/07/33/23/202073323.db2.gz QOAUCATXOKXWSR-GFCCVEGCSA-N 0 0 340.445 1.718 10 0 EDAERN COc1cc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)ccc1O ZINC000083698921 138269439 /nfs/dbraw/zinc/26/94/39/138269439.db2.gz LYPHFCPZLIQZOU-LBPRGKRZSA-N 0 0 331.376 1.635 10 0 EDAERN O=C(c1cc(Cl)ccc1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856365 138269503 /nfs/dbraw/zinc/26/95/03/138269503.db2.gz BFJFKDVVGPJABR-ZDUSSCGKSA-N 0 0 328.155 1.418 10 0 EDAERN Cc1nc(C[C@@H]2CCC[N@H+](CCC[N-]C(=O)C(F)(F)F)C2)no1 ZINC000091555614 138284341 /nfs/dbraw/zinc/28/43/41/138284341.db2.gz KYJXFZSWRPDVHL-NSHDSACASA-N 0 0 334.342 1.701 10 0 EDAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785548 138285011 /nfs/dbraw/zinc/28/50/11/138285011.db2.gz DATKJVDYUVQVPA-QPUJVOFHSA-N 0 0 347.198 1.473 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000091785948 138285050 /nfs/dbraw/zinc/28/50/50/138285050.db2.gz AMFLAJVFTNCKAX-HNNXBMFYSA-N 0 0 346.358 1.731 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1ccc(Cl)cc1Br ZINC000092229427 138287149 /nfs/dbraw/zinc/28/71/49/138287149.db2.gz AMEXIDVKKZMUOX-NSHDSACASA-N 0 0 333.613 1.789 10 0 EDAERN CC[C@H](O)CN1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000118856842 138312804 /nfs/dbraw/zinc/31/28/04/138312804.db2.gz GIAMFZMNMCZCHA-HOCLYGCPSA-N 0 0 349.475 1.794 10 0 EDAERN COc1cccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000119517015 138314495 /nfs/dbraw/zinc/31/44/95/138314495.db2.gz JCWQQWAINXUNKH-UHFFFAOYSA-N 0 0 328.372 1.763 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3CCCC[C@@H]3C)CC2)nn1 ZINC000105909443 138302419 /nfs/dbraw/zinc/30/24/19/138302419.db2.gz LFCDLDKGZHOESJ-INIZCTEOSA-N 0 0 331.464 1.698 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000109843014 138306497 /nfs/dbraw/zinc/30/64/97/138306497.db2.gz JNASLVJVVIOANO-NXEZZACHSA-N 0 0 331.356 1.980 10 0 EDAERN COc1ccccc1CCNC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116312880 138311662 /nfs/dbraw/zinc/31/16/62/138311662.db2.gz LDURRLSODKKZCP-INIZCTEOSA-N 0 0 342.443 1.577 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000185887491 235777974 /nfs/dbraw/zinc/77/79/74/235777974.db2.gz RAVHNEPQUAWOOF-CQSZACIVSA-N 0 0 342.395 1.908 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCNC(=O)C(C)C ZINC000127544547 138338694 /nfs/dbraw/zinc/33/86/94/138338694.db2.gz KJCVPKFDHPRVOV-GFCCVEGCSA-N 0 0 336.440 1.137 10 0 EDAERN Cc1csc(CN2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000130496169 138341778 /nfs/dbraw/zinc/34/17/78/138341778.db2.gz YCMRGWAEMGVUNH-INIZCTEOSA-N 0 0 338.521 1.678 10 0 EDAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)n1 ZINC000130740671 138346717 /nfs/dbraw/zinc/34/67/17/138346717.db2.gz DSVJWGIVUGNHTQ-XJKSGUPXSA-N 0 0 342.399 1.803 10 0 EDAERN CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000131341822 138357576 /nfs/dbraw/zinc/35/75/76/138357576.db2.gz NCRIMGFZOJUJGB-DLBZAZTESA-N 0 0 335.492 1.872 10 0 EDAERN CNC(=O)Cn1c(CN2CCCC2)nc2sc(C)c(C)c2c1=O ZINC000031899802 202212314 /nfs/dbraw/zinc/21/23/14/202212314.db2.gz ZDCXVHZQWRWLJP-UHFFFAOYSA-N 0 0 334.445 1.417 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(O)cc3)CC2)no1 ZINC000133728897 138397531 /nfs/dbraw/zinc/39/75/31/138397531.db2.gz WUMCIPWBHOGQDW-UHFFFAOYSA-N 0 0 330.388 1.361 10 0 EDAERN O=C(NC1CN(C(=O)Nc2ccc3oc(=O)ccc3c2)C1)C1CC1 ZINC000186772503 236015042 /nfs/dbraw/zinc/01/50/42/236015042.db2.gz AVOAUMQJWYNUIA-UHFFFAOYSA-N 0 0 327.340 1.535 10 0 EDAERN Cc1nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c(=O)[nH]c1C ZINC000154409771 138515656 /nfs/dbraw/zinc/51/56/56/138515656.db2.gz AOEXBGFNXVQMAB-CHWSQXEVSA-N 0 0 331.372 1.708 10 0 EDAERN Cc1cccc2c(CCNC(=O)N3CC(NC(=O)C4CC4)C3)c[nH]c21 ZINC000187263233 236161584 /nfs/dbraw/zinc/16/15/84/236161584.db2.gz GASAMYXPELVLHB-UHFFFAOYSA-N 0 0 340.427 1.939 10 0 EDAERN COc1cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1F ZINC000187406554 236202801 /nfs/dbraw/zinc/20/28/01/236202801.db2.gz NHTNDOVADJYLTC-LLVKDONJSA-N 0 0 346.362 1.522 10 0 EDAERN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H](O)C(C)C)C2)n1 ZINC000156547554 138560216 /nfs/dbraw/zinc/56/02/16/138560216.db2.gz HNZREKWTOOCVTR-LSDHHAIUSA-N 0 0 333.432 1.974 10 0 EDAERN COCC(=O)NC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000187720728 236284269 /nfs/dbraw/zinc/28/42/69/236284269.db2.gz CFNSQHSEBDGNRA-UHFFFAOYSA-N 0 0 332.187 1.972 10 0 EDAERN C[C@H](C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCSCC1 ZINC000187761564 236294256 /nfs/dbraw/zinc/29/42/56/236294256.db2.gz CWWQIZSVFGHAGU-SNPRPXQTSA-N 0 0 340.514 1.720 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000187933319 236348505 /nfs/dbraw/zinc/34/85/05/236348505.db2.gz XEJIVZFYQLMCGC-UHFFFAOYSA-N 0 0 349.239 1.893 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000126638418 138612321 /nfs/dbraw/zinc/61/23/21/138612321.db2.gz XBWMMZBFLBLHBP-DOTOQJQBSA-N 0 0 349.479 1.704 10 0 EDAERN CC(C)Cc1ccc([C@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000032682095 202229710 /nfs/dbraw/zinc/22/97/10/202229710.db2.gz WSQFTEQVZRNRIW-AWEZNQCLSA-N 0 0 343.427 1.623 10 0 EDAERN COCC(=O)N(C)CCc1noc(COc2ccc(OC)cc2)n1 ZINC000033252741 202252705 /nfs/dbraw/zinc/25/27/05/202252705.db2.gz FCKQBEFPAPERMJ-UHFFFAOYSA-N 0 0 335.360 1.305 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)CC2 ZINC000171458423 138657118 /nfs/dbraw/zinc/65/71/18/138657118.db2.gz NZWVKHFRDUXXKS-RISCZKNCSA-N 0 0 342.403 1.228 10 0 EDAERN CCNS(=O)(=O)c1ccc(CCNC(=O)N(CC)CC)cc1 ZINC000036101222 202316082 /nfs/dbraw/zinc/31/60/82/202316082.db2.gz HSPPUKXSVZDEED-UHFFFAOYSA-N 0 0 327.450 1.579 10 0 EDAERN COCCN1[C@H](C)CN(S(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC000036124276 202316754 /nfs/dbraw/zinc/31/67/54/202316754.db2.gz SCTUBKRYCDWAHD-GASCZTMLSA-N 0 0 326.462 1.557 10 0 EDAERN O=CN1CCN(C(=O)[C@H](Cc2cccnc2)c2ccc(F)cc2)CC1 ZINC000036152052 202317331 /nfs/dbraw/zinc/31/73/31/202317331.db2.gz HUEXPIXKCXYNPJ-GOSISDBHSA-N 0 0 341.386 1.848 10 0 EDAERN CCN(C)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1 ZINC000036204254 202319149 /nfs/dbraw/zinc/31/91/49/202319149.db2.gz DARSXHIDJRUJHU-UHFFFAOYSA-N 0 0 339.417 1.548 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)CCSc2ccc(N)cc2)CCO1 ZINC000070214390 202319391 /nfs/dbraw/zinc/31/93/91/202319391.db2.gz OMMJJAVOTZVZCC-CYBMUJFWSA-N 0 0 330.475 1.802 10 0 EDAERN CN(c1ccccn1)S(=O)(=O)c1cccc(F)c1C(N)=S ZINC000070395109 202333029 /nfs/dbraw/zinc/33/30/29/202333029.db2.gz JTNMKTMSNKKXJA-UHFFFAOYSA-N 0 0 325.390 1.680 10 0 EDAERN CSC[C@H](C)CNS(=O)(=O)c1cc(C(N)=S)ccc1C ZINC000070431733 202334874 /nfs/dbraw/zinc/33/48/74/202334874.db2.gz RIDYIINKPFMLTI-SECBINFHSA-N 0 0 332.516 1.907 10 0 EDAERN Nc1ccc(S(=O)(=O)NC[C@H]2CCCOC2)cc1Br ZINC000071384538 202348587 /nfs/dbraw/zinc/34/85/87/202348587.db2.gz USWVAVGIUXUWIX-SECBINFHSA-N 0 0 349.250 1.736 10 0 EDAERN CC[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000071246738 202342199 /nfs/dbraw/zinc/34/21/99/202342199.db2.gz LBXSGWWPWMOZAH-SECBINFHSA-N 0 0 332.422 1.259 10 0 EDAERN Cc1cc(S(=O)(=O)NCCCC(N)=O)ccc1Br ZINC000037503072 202343505 /nfs/dbraw/zinc/34/35/05/202343505.db2.gz UBXFMYFWHRKVTJ-UHFFFAOYSA-N 0 0 335.223 1.301 10 0 EDAERN Cn1ccnc1CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000071275390 202344158 /nfs/dbraw/zinc/34/41/58/202344158.db2.gz YUTKXZPFVDINBS-UHFFFAOYSA-N 0 0 335.216 1.788 10 0 EDAERN Cn1ccnc1CNS(=O)(=O)c1ccc(N)c(Br)c1 ZINC000071385267 202347650 /nfs/dbraw/zinc/34/76/50/202347650.db2.gz YJAZAUCFYPEVGJ-UHFFFAOYSA-N 0 0 345.222 1.243 10 0 EDAERN Cc1cccc(OCC(=O)Nc2cc(C(=O)N(C)C)cn(C)c2=O)c1 ZINC000038492009 202402467 /nfs/dbraw/zinc/40/24/67/202402467.db2.gz ADURUHYDUNXYOG-UHFFFAOYSA-N 0 0 343.383 1.413 10 0 EDAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1cccnc1 ZINC000565011367 306372782 /nfs/dbraw/zinc/37/27/82/306372782.db2.gz UERBHLFEFJNGSQ-YJBOKZPZSA-N 0 0 336.395 1.959 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCOC1 ZINC000040332688 202435596 /nfs/dbraw/zinc/43/55/96/202435596.db2.gz JZAKQWJMEZBITI-QMMMGPOBSA-N 0 0 335.223 1.346 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)O1 ZINC000183995771 138790135 /nfs/dbraw/zinc/79/01/35/138790135.db2.gz XRRQAVNOSZOJNV-WFASDCNBSA-N 0 0 338.429 1.410 10 0 EDAERN CC(C)OC(=O)C[C@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000184128391 138791726 /nfs/dbraw/zinc/79/17/26/138791726.db2.gz PTZUBXWBGZVGHF-KGLIPLIRSA-N 0 0 349.435 1.876 10 0 EDAERN CC[C@H](C)NC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O ZINC000041265800 202479059 /nfs/dbraw/zinc/47/90/59/202479059.db2.gz FWKADVFDAIJVJH-LBPRGKRZSA-N 0 0 328.372 1.410 10 0 EDAERN CC(C)C(=O)Nc1cccc(S(=O)(=O)N2CCO[C@H](C)C2)c1 ZINC000041268969 202479585 /nfs/dbraw/zinc/47/95/85/202479585.db2.gz LTCKEFVXECUANG-GFCCVEGCSA-N 0 0 326.418 1.691 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)N(C)Cc2ccccc2C)n1 ZINC000185070645 138800753 /nfs/dbraw/zinc/80/07/53/138800753.db2.gz FHNYXXYZTDMVTF-INIZCTEOSA-N 0 0 344.415 1.718 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCn1cnc3ccccc31)CC2 ZINC000114864647 201071693 /nfs/dbraw/zinc/07/16/93/201071693.db2.gz LWCVYPMVDAQMMX-ZDUSSCGKSA-N 0 0 338.415 1.712 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1Cc3ccccc3C(=O)O1)CC2 ZINC000114870212 201071907 /nfs/dbraw/zinc/07/19/07/201071907.db2.gz UDRYNEVDUPUBQI-TZMCWYRMSA-N 0 0 340.383 1.053 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)CC2 ZINC000114864819 201072047 /nfs/dbraw/zinc/07/20/47/201072047.db2.gz YHWNYPGJLUMMPW-GFCCVEGCSA-N 0 0 329.404 1.733 10 0 EDAERN NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000113461284 201067734 /nfs/dbraw/zinc/06/77/34/201067734.db2.gz AVHKCIBZDYMBLE-ZDUSSCGKSA-N 0 0 336.344 1.337 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)NCC2CC(O)C2)c1Cl ZINC000165978073 201087107 /nfs/dbraw/zinc/08/71/07/201087107.db2.gz WCAWUVUGOCELCM-UHFFFAOYSA-N 0 0 325.217 1.625 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1F ZINC000116586708 201074871 /nfs/dbraw/zinc/07/48/71/201074871.db2.gz BXEQHFUWTYUNBP-LBPRGKRZSA-N 0 0 330.363 1.822 10 0 EDAERN O=C1NCCN1C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 ZINC000055278334 201133057 /nfs/dbraw/zinc/13/30/57/201133057.db2.gz YTVDFWFYTGPUPL-MDWZMJQESA-N 0 0 335.429 1.477 10 0 EDAERN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1COc2ccccc21 ZINC000058727123 201142995 /nfs/dbraw/zinc/14/29/95/201142995.db2.gz MDYHHRQSYHAIJG-HNNXBMFYSA-N 0 0 337.383 1.924 10 0 EDAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000058729384 201143506 /nfs/dbraw/zinc/14/35/06/201143506.db2.gz HOGUGBXMPCGZDP-AWEZNQCLSA-N 0 0 338.429 1.298 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CC(NC(=O)C2CC2)C1)C1CCCC1 ZINC000187410018 138826787 /nfs/dbraw/zinc/82/67/87/138826787.db2.gz GQLDXJRHLZEURA-INIZCTEOSA-N 0 0 337.464 1.892 10 0 EDAERN Cc1[nH]c(C(=O)N2CCCNC(=O)[C@H]2C)c(C)c1C(=O)OC(C)C ZINC000188063282 138831147 /nfs/dbraw/zinc/83/11/47/138831147.db2.gz PTRKUUYSKOEPAL-GFCCVEGCSA-N 0 0 335.404 1.547 10 0 EDAERN Cc1c(=O)[nH]c(=O)n(COCCO)c1Sc1cccc(F)c1 ZINC000006520163 201361856 /nfs/dbraw/zinc/36/18/56/201361856.db2.gz DROKKNCXSIVRJW-UHFFFAOYSA-N 0 0 326.349 1.102 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2c(C)nn(CCO)c2C)CCS1 ZINC000158386682 201364880 /nfs/dbraw/zinc/36/48/80/201364880.db2.gz XREWGRPMVNABFC-LBPRGKRZSA-N 0 0 333.479 1.008 10 0 EDAERN C[C@]1(c2ccccc2)CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000003609287 201360431 /nfs/dbraw/zinc/36/04/31/201360431.db2.gz RNJPEJHGRUWXAA-QGZVFWFLSA-N 0 0 344.392 1.555 10 0 EDAERN Nc1ccc(SCCS(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000161884039 201392273 /nfs/dbraw/zinc/39/22/73/201392273.db2.gz CRFPICIWHLHYQY-XBFCOCLRSA-N 0 0 328.459 1.600 10 0 EDAERN CCOC(=O)CS(=O)(=O)Cc1ccc(N)cc1C(F)(F)F ZINC000161882059 201392924 /nfs/dbraw/zinc/39/29/24/201392924.db2.gz KAAQIPXMYZQMER-UHFFFAOYSA-N 0 0 325.308 1.766 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3cc4ccccn4c3)CC[C@@H]21 ZINC000299739766 202545002 /nfs/dbraw/zinc/54/50/02/202545002.db2.gz ATIUJCHZNFHBAR-CVEARBPZSA-N 0 0 342.399 1.194 10 0 EDAERN CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188635107 138847174 /nfs/dbraw/zinc/84/71/74/138847174.db2.gz ZPVDPBLXZDQJBV-RWMBFGLXSA-N 0 0 332.416 1.857 10 0 EDAERN COc1ccc(N2CCN(CC(=O)Nc3ccccn3)C2=O)cc1 ZINC000049384346 202621240 /nfs/dbraw/zinc/62/12/40/202621240.db2.gz JJNPQFLAFJSIAN-UHFFFAOYSA-N 0 0 326.356 1.971 10 0 EDAERN O=C(c1ccco1)N1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 ZINC000054126546 202666638 /nfs/dbraw/zinc/66/66/38/202666638.db2.gz OZUYXFHJCCOWII-UHFFFAOYSA-N 0 0 335.747 1.220 10 0 EDAERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cccc(C(=O)N2CCCC2)n1 ZINC000188754629 138850873 /nfs/dbraw/zinc/85/08/73/138850873.db2.gz YRVSZRUEMGCBCY-DAXOMENPSA-N 0 0 329.400 1.615 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000188774575 138851541 /nfs/dbraw/zinc/85/15/41/138851541.db2.gz ZWTITIVTZHJVCH-KBRIMQKVSA-N 0 0 332.444 1.841 10 0 EDAERN C[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2Cl)C1 ZINC000165089872 201421475 /nfs/dbraw/zinc/42/14/75/201421475.db2.gz LEQKKCJZGCCOHF-MRVPVSSYSA-N 0 0 334.800 1.999 10 0 EDAERN C[C@](CO)(NS(=O)(=O)c1cnccc1Cl)c1ccccc1 ZINC000165914308 201422143 /nfs/dbraw/zinc/42/21/43/201422143.db2.gz OQMISECUMUUQGQ-CQSZACIVSA-N 0 0 326.805 1.921 10 0 EDAERN O=C(CCc1nnc(-c2ccsc2)o1)N1CC(NC(=O)C2CC2)C1 ZINC000189377157 138869820 /nfs/dbraw/zinc/86/98/20/138869820.db2.gz UMPLFGCSOSAKDU-UHFFFAOYSA-N 0 0 346.412 1.468 10 0 EDAERN O=C(NC1CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)C1)C1CC1 ZINC000189426927 138872740 /nfs/dbraw/zinc/87/27/40/138872740.db2.gz NYGWZZXUUYYAKK-JKSUJKDBSA-N 0 0 347.459 1.152 10 0 EDAERN Cc1ccc2[nH]c(=O)c(CCNC(=O)NC3CCOCC3)cc2c1 ZINC000062222375 202795382 /nfs/dbraw/zinc/79/53/82/202795382.db2.gz FFANWHMYGMGNEY-UHFFFAOYSA-N 0 0 329.400 1.857 10 0 EDAERN C[C@H](NC(=O)CCNC(=O)N1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000109944278 220004178 /nfs/dbraw/zinc/00/41/78/220004178.db2.gz BGQFGQQEWPJANI-WMLDXEAASA-N 0 0 345.443 1.828 10 0 EDAERN COc1ccc2[nH]c(=O)c(CCC(=O)NCCCNC(C)=O)cc2c1 ZINC000062509137 202799177 /nfs/dbraw/zinc/79/91/77/202799177.db2.gz UWQWMDMVDBGXBI-UHFFFAOYSA-N 0 0 345.399 1.112 10 0 EDAERN C[C@](O)(CNS(=O)(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000062506898 202799402 /nfs/dbraw/zinc/79/94/02/202799402.db2.gz KOUJKPAMZFSGCW-AWEZNQCLSA-N 0 0 332.853 1.914 10 0 EDAERN CC(=O)N(C)c1ccc(NCC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000066194681 202881351 /nfs/dbraw/zinc/88/13/51/202881351.db2.gz SEGXFCCQPRQZRM-UHFFFAOYSA-N 0 0 340.383 1.819 10 0 EDAERN COc1ccc(NC(=O)[C@@H](C)n2nc(-n3cccn3)ccc2=O)cc1 ZINC000070873709 203083179 /nfs/dbraw/zinc/08/31/79/203083179.db2.gz NVSLOMJBFIMBHL-GFCCVEGCSA-N 0 0 339.355 1.637 10 0 EDAERN COc1ccc(Br)c(C(=O)NC[C@H]2CCC(=O)N2)c1 ZINC000070990724 203085013 /nfs/dbraw/zinc/08/50/13/203085013.db2.gz OYFBWZRUCCIAGL-MRVPVSSYSA-N 0 0 327.178 1.466 10 0 EDAERN C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cnc1NN ZINC000071209941 203088157 /nfs/dbraw/zinc/08/81/57/203088157.db2.gz JEENLBLPUYPGHJ-APPZFPTMSA-N 0 0 349.254 1.597 10 0 EDAERN O=c1cc[nH]cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000071221526 203088170 /nfs/dbraw/zinc/08/81/70/203088170.db2.gz MGOSESBMAKVRQQ-UHFFFAOYSA-N 0 0 329.175 1.938 10 0 EDAERN Nc1ccc(S(=O)(=O)NC[C@H](O)C2CC2)c(Br)c1 ZINC000071299165 203091821 /nfs/dbraw/zinc/09/18/21/203091821.db2.gz ILFDXNDEUWNNKI-JTQLQIEISA-N 0 0 335.223 1.081 10 0 EDAERN Cc1nc2ccc(F)cn2c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000071459748 203096409 /nfs/dbraw/zinc/09/64/09/203096409.db2.gz JSHJIYWOCTUKOD-UHFFFAOYSA-N 0 0 348.359 1.682 10 0 EDAERN Cc1cccc(=O)n1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000071505563 203099104 /nfs/dbraw/zinc/09/91/04/203099104.db2.gz KFKUEBGVXCBZQK-UHFFFAOYSA-N 0 0 345.424 1.835 10 0 EDAERN COC(=O)CCN(C[C@@H](C)O)C(=O)c1cc2ccccc2oc1=O ZINC000071638034 203100866 /nfs/dbraw/zinc/10/08/66/203100866.db2.gz PMBOXZQVOPZJQE-LLVKDONJSA-N 0 0 333.340 1.179 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ncc(F)cc3F)CC2)n1 ZINC000192068369 138934856 /nfs/dbraw/zinc/93/48/56/138934856.db2.gz SLHBVGOIQDISFH-UHFFFAOYSA-N 0 0 349.341 1.511 10 0 EDAERN Cc1[nH]nc2ncc3c(c12)C(=O)N(c1ccc2c(c1)OCCO2)C3=O ZINC000072469300 203229052 /nfs/dbraw/zinc/22/90/52/203229052.db2.gz CUSZUZXFSDNLLD-UHFFFAOYSA-N 0 0 336.307 1.838 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1NC(=O)CCN1C(=O)CNC1=O ZINC000020010874 212093701 /nfs/dbraw/zinc/09/37/01/212093701.db2.gz KZKHAWJGSWXFLZ-UHFFFAOYSA-N 0 0 331.159 1.456 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000075509528 203316061 /nfs/dbraw/zinc/31/60/61/203316061.db2.gz RNWIMSMIPAETJM-GWCFXTLKSA-N 0 0 328.347 1.684 10 0 EDAERN CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1Cl ZINC000076098006 203339168 /nfs/dbraw/zinc/33/91/68/203339168.db2.gz JHPSHQAQMRDCCN-TVQRCGJNSA-N 0 0 337.807 1.943 10 0 EDAERN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCC[C@H]1O ZINC000077148552 203373577 /nfs/dbraw/zinc/37/35/77/203373577.db2.gz VKDISOAIJPNFLX-IUODEOHRSA-N 0 0 330.384 1.340 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000083750360 203518694 /nfs/dbraw/zinc/51/86/94/203518694.db2.gz MTKWNAYAYKVBHL-KBPBESRZSA-N 0 0 333.367 1.593 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1cccc(C(N)=O)c1 ZINC000083717933 203518862 /nfs/dbraw/zinc/51/88/62/203518862.db2.gz UTVMTEASNRPGBU-CQSZACIVSA-N 0 0 342.403 1.062 10 0 EDAERN CCN(C(=O)N[C@H](CC(C)C)CN(C)C)[C@H](C)CS(C)(=O)=O ZINC000112744160 284189567 /nfs/dbraw/zinc/18/95/67/284189567.db2.gz JDWDCKCGISSQNN-ZIAGYGMSSA-N 0 0 335.514 1.427 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000249067365 284191026 /nfs/dbraw/zinc/19/10/26/284191026.db2.gz VQBAKOQCDRGFCI-KMUNFCNLSA-N 0 0 343.383 1.803 10 0 EDAERN O=C(c1ccc(-n2ccnn2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000089769118 203590508 /nfs/dbraw/zinc/59/05/08/203590508.db2.gz QIWDZUZGZRLYRC-UHFFFAOYSA-N 0 0 349.398 1.410 10 0 EDAERN Cc1oncc1C(=O)N[C@@H]1CN(c2nncs2)C[C@@H]2CCCO[C@H]12 ZINC000096088990 203830725 /nfs/dbraw/zinc/83/07/25/203830725.db2.gz BADSHCVBOLMISS-UHTWSYAYSA-N 0 0 349.416 1.248 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1CO)C1CCN(C(=O)N2CCCC2)CC1 ZINC000150983247 203946784 /nfs/dbraw/zinc/94/67/84/203946784.db2.gz ZCQZUTLLPYSLBG-HZPDHXFCSA-N 0 0 337.464 1.582 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000102375304 204036788 /nfs/dbraw/zinc/03/67/88/204036788.db2.gz XXPMNZIBXOAVRT-LLVKDONJSA-N 0 0 335.360 1.841 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2F)C1 ZINC000102102254 204031843 /nfs/dbraw/zinc/03/18/43/204031843.db2.gz YLTINUBMTCUMQY-CYBMUJFWSA-N 0 0 349.406 1.980 10 0 EDAERN COC[C@@H](C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000103384290 204077597 /nfs/dbraw/zinc/07/75/97/204077597.db2.gz OSKAFLHQSAURPO-SNVBAGLBSA-N 0 0 343.221 1.578 10 0 EDAERN COC(=O)CN1CCN(c2ccc(NC(=O)N[C@H]3C[C@@H]3C)cc2)CC1 ZINC000103590890 204083811 /nfs/dbraw/zinc/08/38/11/204083811.db2.gz WDAWYEXNNKDJKV-BBRMVZONSA-N 0 0 346.431 1.512 10 0 EDAERN COC[C@H](C)Cn1nnnc1-c1ccc(Br)c(N)c1 ZINC000041680425 204054793 /nfs/dbraw/zinc/05/47/93/204054793.db2.gz FCQGGYBXNHPKSG-MRVPVSSYSA-N 0 0 326.198 1.967 10 0 EDAERN CS(=O)(=O)CCn1nnnc1-c1cc(N)c(Cl)c(Cl)c1 ZINC000042014359 204059388 /nfs/dbraw/zinc/05/93/88/204059388.db2.gz AFWWTDFYHCESLA-UHFFFAOYSA-N 0 0 336.204 1.274 10 0 EDAERN CCN(C)C(=O)CN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000042135392 204063513 /nfs/dbraw/zinc/06/35/13/204063513.db2.gz WXVBMVUYFJWVKU-UHFFFAOYSA-N 0 0 343.152 1.596 10 0 EDAERN C[C@@H](C(N)=S)N1CCN(c2ncccc2Br)CC1 ZINC000104059970 204095614 /nfs/dbraw/zinc/09/56/14/204095614.db2.gz PPVHQBXRIGNNPL-VIFPVBQESA-N 0 0 329.267 1.641 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnccc2C)C1 ZINC000105536856 204149692 /nfs/dbraw/zinc/14/96/92/204149692.db2.gz JIXMCZXVLSNQCS-ZDUSSCGKSA-N 0 0 332.404 1.236 10 0 EDAERN CN(c1cccnn1)C1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000105807454 204162417 /nfs/dbraw/zinc/16/24/17/204162417.db2.gz ANIDUOUVVGIUNN-UHFFFAOYSA-N 0 0 327.436 1.583 10 0 EDAERN CCCCNC(=O)[C@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820489 204165026 /nfs/dbraw/zinc/16/50/26/204165026.db2.gz NJKOSRTWLXGTRL-WMZOPIPTSA-N 0 0 333.476 1.642 10 0 EDAERN CCOc1ccnc(N2CCN(CC(=O)Nc3nccs3)CC2)n1 ZINC000105868488 204171703 /nfs/dbraw/zinc/17/17/03/204171703.db2.gz MOXOABUMDBXZIJ-UHFFFAOYSA-N 0 0 348.432 1.093 10 0 EDAERN CCN(CC)C(=O)CN1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000106381896 204190725 /nfs/dbraw/zinc/19/07/25/204190725.db2.gz UKYPSLSFCWLRIK-LJQANCHMSA-N 0 0 333.476 1.380 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)CC1 ZINC000106398119 204193391 /nfs/dbraw/zinc/19/33/91/204193391.db2.gz ZIGHTIPMAJATNP-KRWDZBQOSA-N 0 0 347.459 1.810 10 0 EDAERN CCCC(CCC)(C(N)=S)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000044840166 204309402 /nfs/dbraw/zinc/30/94/02/204309402.db2.gz SUNOCGIYLYTWRY-NSHDSACASA-N 0 0 334.507 1.505 10 0 EDAERN COC(=O)N1CCN(C(=O)c2cc(N)ccc2Br)CC1 ZINC000045624499 204329460 /nfs/dbraw/zinc/32/94/60/204329460.db2.gz MNNNTMFAPHTKHG-UHFFFAOYSA-N 0 0 342.193 1.556 10 0 EDAERN O=C(CSCc1ccccn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111081192 204335293 /nfs/dbraw/zinc/33/52/93/204335293.db2.gz YERBUYQOTMERJM-OAHLLOKOSA-N 0 0 332.429 1.439 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCC2)sc1C(=O)[O-] ZINC000048552840 204349746 /nfs/dbraw/zinc/34/97/46/204349746.db2.gz RSNMUFBCZVGPPA-JTQLQIEISA-N 0 0 332.447 1.517 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]1CO ZINC000048861749 204359175 /nfs/dbraw/zinc/35/91/75/204359175.db2.gz LWYGANARLOJNSS-MRVPVSSYSA-N 0 0 325.217 1.721 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111713573 204369797 /nfs/dbraw/zinc/36/97/97/204369797.db2.gz VKJCQJMSTMXERO-INIZCTEOSA-N 0 0 343.387 1.774 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111785661 204373065 /nfs/dbraw/zinc/37/30/65/204373065.db2.gz ZTVVPJNKGFBZIM-ZDUSSCGKSA-N 0 0 335.433 1.890 10 0 EDAERN CC(C)(C)c1csc(CNC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000112749226 204416168 /nfs/dbraw/zinc/41/61/68/204416168.db2.gz WMLUVJVKHQMFBR-SNVBAGLBSA-N 0 0 334.449 1.846 10 0 EDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)c1 ZINC000112093657 204382589 /nfs/dbraw/zinc/38/25/89/204382589.db2.gz JGADMBSGQUJKHW-OAHLLOKOSA-N 0 0 335.429 1.590 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3cccc(F)c3)CCO2)c1 ZINC000112105426 204382680 /nfs/dbraw/zinc/38/26/80/204382680.db2.gz ANEMFUFWFMMFJV-KRWDZBQOSA-N 0 0 346.406 1.984 10 0 EDAERN COc1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c(O)c1 ZINC000112117902 204384301 /nfs/dbraw/zinc/38/43/01/204384301.db2.gz ODSXKTJNFZYFHP-CQSZACIVSA-N 0 0 331.372 1.447 10 0 EDAERN Cn1c(CN2CCNC(=O)C[C@@H]2c2ccccc2)nnc1C1CC1 ZINC000195099178 139007060 /nfs/dbraw/zinc/00/70/60/139007060.db2.gz WBLHSAQVYMXLKK-OAHLLOKOSA-N 0 0 325.416 1.756 10 0 EDAERN CC(C)(C)c1csc([C@H]2CN(Cc3nc(N)nc(N)n3)CCO2)n1 ZINC000195399633 139015913 /nfs/dbraw/zinc/01/59/13/139015913.db2.gz UIFVISFMBMHVDS-SECBINFHSA-N 0 0 349.464 1.364 10 0 EDAERN CCOc1ncccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116587091 204535141 /nfs/dbraw/zinc/53/51/41/204535141.db2.gz SJHVCECGPTVJIS-GFCCVEGCSA-N 0 0 343.387 1.168 10 0 EDAERN COc1cccc(CNC(=O)CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000195521529 139020049 /nfs/dbraw/zinc/02/00/49/139020049.db2.gz ADUDCUMOOSLIOA-OAHLLOKOSA-N 0 0 347.440 1.841 10 0 EDAERN Cc1conc1NC(=O)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000119129763 204631514 /nfs/dbraw/zinc/63/15/14/204631514.db2.gz HJYJNNWUQYJJDC-NSHDSACASA-N 0 0 333.348 1.094 10 0 EDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@H]1CO ZINC000120904179 204767738 /nfs/dbraw/zinc/76/77/38/204767738.db2.gz GCIPJVWTMPYMTK-VIFPVBQESA-N 0 0 345.168 1.510 10 0 EDAERN CC(=O)NCCCNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000122040735 204844550 /nfs/dbraw/zinc/84/45/50/204844550.db2.gz BGLXMQUBVXTAFQ-WFASDCNBSA-N 0 0 341.358 1.308 10 0 EDAERN CC(C)CN(C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CC1 ZINC000123978544 204944485 /nfs/dbraw/zinc/94/44/85/204944485.db2.gz BQAZAUGFOYZOFM-LBPRGKRZSA-N 0 0 349.456 1.761 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1noc(C)n1 ZINC000124490489 204964924 /nfs/dbraw/zinc/96/49/24/204964924.db2.gz DMNDWNNEHBCOPU-NHYWBVRUSA-N 0 0 330.388 1.839 10 0 EDAERN CCOC(=O)NCCCC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000124800369 204979258 /nfs/dbraw/zinc/97/92/58/204979258.db2.gz UUBZASDHWNSDAL-CYBMUJFWSA-N 0 0 338.408 1.685 10 0 EDAERN CN(CC(=O)N1CCC(Cn2cccn2)CC1)C(=O)c1cccs1 ZINC000126268572 205047904 /nfs/dbraw/zinc/04/79/04/205047904.db2.gz QPKOMVCYYYVMAD-UHFFFAOYSA-N 0 0 346.456 1.955 10 0 EDAERN C[C@@H]1CN=C(N2CCN(C[C@H](O)COCc3ccccc3)CC2)S1 ZINC000127049041 205082502 /nfs/dbraw/zinc/08/25/02/205082502.db2.gz GHCYFNFGKYERHI-WBVHZDCISA-N 0 0 349.500 1.673 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cncc(Br)c1 ZINC000126903736 205076886 /nfs/dbraw/zinc/07/68/86/205076886.db2.gz WZENPAIHBUFXJK-SNVBAGLBSA-N 0 0 327.182 1.586 10 0 EDAERN COc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c(OC)c1 ZINC000127550845 205107429 /nfs/dbraw/zinc/10/74/29/205107429.db2.gz AHFJPLIADXVWGT-ZDUSSCGKSA-N 0 0 330.388 1.848 10 0 EDAERN O=C(c1ccc(N2CCCC2)nc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127726518 205114054 /nfs/dbraw/zinc/11/40/54/205114054.db2.gz WEHVVZAAXXROCQ-OAHLLOKOSA-N 0 0 340.431 1.826 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCCc2csc(C(C)(C)C)n2)C1 ZINC000127474952 205101295 /nfs/dbraw/zinc/10/12/95/205101295.db2.gz ZMWOUWWHDFLXHC-ZDUSSCGKSA-N 0 0 340.493 1.613 10 0 EDAERN O=C(C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccc2c(c1)CCC2 ZINC000111086277 220098984 /nfs/dbraw/zinc/09/89/84/220098984.db2.gz JXWSHXUWMKDQQD-QGZVFWFLSA-N 0 0 339.395 1.482 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000111106734 220099875 /nfs/dbraw/zinc/09/98/75/220099875.db2.gz BEBXJTJUXKLEKO-CYBMUJFWSA-N 0 0 330.432 1.345 10 0 EDAERN O=C(N[C@@H]1COc2ccccc21)N1CCC(N2CCCNC2=O)CC1 ZINC000132501508 205329533 /nfs/dbraw/zinc/32/95/33/205329533.db2.gz QQRQBKKLHJMWQM-OAHLLOKOSA-N 0 0 344.415 1.709 10 0 EDAERN O=C(Nc1ccc2c(c1)CCCC(=O)N2)N[C@H]1CCc2ncnn2C1 ZINC000131858403 205306605 /nfs/dbraw/zinc/30/66/05/205306605.db2.gz UYKJSFHSBLFPKX-ZDUSSCGKSA-N 0 0 340.387 1.689 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)[C@H](C)CC(=O)OC)CC2)n1 ZINC000132815158 205343231 /nfs/dbraw/zinc/34/32/31/205343231.db2.gz OFEHTOUUCWYDAY-VXGBXAGGSA-N 0 0 338.408 1.036 10 0 EDAERN CC(C)n1ncc(N[C@H](C)C[S@@](C)=O)c(Br)c1=O ZINC000158730368 205365194 /nfs/dbraw/zinc/36/51/94/205365194.db2.gz FPTQVYBYYNUSKW-CVJBHZAOSA-N 0 0 336.255 1.766 10 0 EDAERN CCC(=O)N1CC[C@@H](C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000133899721 205383089 /nfs/dbraw/zinc/38/30/89/205383089.db2.gz MANBALJMZYIYLR-HUUCEWRRSA-N 0 0 345.447 1.162 10 0 EDAERN CC(C)[C@@H](C)NC(=O)COc1ccc(Cl)cc1S(N)(=O)=O ZINC000147268726 205364651 /nfs/dbraw/zinc/36/46/51/205364651.db2.gz NYHNQJRCAUXEND-SECBINFHSA-N 0 0 334.825 1.527 10 0 EDAERN CCn1cc(C(=O)C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135189103 205446961 /nfs/dbraw/zinc/44/69/61/205446961.db2.gz QKMZQBNNCHGYNG-CQSZACIVSA-N 0 0 342.403 1.003 10 0 EDAERN COc1ncncc1NC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000135978237 205484600 /nfs/dbraw/zinc/48/46/00/205484600.db2.gz YRLGCCBHACDNSL-CYBMUJFWSA-N 0 0 345.407 1.638 10 0 EDAERN CNc1c(Cl)ncnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000136042968 205487802 /nfs/dbraw/zinc/48/78/02/205487802.db2.gz WFRLOHILQVJSCO-LBPRGKRZSA-N 0 0 336.827 1.890 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1nnnc1C(C)C ZINC000245411813 139072935 /nfs/dbraw/zinc/07/29/35/139072935.db2.gz YPQCTXCHQMDSRF-AGIUHOORSA-N 0 0 335.408 1.129 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)c2ccnnc2)c2cccs2)CCO1 ZINC000245683990 139082937 /nfs/dbraw/zinc/08/29/37/139082937.db2.gz SKGDYDRPZLUUNB-GXTWGEPZSA-N 0 0 332.429 1.730 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCCCOCC3CC3)CCO2)c1 ZINC000112132063 220250312 /nfs/dbraw/zinc/25/03/12/220250312.db2.gz DUCZIHBLUFYPJX-MRXNPFEDSA-N 0 0 336.436 1.419 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000155515958 206013195 /nfs/dbraw/zinc/01/31/95/206013195.db2.gz HBMLDIZVYMKMFC-RDJZCZTQSA-N 0 0 343.427 1.832 10 0 EDAERN CC(C)[C@H](O)CC(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000156389845 206075022 /nfs/dbraw/zinc/07/50/22/206075022.db2.gz MFQAWSGRYHYBPU-CXAGYDPISA-N 0 0 348.443 1.928 10 0 EDAERN Cc1nc(S(N)(=O)=O)cn1Cc1cc(Br)ccc1F ZINC000159388970 206243237 /nfs/dbraw/zinc/24/32/37/206243237.db2.gz CMVPPCBYJYHVAC-UHFFFAOYSA-N 0 0 348.197 1.789 10 0 EDAERN C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)[C@H]1CCCO1 ZINC000246043389 139093050 /nfs/dbraw/zinc/09/30/50/139093050.db2.gz SDTCUBSGUHACQR-NUEKZKHPSA-N 0 0 333.432 1.553 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000159351626 206239764 /nfs/dbraw/zinc/23/97/64/206239764.db2.gz ALRCBTKHOFJAIL-BBRMVZONSA-N 0 0 341.415 1.853 10 0 EDAERN C[C@@H]1CN([C@H](CNc2nccn(C)c2=O)c2cccs2)CCO1 ZINC000246083706 139094237 /nfs/dbraw/zinc/09/42/37/139094237.db2.gz GAWBVAURFDVMTR-CHWSQXEVSA-N 0 0 334.445 1.716 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1nnc2n1CCCC2 ZINC000246207092 139099327 /nfs/dbraw/zinc/09/93/27/139099327.db2.gz UYVPWUPKLDDKHQ-CTHBEMJXSA-N 0 0 345.447 1.932 10 0 EDAERN Cc1cc(C)c(N[C@H]2CS(=O)(=O)C[C@H]2O)c(Br)c1 ZINC000159818759 206265170 /nfs/dbraw/zinc/26/51/70/206265170.db2.gz FMIJVYUWMPJMQZ-WDEREUQCSA-N 0 0 334.235 1.636 10 0 EDAERN C[C@H]([C@H](Cc1cc(F)cc(Br)c1)NN)S(C)(=O)=O ZINC000159764019 206262841 /nfs/dbraw/zinc/26/28/41/206262841.db2.gz RBOMJUJRALRYCH-HQJQHLMTSA-N 0 0 339.230 1.396 10 0 EDAERN C[C@H](NC(=O)CN1C[C@H](C)[C@H](N2CCOCC2)C1)c1cccs1 ZINC000246438280 139108519 /nfs/dbraw/zinc/10/85/19/139108519.db2.gz LUYPZBHJTHOEFT-SOUVJXGZSA-N 0 0 337.489 1.578 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@H]1N1CCOCC1 ZINC000246456739 139109215 /nfs/dbraw/zinc/10/92/15/139109215.db2.gz JEWOWSWXBLPCRQ-TZMCWYRMSA-N 0 0 328.409 1.167 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000246606846 139114880 /nfs/dbraw/zinc/11/48/80/139114880.db2.gz AWQDHRJJFRQEKT-AGIUHOORSA-N 0 0 332.404 1.309 10 0 EDAERN C[C@H](NC(=O)N(C)C[C@@H](O)COCc1ccccc1)[C@H]1CCCO1 ZINC000246625879 139115651 /nfs/dbraw/zinc/11/56/51/139115651.db2.gz URLYJZITHSHFHJ-USXIJHARSA-N 0 0 336.432 1.773 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)C[C@H]1N1CCOCC1 ZINC000246644502 139116310 /nfs/dbraw/zinc/11/63/10/139116310.db2.gz ZSXUNKIVXYXNJR-SMDDNHRTSA-N 0 0 346.399 1.306 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](COCC)C1 ZINC000246995012 139130267 /nfs/dbraw/zinc/13/02/67/139130267.db2.gz OOYADKMCHWKBEO-HUUCEWRRSA-N 0 0 346.493 1.466 10 0 EDAERN Cc1cccc(C)c1OC[C@H](O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247038323 139132769 /nfs/dbraw/zinc/13/27/69/139132769.db2.gz DONIFHFRWGXSDM-QZTJIDSGSA-N 0 0 345.443 1.641 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)nn1 ZINC000247075865 139134420 /nfs/dbraw/zinc/13/44/20/139134420.db2.gz GSLYFYAVIWHGKZ-HOTGVXAUSA-N 0 0 345.491 1.802 10 0 EDAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1cc(F)ccc1F ZINC000102660816 206386503 /nfs/dbraw/zinc/38/65/03/206386503.db2.gz SDLNPNUZBGMFOS-SECBINFHSA-N 0 0 333.356 1.927 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cn(C)c(=O)cc1C ZINC000161801648 206370871 /nfs/dbraw/zinc/37/08/71/206370871.db2.gz XWIYBUBBLNGXNY-LLVKDONJSA-N 0 0 330.392 1.504 10 0 EDAERN CCC(CC)NC(=O)[C@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864381 206455247 /nfs/dbraw/zinc/45/52/47/206455247.db2.gz AWYZPUAODLFUIR-STQMWFEESA-N 0 0 337.468 1.750 10 0 EDAERN COc1ccc(C(=O)NCc2cc3c([nH]cnc3=O)s2)cc1OC ZINC000169851140 206566229 /nfs/dbraw/zinc/56/62/29/206566229.db2.gz QROHBOOJAZEUIB-UHFFFAOYSA-N 0 0 345.380 1.932 10 0 EDAERN COC(=O)c1ccccc1N1C[C@H](C(=O)N2CC[C@@H](OC)C2)CC1=O ZINC000170517424 206578395 /nfs/dbraw/zinc/57/83/95/206578395.db2.gz FDTYAQXLPFTSFN-CHWSQXEVSA-N 0 0 346.383 1.073 10 0 EDAERN COC(=O)[C@@H]1CCCC[C@H]1CNC(=O)Cn1c(C)cc(=O)cc1C ZINC000170582374 206579655 /nfs/dbraw/zinc/57/96/55/206579655.db2.gz OUOGZSKBYZALFE-GOEBONIOSA-N 0 0 334.416 1.561 10 0 EDAERN CCc1nccn1[C@@H]1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000247739258 139154600 /nfs/dbraw/zinc/15/46/00/139154600.db2.gz NKEOHZDNXTUFKX-CHWSQXEVSA-N 0 0 344.467 1.677 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000248649627 139170122 /nfs/dbraw/zinc/17/01/22/139170122.db2.gz VTSBKZBCEFEWTN-XYPHTWIQSA-N 0 0 338.423 1.865 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C12CCOCC2 ZINC000248624845 139168881 /nfs/dbraw/zinc/16/88/81/139168881.db2.gz CTVCUOJTKZLADZ-QLFBSQMISA-N 0 0 338.448 1.335 10 0 EDAERN Cc1cc(C)c(NC(=O)CN2CCOC[C@@H]2C(N)=O)c(Cl)c1 ZINC000092228560 218127533 /nfs/dbraw/zinc/12/75/33/218127533.db2.gz YQVRUYSGFLTYKN-GFCCVEGCSA-N 0 0 325.796 1.081 10 0 EDAERN NC(=O)[C@H]1COCCN1Cc1cc(Br)ccc1Cl ZINC000092228633 218127971 /nfs/dbraw/zinc/12/79/71/218127971.db2.gz SPACDFTTXHPXEZ-LLVKDONJSA-N 0 0 333.613 1.789 10 0 EDAERN Cc1ccc(SCCNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000171866265 206758291 /nfs/dbraw/zinc/75/82/91/206758291.db2.gz FAJLNGQMHCNCPI-ZDUSSCGKSA-N 0 0 331.445 1.993 10 0 EDAERN CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1nnnn1C(C)C ZINC000171932274 206768678 /nfs/dbraw/zinc/76/86/78/206768678.db2.gz OJQUSENHPIWQFT-HNNXBMFYSA-N 0 0 331.420 1.860 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCc3ccc(CO)c(F)c3)C2)cn1 ZINC000172182044 206798808 /nfs/dbraw/zinc/79/88/08/206798808.db2.gz MUGXHQVDIVMFRF-ZDUSSCGKSA-N 0 0 332.379 1.751 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)C[C@@H]2COc3ccccc3O2)c1 ZINC000172291810 206811138 /nfs/dbraw/zinc/81/11/38/206811138.db2.gz ZJNYURONHBEIAR-CQSZACIVSA-N 0 0 330.388 1.673 10 0 EDAERN COC(=O)c1cc(CN(C)C(=O)N[C@@H]2CCc3ncnn3C2)oc1C ZINC000172604610 206848836 /nfs/dbraw/zinc/84/88/36/206848836.db2.gz WSPVCKMAGNASNG-LLVKDONJSA-N 0 0 347.375 1.123 10 0 EDAERN CCO[C@H](CCNC(=O)N1CCN(CCOC)[C@H](C)C1)C(C)C ZINC000174318371 207011809 /nfs/dbraw/zinc/01/18/09/207011809.db2.gz VAITZSTUYATWJP-HZPDHXFCSA-N 0 0 329.485 1.800 10 0 EDAERN C[C@@H](O)c1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000174512743 207025320 /nfs/dbraw/zinc/02/53/20/207025320.db2.gz NUQBHELECNILQC-CJNGLKHVSA-N 0 0 329.404 1.878 10 0 EDAERN Cc1cccc2c(CCNC(=O)N[C@H]3CCc4ncnn4C3)c[nH]c21 ZINC000175114771 207094758 /nfs/dbraw/zinc/09/47/58/207094758.db2.gz ZSBQPMRYSPLIKE-AWEZNQCLSA-N 0 0 338.415 1.925 10 0 EDAERN CCc1nc(C2(NC(=O)CCNC(=O)c3ccco3)CCCC2)no1 ZINC000175158239 207098131 /nfs/dbraw/zinc/09/81/31/207098131.db2.gz MXZVKBXUHIBBDA-UHFFFAOYSA-N 0 0 346.387 1.931 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(CCOC)[C@H](C)C2)C12CCC2 ZINC000175667109 207148365 /nfs/dbraw/zinc/14/83/65/207148365.db2.gz NVDKXUUROHOAKE-BZUAXINKSA-N 0 0 339.480 1.696 10 0 EDAERN CN[C@@H](C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1)c1cnn(C)c1 ZINC000262355840 139272781 /nfs/dbraw/zinc/27/27/81/139272781.db2.gz GUHQXHIDMFDZOL-SMDDNHRTSA-N 0 0 340.387 1.608 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccn(C)n2)ncn1 ZINC000175831034 207164693 /nfs/dbraw/zinc/16/46/93/207164693.db2.gz HRZFAVURJMGTRV-LLVKDONJSA-N 0 0 330.396 1.042 10 0 EDAERN O=C(Nc1cccnc1N1CCOCC1)N[C@@H]1CCCn2ncnc21 ZINC000175960296 207176268 /nfs/dbraw/zinc/17/62/68/207176268.db2.gz NEIHJFXCBFRQLK-CYBMUJFWSA-N 0 0 343.391 1.166 10 0 EDAERN O=C([C@H]1CNC(=O)C1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000176169098 207197515 /nfs/dbraw/zinc/19/75/15/207197515.db2.gz IWVLAGYOANLHFC-HUUCEWRRSA-N 0 0 328.368 1.478 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CCCc2ccc(F)cc21 ZINC000176102266 207190763 /nfs/dbraw/zinc/19/07/63/207190763.db2.gz WQIIZBJBLHVKHS-ZDUSSCGKSA-N 0 0 343.362 1.348 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000176546640 207237448 /nfs/dbraw/zinc/23/74/48/207237448.db2.gz CGQICCGGBSKIEO-LLVKDONJSA-N 0 0 345.407 1.058 10 0 EDAERN Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)[nH]n1 ZINC000176605229 207241671 /nfs/dbraw/zinc/24/16/71/207241671.db2.gz NTONSHLTFFEOGG-TZMCWYRMSA-N 0 0 334.445 1.971 10 0 EDAERN Cc1[nH]ccc1C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000176623997 207245017 /nfs/dbraw/zinc/24/50/17/207245017.db2.gz OGVYZWUCLFRGCK-MRXNPFEDSA-N 0 0 343.427 1.521 10 0 EDAERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000176611611 207242822 /nfs/dbraw/zinc/24/28/22/207242822.db2.gz VKDRQGLIDIZBGH-NEPJUHHUSA-N 0 0 335.408 1.486 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(Cl)nc1Cl ZINC000176743732 207255953 /nfs/dbraw/zinc/25/59/53/207255953.db2.gz GQZVCKKXFDCJNT-SSDOTTSWSA-N 0 0 348.215 1.793 10 0 EDAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000176769729 207259302 /nfs/dbraw/zinc/25/93/02/207259302.db2.gz MZSNIQZZFHIVDC-IAQYHMDHSA-N 0 0 342.399 1.897 10 0 EDAERN O=C(c1ccc(F)c(F)c1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000177208126 207307351 /nfs/dbraw/zinc/30/73/51/207307351.db2.gz ANGPCUGUEGFIEO-JTQLQIEISA-N 0 0 325.290 1.842 10 0 EDAERN COc1c(C)ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1C ZINC000177397130 207332007 /nfs/dbraw/zinc/33/20/07/207332007.db2.gz IWGHHAARHWBQJT-OAHLLOKOSA-N 0 0 345.443 1.947 10 0 EDAERN NC(=O)[C@H](SC[C@@H](O)CO)c1ccc(Br)cc1F ZINC000177416582 207334869 /nfs/dbraw/zinc/33/48/69/207334869.db2.gz RTGRPYKNPKGXFR-OIBJUYFYSA-N 0 0 338.198 1.201 10 0 EDAERN O=C(Nc1ccccc1F)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177519467 207347580 /nfs/dbraw/zinc/34/75/80/207347580.db2.gz NCHKXVYSVFATIV-GFCCVEGCSA-N 0 0 335.360 1.821 10 0 EDAERN O=C(CSC[C@@H](O)CO)NCC1(c2ccc(F)cc2)CCCC1 ZINC000177448521 207338232 /nfs/dbraw/zinc/33/82/32/207338232.db2.gz AVCDPFFSFFTVSM-HNNXBMFYSA-N 0 0 341.448 1.840 10 0 EDAERN CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177554257 207353420 /nfs/dbraw/zinc/35/34/20/207353420.db2.gz KCDUQAVQNIAEOV-AWEZNQCLSA-N 0 0 348.428 1.725 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000177752879 207389629 /nfs/dbraw/zinc/38/96/29/207389629.db2.gz RUDKUPIRAOBMLU-CYBMUJFWSA-N 0 0 338.375 1.824 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)C(C3CC3)C3CC3)C2=O)n(C)n1 ZINC000178832600 207539632 /nfs/dbraw/zinc/53/96/32/207539632.db2.gz JBUMCRDSPAHNQU-CQSZACIVSA-N 0 0 330.432 1.776 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)nn1-c1ccc(C)cc1 ZINC000180385514 207771516 /nfs/dbraw/zinc/77/15/16/207771516.db2.gz NSKKDNFEOFCGPG-CQSZACIVSA-N 0 0 336.399 1.825 10 0 EDAERN O=C([O-])c1cnc(NCC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000263386083 139339372 /nfs/dbraw/zinc/33/93/72/139339372.db2.gz DVOUPRRYNJSADU-UHFFFAOYSA-N 0 0 334.420 1.869 10 0 EDAERN NC(=O)COc1cccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000113894780 220605806 /nfs/dbraw/zinc/60/58/06/220605806.db2.gz ZRAIOVJRPBYXBN-HNNXBMFYSA-N 0 0 328.372 1.641 10 0 EDAERN CCOCCN1CCN(C(=O)CNC(=O)c2ccccc2C)C[C@H]1C ZINC000117424501 221060833 /nfs/dbraw/zinc/06/08/33/221060833.db2.gz LTGWAEFNOXFUCR-MRXNPFEDSA-N 0 0 347.459 1.294 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H]1C ZINC000117283558 221042856 /nfs/dbraw/zinc/04/28/56/221042856.db2.gz VPXXOIPBVCYKAP-CQSZACIVSA-N 0 0 334.416 1.527 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@@H](C)OC[C@@H]2CCCCO2)CCN1CCOC ZINC000117309572 221051333 /nfs/dbraw/zinc/05/13/33/221051333.db2.gz SWSYAIIZSYJOHN-ZACQAIPSSA-N 0 0 342.480 1.530 10 0 EDAERN COCCN1CCN(C(=O)NCCCOC2CCCC2)C[C@@H]1C ZINC000117486982 221070202 /nfs/dbraw/zinc/07/02/02/221070202.db2.gz KYJKLMOQFULYEI-HNNXBMFYSA-N 0 0 327.469 1.698 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2c(C)cccc2C)CCN1CCOC ZINC000117526400 221074047 /nfs/dbraw/zinc/07/40/47/221074047.db2.gz KWKAFLOVDFFRAJ-MRXNPFEDSA-N 0 0 347.459 1.811 10 0 EDAERN Cn1ccnc1C(=O)N[C@@H]1CN(Cc2nccs2)[C@H]2CCCO[C@@H]12 ZINC000248160345 257662210 /nfs/dbraw/zinc/66/22/10/257662210.db2.gz XDYHJAHRAIOXEE-DYEKYZERSA-N 0 0 347.444 1.038 10 0 EDAERN Fc1cnc(N2C[C@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC000503716591 257831919 /nfs/dbraw/zinc/83/19/19/257831919.db2.gz IEBPOXHJYXCLLT-HRCADAONSA-N 0 0 330.363 1.964 10 0 EDAERN CCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(Nc2ccccc2)n1 ZINC000045947965 258003377 /nfs/dbraw/zinc/00/33/77/258003377.db2.gz YGQNLPMXPWOPCK-UHFFFAOYSA-N 0 0 341.415 1.989 10 0 EDAERN Cc1cc(C)cc(N2C[C@H](CNC(=O)[C@H]3CCCO3)OCC2=O)c1 ZINC000041419099 132410455 /nfs/dbraw/zinc/41/04/55/132410455.db2.gz OAHJNDKVKDKPPG-JKSUJKDBSA-N 0 0 332.400 1.330 10 0 EDAERN COc1ccc2c(c1)N(S(=O)(=O)c1c(C)n[nH]c1C)CCC2=O ZINC000062548395 132805393 /nfs/dbraw/zinc/80/53/93/132805393.db2.gz ANUBOPKREMDTGC-UHFFFAOYSA-N 0 0 335.385 1.817 10 0 EDAERN O=C(CN1c2ccccc2CCCC1=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329007118 140689936 /nfs/dbraw/zinc/68/99/36/140689936.db2.gz ZFXGFOHDJPQFPK-OAHLLOKOSA-N 0 0 341.411 1.189 10 0 EDAERN C[C@H]1CN(C(=O)c2ncccc2OCC(F)F)C[C@@]2(CCOC2)O1 ZINC000330062415 140799250 /nfs/dbraw/zinc/79/92/50/140799250.db2.gz PFROCSSKZVXRRR-MEDUHNTESA-N 0 0 342.342 1.746 10 0 EDAERN Cn1ccnc1CC1CCN(S(=O)(=O)c2cncc(F)c2)CC1 ZINC000333245304 141286862 /nfs/dbraw/zinc/28/68/62/141286862.db2.gz XDRJRWYNNIBAGT-UHFFFAOYSA-N 0 0 338.408 1.598 10 0 EDAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333326530 141300096 /nfs/dbraw/zinc/30/00/96/141300096.db2.gz LYXQMHLUZGAIKT-GJZGRUSLSA-N 0 0 345.447 1.692 10 0 EDAERN CC(C)[C@H](NC(=O)[C@@H]1CCc2cccnc21)C(=O)N1CCOCC1 ZINC000333437561 141316944 /nfs/dbraw/zinc/31/69/44/141316944.db2.gz VRTNJYDDCIGDOO-CABCVRRESA-N 0 0 331.416 1.111 10 0 EDAERN CCNC(=O)C1(CNC(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)CCC1 ZINC000333604009 141343719 /nfs/dbraw/zinc/34/37/19/141343719.db2.gz MXYMCMGVLIFOHO-KSSFIOAISA-N 0 0 337.464 1.892 10 0 EDAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@@H](n2ccnn2)C1 ZINC000333610983 141344404 /nfs/dbraw/zinc/34/44/04/141344404.db2.gz RZNVLGPQFPOXAH-TZMCWYRMSA-N 0 0 325.372 1.568 10 0 EDAERN CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000329673189 285703495 /nfs/dbraw/zinc/70/34/95/285703495.db2.gz SRKAIZKVQOSRTR-WCVJEAGWSA-N 0 0 330.432 1.861 10 0 EDAERN Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000175037977 292342162 /nfs/dbraw/zinc/34/21/62/292342162.db2.gz CRLPQUNZIMKQMY-MJBXVCDLSA-N 0 0 340.445 1.936 10 0 EDAERN CC(C)c1ccc([C@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC000056967700 287231659 /nfs/dbraw/zinc/23/16/59/287231659.db2.gz KDIGBQZQPNJDKF-ZDUSSCGKSA-N 0 0 343.431 1.981 10 0 EDAERN C[C@H](CNC(=O)NCc1ccccc1-n1cccn1)N1CCOCC1 ZINC000065510139 287240471 /nfs/dbraw/zinc/24/04/71/287240471.db2.gz JNJMIUHQLFZWCM-OAHLLOKOSA-N 0 0 343.431 1.392 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000120356458 287360509 /nfs/dbraw/zinc/36/05/09/287360509.db2.gz BXGGRABTDPSLAB-YOEHRIQHSA-N 0 0 341.411 1.916 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)c1nnc2n1CCCC2 ZINC000165553750 226127777 /nfs/dbraw/zinc/12/77/77/226127777.db2.gz MYEPUFVXGNDYOR-VIFPVBQESA-N 0 0 349.341 1.709 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000121172720 221777622 /nfs/dbraw/zinc/77/76/22/221777622.db2.gz VKNFKSOMNNLJLA-HNNXBMFYSA-N 0 0 341.367 1.650 10 0 EDAERN Cc1cc(CCNC(=O)NC[C@H](C)N2CCOCC2)cc(C)c1O ZINC000188612216 272958957 /nfs/dbraw/zinc/95/89/57/272958957.db2.gz AHHFYBKEESLBEX-HNNXBMFYSA-N 0 0 335.448 1.571 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCOc2ccccc2C(F)(F)F)C1 ZINC000190052155 272972640 /nfs/dbraw/zinc/97/26/40/272972640.db2.gz NKROQVOTLFZSPQ-UHFFFAOYSA-N 0 0 345.321 1.614 10 0 EDAERN CC(=O)NC1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000191728771 272981037 /nfs/dbraw/zinc/98/10/37/272981037.db2.gz DVUYVJUSMNOKKX-LLVKDONJSA-N 0 0 333.215 1.553 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCc1nc2c(s1)CCCC2)C(C)C ZINC000179691729 267627991 /nfs/dbraw/zinc/62/79/91/267627991.db2.gz PLZWEFOKQAHBSY-CQSZACIVSA-N 0 0 338.477 1.634 10 0 EDAERN CC(C)[C@@H](CO)NC(=O)C1CCC(C(=O)N[C@H](CO)C(C)C)CC1 ZINC000182599625 267656111 /nfs/dbraw/zinc/65/61/11/267656111.db2.gz CRBWWIICUNMKCV-QDIHITRGSA-N 0 0 342.480 1.059 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000154640390 287647583 /nfs/dbraw/zinc/64/75/83/287647583.db2.gz XEHWIACPRZQJMB-AWEZNQCLSA-N 0 0 344.419 1.428 10 0 EDAERN COc1cccc(CC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000187075887 274144720 /nfs/dbraw/zinc/14/47/20/274144720.db2.gz DQMKVTQEZPKASA-UHFFFAOYSA-N 0 0 343.431 1.101 10 0 EDAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCCc3ccccc32)O1 ZINC000246023300 287724568 /nfs/dbraw/zinc/72/45/68/287724568.db2.gz LRDYWBNTGWWIFF-PVAVHDDUSA-N 0 0 345.443 1.999 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCN1c2ccccc2C[C@@H]1C)C(C)C ZINC000246173187 287730956 /nfs/dbraw/zinc/73/09/56/287730956.db2.gz HXJORBOXHMPHOJ-XJKSGUPXSA-N 0 0 332.448 1.507 10 0 EDAERN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21 ZINC000006819327 278050555 /nfs/dbraw/zinc/05/05/55/278050555.db2.gz JKWDDYNDFFBWCZ-GFCCVEGCSA-N 0 0 338.429 1.853 10 0 EDAERN CC(C)C[C@H](CNC(=O)[C@@H]1CCc2cccnc21)N1CCOCC1 ZINC000333409843 279159355 /nfs/dbraw/zinc/15/93/55/279159355.db2.gz GYNWYWRZZNJXQM-IAGOWNOFSA-N 0 0 331.460 1.975 10 0 EDAERN O=C(N1CCCC1)[C@@]1(O)CCCN(c2cnc3c(n2)CCCC3)C1 ZINC000333622968 279805046 /nfs/dbraw/zinc/80/50/46/279805046.db2.gz ZUEVOOKLKQBLDX-GOSISDBHSA-N 0 0 330.432 1.309 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cnn3c2CCCC3)C12CCOCC2 ZINC000187126182 279864722 /nfs/dbraw/zinc/86/47/22/279864722.db2.gz YHYMRXMWYOVNEJ-JKSUJKDBSA-N 0 0 333.432 1.923 10 0 EDAERN CC(C)[C@@H]1N(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C[C@]12CCCO2 ZINC000329356025 280054026 /nfs/dbraw/zinc/05/40/26/280054026.db2.gz ZDQLCSHQDDAHJS-GRDNDAEWSA-N 0 0 341.473 1.617 10 0 EDAERN C[C@H](CNC(=O)N1CC2(CCCC2)OC(C)(C)C1)N1CCOCC1 ZINC000187779185 289643997 /nfs/dbraw/zinc/64/39/97/289643997.db2.gz DSSABQCFETWANW-OAHLLOKOSA-N 0 0 339.480 1.840 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)N2CCC[C@@H](CO)C2)[C@@H]1c1ccccc1 ZINC000246999131 289801004 /nfs/dbraw/zinc/80/10/04/289801004.db2.gz YRZRUWSVNUMCAU-HFTRVMKXSA-N 0 0 330.428 1.827 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000170823151 300538924 /nfs/dbraw/zinc/53/89/24/300538924.db2.gz AOTQCGYDFNWMOU-CMPLNLGQSA-N 0 0 340.449 1.533 10 0 EDAERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c(=O)[nH]1 ZINC000176455343 301500025 /nfs/dbraw/zinc/50/00/25/301500025.db2.gz AFAKJKDVNYGXJP-CQSZACIVSA-N 0 0 341.415 1.979 10 0 EDAERN COC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CCCCC1 ZINC000527579985 305853274 /nfs/dbraw/zinc/85/32/74/305853274.db2.gz NPKSOFVRGFZHAC-CABCVRRESA-N 0 0 348.447 1.105 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCCn1ccnc1)C(C)C ZINC000043946030 440811445 /nfs/dbraw/zinc/81/14/45/440811445.db2.gz AMLCWQGBKPMPHK-MRXNPFEDSA-N 0 0 344.415 1.463 10 0 EDAERN CC(=O)N1CCSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000006892680 441022507 /nfs/dbraw/zinc/02/25/07/441022507.db2.gz CITGATQHJZUQTO-UHFFFAOYSA-N 0 0 342.442 1.166 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCC(=O)N[C@H](C)CC)C1 ZINC000101797929 441161674 /nfs/dbraw/zinc/16/16/74/441161674.db2.gz YLTFHVFEAZUSLE-KGLIPLIRSA-N 0 0 340.468 1.382 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000081584366 441293465 /nfs/dbraw/zinc/29/34/65/441293465.db2.gz ODSMHNSXXGQPIJ-LBPRGKRZSA-N 0 0 338.362 1.989 10 0 EDAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@@H](O)c1ccccc1 ZINC000081966553 441327276 /nfs/dbraw/zinc/32/72/76/441327276.db2.gz JRAIPTIWMDULFX-MSOLQXFVSA-N 0 0 329.396 1.756 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000106403375 441341786 /nfs/dbraw/zinc/34/17/86/441341786.db2.gz DWQXGVOGCWIWEU-HNNXBMFYSA-N 0 0 346.406 1.745 10 0 EDAERN CC1CCC(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000105868996 441298824 /nfs/dbraw/zinc/29/88/24/441298824.db2.gz QMQWHIIUVABOQT-UHFFFAOYSA-N 0 0 347.507 1.623 10 0 EDAERN CCOC(=O)CCCNC(=O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105900370 441312287 /nfs/dbraw/zinc/31/22/87/441312287.db2.gz HUVXIAOANPOJCL-HNNXBMFYSA-N 0 0 336.436 1.288 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000083755050 441375258 /nfs/dbraw/zinc/37/52/58/441375258.db2.gz BLQMMDROKYOCHO-CQSZACIVSA-N 0 0 327.388 1.793 10 0 EDAERN COCC(=O)N1CC[C@@]2(C1)NCc1ccccc1NC2=NC(C)(C)C ZINC000065265988 441411213 /nfs/dbraw/zinc/41/12/13/441411213.db2.gz VYEXYMMLGRDWSR-IBGZPJMESA-N 0 0 344.459 1.825 10 0 EDAERN CN1CCCn2cc(S(=O)(=O)NCc3ccccc3)cc2C1=O ZINC000065258715 441411337 /nfs/dbraw/zinc/41/13/37/441411337.db2.gz AFFIAVOSGFGGTE-UHFFFAOYSA-N 0 0 333.413 1.442 10 0 EDAERN C[C@@H](NC(=O)COc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000027323720 441399939 /nfs/dbraw/zinc/39/99/39/441399939.db2.gz NWFYXOPZHOKSDS-GFCCVEGCSA-N 0 0 334.397 1.590 10 0 EDAERN CCC1CCC(NC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000109357051 441497616 /nfs/dbraw/zinc/49/76/16/441497616.db2.gz QSJBAMJMISINMQ-UHFFFAOYSA-N 0 0 345.509 1.974 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccn(C)n1)C(C)C ZINC000052528274 441457622 /nfs/dbraw/zinc/45/76/22/441457622.db2.gz PQTKUWKRKCOWJG-OAHLLOKOSA-N 0 0 330.388 1.822 10 0 EDAERN Cc1cc(I)ccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000110341646 441516864 /nfs/dbraw/zinc/51/68/64/441516864.db2.gz QPGFWSUMMSZDDZ-QMMMGPOBSA-N 0 0 344.152 1.674 10 0 EDAERN Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1O ZINC000089442271 441552422 /nfs/dbraw/zinc/55/24/22/441552422.db2.gz DHVZOVNOUXCMDQ-OAHLLOKOSA-N 0 0 326.400 1.818 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCc2csc(=O)[nH]2)[C@H]1c1ccc(F)cc1 ZINC000089508372 441557306 /nfs/dbraw/zinc/55/73/06/441557306.db2.gz SFRGUSOSHMGMKN-TZMCWYRMSA-N 0 0 349.387 1.411 10 0 EDAERN CCN1CCN(C(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1 ZINC000041186240 441637288 /nfs/dbraw/zinc/63/72/88/441637288.db2.gz VCZCWXYQTOZEKB-UHFFFAOYSA-N 0 0 327.428 1.933 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1cn[nH]c1)NC(=O)NCc1ccco1 ZINC000114201900 441642074 /nfs/dbraw/zinc/64/20/74/441642074.db2.gz CRXYRFWZFBNGOI-CQSZACIVSA-N 0 0 331.376 1.556 10 0 EDAERN COCC(=O)N1CCCN(Cc2cnn3c2nc(C)cc3C)CC1 ZINC000067802887 441680717 /nfs/dbraw/zinc/68/07/17/441680717.db2.gz HYVNRARQRQHGMP-UHFFFAOYSA-N 0 0 331.420 1.027 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000067863060 441688983 /nfs/dbraw/zinc/68/89/83/441688983.db2.gz FMJMADRLUOHZIC-RYUDHWBXSA-N 0 0 345.490 1.833 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000121437000 441705424 /nfs/dbraw/zinc/70/54/24/441705424.db2.gz WSRFGVWEFLLHOZ-VIFPVBQESA-N 0 0 343.305 1.170 10 0 EDAERN C[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccc(F)c(Cl)c1 ZINC000056353885 441705770 /nfs/dbraw/zinc/70/57/70/441705770.db2.gz LAVAGTVYFDVZGX-HQJQHLMTSA-N 0 0 327.743 1.645 10 0 EDAERN Cc1nc(CN2CCN(C[C@H](O)COCc3ccccc3)CC2)no1 ZINC000121447895 441707552 /nfs/dbraw/zinc/70/75/52/441707552.db2.gz CNCLXSUVEXUZDG-KRWDZBQOSA-N 0 0 346.431 1.073 10 0 EDAERN O=C(NCC1(c2cccc(Br)c2)CC1)[C@H]1CNC(=O)C1 ZINC000115102254 441711805 /nfs/dbraw/zinc/71/18/05/441711805.db2.gz SFIGTWPXBNLGLJ-SNVBAGLBSA-N 0 0 337.217 1.733 10 0 EDAERN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780677 441740951 /nfs/dbraw/zinc/74/09/51/441740951.db2.gz GOBYYEUCEDSSIW-GXFFZTMASA-N 0 0 344.333 1.597 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000091782862 441742773 /nfs/dbraw/zinc/74/27/73/441742773.db2.gz FMZAZTVNNLBCRU-CYBMUJFWSA-N 0 0 349.387 1.199 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccccc2F)ncn1 ZINC000173443586 441752280 /nfs/dbraw/zinc/75/22/80/441752280.db2.gz RVRKLXJMZLUYDT-CQSZACIVSA-N 0 0 343.406 1.985 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)OCC2CC2)ncn1 ZINC000173447129 441753798 /nfs/dbraw/zinc/75/37/98/441753798.db2.gz ZWYATYOXLYYGRK-OCCSQVGLSA-N 0 0 333.436 1.418 10 0 EDAERN COCCC(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000137195589 441755285 /nfs/dbraw/zinc/75/52/85/441755285.db2.gz VLLYKIGXVHYZSL-ZDUSSCGKSA-N 0 0 337.420 1.976 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000173475773 441763361 /nfs/dbraw/zinc/76/33/61/441763361.db2.gz FUMAPUIYTAYMSC-NEPJUHHUSA-N 0 0 343.474 1.528 10 0 EDAERN CN1C(=O)NC2(CCN(C(=O)[C@H]3C[C@@H]3C3CCCCC3)CC2)C1=O ZINC000121542744 441728809 /nfs/dbraw/zinc/72/88/09/441728809.db2.gz ODYTWNCQNWTSJT-KGLIPLIRSA-N 0 0 333.432 1.746 10 0 EDAERN Cn1cc([C@H]2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C2)cn1 ZINC000116394762 441816922 /nfs/dbraw/zinc/81/69/22/441816922.db2.gz PWZUZDANTPHRMN-BLLLJJGKSA-N 0 0 342.374 1.681 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCc3ccccn3)CC2)cn1 ZINC000115778838 441775722 /nfs/dbraw/zinc/77/57/22/441775722.db2.gz CCBBKUBCEOGGDP-UHFFFAOYSA-N 0 0 328.420 1.233 10 0 EDAERN Cc1cccnc1CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159172327 441792075 /nfs/dbraw/zinc/79/20/75/441792075.db2.gz XIJHNGZLPLMBNL-ZDUSSCGKSA-N 0 0 328.420 1.919 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)[C@]3(C)Cc4ccccc4C(=O)O3)C2)cn1 ZINC000116115979 441793868 /nfs/dbraw/zinc/79/38/68/441793868.db2.gz SMTHEHJIYJGWEL-LIRRHRJNSA-N 0 0 339.395 1.908 10 0 EDAERN Cc1ccc2ncc(C(=O)N3CC[C@@H](c4cnn(C)c4)C3)c(=O)n2c1 ZINC000116120960 441795285 /nfs/dbraw/zinc/79/52/85/441795285.db2.gz CMNZLUZBIXQHCW-CYBMUJFWSA-N 0 0 337.383 1.366 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(=O)n(-c4ccccc4)n3)C2)cn1 ZINC000116124426 441795292 /nfs/dbraw/zinc/79/52/92/441795292.db2.gz VMSYQNKMGHVLDR-CQSZACIVSA-N 0 0 349.394 1.596 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc4nccn4c3)CCO2)[nH]1 ZINC000173580714 441798593 /nfs/dbraw/zinc/79/85/93/441798593.db2.gz APBDOQFEOMVRIY-LBPRGKRZSA-N 0 0 326.360 1.229 10 0 EDAERN COC(=O)c1c(C)[nH]c(C(=O)CN2CC[C@H](c3cnn(C)c3)C2)c1C ZINC000116317017 441810138 /nfs/dbraw/zinc/81/01/38/441810138.db2.gz UFHJMTFYVHMADE-ZDUSSCGKSA-N 0 0 344.415 1.824 10 0 EDAERN COCCN1CCN(C(=O)NCCc2cc(F)cc(F)c2)C[C@H]1C ZINC000117488052 441874465 /nfs/dbraw/zinc/87/44/65/441874465.db2.gz PJNXKEXRJRSIET-CYBMUJFWSA-N 0 0 341.402 1.869 10 0 EDAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1)C(C)C ZINC000117064525 441864883 /nfs/dbraw/zinc/86/48/83/441864883.db2.gz IEJLYJDQQDYIFG-WBMJQRKESA-N 0 0 331.416 1.907 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@@H]1C ZINC000117291443 441867321 /nfs/dbraw/zinc/86/73/21/441867321.db2.gz DASIVAYGOPOOQC-JTQLQIEISA-N 0 0 347.337 1.186 10 0 EDAERN CCN1C[C@H](C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1=O ZINC000173950892 441868321 /nfs/dbraw/zinc/86/83/21/441868321.db2.gz UZTZSQOAAHZSCD-DZGCQCFKSA-N 0 0 326.400 1.918 10 0 EDAERN COCCN1CCN(C(=O)c2ccn(-c3ccccc3)n2)C[C@@H]1C ZINC000117294651 441869118 /nfs/dbraw/zinc/86/91/18/441869118.db2.gz CAGJIJHPXNOJQC-HNNXBMFYSA-N 0 0 328.416 1.665 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2)CCN1CCOC ZINC000117304251 441869234 /nfs/dbraw/zinc/86/92/34/441869234.db2.gz ZFTXQAMTXCVDSS-OAHLLOKOSA-N 0 0 336.432 1.887 10 0 EDAERN CCN1C(=S)N=NC1C1CCN(C(=O)C[C@H](O)C(C)C)CC1 ZINC000159615567 441824279 /nfs/dbraw/zinc/82/42/79/441824279.db2.gz FHXZJMLFBLFNHX-LBPRGKRZSA-N 0 0 326.466 1.700 10 0 EDAERN CCOC(=O)[C@H](CC)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000173688126 441824823 /nfs/dbraw/zinc/82/48/23/441824823.db2.gz LMBFQJRURBKMOA-AWEZNQCLSA-N 0 0 336.436 1.647 10 0 EDAERN COCCN(C)S(=O)(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173720809 441830384 /nfs/dbraw/zinc/83/03/84/441830384.db2.gz GWNFVDJYWURKRB-LBPRGKRZSA-N 0 0 333.479 1.454 10 0 EDAERN CC(C)Nc1ncccc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173980714 441873486 /nfs/dbraw/zinc/87/34/86/441873486.db2.gz ARKSIVYIULYONP-ZBFHGGJFSA-N 0 0 332.448 1.695 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@H](n2cncn2)C1 ZINC000173985048 441873533 /nfs/dbraw/zinc/87/35/33/441873533.db2.gz ZWPJYENLKXVPEW-JTQLQIEISA-N 0 0 327.797 1.352 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1CC ZINC000116770559 441842529 /nfs/dbraw/zinc/84/25/29/441842529.db2.gz NHOJKYWYWPLMOZ-OAHLLOKOSA-N 0 0 345.447 1.541 10 0 EDAERN C[C@H]1CN(C(=O)CSCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000173807217 441842861 /nfs/dbraw/zinc/84/28/61/441842861.db2.gz RDVRVLMDEWEJIB-HOCLYGCPSA-N 0 0 335.473 1.494 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3cncn3)c(C)c2)C[C@H]1C ZINC000173805427 441843343 /nfs/dbraw/zinc/84/33/43/441843343.db2.gz UJDIFDKYVCESBE-OAHLLOKOSA-N 0 0 343.431 1.368 10 0 EDAERN CCOc1ccc(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000173813842 441844597 /nfs/dbraw/zinc/84/45/97/441844597.db2.gz DMXYCHASSNWTDQ-YJBOKZPZSA-N 0 0 332.444 1.807 10 0 EDAERN CCCOc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000173844042 441848530 /nfs/dbraw/zinc/84/85/30/441848530.db2.gz KVTKVHGYHZRLOR-MRXNPFEDSA-N 0 0 348.447 1.487 10 0 EDAERN COc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000173858870 441851771 /nfs/dbraw/zinc/85/17/71/441851771.db2.gz VHQDNIIUMOFLGT-UKRRQHHQSA-N 0 0 334.416 1.497 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)C[C@H]1C ZINC000117494638 441874257 /nfs/dbraw/zinc/87/42/57/441874257.db2.gz YCHMTPUGRPPGER-CVEARBPZSA-N 0 0 347.459 1.915 10 0 EDAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000077766797 441853360 /nfs/dbraw/zinc/85/33/60/441853360.db2.gz MREMVONZQIDAQC-GFCCVEGCSA-N 0 0 342.399 1.750 10 0 EDAERN Cc1ccnc(S(=O)(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090378 441909719 /nfs/dbraw/zinc/90/97/19/441909719.db2.gz PIMXNBJSLZCMDK-GFCCVEGCSA-N 0 0 341.433 1.816 10 0 EDAERN COc1ccc(Br)cc1CNC(=O)[C@H]1CNC(=O)C1 ZINC000149015271 441922055 /nfs/dbraw/zinc/92/20/55/441922055.db2.gz MHKHIHLORGBPDP-SECBINFHSA-N 0 0 327.178 1.210 10 0 EDAERN O=S(=O)(c1ccc2ccccc2c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173998954 441876402 /nfs/dbraw/zinc/87/64/02/441876402.db2.gz DUEJSYHSSDHMJG-KRWDZBQOSA-N 0 0 346.452 1.935 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000123212589 441880916 /nfs/dbraw/zinc/88/09/16/441880916.db2.gz IWKAIWPKGMEHMX-NOLJZWGESA-N 0 0 347.390 1.069 10 0 EDAERN COC(=O)[C@H](c1ccccc1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000117880354 441881360 /nfs/dbraw/zinc/88/13/60/441881360.db2.gz RWSLOVRRJQVKJP-SFHVURJKSA-N 0 0 342.443 1.842 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2cc(F)cc(N3CCOCC3)c2)c1 ZINC000118017699 441883111 /nfs/dbraw/zinc/88/31/11/441883111.db2.gz MIJUWRDAASPNNL-UHFFFAOYSA-N 0 0 347.394 1.989 10 0 EDAERN COc1ccc(NC(C)=O)cc1NC(=O)NCCn1cc(C)cn1 ZINC000118009728 441883447 /nfs/dbraw/zinc/88/34/47/441883447.db2.gz KUBWAYDRJKOBLF-UHFFFAOYSA-N 0 0 331.376 1.980 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)N2CCOc3cc(F)ccc32)C[C@H](C)O1 ZINC000118439448 441895831 /nfs/dbraw/zinc/89/58/31/441895831.db2.gz KJBPFCFQWUYQKF-PHIMTYICSA-N 0 0 330.381 1.379 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccc(C3N=NC(=S)O3)cc2)C1 ZINC000123804788 441900209 /nfs/dbraw/zinc/90/02/09/441900209.db2.gz YJHHPXZNDXIYTE-LBPRGKRZSA-N 0 0 334.401 1.086 10 0 EDAERN Cc1noc(C)c1[C@@H](C)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118674338 441900286 /nfs/dbraw/zinc/90/02/86/441900286.db2.gz BJQWYQODWRBCMD-RISCZKNCSA-N 0 0 329.404 1.970 10 0 EDAERN C[C@@H](Nc1ccn(CCC(N)=O)n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000124953366 441969655 /nfs/dbraw/zinc/96/96/55/441969655.db2.gz NMEBLUXNESTKNX-QWHCGFSZSA-N 0 0 329.404 1.436 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000150712771 441933587 /nfs/dbraw/zinc/93/35/87/441933587.db2.gz UVAZGOKXXOLOAC-LSDHHAIUSA-N 0 0 348.447 1.281 10 0 EDAERN CC[C@H](O)CCNC(=O)C1CCC(C(=O)NCC[C@@H](O)CC)CC1 ZINC000124540813 441934808 /nfs/dbraw/zinc/93/48/08/441934808.db2.gz VIUIIRSJZYEFKK-CKUJCDMFSA-N 0 0 342.480 1.347 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000119940800 441979250 /nfs/dbraw/zinc/97/92/50/441979250.db2.gz SYIRZCXBLZSSFG-CYBMUJFWSA-N 0 0 343.383 1.452 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(CNC(C)=O)s1 ZINC000151075556 442000763 /nfs/dbraw/zinc/00/07/63/442000763.db2.gz ADHVSEUETHTBCA-LBPRGKRZSA-N 0 0 347.444 1.803 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)O1 ZINC000150950985 441980388 /nfs/dbraw/zinc/98/03/88/441980388.db2.gz XUKOLAINAAQPHX-BBRMVZONSA-N 0 0 334.391 1.607 10 0 EDAERN Cc1cccc(NC2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)c1 ZINC000119986901 441987552 /nfs/dbraw/zinc/98/75/52/441987552.db2.gz RNFBEGWCHWPTDC-GOSISDBHSA-N 0 0 346.475 1.912 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000151094601 442005070 /nfs/dbraw/zinc/00/50/70/442005070.db2.gz AIUWRJBKWXCCQT-BBRMVZONSA-N 0 0 349.479 1.979 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1 ZINC000151126649 442009805 /nfs/dbraw/zinc/00/98/05/442009805.db2.gz CBQUPDMFLNRUTC-ZDUSSCGKSA-N 0 0 348.447 1.667 10 0 EDAERN C[C@H](NC(=O)[C@H]1CNC(=O)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000151168729 442018043 /nfs/dbraw/zinc/01/80/43/442018043.db2.gz BXYKHTAMAVBPEW-JCKWVBRZSA-N 0 0 346.427 1.564 10 0 EDAERN COCCN(Cc1ccc(C)o1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000151256335 442032622 /nfs/dbraw/zinc/03/26/22/442032622.db2.gz CVQPUUFAAGEACL-AWEZNQCLSA-N 0 0 339.436 1.467 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1sccc1-n1cnnn1 ZINC000151270952 442035059 /nfs/dbraw/zinc/03/50/59/442035059.db2.gz BGOJDARFRHGYRB-VIFPVBQESA-N 0 0 344.404 1.143 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Nc2ccccc2OCC(F)F)C1 ZINC000120254070 442036859 /nfs/dbraw/zinc/03/68/59/442036859.db2.gz PBMCDUVTKPUJRP-NSHDSACASA-N 0 0 329.347 1.783 10 0 EDAERN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(=O)C2CC2)COC1 ZINC000096112510 442037212 /nfs/dbraw/zinc/03/72/12/442037212.db2.gz XFMKEILLTPNUMC-LBPRGKRZSA-N 0 0 329.356 1.420 10 0 EDAERN O=C(NCc1cccc2c1OCCCO2)N[C@@H]1CCCn2ncnc21 ZINC000151373558 442050914 /nfs/dbraw/zinc/05/09/14/442050914.db2.gz VDTZMFQERSTWDI-CYBMUJFWSA-N 0 0 343.387 1.774 10 0 EDAERN CCn1ncc2ccc(NC(=O)C(=O)N[C@H](C)[C@H]3CCCO3)cc21 ZINC000120376978 442059714 /nfs/dbraw/zinc/05/97/14/442059714.db2.gz IDLJEPBRVOCGAM-IAQYHMDHSA-N 0 0 330.388 1.678 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1C ZINC000175429531 442061192 /nfs/dbraw/zinc/06/11/92/442061192.db2.gz PXTSWURVOGMBGT-MRXNPFEDSA-N 0 0 340.427 1.921 10 0 EDAERN C[C@@H](NC(=O)N1CCC(Nc2cccnn2)CC1)C1CCOCC1 ZINC000151434289 442061621 /nfs/dbraw/zinc/06/16/21/442061621.db2.gz SROSFTMNIRYUML-CYBMUJFWSA-N 0 0 333.436 1.878 10 0 EDAERN CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000120392325 442062249 /nfs/dbraw/zinc/06/22/49/442062249.db2.gz FDNTYSLADKEMHH-LBPRGKRZSA-N 0 0 338.795 1.442 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1c(F)cccc1F ZINC000079710166 442079286 /nfs/dbraw/zinc/07/92/86/442079286.db2.gz TVJNOFKLLKRLEV-MRXNPFEDSA-N 0 0 347.365 1.903 10 0 EDAERN CCNC(=O)NC(=O)CN[C@H](C)c1ccccc1Br ZINC000120523622 442088102 /nfs/dbraw/zinc/08/81/02/442088102.db2.gz KHZNSJWMQUCSNX-SECBINFHSA-N 0 0 328.210 1.945 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3nccn3CC(C)C)CCO2)[nH]1 ZINC000175578836 442088956 /nfs/dbraw/zinc/08/89/56/442088956.db2.gz PZSXNIYWTPQPBP-ZDUSSCGKSA-N 0 0 347.423 1.249 10 0 EDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C(=O)NCCCc1ccccc1 ZINC000175721196 442111702 /nfs/dbraw/zinc/11/17/02/442111702.db2.gz SSUBRUWDIMBHBS-CQSZACIVSA-N 0 0 348.443 1.924 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000175736885 442113668 /nfs/dbraw/zinc/11/36/68/442113668.db2.gz NEQAGIQSQFTOTG-IAQYHMDHSA-N 0 0 329.404 1.974 10 0 EDAERN Cc1cc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)nc(C)n1 ZINC000175858237 442136062 /nfs/dbraw/zinc/13/60/62/442136062.db2.gz BQYBBBUBAWHAFR-BBRMVZONSA-N 0 0 347.463 1.929 10 0 EDAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175924518 442146858 /nfs/dbraw/zinc/14/68/58/442146858.db2.gz ZEXWBUCLIWVFAH-DZGCQCFKSA-N 0 0 335.452 1.670 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)C1 ZINC000120605502 442103360 /nfs/dbraw/zinc/10/33/60/442103360.db2.gz BFBONGVQJUGDBU-LSDHHAIUSA-N 0 0 348.451 1.342 10 0 EDAERN CC(C)Cc1ccc([C@H](C)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000121031423 442168057 /nfs/dbraw/zinc/16/80/57/442168057.db2.gz QVIJDTLDHVOQNW-LPHOPBHVSA-N 0 0 348.487 1.798 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1)N1CCOCC1 ZINC000152149226 442173125 /nfs/dbraw/zinc/17/31/25/442173125.db2.gz WCYIAHXUNPBUMI-SOLBZPMBSA-N 0 0 349.475 1.561 10 0 EDAERN O=C(Nc1ccc(F)nc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000163591740 442175968 /nfs/dbraw/zinc/17/59/68/442175968.db2.gz LFXXYNPVWVKQCI-UHFFFAOYSA-N 0 0 344.350 1.052 10 0 EDAERN Cc1ccccc1-c1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)n(C)n1 ZINC000121226399 442194216 /nfs/dbraw/zinc/19/42/16/442194216.db2.gz IGJXTMMLBMXFEX-CYBMUJFWSA-N 0 0 342.399 1.317 10 0 EDAERN CSC1(CNC(=O)N2CCC[C@@H](n3cncn3)C2)CCOCC1 ZINC000176001867 442160049 /nfs/dbraw/zinc/16/00/49/442160049.db2.gz TYDPYXSNSFKXFY-CYBMUJFWSA-N 0 0 339.465 1.537 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000176034738 442163876 /nfs/dbraw/zinc/16/38/76/442163876.db2.gz OKWDQPYOQGXNFV-LBPRGKRZSA-N 0 0 343.387 1.087 10 0 EDAERN O=S(=O)(NCCN1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152538820 442223589 /nfs/dbraw/zinc/22/35/89/442223589.db2.gz OIEDXHUWDLAKBJ-INIZCTEOSA-N 0 0 347.440 1.513 10 0 EDAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168885700 442225130 /nfs/dbraw/zinc/22/51/30/442225130.db2.gz DVBCFLRXOVOGLC-GXSJLCMTSA-N 0 0 338.351 1.214 10 0 EDAERN Cc1ccc([C@H](CNC(=O)Cn2cccn2)N2CCOCC2)s1 ZINC000176550953 442233429 /nfs/dbraw/zinc/23/34/29/442233429.db2.gz GDMKBSRKUHXJIV-AWEZNQCLSA-N 0 0 334.445 1.443 10 0 EDAERN O=C(COc1ccc2c(c1)CCCC2)N[C@H]1CCc2ncnn2C1 ZINC000128433340 442266559 /nfs/dbraw/zinc/26/65/59/442266559.db2.gz WOBANQSADXIOFX-HNNXBMFYSA-N 0 0 326.400 1.667 10 0 EDAERN COc1cccc(CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)n1 ZINC000128515000 442271745 /nfs/dbraw/zinc/27/17/45/442271745.db2.gz ZYLUJLHZGGKCJN-GFCCVEGCSA-N 0 0 328.372 1.917 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)s1 ZINC000176913890 442272043 /nfs/dbraw/zinc/27/20/43/442272043.db2.gz RNJQMPXVBXWWNA-SNVBAGLBSA-N 0 0 345.471 1.979 10 0 EDAERN CCS[C@H](C)c1noc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000128285999 442257602 /nfs/dbraw/zinc/25/76/02/442257602.db2.gz VXLMCEURYSDDTK-JHJVBQTASA-N 0 0 328.482 1.771 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)COc1ccc(C=O)cc1)CC2 ZINC000170761111 442259398 /nfs/dbraw/zinc/25/93/98/442259398.db2.gz SQMMYLSMSDKFGA-AWEZNQCLSA-N 0 0 342.399 1.724 10 0 EDAERN CC(C)(C)c1ccc(CCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154149056 442323995 /nfs/dbraw/zinc/32/39/95/442323995.db2.gz OQFJPPXRJIBYLM-GOSISDBHSA-N 0 0 348.487 1.726 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177297865 442325910 /nfs/dbraw/zinc/32/59/10/442325910.db2.gz HYYADCIGWZPCKW-BBRMVZONSA-N 0 0 335.452 1.013 10 0 EDAERN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177325872 442328465 /nfs/dbraw/zinc/32/84/65/442328465.db2.gz IBYXZRLCKFHGCK-KGLIPLIRSA-N 0 0 346.435 1.061 10 0 EDAERN O=C(NCCOc1ccc(F)cc1F)N[C@H]1CCCn2ncnc21 ZINC000177367581 442332495 /nfs/dbraw/zinc/33/24/95/442332495.db2.gz ISMCOWZQXNRIFR-LBPRGKRZSA-N 0 0 337.330 1.769 10 0 EDAERN O=C(CCC(=O)c1ccc(F)c(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000154466619 442341350 /nfs/dbraw/zinc/34/13/50/442341350.db2.gz VWBJTSFJKBIMJJ-LLVKDONJSA-N 0 0 334.326 1.650 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)no1 ZINC000171335169 442341666 /nfs/dbraw/zinc/34/16/66/442341666.db2.gz PKFZVKIWTMAYTO-LBPRGKRZSA-N 0 0 338.408 1.684 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000171360218 442343937 /nfs/dbraw/zinc/34/39/37/442343937.db2.gz YHTLVTNIJNMHFW-OAHLLOKOSA-N 0 0 346.431 1.959 10 0 EDAERN C[C@H]1CN(Cc2nccn2CC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177234029 442316957 /nfs/dbraw/zinc/31/69/57/442316957.db2.gz LAPWFOTVWSFUHN-STQMWFEESA-N 0 0 332.370 1.598 10 0 EDAERN CC[C@H](NC[C@H](c1ccc(C)s1)N1CCOCC1)C(=O)OC ZINC000171632736 442364685 /nfs/dbraw/zinc/36/46/85/442364685.db2.gz MMGQRSNWOIDXDL-UONOGXRCSA-N 0 0 326.462 1.971 10 0 EDAERN O=S(=O)(Cc1csc(Cc2ccccc2)n1)C[C@@H](O)CO ZINC000177671982 442368846 /nfs/dbraw/zinc/36/88/46/442368846.db2.gz RGNDIMOBYZDGAD-ZDUSSCGKSA-N 0 0 327.427 1.002 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(F)cc1 ZINC000155173697 442379902 /nfs/dbraw/zinc/37/99/02/442379902.db2.gz JJNJXLFZDGOECT-CYBMUJFWSA-N 0 0 334.351 1.594 10 0 EDAERN CCn1cc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000171792740 442381712 /nfs/dbraw/zinc/38/17/12/442381712.db2.gz FWVSXOHEEMLBFG-KRWDZBQOSA-N 0 0 343.431 1.786 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000155239402 442383595 /nfs/dbraw/zinc/38/35/95/442383595.db2.gz RWDAFKIEOAFZRD-RDTXWAMCSA-N 0 0 348.447 1.775 10 0 EDAERN COc1cccc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000171828659 442383745 /nfs/dbraw/zinc/38/37/45/442383745.db2.gz JQTGXHPDNIATDX-SFHVURJKSA-N 0 0 327.428 1.941 10 0 EDAERN CCC[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)OC(C)(C)C ZINC000155358848 442390645 /nfs/dbraw/zinc/39/06/45/442390645.db2.gz LCVNOFONQQZVQI-OAHLLOKOSA-N 0 0 348.443 1.972 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCCNC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000171986481 442396210 /nfs/dbraw/zinc/39/62/10/442396210.db2.gz IJRNBWUDAXZTKE-RDJZCZTQSA-N 0 0 343.427 1.239 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3COc4ccccc43)CC2)no1 ZINC000172021673 442400511 /nfs/dbraw/zinc/40/05/11/442400511.db2.gz UZDYNAQOMRSPCY-OAHLLOKOSA-N 0 0 342.399 1.589 10 0 EDAERN COC(=O)c1ccc(CNc2cc(N3CCC[C@H]3CO)ncn2)cc1 ZINC000171542631 442355264 /nfs/dbraw/zinc/35/52/64/442355264.db2.gz JIYIMEIYYZKZMT-HNNXBMFYSA-N 0 0 342.399 1.836 10 0 EDAERN Cc1ncc(CN2CCN(Cc3nnc(C4CC4)n3C)CC2)s1 ZINC000171556947 442356901 /nfs/dbraw/zinc/35/69/01/442356901.db2.gz PJFWAILFKKFGFV-UHFFFAOYSA-N 0 0 332.477 1.775 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3cccc(CO)c3)CCO2)[nH]1 ZINC000178084238 442406191 /nfs/dbraw/zinc/40/61/91/442406191.db2.gz QVRWWCLBUNOAPZ-CQSZACIVSA-N 0 0 345.403 1.143 10 0 EDAERN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N1CCN2CCC[C@H]2C1 ZINC000178375562 442428876 /nfs/dbraw/zinc/42/88/76/442428876.db2.gz QWAZASDWMQBRED-AWEZNQCLSA-N 0 0 335.429 1.328 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)NCc3ccncc3)CC2)n1 ZINC000172233995 442427293 /nfs/dbraw/zinc/42/72/93/442427293.db2.gz SKSZXWKTIVATRS-UHFFFAOYSA-N 0 0 342.403 1.302 10 0 EDAERN COCCN1CCN(C(=O)NCCOc2cccc(F)c2)C[C@@H]1C ZINC000172327425 442444339 /nfs/dbraw/zinc/44/43/39/442444339.db2.gz AUURRPAQQQMJAY-AWEZNQCLSA-N 0 0 339.411 1.567 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000134131182 442452604 /nfs/dbraw/zinc/45/26/04/442452604.db2.gz IDTPHGBCEVQYIY-NWDGAFQWSA-N 0 0 337.424 1.562 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3nc(C)sc3C)C2=O)n(C)n1 ZINC000178791090 442486939 /nfs/dbraw/zinc/48/69/39/442486939.db2.gz ATWCFPGSNSKRBU-LBPRGKRZSA-N 0 0 347.444 1.727 10 0 EDAERN CCOc1cc(NC2CCN(C(=O)C[C@H](O)C(C)C)CC2)ncn1 ZINC000186209807 442487079 /nfs/dbraw/zinc/48/70/79/442487079.db2.gz ZPIMPUJTSYAPDA-AWEZNQCLSA-N 0 0 336.436 1.685 10 0 EDAERN CC(C)n1nnnc1CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172558104 442489884 /nfs/dbraw/zinc/48/98/84/442489884.db2.gz PPDGIZIWFNWIRN-ZDUSSCGKSA-N 0 0 326.408 1.676 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(OC)n[nH]1 ZINC000179704200 442491998 /nfs/dbraw/zinc/49/19/98/442491998.db2.gz AWHAVTBLWZRYTN-PWSUYJOCSA-N 0 0 331.376 1.597 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(CO)c1)CC2 ZINC000172583894 442496268 /nfs/dbraw/zinc/49/62/68/442496268.db2.gz URGFYCNXYGCLHM-HNNXBMFYSA-N 0 0 343.431 1.708 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000172603115 442500496 /nfs/dbraw/zinc/50/04/96/442500496.db2.gz AMSNNLGRGDWMIU-OAHLLOKOSA-N 0 0 339.399 1.797 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)CC(C)(C)C)CC2 ZINC000172606508 442501660 /nfs/dbraw/zinc/50/16/60/442501660.db2.gz SRXUCYKKFWVAQL-CHWSQXEVSA-N 0 0 337.468 1.813 10 0 EDAERN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191740672 442502748 /nfs/dbraw/zinc/50/27/48/442502748.db2.gz PEZGSNDAZWVBCE-IIAWOOMASA-N 0 0 339.480 1.551 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc(N(C)C)nc3)CCO2)cn1 ZINC000191785561 442510724 /nfs/dbraw/zinc/51/07/24/442510724.db2.gz VPYLHRFHUKMIDD-OAHLLOKOSA-N 0 0 329.404 1.578 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172432736 442460316 /nfs/dbraw/zinc/46/03/16/442460316.db2.gz IMGNCOUWMFTCFL-CQSZACIVSA-N 0 0 328.420 1.568 10 0 EDAERN CCOCc1ccccc1CNC(=O)CN1CCC[C@]1(C)C(=O)OC ZINC000186312998 442509529 /nfs/dbraw/zinc/50/95/29/442509529.db2.gz SNMKMORFQPUNQV-LJQANCHMSA-N 0 0 348.443 1.867 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cccc(F)c2F)C1)C1CCC1 ZINC000186174472 442478852 /nfs/dbraw/zinc/47/88/52/442478852.db2.gz WFTWRHFJHWBZAQ-UHFFFAOYSA-N 0 0 330.356 1.254 10 0 EDAERN O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000172765545 442537517 /nfs/dbraw/zinc/53/75/17/442537517.db2.gz HIEJXWDZFNICEB-GFCCVEGCSA-N 0 0 326.799 1.955 10 0 EDAERN O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CC[C@H](N2CCOCC2)C1 ZINC000172767172 442539025 /nfs/dbraw/zinc/53/90/25/442539025.db2.gz DJXUYZWLVMFCNT-DOTOQJQBSA-N 0 0 347.390 1.252 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1CC ZINC000180124388 442545596 /nfs/dbraw/zinc/54/55/96/442545596.db2.gz NQTDPJCJNKSFLT-OAHLLOKOSA-N 0 0 341.415 1.473 10 0 EDAERN O=C(NCc1nc(C2CC2)cs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000157063013 442546234 /nfs/dbraw/zinc/54/62/34/442546234.db2.gz AUVXGQQNHUIYMN-CYBMUJFWSA-N 0 0 336.461 1.637 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2nccc(N)n2)CC1 ZINC000191977849 442552293 /nfs/dbraw/zinc/55/22/93/442552293.db2.gz GMHPUZCHOVIJAD-UHFFFAOYSA-N 0 0 335.452 1.297 10 0 EDAERN COCCN1CCN(C(=O)c2ccnc(OCC(F)F)c2)C[C@H]1C ZINC000135096933 442554418 /nfs/dbraw/zinc/55/44/18/442554418.db2.gz IZJMEAKJEGPRFR-GFCCVEGCSA-N 0 0 343.374 1.518 10 0 EDAERN CCc1nnc(CN(C)CCN2C(=O)c3ccccc3C2=O)n1C ZINC000179029531 442554664 /nfs/dbraw/zinc/55/46/64/442554664.db2.gz ZUGZUEIKMZXPAP-UHFFFAOYSA-N 0 0 327.388 1.106 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc(NC=O)cc3)CCO2)cn1 ZINC000191789655 442511396 /nfs/dbraw/zinc/51/13/96/442511396.db2.gz MSJDDYBOGCTPQM-MRXNPFEDSA-N 0 0 328.372 1.685 10 0 EDAERN O=C(c1csc(-c2ccccn2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172743524 442531614 /nfs/dbraw/zinc/53/16/14/442531614.db2.gz DGWSCWXUSZXOEC-CYBMUJFWSA-N 0 0 344.440 1.752 10 0 EDAERN CCOC(=O)C[C@@H](NC(=O)C(=O)NCC1CC1)c1ccccc1C ZINC000191888740 442533162 /nfs/dbraw/zinc/53/31/62/442533162.db2.gz GZEWJOYQJOQQLC-OAHLLOKOSA-N 0 0 332.400 1.632 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000180266842 442569715 /nfs/dbraw/zinc/56/97/15/442569715.db2.gz WTKVKLWVTMSOCG-HNNXBMFYSA-N 0 0 345.786 1.728 10 0 EDAERN C[C@@H](NC(=O)c1ccc2c(c1)nnn2C)c1nnc2n1CCCC2 ZINC000135265370 442573773 /nfs/dbraw/zinc/57/37/73/442573773.db2.gz QHWDYWLUURHINX-SNVBAGLBSA-N 0 0 325.376 1.387 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cnn(C(C)C)c3C)CCO2)[nH]1 ZINC000180322993 442581311 /nfs/dbraw/zinc/58/13/11/442581311.db2.gz CMQKVTIOFKDZIJ-ZDUSSCGKSA-N 0 0 332.408 1.667 10 0 EDAERN CC[C@@H](C)Oc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)ccn1 ZINC000180377882 442589373 /nfs/dbraw/zinc/58/93/73/442589373.db2.gz LEHPTLLZCATHJI-ZBFHGGJFSA-N 0 0 344.415 1.997 10 0 EDAERN CCc1cc2oc(=O)cc(CN3C[C@H](O)C[C@@H]3CO)c2cc1Cl ZINC000179185309 442592783 /nfs/dbraw/zinc/59/27/83/442592783.db2.gz VBAFCGUXNFIOHV-CHWSQXEVSA-N 0 0 337.803 1.936 10 0 EDAERN CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000180401080 442595828 /nfs/dbraw/zinc/59/58/28/442595828.db2.gz IRGPAZFNXHMIEW-CYBMUJFWSA-N 0 0 348.428 1.983 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCC2(C)OCCO2)[C@H]1c1ccc(F)cc1 ZINC000179210896 442597836 /nfs/dbraw/zinc/59/78/36/442597836.db2.gz DTUJGIXGTIUILM-DZGCQCFKSA-N 0 0 336.363 1.224 10 0 EDAERN CC1(CNC(=O)N[C@H]2CCc3ncnn3C2)Cc2ccccc2C1 ZINC000180458473 442605924 /nfs/dbraw/zinc/60/59/24/442605924.db2.gz CCTNFROTMPWGET-HNNXBMFYSA-N 0 0 325.416 1.697 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180226463 442561579 /nfs/dbraw/zinc/56/15/79/442561579.db2.gz DLASJIAEZLFIDP-CQSZACIVSA-N 0 0 343.387 1.214 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(C)c(C)c3)CCO2)[nH]1 ZINC000180225431 442561761 /nfs/dbraw/zinc/56/17/61/442561761.db2.gz CJDYSZPKZYBWEL-CQSZACIVSA-N 0 0 343.387 1.269 10 0 EDAERN CCOc1cc(C)ccc1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000157224679 442563188 /nfs/dbraw/zinc/56/31/88/442563188.db2.gz DPRBEAVRMBKEOU-OAHLLOKOSA-N 0 0 335.448 1.914 10 0 EDAERN C[S@](=O)CCCNC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000173270088 442637640 /nfs/dbraw/zinc/63/76/40/442637640.db2.gz LAWLCWDBJPQKNH-IBILFNBTSA-N 0 0 332.466 1.565 10 0 EDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cncc(Cl)n3)CCO2)n1 ZINC000192348957 442638325 /nfs/dbraw/zinc/63/83/25/442638325.db2.gz JLEVVGSHRLRRQW-GFCCVEGCSA-N 0 0 335.795 1.485 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cncc(Cl)n3)CC2)n1 ZINC000192348941 442638557 /nfs/dbraw/zinc/63/85/57/442638557.db2.gz JGUYLJWLVDMHFO-SECBINFHSA-N 0 0 336.783 1.340 10 0 EDAERN C[C@](O)(CCNC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000187025928 442647089 /nfs/dbraw/zinc/64/70/89/442647089.db2.gz OXCFLXHEWNHDDU-YOEHRIQHSA-N 0 0 329.404 1.710 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(F)ccc1OC)CC2 ZINC000187114691 442653736 /nfs/dbraw/zinc/65/37/36/442653736.db2.gz DLGNWYIQFBSHFG-CYBMUJFWSA-N 0 0 347.394 1.802 10 0 EDAERN C[C@H]1C[C@H](C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC(C)(C)C1 ZINC000180535777 442618352 /nfs/dbraw/zinc/61/83/52/442618352.db2.gz LEYBFLSMICWOBF-MELADBBJSA-N 0 0 330.494 1.989 10 0 EDAERN CCn1c(C)nnc1CN[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000181019877 442675166 /nfs/dbraw/zinc/67/51/66/442675166.db2.gz FQNJFCABAQINRZ-LLVKDONJSA-N 0 0 337.449 1.365 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181362557 442692476 /nfs/dbraw/zinc/69/24/76/442692476.db2.gz XWJXCMGXDDJZFK-CYBMUJFWSA-N 0 0 345.403 1.044 10 0 EDAERN COC(=O)C1(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000187979657 442701900 /nfs/dbraw/zinc/70/19/00/442701900.db2.gz BPUVNHNDCGOSEK-GOEBONIOSA-N 0 0 344.411 1.666 10 0 EDAERN CCCc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188016299 442703068 /nfs/dbraw/zinc/70/30/68/442703068.db2.gz KNJCOTYEZIEBDL-UHFFFAOYSA-N 0 0 343.427 1.705 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccccc2SC)C[C@H]1C ZINC000187239893 442662830 /nfs/dbraw/zinc/66/28/30/442662830.db2.gz PZYJPPFPEGRUIM-CYBMUJFWSA-N 0 0 344.502 1.750 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](CCO)c1ccco1)CC2 ZINC000187311278 442669064 /nfs/dbraw/zinc/66/90/64/442669064.db2.gz SSRYIOGOMAKYHX-CHWSQXEVSA-N 0 0 347.419 1.732 10 0 EDAERN OC[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@H]1c1ccsc1 ZINC000188165168 442719285 /nfs/dbraw/zinc/71/92/85/442719285.db2.gz VTCCUFLBTVHKPG-HOCLYGCPSA-N 0 0 341.440 1.932 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000193186142 442720841 /nfs/dbraw/zinc/72/08/41/442720841.db2.gz QMRICMSBLWHQJD-TZMCWYRMSA-N 0 0 328.771 1.419 10 0 EDAERN CC[C@H]1CN(C(=O)NCc2ccc(C)cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000181975010 442724371 /nfs/dbraw/zinc/72/43/71/442724371.db2.gz AYQOQIVCHGCDOY-WBVHZDCISA-N 0 0 349.475 1.990 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000193229155 442724441 /nfs/dbraw/zinc/72/44/41/442724441.db2.gz KUMLIMIUCDJBEE-UHFFFAOYSA-N 0 0 329.466 1.050 10 0 EDAERN COC(=O)c1cc(NC(=O)[C@H]2CNC(=O)C2)ccc1Br ZINC000181995175 442726433 /nfs/dbraw/zinc/72/64/33/442726433.db2.gz POKSKSLTJOSXLN-SSDOTTSWSA-N 0 0 341.161 1.310 10 0 EDAERN CC[C@@H](NC(=O)N1CC(NC(=O)COC)C1)c1cccc(Cl)c1 ZINC000188342780 442741403 /nfs/dbraw/zinc/74/14/03/442741403.db2.gz DUZHJWCWTJLGOC-CQSZACIVSA-N 0 0 339.823 1.948 10 0 EDAERN Cc1cc(N2CCC[C@H](N[C@H](C)c3nccnc3C)C2=O)n(C)n1 ZINC000188350079 442741953 /nfs/dbraw/zinc/74/19/53/442741953.db2.gz ZYPSYIMVXXTTAJ-KGLIPLIRSA-N 0 0 328.420 1.673 10 0 EDAERN CCc1ccc(C(=O)N[C@@H]2CCCn3nc(COC)nc32)c(O)c1 ZINC000188367515 442743750 /nfs/dbraw/zinc/74/37/50/442743750.db2.gz OGDQQOGCVLCBEJ-CYBMUJFWSA-N 0 0 330.388 1.957 10 0 EDAERN Cc1cnccc1CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188428204 442749198 /nfs/dbraw/zinc/74/91/98/442749198.db2.gz GUWGFLYIGPMJKR-LJQANCHMSA-N 0 0 339.439 1.810 10 0 EDAERN O=C(NC1CN(C(=O)c2csc(-c3ccccn3)n2)C1)C1CCC1 ZINC000188486807 442755615 /nfs/dbraw/zinc/75/56/15/442755615.db2.gz XWJKUDRCAOPWAX-UHFFFAOYSA-N 0 0 342.424 1.946 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1cccc(F)c1)CC2 ZINC000181728965 442713546 /nfs/dbraw/zinc/71/35/46/442713546.db2.gz NKVHKWLDNSJDKB-LBPRGKRZSA-N 0 0 338.408 1.834 10 0 EDAERN Cc1c(NC(=O)C(=O)N2CCCC[C@H]2c2nccs2)cnn1C ZINC000188120986 442713874 /nfs/dbraw/zinc/71/38/74/442713874.db2.gz JYIBWOQMESQDBA-LBPRGKRZSA-N 0 0 333.417 1.877 10 0 EDAERN CCOC(=O)[C@H](NC(=O)C1CN(C(C)=O)C1)c1ccc(Cl)cc1 ZINC000193865029 442801704 /nfs/dbraw/zinc/80/17/04/442801704.db2.gz ZFAXPLHFWVZCPM-CQSZACIVSA-N 0 0 338.791 1.539 10 0 EDAERN COCCN1CCN(C(=O)c2ccoc2Br)C[C@@H]1C ZINC000193594789 442757591 /nfs/dbraw/zinc/75/75/91/442757591.db2.gz BNKPXXKFRRKMGA-JTQLQIEISA-N 0 0 331.210 1.835 10 0 EDAERN O=C(NC1CN(C(=O)c2cnc(-c3ccccn3)s2)C1)C1CCC1 ZINC000188508815 442758059 /nfs/dbraw/zinc/75/80/59/442758059.db2.gz DPRUUQIRUSQTAE-UHFFFAOYSA-N 0 0 342.424 1.946 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000188553036 442762458 /nfs/dbraw/zinc/76/24/58/442762458.db2.gz DWITYURAZNMEPI-KCPJHIHWSA-N 0 0 330.384 1.934 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C)C(=O)[C@H]1C)C(C)C ZINC000188577961 442765305 /nfs/dbraw/zinc/76/53/05/442765305.db2.gz VOKPMEPZKUEYDX-ZBFHGGJFSA-N 0 0 345.443 1.439 10 0 EDAERN C[C@@](O)(CC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000182425552 442766268 /nfs/dbraw/zinc/76/62/68/442766268.db2.gz XRDYPGMQMXCVJZ-FUHWJXTLSA-N 0 0 329.400 1.408 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)nc1F ZINC000193705464 442770021 /nfs/dbraw/zinc/77/00/21/442770021.db2.gz GYQGZTWQBMIHKT-SNVBAGLBSA-N 0 0 333.360 1.503 10 0 EDAERN CSc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246318027 442772181 /nfs/dbraw/zinc/77/21/81/442772181.db2.gz XYXSUYGGZXBHOZ-STQMWFEESA-N 0 0 344.502 1.484 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000188634179 442775413 /nfs/dbraw/zinc/77/54/13/442775413.db2.gz CCFULZDNDMZQIA-GAJTVXKRSA-N 0 0 342.342 1.447 10 0 EDAERN CC[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCN1C[C@@H](C)O ZINC000188659697 442782993 /nfs/dbraw/zinc/78/29/93/442782993.db2.gz QDMJOWKLZOSAML-ZIAGYGMSSA-N 0 0 334.464 1.596 10 0 EDAERN CC(=O)OC(C)(C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000188871969 442832636 /nfs/dbraw/zinc/83/26/36/442832636.db2.gz JCIIRHABYRXXTF-UHFFFAOYSA-N 0 0 336.436 1.023 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188877095 442833338 /nfs/dbraw/zinc/83/33/38/442833338.db2.gz UPVMKRWGGBLOAT-CQSZACIVSA-N 0 0 345.443 1.902 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C[C@@H]1C ZINC000246781841 442812928 /nfs/dbraw/zinc/81/29/28/442812928.db2.gz PYLWBSGIRXMSLM-KBPBESRZSA-N 0 0 330.428 1.272 10 0 EDAERN CC[C@@H]1CN(C(=O)CSC[C@H]2CCCCO2)CCN1C[C@@H](C)O ZINC000246993894 442826743 /nfs/dbraw/zinc/82/67/43/442826743.db2.gz VIBLPWCWNNDKAX-BZUAXINKSA-N 0 0 344.521 1.592 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000188861205 442829574 /nfs/dbraw/zinc/82/95/74/442829574.db2.gz MOHITOSJPUIJQT-VIFPVBQESA-N 0 0 343.196 1.868 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000188890210 442836167 /nfs/dbraw/zinc/83/61/67/442836167.db2.gz GHPZQWCDKACHHF-QMMMGPOBSA-N 0 0 329.169 1.939 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)cc1 ZINC000247144213 442838152 /nfs/dbraw/zinc/83/81/52/442838152.db2.gz TWTBHXDOWLWZFK-YOEHRIQHSA-N 0 0 347.459 1.491 10 0 EDAERN Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)cnn1Cc1ccccc1 ZINC000188904351 442839528 /nfs/dbraw/zinc/83/95/28/442839528.db2.gz RNUKFNQKZTXRPO-AWEZNQCLSA-N 0 0 326.400 1.590 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000194128822 442848805 /nfs/dbraw/zinc/84/88/05/442848805.db2.gz ILCSSEYFCGQMPB-SECBINFHSA-N 0 0 337.330 1.790 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000189023039 442862737 /nfs/dbraw/zinc/86/27/37/442862737.db2.gz MAHVJQKAWCXFCJ-RCCFBDPRSA-N 0 0 345.443 1.096 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3nc(-c4ccccc4F)no3)CCO2)[nH]1 ZINC000189052490 442867191 /nfs/dbraw/zinc/86/71/91/442867191.db2.gz GEDUSZOKWKXKDO-ZDUSSCGKSA-N 0 0 344.350 1.876 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)C(=O)c3ccccc3)CC2)n1 ZINC000194299628 442874097 /nfs/dbraw/zinc/87/40/97/442874097.db2.gz QEBHKHDAYSBHFT-CYBMUJFWSA-N 0 0 342.399 1.720 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000189099458 442877024 /nfs/dbraw/zinc/87/70/24/442877024.db2.gz CTUBCOYPYVNTPL-UKRRQHHQSA-N 0 0 336.363 1.535 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N(CCO)CC(F)F)C1 ZINC000194374317 442885693 /nfs/dbraw/zinc/88/56/93/442885693.db2.gz CELYXFDFRQVEPY-GHMZBOCLSA-N 0 0 336.379 1.766 10 0 EDAERN C[C@H](C[S@](C)=O)NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000248456210 442894716 /nfs/dbraw/zinc/89/47/16/442894716.db2.gz NEKYSIPAPLJQLY-CMUWAASVSA-N 0 0 346.493 1.953 10 0 EDAERN Cc1cc(S(=O)(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c(C)o1 ZINC000183251503 442910919 /nfs/dbraw/zinc/91/09/19/442910919.db2.gz HYJCHZIQOXLWFE-NSHDSACASA-N 0 0 326.378 1.085 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NCc2ccc(F)cc2)C1 ZINC000189322796 442921391 /nfs/dbraw/zinc/92/13/91/442921391.db2.gz ZACZCYAGSKRJRV-LSDHHAIUSA-N 0 0 348.378 1.595 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000194610223 442922903 /nfs/dbraw/zinc/92/29/03/442922903.db2.gz PWIYXWOCRPSZKV-JTQLQIEISA-N 0 0 333.310 1.083 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000194611406 442923540 /nfs/dbraw/zinc/92/35/40/442923540.db2.gz ZLWGUDFRGVMRAC-CYBMUJFWSA-N 0 0 334.807 1.791 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](OC)c2ccccc2)CC1 ZINC000184799687 318538434 /nfs/dbraw/zinc/53/84/34/318538434.db2.gz VNXHZRYPZWFGKB-IRXDYDNUSA-N 0 0 335.448 1.472 10 0 EDAERN C[C@H](NC(=O)N[C@H]1COc2ccccc21)C(=O)NCc1ccco1 ZINC000194682258 442936010 /nfs/dbraw/zinc/93/60/10/442936010.db2.gz STXHNHZGZBXOKX-FZMZJTMJSA-N 0 0 329.356 1.717 10 0 EDAERN O=C(NC1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1)C1CC1 ZINC000189391391 442938723 /nfs/dbraw/zinc/93/87/23/442938723.db2.gz CRALZITYTHRYKY-UHFFFAOYSA-N 0 0 346.402 1.611 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000189397294 442940849 /nfs/dbraw/zinc/94/08/49/442940849.db2.gz CCOXAWRQNVOYAI-MWLCHTKSSA-N 0 0 348.733 1.862 10 0 EDAERN O=C(Cc1csc(-c2ccccn2)n1)N1CC(NC(=O)C2CC2)C1 ZINC000189470043 442962001 /nfs/dbraw/zinc/96/20/01/442962001.db2.gz SKRPUAGXURUCSM-UHFFFAOYSA-N 0 0 342.424 1.485 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCN1C[C@H](C)O ZINC000249547700 442985184 /nfs/dbraw/zinc/98/51/84/442985184.db2.gz GTBHLFCIRMWBBR-CMPLNLGQSA-N 0 0 346.353 1.413 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000184128585 442994792 /nfs/dbraw/zinc/99/47/92/442994792.db2.gz YYLXENHWBXBRAY-GPAKFWEMSA-N 0 0 330.837 1.561 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000184311022 443011485 /nfs/dbraw/zinc/01/14/85/443011485.db2.gz YSQBMGLPLWRWQH-RDJZCZTQSA-N 0 0 347.459 1.308 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000189837949 443017959 /nfs/dbraw/zinc/01/79/59/443017959.db2.gz OORCVFBJMXUECL-INIZCTEOSA-N 0 0 330.432 1.181 10 0 EDAERN Cc1ccnn1-c1ccccc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000184536227 443035606 /nfs/dbraw/zinc/03/56/06/443035606.db2.gz RKSZNGRFQYJLKO-AWEZNQCLSA-N 0 0 329.404 1.633 10 0 EDAERN Cc1ccnn1-c1ccccc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000184536207 443036187 /nfs/dbraw/zinc/03/61/87/443036187.db2.gz RKSZNGRFQYJLKO-CQSZACIVSA-N 0 0 329.404 1.633 10 0 EDAERN CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000195280190 443004338 /nfs/dbraw/zinc/00/43/38/443004338.db2.gz TUJTWGYTKFBCQS-MRXNPFEDSA-N 0 0 348.424 1.400 10 0 EDAERN O=C(/C=C\c1cncc(O)c1)N1CCCN(c2cccnn2)CC1 ZINC000255294790 443092359 /nfs/dbraw/zinc/09/23/59/443092359.db2.gz IOHNRQUOMZEMNI-PLNGDYQASA-N 0 0 325.372 1.329 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCC(=O)OC ZINC000214862078 443054358 /nfs/dbraw/zinc/05/43/58/443054358.db2.gz IZZQTKMSMOOXQU-XJKSGUPXSA-N 0 0 334.416 1.901 10 0 EDAERN CCn1nccc1C(=O)N1C[C@@H](COC)[C@H](c2nc(C3CC3)no2)C1 ZINC000253414775 443060315 /nfs/dbraw/zinc/06/03/15/443060315.db2.gz YOFBAIGJPXLTIO-QWHCGFSZSA-N 0 0 345.403 1.666 10 0 EDAERN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@H](O)C[C@@H]1CO ZINC000184731431 443067350 /nfs/dbraw/zinc/06/73/50/443067350.db2.gz GHWBBDKYXNKDIZ-QJPTWQEYSA-N 0 0 342.823 1.412 10 0 EDAERN COc1cccc(OC)c1S(=O)(=O)NCCn1cc(C)cn1 ZINC000184752312 443071736 /nfs/dbraw/zinc/07/17/36/443071736.db2.gz QISBSYNTKVANBA-UHFFFAOYSA-N 0 0 325.390 1.187 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)[C@@H]3CCO[C@@H]3C)CCCC2)no1 ZINC000190221073 443072403 /nfs/dbraw/zinc/07/24/03/443072403.db2.gz NZDXXWUFOHMPKX-GHMZBOCLSA-N 0 0 329.422 1.498 10 0 EDAERN CC(=O)NC1CN(C(=O)COc2ccc(Br)cc2)C1 ZINC000190453409 443112056 /nfs/dbraw/zinc/11/20/56/443112056.db2.gz DDUFRZBNAZCGQV-UHFFFAOYSA-N 0 0 327.178 1.175 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ncnn2C)CC1 ZINC000190491617 443119113 /nfs/dbraw/zinc/11/91/13/443119113.db2.gz DTTZFJBNOCRXDX-AWEZNQCLSA-N 0 0 337.468 1.443 10 0 EDAERN CCC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000185034496 443121983 /nfs/dbraw/zinc/12/19/83/443121983.db2.gz UTNAAHHYZOWZRB-GOEBONIOSA-N 0 0 333.432 1.567 10 0 EDAERN O=C(CN1CCOCC1)N1CCCn2ccnc2[C@@H]1C1CCCC1 ZINC000257195498 443123541 /nfs/dbraw/zinc/12/35/41/443123541.db2.gz WFYNESHRPBSUDW-KRWDZBQOSA-N 0 0 332.448 1.679 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000185268848 443173758 /nfs/dbraw/zinc/17/37/58/443173758.db2.gz QQRNVIYSSCXCAN-MNOVXSKESA-N 0 0 342.317 1.181 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)C1 ZINC000185300097 443178961 /nfs/dbraw/zinc/17/89/61/443178961.db2.gz CZUJQVCHNIVXJW-LLVKDONJSA-N 0 0 340.807 1.389 10 0 EDAERN O=C(Nc1c(F)cccc1F)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190768927 443180522 /nfs/dbraw/zinc/18/05/22/443180522.db2.gz WKWXZCBWOJJVTP-LLVKDONJSA-N 0 0 334.326 1.791 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)NCc3ccccc3C)CCO2)cn1 ZINC000190809763 443187708 /nfs/dbraw/zinc/18/77/08/443187708.db2.gz JEBDNBFRHMARMC-GOSISDBHSA-N 0 0 342.443 1.901 10 0 EDAERN COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)s1 ZINC000190631682 443153117 /nfs/dbraw/zinc/15/31/17/443153117.db2.gz WKDPTZLYWRCSFZ-JTQLQIEISA-N 0 0 334.463 1.969 10 0 EDAERN NC(=O)c1ccnc(OC(F)(F)F)c1I ZINC000238631335 443196028 /nfs/dbraw/zinc/19/60/28/443196028.db2.gz POONQQDYUVAICH-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2cccs2)C1 ZINC000185435829 443199088 /nfs/dbraw/zinc/19/90/88/443199088.db2.gz MLVBXLIRGGIEHN-UHFFFAOYSA-N 0 0 325.434 1.182 10 0 EDAERN Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)c2cnns2)c(C)[nH]1 ZINC000242324319 443210036 /nfs/dbraw/zinc/21/00/36/443210036.db2.gz ZABKVZDPBUPJNP-AWEZNQCLSA-N 0 0 349.460 1.456 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCCc2cccnc2)C12CCOCC2 ZINC000185512584 443212237 /nfs/dbraw/zinc/21/22/37/443212237.db2.gz ZQZGYJQDQFBFBH-JKSUJKDBSA-N 0 0 333.432 1.898 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)Cc1cccc(C)c1 ZINC000191124295 443245225 /nfs/dbraw/zinc/24/52/25/443245225.db2.gz LNRGFJCBQJIOMZ-JKSUJKDBSA-N 0 0 336.432 1.785 10 0 EDAERN COc1ccc(COC[C@H](O)CN2CC(NC(=O)C3CCC3)C2)cc1 ZINC000185939884 443288403 /nfs/dbraw/zinc/28/84/03/443288403.db2.gz LQBATOHFYFLHLZ-QGZVFWFLSA-N 0 0 348.443 1.173 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2cnc([C@H]3CCCO3)s2)C[C@@H]1C ZINC000246009349 443262408 /nfs/dbraw/zinc/26/24/08/443262408.db2.gz ZGTZEGAHTKDUGE-RWMBFGLXSA-N 0 0 339.461 1.522 10 0 EDAERN Cc1nnc(CN(C)[C@@H]2CN(C(=O)c3cc(F)ccc3C)C[C@H]2O)o1 ZINC000328631517 444403209 /nfs/dbraw/zinc/40/32/09/444403209.db2.gz KNNKLEQSPXADJR-HUUCEWRRSA-N 0 0 348.378 1.143 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)n(C)n1 ZINC000328623977 444398249 /nfs/dbraw/zinc/39/82/49/444398249.db2.gz CFPVQPWJFPQYCR-CYBMUJFWSA-N 0 0 328.420 1.813 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2cc(Br)oc2C)C1 ZINC000396686630 447546584 /nfs/dbraw/zinc/54/65/84/447546584.db2.gz ZITMWGWOELSXTA-JTQLQIEISA-N 0 0 331.210 1.801 10 0 EDAERN O=S(=O)(c1cccc(F)c1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583616361 448442476 /nfs/dbraw/zinc/44/24/76/448442476.db2.gz IXVCHBOBIYSUQX-RRFJBIMHSA-N 0 0 329.393 1.376 10 0 EDAERN O=S(=O)(c1cccc(F)c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583616360 448442617 /nfs/dbraw/zinc/44/26/17/448442617.db2.gz IXVCHBOBIYSUQX-RBSFLKMASA-N 0 0 329.393 1.376 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000583616477 448443332 /nfs/dbraw/zinc/44/33/32/448443332.db2.gz ZTTXZKKQUWWPGG-XHSDSOJGSA-N 0 0 339.457 1.854 10 0 EDAERN Cc1ccc(CCC(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c(C)c1 ZINC000583617804 448445455 /nfs/dbraw/zinc/44/54/55/448445455.db2.gz TWZANWBJPPWLMU-GOSISDBHSA-N 0 0 328.416 1.864 10 0 EDAERN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1Nc1ncnc2ccc(F)cc21 ZINC000583617981 448447290 /nfs/dbraw/zinc/44/72/90/448447290.db2.gz PTVQWAIZWSKFNT-CZUORRHYSA-N 0 0 340.362 1.934 10 0 EDAERN CCc1cnccc1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583618986 448448248 /nfs/dbraw/zinc/44/82/48/448448248.db2.gz PSFBAVYCNGPMTP-GOSISDBHSA-N 0 0 343.431 1.940 10 0 EDAERN O=C(N1CC[C@@](O)(c2cn[nH]n2)C1)C1(Cc2ccccc2F)CC1 ZINC000583618832 448448257 /nfs/dbraw/zinc/44/82/57/448448257.db2.gz QBLULRBHCNHZPU-KRWDZBQOSA-N 0 0 330.363 1.387 10 0 EDAERN CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)[nH]n1 ZINC000583619182 448449519 /nfs/dbraw/zinc/44/95/19/448449519.db2.gz PGSWYZUTNIKRLB-BDJLRTHQSA-N 0 0 344.419 1.359 10 0 EDAERN COc1cccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000583619508 448449816 /nfs/dbraw/zinc/44/98/16/448449816.db2.gz XTICAOZFMFOLRL-WBVHZDCISA-N 0 0 325.368 1.792 10 0 EDAERN CN1C(=O)C[C@@H](NCc2ncnn2-c2ccccc2)[C@@H]1c1cccnc1 ZINC000583620152 448451122 /nfs/dbraw/zinc/45/11/22/448451122.db2.gz HYOMUACVDOQPFC-APWZRJJASA-N 0 0 348.410 1.724 10 0 EDAERN Cc1cccc(Br)c1C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000618996997 450368904 /nfs/dbraw/zinc/36/89/04/450368904.db2.gz IUIVNOJAXLYYNW-JTQLQIEISA-N 0 0 325.206 1.966 10 0 EDAERN COc1ccc(Br)c(C(=O)NC[C@@H]2CC(=O)N(C)C2)c1 ZINC000619012277 450379625 /nfs/dbraw/zinc/37/96/25/450379625.db2.gz MOBXHEAWVUTNFQ-VIFPVBQESA-N 0 0 341.205 1.666 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1c[nH]nc1N ZINC000616644716 450456728 /nfs/dbraw/zinc/45/67/28/450456728.db2.gz CYDZTXLPUNELBJ-GFCCVEGCSA-N 0 0 325.413 1.280 10 0 EDAERN CCOC(=O)c1ccc([C@H]2CCOCCN2S(C)(=O)=O)cc1 ZINC000616656514 450457877 /nfs/dbraw/zinc/45/78/77/450457877.db2.gz CGDLNHXZIVKORD-CQSZACIVSA-N 0 0 327.402 1.586 10 0 EDAERN CCOC(=O)c1ccc([C@@H]2COCCCN2S(C)(=O)=O)cc1 ZINC000616649769 450457950 /nfs/dbraw/zinc/45/79/50/450457950.db2.gz YMEFRSRYAXBEEV-AWEZNQCLSA-N 0 0 327.402 1.586 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1S(N)(=O)=O ZINC000616669024 450458575 /nfs/dbraw/zinc/45/85/75/450458575.db2.gz LZUVLZMHMADXCP-LBPRGKRZSA-N 0 0 341.433 1.536 10 0 EDAERN NS(=O)(=O)N1CCc2ccccc2[C@@H]1c1ccccc1CCO ZINC000616679619 450459197 /nfs/dbraw/zinc/45/91/97/450459197.db2.gz FYNGRRFKNDHRJL-QGZVFWFLSA-N 0 0 332.425 1.372 10 0 EDAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)OCO2 ZINC000619321148 450459392 /nfs/dbraw/zinc/45/93/92/450459392.db2.gz MXXCMAIOXNWXHH-SWLSCSKDSA-N 0 0 329.356 1.656 10 0 EDAERN C[C@@H](C(=O)[O-])N(C)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000630570642 451250984 /nfs/dbraw/zinc/25/09/84/451250984.db2.gz CQKFYCNJOGDHIO-AWEZNQCLSA-N 0 0 333.432 1.302 10 0 EDAERN Nc1nc([C@H]2CCN(C(=O)CCc3cccc(F)c3F)C2)cc(=O)[nH]1 ZINC000630721630 451361244 /nfs/dbraw/zinc/36/12/44/451361244.db2.gz HWGOPAKZWWKIQA-NSHDSACASA-N 0 0 348.353 1.991 10 0 EDAERN Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N)n3)C2)c(F)cc1F ZINC000630722584 451361976 /nfs/dbraw/zinc/36/19/76/451361976.db2.gz JOMPOODVCFSUCR-SECBINFHSA-N 0 0 334.326 1.981 10 0 EDAERN O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCc2cccc(F)c2)C2CC2)C[NH2+]1 ZINC000630684530 451339121 /nfs/dbraw/zinc/33/91/21/451339121.db2.gz LOIXPTVELLPVSR-BBRMVZONSA-N 0 0 334.391 1.812 10 0 EDAERN O=C(CCOc1cccc(Br)c1)N[C@H]1CCOC[C@H]1O ZINC000629220081 451600533 /nfs/dbraw/zinc/60/05/33/451600533.db2.gz KTTHJNSSUCMUHL-QWHCGFSZSA-N 0 0 344.205 1.484 10 0 EDAERN O=C(Cc1ccc(Br)cc1F)N[C@@H]1CCOC[C@@H]1O ZINC000629240217 451614155 /nfs/dbraw/zinc/61/41/55/451614155.db2.gz PZKDIBDADIVGCZ-NEPJUHHUSA-N 0 0 332.169 1.397 10 0 EDAERN Cc1noc(CN2CCCC[C@@H](NCc3ccncc3F)C2=O)n1 ZINC000643735054 452554670 /nfs/dbraw/zinc/55/46/70/452554670.db2.gz WWISYGOMNYGHFN-CQSZACIVSA-N 0 0 333.367 1.583 10 0 EDAERN NC(=O)c1cn([C@H]2CCN(c3ncc(Cl)cc3Cl)C2)nn1 ZINC000643758775 452593495 /nfs/dbraw/zinc/59/34/95/452593495.db2.gz GIYRJDIRZOVDMH-QMMMGPOBSA-N 0 0 327.175 1.530 10 0 EDAERN CNC(=O)[C@@]1(COC)CCCN1Cc1nccn1-c1ccccc1 ZINC000643764808 452605479 /nfs/dbraw/zinc/60/54/79/452605479.db2.gz FLDSMMAAIYQSGO-SFHVURJKSA-N 0 0 328.416 1.599 10 0 EDAERN Cc1cc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2C)ccc1Cl ZINC000644425626 453436601 /nfs/dbraw/zinc/43/66/01/453436601.db2.gz PMOAFFYOBBRIPX-CYBMUJFWSA-N 0 0 344.864 1.384 10 0 EDAERN COc1ccc(CCC(=O)N(C)C[C@@H]2CN(C)CCO2)cc1OC ZINC000074884963 486806924 /nfs/dbraw/zinc/80/69/24/486806924.db2.gz XSLAPTPFYUYWNU-HNNXBMFYSA-N 0 0 336.432 1.425 10 0 EDAERN Cn1ncnc1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000076790974 486988281 /nfs/dbraw/zinc/98/82/81/486988281.db2.gz VTPOZRKTUACQAQ-CYBMUJFWSA-N 0 0 337.330 1.376 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000077729958 487063524 /nfs/dbraw/zinc/06/35/24/487063524.db2.gz JUZXXCCKEHMLJL-MRXNPFEDSA-N 0 0 340.489 1.937 10 0 EDAERN OC[C@@H](Oc1c(Cl)nc(Cl)nc1N1CCOCC1)C1CC1 ZINC000216726693 485543288 /nfs/dbraw/zinc/54/32/88/485543288.db2.gz ICWVEZCBJLFDTF-SECBINFHSA-N 0 0 334.203 1.770 10 0 EDAERN CCOC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](C(N)=O)C1 ZINC000202412109 485900153 /nfs/dbraw/zinc/90/01/53/485900153.db2.gz QTZALVSZHPYNBJ-KBPBESRZSA-N 0 0 334.372 1.452 10 0 EDAERN CO[C@@H]1CN(Cc2cnc3ccc(Cl)cn23)C[C@H]1c1c[nH]nn1 ZINC000668577079 485913733 /nfs/dbraw/zinc/91/37/33/485913733.db2.gz RPUNURXAEMPULR-GXTWGEPZSA-N 0 0 332.795 1.720 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000122189310 491000276 /nfs/dbraw/zinc/00/02/76/491000276.db2.gz NOBXSXNOFQRXNF-CABCVRRESA-N 0 0 327.450 1.555 10 0 EDAERN CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2COc3ccccc32)c1 ZINC000194622380 500612335 /nfs/dbraw/zinc/61/23/35/500612335.db2.gz MMJHVZQWJKDPBF-HNNXBMFYSA-N 0 0 346.408 1.800 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccncc3F)C2=O)n(C)n1 ZINC000184115644 533895564 /nfs/dbraw/zinc/89/55/64/533895564.db2.gz KPWASJWNKLRSIX-ZDUSSCGKSA-N 0 0 346.366 1.580 10 0 EDAERN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCOC[C@H]1CO ZINC000168543554 533918545 /nfs/dbraw/zinc/91/85/45/533918545.db2.gz WDLVVEOURJXERB-ZYHUDNBSSA-N 0 0 344.205 1.436 10 0 EDAERN COC(=O)c1ccccc1CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000186986551 534289431 /nfs/dbraw/zinc/28/94/31/534289431.db2.gz RZRONKZYNOQZLE-MRXNPFEDSA-N 0 0 329.400 1.613 10 0 EDAERN Cn1nncc1[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000168077385 534365728 /nfs/dbraw/zinc/36/57/28/534365728.db2.gz JETAYWXPZSWMDP-LLVKDONJSA-N 0 0 326.150 1.431 10 0 EDAERN O=C(NCCc1c(F)cccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173779818 534435593 /nfs/dbraw/zinc/43/55/93/534435593.db2.gz SGWCLGVNVVLEPW-ZDUSSCGKSA-N 0 0 339.386 1.623 10 0 EDAERN C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177538004 534469430 /nfs/dbraw/zinc/46/94/30/534469430.db2.gz MJQSKINIKJMTNE-OAHLLOKOSA-N 0 0 337.383 1.746 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CSc2nc[nH]n2)C1 ZINC000253563378 534826781 /nfs/dbraw/zinc/82/67/81/534826781.db2.gz FJYOOFPSVHUIIO-JTQLQIEISA-N 0 0 341.437 1.413 10 0 EDAERN O=S(=O)(c1ccc(Cl)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173999091 534872637 /nfs/dbraw/zinc/87/26/37/534872637.db2.gz LIFXGVCRWAGARS-LBPRGKRZSA-N 0 0 348.827 1.574 10 0 EDAERN O=c1[nH]cnc(Sc2ccccn2)c1I ZINC000166097458 534889867 /nfs/dbraw/zinc/88/98/67/534889867.db2.gz LXQDBDLPMGYJBH-UHFFFAOYSA-N 0 0 331.138 1.921 10 0 EDAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000248011624 534894943 /nfs/dbraw/zinc/89/49/43/534894943.db2.gz PJGQBFBFPYLPKF-DOTOQJQBSA-N 0 0 334.416 1.182 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000247354803 534895276 /nfs/dbraw/zinc/89/52/76/534895276.db2.gz BMGQBWJKQJMCMB-UPJWGTAASA-N 0 0 349.435 1.403 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)CCn3ccnn3)C[C@H]21 ZINC000248579429 534896086 /nfs/dbraw/zinc/89/60/86/534896086.db2.gz IDMVPXBXQCOZCH-BFHYXJOUSA-N 0 0 349.435 1.430 10 0 EDAERN O=C([C@H]1CCCO1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC000096186806 526543241 /nfs/dbraw/zinc/54/32/41/526543241.db2.gz CTTFKJWRFWLVCE-VSZNYVQBSA-N 0 0 346.427 1.926 10 0 EDAERN CC(C)([C@H](O)Cc1cncc(Br)c1)N1CCOCC1 ZINC000167330022 527376936 /nfs/dbraw/zinc/37/69/36/527376936.db2.gz GCZNCJXVEQIGAL-CYBMUJFWSA-N 0 0 329.238 1.858 10 0 EDAERN CCN1CCO[C@@H](CNc2nc(NC)ncc2Br)C1 ZINC000166349403 527732599 /nfs/dbraw/zinc/73/25/99/527732599.db2.gz PVWFAZYFGUTYLE-VIFPVBQESA-N 0 0 330.230 1.413 10 0 EDAERN CC1=CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000167564414 528121448 /nfs/dbraw/zinc/12/14/48/528121448.db2.gz LKOQBUGYUKIMJU-UHFFFAOYSA-N 0 0 333.406 1.570 10 0 EDAERN CC(C)c1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174010492 528191658 /nfs/dbraw/zinc/19/16/58/528191658.db2.gz WXERAPXTYLMGHM-OAHLLOKOSA-N 0 0 345.443 1.682 10 0 EDAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000174661344 528202601 /nfs/dbraw/zinc/20/26/01/528202601.db2.gz OZCYZDSFKDKENJ-AWEZNQCLSA-N 0 0 342.465 1.027 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000184397364 528484293 /nfs/dbraw/zinc/48/42/93/528484293.db2.gz JZUPEECNSUFLCC-HNNXBMFYSA-N 0 0 329.404 1.911 10 0 EDAERN CCN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000189813432 528733822 /nfs/dbraw/zinc/73/38/22/528733822.db2.gz MSHYPFIBNZSIIZ-PWSUYJOCSA-N 0 0 347.337 1.968 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cc(C)cnc2OC)C[C@@H]1C ZINC000174991459 528741675 /nfs/dbraw/zinc/74/16/75/528741675.db2.gz MAQOUHKSPGKBKL-AWEZNQCLSA-N 0 0 336.436 1.973 10 0 EDAERN CCOC(=O)NCCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187626985 529056829 /nfs/dbraw/zinc/05/68/29/529056829.db2.gz ZSEGZUVHAAWRMO-STQMWFEESA-N 0 0 326.418 1.419 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188016094 529154239 /nfs/dbraw/zinc/15/42/39/529154239.db2.gz IQZRHOIXHQEXGC-UHFFFAOYSA-N 0 0 343.427 1.623 10 0 EDAERN CC[C@@H](O)CN1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187686883 529229623 /nfs/dbraw/zinc/22/96/23/529229623.db2.gz ZBRDABVZIAUHPB-GOEBONIOSA-N 0 0 340.489 1.540 10 0 EDAERN CC[C@@H]1C(=O)N[C@@H](CC)C(=O)N1Cc1cncc(Br)c1 ZINC000168888866 529266548 /nfs/dbraw/zinc/26/65/48/529266548.db2.gz WHQOGQNGRAZKIC-NWDGAFQWSA-N 0 0 340.221 1.860 10 0 EDAERN CC(C)CCn1cc(C(=O)N2CCO[C@@H](c3nccs3)C2)nn1 ZINC000151824968 534981859 /nfs/dbraw/zinc/98/18/59/534981859.db2.gz LHORLHYRVPRFBR-CYBMUJFWSA-N 0 0 335.433 1.994 10 0 EDAERN CO[C@@H]1CCCCN(CC(=O)Nc2cnn(C)c2C(F)(F)F)C1=O ZINC000888076274 590930398 /nfs/dbraw/zinc/93/03/98/590930398.db2.gz SDOPLSQPPGJRAQ-SNVBAGLBSA-N 0 0 348.325 1.405 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1cccn(C)c1=O ZINC000888076758 590931430 /nfs/dbraw/zinc/93/14/30/590931430.db2.gz ZZNAQCRBGPQAMS-CJNGLKHVSA-N 0 0 344.415 1.243 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2c[nH]c3ncccc23)C1 ZINC000888077621 590934101 /nfs/dbraw/zinc/93/41/01/590934101.db2.gz MBUSYZFAUCNHPF-TZMCWYRMSA-N 0 0 325.372 1.817 10 0 EDAERN CN(C)C(=O)c1ccc(N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)nc1 ZINC000888095160 591025631 /nfs/dbraw/zinc/02/56/31/591025631.db2.gz KTPOWOQPKYUYBD-XEZPLFJOSA-N 0 0 332.404 1.022 10 0 EDAERN Cc1noc([C@@H]2COCCN2C2CN(C(=O)C3=C(C)OCCC3)C2)n1 ZINC000888095363 591026316 /nfs/dbraw/zinc/02/63/16/591026316.db2.gz YXRQFIDIGZHUTD-HNNXBMFYSA-N 0 0 348.403 1.047 10 0 EDAERN O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)N1CCC(c2cc[nH]n2)CC1 ZINC000896490253 591477350 /nfs/dbraw/zinc/47/73/50/591477350.db2.gz UJLLWWPSUAMMOE-GDBMZVCRSA-N 0 0 349.431 1.816 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccoc2C2CC2)cn1 ZINC000818598796 593706807 /nfs/dbraw/zinc/70/68/07/593706807.db2.gz SMOSJDAMILRWMC-LSDHHAIUSA-N 0 0 331.372 1.950 10 0 EDAERN COC(=O)c1occc1CN1CCCN(Cc2noc(C)n2)CC1 ZINC000105866819 595481173 /nfs/dbraw/zinc/48/11/73/595481173.db2.gz DVQXYFNYEGIDLI-UHFFFAOYSA-N 0 0 334.376 1.466 10 0 EDAERN COc1cccc(/C(C)=C/C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1 ZINC000855079595 595593547 /nfs/dbraw/zinc/59/35/47/595593547.db2.gz DWYBLOIPSQWYNX-DHMDNTQVSA-N 0 0 327.384 1.786 10 0 EDAERN Cc1cnn(C[C@H]2CN(CN3C(=O)C[C@H]3c3ccccc3)CCO2)c1 ZINC000112071974 596016720 /nfs/dbraw/zinc/01/67/20/596016720.db2.gz USBYYAZVSHFXGW-MSOLQXFVSA-N 0 0 340.427 1.823 10 0 EDAERN CCOC(=O)c1cn(CN2CCO[C@H](Cn3cc(C)cn3)C2)nc1C ZINC000112071878 596016753 /nfs/dbraw/zinc/01/67/53/596016753.db2.gz CXICJHCAFSMHQI-HNNXBMFYSA-N 0 0 347.419 1.232 10 0 EDAERN OC[C@@H]1CCCN1c1cc(N2CCC(C3OCCO3)CC2)ncn1 ZINC000110474039 596083936 /nfs/dbraw/zinc/08/39/36/596083936.db2.gz NCFFSZRZGSCDOB-AWEZNQCLSA-N 0 0 334.420 1.027 10 0 EDAERN CCN1C[C@H](COC(=O)Cn2ccc(=O)c3ccccc32)CC1=O ZINC000123906877 596774200 /nfs/dbraw/zinc/77/42/00/596774200.db2.gz LTWLHDUCKZNNOG-CYBMUJFWSA-N 0 0 328.368 1.413 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)O1 ZINC000130872537 597635232 /nfs/dbraw/zinc/63/52/32/597635232.db2.gz WWZACYFHYBRZME-QMTHXVAHSA-N 0 0 337.807 1.782 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000175884058 282097555 /nfs/dbraw/zinc/09/75/55/282097555.db2.gz LWWQJLGVRCSUJW-AWEZNQCLSA-N 0 0 343.435 1.744 10 0 EDAERN CC(C)NC(=O)CCN1c2ccc(Br)cc2C(=O)C1=O ZINC000054048627 214213518 /nfs/dbraw/zinc/21/35/18/214213518.db2.gz VLQPKQSCEPTBBR-UHFFFAOYSA-N 0 0 339.189 1.893 10 0 EDAERN Cc1nnc([C@@H]2CN(Cc3noc(-c4ccsc4)n3)CCO2)[nH]1 ZINC000173760246 231026459 /nfs/dbraw/zinc/02/64/59/231026459.db2.gz KHOWDNKEFWNLFV-NSHDSACASA-N 0 0 332.389 1.798 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@@H]1N1CCOCC1 ZINC000173868550 231056717 /nfs/dbraw/zinc/05/67/17/231056717.db2.gz LWTAOFJQHGZLSP-PBHICJAKSA-N 0 0 341.415 1.060 10 0 EDAERN C[C@H]1CCc2cccc(NS(=O)(=O)CCS(C)(=O)=O)c2N1 ZINC000063142921 214746049 /nfs/dbraw/zinc/74/60/49/214746049.db2.gz YZJJLFHYCXMXGP-JTQLQIEISA-N 0 0 332.447 1.220 10 0 EDAERN CCc1cccc2c(CC(=O)N3CC(NC(=O)COC)C3)c[nH]c21 ZINC000185290301 529549492 /nfs/dbraw/zinc/54/94/92/529549492.db2.gz PHVABXRYSGDPDL-UHFFFAOYSA-N 0 0 329.400 1.246 10 0 EDAERN CCc1nc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)sc1C ZINC000173987261 529743069 /nfs/dbraw/zinc/74/30/69/529743069.db2.gz GFDZEUQLHZPEIS-ZDUSSCGKSA-N 0 0 338.477 1.359 10 0 EDAERN CN1CCOc2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc21 ZINC000190248649 529791830 /nfs/dbraw/zinc/79/18/30/529791830.db2.gz XEMWYHUKAZBIAC-LBPRGKRZSA-N 0 0 328.376 1.243 10 0 EDAERN CS(=O)(=O)c1cnn(-c2cc(F)c(Br)cc2N)c1 ZINC000725251959 539388895 /nfs/dbraw/zinc/38/88/95/539388895.db2.gz NIIQFTJCDQYCCL-UHFFFAOYSA-N 0 0 334.170 1.760 10 0 EDAERN CN(c1ccccc1)C1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183789396 530035687 /nfs/dbraw/zinc/03/56/87/530035687.db2.gz FRTGIVAXSNJNNR-UHFFFAOYSA-N 0 0 344.459 1.823 10 0 EDAERN COc1ccccc1CN1C[C@@H](C(=O)N2CCOCC2)CCC1=O ZINC000012597169 201857256 /nfs/dbraw/zinc/85/72/56/201857256.db2.gz NZJBABRMDWNPGF-HNNXBMFYSA-N 0 0 332.400 1.293 10 0 EDAERN COC(=O)c1cn(Cc2ccc(OC)cc2)cc(C(=O)OC)c1=O ZINC000015417918 201956724 /nfs/dbraw/zinc/95/67/24/201956724.db2.gz JLDAIYZYLLPSDG-UHFFFAOYSA-N 0 0 331.324 1.478 10 0 EDAERN O=C(Nc1ccccc1CN1CCNC1=O)N[C@@H]1CCCC[C@H]1CO ZINC000182755138 304008589 /nfs/dbraw/zinc/00/85/89/304008589.db2.gz PJTNKUCUSCLSIB-GOEBONIOSA-N 0 0 346.431 1.884 10 0 EDAERN COCCN(C(=O)N[C@@H](C)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000179519746 233128540 /nfs/dbraw/zinc/12/85/40/233128540.db2.gz ABMNYEROYVYULM-RYUDHWBXSA-N 0 0 346.474 1.654 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)c2csnn2)c2cccs2)CCO1 ZINC000246876643 290884768 /nfs/dbraw/zinc/88/47/68/290884768.db2.gz MMKYHFBDQPVGAC-CMPLNLGQSA-N 0 0 338.458 1.791 10 0 EDAERN CN(C(=O)N[C@@H]1CCc2ncnn2C1)[C@H]1CCCc2c1cnn2C ZINC000159053505 540003328 /nfs/dbraw/zinc/00/33/28/540003328.db2.gz DAENQQUONHEBHP-YPMHNXCESA-N 0 0 329.408 1.045 10 0 EDAERN C[C@H]1CS(=O)(=O)CCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000179613127 291000290 /nfs/dbraw/zinc/00/02/90/291000290.db2.gz GHSWRHZULYRGPK-FZMZJTMJSA-N 0 0 342.848 1.952 10 0 EDAERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1S(N)(=O)=O ZINC000174852959 540095805 /nfs/dbraw/zinc/09/58/05/540095805.db2.gz KDMRCTWKFMYFGW-CQSZACIVSA-N 0 0 348.428 1.733 10 0 EDAERN CC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C(C)(C)C1 ZINC000180907672 540123035 /nfs/dbraw/zinc/12/30/35/540123035.db2.gz SQUQBSPPKFPWHF-CYBMUJFWSA-N 0 0 346.431 1.666 10 0 EDAERN Cc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)[nH]c(=O)n1 ZINC000182695361 540133206 /nfs/dbraw/zinc/13/32/06/540133206.db2.gz KPUAZUOVXAQSQA-HNNXBMFYSA-N 0 0 342.399 1.780 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1cc(Cl)cc2c1OCC2)C(C)C ZINC000183771416 540140728 /nfs/dbraw/zinc/14/07/28/540140728.db2.gz BDUMQCNOEUYJDM-CYBMUJFWSA-N 0 0 339.823 1.845 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000189027873 540163051 /nfs/dbraw/zinc/16/30/51/540163051.db2.gz DPEWHFCBKBZHTE-ZYHUDNBSSA-N 0 0 338.433 1.530 10 0 EDAERN CCOc1cnc(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)cn1 ZINC000189402518 540165043 /nfs/dbraw/zinc/16/50/43/540165043.db2.gz ZCJCNRPNSSVVEQ-AWEZNQCLSA-N 0 0 345.403 1.230 10 0 EDAERN Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1F ZINC000184015607 235286178 /nfs/dbraw/zinc/28/61/78/235286178.db2.gz FWBMUTMLPKOJKF-CQSZACIVSA-N 0 0 328.409 1.517 10 0 EDAERN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)C(N)=O ZINC000189542241 540165458 /nfs/dbraw/zinc/16/54/58/540165458.db2.gz INRMLURXJPDKOS-JTQLQIEISA-N 0 0 332.187 1.558 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000192222726 540178032 /nfs/dbraw/zinc/17/80/32/540178032.db2.gz UQVHJEYYPHUDJB-DXCKQFNASA-N 0 0 331.416 1.087 10 0 EDAERN CN(C)c1noc(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000192713412 540179537 /nfs/dbraw/zinc/17/95/37/540179537.db2.gz REJSELJBDKXJLM-UHFFFAOYSA-N 0 0 347.467 1.405 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1)[C@@H]1CCCO1 ZINC000192956850 540181330 /nfs/dbraw/zinc/18/13/30/540181330.db2.gz PQXPBQXUCDNGBY-WPRPVWTQSA-N 0 0 331.294 1.723 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNc2ncnc3onc(C)c32)ncn1 ZINC000193394159 540182275 /nfs/dbraw/zinc/18/22/75/540182275.db2.gz BTOXCOTUFTXWNJ-LLVKDONJSA-N 0 0 340.391 1.839 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3nc4ccccn4n3)CCO2)c1 ZINC000184401028 235387896 /nfs/dbraw/zinc/38/78/96/235387896.db2.gz URPVRKUVSSRLQP-CYBMUJFWSA-N 0 0 341.375 1.167 10 0 EDAERN CNC(=O)NC(=O)[C@H](C)Nc1ccccc1I ZINC000020300906 202038083 /nfs/dbraw/zinc/03/80/83/202038083.db2.gz BGLLGBLPZLUAGD-ZETCQYMHSA-N 0 0 347.156 1.547 10 0 EDAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000068280285 138193756 /nfs/dbraw/zinc/19/37/56/138193756.db2.gz XJHJNLFUZJWUOT-YNEHKIRRSA-N 0 0 334.420 1.616 10 0 EDAERN CCOC(=O)CNC[C@@H](O)COc1ccc(Br)cc1 ZINC000037893706 202055527 /nfs/dbraw/zinc/05/55/27/202055527.db2.gz QBGJYUYAJWNMKX-LLVKDONJSA-N 0 0 332.194 1.342 10 0 EDAERN O=C(c1cccn1-c1nnc(N2CCCCC2)s1)N1CCOCC1 ZINC000020980958 202060164 /nfs/dbraw/zinc/06/01/64/202060164.db2.gz VPGGPKREKMPCDK-UHFFFAOYSA-N 0 0 347.444 1.792 10 0 EDAERN CCN(CC)C(=O)CN(C)S(=O)(=O)c1sc(Cl)nc1C ZINC000037985266 202078332 /nfs/dbraw/zinc/07/83/32/202078332.db2.gz UWXBIZPPWKTQSE-UHFFFAOYSA-N 0 0 339.870 1.594 10 0 EDAERN COc1ccc([C@@H](C(=O)[O-])N2CCC[NH2+]CC2)cc1Br ZINC000038052435 202095015 /nfs/dbraw/zinc/09/50/15/202095015.db2.gz XGRVNILPHXQRMD-ZDUSSCGKSA-N 0 0 343.221 1.879 10 0 EDAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](C)C(C)C)c1 ZINC000023237348 202100017 /nfs/dbraw/zinc/10/00/17/202100017.db2.gz NICLRUGIKFJBNM-LBPRGKRZSA-N 0 0 340.445 1.718 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCCOCC1CCOCC1 ZINC000077043711 138251353 /nfs/dbraw/zinc/25/13/53/138251353.db2.gz VUFNYRHIZVDCED-CYBMUJFWSA-N 0 0 338.404 1.347 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(-n2cnnn2)cc1Cl ZINC000077157042 138251619 /nfs/dbraw/zinc/25/16/19/138251619.db2.gz JEJLGUPFLXAWKV-QMTHXVAHSA-N 0 0 335.795 1.597 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@](C)(O)CSC ZINC000088755815 138272811 /nfs/dbraw/zinc/27/28/11/138272811.db2.gz SHPUYEQDAVPWGA-QMTHXVAHSA-N 0 0 327.454 1.089 10 0 EDAERN CN1CCO[C@H](CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000104797312 138300466 /nfs/dbraw/zinc/30/04/66/138300466.db2.gz UATSMCOJOICYNX-MSOLQXFVSA-N 0 0 340.427 1.801 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOc1ccc(F)cc1)CC2 ZINC000114869941 138310748 /nfs/dbraw/zinc/31/07/48/138310748.db2.gz LSNXBTRVEUTIJY-ZDUSSCGKSA-N 0 0 332.379 1.880 10 0 EDAERN CCOCCCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115804043 138311384 /nfs/dbraw/zinc/31/13/84/138311384.db2.gz DFEXSFQESQAUHM-UHFFFAOYSA-N 0 0 337.468 1.454 10 0 EDAERN C[C@H](NC(=O)c1ccc(N2CCCC2)nn1)c1nnc2n1CCCC2 ZINC000126240829 138337877 /nfs/dbraw/zinc/33/78/77/138337877.db2.gz GBICOLXMCBHARW-LBPRGKRZSA-N 0 0 341.419 1.496 10 0 EDAERN COc1ccc(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1F ZINC000126710340 138338444 /nfs/dbraw/zinc/33/84/44/138338444.db2.gz VYOFCBMIXDEASS-CQSZACIVSA-N 0 0 332.379 1.907 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)CCCCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000130478196 138341607 /nfs/dbraw/zinc/34/16/07/138341607.db2.gz QEBHWTAWOZVVGU-YHUYYLMFSA-N 0 0 340.464 1.818 10 0 EDAERN NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCCC1 ZINC000029038956 202180890 /nfs/dbraw/zinc/18/08/90/202180890.db2.gz DARVQYMHLCLCKU-UHFFFAOYSA-N 0 0 327.793 1.705 10 0 EDAERN NC(=O)C1CCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000031868207 202211557 /nfs/dbraw/zinc/21/15/57/202211557.db2.gz OKMLRLDVZDNCFZ-UHFFFAOYSA-N 0 0 330.413 1.472 10 0 EDAERN O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000151337826 138452019 /nfs/dbraw/zinc/45/20/19/138452019.db2.gz QUWJGISYSXCBMS-CVEARBPZSA-N 0 0 347.459 1.152 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c(F)c1 ZINC000188015030 236385509 /nfs/dbraw/zinc/38/55/09/236385509.db2.gz PDBHUSFOFHFZGK-UHFFFAOYSA-N 0 0 333.363 1.200 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000091779324 283356327 /nfs/dbraw/zinc/35/63/27/283356327.db2.gz PXMJDZWRDHWRSY-CYBMUJFWSA-N 0 0 342.848 1.925 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](O)c1cccc(OC)c1)CC2 ZINC000164236982 138650310 /nfs/dbraw/zinc/65/03/10/138650310.db2.gz XTLDZGRKADLEPP-BLLLJJGKSA-N 0 0 330.388 1.014 10 0 EDAERN CNS(=O)(=O)CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000175217980 138692802 /nfs/dbraw/zinc/69/28/02/138692802.db2.gz MYIJPOKKSCCWDA-NSHDSACASA-N 0 0 345.490 1.522 10 0 EDAERN COc1ccc([C@H](C)C(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1 ZINC000176880868 138714394 /nfs/dbraw/zinc/71/43/94/138714394.db2.gz SGKCUQHLIJNPDK-BLLLJJGKSA-N 0 0 334.416 1.586 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000177637690 138732191 /nfs/dbraw/zinc/73/21/91/138732191.db2.gz JFUAPRICIRWBCO-LBPRGKRZSA-N 0 0 345.378 1.358 10 0 EDAERN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)C[C@@H](O)CO ZINC000177674411 138732539 /nfs/dbraw/zinc/73/25/39/138732539.db2.gz NHUIFUFHUATIEA-KCJUWKMLSA-N 0 0 346.792 1.219 10 0 EDAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCCC(=O)N1CCOCC1)[C@@H](C)C2 ZINC000181006016 138763595 /nfs/dbraw/zinc/76/35/95/138763595.db2.gz IKRMIWKLMPRLTI-KSSFIOAISA-N 0 0 345.443 1.776 10 0 EDAERN O=C([O-])C[C@H]1C[NH2+]CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000071754542 304084422 /nfs/dbraw/zinc/08/44/22/304084422.db2.gz HGOKISZMWPOLNA-ZDUSSCGKSA-N 0 0 329.400 1.623 10 0 EDAERN Cc1ccn(C)c1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000189717007 237177730 /nfs/dbraw/zinc/17/77/30/237177730.db2.gz GAKGQBQUXYLNNT-QGZVFWFLSA-N 0 0 327.428 1.825 10 0 EDAERN O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC1CC1 ZINC000072129794 216020793 /nfs/dbraw/zinc/02/07/93/216020793.db2.gz ULLZIRCCGAEFFZ-AWEZNQCLSA-N 0 0 339.798 1.448 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCCc3cccc(F)c3)CCO2)[nH]1 ZINC000175522182 237307805 /nfs/dbraw/zinc/30/78/05/237307805.db2.gz MIMFYFGCJMLBGI-OAHLLOKOSA-N 0 0 347.394 1.968 10 0 EDAERN Cc1ccccc1CNC(=O)[C@@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000176571845 237341449 /nfs/dbraw/zinc/34/14/49/237341449.db2.gz BRVALWLZUDAYLZ-OZAJXLCCSA-N 0 0 349.460 1.516 10 0 EDAERN CS(=O)(=O)Nc1cc(N[C@@H]2CCCS(=O)(=O)C2)ccc1F ZINC000069136534 202268847 /nfs/dbraw/zinc/26/88/47/202268847.db2.gz IKIODSNISDPICL-SNVBAGLBSA-N 0 0 336.410 1.186 10 0 EDAERN COCc1cccc(CC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000189935185 237417794 /nfs/dbraw/zinc/41/77/94/237417794.db2.gz WESZZKHREFFRHU-CRAIPNDOSA-N 0 0 332.444 1.555 10 0 EDAERN O=C([O-])CC[NH2+]CC(=O)Nc1ccccc1I ZINC000035386754 202301319 /nfs/dbraw/zinc/30/13/19/202301319.db2.gz HQDKYCAOPRYOAU-UHFFFAOYSA-N 0 0 348.140 1.294 10 0 EDAERN C[C@H](COc1ccc(Br)cc1F)CS(N)(=O)=O ZINC000070065440 202305197 /nfs/dbraw/zinc/30/51/97/202305197.db2.gz PUVBALXOXOWSKL-SSDOTTSWSA-N 0 0 326.187 1.892 10 0 EDAERN CN(C)c1ccc(NS(=O)(=O)c2c(N)ncn2C)cc1Cl ZINC000070085513 202305962 /nfs/dbraw/zinc/30/59/62/202305962.db2.gz UGIVKLHEAIJBGD-UHFFFAOYSA-N 0 0 329.813 1.523 10 0 EDAERN O=C([O-])C[NH+]1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000035680788 202308319 /nfs/dbraw/zinc/30/83/19/202308319.db2.gz XYPTYHDOQUBGJW-UHFFFAOYSA-N 0 0 331.185 1.790 10 0 EDAERN CCS(=O)(=O)NC[C@@H](c1cccc(OC)c1)N1CCOCC1 ZINC000036099033 202313938 /nfs/dbraw/zinc/31/39/38/202313938.db2.gz AJRPXLVSZZMYKI-HNNXBMFYSA-N 0 0 328.434 1.008 10 0 EDAERN Cc1nnc([C@@H](CC(C)C)NS(=O)(=O)c2c(C)n[nH]c2C)o1 ZINC000036112325 202316064 /nfs/dbraw/zinc/31/60/64/202316064.db2.gz WXWIIUKCFZKACF-LLVKDONJSA-N 0 0 327.410 1.784 10 0 EDAERN CCOC(=O)[C@@H](C)NS(=O)(=O)CCSc1ccccc1N ZINC000070215598 202318573 /nfs/dbraw/zinc/31/85/73/202318573.db2.gz WZFVMWPLQSIDRQ-SNVBAGLBSA-N 0 0 332.447 1.232 10 0 EDAERN COC(=O)CSCC(=O)Nc1ccc(N)cc1Br ZINC000036336652 202321302 /nfs/dbraw/zinc/32/13/02/202321302.db2.gz NPWRBDGCYGNADI-UHFFFAOYSA-N 0 0 333.207 1.876 10 0 EDAERN NC(=S)c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCCO1 ZINC000070395325 202332798 /nfs/dbraw/zinc/33/27/98/202332798.db2.gz NFZXHCKDZXZDFD-VIFPVBQESA-N 0 0 332.422 1.307 10 0 EDAERN CC[C@H]1COCCN1S(=O)(=O)c1cc(C(N)=S)ccc1C ZINC000070431500 202334028 /nfs/dbraw/zinc/33/40/28/202334028.db2.gz VMNBBLUDURVLMQ-LBPRGKRZSA-N 0 0 328.459 1.429 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N(C)C[C@@H]1CCCO1 ZINC000070431538 202334985 /nfs/dbraw/zinc/33/49/85/202334985.db2.gz HOEFJYRKHNHVDQ-LBPRGKRZSA-N 0 0 328.459 1.429 10 0 EDAERN Cn1ccnc1CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000071275376 202343468 /nfs/dbraw/zinc/34/34/68/202343468.db2.gz LGFZZWCQWKLIBI-UHFFFAOYSA-N 0 0 335.216 1.788 10 0 EDAERN C[C@](NC[C@@H]1CCCO1)(C(N)=O)c1ccccc1Br ZINC000037950523 202379028 /nfs/dbraw/zinc/37/90/28/202379028.db2.gz WTENRUUAEQWXFJ-IINYFYTJSA-N 0 0 327.222 1.918 10 0 EDAERN COC(=O)Cn1c(CCNC(=O)c2ccccn2)nc2ccccc21 ZINC000040184729 202429067 /nfs/dbraw/zinc/42/90/67/202429067.db2.gz GOUKUSUXRMVNJU-UHFFFAOYSA-N 0 0 338.367 1.577 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)Nc3cccc(N(C)C)n3)CCO2)cn1 ZINC000190224309 238310766 /nfs/dbraw/zinc/31/07/66/238310766.db2.gz BJSNQZGEDCOMRY-CQSZACIVSA-N 0 0 344.419 1.969 10 0 EDAERN Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCC2(C)CCC2)cn1 ZINC000190308291 238378654 /nfs/dbraw/zinc/37/86/54/238378654.db2.gz WGZUHRZWYGZYMN-CYBMUJFWSA-N 0 0 340.449 1.091 10 0 EDAERN C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(Cl)s1 ZINC000186908048 138821297 /nfs/dbraw/zinc/82/12/97/138821297.db2.gz UVVFGULOJXUOAN-SSDOTTSWSA-N 0 0 345.833 1.935 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c(Cl)nc3ccccn31)CC2 ZINC000114865581 201071324 /nfs/dbraw/zinc/07/13/24/201071324.db2.gz KMHPMVZWBHYTSD-SNVBAGLBSA-N 0 0 344.806 1.886 10 0 EDAERN CCCN(CCC)C(=O)CCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114871550 201072092 /nfs/dbraw/zinc/07/20/92/201072092.db2.gz DCLKLFAIPGJBNK-AWEZNQCLSA-N 0 0 349.479 1.700 10 0 EDAERN O=C(Nc1cnc(-c2ccccc2)nc1)N[C@H]1CCc2ncnn2C1 ZINC000112712268 201066962 /nfs/dbraw/zinc/06/69/62/201066962.db2.gz INVUSTCBOQHLRG-ZDUSSCGKSA-N 0 0 335.371 1.872 10 0 EDAERN CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165926147 201086077 /nfs/dbraw/zinc/08/60/77/201086077.db2.gz WWBOOGXXTMKZSK-ZCFIWIBFSA-N 0 0 341.216 1.806 10 0 EDAERN COc1c(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c(C)nn1C ZINC000116781925 201076621 /nfs/dbraw/zinc/07/66/21/201076621.db2.gz FDHOXVWABZTYRY-CQSZACIVSA-N 0 0 346.435 1.498 10 0 EDAERN C[C@H](CNC(=O)c1cccc(Br)c1)N1CCOCC1 ZINC000046269876 201106041 /nfs/dbraw/zinc/10/60/41/201106041.db2.gz BUUUVQXHZRUGIL-LLVKDONJSA-N 0 0 327.222 1.900 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000041917219 201095484 /nfs/dbraw/zinc/09/54/84/201095484.db2.gz BUTYSRPYRCHALI-JOYOIKCWSA-N 0 0 326.780 1.971 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000041916513 201095960 /nfs/dbraw/zinc/09/59/60/201095960.db2.gz NRSVGRIKGPUFFR-BXKDBHETSA-N 0 0 326.780 1.971 10 0 EDAERN Cc1cc(C(=O)N(C)C2CC2)cc(S(N)(=O)=O)c1Br ZINC000138040115 201137147 /nfs/dbraw/zinc/13/71/47/201137147.db2.gz CIEWBTCGONNJIG-UHFFFAOYSA-N 0 0 347.234 1.639 10 0 EDAERN COC(=O)c1ncsc1S(=O)(=O)N(C)Cc1ccccn1 ZINC000136429070 201132905 /nfs/dbraw/zinc/13/29/05/201132905.db2.gz VLVBAEGXQKKHLZ-UHFFFAOYSA-N 0 0 327.387 1.145 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)CCS1 ZINC000137169266 201135731 /nfs/dbraw/zinc/13/57/31/201135731.db2.gz JLDGLQFCUKWHOS-MRVPVSSYSA-N 0 0 334.463 1.586 10 0 EDAERN COCCOc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1F ZINC000067320679 201159953 /nfs/dbraw/zinc/15/99/53/201159953.db2.gz KRUMIURBHRRHDZ-NSHDSACASA-N 0 0 326.368 1.950 10 0 EDAERN CNc1nc(Sc2nnc(SC)s2)nc(-n2ccnc2)n1 ZINC000161850471 201389947 /nfs/dbraw/zinc/38/99/47/201389947.db2.gz OLQKEPGUTIJMGG-UHFFFAOYSA-N 0 0 338.447 1.824 10 0 EDAERN CS(=O)(=O)CCCS(=O)(=O)c1ccc(C(F)(F)F)cc1N ZINC000149812887 201390396 /nfs/dbraw/zinc/39/03/96/201390396.db2.gz DFBABUBERKDUHU-UHFFFAOYSA-N 0 0 345.364 1.496 10 0 EDAERN [NH3+][C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1 ZINC000027627918 201387595 /nfs/dbraw/zinc/38/75/95/201387595.db2.gz MUKSDTOOLRNSIO-MRVPVSSYSA-N 0 0 332.335 1.106 10 0 EDAERN Nc1ccc(Br)c(C(=O)O[C@@H]2CCS(=O)(=O)C2)c1 ZINC000045626097 202553791 /nfs/dbraw/zinc/55/37/91/202553791.db2.gz OQJYAIQNUOIZLC-MRVPVSSYSA-N 0 0 334.191 1.375 10 0 EDAERN C[C@@H]1CC(=O)NCC(=O)N1Cc1cccc(F)c1Br ZINC000157833187 201404765 /nfs/dbraw/zinc/40/47/65/201404765.db2.gz BPHAMYLWBYFVEV-MRVPVSSYSA-N 0 0 329.169 1.825 10 0 EDAERN CC(C)n1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000188568968 138845072 /nfs/dbraw/zinc/84/50/72/138845072.db2.gz YTGZVGKUVGVHHP-LLVKDONJSA-N 0 0 336.417 1.602 10 0 EDAERN CCOC(=O)N1CCN(C(=O)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000049683823 202627121 /nfs/dbraw/zinc/62/71/21/202627121.db2.gz DWFNDWTYMFZEBN-UHFFFAOYSA-N 0 0 344.371 1.959 10 0 EDAERN O=S(=O)(NCc1nn2cnnc2s1)c1cccc(Cl)c1 ZINC000049735364 202628291 /nfs/dbraw/zinc/62/82/91/202628291.db2.gz RMWVBPDCTCQVNN-UHFFFAOYSA-N 0 0 329.794 1.318 10 0 EDAERN COCCCCNS(=O)(=O)c1cc(Br)cnc1N ZINC000050671708 202634696 /nfs/dbraw/zinc/63/46/96/202634696.db2.gz IOBBAQQKXQGVFQ-UHFFFAOYSA-N 0 0 338.227 1.131 10 0 EDAERN CC[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)C1 ZINC000163360434 201417507 /nfs/dbraw/zinc/41/75/07/201417507.db2.gz OMVLJABWPUYLBI-QMMMGPOBSA-N 0 0 334.800 1.999 10 0 EDAERN COC(=O)[C@H]1COCCN1C(=O)c1cc(N)ccc1Br ZINC000163378188 201418433 /nfs/dbraw/zinc/41/84/33/201418433.db2.gz ATSBZNUBAUBRDF-LLVKDONJSA-N 0 0 343.177 1.045 10 0 EDAERN C[C@@H]1C[C@H](C)CN1C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F ZINC000165607142 201421482 /nfs/dbraw/zinc/42/14/82/201421482.db2.gz QBRQZULKCCQYHV-JGVFFNPUSA-N 0 0 334.800 1.997 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C12CCC2 ZINC000188872438 138854387 /nfs/dbraw/zinc/85/43/87/138854387.db2.gz WJJVUSLOXYXJNT-HUUCEWRRSA-N 0 0 335.448 1.644 10 0 EDAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CC(NC(=O)C2CCC2)C1 ZINC000189228982 138864669 /nfs/dbraw/zinc/86/46/69/138864669.db2.gz QOGKVEYOSIIYJD-OAHLLOKOSA-N 0 0 336.819 1.891 10 0 EDAERN CN(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000059244878 202775748 /nfs/dbraw/zinc/77/57/48/202775748.db2.gz NEZMIFQVPHVEAL-LBPRGKRZSA-N 0 0 327.406 1.237 10 0 EDAERN NC(=O)Cc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1 ZINC000211820097 241085381 /nfs/dbraw/zinc/08/53/81/241085381.db2.gz CMRSPXJKCZACER-UHFFFAOYSA-N 0 0 328.440 1.575 10 0 EDAERN CCOc1ccc(C(=O)Nc2ccc(OCCNC(C)=O)cc2)nn1 ZINC000061978419 202793615 /nfs/dbraw/zinc/79/36/15/202793615.db2.gz MDFPOABUASTFEM-UHFFFAOYSA-N 0 0 344.371 1.643 10 0 EDAERN CCOCCCN1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)CC1=O ZINC000002953361 201553173 /nfs/dbraw/zinc/55/31/73/201553173.db2.gz VOKMMXTUFRKAEZ-AWEZNQCLSA-N 0 0 348.399 1.307 10 0 EDAERN CCCN1CCN(S(=O)(=O)c2cccc(C(N)=S)c2)CC1 ZINC000021043994 212202078 /nfs/dbraw/zinc/20/20/78/212202078.db2.gz FWYYSVJNWNEAJY-UHFFFAOYSA-N 0 0 327.475 1.037 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)s1 ZINC000190529692 138892787 /nfs/dbraw/zinc/89/27/87/138892787.db2.gz MWUFVOJTPQCNMN-UHFFFAOYSA-N 0 0 333.417 1.773 10 0 EDAERN CNS(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1ccccc1)CC2 ZINC000062605454 202800528 /nfs/dbraw/zinc/80/05/28/202800528.db2.gz FXMTZCRKDRSCFQ-UHFFFAOYSA-N 0 0 344.436 1.722 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(C)c(C)c3ncccc23)C1 ZINC000191346422 138911493 /nfs/dbraw/zinc/91/14/93/138911493.db2.gz PWZABMCOOKGUPR-UHFFFAOYSA-N 0 0 340.383 1.137 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000069852092 203058862 /nfs/dbraw/zinc/05/88/62/203058862.db2.gz OMGAYUJXXCJSDN-AWEZNQCLSA-N 0 0 330.363 1.752 10 0 EDAERN O=C(c1ccccn1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 ZINC000070974871 203085230 /nfs/dbraw/zinc/08/52/30/203085230.db2.gz MDVPNLRFEXDPKL-UHFFFAOYSA-N 0 0 335.371 1.020 10 0 EDAERN C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cnc1NN ZINC000071209944 203089088 /nfs/dbraw/zinc/08/90/88/203089088.db2.gz JEENLBLPUYPGHJ-IONNQARKSA-N 0 0 349.254 1.597 10 0 EDAERN O=C(CCN1C(=O)CCC1=O)Nc1cc(-c2c(F)cccc2F)n[nH]1 ZINC000069436000 203078272 /nfs/dbraw/zinc/07/82/72/203078272.db2.gz JXCXXQHWJCUMGO-UHFFFAOYSA-N 0 0 348.309 1.833 10 0 EDAERN CCOC(=O)[C@@H]1CCCc2sc3nc(C)n(CCO)c(=O)c3c21 ZINC000071525282 203098329 /nfs/dbraw/zinc/09/83/29/203098329.db2.gz RDNDJSVXKIUQHX-SNVBAGLBSA-N 0 0 336.413 1.742 10 0 EDAERN CCOC(=O)c1csc2ncn(CC(=O)OCC(C)C)c(=O)c12 ZINC000071526200 203098500 /nfs/dbraw/zinc/09/85/00/203098500.db2.gz CSFJGVFVJHRHRR-UHFFFAOYSA-N 0 0 338.385 1.834 10 0 EDAERN COC(=O)[C@@H](C)CN(CCCNC(C)=O)C(=O)c1ccc(C)cc1 ZINC000071607868 203099330 /nfs/dbraw/zinc/09/93/30/203099330.db2.gz DPCWVOPSXPVCRM-AWEZNQCLSA-N 0 0 334.416 1.773 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1nc2ccccn2c1C[NH+](C)C)C(=O)[O-] ZINC000071543147 203099958 /nfs/dbraw/zinc/09/99/58/203099958.db2.gz QRKQYCZHCQZTSG-FZMZJTMJSA-N 0 0 332.404 1.625 10 0 EDAERN CCc1cccc(OCC(=O)N(CCC(=O)OC)[C@H](CC)CO)c1 ZINC000071634404 203100733 /nfs/dbraw/zinc/10/07/33/203100733.db2.gz QVHXFOVBONYTBY-OAHLLOKOSA-N 0 0 337.416 1.790 10 0 EDAERN CCOC(=O)CCN(C[C@H](C)O)C(=O)c1cc2ccccc2oc1=O ZINC000071638086 203101540 /nfs/dbraw/zinc/10/15/40/203101540.db2.gz DWIWOPYVEQSBQE-LBPRGKRZSA-N 0 0 347.367 1.569 10 0 EDAERN CCOC(=O)C[C@H](N[C@@H](CC)CO)C(=O)c1ccc(F)c(F)c1 ZINC000071660704 203101762 /nfs/dbraw/zinc/10/17/62/203101762.db2.gz XYYDBKBRYNIUSQ-FZMZJTMJSA-N 0 0 329.343 1.830 10 0 EDAERN CCOC(=O)C[C@@H](N[C@H](CC)CO)C(=O)c1ccc(F)c(C)c1 ZINC000071660353 203102193 /nfs/dbraw/zinc/10/21/93/203102193.db2.gz CUUYABFCUPZIEO-UKRRQHHQSA-N 0 0 325.380 1.999 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1-n1ccc(C(N)=O)n1 ZINC000191768814 138923580 /nfs/dbraw/zinc/92/35/80/138923580.db2.gz CLOKONOMJXKWOD-NEPJUHHUSA-N 0 0 328.372 1.725 10 0 EDAERN CN(C)c1nccc(NC(=O)CCc2nncn2-c2ccccc2)n1 ZINC000074957308 203298698 /nfs/dbraw/zinc/29/86/98/203298698.db2.gz JTJBKWRWXJPXIL-UHFFFAOYSA-N 0 0 337.387 1.695 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)ccc1Cl ZINC000192586143 138948563 /nfs/dbraw/zinc/94/85/63/138948563.db2.gz OSQNUVCDOMLNCH-JOYOIKCWSA-N 0 0 326.780 1.971 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1C(=O)N1CCCC1 ZINC000076099247 203338740 /nfs/dbraw/zinc/33/87/40/203338740.db2.gz MXRRTCOVRBATMS-GXTWGEPZSA-N 0 0 329.400 1.694 10 0 EDAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000076098182 203338950 /nfs/dbraw/zinc/33/89/50/203338950.db2.gz VVIHWMDGFXEHQQ-XCBNKYQSSA-N 0 0 327.178 1.921 10 0 EDAERN COc1cccc2c1OCCCN(Cc1ccc(C(N)=O)c(=O)[nH]1)C2 ZINC000077439839 203388814 /nfs/dbraw/zinc/38/88/14/203388814.db2.gz IIAALKHTAYZTOE-UHFFFAOYSA-N 0 0 343.383 1.267 10 0 EDAERN C[C@H](NC(=O)NCCCCCO)c1ccc(S(C)(=O)=O)cc1 ZINC000193015712 138958825 /nfs/dbraw/zinc/95/88/25/138958825.db2.gz TYSJKEFJEASXBV-LBPRGKRZSA-N 0 0 328.434 1.613 10 0 EDAERN C[C@H](C(=O)Oc1ccc(F)cc1Br)S(C)(=O)=O ZINC000077926017 203406788 /nfs/dbraw/zinc/40/67/88/203406788.db2.gz VHXRYXFZHCFWFQ-ZCFIWIBFSA-N 0 0 325.155 1.927 10 0 EDAERN CCC(C)(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000193661499 138975408 /nfs/dbraw/zinc/97/54/08/138975408.db2.gz AXQOWHFZVXUBFW-IAGOWNOFSA-N 0 0 332.444 1.972 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000088280937 203563223 /nfs/dbraw/zinc/56/32/23/203563223.db2.gz BPIOIJZILIASJA-CYBMUJFWSA-N 0 0 338.375 1.081 10 0 EDAERN COc1ccccc1-n1cc(I)c(N)nc1=O ZINC000091692388 203646985 /nfs/dbraw/zinc/64/69/85/203646985.db2.gz DZQSKCVTZFQCDI-UHFFFAOYSA-N 0 0 343.124 1.428 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCOC(N)=O)c(Br)c1 ZINC000095984599 203785236 /nfs/dbraw/zinc/78/52/36/203785236.db2.gz LVSDWNNAGMYCBW-UHFFFAOYSA-N 0 0 337.195 1.131 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000103359971 204075934 /nfs/dbraw/zinc/07/59/34/204075934.db2.gz YFQMRCLPNVGADV-LBPRGKRZSA-N 0 0 328.434 1.937 10 0 EDAERN CC[C@]1(c2ccc(NC(=O)[C@@H](C)COC)cc2)CCC(=O)NC1=O ZINC000103431797 204078344 /nfs/dbraw/zinc/07/83/44/204078344.db2.gz YRGBKISDKLGNOK-KPZWWZAWSA-N 0 0 332.400 1.992 10 0 EDAERN COC[C@H](C)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000103433240 204079102 /nfs/dbraw/zinc/07/91/02/204079102.db2.gz RMOKUZYCSBCJMK-HNNXBMFYSA-N 0 0 333.432 1.124 10 0 EDAERN CN1CCc2nc(NC(=O)c3cccc4c3OCC(=O)N4)sc2C1 ZINC000104290659 204104594 /nfs/dbraw/zinc/10/45/94/204104594.db2.gz FRUAPVKIKOBOQE-UHFFFAOYSA-N 0 0 344.396 1.714 10 0 EDAERN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1COc2ccccc21 ZINC000194863025 139001481 /nfs/dbraw/zinc/00/14/81/139001481.db2.gz MDYHHRQSYHAIJG-OAHLLOKOSA-N 0 0 337.383 1.924 10 0 EDAERN C[C@@H](C(=O)NCc1ccccc1)N1CCCN(c2cccnn2)CC1 ZINC000105798184 204160574 /nfs/dbraw/zinc/16/05/74/204160574.db2.gz MYILKVYAMINKRO-INIZCTEOSA-N 0 0 339.443 1.694 10 0 EDAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801369 204160589 /nfs/dbraw/zinc/16/05/89/204160589.db2.gz DFSQLHLZTGTDNP-GOEBONIOSA-N 0 0 333.480 1.990 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805345 204163438 /nfs/dbraw/zinc/16/34/38/204163438.db2.gz HEXIVEXEPOREFB-CQSZACIVSA-N 0 0 335.452 1.284 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)C2)c1 ZINC000105859628 204170780 /nfs/dbraw/zinc/17/07/80/204170780.db2.gz WPWCQBRCGIIUJS-CQSZACIVSA-N 0 0 339.399 1.698 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CCS(=O)(=O)CC(C)C)C2)c1 ZINC000105859566 204171404 /nfs/dbraw/zinc/17/14/04/204171404.db2.gz FZCVTRZEXRKVTQ-OAHLLOKOSA-N 0 0 341.477 1.816 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccccc3)CCO2)c1 ZINC000105891598 204176595 /nfs/dbraw/zinc/17/65/95/204176595.db2.gz KNVOMLLJNNWEGI-KRWDZBQOSA-N 0 0 328.416 1.209 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1ccc(Cl)cc1 ZINC000105888945 204176771 /nfs/dbraw/zinc/17/67/71/204176771.db2.gz BAMQDRJNZXLNFH-OAHLLOKOSA-N 0 0 334.807 1.876 10 0 EDAERN O=C(NCc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 ZINC000107207192 204228802 /nfs/dbraw/zinc/22/88/02/204228802.db2.gz GCPKENLVOIWBDZ-OAGGEKHMSA-N 0 0 339.399 1.314 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCCN1c2ccccc2C[C@H]1C)C(C)C ZINC000108262984 204257588 /nfs/dbraw/zinc/25/75/88/204257588.db2.gz BDDCEIIXCVIIBH-CZUORRHYSA-N 0 0 333.432 1.934 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000109284744 204280789 /nfs/dbraw/zinc/28/07/89/204280789.db2.gz PIXLKWKIYHKPPU-UHFFFAOYSA-N 0 0 335.839 1.922 10 0 EDAERN NS(=O)(=O)CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000043567006 204285187 /nfs/dbraw/zinc/28/51/87/204285187.db2.gz PECHIHKQFVWXLH-UHFFFAOYSA-N 0 0 328.287 1.253 10 0 EDAERN NS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(O)c(Cl)c2)c1 ZINC000043480124 204275869 /nfs/dbraw/zinc/27/58/69/204275869.db2.gz GWZFAMTYVHIPBL-UHFFFAOYSA-N 0 0 326.805 1.983 10 0 EDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000195040027 139005408 /nfs/dbraw/zinc/00/54/08/139005408.db2.gz SMIRIJVLPRXCOY-MRXNPFEDSA-N 0 0 336.457 1.542 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000152406216 204303366 /nfs/dbraw/zinc/30/33/66/204303366.db2.gz JOZMYKYZYAHIQJ-CYBMUJFWSA-N 0 0 329.404 1.452 10 0 EDAERN C[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)n1ncc(Cl)c1N ZINC000044494002 204303601 /nfs/dbraw/zinc/30/36/01/204303601.db2.gz WVYKRIXCWSCIAH-SECBINFHSA-N 0 0 328.825 1.978 10 0 EDAERN CCCNC(=O)[C@@H](C)NC(=O)c1cc(N)ccc1Br ZINC000045624722 204328145 /nfs/dbraw/zinc/32/81/45/204328145.db2.gz BHYMEGVPRNDPMU-MRVPVSSYSA-N 0 0 328.210 1.676 10 0 EDAERN CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111086525 204335535 /nfs/dbraw/zinc/33/55/35/204335535.db2.gz RYNWTEUGDSJJRZ-MRXNPFEDSA-N 0 0 342.399 1.126 10 0 EDAERN COC[C@H](C)N(C)CC(=O)Nc1ccc(N)cc1Br ZINC000049025973 204361552 /nfs/dbraw/zinc/36/15/52/204361552.db2.gz WYOPMDXYTNJLRO-VIFPVBQESA-N 0 0 330.226 1.937 10 0 EDAERN COC(=O)CCS(=O)(=O)N(CCC(N)=S)c1ccccc1 ZINC000049063219 204367256 /nfs/dbraw/zinc/36/72/56/204367256.db2.gz WBNGVWZSKDCGHP-UHFFFAOYSA-N 0 0 330.431 1.062 10 0 EDAERN CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)c(N)c1 ZINC000049191708 204373473 /nfs/dbraw/zinc/37/34/73/204373473.db2.gz WSSJPJNSNOPBBI-QMMMGPOBSA-N 0 0 328.210 1.676 10 0 EDAERN CCn1cc(C2CCN([C@H]3CCN(c4cnn(C)c4)C3=O)CC2)cn1 ZINC000111212228 204340973 /nfs/dbraw/zinc/34/09/73/204340973.db2.gz NNUNVXYXACQXDG-KRWDZBQOSA-N 0 0 342.447 1.621 10 0 EDAERN COc1ccccc1CC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112063420 204381234 /nfs/dbraw/zinc/38/12/34/204381234.db2.gz SZQOHFMFYPZTMK-INIZCTEOSA-N 0 0 329.400 1.670 10 0 EDAERN Cc1ccc(NC(=O)C2CCN(Cc3nnnn3C(C)C)CC2)nc1 ZINC000195102956 139007020 /nfs/dbraw/zinc/00/70/20/139007020.db2.gz PIPPOHIDEBZGHH-UHFFFAOYSA-N 0 0 343.435 1.808 10 0 EDAERN CSC1(CNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000195144528 139007810 /nfs/dbraw/zinc/00/78/10/139007810.db2.gz LFCYLUVGJLTTMD-CYBMUJFWSA-N 0 0 335.477 1.982 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116116958 204521407 /nfs/dbraw/zinc/52/14/07/204521407.db2.gz ZNYWYRZQGSUVLG-MRXNPFEDSA-N 0 0 338.411 1.852 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@@H](C)c1cccs1 ZINC000195519890 139019810 /nfs/dbraw/zinc/01/98/10/139019810.db2.gz BPDYYJAMKRFXHQ-NSHDSACASA-N 0 0 341.458 1.757 10 0 EDAERN CCOCCC1(C(=O)N[C@H]2CCCn3nc(COC)nc32)CCC1 ZINC000153145214 204579660 /nfs/dbraw/zinc/57/96/60/204579660.db2.gz VNWDZOGOUVEFIF-ZDUSSCGKSA-N 0 0 336.436 1.973 10 0 EDAERN O=C(c1cc(Cl)ccc1Br)N1CCO[C@H](CO)C1 ZINC000225903840 139021625 /nfs/dbraw/zinc/02/16/25/139021625.db2.gz XLLYSHMCMGKPDV-VIFPVBQESA-N 0 0 334.597 1.936 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C)nc3)C2)no1 ZINC000120591482 204744715 /nfs/dbraw/zinc/74/47/15/204744715.db2.gz KFPGKIJWCGWOAK-ZDUSSCGKSA-N 0 0 343.387 1.501 10 0 EDAERN O=C(c1ccccc1-n1cnnn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121226277 204787103 /nfs/dbraw/zinc/78/71/03/204787103.db2.gz LKJAPUAVSJLHFP-SUMWQHHRSA-N 0 0 327.388 1.430 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000163584204 284319533 /nfs/dbraw/zinc/31/95/33/284319533.db2.gz JZEZAMJUJUWHPO-CQSZACIVSA-N 0 0 348.374 1.659 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(F)(F)F ZINC000125163786 204996126 /nfs/dbraw/zinc/99/61/26/204996126.db2.gz IHRBFFSUVOTPCY-MRVPVSSYSA-N 0 0 349.334 1.134 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccsc3)C2)no1 ZINC000125817266 205027291 /nfs/dbraw/zinc/02/72/91/205027291.db2.gz WYFJUZCDHKDBPR-NSHDSACASA-N 0 0 334.401 1.859 10 0 EDAERN CNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000110987627 220086975 /nfs/dbraw/zinc/08/69/75/220086975.db2.gz CBTDMLUHGQIOKI-OLZOCXBDSA-N 0 0 332.404 1.181 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)CN2CCCS2(=O)=O)o1 ZINC000127654367 205110830 /nfs/dbraw/zinc/11/08/30/205110830.db2.gz IQAVGJLHHPOXSR-ZDUSSCGKSA-N 0 0 326.418 1.677 10 0 EDAERN CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127512583 205104832 /nfs/dbraw/zinc/10/48/32/205104832.db2.gz BEZHHTDUMQAOMC-ZDUSSCGKSA-N 0 0 337.424 1.432 10 0 EDAERN CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000129263069 205186052 /nfs/dbraw/zinc/18/60/52/205186052.db2.gz KWAMMDBDZFGUSQ-CQSZACIVSA-N 0 0 343.387 1.657 10 0 EDAERN O=C(C[C@@H]1CSCCS1)N1CCO[C@H](Cn2cccn2)C1 ZINC000130944985 205265954 /nfs/dbraw/zinc/26/59/54/205265954.db2.gz IKMSMUDTEIHVNN-QWHCGFSZSA-N 0 0 327.475 1.349 10 0 EDAERN Cn1nccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000131463744 205288598 /nfs/dbraw/zinc/28/85/98/205288598.db2.gz LZEZELVELHCVDB-GDBMZVCRSA-N 0 0 330.363 1.395 10 0 EDAERN CC(C)(C)N(CCS(C)(=O)=O)C[C@@H](O)COCc1ccccc1 ZINC000131510130 205291675 /nfs/dbraw/zinc/29/16/75/205291675.db2.gz UTWMVWZIIMAJLX-MRXNPFEDSA-N 0 0 343.489 1.709 10 0 EDAERN CC(C)(C)N(CCS(C)(=O)=O)C[C@H](O)COCc1ccccc1 ZINC000131550102 205293345 /nfs/dbraw/zinc/29/33/45/205293345.db2.gz UTWMVWZIIMAJLX-INIZCTEOSA-N 0 0 343.489 1.709 10 0 EDAERN CC[C@H](C)Oc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000132976225 205351372 /nfs/dbraw/zinc/35/13/72/205351372.db2.gz VOCBKPZNVPDWCK-HOCLYGCPSA-N 0 0 336.432 1.287 10 0 EDAERN COC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C ZINC000133209831 205360919 /nfs/dbraw/zinc/36/09/19/205360919.db2.gz MGTFEUQIPNKZGS-SNVBAGLBSA-N 0 0 326.418 1.657 10 0 EDAERN CC(C)[C@@H](C)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000134164882 205394737 /nfs/dbraw/zinc/39/47/37/205394737.db2.gz SBJHABRLFDDWJC-GFCCVEGCSA-N 0 0 338.429 1.637 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 ZINC000134669204 205420829 /nfs/dbraw/zinc/42/08/29/205420829.db2.gz PZHYXLPNKWTNFM-AWEZNQCLSA-N 0 0 341.415 1.788 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCc3ccc(C(N)=O)cc3)C2)c1 ZINC000111823454 220200386 /nfs/dbraw/zinc/20/03/86/220200386.db2.gz XLOVKYGZEQOSSC-INIZCTEOSA-N 0 0 341.415 1.837 10 0 EDAERN COc1ccccc1C(=O)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151400999 205638491 /nfs/dbraw/zinc/63/84/91/205638491.db2.gz FTUCCHRQEQHEPK-IFXJQAMLSA-N 0 0 346.427 1.579 10 0 EDAERN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245410553 139072644 /nfs/dbraw/zinc/07/26/44/139072644.db2.gz RNXLDWDNQUQNCF-HOCLYGCPSA-N 0 0 348.447 1.738 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000245428181 139074164 /nfs/dbraw/zinc/07/41/64/139074164.db2.gz WSKGTRKGCQEBPQ-QZTJIDSGSA-N 0 0 349.450 1.627 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000245464253 139075968 /nfs/dbraw/zinc/07/59/68/139075968.db2.gz PHJVXJGOCZTLBX-ARFHVFGLSA-N 0 0 349.431 1.398 10 0 EDAERN CN1CC[C@H](NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)C1=O ZINC000245588167 139080168 /nfs/dbraw/zinc/08/01/68/139080168.db2.gz ARDFTVYTNJUHGQ-OWCLPIDISA-N 0 0 331.416 1.515 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@@H](O)c2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000245602669 139080611 /nfs/dbraw/zinc/08/06/11/139080611.db2.gz JFAXJRULRGRRII-KBRIMQKVSA-N 0 0 336.407 1.428 10 0 EDAERN CCCCn1nccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000155239502 205996111 /nfs/dbraw/zinc/99/61/11/205996111.db2.gz RWDAFKIEOAFZRD-KDOFPFPSSA-N 0 0 348.447 1.775 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000155627328 206021650 /nfs/dbraw/zinc/02/16/50/206021650.db2.gz CQVWMCDZLBPOSM-NSHDSACASA-N 0 0 328.727 1.582 10 0 EDAERN CC(C)[C@@H](O)CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000155977270 206047610 /nfs/dbraw/zinc/04/76/10/206047610.db2.gz BIYNEKHROCVDTD-INIZCTEOSA-N 0 0 334.416 1.433 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000156470372 206080002 /nfs/dbraw/zinc/08/00/02/206080002.db2.gz FITUKJJJHLCZGF-MRXNPFEDSA-N 0 0 341.415 1.351 10 0 EDAERN CN(C)c1ccnc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000156567965 206086612 /nfs/dbraw/zinc/08/66/12/206086612.db2.gz MAHGDRXYWSELGC-ZDUSSCGKSA-N 0 0 326.404 1.336 10 0 EDAERN CCN1CC(=O)N(Cc2cccc(F)c2Br)CC1=O ZINC000158101821 206173589 /nfs/dbraw/zinc/17/35/89/206173589.db2.gz MHHKWRVEMZYMPS-UHFFFAOYSA-N 0 0 329.169 1.779 10 0 EDAERN CCn1ncc(NC2CCS(=O)CC2)c(Br)c1=O ZINC000158661022 206204508 /nfs/dbraw/zinc/20/45/08/206204508.db2.gz RGUWQYNEDDCANX-UHFFFAOYSA-N 0 0 334.239 1.349 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000159078053 206225110 /nfs/dbraw/zinc/22/51/10/206225110.db2.gz JCTVZDNDWYBWII-XIKOKIGWSA-N 0 0 328.368 1.348 10 0 EDAERN COc1cc(N)c(Cl)cc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246220551 139099804 /nfs/dbraw/zinc/09/98/04/139099804.db2.gz GRRQJHVQGUUKIR-MNOVXSKESA-N 0 0 341.839 1.458 10 0 EDAERN Cc1ccc(C)c(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000246601712 139114641 /nfs/dbraw/zinc/11/46/41/139114641.db2.gz XLSFELGWZYAYAD-AEFFLSMTSA-N 0 0 331.460 1.894 10 0 EDAERN CN(C)c1cccc([C@@H]2CCCN2C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000246614551 139115065 /nfs/dbraw/zinc/11/50/65/139115065.db2.gz AVBVISNCLAICQY-ROUUACIJSA-N 0 0 346.475 1.930 10 0 EDAERN CNc1ncc(Br)cc1S(=O)(=O)NC[C@@H]1C[C@H]1C ZINC000160045586 206276863 /nfs/dbraw/zinc/27/68/63/206276863.db2.gz XEBLBHOZBPGBFA-SFYZADRCSA-N 0 0 334.239 1.820 10 0 EDAERN C[C@@H](C(=O)N1[C@H](C)COC[C@@H]1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000246862269 139124600 /nfs/dbraw/zinc/12/46/00/139124600.db2.gz DSVSDAWKLQPUII-XHSDSOJGSA-N 0 0 349.450 1.972 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](C)c2nnc3n2CCCC3)C1 ZINC000247055368 139133612 /nfs/dbraw/zinc/13/36/12/139133612.db2.gz MHZNINSWARYBEP-RWMBFGLXSA-N 0 0 334.420 1.771 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)c2nnc3n2CCCC3)C1 ZINC000247055388 139133668 /nfs/dbraw/zinc/13/36/68/139133668.db2.gz MHZNINSWARYBEP-YNEHKIRRSA-N 0 0 334.420 1.771 10 0 EDAERN CO[C@]1(CNc2nc(Br)cn3ccnc23)CCOC1 ZINC000161058305 206324831 /nfs/dbraw/zinc/32/48/31/206324831.db2.gz PCBULXLPUWNVRR-LBPRGKRZSA-N 0 0 327.182 1.709 10 0 EDAERN COC(=O)c1sccc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000161888446 206375442 /nfs/dbraw/zinc/37/54/42/206375442.db2.gz DAHJNJKYVADILD-SNVBAGLBSA-N 0 0 335.389 1.995 10 0 EDAERN COC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000163211234 206441190 /nfs/dbraw/zinc/44/11/90/206441190.db2.gz ZXTGOOQXQSYGIR-MFKMUULPSA-N 0 0 340.807 1.772 10 0 EDAERN CC1(C)CN(S(=O)(=O)c2cccc(F)c2C(N)=S)CCS1 ZINC000158771174 206539616 /nfs/dbraw/zinc/53/96/16/206539616.db2.gz GBSIIERBAOGOFA-UHFFFAOYSA-N 0 0 348.490 1.976 10 0 EDAERN CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nccs1 ZINC000169871408 206566765 /nfs/dbraw/zinc/56/67/65/206566765.db2.gz SRFLEVIBUTUGJX-LLVKDONJSA-N 0 0 343.405 1.978 10 0 EDAERN COC(=O)N[C@H](C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)C(C)C ZINC000170991271 206643501 /nfs/dbraw/zinc/64/35/01/206643501.db2.gz NODBDCZXVDQSRR-YPMHNXCESA-N 0 0 337.424 1.213 10 0 EDAERN Cc1cc(Br)cnc1NC1CCN(CC(N)=O)CC1 ZINC000094050632 218262364 /nfs/dbraw/zinc/26/23/64/218262364.db2.gz VJIIYILSHZAWHC-UHFFFAOYSA-N 0 0 327.226 1.514 10 0 EDAERN Cc1nc(C[C@@H]2CCCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)no1 ZINC000249905381 139200038 /nfs/dbraw/zinc/20/00/38/139200038.db2.gz UVBCNFSRYAKBPA-BLLLJJGKSA-N 0 0 332.379 1.998 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)NCc3ccoc3)CC2)n1 ZINC000172255526 206806763 /nfs/dbraw/zinc/80/67/63/206806763.db2.gz HNQXUULCFTTWCU-UHFFFAOYSA-N 0 0 331.376 1.500 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000172292823 206810125 /nfs/dbraw/zinc/81/01/25/206810125.db2.gz NGBUXZVWTJLKLQ-CYBMUJFWSA-N 0 0 339.440 1.746 10 0 EDAERN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2c(N)cccc21 ZINC000261746209 139222484 /nfs/dbraw/zinc/22/24/84/139222484.db2.gz JDSCKNYKDCYCEP-CHWSQXEVSA-N 0 0 330.432 1.134 10 0 EDAERN CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000172602522 206849214 /nfs/dbraw/zinc/84/92/14/206849214.db2.gz HNDPKSSXOCPBPP-AWEZNQCLSA-N 0 0 329.404 1.833 10 0 EDAERN CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCN1C[C@@H](C)O ZINC000174605763 207036834 /nfs/dbraw/zinc/03/68/34/207036834.db2.gz JRKIZYHGZXUFJI-CABCVRRESA-N 0 0 343.431 1.185 10 0 EDAERN CCOC(=O)C1(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000174651222 207042244 /nfs/dbraw/zinc/04/22/44/207042244.db2.gz XAFVVTMVSKJIPY-MRXNPFEDSA-N 0 0 346.427 1.208 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)[C@H](O)c3ccccc3)CC2)nn1 ZINC000174649031 207042341 /nfs/dbraw/zinc/04/23/41/207042341.db2.gz UZNXOFJWHWUJSQ-QGZVFWFLSA-N 0 0 326.400 1.557 10 0 EDAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000174929480 207074925 /nfs/dbraw/zinc/07/49/25/207074925.db2.gz JSPDTYWWQCHVDQ-RRFJBIMHSA-N 0 0 346.431 1.541 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccccc3)C2=O)n(C)n1 ZINC000174973098 207079147 /nfs/dbraw/zinc/07/91/47/207079147.db2.gz LQFGVAXEWHUAST-MRXNPFEDSA-N 0 0 340.427 1.973 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccccc3C)C2=O)n(C)n1 ZINC000174974248 207079369 /nfs/dbraw/zinc/07/93/69/207079369.db2.gz GTATUKJDYQLFCY-INIZCTEOSA-N 0 0 340.427 1.891 10 0 EDAERN CN1CC[C@H](NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)C1=O ZINC000175193694 207102561 /nfs/dbraw/zinc/10/25/61/207102561.db2.gz ARDFTVYTNJUHGQ-JYJNAYRXSA-N 0 0 331.416 1.515 10 0 EDAERN C[C@H](O)CC(C)(C)CNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000175562069 207138645 /nfs/dbraw/zinc/13/86/45/207138645.db2.gz OYOBEFUTGOOXMR-ZDUSSCGKSA-N 0 0 335.452 1.860 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(CO)c(F)c1 ZINC000175737739 207154887 /nfs/dbraw/zinc/15/48/87/207154887.db2.gz CMJUEEUBQOCJRC-CQSZACIVSA-N 0 0 333.367 1.552 10 0 EDAERN COc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000175863733 207167595 /nfs/dbraw/zinc/16/75/95/207167595.db2.gz YZHQURPQNXZKRO-KGLIPLIRSA-N 0 0 345.403 1.463 10 0 EDAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000175979031 207179178 /nfs/dbraw/zinc/17/91/78/207179178.db2.gz QPXZXPHIHFDGLI-ZDUSSCGKSA-N 0 0 332.379 1.802 10 0 EDAERN CC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1 ZINC000096296400 218740239 /nfs/dbraw/zinc/74/02/39/218740239.db2.gz WQSFASXACQQXJF-ZDUSSCGKSA-N 0 0 329.356 1.356 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)NCc2cc(C(N)=O)co2)no1 ZINC000187980686 272953914 /nfs/dbraw/zinc/95/39/14/272953914.db2.gz BDVJKMYBTMKMOG-GFCCVEGCSA-N 0 0 347.375 1.932 10 0 EDAERN O=C(NCCNC(=O)c1ccccc1F)N[C@@H]1CCCC[C@H]1CO ZINC000175991324 207181687 /nfs/dbraw/zinc/18/16/87/207181687.db2.gz XJDMVGMUKMVILH-SWLSCSKDSA-N 0 0 337.395 1.406 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)C)C1 ZINC000175989462 207179680 /nfs/dbraw/zinc/17/96/80/207179680.db2.gz OMBQNHKWLHLXDL-ZDUSSCGKSA-N 0 0 349.435 1.310 10 0 EDAERN C[C@H](SC[C@H](O)CO)C(=O)Nc1cccc(Br)c1 ZINC000177413650 207332522 /nfs/dbraw/zinc/33/25/22/207332522.db2.gz QCYCGWHPOQIFNT-GZMMTYOYSA-N 0 0 334.235 1.863 10 0 EDAERN COC[C@H](C)C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000177517154 207347105 /nfs/dbraw/zinc/34/71/05/207347105.db2.gz FJTADUBGNIUKJP-JSGCOSHPSA-N 0 0 343.420 1.624 10 0 EDAERN C[C@@H](SC[C@H](O)CO)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000177445003 207337025 /nfs/dbraw/zinc/33/70/25/207337025.db2.gz GCICVXGVPXREEO-NXEZZACHSA-N 0 0 335.828 1.912 10 0 EDAERN C[C@@H](NC(=O)N1CCN(C)C(=O)C1)c1ccccc1Br ZINC000152921831 224032244 /nfs/dbraw/zinc/03/22/44/224032244.db2.gz YHZIUILAJVNLMQ-SNVBAGLBSA-N 0 0 340.221 1.994 10 0 EDAERN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177732177 207385621 /nfs/dbraw/zinc/38/56/21/207385621.db2.gz BIKVZBSTIKLCFX-HUUCEWRRSA-N 0 0 342.399 1.516 10 0 EDAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000177761685 207391111 /nfs/dbraw/zinc/39/11/11/207391111.db2.gz SQCLWIZADMMXPR-JKSUJKDBSA-N 0 0 332.448 1.913 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000179221861 207593413 /nfs/dbraw/zinc/59/34/13/207593413.db2.gz QADHKAQKEILUGP-GFCCVEGCSA-N 0 0 327.331 1.708 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)CCN(C)c1ccccc1 ZINC000107612391 207919677 /nfs/dbraw/zinc/91/96/77/207919677.db2.gz YDVXDKCHQOGVRG-CQSZACIVSA-N 0 0 329.400 1.993 10 0 EDAERN Cc1ccc(NC(=O)[C@@H]2CC(F)(F)CN2)cc1N1C(=O)CCC1=O ZINC000263246688 139330785 /nfs/dbraw/zinc/33/07/85/139330785.db2.gz PJYRPTMLXYSRNW-NSHDSACASA-N 0 0 337.326 1.584 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)CC2 ZINC000114867162 220770947 /nfs/dbraw/zinc/77/09/47/220770947.db2.gz SGXXGAGMPAKZLV-WCQYABFASA-N 0 0 332.379 1.878 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000117279367 221041060 /nfs/dbraw/zinc/04/10/60/221041060.db2.gz YVUAWMMGIRARJQ-CQSZACIVSA-N 0 0 333.432 1.828 10 0 EDAERN COCCN1CCN(C(=O)Nc2cccnc2N2CCCC2)C[C@@H]1C ZINC000117398220 221060014 /nfs/dbraw/zinc/06/00/14/221060014.db2.gz OUHRKNMPCITGFR-HNNXBMFYSA-N 0 0 347.463 1.866 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000117368623 221057372 /nfs/dbraw/zinc/05/73/72/221057372.db2.gz FDNCCGCUGXCSQM-AWEZNQCLSA-N 0 0 342.461 1.427 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000117521633 221073317 /nfs/dbraw/zinc/07/33/17/221073317.db2.gz YTYGNYGMJXHLSE-INIZCTEOSA-N 0 0 347.459 1.811 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)C[C@@H]1C ZINC000117522914 221074356 /nfs/dbraw/zinc/07/43/56/221074356.db2.gz MHCFHCKTTHCOOR-NSHDSACASA-N 0 0 341.358 1.082 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC000117477829 221068244 /nfs/dbraw/zinc/06/82/44/221068244.db2.gz WMYKUTRLIADXLU-SJORKVTESA-N 0 0 348.491 1.873 10 0 EDAERN Cc1cnn(CCNC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000118056729 221109565 /nfs/dbraw/zinc/10/95/65/221109565.db2.gz ORIBJHSKXSQFIC-HUUCEWRRSA-N 0 0 337.468 1.379 10 0 EDAERN C[C@@H]1CCC[C@H](C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)C1 ZINC000118952737 221210361 /nfs/dbraw/zinc/21/03/61/221210361.db2.gz HVSQJONEWJVXEN-CABCVRRESA-N 0 0 347.463 1.422 10 0 EDAERN CN(C[C@@H]1CCCN1c1cccnn1)c1nccc2c(=O)[nH]cnc21 ZINC000570581303 306545526 /nfs/dbraw/zinc/54/55/26/306545526.db2.gz NHLUAXNTSSAUKO-LBPRGKRZSA-N 0 0 337.387 1.626 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](C)CC(C)(C)OC)CCO2)[nH]1 ZINC000119314677 221291650 /nfs/dbraw/zinc/29/16/50/221291650.db2.gz WAPIWONXZQMQGO-NEPJUHHUSA-N 0 0 339.440 1.654 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N(C)C)nc1 ZINC000155248328 533285438 /nfs/dbraw/zinc/28/54/38/533285438.db2.gz KMJDBVMPTANVRL-LBPRGKRZSA-N 0 0 330.392 1.150 10 0 EDAERN Cc1cc(CNC(=O)c2ccccc2N2CCC(=O)NC2=O)[nH]n1 ZINC000055252445 132194363 /nfs/dbraw/zinc/19/43/63/132194363.db2.gz HMFYVPUBOAECRD-UHFFFAOYSA-N 0 0 327.344 1.094 10 0 EDAERN C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1CCN2CCOC[C@H]2C1 ZINC000329470149 140730033 /nfs/dbraw/zinc/73/00/33/140730033.db2.gz XZLZQJDYJCRHKS-CZUORRHYSA-N 0 0 346.406 1.877 10 0 EDAERN COc1ccc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1-c1ccn(C)n1 ZINC000329973728 140789616 /nfs/dbraw/zinc/78/96/16/140789616.db2.gz YTVNFPTZPNAGMU-TZMCWYRMSA-N 0 0 345.399 1.318 10 0 EDAERN C[C@H]1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@@H]1O ZINC000333014079 141250108 /nfs/dbraw/zinc/25/01/08/141250108.db2.gz BTKZWGCMOHPXDF-WFASDCNBSA-N 0 0 333.413 1.535 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]12CCOC2 ZINC000333029013 141252686 /nfs/dbraw/zinc/25/26/86/141252686.db2.gz BUKLITACSLWHOP-APWZRJJASA-N 0 0 346.427 1.459 10 0 EDAERN COC[C@H](NC(=O)N1CC[C@H](Oc2ccncc2)C1)[C@H]1CCCO1 ZINC000333050448 141255594 /nfs/dbraw/zinc/25/55/94/141255594.db2.gz QDVYSJQBZJQCRY-HRCADAONSA-N 0 0 335.404 1.438 10 0 EDAERN O=C(NC[C@@H]1CCOC2(CCC2)C1)[C@@H]1COCCN1CC1CCC1 ZINC000333131110 141269051 /nfs/dbraw/zinc/26/90/51/141269051.db2.gz WYLZJIPDDGVIKC-SJORKVTESA-N 0 0 336.476 1.953 10 0 EDAERN C[C@H](NS(=O)(=O)c1cnc2ccccc2c1)C(=O)N1CCCCC1 ZINC000333157495 141273225 /nfs/dbraw/zinc/27/32/25/141273225.db2.gz HRPNDJWSSLZVDW-ZDUSSCGKSA-N 0 0 347.440 1.914 10 0 EDAERN Cc1nnc(CN(C)CC(=O)NC2CCC3(CCOCC3)CC2)n1C ZINC000333440761 141317462 /nfs/dbraw/zinc/31/74/62/141317462.db2.gz LSGBRCFYKBAFBZ-UHFFFAOYSA-N 0 0 349.479 1.411 10 0 EDAERN COc1cc([C@@H]2CC23C(=O)N(C)C(=O)N(C)C3=O)cc(OC)c1OC ZINC000001280487 286245738 /nfs/dbraw/zinc/24/57/38/286245738.db2.gz WBFVIHDUVVYWSN-JTQLQIEISA-N 0 0 348.355 1.237 10 0 EDAERN O=C([C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1)N1CC(O)(C2CC2)C1 ZINC000333183844 304396937 /nfs/dbraw/zinc/39/69/37/304396937.db2.gz SXKNUGVWKJBDAN-BMFZPTHFSA-N 0 0 342.443 1.597 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCC(O)(CC)CC)C12CCOCC2 ZINC000185699383 286481105 /nfs/dbraw/zinc/48/11/05/286481105.db2.gz IDDIWXWCJDSWBP-KGLIPLIRSA-N 0 0 328.453 1.811 10 0 EDAERN C[C@@H](CC(=O)N1CC(=O)N(Cc2ccccc2)C1)N1CCCCC1=O ZINC000328741778 161606055 /nfs/dbraw/zinc/60/60/55/161606055.db2.gz MMNKBBYXNIFFCO-HNNXBMFYSA-N 0 0 343.427 1.606 10 0 EDAERN COCCOc1cccc(CNC(=O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000051115659 287219448 /nfs/dbraw/zinc/21/94/48/287219448.db2.gz YYUDYCFYEJVWGC-GJZGRUSLSA-N 0 0 336.432 1.437 10 0 EDAERN CCc1cnc(CCNC(=O)NC[C@H](C)N2CCOCC2)s1 ZINC000073651883 287262929 /nfs/dbraw/zinc/26/29/29/287262929.db2.gz IAZFZYADOMLOCI-LBPRGKRZSA-N 0 0 326.466 1.268 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCO[C@@](C)(c3ccccc3)C2)C1 ZINC000120465749 287361534 /nfs/dbraw/zinc/36/15/34/287361534.db2.gz GJXZHFAQCDENLE-FUHWJXTLSA-N 0 0 333.432 1.274 10 0 EDAERN Nc1cc(Br)c(NS(N)(=O)=O)c(Br)c1 ZINC000167402412 226190149 /nfs/dbraw/zinc/19/01/49/226190149.db2.gz ABYMZXUMGJSPPS-UHFFFAOYSA-N 0 0 345.016 1.409 10 0 EDAERN O=c1c(I)c(Cl)ncn1Cc1ncccn1 ZINC000166353949 226155302 /nfs/dbraw/zinc/15/53/02/226155302.db2.gz YQAPGLFHZRBEKN-UHFFFAOYSA-N 0 0 348.531 1.340 10 0 EDAERN O=C(/C=C/c1cc(Br)ccc1F)N1CCOC[C@H]1CO ZINC000168610723 226219325 /nfs/dbraw/zinc/21/93/25/226219325.db2.gz MNETYLRJZZINTI-FXZDBVEHSA-N 0 0 344.180 1.821 10 0 EDAERN C[C@H]1CC(=O)N[C@@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168912258 226227774 /nfs/dbraw/zinc/22/77/74/226227774.db2.gz MMIPJPMVSWIIMU-IUCAKERBSA-N 0 0 326.194 1.470 10 0 EDAERN O=C1CCN(Cc2cncc(Br)c2)C(=O)[C@H](C2CC2)N1 ZINC000168917465 226228106 /nfs/dbraw/zinc/22/81/06/226228106.db2.gz KPDONUROIJRWOI-ZDUSSCGKSA-N 0 0 338.205 1.471 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3ccnn3)cc1)CC2 ZINC000127817073 287445239 /nfs/dbraw/zinc/44/52/39/287445239.db2.gz IOUQJFGICFIOLV-CYBMUJFWSA-N 0 0 337.387 1.166 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000120962344 221721150 /nfs/dbraw/zinc/72/11/50/221721150.db2.gz GFRCWXRSFBEECT-AWEZNQCLSA-N 0 0 341.415 1.780 10 0 EDAERN Cc1cc(C[C@H](C)NC(=O)N[C@H](C)c2nnc3n2CCCC3)[nH]n1 ZINC000122133826 222021881 /nfs/dbraw/zinc/02/18/81/222021881.db2.gz RIJIJPDSTKEJJU-CMPLNLGQSA-N 0 0 331.424 1.637 10 0 EDAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123159825 222226796 /nfs/dbraw/zinc/22/67/96/222226796.db2.gz JZYLYMCGILCQDF-JKSUJKDBSA-N 0 0 331.416 1.852 10 0 EDAERN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000123399509 222270140 /nfs/dbraw/zinc/27/01/40/222270140.db2.gz UFVFKSLAWBXOHJ-BXUZGUMPSA-N 0 0 326.418 1.879 10 0 EDAERN O=C(CCc1ccccc1O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000125099786 222521483 /nfs/dbraw/zinc/52/14/83/222521483.db2.gz XEPGYLRRJNZZOG-OAHLLOKOSA-N 0 0 326.400 1.900 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)Nc2nnc(C(F)F)s2)C[C@@H]1C ZINC000181765063 533682496 /nfs/dbraw/zinc/68/24/96/533682496.db2.gz QEWRONXDFOJHQW-JGVFFNPUSA-N 0 0 335.380 1.395 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190770582 272976177 /nfs/dbraw/zinc/97/61/77/272976177.db2.gz YQKNAIQGYWQTHO-CYBMUJFWSA-N 0 0 330.392 1.119 10 0 EDAERN CC(C)CCOC1CCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 ZINC000193438135 272993245 /nfs/dbraw/zinc/99/32/45/272993245.db2.gz NJFXMOAEIDCNMP-MRXNPFEDSA-N 0 0 341.496 1.944 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC000194280756 273001819 /nfs/dbraw/zinc/00/18/19/273001819.db2.gz HDPHNWOGSMOSDS-RYUDHWBXSA-N 0 0 349.435 1.994 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)c1cccs1 ZINC000088197515 267429923 /nfs/dbraw/zinc/42/99/23/267429923.db2.gz LSNVEULKCQDODI-LLVKDONJSA-N 0 0 347.444 1.673 10 0 EDAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N[C@]1(CO)CCOC1 ZINC000184255441 267675994 /nfs/dbraw/zinc/67/59/94/267675994.db2.gz KMFSWQDUMBESCC-OCCSQVGLSA-N 0 0 332.322 1.611 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cccc(Br)c2F)C1 ZINC000192215811 267821304 /nfs/dbraw/zinc/82/13/04/267821304.db2.gz DFYZIDPFGRCEME-UHFFFAOYSA-N 0 0 345.168 1.175 10 0 EDAERN CC(C)n1nnnc1CN1CCN(c2ncnc3sccc32)CC1 ZINC000195054382 267878301 /nfs/dbraw/zinc/87/83/01/267878301.db2.gz UZUWVVJMRLHHLN-UHFFFAOYSA-N 0 0 344.448 1.581 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](O)C2(C)C)C1 ZINC000250144301 267939578 /nfs/dbraw/zinc/93/95/78/267939578.db2.gz ZNPXMCGTHTURJR-AVGNSLFASA-N 0 0 326.437 1.909 10 0 EDAERN COc1ccc(O)cc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000187071920 272948293 /nfs/dbraw/zinc/94/82/93/272948293.db2.gz GLSBEPLTLVXWCN-GFCCVEGCSA-N 0 0 328.372 1.590 10 0 EDAERN O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1 ZINC000246990557 275027953 /nfs/dbraw/zinc/02/79/53/275027953.db2.gz NELADKJSQHAFAY-SJORKVTESA-N 0 0 349.862 1.852 10 0 EDAERN O=C1[C@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1 ZINC000246990540 275029852 /nfs/dbraw/zinc/02/98/52/275029852.db2.gz NELADKJSQHAFAY-IAGOWNOFSA-N 0 0 349.862 1.852 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000136791591 276444425 /nfs/dbraw/zinc/44/44/25/276444425.db2.gz XDWUKGPYPHFHJW-MRXNPFEDSA-N 0 0 344.419 1.188 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000155748199 277083173 /nfs/dbraw/zinc/08/31/73/277083173.db2.gz QCQHJEVYFWKQIG-AWEZNQCLSA-N 0 0 329.356 1.661 10 0 EDAERN CC(=O)Nc1ccc(C)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000187598457 278195080 /nfs/dbraw/zinc/19/50/80/278195080.db2.gz CVVBANXLYCBTJT-KDOFPFPSSA-N 0 0 345.443 1.746 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCC[C@H]3CO)c2)oc1C ZINC000120994920 279062628 /nfs/dbraw/zinc/06/26/28/279062628.db2.gz DHEFYRVXTQRFMG-HNNXBMFYSA-N 0 0 343.383 1.880 10 0 EDAERN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176104781 279945835 /nfs/dbraw/zinc/94/58/35/279945835.db2.gz JXEMWNCIHUETTF-CYBMUJFWSA-N 0 0 343.387 1.575 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@]12CCOC2=O ZINC000187512075 288633256 /nfs/dbraw/zinc/63/32/56/288633256.db2.gz UHQCSQLEJVRPKH-ZBEGNZNMSA-N 0 0 333.392 1.167 10 0 EDAERN C[C@H](NC(=O)NCC(F)(F)CO)c1ccc(S(C)(=O)=O)cc1 ZINC000184163411 289863162 /nfs/dbraw/zinc/86/31/62/289863162.db2.gz KNERPVXJUWREDN-VIFPVBQESA-N 0 0 336.360 1.078 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2cccc(N3CC=CC3)c2)C1 ZINC000174749400 290077696 /nfs/dbraw/zinc/07/76/96/290077696.db2.gz VBWHLJNUVCWUKN-KRWDZBQOSA-N 0 0 330.432 1.193 10 0 EDAERN Cc1sc2ncc(C(=O)N[C@@H]3CCCn4ncnc43)c(=O)n2c1C ZINC000181228099 294086608 /nfs/dbraw/zinc/08/66/08/294086608.db2.gz GVZLNJVQGBWXER-LLVKDONJSA-N 0 0 344.400 1.229 10 0 EDAERN CO[C@H](C)CS(=O)(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000248653296 294286590 /nfs/dbraw/zinc/28/65/90/294286590.db2.gz OOPWNJMHEDGCSX-KBMXLJTQSA-N 0 0 327.446 1.939 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000091784307 295159047 /nfs/dbraw/zinc/15/90/47/295159047.db2.gz DSGBJPQURFIXTB-GFCCVEGCSA-N 0 0 330.306 1.508 10 0 EDAERN Cc1ccccc1Nc1nc(CN2CCOC[C@H]2C(N)=O)cs1 ZINC000179735688 302107040 /nfs/dbraw/zinc/10/70/40/302107040.db2.gz CAZYKBJRUIALBQ-AWEZNQCLSA-N 0 0 332.429 1.881 10 0 EDAERN Cc1nn(C)c(N)c1C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000328800190 302785124 /nfs/dbraw/zinc/78/51/24/302785124.db2.gz IBANRZVSUSZRDA-LBPRGKRZSA-N 0 0 343.435 1.606 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(Cl)nc2)n1 ZINC000183744207 302852732 /nfs/dbraw/zinc/85/27/32/302852732.db2.gz DKPWNRVLKDUUOI-JTQLQIEISA-N 0 0 344.780 1.189 10 0 EDAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)/C=C\c1ccc(Br)o1 ZINC000393500267 303852563 /nfs/dbraw/zinc/85/25/63/303852563.db2.gz JKKNGFCYWHWSEH-VUEGKLPBSA-N 0 0 327.178 1.839 10 0 EDAERN COc1ccccc1CN1C[C@H](C(=O)NCc2cccnc2)CC1=O ZINC000000219827 440807694 /nfs/dbraw/zinc/80/76/94/440807694.db2.gz CMEJXANGFCABSU-MRXNPFEDSA-N 0 0 339.395 1.755 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)N2CCN(CC(=O)NC(C)C)CC2)o1 ZINC000043724452 440794266 /nfs/dbraw/zinc/79/42/66/440794266.db2.gz TVHAHSREXFWDGE-AWEZNQCLSA-N 0 0 336.436 1.501 10 0 EDAERN CSCC[C@@H](NC(=O)[C@H](C)NC(N)=O)c1nc2ccccc2[nH]1 ZINC000044193614 440824137 /nfs/dbraw/zinc/82/41/37/440824137.db2.gz DPRAEXPHJRSXLE-JOYOIKCWSA-N 0 0 335.433 1.530 10 0 EDAERN CCn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccccc21 ZINC000004035596 440911060 /nfs/dbraw/zinc/91/10/60/440911060.db2.gz HRMKNYTVQVKFGX-UHFFFAOYSA-N 0 0 332.425 1.972 10 0 EDAERN COc1ccc(Cc2cc(C(=O)NCCN3CCNC3=O)on2)cc1 ZINC000012182515 441128020 /nfs/dbraw/zinc/12/80/20/441128020.db2.gz RDXADHBGUKETSY-UHFFFAOYSA-N 0 0 344.371 1.029 10 0 EDAERN CCCNC(=O)N1C[C@@H](C(=O)N2CCCCC2)C2(C1)CCOCC2 ZINC000097945024 441147661 /nfs/dbraw/zinc/14/76/61/441147661.db2.gz UBPMXEPUCNLUGT-HNNXBMFYSA-N 0 0 337.464 1.847 10 0 EDAERN CC(C)[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000102172088 441166311 /nfs/dbraw/zinc/16/63/11/441166311.db2.gz AUOMULXMLMKVKO-LLVKDONJSA-N 0 0 326.418 1.156 10 0 EDAERN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 ZINC000071841406 441166853 /nfs/dbraw/zinc/16/68/53/441166853.db2.gz FEDMRXWJFHOPSH-GJZGRUSLSA-N 0 0 340.431 1.468 10 0 EDAERN Cc1csc([C@@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000103473007 441181995 /nfs/dbraw/zinc/18/19/95/441181995.db2.gz BONGOPUMSHLYMQ-LLVKDONJSA-N 0 0 333.465 1.664 10 0 EDAERN C[C@@H](CO)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000098098227 441149283 /nfs/dbraw/zinc/14/92/83/441149283.db2.gz ZWLJUOANBANUKP-IINYFYTJSA-N 0 0 333.413 1.180 10 0 EDAERN Cc1ccccc1OCCCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000104782211 441208100 /nfs/dbraw/zinc/20/81/00/441208100.db2.gz FIDYWYRHDWXZAR-MRXNPFEDSA-N 0 0 335.448 1.784 10 0 EDAERN CCNC(=O)CNC(=O)N[C@H](C)c1ccccc1Br ZINC000061188097 441266629 /nfs/dbraw/zinc/26/66/29/441266629.db2.gz LFYBUGXOCDTQEW-SECBINFHSA-N 0 0 328.210 1.945 10 0 EDAERN CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000081486010 441276683 /nfs/dbraw/zinc/27/66/83/441276683.db2.gz MQSHUMSOKFZIJP-HZPDHXFCSA-N 0 0 333.432 1.787 10 0 EDAERN CCOCCN1CCN(CCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000105834379 441287291 /nfs/dbraw/zinc/28/72/91/441287291.db2.gz HJOZESAVDVHJLB-INIZCTEOSA-N 0 0 340.489 1.503 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC000105861852 441293082 /nfs/dbraw/zinc/29/30/82/441293082.db2.gz RTHJCCQLGAXNTI-OAHLLOKOSA-N 0 0 336.436 1.590 10 0 EDAERN CN(Cc1ccccc1F)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024946351 441324974 /nfs/dbraw/zinc/32/49/74/441324974.db2.gz KFJRZUAXRWXQQY-AWEZNQCLSA-N 0 0 342.370 1.915 10 0 EDAERN CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(C(N)=O)cs1 ZINC000081966750 441327016 /nfs/dbraw/zinc/32/70/16/441327016.db2.gz SCHFOZTWZGODHB-AWEZNQCLSA-N 0 0 348.424 1.497 10 0 EDAERN Cn1cc(CN2CCCN([C@H](C(N)=O)c3ccccc3)CC2)cn1 ZINC000105869589 441300348 /nfs/dbraw/zinc/30/03/48/441300348.db2.gz ZGMUUKPKODCPGA-KRWDZBQOSA-N 0 0 327.432 1.154 10 0 EDAERN CCN(CC)C(=O)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874448 441302592 /nfs/dbraw/zinc/30/25/92/441302592.db2.gz QLVKOTBINUTPIL-OAHLLOKOSA-N 0 0 339.505 1.922 10 0 EDAERN COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000083740792 441374178 /nfs/dbraw/zinc/37/41/78/441374178.db2.gz SFOQSKGPZJXTRV-HUUCEWRRSA-N 0 0 345.403 1.463 10 0 EDAERN O=C(NC1CC1)[C@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065273226 441413563 /nfs/dbraw/zinc/41/35/63/441413563.db2.gz AVZQGCCZEAFIEM-NSHDSACASA-N 0 0 334.441 1.604 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000107859739 441432196 /nfs/dbraw/zinc/43/21/96/441432196.db2.gz TTYSXSMIKHEMSK-WXHSDQCUSA-N 0 0 336.363 1.847 10 0 EDAERN C[C@H]1CCCN(C(=O)c2ccc(CN3CCN(C)C(=O)C3=O)cc2)C1 ZINC000065129752 441404423 /nfs/dbraw/zinc/40/44/23/441404423.db2.gz ZFBYVMJUJJGTCP-AWEZNQCLSA-N 0 0 343.427 1.359 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(C(N)=O)c1 ZINC000087034998 441476933 /nfs/dbraw/zinc/47/69/33/441476933.db2.gz JKGGTUISVFWXIU-ZDUSSCGKSA-N 0 0 342.403 1.274 10 0 EDAERN C[C@@H](NC(=O)CN1CCCS1(=O)=O)c1ccc(F)c(Cl)c1 ZINC000065754626 441481711 /nfs/dbraw/zinc/48/17/11/441481711.db2.gz RHBCZMPHZYMKHB-SECBINFHSA-N 0 0 334.800 1.692 10 0 EDAERN CCN(Cc1cnn(C)c1)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000065909461 441493705 /nfs/dbraw/zinc/49/37/05/441493705.db2.gz OMUIMZNGKXKSJA-ZDUSSCGKSA-N 0 0 329.404 1.979 10 0 EDAERN C[C@@H](CNC(=O)Cc1ccc(Br)s1)N1CCOCC1 ZINC000074692496 441458866 /nfs/dbraw/zinc/45/88/66/441458866.db2.gz HCASQTPFKSDDGR-JTQLQIEISA-N 0 0 347.278 1.890 10 0 EDAERN CCCc1cc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)[nH]n1 ZINC000110906437 441525621 /nfs/dbraw/zinc/52/56/21/441525621.db2.gz VGNXBHGSPURHNC-OAHLLOKOSA-N 0 0 331.420 1.717 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1cccs1 ZINC000088280989 441503340 /nfs/dbraw/zinc/50/33/40/441503340.db2.gz BYICSDUXVVRBPP-JTQLQIEISA-N 0 0 333.417 1.283 10 0 EDAERN C[C@H](CCCO)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000088480740 441509142 /nfs/dbraw/zinc/50/91/42/441509142.db2.gz TVRAJMMBWFGJGY-VXGBXAGGSA-N 0 0 328.434 1.611 10 0 EDAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112659376 441553292 /nfs/dbraw/zinc/55/32/92/441553292.db2.gz WIRAPFKNWAWIHO-MFKMUULPSA-N 0 0 347.806 1.181 10 0 EDAERN CC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112742211 441556913 /nfs/dbraw/zinc/55/69/13/441556913.db2.gz CTOLOSNMRGBCIR-CQSZACIVSA-N 0 0 328.376 1.051 10 0 EDAERN COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112741053 441557137 /nfs/dbraw/zinc/55/71/37/441557137.db2.gz SSTHBMASEPIMAV-NEPJUHHUSA-N 0 0 345.403 1.671 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCc2csc(=O)[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000089508375 441557317 /nfs/dbraw/zinc/55/73/17/441557317.db2.gz SFRGUSOSHMGMKN-JSGCOSHPSA-N 0 0 349.387 1.411 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)COc3ccc(C=O)cc3)CCO2)c1 ZINC000113184609 441586136 /nfs/dbraw/zinc/58/61/36/441586136.db2.gz GSCCTTQHEBXTFT-QGZVFWFLSA-N 0 0 343.383 1.310 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113860391 441625925 /nfs/dbraw/zinc/62/59/25/441625925.db2.gz AXIQIALCNCCRGY-HUUCEWRRSA-N 0 0 348.447 1.091 10 0 EDAERN NC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000113893491 441626747 /nfs/dbraw/zinc/62/67/47/441626747.db2.gz OPKCCAMTPSXGNB-OAHLLOKOSA-N 0 0 327.388 1.945 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCOc2cccc(C(C)(C)C)c2)C1 ZINC000113974412 441629569 /nfs/dbraw/zinc/62/95/69/441629569.db2.gz XQIOEGPGHAICID-QGZVFWFLSA-N 0 0 349.475 1.993 10 0 EDAERN O=C(CN1CCCC[C@H]1c1cn[nH]c1)NC1CCC2(CC1)OCCO2 ZINC000114202703 441642203 /nfs/dbraw/zinc/64/22/03/441642203.db2.gz HPUXBNHLUWFIFW-INIZCTEOSA-N 0 0 348.447 1.739 10 0 EDAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)c1cccs1 ZINC000037489329 441613074 /nfs/dbraw/zinc/61/30/74/441613074.db2.gz POUBXFYQFXECSB-MRVPVSSYSA-N 0 0 329.403 1.687 10 0 EDAERN COC(=O)CCN1CCN(C(=O)N[C@H](C)c2ccc(C)o2)[C@@H](C)C1 ZINC000091618404 441718399 /nfs/dbraw/zinc/71/83/99/441718399.db2.gz BGPXRWJDYBXHIH-GXTWGEPZSA-N 0 0 337.420 1.928 10 0 EDAERN COC(=O)Cn1ccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)n1 ZINC000173292633 441705521 /nfs/dbraw/zinc/70/55/21/441705521.db2.gz MOWHPNNOIHMROS-LBPRGKRZSA-N 0 0 332.364 1.159 10 0 EDAERN CCOc1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)ccc1OC ZINC000114602237 441669630 /nfs/dbraw/zinc/66/96/30/441669630.db2.gz OITKVQNGNJNQIZ-CYBMUJFWSA-N 0 0 345.403 1.500 10 0 EDAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000114607849 441670681 /nfs/dbraw/zinc/67/06/81/441670681.db2.gz IZZISEPWHABGRN-LLVKDONJSA-N 0 0 326.418 1.498 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(Br)nc1C ZINC000091189442 441670748 /nfs/dbraw/zinc/67/07/48/441670748.db2.gz OXTGEBZSVMAPKR-SNVBAGLBSA-N 0 0 341.209 1.895 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc(C)s2)ncn1 ZINC000173416969 441741964 /nfs/dbraw/zinc/74/19/64/441741964.db2.gz XOSXRLQTPJYIFM-NSHDSACASA-N 0 0 332.433 1.682 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1 ZINC000121728073 441766368 /nfs/dbraw/zinc/76/63/68/441766368.db2.gz FENAVUKHAWBMCZ-GFCCVEGCSA-N 0 0 331.351 1.569 10 0 EDAERN C[C@H](NC(=O)c1cc(I)c[nH]1)[C@H]1CCCO1 ZINC000115332138 441726464 /nfs/dbraw/zinc/72/64/64/441726464.db2.gz RCBMKQGKXKEDPC-OIBJUYFYSA-N 0 0 334.157 1.917 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cc3c[nH]c4ccc(F)cc34)CCO2)[nH]1 ZINC000173527800 441778186 /nfs/dbraw/zinc/77/81/86/441778186.db2.gz VIAFSASXZBHZCG-OAHLLOKOSA-N 0 0 343.362 1.876 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCCc3nccs3)CCO2)[nH]1 ZINC000138077011 441783993 /nfs/dbraw/zinc/78/39/93/441783993.db2.gz FTQWHXUSNWULHN-SNVBAGLBSA-N 0 0 336.421 1.149 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)[C@@H](C)C3CC3)C2=O)n(C)n1 ZINC000173568470 441793894 /nfs/dbraw/zinc/79/38/94/441793894.db2.gz WFHYNPJEMJWFMZ-GXTWGEPZSA-N 0 0 333.436 1.664 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3sc(C)cc3OC)CCO2)[nH]1 ZINC000173571422 441795044 /nfs/dbraw/zinc/79/50/44/441795044.db2.gz WESFSPDEASVDAM-NSHDSACASA-N 0 0 336.417 1.959 10 0 EDAERN CCc1ccc(NC(=O)CN2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173673717 441820876 /nfs/dbraw/zinc/82/08/76/441820876.db2.gz VPEXKFHENCOFDJ-HNNXBMFYSA-N 0 0 329.404 1.688 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCCNC(=O)C(C)C)C1 ZINC000121867510 441798572 /nfs/dbraw/zinc/79/85/72/441798572.db2.gz QBZRBRLLPQSLGP-OAHLLOKOSA-N 0 0 349.479 1.954 10 0 EDAERN O=C(CCNS(=O)(=O)c1cccnc1)N1CCC[C@H]1c1ccco1 ZINC000116212358 441801372 /nfs/dbraw/zinc/80/13/72/441801372.db2.gz RPFAKFOMJMEMRX-AWEZNQCLSA-N 0 0 349.412 1.707 10 0 EDAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000173602101 441802010 /nfs/dbraw/zinc/80/20/10/441802010.db2.gz YQLUPHIXMZKSRF-AWEZNQCLSA-N 0 0 347.350 1.424 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(C(C)=O)cc3)CCO2)[nH]1 ZINC000173608090 441803686 /nfs/dbraw/zinc/80/36/86/441803686.db2.gz CMNIIRUOVUHCTP-AWEZNQCLSA-N 0 0 328.372 1.783 10 0 EDAERN CSCc1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1 ZINC000139108515 441805429 /nfs/dbraw/zinc/80/54/29/441805429.db2.gz TUDCEDCSWSYSMA-UHFFFAOYSA-N 0 0 342.428 1.910 10 0 EDAERN Cn1cc([C@@H]2CCN(CC(=O)N3CC(=O)Nc4ccccc43)C2)cn1 ZINC000116316741 441810595 /nfs/dbraw/zinc/81/05/95/441810595.db2.gz IRQOSYZDTQNIOE-CYBMUJFWSA-N 0 0 339.399 1.195 10 0 EDAERN Cn1cc([C@H]2CCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)cn1 ZINC000116316472 441811777 /nfs/dbraw/zinc/81/17/77/441811777.db2.gz SPYBABYKAZLSHO-AWEZNQCLSA-N 0 0 342.399 1.255 10 0 EDAERN COCCN1CCN(C(=O)NCc2nc(C)c(C)s2)C[C@@H]1C ZINC000173649090 441814391 /nfs/dbraw/zinc/81/43/91/441814391.db2.gz IKUNMAWBRMPINB-NSHDSACASA-N 0 0 326.466 1.622 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117522456 441874491 /nfs/dbraw/zinc/87/44/91/441874491.db2.gz LLTNCXLFCUBOOS-AWEZNQCLSA-N 0 0 333.432 1.367 10 0 EDAERN Cc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1Br ZINC000093204936 441865400 /nfs/dbraw/zinc/86/54/00/441865400.db2.gz GTIQLLNLICFFDF-LBPRGKRZSA-N 0 0 327.222 1.818 10 0 EDAERN COCCN1CCN(C(=O)NCCc2cn3ccccc3n2)C[C@H]1C ZINC000117473895 441872808 /nfs/dbraw/zinc/87/28/08/441872808.db2.gz KPASRNRTZHPOTJ-OAHLLOKOSA-N 0 0 345.447 1.239 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1C ZINC000116587146 441831651 /nfs/dbraw/zinc/83/16/51/441831651.db2.gz CDHBZFKNJVYZFG-AWEZNQCLSA-N 0 0 326.400 1.992 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(N(C)C)ccn3)CCO2)[nH]1 ZINC000173756947 441834884 /nfs/dbraw/zinc/83/48/84/441834884.db2.gz HVFOXKZVRCDBRY-ZDUSSCGKSA-N 0 0 330.392 1.042 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cccs2)cn1C ZINC000173777895 441838792 /nfs/dbraw/zinc/83/87/92/441838792.db2.gz AIYOIAGARFURRB-VIFPVBQESA-N 0 0 328.415 1.913 10 0 EDAERN CCOc1cccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173778190 441839050 /nfs/dbraw/zinc/83/90/50/441839050.db2.gz PSGVIYWBXDCMNA-INIZCTEOSA-N 0 0 333.432 1.701 10 0 EDAERN COc1cc(CN2CCO[C@H](Cn3cccn3)C2)cc2c1OCCO2 ZINC000122199941 441839113 /nfs/dbraw/zinc/83/91/13/441839113.db2.gz YGBUXMUHQCMRGX-HNNXBMFYSA-N 0 0 345.399 1.564 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)COCc1ccccc1 ZINC000173792746 441841702 /nfs/dbraw/zinc/84/17/02/441841702.db2.gz GIXVSBUGWANWHC-GFCCVEGCSA-N 0 0 337.445 1.921 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccc(C(=O)NC)c2)CCN1CCOC ZINC000173807000 441843312 /nfs/dbraw/zinc/84/33/12/441843312.db2.gz JPZZTIHPMOIAHQ-MRXNPFEDSA-N 0 0 333.432 1.229 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 ZINC000116779710 441843553 /nfs/dbraw/zinc/84/35/53/441843553.db2.gz MGCHTDXUBBEROM-CQSZACIVSA-N 0 0 329.404 1.146 10 0 EDAERN COCOc1ccc(OC)cc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000122290745 441844555 /nfs/dbraw/zinc/84/45/55/441844555.db2.gz NAPFUMWTKHTSBK-KRWDZBQOSA-N 0 0 347.415 1.775 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000077747216 441845736 /nfs/dbraw/zinc/84/57/36/441845736.db2.gz XGCUYSNRJQZHFE-RNCFNFMXSA-N 0 0 325.372 1.812 10 0 EDAERN COCCc1noc(CN(C)C(=O)N[C@@H]2COc3ccccc32)n1 ZINC000122369627 441847389 /nfs/dbraw/zinc/84/73/89/441847389.db2.gz PWOMKNIPADGIOJ-GFCCVEGCSA-N 0 0 332.360 1.534 10 0 EDAERN COc1ccccc1OCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173849045 441850567 /nfs/dbraw/zinc/85/05/67/441850567.db2.gz BLJDXAFBVGBQEW-CABCVRRESA-N 0 0 334.416 1.253 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(C)c(OC)c2)C[C@H]1C ZINC000117484337 441874157 /nfs/dbraw/zinc/87/41/57/441874157.db2.gz SMQOTGZVGMXSON-OAHLLOKOSA-N 0 0 335.448 1.866 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CCCOC2)ncn1 ZINC000174188598 441900811 /nfs/dbraw/zinc/90/08/11/441900811.db2.gz FWXPWGWBEBWBDI-UONOGXRCSA-N 0 0 348.451 1.213 10 0 EDAERN CCOc1ncccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118673357 441901094 /nfs/dbraw/zinc/90/10/94/441901094.db2.gz YWRNYAKJYJRYBA-CYBMUJFWSA-N 0 0 327.388 1.669 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(C(C)C)nn3C)CCO2)c1 ZINC000174223318 441904246 /nfs/dbraw/zinc/90/42/46/441904246.db2.gz YFVDMOBSANEILE-CQSZACIVSA-N 0 0 331.420 1.590 10 0 EDAERN CC(C)[C@H](NC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1nccn1C ZINC000095400947 441921435 /nfs/dbraw/zinc/92/14/35/441921435.db2.gz QLYKDZKCEYKILO-XJKSGUPXSA-N 0 0 334.424 1.058 10 0 EDAERN COC(=O)C(C)(C(=O)OC)c1ccc(Br)cc1[N+](=O)[O-] ZINC000148983515 441921685 /nfs/dbraw/zinc/92/16/85/441921685.db2.gz LZJWMCZPYZAHBG-UHFFFAOYSA-N 0 0 346.133 1.961 10 0 EDAERN O=C(N[C@H]1COc2ccccc21)N(CCO)CCOCC(F)(F)F ZINC000174440953 441925092 /nfs/dbraw/zinc/92/50/92/441925092.db2.gz IQUGONVZYKDSAX-LBPRGKRZSA-N 0 0 348.321 1.703 10 0 EDAERN O=S(=O)(c1ccc2ccccc2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173998968 441876386 /nfs/dbraw/zinc/87/63/86/441876386.db2.gz DUEJSYHSSDHMJG-QGZVFWFLSA-N 0 0 346.452 1.935 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000118052230 441884352 /nfs/dbraw/zinc/88/43/52/441884352.db2.gz IQNKCKBJFYBMDY-BBRMVZONSA-N 0 0 341.415 1.894 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000174132236 441891517 /nfs/dbraw/zinc/89/15/17/441891517.db2.gz HNPUGMIUCNLEOP-YOEHRIQHSA-N 0 0 333.432 1.902 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000124621014 441940740 /nfs/dbraw/zinc/94/07/40/441940740.db2.gz RDSDPLITCGEMEZ-HNNXBMFYSA-N 0 0 327.388 1.674 10 0 EDAERN Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)COCc1ccccc1)CC2 ZINC000174633589 441946848 /nfs/dbraw/zinc/94/68/48/441946848.db2.gz YXMHINDXKWICLM-BBRMVZONSA-N 0 0 343.431 1.806 10 0 EDAERN C[C@@]1(CNC(=O)c2cc(Cl)nc(Cl)c2)CCS(=O)(=O)C1 ZINC000095938905 441953834 /nfs/dbraw/zinc/95/38/34/441953834.db2.gz VIDRTUBGBINSNN-LBPRGKRZSA-N 0 0 337.228 1.943 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C12CCC2 ZINC000150809930 441954095 /nfs/dbraw/zinc/95/40/95/441954095.db2.gz DLUCAHZJTXLSIM-BZUAXINKSA-N 0 0 345.443 1.730 10 0 EDAERN COc1ccc(COCCCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000124856380 441959057 /nfs/dbraw/zinc/95/90/57/441959057.db2.gz HJKSQSAJOYCPGO-QGZVFWFLSA-N 0 0 336.432 1.439 10 0 EDAERN COc1ncc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1C(N)=O ZINC000125061882 441979084 /nfs/dbraw/zinc/97/90/84/441979084.db2.gz RBFGSSXPZVXFPG-RYUDHWBXSA-N 0 0 342.399 1.867 10 0 EDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Cl)c(F)c1 ZINC000120042311 441998381 /nfs/dbraw/zinc/99/83/81/441998381.db2.gz BOMFODTUIUMPCN-LLVKDONJSA-N 0 0 331.775 1.294 10 0 EDAERN C[C@@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000151071474 442000527 /nfs/dbraw/zinc/00/05/27/442000527.db2.gz YBMPDUGCCNMVQD-GJYPPUQNSA-N 0 0 341.459 1.981 10 0 EDAERN COC(=O)c1cc(CN2CCO[C@@H](Cn3cccn3)C2)c(C)s1 ZINC000151103351 442006205 /nfs/dbraw/zinc/00/62/05/442006205.db2.gz ILECVUBTMLCGHD-CQSZACIVSA-N 0 0 335.429 1.941 10 0 EDAERN COc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)c(OC2CCCC2)c1 ZINC000175119706 442007628 /nfs/dbraw/zinc/00/76/28/442007628.db2.gz VMCJKFRYNHQSGW-ZDUSSCGKSA-N 0 0 332.400 1.769 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000151159974 442016110 /nfs/dbraw/zinc/01/61/10/442016110.db2.gz VYMLKNGMTDFIEU-HUUCEWRRSA-N 0 0 342.484 1.043 10 0 EDAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000151176537 442019545 /nfs/dbraw/zinc/01/95/45/442019545.db2.gz JKAXTSNJUWHZBA-CHWSQXEVSA-N 0 0 333.436 1.583 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1S(C)(=O)=O ZINC000151231610 442029081 /nfs/dbraw/zinc/02/90/81/442029081.db2.gz UZHAOQLNACDJKU-GFCCVEGCSA-N 0 0 348.428 1.509 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000120220687 442032099 /nfs/dbraw/zinc/03/20/99/442032099.db2.gz BZPGATCWVPMDLN-SNVBAGLBSA-N 0 0 333.310 1.083 10 0 EDAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)N[C@@H]1CCc2ncnn2C1 ZINC000120241733 442035319 /nfs/dbraw/zinc/03/53/19/442035319.db2.gz GBEGHWYDSYNBRL-CYBMUJFWSA-N 0 0 325.372 1.934 10 0 EDAERN COCC(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096113154 442037403 /nfs/dbraw/zinc/03/74/03/442037403.db2.gz CRUFLTGVDIJUPD-LLVKDONJSA-N 0 0 334.294 1.353 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccccc1C ZINC000151608079 442092106 /nfs/dbraw/zinc/09/21/06/442092106.db2.gz IOCDBSANSDTGSB-ZFWWWQNUSA-N 0 0 332.400 1.632 10 0 EDAERN C[C@H]1CN(C(=O)NCc2nccn2C(F)F)C[C@@H]1N1CCOCC1 ZINC000175745149 442115436 /nfs/dbraw/zinc/11/54/36/442115436.db2.gz KFRBIMQKOVXOOF-RYUDHWBXSA-N 0 0 343.378 1.140 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000162732704 442117751 /nfs/dbraw/zinc/11/77/51/442117751.db2.gz GADZTHJNAGUHAZ-SECBINFHSA-N 0 0 330.262 1.206 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@@H]1CCCO1 ZINC000151813854 442124766 /nfs/dbraw/zinc/12/47/66/442124766.db2.gz UQKDYIVYVRRHDV-MFKMUULPSA-N 0 0 346.387 1.516 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000120605162 442103291 /nfs/dbraw/zinc/10/32/91/442103291.db2.gz BFBONGVQJUGDBU-GJZGRUSLSA-N 0 0 348.451 1.342 10 0 EDAERN C[S@](=O)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000175693661 442106767 /nfs/dbraw/zinc/10/67/67/442106767.db2.gz QQDUJUDMQJCFLS-MYYSRTQBSA-N 0 0 346.456 1.995 10 0 EDAERN O=C(NC1CC1)c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000163472864 442168175 /nfs/dbraw/zinc/16/81/75/442168175.db2.gz JNGVCPKVGZEIFH-INIZCTEOSA-N 0 0 339.399 1.648 10 0 EDAERN COc1cccc([C@H](O)C(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000163517133 442171646 /nfs/dbraw/zinc/17/16/46/442171646.db2.gz BVXJVWDLJYOSAY-KRWDZBQOSA-N 0 0 342.399 1.622 10 0 EDAERN CC(C)OCCCNC(=O)C1CCN(C(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000152265968 442190871 /nfs/dbraw/zinc/19/08/71/442190871.db2.gz OXJUUCOAEJZQDJ-GOEBONIOSA-N 0 0 340.464 1.724 10 0 EDAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000121321667 442203117 /nfs/dbraw/zinc/20/31/17/442203117.db2.gz LAXWUJWAMXWBKK-GFCCVEGCSA-N 0 0 348.369 1.052 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)CCCSC)CC2)n1 ZINC000120942791 442154973 /nfs/dbraw/zinc/15/49/73/442154973.db2.gz ORKUDRHOSWZKNG-GFCCVEGCSA-N 0 0 326.466 1.980 10 0 EDAERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C)cc2C(=O)OC)C1 ZINC000152051896 442159023 /nfs/dbraw/zinc/15/90/23/442159023.db2.gz LBKCXKYVZMDCND-CYBMUJFWSA-N 0 0 340.445 1.544 10 0 EDAERN CCOc1cc(NCCNc2nnnn2-c2ccccc2)ncn1 ZINC000127003826 442161678 /nfs/dbraw/zinc/16/16/78/442161678.db2.gz VBTXSJMORCPVQI-UHFFFAOYSA-N 0 0 326.364 1.375 10 0 EDAERN CCc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cc1F ZINC000163382509 442162154 /nfs/dbraw/zinc/16/21/54/442162154.db2.gz MIEIUJLNXBISSZ-LBPRGKRZSA-N 0 0 337.395 1.164 10 0 EDAERN COCCn1c(C)cc(C(=O)CN2CCC[C@H](n3cncn3)C2)c1C ZINC000176328973 442210573 /nfs/dbraw/zinc/21/05/73/442210573.db2.gz WNMBWXKKQZHHGS-INIZCTEOSA-N 0 0 345.447 1.863 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000176467592 442225615 /nfs/dbraw/zinc/22/56/15/442225615.db2.gz DGJUMGXNDRTGQU-ZDUSSCGKSA-N 0 0 328.376 1.069 10 0 EDAERN CCOc1cccnc1C(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000176504746 442228993 /nfs/dbraw/zinc/22/89/93/442228993.db2.gz FEZSPGXELZHBFX-LBPRGKRZSA-N 0 0 331.376 1.375 10 0 EDAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](Oc2cccnc2)C1 ZINC000127871250 442230624 /nfs/dbraw/zinc/23/06/24/442230624.db2.gz LGGMDKRRWWENDD-ZDUSSCGKSA-N 0 0 336.351 1.612 10 0 EDAERN Cc1nc(CN2CCCN(Cc3cccc4c3OCO4)CC2)no1 ZINC000127947214 442235224 /nfs/dbraw/zinc/23/52/24/442235224.db2.gz JHNKUNCVUBKPTM-UHFFFAOYSA-N 0 0 330.388 1.815 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)COc1ccccc1C=O)CC2 ZINC000170775022 442262211 /nfs/dbraw/zinc/26/22/11/442262211.db2.gz SFPSMFZADVHSMT-CQSZACIVSA-N 0 0 342.399 1.724 10 0 EDAERN Cc1nn(CCC(=O)N[C@@H]2C[C@@H]2C)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1C ZINC000170807446 442267337 /nfs/dbraw/zinc/26/73/37/442267337.db2.gz VHYGXFSQTHVGMK-IYVPYFHTSA-N 0 0 346.475 1.872 10 0 EDAERN CC(C)C(=O)N1CCC(NC(=O)NC[C@H]2CCCC[C@@H]2O)CC1 ZINC000153321057 442275371 /nfs/dbraw/zinc/27/53/71/442275371.db2.gz GIHLSFIMINYTRL-HIFRSBDPSA-N 0 0 325.453 1.484 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCCN1CCOCC1(C)C)C(C)C ZINC000170862540 442278823 /nfs/dbraw/zinc/27/88/23/442278823.db2.gz WGPUVAJFHQLJBZ-MRXNPFEDSA-N 0 0 341.496 1.400 10 0 EDAERN COc1cc(CNC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)ccn1 ZINC000170888767 442283992 /nfs/dbraw/zinc/28/39/92/442283992.db2.gz JVSNSEVMYKUJMI-CQSZACIVSA-N 0 0 345.403 1.946 10 0 EDAERN CC(=O)N1CCC(CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000170896029 442285023 /nfs/dbraw/zinc/28/50/23/442285023.db2.gz OCEDXXXAVUNEPC-KRWDZBQOSA-N 0 0 339.480 1.548 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000153510595 442286648 /nfs/dbraw/zinc/28/66/48/442286648.db2.gz KFLWZBHQIBEOKT-NSHDSACASA-N 0 0 345.378 1.878 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)C1 ZINC000177032500 442288312 /nfs/dbraw/zinc/28/83/12/442288312.db2.gz KDGDVGMXEATWHO-LLVKDONJSA-N 0 0 332.360 1.409 10 0 EDAERN CC(C)CCOC1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000170924533 442290296 /nfs/dbraw/zinc/29/02/96/442290296.db2.gz FQKFWJBGEIXMSW-INIZCTEOSA-N 0 0 327.469 1.554 10 0 EDAERN CCc1ncsc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000154337954 442333271 /nfs/dbraw/zinc/33/32/71/442333271.db2.gz SYMSBWPASWQCLN-SECBINFHSA-N 0 0 339.442 1.844 10 0 EDAERN CN(c1ccccc1)c1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cn1 ZINC000171287442 442338986 /nfs/dbraw/zinc/33/89/86/442338986.db2.gz DTHPONKXYRHTSG-QGZVFWFLSA-N 0 0 340.427 1.910 10 0 EDAERN CC(=O)Nc1nc(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cs1 ZINC000171335587 442341615 /nfs/dbraw/zinc/34/16/15/442341615.db2.gz ZXOLXJDFNKGJNZ-LLVKDONJSA-N 0 0 349.416 1.888 10 0 EDAERN C[C@@H](SC[C@@H](O)CO)C(=O)Nc1ncc(Cl)cc1Cl ZINC000177438897 442341996 /nfs/dbraw/zinc/34/19/96/442341996.db2.gz OPHRWUYZPJGIEK-SVRRBLITSA-N 0 0 325.217 1.802 10 0 EDAERN CC(C)c1nnc2n1C[C@H](Nc1ncc(C(N)=O)cc1Cl)CC2 ZINC000171363755 442343811 /nfs/dbraw/zinc/34/38/11/442343811.db2.gz DJNWKOAXKFXQHX-SNVBAGLBSA-N 0 0 334.811 1.976 10 0 EDAERN NC(=O)c1cccc(CCNC(=O)N[C@H]2COc3ccccc32)c1 ZINC000171072433 442306860 /nfs/dbraw/zinc/30/68/60/442306860.db2.gz DPARZTRILATPBL-HNNXBMFYSA-N 0 0 325.368 1.761 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153864023 442308258 /nfs/dbraw/zinc/30/82/58/442308258.db2.gz QVTHLAJHLWATNX-CYBMUJFWSA-N 0 0 348.451 1.367 10 0 EDAERN COCc1cc(CNC(=O)NC[C@H](C)N2CCOCC2)ccc1F ZINC000171654200 442367123 /nfs/dbraw/zinc/36/71/23/442367123.db2.gz MFAALWJPLBHAIF-ZDUSSCGKSA-N 0 0 339.411 1.492 10 0 EDAERN C[C@@H](CC(=O)N1CCC[C@@H](n2cncn2)C1)NC(=O)c1ccccc1 ZINC000171664627 442368163 /nfs/dbraw/zinc/36/81/63/442368163.db2.gz TVSWWSDSNRRTGV-GOEBONIOSA-N 0 0 341.415 1.650 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000155008194 442370806 /nfs/dbraw/zinc/37/08/06/442370806.db2.gz ZRNUMBHTCKPCGF-CQSZACIVSA-N 0 0 337.424 1.287 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCc3ccc(F)cc3)CC2)cn1 ZINC000172044433 442404000 /nfs/dbraw/zinc/40/40/00/442404000.db2.gz APYPCYHCKVJDLG-UHFFFAOYSA-N 0 0 345.422 1.977 10 0 EDAERN O=C(CN1CCC[C@H](n2cncn2)C1)Nc1ccnn1C1CCCC1 ZINC000171703119 442372295 /nfs/dbraw/zinc/37/22/95/442372295.db2.gz KCNJZQYQVMFDOX-HNNXBMFYSA-N 0 0 343.435 1.865 10 0 EDAERN C[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1cccs1 ZINC000171735044 442375361 /nfs/dbraw/zinc/37/53/61/442375361.db2.gz VJWKNFHJEHNUCY-NSHDSACASA-N 0 0 345.490 1.828 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC[S@](C)=O ZINC000171752752 442377585 /nfs/dbraw/zinc/37/75/85/442377585.db2.gz BIHADYQPOPRRDI-WXQIDZRNSA-N 0 0 338.473 1.716 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2ccccn2c1 ZINC000155212784 442381694 /nfs/dbraw/zinc/38/16/94/442381694.db2.gz SYEGPAZABQDOHN-CQSZACIVSA-N 0 0 325.372 1.942 10 0 EDAERN COc1ncccc1NC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000171806383 442382626 /nfs/dbraw/zinc/38/26/26/442382626.db2.gz ZCQRTFCXOXPFHZ-LLVKDONJSA-N 0 0 346.391 1.692 10 0 EDAERN COc1cccc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)n1 ZINC000171828797 442383960 /nfs/dbraw/zinc/38/39/60/442383960.db2.gz WTPXVWADJNWMCG-UHFFFAOYSA-N 0 0 329.448 1.758 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171882963 442387341 /nfs/dbraw/zinc/38/73/41/442387341.db2.gz NOUQUCLINHGJNV-HNNXBMFYSA-N 0 0 339.399 1.469 10 0 EDAERN COCCOc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000171883400 442387352 /nfs/dbraw/zinc/38/73/52/442387352.db2.gz UDSBGNZEVDELMG-QGZVFWFLSA-N 0 0 345.399 1.450 10 0 EDAERN COc1cc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1C ZINC000171903953 442389387 /nfs/dbraw/zinc/38/93/87/442389387.db2.gz HUQOMEHHMZVUTR-INIZCTEOSA-N 0 0 344.415 1.811 10 0 EDAERN CCCn1nc(C)c(C(=O)N[C@H]2CCCn3nc(COC)nc32)c1C ZINC000155347567 442389702 /nfs/dbraw/zinc/38/97/02/442389702.db2.gz VCZPDJPRIXZNJQ-ZDUSSCGKSA-N 0 0 346.435 1.913 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCN3CCOCC3(C)C)C2)c1 ZINC000171907135 442389775 /nfs/dbraw/zinc/38/97/75/442389775.db2.gz UFRCDSRKTROLAQ-INIZCTEOSA-N 0 0 349.479 1.649 10 0 EDAERN COc1ccccc1OCCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171578493 442358483 /nfs/dbraw/zinc/35/84/83/442358483.db2.gz DENMCIGUZNKBMJ-CQSZACIVSA-N 0 0 330.388 1.919 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000177598680 442361141 /nfs/dbraw/zinc/36/11/41/442361141.db2.gz VIYHBCGDICWXBT-DZGCQCFKSA-N 0 0 345.447 1.647 10 0 EDAERN CCOCCS(=O)(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000177612990 442362976 /nfs/dbraw/zinc/36/29/76/442362976.db2.gz QHSLIEAWUNFHMD-UHFFFAOYSA-N 0 0 331.438 1.918 10 0 EDAERN COCc1ccc(CNC(=O)CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000171619638 442363311 /nfs/dbraw/zinc/36/33/11/442363311.db2.gz OQDXRVSJZSKQNS-KRWDZBQOSA-N 0 0 343.431 1.378 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccccc1N1CCOCC1 ZINC000177616402 442363615 /nfs/dbraw/zinc/36/36/15/442363615.db2.gz GHNCXENKKONDTG-AWEZNQCLSA-N 0 0 327.388 1.380 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000178139469 442410285 /nfs/dbraw/zinc/41/02/85/442410285.db2.gz YJGYMQADRPYOQQ-ZWNOBZJWSA-N 0 0 331.821 1.797 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2ccn(C3CCCC3)n2)n1 ZINC000155584871 442410580 /nfs/dbraw/zinc/41/05/80/442410580.db2.gz NWEOGCMSMYZYLN-CQSZACIVSA-N 0 0 331.376 1.903 10 0 EDAERN C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000178195340 442414198 /nfs/dbraw/zinc/41/41/98/442414198.db2.gz ILMQFOAETCPJTF-ZFWWWQNUSA-N 0 0 343.431 1.578 10 0 EDAERN CCc1nnc(CSc2nnc(-c3cccc(OC)c3)n2N)n1C ZINC000178317857 442424519 /nfs/dbraw/zinc/42/45/19/442424519.db2.gz VPDKJGZZSWANJZ-UHFFFAOYSA-N 0 0 345.432 1.651 10 0 EDAERN O=C(NCCCc1ccccn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000178417960 442431930 /nfs/dbraw/zinc/43/19/30/442431930.db2.gz OSJIBWPKKBTGQA-INIZCTEOSA-N 0 0 329.404 1.321 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCOc1cccc(C)c1)CC2 ZINC000172262889 442432817 /nfs/dbraw/zinc/43/28/17/442432817.db2.gz AIYRUAACYGNINQ-CQSZACIVSA-N 0 0 343.431 1.842 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1cn3ccccc3n1)CC2 ZINC000172419557 442457187 /nfs/dbraw/zinc/45/71/87/442457187.db2.gz IYFNHWCZXGKJOI-CYBMUJFWSA-N 0 0 338.415 1.723 10 0 EDAERN COCCN1CCN(C(=O)Nc2cc(C(N)=O)ccc2F)C[C@H]1C ZINC000172313870 442442957 /nfs/dbraw/zinc/44/29/57/442442957.db2.gz NAVDUQBZOWLKHO-LLVKDONJSA-N 0 0 338.383 1.109 10 0 EDAERN CSC[C@H]1CCC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000178567518 442444362 /nfs/dbraw/zinc/44/43/62/442444362.db2.gz UQHJTALDQDNJOT-OLZOCXBDSA-N 0 0 334.441 1.471 10 0 EDAERN CC(=O)N1C[C@@H](O)C[C@@H]1c1nc(-c2ccc(Br)o2)no1 ZINC000191687349 442490515 /nfs/dbraw/zinc/49/05/15/442490515.db2.gz NKOXXKQIJMVOGR-JGVFFNPUSA-N 0 0 342.149 1.746 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCNC(=O)C(C)(C)C)CCO2)cn1 ZINC000191703965 442493321 /nfs/dbraw/zinc/49/33/21/442493321.db2.gz YPIKCMHAANKWDL-AWEZNQCLSA-N 0 0 336.436 1.355 10 0 EDAERN CCOc1ccc(-c2nc(CN3CCOC[C@H]3C(N)=O)co2)cc1 ZINC000179719968 442493862 /nfs/dbraw/zinc/49/38/62/442493862.db2.gz RQPANCVXBGDGKV-HNNXBMFYSA-N 0 0 331.372 1.426 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(Cl)c3cccnc23)C1 ZINC000186317073 442510516 /nfs/dbraw/zinc/51/05/16/442510516.db2.gz GYUJRFRDQFDLEZ-UHFFFAOYSA-N 0 0 333.775 1.475 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1cccc2c1OCO2 ZINC000186282172 442503291 /nfs/dbraw/zinc/50/32/91/442503291.db2.gz VUKMJNUBPIYODE-ZDUSSCGKSA-N 0 0 328.372 1.899 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)NC1CCN(CC(F)(F)F)CC1 ZINC000172613785 442503971 /nfs/dbraw/zinc/50/39/71/442503971.db2.gz JTHFSIHVTSFFHF-DGCLKSJQSA-N 0 0 337.386 1.863 10 0 EDAERN CNC(=O)[C@H](NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)C(C)C ZINC000178854248 442504030 /nfs/dbraw/zinc/50/40/30/442504030.db2.gz RWQASGGAVQYXOZ-FUHWJXTLSA-N 0 0 347.459 1.164 10 0 EDAERN CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000191572609 442467281 /nfs/dbraw/zinc/46/72/81/442467281.db2.gz BOSJIUYKZXDXJD-HOCLYGCPSA-N 0 0 347.459 1.732 10 0 EDAERN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)NCc2cc(C)no2)on1 ZINC000179633159 442482644 /nfs/dbraw/zinc/48/26/44/442482644.db2.gz NECSRCYWOZFRET-GASCZTMLSA-N 0 0 346.387 1.628 10 0 EDAERN Cc1cc(C(=O)NCc2nnc(C3CCC3)n2C)c2cnn(C)c2n1 ZINC000156467238 442484022 /nfs/dbraw/zinc/48/40/22/442484022.db2.gz LSAVXVFIIVZDJT-UHFFFAOYSA-N 0 0 339.403 1.603 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1F ZINC000172756391 442535390 /nfs/dbraw/zinc/53/53/90/442535390.db2.gz NPCKTDHJKUMDLP-AWEZNQCLSA-N 0 0 335.379 1.331 10 0 EDAERN O=C(CCCc1nc(C2CC2)no1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758474 442536060 /nfs/dbraw/zinc/53/60/60/442536060.db2.gz SEPGLVPSMBVWCB-CQSZACIVSA-N 0 0 334.420 1.203 10 0 EDAERN CCO[C@H](C)C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191904635 442537661 /nfs/dbraw/zinc/53/76/61/442537661.db2.gz PRROLBITRJEBSG-CYBMUJFWSA-N 0 0 328.453 1.676 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C12CCOCC2 ZINC000186452117 442537863 /nfs/dbraw/zinc/53/78/63/442537863.db2.gz PGPBIMYLJJWUPI-HUUCEWRRSA-N 0 0 330.388 1.662 10 0 EDAERN CCOc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1OC ZINC000172765805 442538366 /nfs/dbraw/zinc/53/83/66/442538366.db2.gz FFFGKPAPZDPRRH-HNNXBMFYSA-N 0 0 334.416 1.641 10 0 EDAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000191910786 442539305 /nfs/dbraw/zinc/53/93/05/442539305.db2.gz VXLSBQKSBAPHJX-OAHLLOKOSA-N 0 0 340.464 1.820 10 0 EDAERN Cc1cccc(OCCNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000186478801 442542615 /nfs/dbraw/zinc/54/26/15/442542615.db2.gz SEBSBTDYFBNGDG-UHFFFAOYSA-N 0 0 331.416 1.684 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)cn1 ZINC000180282468 442573074 /nfs/dbraw/zinc/57/30/74/442573074.db2.gz DJDGZDFIZBJYNU-UHFFFAOYSA-N 0 0 343.431 1.660 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)N[C@@H]3CCOC3)CC2)cn1 ZINC000179150270 442583826 /nfs/dbraw/zinc/58/38/26/442583826.db2.gz YONJUOHVFFCRCB-MRXNPFEDSA-N 0 0 335.452 1.299 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)NCCOCc2ccc(OC)cc2)C1 ZINC000180358604 442586752 /nfs/dbraw/zinc/58/67/52/442586752.db2.gz MRAXIDIWZKSVFA-INIZCTEOSA-N 0 0 335.448 1.995 10 0 EDAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000173049167 442594545 /nfs/dbraw/zinc/59/45/45/442594545.db2.gz SMZNGASUCVJPFQ-WFASDCNBSA-N 0 0 329.448 1.965 10 0 EDAERN O=C(N[C@H]1CCCC[C@@H]1CO)C1=NN(c2ccccc2)C(=O)CC1 ZINC000179231631 442601835 /nfs/dbraw/zinc/60/18/35/442601835.db2.gz CYZQQNFYYKCYBV-HIFRSBDPSA-N 0 0 329.400 1.837 10 0 EDAERN COCCC(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192157298 442605147 /nfs/dbraw/zinc/60/51/47/442605147.db2.gz HDLHAHWPZXBPMA-AWEZNQCLSA-N 0 0 328.453 1.678 10 0 EDAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@@H]1CCCC[C@@H]1CO ZINC000179249295 442605380 /nfs/dbraw/zinc/60/53/80/442605380.db2.gz OTWUVWOWQCNNIE-TZMCWYRMSA-N 0 0 344.415 1.350 10 0 EDAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cn(Cc2cccc(F)c2)nn1 ZINC000179251423 442605425 /nfs/dbraw/zinc/60/54/25/442605425.db2.gz HFJDZDDFAMUBRM-ZFWWWQNUSA-N 0 0 332.379 1.746 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000186761415 442607191 /nfs/dbraw/zinc/60/71/91/442607191.db2.gz BCMKONXKSWVLNX-CYBMUJFWSA-N 0 0 335.335 1.668 10 0 EDAERN CCC[C@](C)(CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000180236310 442563526 /nfs/dbraw/zinc/56/35/26/442563526.db2.gz NLZZEXAOPFYKGO-XHDPSFHLSA-N 0 0 346.424 1.160 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C)c3)CCO2)[nH]1 ZINC000180235581 442563576 /nfs/dbraw/zinc/56/35/76/442563576.db2.gz HEFUPLMHKUSXEI-ZDUSSCGKSA-N 0 0 343.387 1.214 10 0 EDAERN COCCOc1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccn1 ZINC000180683784 442647641 /nfs/dbraw/zinc/64/76/41/442647641.db2.gz VHFPTKDSVQFSGU-MAUKXSAKSA-N 0 0 334.416 1.874 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000186838745 442619704 /nfs/dbraw/zinc/61/97/04/442619704.db2.gz DFMAGVYXIOWVDV-UONOGXRCSA-N 0 0 329.404 1.698 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000186864540 442621935 /nfs/dbraw/zinc/62/19/35/442621935.db2.gz ABOKZPOSIIEFSR-KBPBESRZSA-N 0 0 345.365 1.962 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000180574940 442625743 /nfs/dbraw/zinc/62/57/43/442625743.db2.gz QTHMWMYCUKFDRK-CHWSQXEVSA-N 0 0 346.493 1.653 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000181236910 442685965 /nfs/dbraw/zinc/68/59/65/442685965.db2.gz JHHVLFCFDQFBKQ-OAHLLOKOSA-N 0 0 339.411 1.955 10 0 EDAERN O=C(NCCCn1ccnn1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187797367 442692393 /nfs/dbraw/zinc/69/23/93/442692393.db2.gz VYVZGWRDZYDFSI-KBPBESRZSA-N 0 0 335.433 1.147 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000187938693 442698895 /nfs/dbraw/zinc/69/88/95/442698895.db2.gz BZAQGRNYJIPOST-OTRWWLKZSA-N 0 0 348.443 1.439 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188019151 442703696 /nfs/dbraw/zinc/70/36/96/442703696.db2.gz XKGHWCWIPDLOQR-UHFFFAOYSA-N 0 0 329.400 1.315 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCCC(C)(C)CO)CC2 ZINC000181604056 442706334 /nfs/dbraw/zinc/70/63/34/442706334.db2.gz XRQKGZKYEQNTLN-CYBMUJFWSA-N 0 0 337.468 1.814 10 0 EDAERN COc1ccc(CC(C)(C)NC(=O)NCC(=O)NCC2CC2)cc1 ZINC000187361227 442671762 /nfs/dbraw/zinc/67/17/62/442671762.db2.gz KXNHCYBHUGZVBK-UHFFFAOYSA-N 0 0 333.432 1.842 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)/C=C/c3cncc(O)c3)C2)no1 ZINC000181978922 442724849 /nfs/dbraw/zinc/72/48/49/442724849.db2.gz YDSVRVXTZLZNGZ-ISZGNANSSA-N 0 0 328.372 1.973 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000193322267 442733043 /nfs/dbraw/zinc/73/30/43/442733043.db2.gz VUZVSRSHAAZHPS-LBPRGKRZSA-N 0 0 342.403 1.175 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCc1cscn1)CC2 ZINC000181662088 442708937 /nfs/dbraw/zinc/70/89/37/442708937.db2.gz WCBYXYYHHWDHPQ-LLVKDONJSA-N 0 0 334.449 1.715 10 0 EDAERN CCc1ccccc1NC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246522555 442788543 /nfs/dbraw/zinc/78/85/43/442788543.db2.gz RHGAJXHHKQGIJQ-QAPCUYQASA-N 0 0 331.460 1.840 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000246681624 442801283 /nfs/dbraw/zinc/80/12/83/442801283.db2.gz IUEOOPYDYMAUGA-KKUMJFAQSA-N 0 0 348.447 1.110 10 0 EDAERN CS(=O)(=O)N1CC(CNC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000188562990 442764085 /nfs/dbraw/zinc/76/40/85/442764085.db2.gz KIANFFJMCNXUBL-HNNXBMFYSA-N 0 0 337.445 1.255 10 0 EDAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000188597435 442766773 /nfs/dbraw/zinc/76/67/73/442766773.db2.gz XYRRZHHKPZEQSG-LBPRGKRZSA-N 0 0 337.339 1.007 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)[C@H]2CCCO2)ncn1 ZINC000246388179 442777883 /nfs/dbraw/zinc/77/78/83/442777883.db2.gz QWOBGDLZPATOAU-MGPQQGTHSA-N 0 0 348.451 1.354 10 0 EDAERN Cc1ncc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1 ZINC000182545848 442784477 /nfs/dbraw/zinc/78/44/77/442784477.db2.gz YOZSZBIGPUMMJR-SNVBAGLBSA-N 0 0 333.413 1.988 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H]2SCCc3ccccc32)C[C@@H]1C ZINC000246739320 442809181 /nfs/dbraw/zinc/80/91/81/442809181.db2.gz FZOSGGKMQPQALN-ZQIUZPCESA-N 0 0 334.485 1.931 10 0 EDAERN C[C@@H](CNC(=O)c1cc(N(C)C)nc2ccccc21)N1CCOCC1 ZINC000182708270 442810856 /nfs/dbraw/zinc/81/08/56/442810856.db2.gz XRLFZIJHKUUSFF-AWEZNQCLSA-N 0 0 342.443 1.751 10 0 EDAERN Cn1nnc2ccc(C(=O)N[C@H]3CCCN(c4cccnn4)C3)cc21 ZINC000182707634 442811228 /nfs/dbraw/zinc/81/12/28/442811228.db2.gz FNWANYIJOJJAJZ-ZDUSSCGKSA-N 0 0 337.387 1.157 10 0 EDAERN CC(C)(C)OC[C@@H](O)CN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000246832935 442816643 /nfs/dbraw/zinc/81/66/43/442816643.db2.gz OGNGZKMOXQXVOP-RYUDHWBXSA-N 0 0 327.450 1.722 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1ccccc1CN1CCNC1=O ZINC000182754735 442818831 /nfs/dbraw/zinc/81/88/31/442818831.db2.gz REPKQORQVSKKDA-BBRMVZONSA-N 0 0 346.431 1.884 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCCCOC(C)C)CCO2)[nH]1 ZINC000182762695 442821291 /nfs/dbraw/zinc/82/12/91/442821291.db2.gz POZCMFIBCLKZOH-ZDUSSCGKSA-N 0 0 325.413 1.401 10 0 EDAERN C/C=C/c1ccc(OCC(=O)N2CCCNC(=O)[C@H]2C)c(OC)c1 ZINC000188848743 442827382 /nfs/dbraw/zinc/82/73/82/442827382.db2.gz UTJGJEALDLFSFV-DIECRNLCSA-N 0 0 332.400 1.844 10 0 EDAERN COCCN1CCN(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)C[C@H]1C ZINC000247109148 442835647 /nfs/dbraw/zinc/83/56/47/442835647.db2.gz RAHCJADCOXLCCP-IKGGRYGDSA-N 0 0 341.496 1.800 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)/C=C/c3scnc3C)CCO2)c1 ZINC000188914394 442841006 /nfs/dbraw/zinc/84/10/06/442841006.db2.gz CSTXJWJKZGWUKO-XGACYXMMSA-N 0 0 332.429 1.897 10 0 EDAERN COc1ccc(Cn2cc(C(=O)N3CCCNC(=O)[C@@H]3C)cn2)cc1 ZINC000188935499 442845432 /nfs/dbraw/zinc/84/54/32/442845432.db2.gz QJUBCGMHAJTPTM-ZDUSSCGKSA-N 0 0 342.399 1.291 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000189228994 442901446 /nfs/dbraw/zinc/90/14/46/442901446.db2.gz ROZFRTFDLXPTFD-AWEZNQCLSA-N 0 0 330.454 1.253 10 0 EDAERN Cc1csc([C@@H]2CN(C(=O)NCC(=O)NCC3CC3)CCO2)n1 ZINC000194351780 442880969 /nfs/dbraw/zinc/88/09/69/442880969.db2.gz VTLOKTLDUJTKSP-LBPRGKRZSA-N 0 0 338.433 1.061 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000189229859 442901488 /nfs/dbraw/zinc/90/14/88/442901488.db2.gz UYRFCPMPUBJZJG-GOEBONIOSA-N 0 0 347.484 1.514 10 0 EDAERN Cc1ccccc1CN1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000183136069 442886754 /nfs/dbraw/zinc/88/67/54/442886754.db2.gz NOCOXLPSPTZWPQ-HKUYNNGSSA-N 0 0 345.487 1.796 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1 ZINC000189189616 442895017 /nfs/dbraw/zinc/89/50/17/442895017.db2.gz IHBRIZGWEUXQHP-UHFFFAOYSA-N 0 0 342.395 1.437 10 0 EDAERN Cn1c(Cn2cc(CCCO)c(C(F)(F)F)n2)nnc1C1CC1 ZINC000183286286 442917176 /nfs/dbraw/zinc/91/71/76/442917176.db2.gz NDOZYOHNSQXMIJ-UHFFFAOYSA-N 0 0 329.326 1.881 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2ccnc(OCc3ccccc3)c2)C1 ZINC000194603588 442921757 /nfs/dbraw/zinc/92/17/57/442921757.db2.gz SDTSHINRZNDXLW-KRWDZBQOSA-N 0 0 341.411 1.721 10 0 EDAERN CN1CCO[C@H](CNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000194624842 442926695 /nfs/dbraw/zinc/92/66/95/442926695.db2.gz LTPXNVGDOGTOCA-LLVKDONJSA-N 0 0 333.215 1.819 10 0 EDAERN COc1cc(C(=O)NC[C@@H]2CN(C)CCO2)ccc1OCC(C)C ZINC000194635904 442928511 /nfs/dbraw/zinc/92/85/11/442928511.db2.gz BERNGZJKIWHEPU-OAHLLOKOSA-N 0 0 336.432 1.790 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194689078 442937091 /nfs/dbraw/zinc/93/70/91/442937091.db2.gz JELTWLJSDLHELT-MRXNPFEDSA-N 0 0 331.416 1.645 10 0 EDAERN COc1ccc2cc(C(=O)N3CC(NC(=O)C4CC4)C3)c(C)nc2c1 ZINC000189416670 442946358 /nfs/dbraw/zinc/94/63/58/442946358.db2.gz KJEHFPPGPRHUHS-UHFFFAOYSA-N 0 0 339.395 1.902 10 0 EDAERN Cc1c([C@@H](C)NC(=O)[C@H]2CNC(=O)C2)cnn1-c1ccc(F)cc1 ZINC000194795760 442954534 /nfs/dbraw/zinc/95/45/34/442954534.db2.gz VYPKNWWCOIFSPD-ZYHUDNBSSA-N 0 0 330.363 1.633 10 0 EDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccccc2Cl)n1 ZINC000183745654 442958612 /nfs/dbraw/zinc/95/86/12/442958612.db2.gz XVUZVQDPVAQEHJ-LLVKDONJSA-N 0 0 343.792 1.794 10 0 EDAERN O=C(NCCOc1ccc(Br)cc1)[C@H]1CNC(=O)C1 ZINC000194831981 442959709 /nfs/dbraw/zinc/95/97/09/442959709.db2.gz URWXFYAWTNLTCR-SECBINFHSA-N 0 0 327.178 1.080 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)NCC(=O)NCC3CC3)C2)n1 ZINC000183775722 442962944 /nfs/dbraw/zinc/96/29/44/442962944.db2.gz QVJKFCGKLXYZTI-ZDUSSCGKSA-N 0 0 336.461 1.867 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000183789871 442965078 /nfs/dbraw/zinc/96/50/78/442965078.db2.gz IWXQQLMIZRKUNU-LBPRGKRZSA-N 0 0 326.418 1.125 10 0 EDAERN O=C(CCCOc1ccc(F)cc1F)N1CC(NC(=O)C2CC2)C1 ZINC000189502764 442969351 /nfs/dbraw/zinc/96/93/51/442969351.db2.gz DUZRZJKMXQTNHH-UHFFFAOYSA-N 0 0 338.354 1.861 10 0 EDAERN COC(=O)N[C@@H](CC(C)C)C(=O)NCCc1nnc2n1CCCC2 ZINC000184121769 442994130 /nfs/dbraw/zinc/99/41/30/442994130.db2.gz OIFKOYNNYKMGCP-LBPRGKRZSA-N 0 0 337.424 1.044 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N[C@@H]2C[C@H](O)C2(C)C)[C@@H]1c1ccc(F)cc1 ZINC000250060721 443010709 /nfs/dbraw/zinc/01/07/09/443010709.db2.gz MXFIGDBPWPUVLU-FQLMCAECSA-N 0 0 334.391 1.621 10 0 EDAERN COCc1cccc(CC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000189930503 443031883 /nfs/dbraw/zinc/03/18/83/443031883.db2.gz XVVJMMXFOPONPZ-OAHLLOKOSA-N 0 0 330.388 1.402 10 0 EDAERN CC(C)[C@H](C)NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000190366546 443094061 /nfs/dbraw/zinc/09/40/61/443094061.db2.gz UXZPJRQAXZEUOZ-LBPRGKRZSA-N 0 0 328.434 1.296 10 0 EDAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cnn(CC(F)(F)F)c1 ZINC000184905005 443095441 /nfs/dbraw/zinc/09/54/41/443095441.db2.gz ZJCUZVOTULFIKI-ONGXEEELSA-N 0 0 341.355 1.275 10 0 EDAERN O=S(=O)(NC1COC1)c1cnc(Cl)c(Br)c1 ZINC000224136030 443097203 /nfs/dbraw/zinc/09/72/03/443097203.db2.gz FGHQHASQOZMCPU-UHFFFAOYSA-N 0 0 327.587 1.175 10 0 EDAERN CCn1ccc(C(=O)N2C[C@@H](COc3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000253415100 443061065 /nfs/dbraw/zinc/06/10/65/443061065.db2.gz ZQDOXPIIQBMTLD-DZGCQCFKSA-N 0 0 342.399 1.156 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1c(C)cccc1F)CC2 ZINC000184730016 443067883 /nfs/dbraw/zinc/06/78/83/443067883.db2.gz AODGMLZOFOBMNH-LLVKDONJSA-N 0 0 338.408 1.581 10 0 EDAERN CN(Cc1cc[nH]n1)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000221330685 443071357 /nfs/dbraw/zinc/07/13/57/443071357.db2.gz NEKBGGRRSFRKRB-UHFFFAOYSA-N 0 0 347.440 1.894 10 0 EDAERN COc1ccc(/C=C\C(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000255582789 443104536 /nfs/dbraw/zinc/10/45/36/443104536.db2.gz KEZXIYBWWAAVQZ-IBSXUBTNSA-N 0 0 328.372 1.440 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C\c1ccc2ccc(Cl)cc2n1 ZINC000255916759 443115034 /nfs/dbraw/zinc/11/50/34/443115034.db2.gz KWGGMXPJYAFFGS-YVACAVLKSA-N 0 0 345.786 1.614 10 0 EDAERN COCCC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000185007854 443116473 /nfs/dbraw/zinc/11/64/73/443116473.db2.gz MWHZEEHPVMBPKW-CYBMUJFWSA-N 0 0 336.436 1.403 10 0 EDAERN CCS(=O)(=O)CCCCCN1CCCN(c2cccnn2)CC1 ZINC000190520292 443125334 /nfs/dbraw/zinc/12/53/34/443125334.db2.gz HNPPJXJQXZQHCL-UHFFFAOYSA-N 0 0 340.493 1.594 10 0 EDAERN COc1c(CNCc2cnc(N3CCOCC3)c(F)c2)c(C)nn1C ZINC000185072728 443129953 /nfs/dbraw/zinc/12/99/53/443129953.db2.gz YQKNTEDNWLXAOY-UHFFFAOYSA-N 0 0 349.410 1.398 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC1CC(OCC)C1 ZINC000190741493 443174328 /nfs/dbraw/zinc/17/43/28/443174328.db2.gz YTRVYYSHLPMDAQ-NRXISQOPSA-N 0 0 346.493 1.512 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000185304523 443179302 /nfs/dbraw/zinc/17/93/02/443179302.db2.gz IMQNWIFHPPINML-MSOLQXFVSA-N 0 0 338.407 1.917 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC2(CC2)C1 ZINC000185401285 443194925 /nfs/dbraw/zinc/19/49/25/443194925.db2.gz KTMCTAAYTVHLAT-GFCCVEGCSA-N 0 0 347.440 1.516 10 0 EDAERN COc1c(C)cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1C ZINC000190988011 443219652 /nfs/dbraw/zinc/21/96/52/443219652.db2.gz CXCULASNGIGQEZ-GFCCVEGCSA-N 0 0 326.418 1.211 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCc2cscn2)C12CCOCC2 ZINC000185640955 443231873 /nfs/dbraw/zinc/23/18/73/443231873.db2.gz YIZQGZFLNGFKBT-QWHCGFSZSA-N 0 0 325.434 1.917 10 0 EDAERN CCS(=O)(=O)CCCCCN1CCOC[C@@H]1c1nc(C)no1 ZINC000191079565 443236709 /nfs/dbraw/zinc/23/67/09/443236709.db2.gz MPTIGCVZPPIBQZ-CYBMUJFWSA-N 0 0 331.438 1.356 10 0 EDAERN COc1cccc(Cl)c1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000190978363 443218942 /nfs/dbraw/zinc/21/89/42/443218942.db2.gz BSVOWZVVDJALNO-GFCCVEGCSA-N 0 0 341.839 1.869 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCOC3CCCC3)CCO2)cn1 ZINC000191368925 443285277 /nfs/dbraw/zinc/28/52/77/443285277.db2.gz SEAWPTFNHNQFCI-MRXNPFEDSA-N 0 0 336.436 1.945 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-c2cncnc2)cc1F ZINC000186000686 443295755 /nfs/dbraw/zinc/29/57/55/443295755.db2.gz WNXPZENTULMYHK-ZDUSSCGKSA-N 0 0 338.346 1.619 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2c[nH]nc2C2CC2)cn1 ZINC000276922093 443874292 /nfs/dbraw/zinc/87/42/92/443874292.db2.gz TVIFXPHBIGKJAD-XJKSGUPXSA-N 0 0 328.372 1.951 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(C(C)(C)C)on3)CCO2)o1 ZINC000328636864 444406742 /nfs/dbraw/zinc/40/67/42/444406742.db2.gz VSDVZLCILLIJDL-JTQLQIEISA-N 0 0 335.364 2.269 10 0 EDAERN Cc1nnc([C@H]2COCCN2C(=O)c2ccc(OCC3CC3)nc2)o1 ZINC000328609759 444392493 /nfs/dbraw/zinc/39/24/93/444392493.db2.gz FSZSZNCHHZVGTQ-CQSZACIVSA-N 0 0 344.371 1.776 10 0 EDAERN OCCOc1cncc(N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000375441611 446801634 /nfs/dbraw/zinc/80/16/34/446801634.db2.gz SRZFWSJNQIQVMX-LBPRGKRZSA-N 0 0 331.376 1.492 10 0 EDAERN CC(C)CCS(=O)(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616388 448442428 /nfs/dbraw/zinc/44/24/28/448442428.db2.gz MLEZQVJFALGTPK-CQSZACIVSA-N 0 0 330.454 1.128 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)c1 ZINC000583616476 448443440 /nfs/dbraw/zinc/44/34/40/448443440.db2.gz ZTTXZKKQUWWPGG-OAGGEKHMSA-N 0 0 339.457 1.854 10 0 EDAERN CN1C(=O)C[C@@H](NCc2nncn2-c2ccccc2)[C@@H]1c1cccnc1 ZINC000583620144 448450544 /nfs/dbraw/zinc/45/05/44/448450544.db2.gz GPZDKTWLMLKPEY-APWZRJJASA-N 0 0 348.410 1.724 10 0 EDAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)Nc2ccc(C(C)(C)C)nn2)n1 ZINC000583621762 448453423 /nfs/dbraw/zinc/45/34/23/448453423.db2.gz KUPHTVBSFCGWBH-WDEREUQCSA-N 0 0 346.391 1.805 10 0 EDAERN Cc1ccccc1[C@@H](C)NC(=O)N1CCO[C@H](c2nncn2C)C1 ZINC000583623936 448454241 /nfs/dbraw/zinc/45/42/41/448454241.db2.gz WVSWTXJHJUHZEK-HIFRSBDPSA-N 0 0 329.404 1.968 10 0 EDAERN Cc1ccc(Oc2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1 ZINC000584596562 448582779 /nfs/dbraw/zinc/58/27/79/448582779.db2.gz KCRKILASLQZJIL-UHFFFAOYSA-N 0 0 331.357 1.615 10 0 EDAERN O=C1NCNC12CCN(c1c(Cl)cncc1Br)CC2 ZINC000584615575 448584986 /nfs/dbraw/zinc/58/49/86/448584986.db2.gz WWWQWQLECCSIHV-UHFFFAOYSA-N 0 0 345.628 1.513 10 0 EDAERN Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c(C)n1-c1cnccn1 ZINC000529266831 448802786 /nfs/dbraw/zinc/80/27/86/448802786.db2.gz CWPLTUAWDKCGAJ-RISCZKNCSA-N 0 0 327.388 1.281 10 0 EDAERN CCc1nnc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)o1 ZINC000548336290 449022095 /nfs/dbraw/zinc/02/20/95/449022095.db2.gz FKRXVEWUFMKKMB-OAHLLOKOSA-N 0 0 335.433 1.634 10 0 EDAERN Nc1cc([C@@H]2COCCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000616599520 450454613 /nfs/dbraw/zinc/45/46/13/450454613.db2.gz WCWVWAOVYLAWJQ-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](OC(F)(F)F)CC1 ZINC000616664991 450458893 /nfs/dbraw/zinc/45/88/93/450458893.db2.gz GCWYVCMAMUXTGH-NSHDSACASA-N 0 0 325.308 1.960 10 0 EDAERN O=C(COc1ccc(F)cc1Br)NC1CC(CO)C1 ZINC000620889138 450555124 /nfs/dbraw/zinc/55/51/24/450555124.db2.gz JGVSPUYNHKDSIY-UHFFFAOYSA-N 0 0 332.169 1.854 10 0 EDAERN CO[C@@H]1CN(c2ccc(-n3nc(C)cc3C)nn2)C[C@H]1c1c[nH]nn1 ZINC000621337918 450691016 /nfs/dbraw/zinc/69/10/16/450691016.db2.gz NUJSZZKBIGMNEV-GXTWGEPZSA-N 0 0 340.391 1.016 10 0 EDAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccnn1CCc1ccccc1 ZINC000622005123 450983510 /nfs/dbraw/zinc/98/35/10/450983510.db2.gz YTYZVTBKIKHWPD-HIFRSBDPSA-N 0 0 326.400 1.523 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1cc(F)ccc1Br ZINC000633930598 451114543 /nfs/dbraw/zinc/11/45/43/451114543.db2.gz WJQHHRJQRXXATR-NSHDSACASA-N 0 0 345.212 1.991 10 0 EDAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(C)cc1Br ZINC000664274223 452956965 /nfs/dbraw/zinc/95/69/65/452956965.db2.gz XTVRDDDIQSWBTM-NXEZZACHSA-N 0 0 335.223 1.376 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1cnn(-c2ccccc2)c1 ZINC000644327024 453305951 /nfs/dbraw/zinc/30/59/51/453305951.db2.gz CPXYEWAJMGSCEM-HNNXBMFYSA-N 0 0 328.372 1.184 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC=C(c2ccccc2)C1 ZINC000644473502 453499360 /nfs/dbraw/zinc/49/93/60/453499360.db2.gz XSDRTZDDGSNIBJ-KRWDZBQOSA-N 0 0 328.412 1.676 10 0 EDAERN Cn1ncc(NC(=O)CN2CCCC[C@@H](O)C2=O)c1-c1ccccc1 ZINC000644482111 453506985 /nfs/dbraw/zinc/50/69/85/453506985.db2.gz DJYXMHWRPWYFDA-OAHLLOKOSA-N 0 0 342.399 1.399 10 0 EDAERN COc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)c(C)c1 ZINC000074775075 486798688 /nfs/dbraw/zinc/79/86/88/486798688.db2.gz GCWLPAXOLDVEJP-OAHLLOKOSA-N 0 0 342.461 1.263 10 0 EDAERN O=S([O-])(=S)OCC[NH2+]C[C@@H](O)CCCCCCCCCO ZINC000584649346 485899724 /nfs/dbraw/zinc/89/97/24/485899724.db2.gz QKWDWALIJLVLCX-ZDUSSCGKSA-N 0 0 343.511 1.201 10 0 EDAERN CCn1ccc(C(=O)N(C)[C@H]2CCN(c3nccnc3OC)C2)n1 ZINC000065269016 490997235 /nfs/dbraw/zinc/99/72/35/490997235.db2.gz ZIZLQXISOJFYOQ-LBPRGKRZSA-N 0 0 330.392 1.053 10 0 EDAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000121053333 490998698 /nfs/dbraw/zinc/99/86/98/490998698.db2.gz MFPLEYIBYGVRIS-GJZGRUSLSA-N 0 0 341.477 1.981 10 0 EDAERN CSc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173998532 491004528 /nfs/dbraw/zinc/00/45/28/491004528.db2.gz CCRQYRXNTSPUEY-ZDUSSCGKSA-N 0 0 342.486 1.504 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1N1CCOCC1 ZINC000173960506 533875507 /nfs/dbraw/zinc/87/55/07/533875507.db2.gz LIDFPVUZFQNMBV-YJBOKZPZSA-N 0 0 340.427 1.665 10 0 EDAERN COc1ccc(F)cc1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000187922636 533938018 /nfs/dbraw/zinc/93/80/18/533938018.db2.gz YFGHXNFPKCHFHK-HNNXBMFYSA-N 0 0 348.378 1.641 10 0 EDAERN COC(=O)c1cccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173852214 534255740 /nfs/dbraw/zinc/25/57/40/534255740.db2.gz WEQSWJHOZLYLNZ-CJNGLKHVSA-N 0 0 332.400 1.266 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)s1 ZINC000135293365 534498939 /nfs/dbraw/zinc/49/89/39/534498939.db2.gz NXHBHZFMTCBELB-JTQLQIEISA-N 0 0 347.444 1.803 10 0 EDAERN Cc1cnn(CCNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187149106 534745069 /nfs/dbraw/zinc/74/50/69/534745069.db2.gz UVYNVXFBPJZAJC-GJZGRUSLSA-N 0 0 334.445 1.671 10 0 EDAERN O=C(Nc1cc(Cl)ccc1F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979555 534818875 /nfs/dbraw/zinc/81/88/75/534818875.db2.gz KKEKNCRAHAKGQK-UHFFFAOYSA-N 0 0 339.754 1.155 10 0 EDAERN C[C@H](NS(=O)(=O)Cc1cccc(C(N)=S)c1)[C@@H]1CCCO1 ZINC000038005303 525501534 /nfs/dbraw/zinc/50/15/34/525501534.db2.gz XYOBBRVYPVLHBK-GWCFXTLKSA-N 0 0 328.459 1.308 10 0 EDAERN CC(C)(C)[C@@H]1NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168908471 526681909 /nfs/dbraw/zinc/68/19/09/526681909.db2.gz PKAHUJKDEZNKOI-GFCCVEGCSA-N 0 0 340.221 1.717 10 0 EDAERN CC(C)CCc1noc(C[S@](=O)Cc2nnnn2C(C)C)n1 ZINC000176507461 527876760 /nfs/dbraw/zinc/87/67/60/527876760.db2.gz BYOZEVWLNZNCIJ-JOCHJYFZSA-N 0 0 326.426 1.675 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCCc2nccs2)C12CCOCC2 ZINC000185641776 528136633 /nfs/dbraw/zinc/13/66/33/528136633.db2.gz UCWQJRZGRFREOC-STQMWFEESA-N 0 0 339.461 1.959 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCc1cccc(C(=O)NCC)c1 ZINC000184267579 528477226 /nfs/dbraw/zinc/47/72/26/528477226.db2.gz DKBJNTVRKJNFOF-QGZVFWFLSA-N 0 0 347.459 1.553 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000184278277 528478447 /nfs/dbraw/zinc/47/84/47/528478447.db2.gz PWJOAVQYMQMEBD-MRXNPFEDSA-N 0 0 333.432 1.876 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCc2c1cccc2F ZINC000183762846 528809052 /nfs/dbraw/zinc/80/90/52/528809052.db2.gz JVABIJBLPKUURH-HNNXBMFYSA-N 0 0 340.420 1.919 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174009730 529177723 /nfs/dbraw/zinc/17/77/23/529177723.db2.gz MJNVCHVJSMHQKN-MRXNPFEDSA-N 0 0 331.416 1.121 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CN1CCCCCCC1=O)CC2 ZINC000195279896 535027601 /nfs/dbraw/zinc/02/76/01/535027601.db2.gz KGLKWSPQJSEUNY-CQSZACIVSA-N 0 0 347.463 1.625 10 0 EDAERN CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C)n1CC ZINC000091049914 535063967 /nfs/dbraw/zinc/06/39/67/535063967.db2.gz NCFJLYZHICNVKP-SNVBAGLBSA-N 0 0 330.454 1.215 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105855895 535094772 /nfs/dbraw/zinc/09/47/72/535094772.db2.gz QQEAFPNVXNKFTF-CYBMUJFWSA-N 0 0 328.438 1.047 10 0 EDAERN CCO[C@@H](CCNC(=O)NC[C@H](C)N1CCOCC1)C1CCCC1 ZINC000083178340 535742017 /nfs/dbraw/zinc/74/20/17/535742017.db2.gz SEJMIDSPILICDV-RDJZCZTQSA-N 0 0 341.496 1.992 10 0 EDAERN CN[C@H](C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1)c1cnn(C)c1 ZINC000262253970 536383246 /nfs/dbraw/zinc/38/32/46/536383246.db2.gz SVEXNUORHNJVSE-IRXDYDNUSA-N 0 0 346.431 1.318 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2cccc(Br)c2)C1 ZINC000194844852 536434122 /nfs/dbraw/zinc/43/41/22/536434122.db2.gz MQMXJRLNWCRYMC-ZDUSSCGKSA-N 0 0 327.222 1.438 10 0 EDAERN COCCCS(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000248343230 536640015 /nfs/dbraw/zinc/64/00/15/536640015.db2.gz KATZPPDFPGZAKL-JKSUJKDBSA-N 0 0 327.446 1.941 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2C[C@@H](C)C[C@H](O)C2)cn1 ZINC000333572306 536945588 /nfs/dbraw/zinc/94/55/88/536945588.db2.gz ITGRLXPFMMBLSK-ATVPRXPUSA-N 0 0 335.404 1.333 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2ccncc2Br)C1 ZINC000395946389 578299237 /nfs/dbraw/zinc/29/92/37/578299237.db2.gz OIFWTMMRFJJVAH-SNVBAGLBSA-N 0 0 328.210 1.295 10 0 EDAERN O=C(c1ccccc1OCC1CC1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794114226 580875133 /nfs/dbraw/zinc/87/51/33/580875133.db2.gz CEAHAZJXGVXYFB-GOSISDBHSA-N 0 0 342.399 1.717 10 0 EDAERN Cc1c([C@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(N)=O)cnn1C ZINC000888079236 590936146 /nfs/dbraw/zinc/93/61/46/590936146.db2.gz NNZXANIVRBWIER-KGLIPLIRSA-N 0 0 330.363 1.209 10 0 EDAERN Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1cccn2nnnc12 ZINC000896202273 591383266 /nfs/dbraw/zinc/38/32/66/591383266.db2.gz SBVOTOWGYKXKAG-LLVKDONJSA-N 0 0 345.794 1.797 10 0 EDAERN CO[C@@H]1COC[C@H]1n1cc(-c2nc([C@@H]3CC3(Cl)Cl)no2)nn1 ZINC000896809704 591616774 /nfs/dbraw/zinc/61/67/74/591616774.db2.gz JOXRFQNUDAZOQB-NBEYISGCSA-N 0 0 346.174 1.576 10 0 EDAERN C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@H](C)O1 ZINC000108252479 595482142 /nfs/dbraw/zinc/48/21/42/595482142.db2.gz NLZQCJOKULLIMQ-YUMQZZPRSA-N 0 0 339.385 1.994 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CN3CCSC3=O)CC2)n1 ZINC000112070993 596016452 /nfs/dbraw/zinc/01/64/52/596016452.db2.gz NCVJPDWCRQLYQZ-LLVKDONJSA-N 0 0 325.438 1.437 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cn3c(=O)oc4ccccc43)CCO2)c1 ZINC000112071706 596016718 /nfs/dbraw/zinc/01/67/18/596016718.db2.gz MVEJZFOSSFYWCD-CQSZACIVSA-N 0 0 328.372 1.458 10 0 EDAERN Cc1nnc(COC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1C ZINC000118996081 596355688 /nfs/dbraw/zinc/35/56/88/596355688.db2.gz XFLMIVBLUZCYDG-CJNGLKHVSA-N 0 0 346.362 1.525 10 0 EDAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2cccs2)CC1 ZINC000121642585 596405306 /nfs/dbraw/zinc/40/53/06/596405306.db2.gz VPJANGYWZNTRTP-ZIAGYGMSSA-N 0 0 331.441 1.779 10 0 EDAERN CCN1C[C@@H](COC(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1=O ZINC000123922915 596799444 /nfs/dbraw/zinc/79/94/44/596799444.db2.gz SJGGSXFWSJEKFT-XJKSGUPXSA-N 0 0 326.437 1.585 10 0 EDAERN C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179636893 698295826 /nfs/dbraw/zinc/29/58/26/698295826.db2.gz QEWJEVWLVUFVCN-ABAIWWIYSA-N 0 0 334.397 1.245 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NCCCc1c(C)nn(C)c1C ZINC000182293031 700632263 /nfs/dbraw/zinc/63/22/63/700632263.db2.gz DLKZHYAMURFIOI-OAHLLOKOSA-N 0 0 338.452 1.856 10 0 EDAERN O=C(NC1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1)C1CC1 ZINC000186605818 711862639 /nfs/dbraw/zinc/86/26/39/711862639.db2.gz RRROJFZFLDDQDR-UHFFFAOYSA-N 0 0 339.399 1.292 10 0 EDAERN CN(c1nc2c(s1)[C@H](O)CC(C)(C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000054911423 214259398 /nfs/dbraw/zinc/25/93/98/214259398.db2.gz MQOINIIIQOBJGB-MWLCHTKSSA-N 0 0 330.475 1.772 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCCN2C(=O)CNC2=O)o1 ZINC000173495241 230953634 /nfs/dbraw/zinc/95/36/34/230953634.db2.gz PYAHNKTWXFCUDZ-LBPRGKRZSA-N 0 0 334.376 1.376 10 0 EDAERN COC(=O)C[C@H](NC(=O)Cc1csc(N)n1)c1cccs1 ZINC000055272100 214298548 /nfs/dbraw/zinc/29/85/48/214298548.db2.gz ULGXKAUMNSMVPY-VIFPVBQESA-N 0 0 325.415 1.750 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000173734587 231018141 /nfs/dbraw/zinc/01/81/41/231018141.db2.gz BBZVNUZHBAWSCW-ZDUSSCGKSA-N 0 0 340.380 1.323 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C)CCO2)[nH]1 ZINC000173736281 231018864 /nfs/dbraw/zinc/01/88/64/231018864.db2.gz HQJXQXYUXJLFGW-LBPRGKRZSA-N 0 0 340.380 1.323 10 0 EDAERN Cc1c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cnn1C(C)(C)C ZINC000173841371 231048957 /nfs/dbraw/zinc/04/89/57/231048957.db2.gz XCZQURXQNNPWCG-XJKSGUPXSA-N 0 0 334.464 1.739 10 0 EDAERN CC[C@@]1(C)C(=O)N[C@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168879629 529521605 /nfs/dbraw/zinc/52/16/05/529521605.db2.gz BZEZUEUGFLUJEP-OTYXRUKQSA-N 0 0 340.221 1.860 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1)C(=O)N(C)C ZINC000246492410 299101166 /nfs/dbraw/zinc/10/11/66/299101166.db2.gz WFXAUMRQWSZTNY-CWRNSKLLSA-N 0 0 333.432 1.761 10 0 EDAERN CNC(=O)c1ccc(NCCc2ccc(Br)o2)nn1 ZINC000132120709 529942463 /nfs/dbraw/zinc/94/24/63/529942463.db2.gz SWKBUFPVVRIJPO-UHFFFAOYSA-N 0 0 325.166 1.846 10 0 EDAERN CCOC(=O)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)C(=O)O1 ZINC000009071314 201767208 /nfs/dbraw/zinc/76/72/08/201767208.db2.gz MMDKJGDVIXVSDP-NSHDSACASA-N 0 0 326.736 1.345 10 0 EDAERN COc1ccc(Nc2nc(C(=O)NCC(N)=O)cs2)c(OC)c1 ZINC000009239916 201771379 /nfs/dbraw/zinc/77/13/79/201771379.db2.gz KHMKKRFPCNBYMY-UHFFFAOYSA-N 0 0 336.373 1.119 10 0 EDAERN CCCC(=O)O[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000065735046 282597611 /nfs/dbraw/zinc/59/76/11/282597611.db2.gz INMKUQZPEKWDFA-LPUQOGTASA-N 0 0 330.377 1.726 10 0 in-vitro EDAERN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000249468562 539700433 /nfs/dbraw/zinc/70/04/33/539700433.db2.gz RDZXRKSOSBEGGP-GOEBONIOSA-N 0 0 338.473 1.558 10 0 EDAERN CN1C(=O)C[C@H](C(=O)Nc2nccn(C)c2=O)[C@@H]1c1ccc(F)cc1 ZINC000089918218 282641910 /nfs/dbraw/zinc/64/19/10/282641910.db2.gz PPRQLHGIODRNIL-JSGCOSHPSA-N 0 0 344.346 1.078 10 0 EDAERN C[C@H](NC(=O)c1ccccc1-n1ccnn1)C(=O)N1CCCCC1 ZINC000182311093 234548605 /nfs/dbraw/zinc/54/86/05/234548605.db2.gz GVPQNAKKZOPGTE-ZDUSSCGKSA-N 0 0 327.388 1.398 10 0 EDAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000182692701 234722203 /nfs/dbraw/zinc/72/22/03/234722203.db2.gz OXUCPCAQJNADGS-LSDHHAIUSA-N 0 0 347.463 1.867 10 0 EDAERN COCCOc1ccccc1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000175965511 540098962 /nfs/dbraw/zinc/09/89/62/540098962.db2.gz PURGDXRZAJRZGZ-ZDUSSCGKSA-N 0 0 331.376 1.960 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cnn(CC(C)C)c1C(F)F)C(C)C ZINC000179441875 540118192 /nfs/dbraw/zinc/11/81/92/540118192.db2.gz TUCKRXCQYUMQPW-LLVKDONJSA-N 0 0 330.379 1.977 10 0 EDAERN Cn1ccc(CC(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000181445243 540127127 /nfs/dbraw/zinc/12/71/27/540127127.db2.gz OQWOYPWTJJQPHM-UHFFFAOYSA-N 0 0 344.463 1.259 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184566676 540143917 /nfs/dbraw/zinc/14/39/17/540143917.db2.gz NEIVPPBFCAVVSW-LLVKDONJSA-N 0 0 341.437 1.215 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)C(C)C ZINC000183690113 540140180 /nfs/dbraw/zinc/14/01/80/540140180.db2.gz AXMFUNHUGDMJLP-IAGOWNOFSA-N 0 0 347.459 1.071 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](CCc2ccccc2)C1)C(C)C ZINC000183771659 540140954 /nfs/dbraw/zinc/14/09/54/540140954.db2.gz CVLCMAHEEXQJKM-DLBZAZTESA-N 0 0 347.459 1.800 10 0 EDAERN CCc1nnc(CN[C@H](CO)c2cccc(Br)c2)n1C ZINC000183901320 235256618 /nfs/dbraw/zinc/25/66/18/235256618.db2.gz MJXYTDOEZOXKAU-GFCCVEGCSA-N 0 0 339.237 1.963 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ncc(Br)s1 ZINC000192420109 540178631 /nfs/dbraw/zinc/17/86/31/540178631.db2.gz XAQGATHWTRRPKH-ZCFIWIBFSA-N 0 0 328.195 1.242 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)C[C@@H](C)O1 ZINC000192973426 540181026 /nfs/dbraw/zinc/18/10/26/540181026.db2.gz ZWVHRNNQQDYICA-RKDXNWHRSA-N 0 0 331.294 1.675 10 0 EDAERN Nc1nnc(CCCNS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000020201292 202035978 /nfs/dbraw/zinc/03/59/78/202035978.db2.gz UMJXPZWURKHFTA-UHFFFAOYSA-N 0 0 332.838 1.685 10 0 EDAERN Nn1c(SCc2nnc(C(F)(F)F)o2)nnc1C(F)(F)F ZINC000020841660 202055956 /nfs/dbraw/zinc/05/59/56/202055956.db2.gz WHRFLLQPIYJYMW-UHFFFAOYSA-N 0 0 334.205 1.705 10 0 EDAERN COc1cc(NC(=O)CSc2nnc(C)n2N)ccc1Cl ZINC000020842508 202055988 /nfs/dbraw/zinc/05/59/88/202055988.db2.gz OTYDSKBQDRLLPM-UHFFFAOYSA-N 0 0 327.797 1.693 10 0 EDAERN C[C@H](NC(=O)c1cccc(C(=O)N(C)C)c1)c1nnc2n1CCCC2 ZINC000135387816 299247805 /nfs/dbraw/zinc/24/78/05/299247805.db2.gz LNDQMBGKEDOJOO-LBPRGKRZSA-N 0 0 341.415 1.807 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000087250773 138271570 /nfs/dbraw/zinc/27/15/70/138271570.db2.gz RHSASURMEJIHGY-RNCFNFMXSA-N 0 0 347.341 1.384 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1cccc(Br)c1 ZINC000091784030 138285006 /nfs/dbraw/zinc/28/50/06/138285006.db2.gz YTBAHFYFUHAZAK-LBPRGKRZSA-N 0 0 341.205 1.094 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CSc1ccc2ccccc2c1 ZINC000091784151 138285075 /nfs/dbraw/zinc/28/50/75/138285075.db2.gz ANDANLRBEZDEMH-HNNXBMFYSA-N 0 0 330.409 1.645 10 0 EDAERN O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCOCC1 ZINC000025969658 202138179 /nfs/dbraw/zinc/13/81/79/202138179.db2.gz ITGANCNSYZGLLQ-UHFFFAOYSA-N 0 0 335.363 1.858 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)CC1=O ZINC000093151623 138292277 /nfs/dbraw/zinc/29/22/77/138292277.db2.gz YWVNOOPQUWFXMR-SNVBAGLBSA-N 0 0 345.852 1.963 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CCC[C@@H](n3cncn3)C2)CCCC1 ZINC000105854885 138302188 /nfs/dbraw/zinc/30/21/88/138302188.db2.gz KYQDJRFYRTTYLG-CYBMUJFWSA-N 0 0 334.424 1.074 10 0 EDAERN C[C@H](C(=O)NCC(F)(F)F)N1CCCN(c2cccnn2)CC1 ZINC000105909326 138302522 /nfs/dbraw/zinc/30/25/22/138302522.db2.gz QTTQKEVLRZFUSC-LLVKDONJSA-N 0 0 331.342 1.056 10 0 EDAERN CCn1cc(C2CC[NH+](Cc3cc(=O)n4[n-]ccc4n3)CC2)cn1 ZINC000108858256 138305444 /nfs/dbraw/zinc/30/54/44/138305444.db2.gz HJLAVUWTSYDESX-UHFFFAOYSA-N 0 0 326.404 1.619 10 0 EDAERN CCOc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000112749356 138309489 /nfs/dbraw/zinc/30/94/89/138309489.db2.gz CDRIEHXCKFVZCY-LBPRGKRZSA-N 0 0 333.367 1.630 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(OC)c1)CC2 ZINC000114875358 138310778 /nfs/dbraw/zinc/31/07/78/138310778.db2.gz PXHUKHWKJKPZBF-ZDUSSCGKSA-N 0 0 329.404 1.663 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CCOC)Cc1ccco1)CC2 ZINC000114978033 138311036 /nfs/dbraw/zinc/31/10/36/138311036.db2.gz BQHDZHRRRGTGRW-ZDUSSCGKSA-N 0 0 347.419 1.607 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1F)CC2 ZINC000114978012 138311148 /nfs/dbraw/zinc/31/11/48/138311148.db2.gz MMMNDKWAVIPSEL-SMDDNHRTSA-N 0 0 347.394 1.327 10 0 EDAERN COc1c(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)c(C)nn1C ZINC000116781923 138312075 /nfs/dbraw/zinc/31/20/75/138312075.db2.gz FDHOXVWABZTYRY-AWEZNQCLSA-N 0 0 346.435 1.498 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000123626165 138319922 /nfs/dbraw/zinc/31/99/22/138319922.db2.gz CVHUVXAJPMEIQE-CYBMUJFWSA-N 0 0 343.431 1.906 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000123626398 138320028 /nfs/dbraw/zinc/32/00/28/138320028.db2.gz CVHUVXAJPMEIQE-ZDUSSCGKSA-N 0 0 343.431 1.906 10 0 EDAERN Cc1cccc(NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000123989587 138322953 /nfs/dbraw/zinc/32/29/53/138322953.db2.gz JCXZPALLIGSQHX-LLVKDONJSA-N 0 0 334.401 1.920 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCCO[C@H]1CCOC1 ZINC000126837897 138338569 /nfs/dbraw/zinc/33/85/69/138338569.db2.gz MTSWARHOHFNZDJ-CVEARBPZSA-N 0 0 336.436 1.561 10 0 EDAERN CC(C)C[C@H](C)N(C)C(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000131356620 138358036 /nfs/dbraw/zinc/35/80/36/138358036.db2.gz ROFHNBKKOYBXLS-YTEVENLXSA-N 0 0 329.470 1.396 10 0 EDAERN CSCc1noc(CCC(=O)N2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000132234521 138373336 /nfs/dbraw/zinc/37/33/36/138373336.db2.gz VMOBEQZPLUWCFV-CYBMUJFWSA-N 0 0 348.428 1.940 10 0 EDAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000136360697 138432481 /nfs/dbraw/zinc/43/24/81/138432481.db2.gz OAMISQYOEXHNBJ-GFCCVEGCSA-N 0 0 325.434 1.262 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCNC(=O)C2CC2)C12CCCC2 ZINC000152981649 138486603 /nfs/dbraw/zinc/48/66/03/138486603.db2.gz AORSMVWIIMRBKY-LSDHHAIUSA-N 0 0 337.464 1.892 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3ccc(OC)cc3OC)CCO2)[nH]1 ZINC000129072028 138623787 /nfs/dbraw/zinc/62/37/87/138623787.db2.gz CQTGIMSYHNNEAQ-OAHLLOKOSA-N 0 0 332.404 1.958 10 0 EDAERN Nc1cc(Cl)c(NC(=O)CN2C(=O)[C@@H]3C[C@@H]3C2=O)c(Cl)c1 ZINC000068689182 202236318 /nfs/dbraw/zinc/23/63/18/202236318.db2.gz WZTXJTBEQQRBQF-KNVOCYPGSA-N 0 0 328.155 1.519 10 0 EDAERN Cc1csc([C@H]2CN([C@@H](C)c3nc(N)nc(N(C)C)n3)CCO2)n1 ZINC000171639019 138659290 /nfs/dbraw/zinc/65/92/90/138659290.db2.gz BYUHMTLCPDEYHG-WDEREUQCSA-N 0 0 349.464 1.419 10 0 EDAERN COCCc1noc(CN2CCCC[C@H]2c2nnc3n2CCCC3)n1 ZINC000171640154 138659334 /nfs/dbraw/zinc/65/93/34/138659334.db2.gz ZSGCMJNXOQLQRX-ZDUSSCGKSA-N 0 0 346.435 1.914 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NC[C@H](C)Oc3ccccc3)CCO2)[nH]1 ZINC000175536517 138696963 /nfs/dbraw/zinc/69/69/63/138696963.db2.gz WQFWWSINRXSCBX-SWLSCSKDSA-N 0 0 345.403 1.664 10 0 EDAERN Cc1nc(CN2CCCN(S(=O)(=O)CC3CCCC3)CC2)no1 ZINC000178354137 138740851 /nfs/dbraw/zinc/74/08/51/138740851.db2.gz MQKSPIBKYKZDTL-UHFFFAOYSA-N 0 0 342.465 1.406 10 0 EDAERN CCC[NH2+][C@@](CSc1nnc(N(C)C)s1)(C(=O)[O-])C1CC1 ZINC000069191352 202271327 /nfs/dbraw/zinc/27/13/27/202271327.db2.gz OKYJPTNXNQTHSQ-CYBMUJFWSA-N 0 0 330.479 1.929 10 0 EDAERN CCC[NH2+][C@](CSc1nnc(N(C)C)s1)(C(=O)[O-])C1CC1 ZINC000069191349 202271676 /nfs/dbraw/zinc/27/16/76/202271676.db2.gz OKYJPTNXNQTHSQ-ZDUSSCGKSA-N 0 0 330.479 1.929 10 0 EDAERN Cc1nc(N)sc1S(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000069366767 202275233 /nfs/dbraw/zinc/27/52/33/202275233.db2.gz YPWKZAOPBQPSCJ-SNVBAGLBSA-N 0 0 325.415 1.836 10 0 EDAERN COc1cccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)c1 ZINC000034107572 202272998 /nfs/dbraw/zinc/27/29/98/202272998.db2.gz CTZVMQBGGZGAEC-ZROIWOOFSA-N 0 0 336.376 1.769 10 0 EDAERN CCN(CC1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000069264540 202273541 /nfs/dbraw/zinc/27/35/41/202273541.db2.gz AWXQJMCRQMGYKD-UHFFFAOYSA-N 0 0 332.447 1.093 10 0 EDAERN COCC(=O)N1C[C@H](C(=O)NC2CC2)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034715217 202276195 /nfs/dbraw/zinc/27/61/95/202276195.db2.gz HLPLNRBNZSHAEA-HUUCEWRRSA-N 0 0 348.418 1.991 10 0 EDAERN NC(=O)[C@H]1CCCN(CC(=O)c2ccc(Br)s2)C1 ZINC000035036801 202285197 /nfs/dbraw/zinc/28/51/97/202285197.db2.gz RRVJLRZCVAMICZ-QMMMGPOBSA-N 0 0 331.235 1.891 10 0 EDAERN CC(C)C[C@H](NC(=O)c1cccnc1N(C)C)C(=O)N1CCOCC1 ZINC000036218034 202319082 /nfs/dbraw/zinc/31/90/82/202319082.db2.gz USUGXAVRRIJTAD-HNNXBMFYSA-N 0 0 348.447 1.151 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)nc2)no1 ZINC000036194320 202319359 /nfs/dbraw/zinc/31/93/59/202319359.db2.gz FMUPOZDCRZTECJ-QMMMGPOBSA-N 0 0 344.780 1.337 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)NCC[C@H]1CCCO1 ZINC000070431611 202334186 /nfs/dbraw/zinc/33/41/86/202334186.db2.gz BCUUTGHELQTUKK-GFCCVEGCSA-N 0 0 328.459 1.477 10 0 EDAERN NS(=O)(=O)c1ccc(NCc2csnn2)c(Br)c1 ZINC000037138057 202337047 /nfs/dbraw/zinc/33/70/47/202337047.db2.gz FOHWYWXPZMCLRD-UHFFFAOYSA-N 0 0 349.235 1.560 10 0 EDAERN NC(=S)c1cccnc1-n1cc(I)cn1 ZINC000070677640 202338141 /nfs/dbraw/zinc/33/81/41/202338141.db2.gz MDCFUYKNCZYCOS-UHFFFAOYSA-N 0 0 330.154 1.506 10 0 EDAERN O=C1NCCCC[C@H]1NCc1ccc(I)o1 ZINC000037282702 202339576 /nfs/dbraw/zinc/33/95/76/202339576.db2.gz IBUJHELDZODSQS-SECBINFHSA-N 0 0 334.157 1.643 10 0 EDAERN COC(=O)CCN(CC(C)C)S(=O)(=O)c1cnccc1Cl ZINC000071204312 202340432 /nfs/dbraw/zinc/34/04/32/202340432.db2.gz WLZAQXVMDDECFD-UHFFFAOYSA-N 0 0 334.825 1.945 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccc(F)c(C(N)=S)c1)[C@@H]1CCCO1 ZINC000071246338 202342094 /nfs/dbraw/zinc/34/20/94/202342094.db2.gz RSVKWXAQEWINHG-UFBFGSQYSA-N 0 0 332.422 1.306 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(C(N)=S)c1)[C@@H]1CCCO1 ZINC000071246346 202342968 /nfs/dbraw/zinc/34/29/68/202342968.db2.gz RSVKWXAQEWINHG-PELKAZGASA-N 0 0 332.422 1.306 10 0 EDAERN Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](O)C1CC1 ZINC000071299119 202343768 /nfs/dbraw/zinc/34/37/68/202343768.db2.gz UAOFLCBNEYVLHA-JTQLQIEISA-N 0 0 325.217 1.625 10 0 EDAERN CCN(Cc1ccc(Br)s1)C(=O)[C@H](N)CC(N)=O ZINC000037800550 202366810 /nfs/dbraw/zinc/36/68/10/202366810.db2.gz HORZXZDKYQYXMY-MRVPVSSYSA-N 0 0 334.239 1.062 10 0 EDAERN CS(=O)(=O)CCNCC(=O)Nc1ccc(Br)cc1 ZINC000037750639 202359051 /nfs/dbraw/zinc/35/90/51/202359051.db2.gz UTQCPMAZNCJRAK-UHFFFAOYSA-N 0 0 335.223 1.022 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N1CCSCC1 ZINC000037929240 202378110 /nfs/dbraw/zinc/37/81/10/202378110.db2.gz YRTOZVURVSIVLR-UHFFFAOYSA-N 0 0 337.264 1.769 10 0 EDAERN CCN(CC)C(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1 ZINC000037985940 202384443 /nfs/dbraw/zinc/38/44/43/202384443.db2.gz RWVSLYPJIFMDQD-UHFFFAOYSA-N 0 0 325.843 1.285 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)c2ccc(Cl)nc2)c(=O)n(C)c1 ZINC000038492065 202402305 /nfs/dbraw/zinc/40/23/05/202402305.db2.gz VNCLXDXCUQRXGQ-UHFFFAOYSA-N 0 0 334.763 1.388 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000040634883 202456336 /nfs/dbraw/zinc/45/63/36/202456336.db2.gz VYJFNOHPDQRSJL-BETUJISGSA-N 0 0 330.384 1.699 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)N(C)C2CCC(C)CC2)n1 ZINC000185079158 138800814 /nfs/dbraw/zinc/80/08/14/138800814.db2.gz KEOADPOZSAZOQV-PESDSKBTSA-N 0 0 336.436 1.788 10 0 EDAERN Cc1cccc(-n2nc(C(=O)N3CCN(C=O)CC3)cc2C2CC2)c1 ZINC000041453371 202481685 /nfs/dbraw/zinc/48/16/85/202481685.db2.gz WHHYWKYNRKJLAK-UHFFFAOYSA-N 0 0 338.411 1.972 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)Nc3ccc(C(N)=O)cc3)CCO2)cn1 ZINC000190267508 238346878 /nfs/dbraw/zinc/34/68/78/238346878.db2.gz JTZKTSKUISNWGL-OAHLLOKOSA-N 0 0 343.387 1.607 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCc3ccccn3)CCO2)cn1 ZINC000190310604 238379024 /nfs/dbraw/zinc/37/90/24/238379024.db2.gz SNYHJLKNJDGLPD-MRXNPFEDSA-N 0 0 329.404 1.624 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1sc(=S)[nH]c1C)CC2 ZINC000114862036 201071350 /nfs/dbraw/zinc/07/13/50/201071350.db2.gz IGAFESFFLUHUCJ-VIFPVBQESA-N 0 0 337.474 1.942 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CC1CCCCC1)CC2 ZINC000114874645 201071658 /nfs/dbraw/zinc/07/16/58/201071658.db2.gz GIDDHCHXUZHIIH-CYBMUJFWSA-N 0 0 326.466 1.655 10 0 EDAERN C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000043288794 201100734 /nfs/dbraw/zinc/10/07/34/201100734.db2.gz PDPGPKYPAIRRFC-LLVKDONJSA-N 0 0 331.463 1.486 10 0 EDAERN CN(C)C[C@@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccccc1 ZINC000136579826 201133295 /nfs/dbraw/zinc/13/32/95/201133295.db2.gz DWZZWZPMYMSXHH-LSDHHAIUSA-N 0 0 339.461 1.166 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc21 ZINC000058969077 201143194 /nfs/dbraw/zinc/14/31/94/201143194.db2.gz DELWFKCDNLYLAX-CABCVRRESA-N 0 0 325.368 1.516 10 0 EDAERN CS(=O)(=O)CCS(=O)(=O)c1ccc(C(F)(F)F)cc1N ZINC000149808941 201389531 /nfs/dbraw/zinc/38/95/31/201389531.db2.gz QUDPLVUZZCQHAJ-UHFFFAOYSA-N 0 0 331.337 1.106 10 0 EDAERN Cc1c(Cl)cc(C(=O)N(C)[C@@H]2CCOC2)cc1S(N)(=O)=O ZINC000161873196 201392884 /nfs/dbraw/zinc/39/28/84/201392884.db2.gz AUMZGNUARKIRMC-SNVBAGLBSA-N 0 0 332.809 1.157 10 0 EDAERN C[C@@H](C(N)=S)N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000045146876 202545097 /nfs/dbraw/zinc/54/50/97/202545097.db2.gz VRYAXRMXFFJZPB-ZETCQYMHSA-N 0 0 337.264 1.744 10 0 EDAERN CCNC(=O)[C@@H]1COCCN1c1cc(Br)ccc1C=O ZINC000160002967 201410124 /nfs/dbraw/zinc/41/01/24/201410124.db2.gz NBYIFHZRMLQDER-ZDUSSCGKSA-N 0 0 341.205 1.603 10 0 EDAERN O=C(NCCc1nn2cnnc2s1)c1ccc(F)c(F)c1F ZINC000049722285 202626939 /nfs/dbraw/zinc/62/69/39/202626939.db2.gz NLZHXWPRIIBKFQ-UHFFFAOYSA-N 0 0 327.291 1.576 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)Cc2csc(NC)n2)CC1 ZINC000049664198 202627293 /nfs/dbraw/zinc/62/72/93/202627293.db2.gz WZLLPPKQAQYLCY-UHFFFAOYSA-N 0 0 326.422 1.464 10 0 EDAERN Cc1cc(C(=O)N2CCN(C[C@H](O)COC(C)(C)C)CC2)c(C)o1 ZINC000052241598 202644398 /nfs/dbraw/zinc/64/43/98/202644398.db2.gz HTAMZGUPBMPBRD-HNNXBMFYSA-N 0 0 338.448 1.830 10 0 EDAERN C[C@H](CC[S@](C)=O)NC(=O)c1sc(N2CCCC2)nc1N ZINC000163721644 201418057 /nfs/dbraw/zinc/41/80/57/201418057.db2.gz WLYBUIRHPOPWFB-AOUSDQRYSA-N 0 0 330.479 1.212 10 0 EDAERN CCCN(C)c1nc(N)c(C(=O)NCC[C@@H](C)[S@](C)=O)s1 ZINC000163493614 201418441 /nfs/dbraw/zinc/41/84/41/201418441.db2.gz OVCZHOAAGZJYOX-AOUSDQRYSA-N 0 0 332.495 1.458 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189463942 138874436 /nfs/dbraw/zinc/87/44/36/138874436.db2.gz RQSPMGBKCTXTAX-UHFFFAOYSA-N 0 0 344.411 1.324 10 0 EDAERN Cn1ccn(CCOc2ccc(Br)cc2)c(=O)c1=O ZINC000061797250 202791371 /nfs/dbraw/zinc/79/13/71/202791371.db2.gz PZGGMSWRAYQZHU-UHFFFAOYSA-N 0 0 325.162 1.389 10 0 EDAERN C[C@@H]1CN(C(=O)c2cnn3ccncc23)CCN1CC(F)(F)F ZINC000189915786 138882613 /nfs/dbraw/zinc/88/26/13/138882613.db2.gz MFOMWJKEGZNIHT-SNVBAGLBSA-N 0 0 327.310 1.438 10 0 EDAERN CCCNC(=O)CN1C(=O)N[C@]2(CCCc3cc(OC)ccc32)C1=O ZINC000006398259 201680454 /nfs/dbraw/zinc/68/04/54/201680454.db2.gz NRIKYHVVDZLMGN-SFHVURJKSA-N 0 0 345.399 1.305 10 0 EDAERN C[C@@H]1COCCN1C(=O)CCS(=O)(=O)c1ccccc1Cl ZINC000062509730 202799030 /nfs/dbraw/zinc/79/90/30/202799030.db2.gz NNJNPOXFLOLNBM-LLVKDONJSA-N 0 0 331.821 1.751 10 0 EDAERN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)[C@@H]1CCC(=O)N1c1ccccc1 ZINC000062522932 202799666 /nfs/dbraw/zinc/79/96/66/202799666.db2.gz VDULPEXOGVHDBF-GJZGRUSLSA-N 0 0 343.383 1.281 10 0 EDAERN NS(=O)(=O)CCOCCOc1ccc(Br)cc1F ZINC000070048892 203072333 /nfs/dbraw/zinc/07/23/33/203072333.db2.gz UGHXMKLQUWHYCT-UHFFFAOYSA-N 0 0 342.186 1.272 10 0 EDAERN CS(=O)(=O)Cc1[nH]nc(N)c1-c1ccccc1Br ZINC000070129849 203072453 /nfs/dbraw/zinc/07/24/53/203072453.db2.gz GGQJLERXGJJEAC-UHFFFAOYSA-N 0 0 330.207 1.966 10 0 EDAERN Cc1cc(C(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)no1 ZINC000070854282 203082372 /nfs/dbraw/zinc/08/23/72/203082372.db2.gz VXJRDKUZINVGHX-UHFFFAOYSA-N 0 0 342.330 1.776 10 0 EDAERN O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)[C@H]1CCCO1 ZINC000070852848 203082480 /nfs/dbraw/zinc/08/24/80/203082480.db2.gz MPUVZUJYSYCLCW-OAHLLOKOSA-N 0 0 331.347 1.345 10 0 EDAERN O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1ccccn1 ZINC000070853189 203082776 /nfs/dbraw/zinc/08/27/76/203082776.db2.gz PQTSXCNYUOMSKA-UHFFFAOYSA-N 0 0 338.342 1.874 10 0 EDAERN CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC[C@H](CO)C2)CC1 ZINC000253571304 244027091 /nfs/dbraw/zinc/02/70/91/244027091.db2.gz OUAXJJNLDQNQSE-ZDUSSCGKSA-N 0 0 327.425 1.363 10 0 EDAERN COc1nc(Cl)nc(-n2cc(I)cn2)n1 ZINC000070678174 203079622 /nfs/dbraw/zinc/07/96/22/203079622.db2.gz SBTDMFJGJCEWOD-UHFFFAOYSA-N 0 0 337.508 1.324 10 0 EDAERN Cc1nc2cc(C)ccn2c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000071458880 203096302 /nfs/dbraw/zinc/09/63/02/203096302.db2.gz GGNYJJCGTDBGPU-UHFFFAOYSA-N 0 0 344.396 1.851 10 0 EDAERN CCOC(=O)N1CCC(NC(=O)c2ccnc(NC(C)=O)c2)CC1 ZINC000071566034 203099406 /nfs/dbraw/zinc/09/94/06/203099406.db2.gz HIAFDOYVJXANAD-UHFFFAOYSA-N 0 0 334.376 1.391 10 0 EDAERN CCc1ccc(OCC(=O)N(CCC(=O)OC)[C@@H](CC)CO)cc1 ZINC000071633993 203101021 /nfs/dbraw/zinc/10/10/21/203101021.db2.gz ABYGZTIETOFBRX-HNNXBMFYSA-N 0 0 337.416 1.790 10 0 EDAERN CCOC(=O)CCN(CCCNC(C)=O)C(=O)/C=C/c1ccco1 ZINC000071659156 203102838 /nfs/dbraw/zinc/10/28/38/203102838.db2.gz NMNLVDDKZCTAGW-BQYQJAHWSA-N 0 0 336.388 1.601 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1c[nH]c2cccc(F)c21 ZINC000192024951 138933116 /nfs/dbraw/zinc/93/31/16/138933116.db2.gz USSRZYYPAMFNLS-NSHDSACASA-N 0 0 335.364 1.712 10 0 EDAERN CCN(C(=O)C[C@@H]1COCCN1C(=O)c1nc[nH]n1)C1CCCCC1 ZINC000072456868 203227660 /nfs/dbraw/zinc/22/76/60/203227660.db2.gz CRXFJAAWOZTTMB-CQSZACIVSA-N 0 0 349.435 1.217 10 0 EDAERN Cc1nc(N2CCN(C)CC2)ncc1C(=O)Nc1cccc(F)c1 ZINC000072464942 203228954 /nfs/dbraw/zinc/22/89/54/203228954.db2.gz GRNIWIQEOWJPJD-UHFFFAOYSA-N 0 0 329.379 1.928 10 0 EDAERN Cc1cc(N2CCC[C@H](Nc3ncnc4onc(C)c43)C2=O)n(C)n1 ZINC000192471957 138944771 /nfs/dbraw/zinc/94/47/71/138944771.db2.gz KOXSQYWPQYUSNI-NSHDSACASA-N 0 0 341.375 1.576 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3cccc(O)c3)C2=O)n(C)n1 ZINC000075412573 203313532 /nfs/dbraw/zinc/31/35/32/203313532.db2.gz NYGRKHLIVVQXFQ-HNNXBMFYSA-N 0 0 342.399 1.288 10 0 EDAERN COc1cccc(NC(=O)Cn2cc(Br)c(N)n2)c1 ZINC000040516045 203297472 /nfs/dbraw/zinc/29/74/72/203297472.db2.gz ZENWYVYWPHQDGC-UHFFFAOYSA-N 0 0 325.166 1.875 10 0 EDAERN Cn1cccc1C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000075876634 203325492 /nfs/dbraw/zinc/32/54/92/203325492.db2.gz JDDYNRMMSHLKDZ-NSHDSACASA-N 0 0 327.340 1.289 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000076099934 203338710 /nfs/dbraw/zinc/33/87/10/203338710.db2.gz LJWPIBZRTRYZOU-ZANVPECISA-N 0 0 326.360 1.138 10 0 EDAERN C[C@@H](CNC(=O)c1cccc(Oc2cnccn2)c1)N1CCOCC1 ZINC000076563795 203358571 /nfs/dbraw/zinc/35/85/71/203358571.db2.gz BEUWNPRBAHRZFB-AWEZNQCLSA-N 0 0 342.399 1.719 10 0 EDAERN Cc1noc(CCC(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000081342058 203476716 /nfs/dbraw/zinc/47/67/16/203476716.db2.gz OONSXZZLMIXYCY-LBPRGKRZSA-N 0 0 338.408 1.826 10 0 EDAERN CCOCCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl ZINC000083663572 203517965 /nfs/dbraw/zinc/51/79/65/203517965.db2.gz PHOCSAMJGZABAN-UHFFFAOYSA-N 0 0 341.216 1.407 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC=C(c2cccc(C)c2)CC1 ZINC000193742103 138977426 /nfs/dbraw/zinc/97/74/26/138977426.db2.gz VGXJPTHRTHRASS-QZTJIDSGSA-N 0 0 328.412 1.592 10 0 EDAERN Cn1cc(C(=O)N2CCCN(c3cccnn3)CC2)c(C(C)(C)C)n1 ZINC000092243465 203669867 /nfs/dbraw/zinc/66/98/67/203669867.db2.gz HXAKLWITRFKRLM-UHFFFAOYSA-N 0 0 342.447 1.860 10 0 EDAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000092773819 203680512 /nfs/dbraw/zinc/68/05/12/203680512.db2.gz PWNFYBQMZDPLDO-UONOGXRCSA-N 0 0 339.461 1.779 10 0 EDAERN CCOc1cc([C@@H]2NC(=O)[C@H]3COCCN32)ccc1OCC(C)C ZINC000093883032 203705832 /nfs/dbraw/zinc/70/58/32/203705832.db2.gz DGIDITPRBLCFRR-RHSMWYFYSA-N 0 0 334.416 1.949 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000103379155 204077103 /nfs/dbraw/zinc/07/71/03/204077103.db2.gz PBPULODHKBSPKJ-JTQLQIEISA-N 0 0 325.796 1.497 10 0 EDAERN C[C@H](C(=O)Nc1nccs1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806825 204162246 /nfs/dbraw/zinc/16/22/46/204162246.db2.gz RKUAKQUNCRODJM-GFCCVEGCSA-N 0 0 346.460 1.861 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)n1 ZINC000105819779 204163810 /nfs/dbraw/zinc/16/38/10/204163810.db2.gz SMNVVANAWUEYPE-UHFFFAOYSA-N 0 0 347.806 1.886 10 0 EDAERN O=C(c1ccnc(F)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105817565 204163908 /nfs/dbraw/zinc/16/39/08/204163908.db2.gz OAFWZWNXOYJHRI-MRXNPFEDSA-N 0 0 329.375 1.712 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC000105831691 204166373 /nfs/dbraw/zinc/16/63/73/204166373.db2.gz NIAXWLDXMJNGPN-SJORKVTESA-N 0 0 333.476 1.686 10 0 EDAERN COCCN1CCN(CC(=O)NCc2cccc(Cl)c2)C[C@@H]1C ZINC000105831946 204167518 /nfs/dbraw/zinc/16/75/18/204167518.db2.gz BUAQJDKLGVBZEL-AWEZNQCLSA-N 0 0 339.867 1.609 10 0 EDAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105853930 204170513 /nfs/dbraw/zinc/17/05/13/204170513.db2.gz DLKBAYSAOWQTIH-CQSZACIVSA-N 0 0 337.383 1.568 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(Cc3cn4cccnc4n3)CC2)n1 ZINC000105864306 204171932 /nfs/dbraw/zinc/17/19/32/204171932.db2.gz ZESWKIANEZMRER-GFCCVEGCSA-N 0 0 327.392 1.300 10 0 EDAERN Cn1cc(CN2CCCN(CC(=O)Nc3cccc(F)c3)CC2)cn1 ZINC000105869109 204173253 /nfs/dbraw/zinc/17/32/53/204173253.db2.gz AYINSCOMBRJHAF-UHFFFAOYSA-N 0 0 345.422 1.706 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000105861976 204173631 /nfs/dbraw/zinc/17/36/31/204173631.db2.gz BKCRCDLJGAVUIV-UHFFFAOYSA-N 0 0 337.424 1.529 10 0 EDAERN CC(=O)c1ccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105888965 204177172 /nfs/dbraw/zinc/17/71/72/204177172.db2.gz WPCMVNWYNCSCFX-QGZVFWFLSA-N 0 0 342.399 1.425 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)c2cccn2C)CC1 ZINC000106143150 204188511 /nfs/dbraw/zinc/18/85/11/204188511.db2.gz VGEDQIYXDOSIJA-UHFFFAOYSA-N 0 0 329.448 1.376 10 0 EDAERN O=S1(=O)CC[C@@H]([C@H](O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000043303718 204241308 /nfs/dbraw/zinc/24/13/08/204241308.db2.gz CBYDJZHITTWDET-HQJQHLMTSA-N 0 0 349.202 1.646 10 0 EDAERN O=C(CNC(=O)Cc1cccc(F)c1)N[C@@H]1COc2ccccc21 ZINC000195010277 139004500 /nfs/dbraw/zinc/00/45/00/139004500.db2.gz YAEIOGJQGKQNGU-OAHLLOKOSA-N 0 0 328.343 1.734 10 0 EDAERN COC(=O)c1ccc(N(C)C[C@@H]2CCCN2c2cccnn2)nn1 ZINC000108946769 204274259 /nfs/dbraw/zinc/27/42/59/204274259.db2.gz LCIAMINFMUMHSF-LBPRGKRZSA-N 0 0 328.376 1.158 10 0 EDAERN CN1CCO[C@H](CNS(=O)(=O)c2ccccc2Br)C1 ZINC000110490649 204313920 /nfs/dbraw/zinc/31/39/20/204313920.db2.gz KIKPHZOARLUTSP-SNVBAGLBSA-N 0 0 349.250 1.058 10 0 EDAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(N)cccc2Cl)C1 ZINC000045166430 204315051 /nfs/dbraw/zinc/31/50/51/204315051.db2.gz WCLVTRPUCOLSOF-JTQLQIEISA-N 0 0 331.825 1.211 10 0 EDAERN CCN[C@@](Cn1cc(Br)cn1)(C(N)=O)c1ccccc1 ZINC000045437272 204323326 /nfs/dbraw/zinc/32/33/26/204323326.db2.gz WAXZQGXXDRBZDB-CQSZACIVSA-N 0 0 337.221 1.636 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2)C1 ZINC000110754392 204323429 /nfs/dbraw/zinc/32/34/29/204323429.db2.gz ZYRKBMAAYVGFPZ-CYBMUJFWSA-N 0 0 327.388 1.643 10 0 EDAERN CC(=O)NCc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000110886149 204325734 /nfs/dbraw/zinc/32/57/34/204325734.db2.gz BZFLTYACHAAQBL-OAHLLOKOSA-N 0 0 345.424 1.993 10 0 EDAERN Nc1ccc(Br)c(C(=O)NCCN2CCOCC2)c1 ZINC000045622689 204328438 /nfs/dbraw/zinc/32/84/38/204328438.db2.gz NQOWUUFBVKVLBY-UHFFFAOYSA-N 0 0 328.210 1.093 10 0 EDAERN CCCNC(=O)CN(C)C(=O)c1cc(N)ccc1Br ZINC000045624398 204328880 /nfs/dbraw/zinc/32/88/80/204328880.db2.gz UQKIWXZSVCXJEX-UHFFFAOYSA-N 0 0 328.210 1.630 10 0 EDAERN C[C@H](CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1)N1CCOCC1 ZINC000110074213 204300663 /nfs/dbraw/zinc/30/06/63/204300663.db2.gz CXRPISHDWBSIDT-CYBMUJFWSA-N 0 0 329.404 1.919 10 0 EDAERN CCOC(=O)CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000049061599 204365864 /nfs/dbraw/zinc/36/58/64/204365864.db2.gz GBMLRTXIMHYFTF-UHFFFAOYSA-N 0 0 326.296 1.592 10 0 EDAERN C[C@@H](NCC(=O)Nc1ccc(Br)cc1)C(=O)N(C)C ZINC000049099148 204368762 /nfs/dbraw/zinc/36/87/62/204368762.db2.gz WFIMCMKJGSWMDX-SECBINFHSA-N 0 0 328.210 1.454 10 0 EDAERN C[C@@H](Cn1ccnc1)NS(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000049234666 204372498 /nfs/dbraw/zinc/37/24/98/204372498.db2.gz JTVKLFGERJYNSE-QMMMGPOBSA-N 0 0 332.788 1.625 10 0 EDAERN C[C@@H]1Cc2ccccc2N1CCNC(=O)N(C)CCn1cccn1 ZINC000111844097 204376045 /nfs/dbraw/zinc/37/60/45/204376045.db2.gz VERWBUBTQYYMJS-OAHLLOKOSA-N 0 0 327.432 1.976 10 0 EDAERN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112652646 204408548 /nfs/dbraw/zinc/40/85/48/204408548.db2.gz WBNKONDXRGYVHQ-GFCCVEGCSA-N 0 0 343.412 1.977 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NOCc3ccccc3)CCO2)c1 ZINC000112105530 204382962 /nfs/dbraw/zinc/38/29/62/204382962.db2.gz MBIFVPJXNWULPO-INIZCTEOSA-N 0 0 330.388 1.734 10 0 EDAERN O=C(Cn1cc(Br)ccc1=O)Nc1ccccc1CO ZINC000049362373 204386691 /nfs/dbraw/zinc/38/66/91/204386691.db2.gz DWMWIUGWPVIOJG-UHFFFAOYSA-N 0 0 337.173 1.742 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCOC2(C1)CCCCCC2 ZINC000119886472 204391208 /nfs/dbraw/zinc/39/12/08/204391208.db2.gz AHHFINJVBRQOLT-CQSZACIVSA-N 0 0 333.436 1.728 10 0 EDAERN CCCCOC[C@@H](O)CN1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000195235346 139010900 /nfs/dbraw/zinc/01/09/00/139010900.db2.gz UYEJSCJGCXSDSY-GJZGRUSLSA-N 0 0 325.405 1.731 10 0 EDAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000195168150 139008518 /nfs/dbraw/zinc/00/85/18/139008518.db2.gz LMFIIBZJAZEPIG-CABCVRRESA-N 0 0 338.429 1.259 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195269905 139011964 /nfs/dbraw/zinc/01/19/64/139011964.db2.gz RVNSGHULPHSTIU-LBPRGKRZSA-N 0 0 344.419 1.066 10 0 EDAERN Cn1ncc2c1nc(N1C[C@@H](c3ccsc3)[C@H](CO)C1)nc2N ZINC000195280960 139012266 /nfs/dbraw/zinc/01/22/66/139012266.db2.gz YUUCBMBRBCMLIH-JQWIXIFHSA-N 0 0 330.417 1.219 10 0 EDAERN CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000195296250 139012920 /nfs/dbraw/zinc/01/29/20/139012920.db2.gz YNHLDDKKBVWZEQ-ZFWWWQNUSA-N 0 0 340.445 1.218 10 0 EDAERN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN2CCC[C@H]2C1 ZINC000195310157 139013507 /nfs/dbraw/zinc/01/35/07/139013507.db2.gz KUFZXHVKBVXQJJ-LBPRGKRZSA-N 0 0 344.383 1.603 10 0 EDAERN O=C(NC1CC1)C(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000114207349 204468108 /nfs/dbraw/zinc/46/81/08/204468108.db2.gz YINYWURQIDPJBG-UHFFFAOYSA-N 0 0 338.411 1.158 10 0 EDAERN O=C(CN1CCO[C@@H](c2nccs2)C1)NCc1ccc(F)cc1 ZINC000195521307 139020024 /nfs/dbraw/zinc/02/00/24/139020024.db2.gz TVSURMYZZQFRAW-CQSZACIVSA-N 0 0 335.404 1.972 10 0 EDAERN CC(=O)N1CCc2cc(S(=O)(=O)NCCn3cc(C)cn3)ccc21 ZINC000117927403 204579966 /nfs/dbraw/zinc/57/99/66/204579966.db2.gz BNZIJAMWASJDTC-UHFFFAOYSA-N 0 0 348.428 1.079 10 0 EDAERN O=C(c1ccnc(-n2cncn2)c1)N1CCC(Cn2cccn2)CC1 ZINC000125975607 205035089 /nfs/dbraw/zinc/03/50/89/205035089.db2.gz MXBQBXPMFATASK-UHFFFAOYSA-N 0 0 337.387 1.411 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126633776 205064713 /nfs/dbraw/zinc/06/47/13/205064713.db2.gz RKKMHOFKQMDOLT-UONOGXRCSA-N 0 0 337.424 1.287 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cn(C)nc3C(C)(C)C)CCO2)[nH]1 ZINC000127511206 205105165 /nfs/dbraw/zinc/10/51/65/205105165.db2.gz QBCLIUOGELZCFQ-GFCCVEGCSA-N 0 0 346.435 1.612 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000128522129 205149689 /nfs/dbraw/zinc/14/96/89/205149689.db2.gz ALCVUSAVLQPZMM-ZDUSSCGKSA-N 0 0 343.449 1.365 10 0 EDAERN C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCO1 ZINC000128697174 205158345 /nfs/dbraw/zinc/15/83/45/205158345.db2.gz VZLSRNHLYAVHPX-MFKMUULPSA-N 0 0 347.383 1.909 10 0 EDAERN Nc1cc(Br)cc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000147624392 205221531 /nfs/dbraw/zinc/22/15/31/205221531.db2.gz FSMLMKMFBDEZDD-NSHDSACASA-N 0 0 326.194 1.430 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000130517508 205243245 /nfs/dbraw/zinc/24/32/45/205243245.db2.gz DFBQWWBHOGOJHY-ZBFHGGJFSA-N 0 0 329.400 1.585 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c(C)n1 ZINC000130879240 205261816 /nfs/dbraw/zinc/26/18/16/205261816.db2.gz IAPLPBMSJZHJAX-ZDUSSCGKSA-N 0 0 332.404 1.034 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@@H]1N1CCOCC1 ZINC000157995906 205280418 /nfs/dbraw/zinc/28/04/18/205280418.db2.gz RTBUJMABKZEVKT-PBHICJAKSA-N 0 0 332.448 1.791 10 0 EDAERN CC(C)N(CCS(C)(=O)=O)C(=O)N[C@H]1COc2ccccc21 ZINC000131721677 205301326 /nfs/dbraw/zinc/30/13/26/205301326.db2.gz AFXVWHQPTDVMQG-ZDUSSCGKSA-N 0 0 326.418 1.585 10 0 EDAERN Cc1cc(Br)cc(C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000131254031 205279739 /nfs/dbraw/zinc/27/97/39/205279739.db2.gz BCGKZZKHEMXNKI-ZDUSSCGKSA-N 0 0 327.222 1.818 10 0 EDAERN CC(C)c1cc(NC(=O)C(=O)N[C@@H](C)C2CC2)n(-c2ncccn2)n1 ZINC000132005579 205310535 /nfs/dbraw/zinc/31/05/35/205310535.db2.gz WEEMRAUEYSCJLM-NSHDSACASA-N 0 0 342.403 1.639 10 0 EDAERN O=C(NCCn1ccnc1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000132268839 205319298 /nfs/dbraw/zinc/31/92/98/205319298.db2.gz XXWLKJCJDKTEEB-SWLSCSKDSA-N 0 0 336.342 1.679 10 0 EDAERN CCCCN(C)S(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111344877 220142076 /nfs/dbraw/zinc/14/20/76/220142076.db2.gz XOKBDOVQOCMODK-HNNXBMFYSA-N 0 0 344.481 1.177 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)CCC(C)C)CC2)n1 ZINC000111344426 220142355 /nfs/dbraw/zinc/14/23/55/220142355.db2.gz WAJIGQVXRSLWFB-GFCCVEGCSA-N 0 0 330.454 1.433 10 0 EDAERN CSCCCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000132707617 205338288 /nfs/dbraw/zinc/33/82/88/205338288.db2.gz LVNHFSDSTPNUGV-UHFFFAOYSA-N 0 0 339.509 1.617 10 0 EDAERN O=C(c1cc2ccccc2oc1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172755140 296195931 /nfs/dbraw/zinc/19/59/31/296195931.db2.gz HTJULJQXRZYEKH-CQSZACIVSA-N 0 0 328.368 1.340 10 0 EDAERN CCCNC(=O)CCCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000136353117 205500227 /nfs/dbraw/zinc/50/02/27/205500227.db2.gz KZNJENUHNUECJV-HNNXBMFYSA-N 0 0 347.463 1.600 10 0 EDAERN C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1N ZINC000157909885 205552633 /nfs/dbraw/zinc/55/26/33/205552633.db2.gz GRUHOLMQGDQDEU-KWQFWETISA-N 0 0 349.250 1.829 10 0 EDAERN CCOc1cc(CO)cc(Br)c1OCCC(=O)NC ZINC000051760665 205564893 /nfs/dbraw/zinc/56/48/93/205564893.db2.gz HSDMLQKYEZSHSJ-UHFFFAOYSA-N 0 0 332.194 1.855 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000245201362 139071139 /nfs/dbraw/zinc/07/11/39/139071139.db2.gz QBPZGMCFSOEPFS-ZIAGYGMSSA-N 0 0 340.468 1.237 10 0 EDAERN CCC1(CC)[C@H](NC(=O)NC[C@H](C)N2CCOCC2)[C@@H](C)[C@@H]1OC ZINC000245597444 139080407 /nfs/dbraw/zinc/08/04/07/139080407.db2.gz IWYBTIZGNOGCFW-JJXSEGSLSA-N 0 0 341.496 1.846 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCOCCC(C)C)CCO2)c1 ZINC000112109733 220245501 /nfs/dbraw/zinc/24/55/01/220245501.db2.gz FZGQKLOJPGHUSM-INIZCTEOSA-N 0 0 338.452 1.665 10 0 EDAERN CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000245678776 139082837 /nfs/dbraw/zinc/08/28/37/139082837.db2.gz JNJDGUCCQCCQQM-CJNGLKHVSA-N 0 0 338.473 1.939 10 0 EDAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(C(N)=S)cc2)CCS1 ZINC000137169399 223683892 /nfs/dbraw/zinc/68/38/92/223683892.db2.gz PSXPDPCRTZMAAY-JTQLQIEISA-N 0 0 330.500 1.588 10 0 EDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000155202037 205993579 /nfs/dbraw/zinc/99/35/79/205993579.db2.gz SQUYSHIJMSHVJE-NHYWBVRUSA-N 0 0 343.358 1.499 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000155303349 206001449 /nfs/dbraw/zinc/00/14/49/206001449.db2.gz CBKTVFFHHXUXBW-AWEZNQCLSA-N 0 0 327.469 1.452 10 0 EDAERN O=C(CCc1nc(-c2ccccn2)no1)NC[C@@H]1CCCC[C@H]1O ZINC000155793464 206035091 /nfs/dbraw/zinc/03/50/91/206035091.db2.gz BWXBSDVUIAISBZ-GXTWGEPZSA-N 0 0 330.388 1.732 10 0 EDAERN Cc1[nH]c(=O)ccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000155853083 206039528 /nfs/dbraw/zinc/03/95/28/206039528.db2.gz SSHZNXDBPDEKHW-JTQLQIEISA-N 0 0 334.397 1.990 10 0 EDAERN Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000155853206 206041184 /nfs/dbraw/zinc/04/11/84/206041184.db2.gz SSHZNXDBPDEKHW-SNVBAGLBSA-N 0 0 334.397 1.990 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccc2c1OCCCO2 ZINC000155957526 206045984 /nfs/dbraw/zinc/04/59/84/206045984.db2.gz AWKYCCDBXMSGSE-GFCCVEGCSA-N 0 0 344.367 1.876 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000156154019 206058401 /nfs/dbraw/zinc/05/84/01/206058401.db2.gz IWWGDJGEQBAUQU-LBPRGKRZSA-N 0 0 334.420 1.793 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000156389973 206075615 /nfs/dbraw/zinc/07/56/15/206075615.db2.gz MFQAWSGRYHYBPU-DYVFJYSZSA-N 0 0 348.443 1.928 10 0 EDAERN CNS(=O)(=O)c1ccc(Sc2nnc(SC)s2)c(N)c1 ZINC000161699521 206091416 /nfs/dbraw/zinc/09/14/16/206091416.db2.gz NCAHAGYOHIRDKS-UHFFFAOYSA-N 0 0 348.500 1.902 10 0 EDAERN CCCn1c(C)nnc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000156989287 206112080 /nfs/dbraw/zinc/11/20/80/206112080.db2.gz DSPGAZSVTWZPJX-SFHVURJKSA-N 0 0 343.475 1.848 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000158477315 206193019 /nfs/dbraw/zinc/19/30/19/206193019.db2.gz WFNQXUNFGWSIKC-GWCFXTLKSA-N 0 0 342.342 1.894 10 0 EDAERN CCCc1nc(CC[NH+](C)C)[n-]c(=O)c1I ZINC000158691654 206205604 /nfs/dbraw/zinc/20/56/04/206205604.db2.gz POSZIFJLISTWMR-UHFFFAOYSA-N 0 0 335.189 1.431 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000158566883 206198682 /nfs/dbraw/zinc/19/86/82/206198682.db2.gz RNGGPMPEDVQVQL-TZMCWYRMSA-N 0 0 344.371 1.342 10 0 EDAERN CCN(CC)C(=O)[C@@H](C)Nc1ncc(I)cn1 ZINC000159156778 206228233 /nfs/dbraw/zinc/22/82/33/206228233.db2.gz PXJDVNQHQNRTQO-MRVPVSSYSA-N 0 0 348.188 1.750 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000158930630 206216914 /nfs/dbraw/zinc/21/69/14/206216914.db2.gz VUXPAACOCSIWSA-GFCCVEGCSA-N 0 0 332.491 1.858 10 0 EDAERN C[C@@H]([C@H](Cc1cc(F)cc(Br)c1)NN)S(C)(=O)=O ZINC000159763922 206262988 /nfs/dbraw/zinc/26/29/88/206262988.db2.gz RBOMJUJRALRYCH-CPCISQLKSA-N 0 0 339.230 1.396 10 0 EDAERN C[C@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246802288 139122194 /nfs/dbraw/zinc/12/21/94/139122194.db2.gz BFIUTWYQVMHVBI-DOTOQJQBSA-N 0 0 329.444 1.371 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1[C@@H]3CCO[C@H]3C1(C)C)CC2 ZINC000246962612 139128728 /nfs/dbraw/zinc/12/87/28/139128728.db2.gz OKTOJEVDIBWKHH-BAESOJJISA-N 0 0 333.436 1.268 10 0 EDAERN COc1ccc(CN(C)C(=O)CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246987568 139129767 /nfs/dbraw/zinc/12/97/67/139129767.db2.gz AUKDKJIKDLQKLP-HOTGVXAUSA-N 0 0 349.475 1.041 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)N[C@H](C)CCCC(C)C)CCO2)[nH]1 ZINC000247029566 139132301 /nfs/dbraw/zinc/13/23/01/139132301.db2.gz PSGMDNOWSABZTJ-HIFRSBDPSA-N 0 0 337.468 1.817 10 0 EDAERN CCN(CC)C(=O)c1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NC ZINC000121174253 284568111 /nfs/dbraw/zinc/56/81/11/284568111.db2.gz DEPQHNXYAPNQFY-OAHLLOKOSA-N 0 0 346.431 1.911 10 0 EDAERN O=C(CCNC(=O)c1c(F)cccc1Br)NC1CC1 ZINC000160988265 206322717 /nfs/dbraw/zinc/32/27/17/206322717.db2.gz QAXRLAXENXITQY-UHFFFAOYSA-N 0 0 329.169 1.987 10 0 EDAERN COc1cc(Br)c(N)cc1S(=O)(=O)NC1CCC1 ZINC000161197801 206335103 /nfs/dbraw/zinc/33/51/03/206335103.db2.gz LGVVGYKDRLXELY-UHFFFAOYSA-N 0 0 335.223 1.871 10 0 EDAERN COc1cc(C)c(S(=O)(=O)NCCCc2cnn(C)c2)cc1C ZINC000102661874 206386019 /nfs/dbraw/zinc/38/60/19/206386019.db2.gz JMWFQBOHGZIOFF-UHFFFAOYSA-N 0 0 337.445 1.957 10 0 EDAERN COC[C@@H](C)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000103386368 206401677 /nfs/dbraw/zinc/40/16/77/206401677.db2.gz ZXIVWNPVRKEMHH-CZUORRHYSA-N 0 0 334.416 1.494 10 0 EDAERN Cc1nn(C)c(Cn2ncc(N(C)C)cc2=O)c1Br ZINC000165313682 206513483 /nfs/dbraw/zinc/51/34/83/206513483.db2.gz VAACNQYWQKNVAO-UHFFFAOYSA-N 0 0 326.198 1.162 10 0 EDAERN C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000247248794 139142338 /nfs/dbraw/zinc/14/23/38/139142338.db2.gz YOJKHBNHOSSPHV-SJLPKXTDSA-N 0 0 343.471 1.761 10 0 EDAERN CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCOC[C@H]2C(N)=O)cc1 ZINC000247260538 139142848 /nfs/dbraw/zinc/14/28/48/139142848.db2.gz XPNAOMVCQPUCHB-YOEHRIQHSA-N 0 0 347.459 1.248 10 0 EDAERN CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC000170489232 206577267 /nfs/dbraw/zinc/57/72/67/206577267.db2.gz BRFQRCDHAAYZMH-DGCLKSJQSA-N 0 0 332.356 1.016 10 0 EDAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)N3CCC[C@@H](C)C3)C2)c1 ZINC000247653599 139153417 /nfs/dbraw/zinc/15/34/17/139153417.db2.gz XJGRCQAPFOCWTJ-UKRRQHHQSA-N 0 0 326.466 1.805 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)C(C)C)[C@H](C)O)cc1 ZINC000249070997 139184565 /nfs/dbraw/zinc/18/45/65/139184565.db2.gz LADFUEVIUUVWHB-IPYPFGDCSA-N 0 0 342.461 1.183 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000253272424 139205748 /nfs/dbraw/zinc/20/57/48/139205748.db2.gz BBFITQUNJBELID-MELADBBJSA-N 0 0 332.466 1.122 10 0 EDAERN C[C@H](O)c1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000171905803 206764199 /nfs/dbraw/zinc/76/41/99/206764199.db2.gz LSHMQZICTQRFEC-YOEHRIQHSA-N 0 0 344.415 1.547 10 0 EDAERN CC(C)C(=O)NCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171986511 206775641 /nfs/dbraw/zinc/77/56/41/206775641.db2.gz LKVRKRRPBAJLPA-DOTOQJQBSA-N 0 0 345.443 1.485 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)NCCCN3CCOC3=O)C2)c1 ZINC000171907053 206765254 /nfs/dbraw/zinc/76/52/54/206765254.db2.gz WHFNLDTYQNBZFG-AWEZNQCLSA-N 0 0 335.408 1.380 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCCCCC3)C2=O)n(C)n1 ZINC000173570003 206939437 /nfs/dbraw/zinc/93/94/37/206939437.db2.gz WBPWMZBOYULQKX-CQSZACIVSA-N 0 0 333.436 1.810 10 0 EDAERN CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174767562 207055557 /nfs/dbraw/zinc/05/55/57/207055557.db2.gz LYBBTZDLFFCBKX-GFCCVEGCSA-N 0 0 349.416 1.551 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)[C@H](O)c3ccccc3)CC2)s1 ZINC000174774131 207055603 /nfs/dbraw/zinc/05/56/03/207055603.db2.gz STUHOROGSLGXLU-MRXNPFEDSA-N 0 0 331.441 1.829 10 0 EDAERN Cc1ccc([C@@H](O)CN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000174781471 207058270 /nfs/dbraw/zinc/05/82/70/207058270.db2.gz WDNRVGQHCLCKTA-INIZCTEOSA-N 0 0 338.415 1.288 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(F)c(F)c3)C2=O)n(C)n1 ZINC000174974425 207079007 /nfs/dbraw/zinc/07/90/07/207079007.db2.gz PJZPHOHNNUTTMH-CQSZACIVSA-N 0 0 348.353 1.932 10 0 EDAERN COCCS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000175222004 207106123 /nfs/dbraw/zinc/10/61/23/207106123.db2.gz OLIIJHMRSCEBCT-STQMWFEESA-N 0 0 348.490 1.076 10 0 EDAERN C[C@@H](CC(=O)N[C@@H]1CCCn2ncnc21)NC(=O)c1ccccc1 ZINC000175710518 207152668 /nfs/dbraw/zinc/15/26/68/207152668.db2.gz ARBLSEJSVZPUTA-GXTWGEPZSA-N 0 0 327.388 1.438 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c(F)cc1F ZINC000175797549 207159239 /nfs/dbraw/zinc/15/92/39/207159239.db2.gz FGEDTZUBTYJAFP-VIFPVBQESA-N 0 0 328.344 1.158 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175872130 207168465 /nfs/dbraw/zinc/16/84/65/207168465.db2.gz FTDVJUXLCNJXTR-OAHLLOKOSA-N 0 0 343.435 1.740 10 0 EDAERN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176105521 207190389 /nfs/dbraw/zinc/19/03/89/207190389.db2.gz UYRFVTGVJOLXDF-NSHDSACASA-N 0 0 337.742 1.660 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c(C)c1 ZINC000176106372 207190680 /nfs/dbraw/zinc/19/06/80/207190680.db2.gz WVCBLZAJQCXZBT-CYBMUJFWSA-N 0 0 329.360 1.185 10 0 EDAERN C[NH+](C)C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCO1 ZINC000176298255 207212444 /nfs/dbraw/zinc/21/24/44/207212444.db2.gz GIYSKZMDGCRXFJ-AWEZNQCLSA-N 0 0 348.378 1.120 10 0 EDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc2cnccc21 ZINC000176750100 207257219 /nfs/dbraw/zinc/25/72/19/207257219.db2.gz AZQVFKPNVZLJQN-CYBMUJFWSA-N 0 0 329.385 1.640 10 0 EDAERN COc1ccc(CN(C)C(=O)N[C@H]2CCCn3ncnc32)c(OC)c1 ZINC000177309911 207318950 /nfs/dbraw/zinc/31/89/50/207318950.db2.gz IWSPAAXBGIMFKZ-AWEZNQCLSA-N 0 0 345.403 1.972 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1ccc2c(c1)OCCO2 ZINC000177323059 207319719 /nfs/dbraw/zinc/31/97/19/207319719.db2.gz GOVBGLKMZMRTEP-DGCLKSJQSA-N 0 0 343.387 1.945 10 0 EDAERN O=C(CNC(=O)N[C@@H]1CCCn2ncnc21)OCc1ccccc1 ZINC000177337699 207323168 /nfs/dbraw/zinc/32/31/68/207323168.db2.gz VYAIWUFHQLNAMS-CYBMUJFWSA-N 0 0 329.360 1.156 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(O)cc3)C2=O)n(C)n1 ZINC000177353067 207325229 /nfs/dbraw/zinc/32/52/29/207325229.db2.gz HJVWDKSIKTZHIW-HNNXBMFYSA-N 0 0 342.399 1.288 10 0 EDAERN Cc1cc([C@](C)(O)CNC(=O)N[C@@H]2CCCn3ncnc32)c(C)o1 ZINC000177377491 207327375 /nfs/dbraw/zinc/32/73/75/207327375.db2.gz ZVDFLPLIXAODIM-CZUORRHYSA-N 0 0 333.392 1.530 10 0 EDAERN O=C(CSC[C@@H](O)CO)N[C@H](c1nccs1)c1ccccc1 ZINC000177437042 207337089 /nfs/dbraw/zinc/33/70/89/207337089.db2.gz OHTZNBGLIUZHQH-JSGCOSHPSA-N 0 0 338.454 1.435 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000177624894 207365118 /nfs/dbraw/zinc/36/51/18/207365118.db2.gz KTAZZZSIMLLHNE-SNVBAGLBSA-N 0 0 349.778 1.010 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1COc2ccccc2C1 ZINC000177699098 207380294 /nfs/dbraw/zinc/38/02/94/207380294.db2.gz BGHHZJQYZGAWAZ-UONOGXRCSA-N 0 0 342.399 1.627 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000177722817 207383982 /nfs/dbraw/zinc/38/39/82/207383982.db2.gz KRABWOWIKUMRMH-HIFRSBDPSA-N 0 0 343.362 1.870 10 0 EDAERN CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177749016 207390583 /nfs/dbraw/zinc/39/05/83/207390583.db2.gz OWAFLBFJBMRZAL-OAHLLOKOSA-N 0 0 347.440 1.982 10 0 EDAERN Cc1cc(C(=O)CN2CCOC[C@H]2C(N)=O)c(C)n1Cc1ccco1 ZINC000179732687 207681079 /nfs/dbraw/zinc/68/10/79/207681079.db2.gz DYWCRSLGOAHLRU-INIZCTEOSA-N 0 0 345.399 1.115 10 0 EDAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000180878284 207848523 /nfs/dbraw/zinc/84/85/23/207848523.db2.gz KVOJHSOGBSBPHL-ZJUUUORDSA-N 0 0 347.341 1.560 10 0 EDAERN CN1CC[NH2+]C[C@@H]1c1noc(CN2C(=O)CCc3ccccc32)n1 ZINC000263255301 139331361 /nfs/dbraw/zinc/33/13/61/139331361.db2.gz QKNMPXKMWJZLMP-CQSZACIVSA-N 0 0 327.388 1.125 10 0 EDAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)C1 ZINC000097015720 218915427 /nfs/dbraw/zinc/91/54/27/218915427.db2.gz DAJVZWDGCONGEX-ZFWWWQNUSA-N 0 0 325.434 1.511 10 0 EDAERN O=C([C@H]1CC(F)(F)CN1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000263317980 139335535 /nfs/dbraw/zinc/33/55/35/139335535.db2.gz ZUAKHYBDNUCVQP-HUUCEWRRSA-N 0 0 349.381 1.958 10 0 EDAERN C[C@H](CC1CC1)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000112752062 220398369 /nfs/dbraw/zinc/39/83/69/220398369.db2.gz XAGXDUZCCHNUTF-OAHLLOKOSA-N 0 0 336.480 1.515 10 0 EDAERN COCCN1CCN(C(=O)NCCc2sc(C)nc2C)C[C@@H]1C ZINC000117494555 221071620 /nfs/dbraw/zinc/07/16/20/221071620.db2.gz YJLLNANHLWACFP-LBPRGKRZSA-N 0 0 340.493 1.665 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000117521734 221073101 /nfs/dbraw/zinc/07/31/01/221073101.db2.gz KCOPCCBGJVBVJK-OAHLLOKOSA-N 0 0 347.459 1.811 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2cccc(Br)c2)c1 ZINC000117927444 221101236 /nfs/dbraw/zinc/10/12/36/221101236.db2.gz ZJWAPUNAIKVTHH-UHFFFAOYSA-N 0 0 344.234 1.933 10 0 EDAERN COc1c(CNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(C)nn1C ZINC000119696798 221380145 /nfs/dbraw/zinc/38/01/45/221380145.db2.gz UTDLSKHLXZOMSL-VNQPRFMTSA-N 0 0 326.400 1.875 10 0 EDAERN Cc1noc(C[C@@]23COC[C@@H]2CN(S(=O)(=O)c2ccccc2)C3)n1 ZINC000247944951 257673118 /nfs/dbraw/zinc/67/31/18/257673118.db2.gz HTGICKUWQJASAI-XJKSGUPXSA-N 0 0 349.412 1.258 10 0 EDAERN CS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000155246412 533467607 /nfs/dbraw/zinc/46/76/07/533467607.db2.gz OVRUAYQBGMNOHW-LLVKDONJSA-N 0 0 339.442 1.653 10 0 EDAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000164778231 533543315 /nfs/dbraw/zinc/54/33/15/533543315.db2.gz GQLGVTPJNLDTNI-DOMZBBRYSA-N 0 0 349.460 1.714 10 0 EDAERN C[C@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)n1cc(F)ccc1=O ZINC000071516386 132814372 /nfs/dbraw/zinc/81/43/72/132814372.db2.gz KGJVVNRHIQYWHC-SNVBAGLBSA-N 0 0 330.315 1.787 10 0 EDAERN CCC(=O)Nc1ccc2c(c1)N(CC(=O)N(CC)CC)C(=O)CO2 ZINC000012295833 135693848 /nfs/dbraw/zinc/69/38/48/135693848.db2.gz WZBXBYBGLDZJPN-UHFFFAOYSA-N 0 0 333.388 1.629 10 0 EDAERN COc1ccc2c(c1)OCCN(C(=O)c1cn([C@@H]3CCOC3)nn1)C2 ZINC000328723424 140672589 /nfs/dbraw/zinc/67/25/89/140672589.db2.gz YBEALUNNCQHJQW-CYBMUJFWSA-N 0 0 344.371 1.283 10 0 EDAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Cc1cn2ccsc2n1 ZINC000328960162 140686874 /nfs/dbraw/zinc/68/68/74/140686874.db2.gz KGRWRCIICXPKCR-ZDUSSCGKSA-N 0 0 345.428 1.878 10 0 EDAERN CCN1CCOC[C@H]1C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 ZINC000329053219 140693067 /nfs/dbraw/zinc/69/30/67/140693067.db2.gz LJKYYEPGIXRDEJ-HNNXBMFYSA-N 0 0 330.388 1.800 10 0 EDAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)Cc1noc2ccc(F)cc21 ZINC000333368159 141306833 /nfs/dbraw/zinc/30/68/33/141306833.db2.gz UORCNUILLFLXFF-MLGOLLRUSA-N 0 0 347.390 1.831 10 0 EDAERN Cn1cc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c([C@H]2CCOC2)n1 ZINC000333411382 141313767 /nfs/dbraw/zinc/31/37/67/141313767.db2.gz GYTSWQIAVVFSJC-HZMBPMFUSA-N 0 0 347.337 1.453 10 0 EDAERN O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333437920 141316902 /nfs/dbraw/zinc/31/69/02/141316902.db2.gz JDKOGCLUVUZZKV-CHWSQXEVSA-N 0 0 349.460 1.212 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)C[C@@]12CCCO2 ZINC000333630287 141347657 /nfs/dbraw/zinc/34/76/57/141347657.db2.gz BEMONLLYAINPIN-CBZIJGRNSA-N 0 0 339.480 1.695 10 0 EDAERN Cc1ccc(C)n1-c1c(C(=O)N[C@H]2CCc3ncnn3C2)cnn1C ZINC000112661618 292088969 /nfs/dbraw/zinc/08/89/69/292088969.db2.gz YHQYWSUHMPZXDF-ZDUSSCGKSA-N 0 0 339.403 1.164 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C12CCCC2 ZINC000246838691 286243457 /nfs/dbraw/zinc/24/34/57/286243457.db2.gz CGVUBFCTXNCLPR-RRFJBIMHSA-N 0 0 337.464 1.973 10 0 EDAERN COCCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000246841146 292399754 /nfs/dbraw/zinc/39/97/54/292399754.db2.gz JYYOANUTNDEDCJ-OWCLPIDISA-N 0 0 343.489 1.865 10 0 EDAERN COCCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@@H]1CCO[C@H]1C ZINC000330199241 161628910 /nfs/dbraw/zinc/62/89/10/161628910.db2.gz VCVWQIYEBMCQMS-SQWLQELKSA-N 0 0 338.448 1.430 10 0 EDAERN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)cn1C ZINC000074966372 287274937 /nfs/dbraw/zinc/27/49/37/287274937.db2.gz FTXBNDHHBDOIGE-JTQLQIEISA-N 0 0 326.374 1.753 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)c1cccs1 ZINC000081581855 287314093 /nfs/dbraw/zinc/31/40/93/287314093.db2.gz HVUUSYKQXLAQCG-LLVKDONJSA-N 0 0 333.417 1.419 10 0 EDAERN O=C(Nc1ccc(F)c(Br)c1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000164165390 226049956 /nfs/dbraw/zinc/04/99/56/226049956.db2.gz KJEKBXGRFUMSOP-UHFFFAOYSA-N 0 0 328.097 1.217 10 0 EDAERN CCc1noc([C@H](C)N2CCN(CN3CC(C)(C)OC3=O)CC2)n1 ZINC000124148770 287395075 /nfs/dbraw/zinc/39/50/75/287395075.db2.gz GAUPMVKHOCXPQT-LBPRGKRZSA-N 0 0 337.424 1.499 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)CC(=O)NC1CC1 ZINC000165769789 226135498 /nfs/dbraw/zinc/13/54/98/226135498.db2.gz YUIZYTDEXSHGRM-UHFFFAOYSA-N 0 0 333.207 1.084 10 0 EDAERN COC(=O)c1ccc(F)c(NC(=O)[C@H](C)NC(=O)c2ccco2)c1 ZINC000122800096 222160260 /nfs/dbraw/zinc/16/02/60/222160260.db2.gz IEKOSFAGEFOSNR-VIFPVBQESA-N 0 0 334.303 1.962 10 0 EDAERN C[C@H](CNC(=O)N1CCC(Cn2cccn2)CC1)N1CCOCC1 ZINC000122909703 222181126 /nfs/dbraw/zinc/18/11/26/222181126.db2.gz UZHULSBHVJTMTL-OAHLLOKOSA-N 0 0 335.452 1.025 10 0 EDAERN COC(=O)[C@@H]1CCCCN1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000130518121 287494034 /nfs/dbraw/zinc/49/40/34/287494034.db2.gz YLYPAFNTSMCWSG-HNNXBMFYSA-N 0 0 340.445 1.464 10 0 EDAERN COC(=O)c1cccc(CNC(=O)[C@H](C)NC(=O)c2ccco2)c1 ZINC000134664260 287558931 /nfs/dbraw/zinc/55/89/31/287558931.db2.gz FGVDZEIDWSESIF-NSHDSACASA-N 0 0 330.340 1.501 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000154255460 287641083 /nfs/dbraw/zinc/64/10/83/287641083.db2.gz HUHGQTJSASXUBJ-OAHLLOKOSA-N 0 0 336.436 1.068 10 0 EDAERN CC(=O)NC1CN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000191730531 272981048 /nfs/dbraw/zinc/98/10/48/272981048.db2.gz GKTQJNLGIXTEFX-ZDUSSCGKSA-N 0 0 343.221 1.009 10 0 EDAERN CC(C)(C)c1nnsc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000191955850 272983041 /nfs/dbraw/zinc/98/30/41/272983041.db2.gz CFDBAVRBKDBTJN-NSHDSACASA-N 0 0 335.433 1.573 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)C1 ZINC000193299232 272990605 /nfs/dbraw/zinc/99/06/05/272990605.db2.gz BMGGCHKEQNTSNH-AAEUAGOBSA-N 0 0 329.404 1.934 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)c1ccc(Cl)cc1 ZINC000193855672 272998855 /nfs/dbraw/zinc/99/88/55/272998855.db2.gz JTKJTLGPSXXQEJ-ZANVPECISA-N 0 0 326.780 1.585 10 0 EDAERN C[C@@H](CNC(=O)COc1ccc(F)cc1Cl)N1CCOCC1 ZINC000029959059 267382994 /nfs/dbraw/zinc/38/29/94/267382994.db2.gz FFLCQMNNYKGQIL-NSHDSACASA-N 0 0 330.787 1.695 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1coc(-c2cccs2)n1)C(C)C ZINC000178416576 267562487 /nfs/dbraw/zinc/56/24/87/267562487.db2.gz KVTMQZGVYFIMQO-GFCCVEGCSA-N 0 0 336.417 1.973 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000189730425 267782598 /nfs/dbraw/zinc/78/25/98/267782598.db2.gz FDARIVAEEGTKKB-UHFFFAOYSA-N 0 0 333.432 1.893 10 0 EDAERN O=C(Nc1ccc(F)cc1NC(=O)[C@@H]1CNC(=O)C1)c1ccccn1 ZINC000194820044 267865762 /nfs/dbraw/zinc/86/57/62/267865762.db2.gz YHZXZPHARSIJDD-JTQLQIEISA-N 0 0 342.330 1.548 10 0 EDAERN CCOC(C)(C)CNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000187568000 272950804 /nfs/dbraw/zinc/95/08/04/272950804.db2.gz UQNAEPRFQMPNEN-HNNXBMFYSA-N 0 0 338.452 1.725 10 0 EDAERN CN1CCN(c2nc(N)nc3nc(Br)sc32)CC1 ZINC000091691436 273900909 /nfs/dbraw/zinc/90/09/09/273900909.db2.gz OPCDURVIYKOVIH-UHFFFAOYSA-N 0 0 329.227 1.183 10 0 EDAERN COCC[C@@H](C)NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](C)CCOC ZINC000245629763 287715600 /nfs/dbraw/zinc/71/56/00/287715600.db2.gz PVZJYZPTPMGUNQ-PYHGIMPFSA-N 0 0 328.453 1.485 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1N1CCOCC1 ZINC000246619097 287746588 /nfs/dbraw/zinc/74/65/88/287746588.db2.gz XQRKEHSLDAELJI-XHDPSFHLSA-N 0 0 346.399 1.306 10 0 EDAERN C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000248743546 287779142 /nfs/dbraw/zinc/77/91/42/287779142.db2.gz CBDOLIZZUYDUPB-PVAVHDDUSA-N 0 0 347.459 1.978 10 0 EDAERN CC(C)n1nnnc1CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192153769 275798919 /nfs/dbraw/zinc/79/89/19/275798919.db2.gz JYXZENQPDQTAJA-XJKSGUPXSA-N 0 0 348.838 1.969 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)/C=C\c1ccc2ccc(Cl)cc2n1 ZINC000255916758 287853453 /nfs/dbraw/zinc/85/34/53/287853453.db2.gz KWGGMXPJYAFFGS-IYKSTZQJSA-N 0 0 345.786 1.614 10 0 EDAERN CCC[C@](C)(O)C(=O)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000125329902 276292405 /nfs/dbraw/zinc/29/24/05/276292405.db2.gz FBINJGIUXDWNGC-KRWDZBQOSA-N 0 0 336.436 1.383 10 0 EDAERN CC(=O)Nc1cc(C(=O)N[C@H]2CCCn3nc(C)nc32)ccc1F ZINC000081582479 277063263 /nfs/dbraw/zinc/06/32/63/277063263.db2.gz GERKKQJGGFEGGH-ZDUSSCGKSA-N 0 0 331.351 1.949 10 0 EDAERN COC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)C(C)C ZINC000089257424 277336148 /nfs/dbraw/zinc/33/61/48/277336148.db2.gz VWXWLCHPOXFVQY-CZUORRHYSA-N 0 0 326.368 1.530 10 0 EDAERN CC(C)[C@H]1N(C(=O)c2cn(CC3(C)COC3)nn2)C[C@@]12CCCO2 ZINC000329434420 277973285 /nfs/dbraw/zinc/97/32/85/277973285.db2.gz INYSISIJFRKAIQ-PBHICJAKSA-N 0 0 334.420 1.344 10 0 EDAERN NNS(=O)(=O)c1cc(Br)ccc1Br ZINC000020432571 279660080 /nfs/dbraw/zinc/66/00/80/279660080.db2.gz PPTDVGLQXPUZJO-UHFFFAOYSA-N 0 0 330.001 1.364 10 0 EDAERN NS(=O)(=O)c1cc(OC2CC2)ccc1I ZINC000095734606 279663366 /nfs/dbraw/zinc/66/33/66/279663366.db2.gz XDRRJENAYBSILV-UHFFFAOYSA-N 0 0 339.154 1.480 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H](C)CN2CCOCC2)C[C@]12CCCO2 ZINC000333684643 280050984 /nfs/dbraw/zinc/05/09/84/280050984.db2.gz BCOYVRAINXVTRI-HLLBOEOZSA-N 0 0 325.453 1.306 10 0 EDAERN Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1 ZINC000177626838 280390101 /nfs/dbraw/zinc/39/01/01/280390101.db2.gz DDMHENCJLDFRMH-CYBMUJFWSA-N 0 0 327.388 1.273 10 0 EDAERN CCc1cccc(S(=O)(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000186348980 281440656 /nfs/dbraw/zinc/44/06/56/281440656.db2.gz GCRWLRBOPWGOLT-CQSZACIVSA-N 0 0 337.401 1.703 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N2CCC3(C2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000129404649 289817875 /nfs/dbraw/zinc/81/78/75/289817875.db2.gz QWLYYYTWMTUQNY-GDBMZVCRSA-N 0 0 348.374 1.321 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)N(C3CC3)C3CCCC3)CCO2)[nH]1 ZINC000173671425 293124528 /nfs/dbraw/zinc/12/45/28/293124528.db2.gz XKRPKAFEDFTEIZ-HNNXBMFYSA-N 0 0 333.436 1.420 10 0 EDAERN COC[C@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)CC(C)(C)O1 ZINC000329196489 293226492 /nfs/dbraw/zinc/22/64/92/293226492.db2.gz SYURNBQAXKHFJX-CVEARBPZSA-N 0 0 340.464 1.140 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000156128852 293338125 /nfs/dbraw/zinc/33/81/25/293338125.db2.gz FQGVFJRHXUSWAX-XQQFMLRXSA-N 0 0 334.420 1.627 10 0 EDAERN CO[C@@](C)(C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1F ZINC000192136946 294050657 /nfs/dbraw/zinc/05/06/57/294050657.db2.gz PGKJEQCEGZZJHL-KBXCAEBGSA-N 0 0 336.407 1.620 10 0 EDAERN Cn1nccc1C1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)CC1 ZINC000176875737 294583532 /nfs/dbraw/zinc/58/35/32/294583532.db2.gz SSCHWBOPJSZRJN-UHFFFAOYSA-N 0 0 339.461 1.341 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000151259500 295482020 /nfs/dbraw/zinc/48/20/20/295482020.db2.gz QPVQMKYQDRWCFM-XJKSGUPXSA-N 0 0 329.462 1.355 10 0 EDAERN Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000155373665 301144521 /nfs/dbraw/zinc/14/45/21/301144521.db2.gz QSKHYNHKSRPJTC-LLVKDONJSA-N 0 0 347.419 1.038 10 0 EDAERN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000329591500 302146535 /nfs/dbraw/zinc/14/65/35/302146535.db2.gz UDXDOHYREGTJGL-MWQQHZPXSA-N 0 0 344.411 1.886 10 0 EDAERN Cc1csc([C@H]2COCCN2C(=O)c2cnn3ccncc23)n1 ZINC000329515616 302451309 /nfs/dbraw/zinc/45/13/09/302451309.db2.gz OOTAEGRBSCEHLH-CYBMUJFWSA-N 0 0 329.385 1.708 10 0 EDAERN O=C(NCc1ccc(CO)c(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171905945 302945468 /nfs/dbraw/zinc/94/54/68/302945468.db2.gz UDZKOGJPYIJBSU-OAHLLOKOSA-N 0 0 348.378 1.125 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 ZINC000172304150 302947453 /nfs/dbraw/zinc/94/74/53/302947453.db2.gz GPUMYDRXOVVCSS-INIZCTEOSA-N 0 0 347.463 1.536 10 0 EDAERN Cn1ncc2c1CCCN(C(=O)[C@H]1COCCN1CC1CCC1)C2 ZINC000334013301 303054114 /nfs/dbraw/zinc/05/41/14/303054114.db2.gz WVHNPGKANLJSPE-QGZVFWFLSA-N 0 0 332.448 1.196 10 0 EDAERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000043930387 440810483 /nfs/dbraw/zinc/81/04/83/440810483.db2.gz QWWOTGMQWGARAK-RCQQVGEISA-N 0 0 347.371 1.838 10 0 EDAERN Cc1cc(N(C)[C@@H]2CCS(=O)(=O)C2)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226525 440914524 /nfs/dbraw/zinc/91/45/24/440914524.db2.gz ICMVGLCJKMXLNO-GFCCVEGCSA-N 0 0 334.397 1.865 10 0 EDAERN CCOCCCNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000045118046 440952127 /nfs/dbraw/zinc/95/21/27/440952127.db2.gz JIOSBFJSISQORC-LBPRGKRZSA-N 0 0 328.434 1.877 10 0 EDAERN Cc1ccc(C(=O)N2CC[C@@H](n3c(=O)n(C)c4cncnc43)C2)s1 ZINC000097940720 441145580 /nfs/dbraw/zinc/14/55/80/441145580.db2.gz QHULPJJCRGPOQX-LLVKDONJSA-N 0 0 343.412 1.587 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(CC(=O)NCc2ccc(C)cc2)C1 ZINC000101565225 441157453 /nfs/dbraw/zinc/15/74/53/441157453.db2.gz ZNXJNBDVLKULRL-KRWDZBQOSA-N 0 0 331.460 1.992 10 0 EDAERN CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)C(C)C)cc1 ZINC000017054489 441235145 /nfs/dbraw/zinc/23/51/45/441235145.db2.gz GZHQHHSQNJJOPH-CYBMUJFWSA-N 0 0 342.461 1.914 10 0 EDAERN COc1ccc(O[C@H](C)CNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000080967290 441213305 /nfs/dbraw/zinc/21/33/05/441213305.db2.gz MYNDEGLQDJMJIR-CHWSQXEVSA-N 0 0 346.383 1.990 10 0 EDAERN CCCCNC(=O)[C@H](C)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105865251 441295705 /nfs/dbraw/zinc/29/57/05/441295705.db2.gz WACDLSIHGMVETC-KBPBESRZSA-N 0 0 337.468 1.615 10 0 EDAERN Cc1noc([C@H](C)N2CCN(CC(=O)NCCC(C)(C)C)CC2)n1 ZINC000105864729 441295844 /nfs/dbraw/zinc/29/58/44/441295844.db2.gz KWSNGVHYGQFSPN-ZDUSSCGKSA-N 0 0 337.468 1.609 10 0 EDAERN CCOCCN1CCN(CC(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000105834602 441286867 /nfs/dbraw/zinc/28/68/67/441286867.db2.gz QQONHLUYWMDASY-KRWDZBQOSA-N 0 0 333.476 1.688 10 0 EDAERN COCCOc1cccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000081579207 441292981 /nfs/dbraw/zinc/29/29/81/441292981.db2.gz RBODCQRPKBJVTD-OAHLLOKOSA-N 0 0 330.388 1.877 10 0 EDAERN COc1ccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)cc1OC ZINC000105898211 441312178 /nfs/dbraw/zinc/31/21/78/441312178.db2.gz SSVGOZGOSHKZJO-AWEZNQCLSA-N 0 0 345.403 1.571 10 0 EDAERN Cc1cnn([C@H]2CCCN(CC(=O)N(C)Cc3cnn(C)c3)C2)c1 ZINC000105901437 441313357 /nfs/dbraw/zinc/31/33/57/441313357.db2.gz FVYXBRHTUSEQKW-INIZCTEOSA-N 0 0 330.436 1.221 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NCCc2cccs2)C[C@@H]1C ZINC000105913898 441314991 /nfs/dbraw/zinc/31/49/91/441314991.db2.gz KGZKZCULIFNDBC-GJZGRUSLSA-N 0 0 339.505 1.448 10 0 EDAERN CC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000083698984 441369121 /nfs/dbraw/zinc/36/91/21/441369121.db2.gz LHQSPKXBTFXQHZ-OAHLLOKOSA-N 0 0 342.403 1.879 10 0 EDAERN c1nnc2ccc(N3CCN(Cc4noc5c4CCCC5)CC3)nn12 ZINC000108867293 441478868 /nfs/dbraw/zinc/47/88/68/441478868.db2.gz YPNOZACKLIESQZ-UHFFFAOYSA-N 0 0 339.403 1.313 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000110357935 441517104 /nfs/dbraw/zinc/51/71/04/441517104.db2.gz KRNKERFYQXPRCM-JTQLQIEISA-N 0 0 327.837 1.182 10 0 EDAERN COc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC000075528102 441530596 /nfs/dbraw/zinc/53/05/96/441530596.db2.gz DOXKOLTZFGOFFB-YPMHNXCESA-N 0 0 338.429 1.618 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H](C)c3c(C)noc3C)CC2)no1 ZINC000109922605 441511278 /nfs/dbraw/zinc/51/12/78/441511278.db2.gz NDBHWHIMVBTLJR-NSHDSACASA-N 0 0 347.419 1.821 10 0 EDAERN O=C(CSc1nc2ccccc2o1)N[C@H]1CCc2ncnn2C1 ZINC000112658207 441553628 /nfs/dbraw/zinc/55/36/28/441553628.db2.gz XSQLVTCSJHZOCY-JTQLQIEISA-N 0 0 329.385 1.643 10 0 EDAERN C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)N(C)c1ccccc1 ZINC000112743077 441557184 /nfs/dbraw/zinc/55/71/84/441557184.db2.gz YKRDMFCSVPPMLG-KGLIPLIRSA-N 0 0 328.420 1.417 10 0 EDAERN CCOC(=O)[C@@H](N)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000038600274 441615688 /nfs/dbraw/zinc/61/56/88/441615688.db2.gz WFLNMRHMSASNEO-NSHDSACASA-N 0 0 331.409 1.567 10 0 in-vitro EDAERN O=C(CSc1nnnn1C1CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113886001 441626838 /nfs/dbraw/zinc/62/68/38/441626838.db2.gz ZUQKNHFMFFOPGB-GFCCVEGCSA-N 0 0 333.421 1.577 10 0 EDAERN O=C(Cc1ccc(Br)s1)N[C@H]1CCc2ncnn2C1 ZINC000114357026 441647852 /nfs/dbraw/zinc/64/78/52/441647852.db2.gz RTWVCMBCLAIFKL-QMMMGPOBSA-N 0 0 341.234 1.776 10 0 EDAERN Cc1csc(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 ZINC000041539311 441658883 /nfs/dbraw/zinc/65/88/83/441658883.db2.gz PUMSNOIDRUVATF-JTQLQIEISA-N 0 0 329.381 1.752 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)CC2 ZINC000114865355 441693278 /nfs/dbraw/zinc/69/32/78/441693278.db2.gz ZBFONDZFGIDJBA-PBHICJAKSA-N 0 0 327.432 1.574 10 0 EDAERN NC(=O)c1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000136932330 441733605 /nfs/dbraw/zinc/73/36/05/441733605.db2.gz OFQBICACSCFJTB-MAUKXSAKSA-N 0 0 331.416 1.622 10 0 EDAERN CNC(=O)c1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000136984771 441736427 /nfs/dbraw/zinc/73/64/27/441736427.db2.gz OZMKSEKEEVTUEL-LPHOPBHVSA-N 0 0 345.443 1.883 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCc2cccc(-c3ccccn3)c2)C1 ZINC000158466286 441740315 /nfs/dbraw/zinc/74/03/15/441740315.db2.gz DVIMSBXHYCHFFP-QGZVFWFLSA-N 0 0 340.427 1.878 10 0 EDAERN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091785546 441742523 /nfs/dbraw/zinc/74/25/23/441742523.db2.gz WCIFEKYWVLBDFE-DOMZBBRYSA-N 0 0 334.416 1.464 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000091785160 441742682 /nfs/dbraw/zinc/74/26/82/441742682.db2.gz PZWJQAKEVQXJEL-GFCCVEGCSA-N 0 0 328.821 1.535 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000173355058 441721999 /nfs/dbraw/zinc/72/19/99/441721999.db2.gz XUQABJGEYMTJRE-XHDPSFHLSA-N 0 0 347.394 1.330 10 0 EDAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3ccccc3C)CCO2)[nH]1 ZINC000173353030 441722565 /nfs/dbraw/zinc/72/25/65/441722565.db2.gz UVWQELOVPOKFDU-DOMZBBRYSA-N 0 0 329.404 1.822 10 0 EDAERN CCN(C(=O)[C@@H](C)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000173357396 441724318 /nfs/dbraw/zinc/72/43/18/441724318.db2.gz KRIWFEMGWNYXMM-CJNGLKHVSA-N 0 0 343.431 1.928 10 0 EDAERN COC(=O)c1ccccc1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116369792 441815514 /nfs/dbraw/zinc/81/55/14/441815514.db2.gz OYKTYVVGTIPDGI-LBPRGKRZSA-N 0 0 349.412 1.385 10 0 EDAERN O=C([C@H]1CCCCN1c1ncnc2ccc(F)cc21)N1CCOCC1 ZINC000092664416 441817641 /nfs/dbraw/zinc/81/76/41/441817641.db2.gz GKBGUSDOFIYZRW-MRXNPFEDSA-N 0 0 344.390 1.987 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1nnc2n1CCCC2 ZINC000121765395 441775654 /nfs/dbraw/zinc/77/56/54/441775654.db2.gz AVMJIQWITAQZGX-VIFPVBQESA-N 0 0 342.371 1.932 10 0 EDAERN COc1ccccc1NC(=O)CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173669921 441820535 /nfs/dbraw/zinc/82/05/35/441820535.db2.gz WADWFJPCZXGAJX-AWEZNQCLSA-N 0 0 331.376 1.134 10 0 EDAERN CCN(CC1CC1)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173557870 441789553 /nfs/dbraw/zinc/78/95/53/441789553.db2.gz KOEOMPYGTXGJMP-CQSZACIVSA-N 0 0 333.436 1.665 10 0 EDAERN O=C(NCc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CNC(=O)C1 ZINC000138453369 441791458 /nfs/dbraw/zinc/79/14/58/441791458.db2.gz YAAUKBOQQWQGPP-CQSZACIVSA-N 0 0 334.379 1.778 10 0 EDAERN C[C@@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)[C@@H](C)N1CCOCC1 ZINC000159210301 441793805 /nfs/dbraw/zinc/79/38/05/441793805.db2.gz AHVQGJDFNSXQPU-ZIAGYGMSSA-N 0 0 335.452 1.408 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(C)n(C(C)(C)C)n3)CCO2)[nH]1 ZINC000173572672 441795604 /nfs/dbraw/zinc/79/56/04/441795604.db2.gz TUYAMEFHDTUNMA-ZDUSSCGKSA-N 0 0 346.435 1.841 10 0 EDAERN CCc1c(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)[nH]c(C)c1C(C)=O ZINC000173603260 441802033 /nfs/dbraw/zinc/80/20/33/441802033.db2.gz INKTZGCBJIUFTI-ZDUSSCGKSA-N 0 0 345.403 1.728 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3cccc(Cl)c3)C2)cn1 ZINC000116229275 441803117 /nfs/dbraw/zinc/80/31/17/441803117.db2.gz FCKWZPXRJOSUQE-CYBMUJFWSA-N 0 0 346.818 1.819 10 0 EDAERN COc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(O)c1 ZINC000122672962 441858453 /nfs/dbraw/zinc/85/84/53/441858453.db2.gz KYKBMGRKAMHNID-CYBMUJFWSA-N 0 0 342.399 1.932 10 0 EDAERN CC(C)CO[C@@H](C)c1noc(CN2CC[C@H](N3CCOCC3)C2)n1 ZINC000173900736 441859406 /nfs/dbraw/zinc/85/94/06/441859406.db2.gz XEJZKDTYYALJAE-GJZGRUSLSA-N 0 0 338.452 1.710 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCc3ccccn3)C2)n1 ZINC000117022105 441862098 /nfs/dbraw/zinc/86/20/98/441862098.db2.gz RKJBDFRWQNMDDL-INIZCTEOSA-N 0 0 342.447 1.954 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000117522502 441874800 /nfs/dbraw/zinc/87/48/00/441874800.db2.gz QDXYVYGLYOFRJO-HNNXBMFYSA-N 0 0 333.432 1.421 10 0 EDAERN COCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000117288764 441867094 /nfs/dbraw/zinc/86/70/94/441867094.db2.gz MPJGUTQELBOUFB-HNNXBMFYSA-N 0 0 342.443 1.973 10 0 EDAERN CCN(C)C(=O)c1cccc(C(=O)N2CCN(CCOC)[C@@H](C)C2)c1 ZINC000117286841 441867768 /nfs/dbraw/zinc/86/77/68/441867768.db2.gz PYLQAARQNFLIKK-HNNXBMFYSA-N 0 0 347.459 1.571 10 0 EDAERN CCc1c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000173969459 441871287 /nfs/dbraw/zinc/87/12/87/441871287.db2.gz SHNWDHJJNYGIFB-LRDDRELGSA-N 0 0 347.459 1.881 10 0 EDAERN Cc1cccc(C)c1NCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000173675063 441822186 /nfs/dbraw/zinc/82/21/86/441822186.db2.gz ORIOGIKWOCYAKH-MRXNPFEDSA-N 0 0 328.416 1.839 10 0 EDAERN Cc1nnc([C@H]2CN(CC(=O)NCc3cccc(Cl)c3)CCO2)[nH]1 ZINC000173676863 441822834 /nfs/dbraw/zinc/82/28/34/441822834.db2.gz VPQHTFBETNGMOY-CQSZACIVSA-N 0 0 349.822 1.456 10 0 EDAERN CC(C)(C)OC(=O)N1CCC(C[NH3+])([N-]C(=O)C(F)(F)F)CC1 ZINC000116597603 441832886 /nfs/dbraw/zinc/83/28/86/441832886.db2.gz KRODGJMXUQMIBJ-UHFFFAOYSA-N 0 0 325.331 1.393 10 0 EDAERN C[C@@H](Oc1cccnc1)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122182280 441838683 /nfs/dbraw/zinc/83/86/83/441838683.db2.gz SUHYYFJUNRSPMP-CABCVRRESA-N 0 0 341.415 1.766 10 0 EDAERN O=C(N[C@H]1CCc2cc(F)ccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173791398 441841112 /nfs/dbraw/zinc/84/11/12/441841112.db2.gz IEJABWQHQLYHSV-WBVHZDCISA-N 0 0 333.407 1.929 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccnc2N2CCCC2)C[C@H]1N1CCOCC1 ZINC000173808428 441843462 /nfs/dbraw/zinc/84/34/62/441843462.db2.gz VNYPUBLNEPDCDP-NVXWUHKLSA-N 0 0 344.459 1.475 10 0 EDAERN CC[C@H]1CN(C(=O)c2cccc(C(=O)NC)c2)CCN1CCOC ZINC000173807010 441843505 /nfs/dbraw/zinc/84/35/05/441843505.db2.gz JPZZTIHPMOIAHQ-INIZCTEOSA-N 0 0 333.432 1.229 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC)C1)c1ccccc1C ZINC000173816149 441843908 /nfs/dbraw/zinc/84/39/08/441843908.db2.gz CTKHXRHTVCUGFH-ZBFHGGJFSA-N 0 0 346.427 1.974 10 0 EDAERN C[C@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)C[C@@H]1N1CCOCC1 ZINC000173860590 441851450 /nfs/dbraw/zinc/85/14/50/441851450.db2.gz MSIILJFSGDLLIE-WFASDCNBSA-N 0 0 346.456 1.931 10 0 EDAERN CCOc1ccccc1CNC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117483992 441874372 /nfs/dbraw/zinc/87/43/72/441874372.db2.gz JQJXMJIKEBNBEU-HNNXBMFYSA-N 0 0 335.448 1.947 10 0 EDAERN Cc1nccn1CCCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173894573 441857027 /nfs/dbraw/zinc/85/70/27/441857027.db2.gz SAXNKJDMUMTUKR-MRXNPFEDSA-N 0 0 335.452 1.088 10 0 EDAERN O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118674942 441901208 /nfs/dbraw/zinc/90/12/08/441901208.db2.gz YYTLGSPDXSXHRG-AWEZNQCLSA-N 0 0 340.383 1.533 10 0 EDAERN Cn1cc(N2CCN(C(=O)N[C@H]3COc4ccccc43)CC2)cn1 ZINC000174215730 441903279 /nfs/dbraw/zinc/90/32/79/441903279.db2.gz OHOZEBXJMDXCJC-HNNXBMFYSA-N 0 0 327.388 1.385 10 0 EDAERN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)c2cnccn2)C1 ZINC000095074590 441909520 /nfs/dbraw/zinc/90/95/20/441909520.db2.gz FHLLJACGVJWEHB-ZDUSSCGKSA-N 0 0 334.420 1.991 10 0 EDAERN C[C@@H](Oc1cccnc1)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000117792712 441879059 /nfs/dbraw/zinc/87/90/59/441879059.db2.gz HAUWDIGPEXDGHW-CQSZACIVSA-N 0 0 341.415 1.766 10 0 EDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)n(C)n1 ZINC000174042127 441882446 /nfs/dbraw/zinc/88/24/46/441882446.db2.gz QAYKZQFRYUPXNV-AWEZNQCLSA-N 0 0 348.428 1.202 10 0 EDAERN CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Oc3cccnc3)C2)C1 ZINC000123339760 441884532 /nfs/dbraw/zinc/88/45/32/441884532.db2.gz HYPSZIJMCZKYSB-ZBFHGGJFSA-N 0 0 331.416 1.710 10 0 EDAERN O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1CCCn2ncnc21 ZINC000093366771 441885215 /nfs/dbraw/zinc/88/52/15/441885215.db2.gz ZTNGNBWDEYAAIJ-ZDUSSCGKSA-N 0 0 338.375 1.575 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000118079390 441885515 /nfs/dbraw/zinc/88/55/15/441885515.db2.gz DNCJSQXSSKHKMW-AWEZNQCLSA-N 0 0 332.408 1.547 10 0 EDAERN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cn1 ZINC000077939041 441888889 /nfs/dbraw/zinc/88/88/89/441888889.db2.gz RXTBGLBPOQOXJK-UKRRQHHQSA-N 0 0 348.447 1.534 10 0 EDAERN COc1ccc(Cl)c(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000118132638 441891213 /nfs/dbraw/zinc/89/12/13/441891213.db2.gz NWQICXXRAZJZAM-UHFFFAOYSA-N 0 0 336.779 1.608 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000174132266 441891578 /nfs/dbraw/zinc/89/15/78/441891578.db2.gz HNPUGMIUCNLEOP-WMLDXEAASA-N 0 0 333.432 1.902 10 0 EDAERN CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3nc[nH]c32)c1 ZINC000146075327 441894062 /nfs/dbraw/zinc/89/40/62/441894062.db2.gz DKTDTIMJXXTKNI-UHFFFAOYSA-N 0 0 347.404 1.022 10 0 EDAERN O=C(Nc1cccc([C@H]2NC(=O)[C@H]3COCCN32)c1)C(F)(F)F ZINC000093884907 441898281 /nfs/dbraw/zinc/89/82/81/441898281.db2.gz OSEDJXHOUWTKCV-MNOVXSKESA-N 0 0 329.278 1.017 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000150891511 441969841 /nfs/dbraw/zinc/96/98/41/441969841.db2.gz PGRYNULFYBAFBF-HZSPNIEDSA-N 0 0 345.403 1.484 10 0 EDAERN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000150791768 441952218 /nfs/dbraw/zinc/95/22/18/441952218.db2.gz FHAYXLYLIAPMPR-CABZTGNLSA-N 0 0 343.349 1.887 10 0 EDAERN COC(=O)c1cccc2c(=O)c(I)c[nH]c12 ZINC000095705158 441953346 /nfs/dbraw/zinc/95/33/46/441953346.db2.gz LZTKYBQCMZLKOI-UHFFFAOYSA-N 0 0 329.093 1.919 10 0 EDAERN Cc1ccc(F)c(OCC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000124892511 441963981 /nfs/dbraw/zinc/96/39/81/441963981.db2.gz LHNYTCLGRXMPDH-AWEZNQCLSA-N 0 0 333.363 1.637 10 0 EDAERN CCCNC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000120061093 442002097 /nfs/dbraw/zinc/00/20/97/442002097.db2.gz BJVDULYNECZUMD-AWEZNQCLSA-N 0 0 332.404 1.569 10 0 EDAERN C[C@H](CNC(=O)N1CC[C@@H](Cc2ccccc2)C1)N1CCOCC1 ZINC000175008657 441994008 /nfs/dbraw/zinc/99/40/08/441994008.db2.gz SZIUCTMZGJRDGH-AEFFLSMTSA-N 0 0 331.460 1.981 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)c2cc(S(C)(=O)=O)cs2)cn1 ZINC000125095880 441983269 /nfs/dbraw/zinc/98/32/69/441983269.db2.gz XWFMWQWYHTWKKV-LBPRGKRZSA-N 0 0 339.442 1.862 10 0 EDAERN Cc1cc2cc(NC(=O)C(=O)NC[C@@H](C)N3CCOCC3)ccc2[nH]1 ZINC000119994153 441989494 /nfs/dbraw/zinc/98/94/94/441989494.db2.gz DHRYJRDZEJVEKE-CYBMUJFWSA-N 0 0 344.415 1.252 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(C)s3)C2=O)n(C)n1 ZINC000174977286 441989768 /nfs/dbraw/zinc/98/97/68/441989768.db2.gz SRWHDUDRHGWOOL-AWEZNQCLSA-N 0 0 346.456 1.953 10 0 EDAERN CCc1cc(=O)[nH]c(CN2CCO[C@H](Cn3nc(C)cc3C)C2)n1 ZINC000120150431 442017789 /nfs/dbraw/zinc/01/77/89/442017789.db2.gz KYIALSXPCYUMPM-HNNXBMFYSA-N 0 0 331.420 1.459 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CCO[C@]3(CCc4ccccc43)C2)C1 ZINC000120240726 442034243 /nfs/dbraw/zinc/03/42/43/442034243.db2.gz PTFRBNQSSNFCDH-QFBILLFUSA-N 0 0 345.443 1.201 10 0 EDAERN COc1ccc(CCNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000175611076 442093499 /nfs/dbraw/zinc/09/34/99/442093499.db2.gz FINSPRJAXFZXNO-YJBOKZPZSA-N 0 0 347.459 1.600 10 0 EDAERN O=C(CCOC1CCOCC1)N1CCO[C@H](c2nccs2)C1 ZINC000175398237 442056243 /nfs/dbraw/zinc/05/62/43/442056243.db2.gz GRVWSQITTAAJTD-ZDUSSCGKSA-N 0 0 326.418 1.629 10 0 EDAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151591927 442088992 /nfs/dbraw/zinc/08/89/92/442088992.db2.gz KWZDLUOBHUWKTR-IAQYHMDHSA-N 0 0 342.417 1.003 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2nncn2C2CC2)C1 ZINC000151709657 442110120 /nfs/dbraw/zinc/11/01/20/442110120.db2.gz VROJCQMBPCTSTA-LLVKDONJSA-N 0 0 335.408 1.486 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NC[C@@]3(C)CCCO3)CC2)cn1 ZINC000126447917 442112774 /nfs/dbraw/zinc/11/27/74/442112774.db2.gz JYNAKJBQGNPUJD-GOSISDBHSA-N 0 0 349.479 1.689 10 0 EDAERN CCc1nc(C2(NC(=O)CSc3n[nH]c(C)n3)CCCC2)no1 ZINC000175801032 442125840 /nfs/dbraw/zinc/12/58/40/442125840.db2.gz LRKXMKOFBNFOMC-UHFFFAOYSA-N 0 0 336.421 1.736 10 0 EDAERN CC(C)CCn1cc(C(=O)N2CCO[C@H](c3nccs3)C2)nn1 ZINC000151824878 442125915 /nfs/dbraw/zinc/12/59/15/442125915.db2.gz LHORLHYRVPRFBR-ZDUSSCGKSA-N 0 0 335.433 1.994 10 0 EDAERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cnc(N(C)C)nc2)cc1 ZINC000162902944 442130339 /nfs/dbraw/zinc/13/03/39/442130339.db2.gz IBRWXMAIJABUOT-LBPRGKRZSA-N 0 0 341.415 1.921 10 0 EDAERN COC(=O)[C@H](c1ccccc1C)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000163031567 442139763 /nfs/dbraw/zinc/13/97/63/442139763.db2.gz ZLBNPMPKZIBQEJ-GJZGRUSLSA-N 0 0 330.388 1.709 10 0 EDAERN CC(C)N(C)C(=O)C1CCN(C(=O)CN2[C@H](C)COC[C@H]2C)CC1 ZINC000120907820 442150209 /nfs/dbraw/zinc/15/02/09/442150209.db2.gz MSSQSZJDGSMFBD-HUUCEWRRSA-N 0 0 339.480 1.201 10 0 EDAERN COc1ccc2c(c1)C=C(C(=O)N1CC[C@H](N3CCOCC3)C1)CO2 ZINC000120882436 442146438 /nfs/dbraw/zinc/14/64/38/442146438.db2.gz UIMCMSWJIILVPA-INIZCTEOSA-N 0 0 344.411 1.404 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(-c3ccncc3)on2)n1 ZINC000121074797 442173442 /nfs/dbraw/zinc/17/34/42/442173442.db2.gz OMULHJBUSCJLFK-ZDUSSCGKSA-N 0 0 341.327 1.642 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176098335 442175756 /nfs/dbraw/zinc/17/57/56/442175756.db2.gz RTNZSPLVCFYLAW-NSHDSACASA-N 0 0 329.360 1.185 10 0 EDAERN NS(=O)(=O)Nc1ccc(Br)cc1Br ZINC000163925773 442185784 /nfs/dbraw/zinc/18/57/84/442185784.db2.gz NDYUGFOFILMPLR-UHFFFAOYSA-N 0 0 330.001 1.827 10 0 EDAERN Cc1cc(-n2c(C)cc(C(=O)NC[C@@H](C)N3CCOCC3)c2C)no1 ZINC000097252843 442190457 /nfs/dbraw/zinc/19/04/57/442190457.db2.gz NSDFTOXYQDQVDX-CYBMUJFWSA-N 0 0 346.431 1.841 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000121269589 442197532 /nfs/dbraw/zinc/19/75/32/442197532.db2.gz UOXRYTIBKPKKFE-LLVKDONJSA-N 0 0 341.770 1.545 10 0 EDAERN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000121296315 442200937 /nfs/dbraw/zinc/20/09/37/442200937.db2.gz GUYKAWDJEQLMIA-LSDHHAIUSA-N 0 0 336.432 1.437 10 0 EDAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000152006790 442153520 /nfs/dbraw/zinc/15/35/20/442153520.db2.gz XGIBMKRPUSTFES-OLZOCXBDSA-N 0 0 347.383 1.857 10 0 EDAERN COc1cccc(OCCN2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000152881621 442249598 /nfs/dbraw/zinc/24/95/98/442249598.db2.gz PEENOYLUAIHPQQ-GOSISDBHSA-N 0 0 331.416 1.980 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1cc(F)ccc1F)CC2 ZINC000176368341 442215097 /nfs/dbraw/zinc/21/50/97/442215097.db2.gz YGNHNKFBBHJSGW-ZDUSSCGKSA-N 0 0 349.385 1.975 10 0 EDAERN CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000176382480 442216236 /nfs/dbraw/zinc/21/62/36/442216236.db2.gz WHWCJRQECYCPNM-NSHDSACASA-N 0 0 346.460 1.770 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1ccc(F)cc1F ZINC000176569508 442235556 /nfs/dbraw/zinc/23/55/56/442235556.db2.gz FQZFUWXJWBELJL-QHCPKHFHSA-N 0 0 343.359 1.420 10 0 EDAERN CC[C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)c1cccc(Cl)c1 ZINC000176621740 442240810 /nfs/dbraw/zinc/24/08/10/442240810.db2.gz PSQQRIQGAPTLIF-ZDUSSCGKSA-N 0 0 336.775 1.895 10 0 EDAERN CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000153121134 442262993 /nfs/dbraw/zinc/26/29/93/442262993.db2.gz IWIKAPLHKYSXLP-CVEARBPZSA-N 0 0 342.505 1.991 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)[C@H](C)CS(C)(=O)=O)no1 ZINC000176923375 442273775 /nfs/dbraw/zinc/27/37/75/442273775.db2.gz QZTVJOMODLBWIF-GHMZBOCLSA-N 0 0 329.422 1.537 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000176997124 442282300 /nfs/dbraw/zinc/28/23/00/442282300.db2.gz KVCDEJACPCYVIZ-DOMZBBRYSA-N 0 0 328.409 1.167 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)c2ccnc3c(C(N)=O)cnn32)cc1F ZINC000153711439 442297728 /nfs/dbraw/zinc/29/77/28/442297728.db2.gz MKSILCCIGDTILZ-SNVBAGLBSA-N 0 0 341.346 1.767 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000177125169 442300888 /nfs/dbraw/zinc/30/08/88/442300888.db2.gz VCEYRUXTEOAPFJ-GHMZBOCLSA-N 0 0 332.383 1.946 10 0 EDAERN CC[C@H](C)[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000154144087 442323745 /nfs/dbraw/zinc/32/37/45/442323745.db2.gz YUSNAZWUTATAQL-RYQLBKOJSA-N 0 0 334.460 1.626 10 0 EDAERN COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177308005 442327033 /nfs/dbraw/zinc/32/70/33/442327033.db2.gz HVRBRTMDBHBTQI-ZIAGYGMSSA-N 0 0 331.376 1.154 10 0 EDAERN CCCCc1nnc(NC(=O)N2CCN(C[C@H](O)CC)CC2)s1 ZINC000129662755 442327387 /nfs/dbraw/zinc/32/73/87/442327387.db2.gz PPKUKPZFPNGQMB-GFCCVEGCSA-N 0 0 341.481 1.801 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)c3cnn4ccc(C)nc34)C2)no1 ZINC000171233611 442331206 /nfs/dbraw/zinc/33/12/06/442331206.db2.gz LEVBSBSVWFYDLN-CYBMUJFWSA-N 0 0 340.387 1.824 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CCNC(=O)c3ccco3)C2)no1 ZINC000171246916 442333531 /nfs/dbraw/zinc/33/35/31/442333531.db2.gz JSKCPKSUHJTRER-CYBMUJFWSA-N 0 0 346.387 1.572 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177389025 442335585 /nfs/dbraw/zinc/33/55/85/442335585.db2.gz DLGIVKCFWJTZFH-AWEZNQCLSA-N 0 0 330.432 1.388 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)CCCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000171351396 442342399 /nfs/dbraw/zinc/34/23/99/442342399.db2.gz WLWMOVJBQGCWON-ZDUSSCGKSA-N 0 0 347.419 1.194 10 0 EDAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cccc3c2OCCO3)cn1 ZINC000171431730 442348018 /nfs/dbraw/zinc/34/80/18/442348018.db2.gz QGCKGZKOOUJAHE-ZDUSSCGKSA-N 0 0 349.412 1.717 10 0 EDAERN C[C@H](CNC(=O)Nc1ccc2c(c1)CCCC(=O)N2)N1CCOCC1 ZINC000171528071 442354946 /nfs/dbraw/zinc/35/49/46/442354946.db2.gz WZUYWMZKNIAWII-CYBMUJFWSA-N 0 0 346.431 1.804 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccccc1CC)CC2 ZINC000177637609 442365445 /nfs/dbraw/zinc/36/54/45/442365445.db2.gz NHYQFMFPWAKUNL-CYBMUJFWSA-N 0 0 341.415 1.473 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2nc(SC)ncc2Cl)CC1 ZINC000171653655 442367014 /nfs/dbraw/zinc/36/70/14/442367014.db2.gz BCKFXQOVSCXXQG-SNVBAGLBSA-N 0 0 344.868 1.381 10 0 EDAERN COCc1cc(CNC(=O)NC[C@H]2CN(C)CCO2)ccc1F ZINC000171659779 442367413 /nfs/dbraw/zinc/36/74/13/442367413.db2.gz RPSZEXXCGSZFDY-AWEZNQCLSA-N 0 0 325.384 1.102 10 0 EDAERN O=C(CNC(=O)NC1CCCCC1)N1CCC[C@H](n2cncn2)C1 ZINC000171661648 442367503 /nfs/dbraw/zinc/36/75/03/442367503.db2.gz ACVNNLGTRBZOMW-AWEZNQCLSA-N 0 0 334.424 1.074 10 0 EDAERN Cc1cc(NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C)no1 ZINC000171665027 442368027 /nfs/dbraw/zinc/36/80/27/442368027.db2.gz SQLAABQUKJTMDB-OAHLLOKOSA-N 0 0 344.415 1.553 10 0 EDAERN COCCOCCS(=O)(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000155033189 442372180 /nfs/dbraw/zinc/37/21/80/442372180.db2.gz MYNVPSBNCAZYFY-ZDUSSCGKSA-N 0 0 348.490 1.624 10 0 EDAERN CC[C@H]1CN(C(=O)CSCc2cscn2)CCN1CCOC ZINC000131660605 442377547 /nfs/dbraw/zinc/37/75/47/442377547.db2.gz QMMMPHKYBAUVBK-AWEZNQCLSA-N 0 0 343.518 1.946 10 0 EDAERN CCOC(=O)CN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171801181 442382457 /nfs/dbraw/zinc/38/24/57/442382457.db2.gz GPDXPJUXUHVXGO-RHSMWYFYSA-N 0 0 332.400 1.618 10 0 EDAERN Cc1cccc(C)c1OC[C@H](C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171869377 442386237 /nfs/dbraw/zinc/38/62/37/442386237.db2.gz ONLKJNIZDGDUTO-LSDHHAIUSA-N 0 0 343.431 1.976 10 0 EDAERN CN(C)C(=O)Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171890044 442387169 /nfs/dbraw/zinc/38/71/69/442387169.db2.gz DHWGZIHKUFZHHT-INIZCTEOSA-N 0 0 330.432 1.629 10 0 EDAERN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171905046 442389517 /nfs/dbraw/zinc/38/95/17/442389517.db2.gz DWQNZKVPXBQZMF-GVDBMIGSSA-N 0 0 344.390 1.989 10 0 EDAERN CN(C)C(=O)CCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171991693 442396681 /nfs/dbraw/zinc/39/66/81/442396681.db2.gz FPYDMYAMFMSFNI-RHSMWYFYSA-N 0 0 331.416 1.191 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)CCO2)[nH]1 ZINC000154795349 442357184 /nfs/dbraw/zinc/35/71/84/442357184.db2.gz KCMQEZHTYQWVTO-YNEHKIRRSA-N 0 0 334.420 1.518 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCS[C@@H](C)C1 ZINC000171582272 442359204 /nfs/dbraw/zinc/35/92/04/442359204.db2.gz YSSOXGKYXZFWQE-QWRGUYRKSA-N 0 0 346.449 1.456 10 0 EDAERN O=C(CCc1ccc2c(c1)OCCO2)N[C@@H]1CCCn2ncnc21 ZINC000177588446 442360510 /nfs/dbraw/zinc/36/05/10/442360510.db2.gz PWQGNAJBSLUPMP-CYBMUJFWSA-N 0 0 328.372 1.633 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1CCCOC1)c1ccc(S(C)(=O)=O)cc1 ZINC000171593533 442360761 /nfs/dbraw/zinc/36/07/61/442360761.db2.gz NSUWSZCLFDBFCK-WCQYABFASA-N 0 0 326.418 1.629 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1CCCOC1)c1ccc(S(C)(=O)=O)cc1 ZINC000171593536 442360783 /nfs/dbraw/zinc/36/07/83/442360783.db2.gz NSUWSZCLFDBFCK-DGCLKSJQSA-N 0 0 326.418 1.629 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)C(C)(C)OC)CC1 ZINC000171605533 442361574 /nfs/dbraw/zinc/36/15/74/442361574.db2.gz OHJNNCSFPKPDIF-UHFFFAOYSA-N 0 0 342.871 1.705 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)C[C@@H]3CCCO3)CCCC2)no1 ZINC000177608836 442362484 /nfs/dbraw/zinc/36/24/84/442362484.db2.gz LEZNTCBMLSIJIB-NSHDSACASA-N 0 0 329.422 1.500 10 0 EDAERN COc1ccnc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000172221516 442425624 /nfs/dbraw/zinc/42/56/24/442425624.db2.gz QFIXJVGKZJMTHA-LLVKDONJSA-N 0 0 334.397 1.985 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)NC(C3CC3)C3CC3)CC2)n1 ZINC000172242495 442428337 /nfs/dbraw/zinc/42/83/37/442428337.db2.gz LTFHOMCSJFUBKW-UHFFFAOYSA-N 0 0 345.447 1.896 10 0 EDAERN CC(C)[C@@H](C)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000133679463 442429674 /nfs/dbraw/zinc/42/96/74/442429674.db2.gz MURVLSFWGCKKJO-GHMZBOCLSA-N 0 0 334.463 1.226 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCCCn1c(C)nc2ccccc21)C(C)C ZINC000178423567 442432391 /nfs/dbraw/zinc/43/23/91/442432391.db2.gz OVSFBBUKONWHIX-MRXNPFEDSA-N 0 0 345.447 1.805 10 0 EDAERN O=C(Nc1ccon1)C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000134596808 442498469 /nfs/dbraw/zinc/49/84/69/442498469.db2.gz NCNOFCGUBBOPDA-CABZTGNLSA-N 0 0 337.282 1.226 10 0 EDAERN CC(C)[C@@H](O)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172597439 442499430 /nfs/dbraw/zinc/49/94/30/442499430.db2.gz WOMJGBPJBBGOIL-RISCZKNCSA-N 0 0 328.434 1.467 10 0 EDAERN COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000178839586 442499963 /nfs/dbraw/zinc/49/99/63/442499963.db2.gz JGMPGEQHRFMBRT-GXFFZTMASA-N 0 0 326.418 1.765 10 0 EDAERN C[C@H]1CC[C@@H](NC(=O)NCC(=O)N2CCOCC2)c2ccccc21 ZINC000179776603 442502209 /nfs/dbraw/zinc/50/22/09/442502209.db2.gz YUAFUDBZYFKCKZ-XJKSGUPXSA-N 0 0 331.416 1.783 10 0 EDAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000179840255 442510582 /nfs/dbraw/zinc/51/05/82/442510582.db2.gz NCBFTOPIFDUDIA-JKSUJKDBSA-N 0 0 349.818 1.888 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)cn1 ZINC000191785624 442510767 /nfs/dbraw/zinc/51/07/67/442510767.db2.gz LVCSBWLZTXRVKU-CQSZACIVSA-N 0 0 347.419 1.942 10 0 EDAERN Cc1nc(COc2ccccc2C(=O)N2CCCNC(=O)[C@@H]2C)no1 ZINC000191765306 442507369 /nfs/dbraw/zinc/50/73/69/442507369.db2.gz AELWUALHPWZNCZ-NSHDSACASA-N 0 0 344.371 1.308 10 0 EDAERN Cc1ccc(C)n1-c1c(C(=O)N2CCCNC(=O)[C@H]2C)cnn1C ZINC000191769093 442507727 /nfs/dbraw/zinc/50/77/27/442507727.db2.gz ANJPGGUFRBWONF-CYBMUJFWSA-N 0 0 329.404 1.178 10 0 EDAERN COC(=O)C1CCC(C(=O)NC[C@H](C(C)C)N2CCOCC2)CC1 ZINC000179453473 442459250 /nfs/dbraw/zinc/45/92/50/442459250.db2.gz UWLOUWAQIIEAST-UYSNPLJNSA-N 0 0 340.464 1.439 10 0 EDAERN O=C(NC[C@@H](CCO)c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000172628894 442508888 /nfs/dbraw/zinc/50/88/88/442508888.db2.gz QJDGMHXUXWRRIF-HUUCEWRRSA-N 0 0 329.404 1.058 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)c3ccc(O)cc3O)CC2)nn1 ZINC000179494841 442466442 /nfs/dbraw/zinc/46/64/42/442466442.db2.gz CQLYOOWPTOSSDO-UHFFFAOYSA-N 0 0 328.372 1.549 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cccc3cnccc32)C1)C1CCC1 ZINC000186180222 442479569 /nfs/dbraw/zinc/47/95/69/442479569.db2.gz FJJWZIYVJHIJAP-UHFFFAOYSA-N 0 0 345.424 1.524 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000191650328 442483390 /nfs/dbraw/zinc/48/33/90/442483390.db2.gz ULSNMJQRPNYZPO-UAGQMJEPSA-N 0 0 345.443 1.172 10 0 EDAERN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750766 442534033 /nfs/dbraw/zinc/53/40/33/442534033.db2.gz RSKZHKFVXDWUQK-OAHLLOKOSA-N 0 0 344.390 1.763 10 0 EDAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000180063261 442535158 /nfs/dbraw/zinc/53/51/58/442535158.db2.gz YCQOKIBTDPXKSG-JKSUJKDBSA-N 0 0 338.835 1.697 10 0 EDAERN O=C(CCCOCCc1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172759917 442536643 /nfs/dbraw/zinc/53/66/43/442536643.db2.gz DHTDPOQTOIPCLC-LJQANCHMSA-N 0 0 346.471 1.959 10 0 EDAERN Cc1c(C(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1-c1ccccc1 ZINC000172762570 442536805 /nfs/dbraw/zinc/53/68/05/442536805.db2.gz ZLBUBTWMMUJULE-QGZVFWFLSA-N 0 0 340.427 1.727 10 0 EDAERN O=C(c1ccccc1OC(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760838 442537115 /nfs/dbraw/zinc/53/71/15/442537115.db2.gz JYRBENPYDOENIG-GFCCVEGCSA-N 0 0 326.343 1.835 10 0 EDAERN CC(C)[C@H](NC(=O)NCc1ccc(N2CCCCC2=O)cc1)C(N)=O ZINC000134929245 442537935 /nfs/dbraw/zinc/53/79/35/442537935.db2.gz LIUURMJXCBFCKN-INIZCTEOSA-N 0 0 346.431 1.513 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)CCCc2nc(C)no2)C12CCOCC2 ZINC000186452186 442537933 /nfs/dbraw/zinc/53/79/33/442537933.db2.gz YSKMOCBHGHSQPM-ZIAGYGMSSA-N 0 0 337.420 1.791 10 0 EDAERN Cc1nn(-c2ccccc2)cc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172768477 442538475 /nfs/dbraw/zinc/53/84/75/442538475.db2.gz BJEVTWJJBORSQQ-KRWDZBQOSA-N 0 0 340.427 1.727 10 0 EDAERN Cc1nccn1CCCCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000172766387 442538936 /nfs/dbraw/zinc/53/89/36/442538936.db2.gz AMZMONRDCRVCCV-HNNXBMFYSA-N 0 0 330.436 1.835 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3n[nH]c4c3CCCCC4)CCO2)[nH]1 ZINC000191913969 442539972 /nfs/dbraw/zinc/53/99/72/442539972.db2.gz PRDUQTHWFXRIEN-CYBMUJFWSA-N 0 0 330.392 1.319 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C12CCOCC2 ZINC000186463706 442540072 /nfs/dbraw/zinc/54/00/72/442540072.db2.gz RZTBCWUBEJKJNX-HUUCEWRRSA-N 0 0 344.415 1.970 10 0 EDAERN COC(=O)C1CCC(C(=O)Nc2ccccc2-n2cnnn2)CC1 ZINC000180159415 442549828 /nfs/dbraw/zinc/54/98/28/442549828.db2.gz CPZAWYRJYFNDNP-UHFFFAOYSA-N 0 0 329.360 1.580 10 0 EDAERN COc1ncccc1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172640955 442512936 /nfs/dbraw/zinc/51/29/36/442512936.db2.gz SRPYCNTZWSDHJK-LLVKDONJSA-N 0 0 330.392 1.942 10 0 EDAERN O=C(c1n[nH]c2c1CCCCC2)N1CCCN(c2cccnn2)CC1 ZINC000191800299 442513668 /nfs/dbraw/zinc/51/36/68/442513668.db2.gz HKIZTRABSAXKFS-UHFFFAOYSA-N 0 0 340.431 1.821 10 0 EDAERN COCCC1(CNC(=O)NC[C@H]2CN(C)CCO2)CCCCC1 ZINC000186337395 442515174 /nfs/dbraw/zinc/51/51/74/442515174.db2.gz IUAJBPYDIMWHIW-HNNXBMFYSA-N 0 0 327.469 1.603 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135247424 442571906 /nfs/dbraw/zinc/57/19/06/442571906.db2.gz BFDWQJGOYMAIGV-WBMJQRKESA-N 0 0 344.367 1.704 10 0 EDAERN CC[C@@](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)(C(N)=O)C(C)C ZINC000180282560 442573311 /nfs/dbraw/zinc/57/33/11/442573311.db2.gz VFFSRTIVSIVUNT-SJCJKPOMSA-N 0 0 334.420 1.603 10 0 EDAERN CC(C)c1noc(CCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000135268225 442574299 /nfs/dbraw/zinc/57/42/99/442574299.db2.gz GZQIUIIBFUUULM-CYBMUJFWSA-N 0 0 344.419 1.701 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1Cl ZINC000180349572 442585264 /nfs/dbraw/zinc/58/52/64/442585264.db2.gz ZBPREVIVAVATRC-CYBMUJFWSA-N 0 0 344.864 1.744 10 0 EDAERN C[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1nnc2n1CCCC2 ZINC000135422008 442594742 /nfs/dbraw/zinc/59/47/42/442594742.db2.gz DDILQIUFTCXUAC-NSHDSACASA-N 0 0 340.387 1.135 10 0 EDAERN COc1ccnc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)c1 ZINC000173068274 442598594 /nfs/dbraw/zinc/59/85/94/442598594.db2.gz ZCZDNNRBPQXREM-ZDUSSCGKSA-N 0 0 343.387 1.058 10 0 EDAERN CN1CCC(=O)Nc2cc(C(=O)N[C@H]3CCCC[C@@H]3CO)ccc21 ZINC000179222554 442600847 /nfs/dbraw/zinc/60/08/47/442600847.db2.gz BWKDVRJNUOCACF-KGLIPLIRSA-N 0 0 331.416 1.746 10 0 EDAERN COCCOc1ccc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000192140701 442601211 /nfs/dbraw/zinc/60/12/11/442601211.db2.gz CLKYXLQOSKUGKN-QGZVFWFLSA-N 0 0 348.443 1.187 10 0 EDAERN COC(=O)Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000135171164 442563893 /nfs/dbraw/zinc/56/38/93/442563893.db2.gz LEIRWEGUASBEOJ-BDAKNGLRSA-N 0 0 336.298 1.541 10 0 EDAERN Cc1c(F)cccc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180250035 442565647 /nfs/dbraw/zinc/56/56/47/442565647.db2.gz XVAZOQPDZZVHFA-LRDDRELGSA-N 0 0 349.406 1.252 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN[C@H](c1nccs1)c1ccccc1 ZINC000157998956 442635953 /nfs/dbraw/zinc/63/59/53/442635953.db2.gz TZCMLAXLLILJKQ-HOCLYGCPSA-N 0 0 331.441 1.805 10 0 EDAERN CCCc1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)n(C)n1 ZINC000180680474 442647373 /nfs/dbraw/zinc/64/73/73/442647373.db2.gz URGGTWYATBGQPC-LBPRGKRZSA-N 0 0 344.419 1.061 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C12CCOCC2 ZINC000187064498 442650478 /nfs/dbraw/zinc/65/04/78/442650478.db2.gz AIEFFQWDPQTFEQ-CVEARBPZSA-N 0 0 344.415 1.672 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC000192189907 442610555 /nfs/dbraw/zinc/61/05/55/442610555.db2.gz AYAPLNSMGYEUHF-GDBMZVCRSA-N 0 0 342.399 1.221 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2F)C[C@H]1C ZINC000180584951 442627753 /nfs/dbraw/zinc/62/77/53/442627753.db2.gz VOZNTCRSBIJNRM-CYBMUJFWSA-N 0 0 337.395 1.252 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C12CCOCC2 ZINC000187164586 442657646 /nfs/dbraw/zinc/65/76/46/442657646.db2.gz PJAKTXDMGQMBAA-KGLIPLIRSA-N 0 0 345.403 1.067 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1)C(C)C ZINC000181047686 442677945 /nfs/dbraw/zinc/67/79/45/442677945.db2.gz CXOASNBFWDPDNG-MLGOLLRUSA-N 0 0 336.432 1.769 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1ncn3nccc3c1=O)[C@H](C)C2 ZINC000181257997 442686638 /nfs/dbraw/zinc/68/66/38/442686638.db2.gz QNROHWHIFHKNNX-SJKOYZFVSA-N 0 0 337.383 1.249 10 0 EDAERN C[NH+](C)Cc1ccc(N2CCN(C(=O)Cc3cncs3)CC2)nc1 ZINC000187976124 442701173 /nfs/dbraw/zinc/70/11/73/442701173.db2.gz XKSVVUZSDOQXPU-UHFFFAOYSA-N 0 0 345.472 1.491 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1CCO)CC2 ZINC000187192110 442660037 /nfs/dbraw/zinc/66/00/37/442660037.db2.gz AYMFTZACKMGBOV-MGPQQGTHSA-N 0 0 335.452 1.567 10 0 EDAERN C[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1 ZINC000180805446 442660751 /nfs/dbraw/zinc/66/07/51/442660751.db2.gz OROMONNDHDCWGE-VIFPVBQESA-N 0 0 337.330 1.478 10 0 EDAERN O=C(NCCNC(=O)c1cccnc1)N[C@@H]1CCOc2ccccc21 ZINC000193023561 442706389 /nfs/dbraw/zinc/70/63/89/442706389.db2.gz YQABWHIHSCRGRS-OAHLLOKOSA-N 0 0 340.383 1.634 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)Nc3cccnn3)CC2)cn1 ZINC000180971971 442672261 /nfs/dbraw/zinc/67/22/61/442672261.db2.gz ZVDONIFSDSRLMQ-UHFFFAOYSA-N 0 0 343.435 1.823 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2CCCn3ncnc32)nc(C(F)(F)F)n1 ZINC000188490612 442756017 /nfs/dbraw/zinc/75/60/17/442756017.db2.gz PSDXDDVPLDNSLI-MRVPVSSYSA-N 0 0 326.282 1.660 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](COC)c2ccc(C)o2)CC1 ZINC000181886268 442720485 /nfs/dbraw/zinc/72/04/85/442720485.db2.gz GBKBEIDBUCNVPC-CABCVRRESA-N 0 0 339.436 1.374 10 0 EDAERN O=C(NC1CN(C(=O)c2ccccc2Cn2cncn2)C1)C1CCC1 ZINC000188490852 442756132 /nfs/dbraw/zinc/75/61/32/442756132.db2.gz LRIOBNMDQVQCNT-UHFFFAOYSA-N 0 0 339.399 1.067 10 0 EDAERN COCc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000193192215 442721766 /nfs/dbraw/zinc/72/17/66/442721766.db2.gz JFTVITCWHWMQEV-INIZCTEOSA-N 0 0 342.399 1.869 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000193287050 442729327 /nfs/dbraw/zinc/72/93/27/442729327.db2.gz PZAAVDPRPLXOBZ-CRAIPNDOSA-N 0 0 346.427 1.347 10 0 EDAERN CCO[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000193392662 442738332 /nfs/dbraw/zinc/73/83/32/442738332.db2.gz QKQOORQYQKGAPU-DOTOQJQBSA-N 0 0 335.448 1.784 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000193464274 442745458 /nfs/dbraw/zinc/74/54/58/442745458.db2.gz BHRLCXGMIFXOHR-LBPRGKRZSA-N 0 0 346.412 1.694 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000193475618 442746534 /nfs/dbraw/zinc/74/65/34/442746534.db2.gz HPWCSIBZIQURHA-CYBMUJFWSA-N 0 0 345.378 1.782 10 0 EDAERN COCCN1CCCN(C(=O)N[C@H]2CCCc3ccccc32)CC1=O ZINC000188425672 442749208 /nfs/dbraw/zinc/74/92/08/442749208.db2.gz SOYXRDLASKBQJS-KRWDZBQOSA-N 0 0 345.443 1.954 10 0 EDAERN COc1ccc(C(F)(F)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188471496 442753748 /nfs/dbraw/zinc/75/37/48/442753748.db2.gz MVCPPCBUYZCZTE-UHFFFAOYSA-N 0 0 338.354 1.914 10 0 EDAERN COCCOc1ccc(CN2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000188473072 442753917 /nfs/dbraw/zinc/75/39/17/442753917.db2.gz CXSXBNGJNUKBNS-INIZCTEOSA-N 0 0 333.388 1.977 10 0 EDAERN COc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c(C)c1F ZINC000181698376 442710961 /nfs/dbraw/zinc/71/09/61/442710961.db2.gz LMNDGJZOGPMVLZ-VXGBXAGGSA-N 0 0 331.409 1.972 10 0 EDAERN CSCC[C@@H](NC(=O)CCNC(N)=O)c1nc2ccccc2[nH]1 ZINC000193115329 442714692 /nfs/dbraw/zinc/71/46/92/442714692.db2.gz PRIYRWFZPCZWHB-GFCCVEGCSA-N 0 0 335.433 1.532 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000188694636 442789560 /nfs/dbraw/zinc/78/95/60/442789560.db2.gz BWBYTIROFFFTLC-CZUORRHYSA-N 0 0 337.395 1.591 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000188749236 442803760 /nfs/dbraw/zinc/80/37/60/442803760.db2.gz LHLWJQMGYZJAMC-HUUCEWRRSA-N 0 0 336.819 1.817 10 0 EDAERN COc1ccc(F)c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1OC ZINC000188516610 442758917 /nfs/dbraw/zinc/75/89/17/442758917.db2.gz OWMPVZYNDIMFOE-LLVKDONJSA-N 0 0 334.351 1.912 10 0 EDAERN Cc1cccc2nc(C3CCN(C(=O)[C@@H]4CNC(=O)C4)CC3)oc21 ZINC000188528615 442760250 /nfs/dbraw/zinc/76/02/50/442760250.db2.gz JNSQSTBYSKZDFH-ZDUSSCGKSA-N 0 0 327.384 1.978 10 0 EDAERN OC[C@@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1ccccc1 ZINC000246465054 442784110 /nfs/dbraw/zinc/78/41/10/442784110.db2.gz NNLMFWRCVLTONZ-CVEARBPZSA-N 0 0 328.416 1.626 10 0 EDAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1nnc2ccccn21 ZINC000188781174 442812037 /nfs/dbraw/zinc/81/20/37/442812037.db2.gz UDWOWMHXJUKTQD-LLVKDONJSA-N 0 0 342.403 1.100 10 0 EDAERN C[C@H](O)c1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188833362 442823995 /nfs/dbraw/zinc/82/39/95/442823995.db2.gz KQLNYUDQMNJSTE-LBPRGKRZSA-N 0 0 331.416 1.550 10 0 EDAERN O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000183052547 442870903 /nfs/dbraw/zinc/87/09/03/442870903.db2.gz SSCADXSQALPZJX-HZPDHXFCSA-N 0 0 342.399 1.751 10 0 EDAERN O[C@@]12CCCC[C@@H]1CN(Cc1cn(Cc3cccnc3)nn1)CC2 ZINC000183090173 442878323 /nfs/dbraw/zinc/87/83/23/442878323.db2.gz CCGNHGPWUKNQMB-SJLPKXTDSA-N 0 0 327.432 1.848 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000248444639 442891714 /nfs/dbraw/zinc/89/17/14/442891714.db2.gz BOYOYDDSWFTPLP-AAEUAGOBSA-N 0 0 326.824 1.963 10 0 EDAERN C[C@@H](NC(=O)NCC(=O)N1CCCc2ccccc21)[C@H]1CCCO1 ZINC000194428392 442895160 /nfs/dbraw/zinc/89/51/60/442895160.db2.gz JXFDOOWTEGTABM-CZUORRHYSA-N 0 0 331.416 1.833 10 0 EDAERN O=C(NC1CN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)C1)C1CC1 ZINC000189420885 442948428 /nfs/dbraw/zinc/94/84/28/442948428.db2.gz FTMJTCPPFOZUSU-UHFFFAOYSA-N 0 0 346.337 1.501 10 0 EDAERN O=C(NCc1cc[nH]n1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182391333 318504846 /nfs/dbraw/zinc/50/48/46/318504846.db2.gz KKKGXCYZVQRCJA-CYBMUJFWSA-N 0 0 329.408 1.774 10 0 EDAERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)c2c(n1)onc2C(C)C ZINC000194602348 442920772 /nfs/dbraw/zinc/92/07/72/442920772.db2.gz OUNYEBFXCHUTDV-GFCCVEGCSA-N 0 0 332.404 1.715 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCCn2ccnn2)[C@@H]1c1ccc(F)cc1 ZINC000182975364 318516213 /nfs/dbraw/zinc/51/62/13/318516213.db2.gz LDTSZKDDHBRTPI-ZBFHGGJFSA-N 0 0 345.378 1.143 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCCn2ccnn2)[C@H]1c1ccc(F)cc1 ZINC000182975345 318516466 /nfs/dbraw/zinc/51/64/66/318516466.db2.gz LDTSZKDDHBRTPI-GDBMZVCRSA-N 0 0 345.378 1.143 10 0 EDAERN CCCCN(C)S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000248786084 442925818 /nfs/dbraw/zinc/92/58/18/442925818.db2.gz YLAPJUPQQQVKDI-MCIONIFRSA-N 0 0 332.466 1.769 10 0 EDAERN O=C(Cc1ccc(Br)cc1)N1CC(NC(=O)C2CC2)C1 ZINC000189403394 442942521 /nfs/dbraw/zinc/94/25/21/442942521.db2.gz LSYBPLJREQTGDI-UHFFFAOYSA-N 0 0 337.217 1.729 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCOC1CCCC1 ZINC000194752988 442950187 /nfs/dbraw/zinc/95/01/87/442950187.db2.gz OLEUWVNOZBRSDW-AWEZNQCLSA-N 0 0 332.466 1.266 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000183747136 442958817 /nfs/dbraw/zinc/95/88/17/442958817.db2.gz CWDYLDIZDXNGGA-LBPRGKRZSA-N 0 0 343.792 1.794 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000189464042 442960610 /nfs/dbraw/zinc/96/06/10/442960610.db2.gz BLOWEHLKOQWAQI-QGZVFWFLSA-N 0 0 347.459 1.664 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000195131077 442987397 /nfs/dbraw/zinc/98/73/97/442987397.db2.gz IDAYJLTYYLVCJT-AWEZNQCLSA-N 0 0 337.464 1.940 10 0 EDAERN C[C@H](CCNC(=O)NCCCn1cccn1)NC(=O)OC(C)(C)C ZINC000195164404 442991498 /nfs/dbraw/zinc/99/14/98/442991498.db2.gz QYOXSBSMUVUAMN-CYBMUJFWSA-N 0 0 339.440 1.876 10 0 EDAERN COC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000195184086 442994224 /nfs/dbraw/zinc/99/42/24/442994224.db2.gz UTOHTDHVNYTOBD-AWEZNQCLSA-N 0 0 343.387 1.203 10 0 EDAERN CCNC(=O)C1CN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000184252236 443005505 /nfs/dbraw/zinc/00/55/05/443005505.db2.gz MUEWKPQOOYSGKC-ZDUSSCGKSA-N 0 0 343.349 1.938 10 0 EDAERN CCO[C@@H]1C[C@@](NCc2nnnn2C(C)C)(C(=O)OC)C1(C)C ZINC000189840304 443017854 /nfs/dbraw/zinc/01/78/54/443017854.db2.gz HEZAVAZMMCFAOW-IAQYHMDHSA-N 0 0 325.413 1.090 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@](C)(O)c1cccs1 ZINC000184465563 443024322 /nfs/dbraw/zinc/02/43/22/443024322.db2.gz GSDWLEDETIJORS-CJNGLKHVSA-N 0 0 326.462 1.573 10 0 EDAERN COCCCCS(=O)(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000184495553 443028775 /nfs/dbraw/zinc/02/87/75/443028775.db2.gz JYYJITAJDDSLJM-AWEZNQCLSA-N 0 0 329.466 1.930 10 0 EDAERN COC(=O)c1coc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000184524067 443033959 /nfs/dbraw/zinc/03/39/59/443033959.db2.gz JSRNNBCWBSXZSK-LLVKDONJSA-N 0 0 332.360 1.526 10 0 EDAERN Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)[C@@H]2CCO[C@H]2C)c(C)[nH]1 ZINC000252549636 443043152 /nfs/dbraw/zinc/04/31/52/443043152.db2.gz RLNZVEZXSHARIZ-RYQLBKOJSA-N 0 0 349.475 1.716 10 0 EDAERN O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1cccc(F)c1 ZINC000224203747 443097009 /nfs/dbraw/zinc/09/70/09/443097009.db2.gz UOMCFSAULVMTLQ-UHFFFAOYSA-N 0 0 336.392 1.694 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000184736201 443069591 /nfs/dbraw/zinc/06/95/91/443069591.db2.gz ZIVFCIVIQWOACC-KBPBESRZSA-N 0 0 345.447 1.722 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)[C@@H]3CCO[C@H]3C)CCCC2)no1 ZINC000190221106 443072624 /nfs/dbraw/zinc/07/26/24/443072624.db2.gz NZDXXWUFOHMPKX-WDEREUQCSA-N 0 0 329.422 1.498 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCCOc2ccccc2)CC1 ZINC000184759687 443072834 /nfs/dbraw/zinc/07/28/34/443072834.db2.gz TWIWNLSCOFAKPP-MRXNPFEDSA-N 0 0 335.448 1.554 10 0 EDAERN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3n[nH]nc3c1)C2 ZINC000222872593 443082436 /nfs/dbraw/zinc/08/24/36/443082436.db2.gz PJNNWBAUJZTRGT-OAHLLOKOSA-N 0 0 326.360 1.254 10 0 EDAERN CCOC(=O)[C@H](NC[C@@H]1CN(C)CCO1)c1cccc(Cl)c1 ZINC000190575513 443140624 /nfs/dbraw/zinc/14/06/24/443140624.db2.gz DDQSKGKZUKPLQS-HUUCEWRRSA-N 0 0 326.824 1.864 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCOc2ccccc2C)CC1 ZINC000184926258 443100285 /nfs/dbraw/zinc/10/02/85/443100285.db2.gz AQHCUKUWTYNSGR-INIZCTEOSA-N 0 0 335.448 1.472 10 0 EDAERN Cc1nccc(N2CCN(C(=O)N[C@@H]3COc4ccccc43)CC2)n1 ZINC000184967701 443108694 /nfs/dbraw/zinc/10/86/94/443108694.db2.gz IQLACZWPTRJQRV-OAHLLOKOSA-N 0 0 339.399 1.750 10 0 EDAERN O=c1oc2cccnc2n1CCN1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000225651663 443116476 /nfs/dbraw/zinc/11/64/76/443116476.db2.gz IEXHWOQBIGVQQZ-GJZGRUSLSA-N 0 0 343.358 1.937 10 0 EDAERN Cc1cc(CC(=O)N2CCC(N3CC(F)(F)C[C@H]3CO)CC2)on1 ZINC000257184180 443118887 /nfs/dbraw/zinc/11/88/87/443118887.db2.gz IIGGFSHHCKIBRK-ZDUSSCGKSA-N 0 0 343.374 1.218 10 0 EDAERN Cc1noc([C@H]2COCCN2Cc2cc(=O)n3cccc(C)c3n2)n1 ZINC000185069877 443129694 /nfs/dbraw/zinc/12/96/94/443129694.db2.gz ROGKBYVBADLKCS-CQSZACIVSA-N 0 0 341.371 1.268 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC000185226022 443164749 /nfs/dbraw/zinc/16/47/49/443164749.db2.gz HVUYRMWMPLWLFT-UHFFFAOYSA-N 0 0 349.387 1.536 10 0 EDAERN CCn1cc(CC(=O)N2CC(NC(=O)COC)C2)c2ccccc21 ZINC000185264396 443172823 /nfs/dbraw/zinc/17/28/23/443172823.db2.gz XMCMUATUSBBSLU-UHFFFAOYSA-N 0 0 329.400 1.177 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccccc2Br)C1 ZINC000185282534 443175920 /nfs/dbraw/zinc/17/59/20/443175920.db2.gz WEJKXKVNQUTEPU-UHFFFAOYSA-N 0 0 327.178 1.036 10 0 EDAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190757371 443177446 /nfs/dbraw/zinc/17/74/46/443177446.db2.gz GAFNRHDLXTURHF-CQSZACIVSA-N 0 0 330.363 1.960 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)NCc3ccnc(OC)c3)CCO2)cn1 ZINC000190793616 443185331 /nfs/dbraw/zinc/18/53/31/443185331.db2.gz IHBGSGRZLGDSHU-HNNXBMFYSA-N 0 0 345.403 1.590 10 0 EDAERN OC[C@H]1C[C@@H](O)CN1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000185174379 443153968 /nfs/dbraw/zinc/15/39/68/443153968.db2.gz XIFMNUOYYNSMKE-VXGBXAGGSA-N 0 0 335.429 1.604 10 0 EDAERN Cc1cc2cc(NC(=O)C(=O)N3CCCNC(=O)[C@H]3C)ccc2[nH]1 ZINC000190667833 443160432 /nfs/dbraw/zinc/16/04/32/443160432.db2.gz BQFURGRBNKMZRJ-LLVKDONJSA-N 0 0 328.372 1.152 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCc2cscn2)C12CCOCC2 ZINC000185641009 443231824 /nfs/dbraw/zinc/23/18/24/443231824.db2.gz YIZQGZFLNGFKBT-OLZOCXBDSA-N 0 0 325.434 1.917 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)NCC2(CO)CCCC2)C12CCOCC2 ZINC000185668533 443235536 /nfs/dbraw/zinc/23/55/36/443235536.db2.gz CQOHMJRUUYOKAN-CABCVRRESA-N 0 0 340.464 1.813 10 0 EDAERN CN1CCO[C@H](CNC(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000185788891 443257745 /nfs/dbraw/zinc/25/77/45/443257745.db2.gz DLDUVQOQUJYCSV-CQSZACIVSA-N 0 0 330.363 1.343 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](CO)c2ccccc2)C12CCOCC2 ZINC000185954543 443290103 /nfs/dbraw/zinc/29/01/03/443290103.db2.gz YCSPXMIXIFCHRF-YESZJQIVSA-N 0 0 348.443 1.993 10 0 EDAERN CCc1onc(C)c1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000185846857 443269054 /nfs/dbraw/zinc/26/90/54/443269054.db2.gz YPGYINANVMVQTH-UHFFFAOYSA-N 0 0 333.392 1.585 10 0 EDAERN Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CC[C@H]3CCCO3)C2)cn1 ZINC000328629874 444402791 /nfs/dbraw/zinc/40/27/91/444402791.db2.gz PGKZEYQQRYCRBI-GDBMZVCRSA-N 0 0 340.445 1.742 10 0 EDAERN CCc1nnc2n1CCN(C1CN(c3ccnc(C4CC4)n3)C1)C2 ZINC000328631967 444404823 /nfs/dbraw/zinc/40/48/23/444404823.db2.gz LAZBDQYGBHPFHQ-UHFFFAOYSA-N 0 0 325.420 1.212 10 0 EDAERN COc1ccc(Br)cc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000392886022 447528199 /nfs/dbraw/zinc/52/81/99/447528199.db2.gz BFPMRURQHJIPNP-LDYMZIIASA-N 0 0 341.205 1.855 10 0 EDAERN O=C(CCc1cc(F)ccc1F)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617701 448444497 /nfs/dbraw/zinc/44/44/97/448444497.db2.gz GQAJCKWEBTWMTB-MRXNPFEDSA-N 0 0 336.342 1.526 10 0 EDAERN Cc1nc2c(cnn2C)c(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000583618030 448446918 /nfs/dbraw/zinc/44/69/18/448446918.db2.gz WEMXHVITFZFOHH-HIFRSBDPSA-N 0 0 337.387 1.451 10 0 EDAERN CC(C)n1cc([C@]2(O)CCN(Cc3nc(C4CCCC4)no3)C2)nn1 ZINC000583618314 448447620 /nfs/dbraw/zinc/44/76/20/448447620.db2.gz NOUWAOXZILZFOV-KRWDZBQOSA-N 0 0 346.435 1.993 10 0 EDAERN Cn1cnc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)N(C)C3)cnc21 ZINC000583620057 448450475 /nfs/dbraw/zinc/45/04/75/448450475.db2.gz QBCZFBPBJJUXSG-PWSUYJOCSA-N 0 0 341.337 1.723 10 0 EDAERN O=C(CC1(O)CCCC1)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000583622000 448453588 /nfs/dbraw/zinc/45/35/88/448453588.db2.gz MIMAOKUHKKFWES-KBPBESRZSA-N 0 0 336.411 1.200 10 0 EDAERN NC(=O)[C@]1(O)CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC000528501055 448557841 /nfs/dbraw/zinc/55/78/41/448557841.db2.gz CRXXREBCVXNZOF-ZDUSSCGKSA-N 0 0 349.175 1.540 10 0 EDAERN C[C@@H]1C[C@@H](O)CN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)C1 ZINC000616146385 450334430 /nfs/dbraw/zinc/33/44/30/450334430.db2.gz NGMDDQBRLUVUSL-BMFZPTHFSA-N 0 0 331.416 1.372 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)N2CCCCCO2)[C@H]1c1cnn(C)c1C ZINC000613881507 450348353 /nfs/dbraw/zinc/34/83/53/450348353.db2.gz VHYMEVIQEGHADT-BBRMVZONSA-N 0 0 334.420 1.582 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H]1c1cccc(CCO)c1 ZINC000616600894 450454481 /nfs/dbraw/zinc/45/44/81/450454481.db2.gz JTVQFYZHBZAYLO-GOSISDBHSA-N 0 0 347.436 1.984 10 0 EDAERN CC(C)(C)OC(=O)NC[C@H]1CN(S(C)(=O)=O)c2ccccc2N1 ZINC000616692898 450461118 /nfs/dbraw/zinc/46/11/18/450461118.db2.gz WAWXEGJELYOHFK-NSHDSACASA-N 0 0 341.433 1.771 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1nscc1Br ZINC000633916859 451092300 /nfs/dbraw/zinc/09/23/00/451092300.db2.gz FYYJESMDMSARAN-MRVPVSSYSA-N 0 0 334.239 1.308 10 0 EDAERN Cc1oc(Br)cc1C(=O)N(C)C[C@@H]1CN(C)CCO1 ZINC000633918387 451094875 /nfs/dbraw/zinc/09/48/75/451094875.db2.gz NIVGZPFVNIWUDA-JTQLQIEISA-N 0 0 331.210 1.753 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1cc(Br)ccc1F ZINC000633927641 451109719 /nfs/dbraw/zinc/10/97/19/451109719.db2.gz HFTURGTWOGQQBI-NSHDSACASA-N 0 0 345.212 1.991 10 0 EDAERN O=C([O-])[C@H]1CC[C@@H](C(=O)N(CCc2cccc(F)c2)C2CC2)C[NH2+]1 ZINC000630684533 451339133 /nfs/dbraw/zinc/33/91/33/451339133.db2.gz LOIXPTVELLPVSR-CZUORRHYSA-N 0 0 334.391 1.812 10 0 EDAERN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000643879163 452784080 /nfs/dbraw/zinc/78/40/80/452784080.db2.gz LLQGNZOUVGBQBW-GOSISDBHSA-N 0 0 346.383 1.238 10 0 EDAERN COC[C@]1(C(=O)[O-])CCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000643879164 452784871 /nfs/dbraw/zinc/78/48/71/452784871.db2.gz LLQGNZOUVGBQBW-SFHVURJKSA-N 0 0 346.383 1.238 10 0 EDAERN CN(C)c1ccc([C@H]2CCCN2C(=O)Cc2ncccc2F)nn1 ZINC000643907249 452807237 /nfs/dbraw/zinc/80/72/37/452807237.db2.gz ZUHBZLFQHKMFPQ-OAHLLOKOSA-N 0 0 329.379 1.983 10 0 EDAERN Cc1c(NC(=O)CN2CCCC[C@@H](O)C2=O)cnn1-c1ccccc1 ZINC000644404546 453416010 /nfs/dbraw/zinc/41/60/10/453416010.db2.gz ZLSLTXVGPSFTEJ-MRXNPFEDSA-N 0 0 342.399 1.493 10 0 EDAERN Cn1cccc1S(=O)(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000657201515 453732496 /nfs/dbraw/zinc/73/24/96/453732496.db2.gz VSJLKCIZCZTXMB-SWLSCSKDSA-N 0 0 338.433 1.205 10 0 EDAERN CN1C[C@H](CNS(=O)(=O)c2ccccc2Br)CC1=O ZINC000681821011 487182701 /nfs/dbraw/zinc/18/27/01/487182701.db2.gz NCLKDQGMYZZUKL-VIFPVBQESA-N 0 0 347.234 1.206 10 0 EDAERN CCOC[C@@H]1CN(c2ncnc(N)c2Cl)C[C@H]1c1cnn(C)c1 ZINC000585655505 486042549 /nfs/dbraw/zinc/04/25/49/486042549.db2.gz XEGMCJSPIWJVTQ-RYUDHWBXSA-N 0 0 336.827 1.702 10 0 EDAERN O=C(CC/C=C\c1ccccc1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671502138 486629651 /nfs/dbraw/zinc/62/96/51/486629651.db2.gz AOJVPJVLADJIRV-MPYGFJLXSA-N 0 0 326.400 1.735 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)COC2 ZINC000092047359 491201426 /nfs/dbraw/zinc/20/14/26/491201426.db2.gz WUVDEMPVGVLRBW-HNNXBMFYSA-N 0 0 338.429 1.860 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000136582379 491231406 /nfs/dbraw/zinc/23/14/06/491231406.db2.gz HCBUMFWNXGRDDF-TZMCWYRMSA-N 0 0 347.415 1.305 10 0 EDAERN COC1(CNC(=O)N2CCC(c3ccnn3C)CC2)CCOCC1 ZINC000126448050 491014838 /nfs/dbraw/zinc/01/48/38/491014838.db2.gz KXCIZZYFJJHMBO-UHFFFAOYSA-N 0 0 336.436 1.505 10 0 EDAERN CN(C[C@@H]1CCOC1)C(=O)NCCN1CCc2ccccc2C1=O ZINC000188681827 523074384 /nfs/dbraw/zinc/07/43/84/523074384.db2.gz ILSNBSMDSKVOEJ-AWEZNQCLSA-N 0 0 331.416 1.363 10 0 EDAERN CN(C[C@H]1CCOC1)C(=O)NCCN1CCc2ccccc2C1=O ZINC000188681850 523138437 /nfs/dbraw/zinc/13/84/37/523138437.db2.gz ILSNBSMDSKVOEJ-CQSZACIVSA-N 0 0 331.416 1.363 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000190463040 526706897 /nfs/dbraw/zinc/70/68/97/526706897.db2.gz JTQHUJLEOREAMR-UHFFFAOYSA-N 0 0 329.169 1.478 10 0 EDAERN CC(=O)NC1CN(C(=O)NCc2cccnc2OCC(F)(F)F)C1 ZINC000189799105 526709249 /nfs/dbraw/zinc/70/92/49/526709249.db2.gz CJGFDZMARDXZOK-UHFFFAOYSA-N 0 0 346.309 1.053 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC000190130240 526711684 /nfs/dbraw/zinc/71/16/84/526711684.db2.gz NJPZYUQTBFBBPA-AWEZNQCLSA-N 0 0 334.395 1.324 10 0 EDAERN CC(=O)NCCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000173926105 526739425 /nfs/dbraw/zinc/73/94/25/526739425.db2.gz KZSBIMJHCZMBSQ-SJORKVTESA-N 0 0 333.432 1.810 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nccn(C)c2=O)C12CCCC2 ZINC000183856497 527795929 /nfs/dbraw/zinc/79/59/29/527795929.db2.gz VORQNZBTYPGSPA-CHWSQXEVSA-N 0 0 334.420 1.982 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173856768 528000694 /nfs/dbraw/zinc/00/06/94/528000694.db2.gz MPKMUCQDCKBQLW-JKSUJKDBSA-N 0 0 339.480 1.204 10 0 EDAERN CCC[C@H](NC(=O)Cc1nc2ncccn2n1)C(=O)OC(C)(C)C ZINC000183635944 528181448 /nfs/dbraw/zinc/18/14/48/528181448.db2.gz LQKADCXQQSAMAC-NSHDSACASA-N 0 0 333.392 1.293 10 0 EDAERN CCC[C@H]1NC(=O)[C@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168883829 528439847 /nfs/dbraw/zinc/43/98/47/528439847.db2.gz VCYBHPWFSVFLJM-JOYOIKCWSA-N 0 0 340.221 1.860 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000184248515 528479626 /nfs/dbraw/zinc/47/96/26/528479626.db2.gz XLRXWTMNLPKVKR-MRXNPFEDSA-N 0 0 343.431 1.922 10 0 EDAERN CCOCCN(C)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000179515312 528708483 /nfs/dbraw/zinc/70/84/83/528708483.db2.gz IXOXQCMWIKDWPQ-ZDUSSCGKSA-N 0 0 336.440 1.165 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188012078 529177211 /nfs/dbraw/zinc/17/72/11/529177211.db2.gz HJKHHTVMXNBCHF-UHFFFAOYSA-N 0 0 329.400 1.315 10 0 EDAERN CC[C@@H]1C(=O)N[C@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168875434 529266200 /nfs/dbraw/zinc/26/62/00/529266200.db2.gz NUBOHSZNRMQKKM-LDYMZIIASA-N 0 0 326.194 1.470 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246525545 534920684 /nfs/dbraw/zinc/92/06/84/534920684.db2.gz RPDJQEJFVVMBLH-RDTXWAMCSA-N 0 0 345.443 1.480 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(CCOC)CC(C)C ZINC000077616514 535297416 /nfs/dbraw/zinc/29/74/16/535297416.db2.gz PSCFUXAEODHLEX-AWEZNQCLSA-N 0 0 334.482 1.322 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)C(=O)c2cnn(CC)c2)C12CCOCC2 ZINC000187147275 535394844 /nfs/dbraw/zinc/39/48/44/535394844.db2.gz JYVNVZHPTORUIQ-ZIAGYGMSSA-N 0 0 335.404 1.176 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2sccc2C)C[C@H]1C ZINC000247189485 535603014 /nfs/dbraw/zinc/60/30/14/535603014.db2.gz NZCUDJNUGHCMRL-OAHLLOKOSA-N 0 0 339.505 1.715 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1C ZINC000246920594 535605992 /nfs/dbraw/zinc/60/59/92/535605992.db2.gz BGMBEJSXLKYARY-CYBMUJFWSA-N 0 0 330.425 1.557 10 0 EDAERN CCc1noc(CC)c1CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000133016481 535893244 /nfs/dbraw/zinc/89/32/44/535893244.db2.gz UQDXIRPZOFWAKG-AWEZNQCLSA-N 0 0 348.407 1.509 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173690843 535894485 /nfs/dbraw/zinc/89/44/85/535894485.db2.gz SFDKVBCAQZYJEE-HNNXBMFYSA-N 0 0 327.388 1.643 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000249191359 535972468 /nfs/dbraw/zinc/97/24/68/535972468.db2.gz ABWSUKSNVLQSOX-HOCLYGCPSA-N 0 0 338.473 1.590 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1nc[nH]n1 ZINC000246245045 535972430 /nfs/dbraw/zinc/97/24/30/535972430.db2.gz SFLGENPKSHJUQB-SCRDCRAPSA-N 0 0 329.404 1.827 10 0 EDAERN CN(C(=O)[C@H]1Cc2ccccc2O1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246188739 536066895 /nfs/dbraw/zinc/06/68/95/536066895.db2.gz SUMDBGYMOFHPOQ-NVXWUHKLSA-N 0 0 338.411 1.908 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)CC2 ZINC000114977437 536163781 /nfs/dbraw/zinc/16/37/81/536163781.db2.gz CMNNSBCDJYMZAD-KGLIPLIRSA-N 0 0 347.394 1.327 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1)CC2 ZINC000152446989 536163981 /nfs/dbraw/zinc/16/39/81/536163981.db2.gz VSKVQBDEQGIODM-CMPLNLGQSA-N 0 0 331.424 1.117 10 0 EDAERN CN1C(=O)CN(CC(=O)N2CCC[C@H](C(N)=O)C2)[C@@H]1c1ccccc1 ZINC000328721926 536312662 /nfs/dbraw/zinc/31/26/62/536312662.db2.gz XEGHWUPHJAIHFR-KBXCAEBGSA-N 0 0 344.415 1.233 10 0 EDAERN COCCN1CCN(CC(=O)NCc2ccc(C)c(F)c2)C[C@@H]1C ZINC000247373078 536872753 /nfs/dbraw/zinc/87/27/53/536872753.db2.gz UYKUSZCPBVIXLJ-HNNXBMFYSA-N 0 0 337.439 1.403 10 0 EDAERN COc1cccc2c1OC[C@H](NC(=O)NC[C@H]1CCCC[C@H]1O)C2 ZINC000247154509 536964106 /nfs/dbraw/zinc/96/41/06/536964106.db2.gz KHQFTYLHPAFHAM-RBSFLKMASA-N 0 0 334.416 1.849 10 0 EDAERN CCn1c(CN2CCC[C@@](O)(c3cn[nH]n3)C2)nc2cc(F)ccc21 ZINC000794054695 580869795 /nfs/dbraw/zinc/86/97/95/580869795.db2.gz OJOZNMGIDTZFKG-KRWDZBQOSA-N 0 0 344.394 1.797 10 0 EDAERN Cn1ccnc1[C@H]1[C@H](CNC(=O)COC2CCCCC2)CC(=O)N1C ZINC000794505986 580895232 /nfs/dbraw/zinc/89/52/32/580895232.db2.gz DRDMHOGOWJDIGG-SUMWQHHRSA-N 0 0 348.447 1.405 10 0 EDAERN CO[C@H]1CCCCN(CC(=O)Nc2cnn(C)c2C(F)(F)F)C1=O ZINC000888076273 590930371 /nfs/dbraw/zinc/93/03/71/590930371.db2.gz SDOPLSQPPGJRAQ-JTQLQIEISA-N 0 0 348.325 1.405 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)N2CCc3ccccc32)C1 ZINC000888077852 590934141 /nfs/dbraw/zinc/93/41/41/590934141.db2.gz ZDNSEPLAQRROQH-GDBMZVCRSA-N 0 0 326.400 1.761 10 0 EDAERN Cc1coc(C)c1C(=O)NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000888102794 591030628 /nfs/dbraw/zinc/03/06/28/591030628.db2.gz NBWCUXVLSBENID-DYVFJYSZSA-N 0 0 344.415 1.969 10 0 EDAERN CCN1CCO[C@@H](CNc2nc(C)cc(C)n2)[C@@H]1c1cncn1C ZINC000888102945 591031288 /nfs/dbraw/zinc/03/12/88/591031288.db2.gz WIICTZRZWTVSRD-HOTGVXAUSA-N 0 0 330.436 1.701 10 0 EDAERN C[C@@H]1CN(CC2CC(NC(=O)OC(C)(C)C)C2)CCS(=O)(=O)C1 ZINC000894043859 591176467 /nfs/dbraw/zinc/17/64/67/591176467.db2.gz TVTRBHJLGFTTER-IYXRBSQSSA-N 0 0 346.493 1.656 10 0 EDAERN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCn2c(nnc2C2CC2)C1 ZINC000896309568 591416282 /nfs/dbraw/zinc/41/62/82/591416282.db2.gz ZMGRJUWZFXBNTK-AWEZNQCLSA-N 0 0 337.383 1.373 10 0 EDAERN COc1ccc(-n2cnn(CN3C[C@@H](C)O[C@H](C)C3)c2=S)cn1 ZINC000103457452 593302467 /nfs/dbraw/zinc/30/24/67/593302467.db2.gz JWOLBAIWOQJGMJ-VXGBXAGGSA-N 0 0 335.433 1.874 10 0 EDAERN CNC(=O)c1nc(C2CCN(C(=O)[C@H]3Cc4ccccc43)CC2)n[nH]1 ZINC000818478305 593699304 /nfs/dbraw/zinc/69/93/04/593699304.db2.gz DAFZZUFYDQHBEQ-AWEZNQCLSA-N 0 0 339.399 1.210 10 0 EDAERN Cc1[nH]ccc1C(=O)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818497289 593701459 /nfs/dbraw/zinc/70/14/59/593701459.db2.gz VPCFWYDWDLCOBJ-KRWDZBQOSA-N 0 0 330.388 1.793 10 0 EDAERN Cc1nccn1CC(=O)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818499082 593701549 /nfs/dbraw/zinc/70/15/49/593701549.db2.gz IIRMEMARVLSEDH-KRWDZBQOSA-N 0 0 345.403 1.048 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(CN2c3ccccc3C(=O)C2=O)C1 ZINC000101539027 595166538 /nfs/dbraw/zinc/16/65/38/595166538.db2.gz AXTGHVPARMIJOF-CYBMUJFWSA-N 0 0 329.400 1.554 10 0 EDAERN CCCS(=O)(=O)CCN1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865432 595481424 /nfs/dbraw/zinc/48/14/24/595481424.db2.gz VFHQZTRCUSWRQA-CYBMUJFWSA-N 0 0 344.481 1.135 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NC1CCCCCCC1 ZINC000105888918 595494607 /nfs/dbraw/zinc/49/46/07/595494607.db2.gz KPDHUWCAYWOOAF-QGZVFWFLSA-N 0 0 334.464 1.813 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C(C)C)cc2)C[C@H]1C ZINC000117522525 595703237 /nfs/dbraw/zinc/70/32/37/595703237.db2.gz RYZDQMRRHFCTDS-OAHLLOKOSA-N 0 0 347.459 1.928 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)C2Cc3ccccc3C2)cn1 ZINC000862923098 596450749 /nfs/dbraw/zinc/45/07/49/596450749.db2.gz SEPOXFMLVAHLQR-DLBZAZTESA-N 0 0 327.384 1.098 10 0 EDAERN CN(Cc1ccc(Cl)s1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126570377 597532656 /nfs/dbraw/zinc/53/26/56/597532656.db2.gz OIXQTHRUSJXPIJ-VIFPVBQESA-N 0 0 336.866 1.137 10 0 EDAERN COC(=O)[C@@H]1CCCN(CN2C(=O)OC[C@@H]2Cc2ccccc2)C1 ZINC000131185563 597681394 /nfs/dbraw/zinc/68/13/94/597681394.db2.gz RHMHJTWDGVHEJT-CVEARBPZSA-N 0 0 332.400 1.892 10 0 EDAERN COC(=O)[C@H]1CN(c2ncc(I)cn2)C[C@H]1C ZINC000128042991 597739653 /nfs/dbraw/zinc/73/96/53/597739653.db2.gz ZUMYUPJYKFPAGU-APPZFPTMSA-N 0 0 347.156 1.327 10 0 EDAERN CC[C@H]1CN(CN2C(=O)C(=O)c3cccc(F)c32)CCN1CCOC ZINC000132629060 597871470 /nfs/dbraw/zinc/87/14/70/597871470.db2.gz ZDXNAOYAZYLAGD-ZDUSSCGKSA-N 0 0 349.406 1.355 10 0 EDAERN O=C(NNc1ccccn1)[C@@H]1CCC[C@H]1C(=O)NNc1ccccn1 ZINC000181911074 700148981 /nfs/dbraw/zinc/14/89/81/700148981.db2.gz ZLOOXEQELQUUAW-CHWSQXEVSA-N 0 0 340.387 1.479 10 0 EDAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175248806 697706862 /nfs/dbraw/zinc/70/68/62/697706862.db2.gz RJPHBLVQSBGGFH-VXGBXAGGSA-N 0 0 333.388 1.389 10 0 EDAERN Cc1cnc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)o1 ZINC000181287830 699383304 /nfs/dbraw/zinc/38/33/04/699383304.db2.gz XBHORGWOIMAYIE-SNVBAGLBSA-N 0 0 342.348 1.532 10 0 EDAERN Cn1ccc(CC(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000181556386 699774817 /nfs/dbraw/zinc/77/48/17/699774817.db2.gz IYEBYBLMPBJRKS-JSGCOSHPSA-N 0 0 336.436 1.772 10 0 EDAERN O[C@H](CN1CCN(CCO[C@H]2CCCCO2)CC1)c1ccccc1 ZINC000181687267 699952291 /nfs/dbraw/zinc/95/22/91/699952291.db2.gz KKNXOFOFWBOTEN-MOPGFXCFSA-N 0 0 334.460 1.881 10 0 EDAERN C[NH2+][C@]1(C(=O)[O-])CC[C@@H](n2cc(I)cn2)C1 ZINC000086627158 707548834 /nfs/dbraw/zinc/54/88/34/707548834.db2.gz BGUQQFWRMDDZKH-PSASIEDQSA-N 0 0 335.145 1.256 10 0 EDAERN S=c1n(CN2CC[C@H](N3CCOCC3)C2)nc2n1CCCCC2 ZINC000172959713 709110709 /nfs/dbraw/zinc/11/07/09/709110709.db2.gz SVFSQZQYCNZCDL-AWEZNQCLSA-N 0 0 337.493 1.504 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1)[C@H]1CCCO1 ZINC000186677083 712133148 /nfs/dbraw/zinc/13/31/48/712133148.db2.gz GBSOJDOCRJGODU-RKDXNWHRSA-N 0 0 331.294 1.723 10 0 EDAERN CC(C)Oc1cncc(N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1 ZINC000125746620 222602845 /nfs/dbraw/zinc/60/28/45/222602845.db2.gz SCJDWDFZONYFGX-GFCCVEGCSA-N 0 0 330.392 1.605 10 0 EDAERN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173795986 231036670 /nfs/dbraw/zinc/03/66/70/231036670.db2.gz ZFOCVOAIYAGGSU-YESZJQIVSA-N 0 0 333.407 1.798 10 0 EDAERN Cc1cc(C)c(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(C)c1 ZINC000173994065 231093204 /nfs/dbraw/zinc/09/32/04/231093204.db2.gz FCZYGWNSJNJWOW-KRWDZBQOSA-N 0 0 331.460 1.957 10 0 EDAERN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173999394 231095616 /nfs/dbraw/zinc/09/56/16/231095616.db2.gz FXUFGXFDSQAHSY-ZDUSSCGKSA-N 0 0 330.837 1.435 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)C[C@@H]1N1CCOCC1 ZINC000173966605 231084019 /nfs/dbraw/zinc/08/40/19/231084019.db2.gz ZVIHAAGJVNPTPZ-QAPCUYQASA-N 0 0 340.427 1.665 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000177180894 282212953 /nfs/dbraw/zinc/21/29/53/282212953.db2.gz FBLHPMRDCRKQQW-WBVHZDCISA-N 0 0 344.459 1.974 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](c3cc[nH]n3)C1)CC2 ZINC000172040623 529750872 /nfs/dbraw/zinc/75/08/72/529750872.db2.gz XEMMXEVKUKJTBT-STQMWFEESA-N 0 0 343.435 1.468 10 0 EDAERN Cc1ccc(NS(=O)(=O)C[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000062065259 214696343 /nfs/dbraw/zinc/69/63/43/214696343.db2.gz HWHKELDUOMCBBV-ZDUSSCGKSA-N 0 0 326.418 1.232 10 0 EDAERN O=C1CCCN1c1ccc(S(=O)(=O)NC2=NCCS2)cc1 ZINC000012198459 201832486 /nfs/dbraw/zinc/83/24/86/201832486.db2.gz GIZRIHQIUCHURV-UHFFFAOYSA-N 0 0 325.415 1.195 10 0 EDAERN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)N2CCCc3ccc(F)cc32)C1 ZINC000246443553 539624851 /nfs/dbraw/zinc/62/48/51/539624851.db2.gz OBNSXSKYLDDYQG-XJKSGUPXSA-N 0 0 347.434 1.950 10 0 EDAERN CC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OCc1ccccc1 ZINC000669380994 539742146 /nfs/dbraw/zinc/74/21/46/539742146.db2.gz VHVYEHSFGPPDLO-HNNXBMFYSA-N 0 0 348.399 1.921 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000151935469 539780150 /nfs/dbraw/zinc/78/01/50/539780150.db2.gz HLAOUZMKFDGCNL-XHSDSOJGSA-N 0 0 337.464 1.628 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCOc1ccc(F)cc1F ZINC000158227207 539991992 /nfs/dbraw/zinc/99/19/92/539991992.db2.gz CZPITOWDOYFPKT-GFCCVEGCSA-N 0 0 327.331 1.264 10 0 EDAERN CCN1CCO[C@@H](CNCc2c(Br)c(C)nn2C)C1 ZINC000165968443 540074751 /nfs/dbraw/zinc/07/47/51/540074751.db2.gz LJSPBPSYJURNFH-NSHDSACASA-N 0 0 331.258 1.301 10 0 EDAERN CCN1CCO[C@H](CNCc2c(Br)c(C)nn2C)C1 ZINC000165968328 540074953 /nfs/dbraw/zinc/07/49/53/540074953.db2.gz LJSPBPSYJURNFH-LLVKDONJSA-N 0 0 331.258 1.301 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCC(=O)NCC1CC1)C(C)C ZINC000183511605 235118320 /nfs/dbraw/zinc/11/83/20/235118320.db2.gz RAKLCSJVTORVNV-KRWDZBQOSA-N 0 0 345.443 1.392 10 0 EDAERN Nc1nc(Br)n(Cc2ncc(Br)s2)n1 ZINC000713629275 540118583 /nfs/dbraw/zinc/11/85/83/540118583.db2.gz BCZWGBFYUCGGTR-UHFFFAOYSA-N 0 0 339.016 1.890 10 0 EDAERN Cc1ccc([C@H](C)NCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1F ZINC000181365929 540126680 /nfs/dbraw/zinc/12/66/80/540126680.db2.gz QWIZDAYPHDPTGR-JTQLQIEISA-N 0 0 345.378 1.259 10 0 EDAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC(C)(C)C1 ZINC000183248731 540137200 /nfs/dbraw/zinc/13/72/00/540137200.db2.gz FHNOQAAAJHSVRT-RDBSUJKOSA-N 0 0 330.494 1.989 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2cnn(C)c2N)N2CCOCC2)s1 ZINC000185228055 540147673 /nfs/dbraw/zinc/14/76/73/540147673.db2.gz YHBIGZIZWUAGTA-ZDUSSCGKSA-N 0 0 349.460 1.176 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000186082106 540150627 /nfs/dbraw/zinc/15/06/27/540150627.db2.gz GMXLWQVIMOWOKJ-ZWKOTPCHSA-N 0 0 332.444 1.303 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000191045773 540173510 /nfs/dbraw/zinc/17/35/10/540173510.db2.gz OCJSUCKDWSEMAS-UONOGXRCSA-N 0 0 349.435 1.434 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)Nc1ccc(N2CCOCC2)cn1 ZINC000194868912 540186972 /nfs/dbraw/zinc/18/69/72/540186972.db2.gz ICJWSPOYNIAIRQ-UKRRQHHQSA-N 0 0 334.420 1.591 10 0 EDAERN COC(=O)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020113796 202032604 /nfs/dbraw/zinc/03/26/04/202032604.db2.gz PBUXLWMVSFWIFQ-UHFFFAOYSA-N 0 0 340.401 1.363 10 0 EDAERN O=C1NC[C@H](CN2C(=O)C(=O)c3c2cccc3Br)O1 ZINC000020254172 202037191 /nfs/dbraw/zinc/03/71/91/202037191.db2.gz WISMLFWYKQOEFW-ZCFIWIBFSA-N 0 0 325.118 1.087 10 0 EDAERN CNC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109842 202062360 /nfs/dbraw/zinc/06/23/60/202062360.db2.gz YDFIMXKWQWKQGF-DEOSSOPVSA-N 0 0 342.424 1.658 10 0 EDAERN CN(CC(F)(F)F)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005357 202081574 /nfs/dbraw/zinc/08/15/74/202081574.db2.gz GRMYOYDGNAFZFA-UHFFFAOYSA-N 0 0 326.365 1.645 10 0 EDAERN COC(=O)Cn1cc(NC(=O)c2cc(Br)cn2C)cn1 ZINC000038030327 202090323 /nfs/dbraw/zinc/09/03/23/202090323.db2.gz CJMFTWPEMXPKRA-UHFFFAOYSA-N 0 0 341.165 1.409 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccccc1F)c1nc(-c2cnccn2)no1 ZINC000084511233 138270029 /nfs/dbraw/zinc/27/00/29/138270029.db2.gz LCCIWFDVPFJRBX-SECBINFHSA-N 0 0 349.347 1.705 10 0 EDAERN O=C(CC1CCCCC1)NCCNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000081490615 138266684 /nfs/dbraw/zinc/26/66/84/138266684.db2.gz CKXMXHSXTCVXKQ-HZPDHXFCSA-N 0 0 339.480 1.923 10 0 EDAERN Cc1nonc1CC(=O)N[C@H](C)c1cnn(-c2ccccn2)c1C ZINC000012439083 202141663 /nfs/dbraw/zinc/14/16/63/202141663.db2.gz HKCYSJXLCNQRNI-SNVBAGLBSA-N 0 0 326.360 1.687 10 0 EDAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092421684 138288745 /nfs/dbraw/zinc/28/87/45/138288745.db2.gz HHWQYXFXEOIBON-KBUPBQIOSA-N 0 0 326.437 1.177 10 0 EDAERN CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000028051078 202163877 /nfs/dbraw/zinc/16/38/77/202163877.db2.gz SYMNODASKLRVIW-UHFFFAOYSA-N 0 0 328.409 1.671 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)[C@H]3CCCCO3)CC2)cn1 ZINC000124401377 138326385 /nfs/dbraw/zinc/32/63/85/138326385.db2.gz ANAMPKAFZOEUEK-QGZVFWFLSA-N 0 0 334.464 1.897 10 0 EDAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000131559685 138361888 /nfs/dbraw/zinc/36/18/88/138361888.db2.gz DSKRNTRXMWMJNN-QWRGUYRKSA-N 0 0 337.424 1.705 10 0 EDAERN Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133907011 138399852 /nfs/dbraw/zinc/39/98/52/138399852.db2.gz XZHDAVWQGJEDRL-ZDUSSCGKSA-N 0 0 330.436 1.426 10 0 EDAERN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1nnc2n1CCCC2 ZINC000135248138 138421434 /nfs/dbraw/zinc/42/14/34/138421434.db2.gz BUSKZNAITBLCCF-LLVKDONJSA-N 0 0 328.372 1.877 10 0 EDAERN COC[C@@H](NC(=O)N[C@H](C)c1nnc2n1CCCC2)c1ccco1 ZINC000153418766 138496179 /nfs/dbraw/zinc/49/61/79/138496179.db2.gz SDEIESRCVBEAAX-VXGBXAGGSA-N 0 0 333.392 1.955 10 0 EDAERN CNC(=O)CCCOc1c(Br)cc(CO)cc1OC ZINC000068819286 202256581 /nfs/dbraw/zinc/25/65/81/202256581.db2.gz CRVJPGDCBWXYNM-UHFFFAOYSA-N 0 0 332.194 1.855 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000177587355 138731525 /nfs/dbraw/zinc/73/15/25/138731525.db2.gz RWROEBKBOZFSLH-LLVKDONJSA-N 0 0 331.438 1.388 10 0 EDAERN O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)C[C@H](O)CO ZINC000177674234 138732517 /nfs/dbraw/zinc/73/25/17/138732517.db2.gz ACKRXSXDMFYDSG-GFCCVEGCSA-N 0 0 331.777 1.263 10 0 EDAERN Cc1cnn(CCNC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)c1 ZINC000180691081 138761293 /nfs/dbraw/zinc/76/12/93/138761293.db2.gz NTDOBHJYFOYXCZ-GULBITTBSA-N 0 0 336.436 1.813 10 0 EDAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000178295849 295996837 /nfs/dbraw/zinc/99/68/37/295996837.db2.gz UZHYQJONUSHUEH-DGCLKSJQSA-N 0 0 345.428 1.973 10 0 EDAERN Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)no1 ZINC000036103883 202315641 /nfs/dbraw/zinc/31/56/41/202315641.db2.gz VLYMUQKPSZYUHP-AWEZNQCLSA-N 0 0 349.412 1.916 10 0 EDAERN CS(=O)(=O)c1cccc(OCCCCCCS(N)(=O)=O)c1 ZINC000070490307 202334134 /nfs/dbraw/zinc/33/41/34/202334134.db2.gz FJEDPIXEIMQDTC-UHFFFAOYSA-N 0 0 335.447 1.318 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000037055237 202335266 /nfs/dbraw/zinc/33/52/66/202335266.db2.gz AYWPZBOZIBRHSK-SECBINFHSA-N 0 0 335.223 1.489 10 0 EDAERN CCOC(=O)[C@@H](CCn1cc(I)cn1)NC ZINC000070678644 202338156 /nfs/dbraw/zinc/33/81/56/202338156.db2.gz ZRINFRZJPBADHD-SECBINFHSA-N 0 0 337.161 1.029 10 0 EDAERN Nc1cc(Br)ccc1S[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693241 202353464 /nfs/dbraw/zinc/35/34/64/202353464.db2.gz DMNHPIQIGOXGMI-WPRPVWTQSA-N 0 0 338.248 1.281 10 0 EDAERN CC1(C)CN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)CCO1 ZINC000071246713 202342108 /nfs/dbraw/zinc/34/21/08/202342108.db2.gz ZJLYGTJXWZSYMH-UHFFFAOYSA-N 0 0 332.422 1.259 10 0 EDAERN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)c[nH]2)s1 ZINC000040218158 202430014 /nfs/dbraw/zinc/43/00/14/202430014.db2.gz ISVBPVYUSROGFH-UHFFFAOYSA-N 0 0 333.822 1.350 10 0 EDAERN O=C(c1cccs1)N1CCN(S(=O)(=O)C2CCCC2)CC1 ZINC000041379167 202480835 /nfs/dbraw/zinc/48/08/35/202480835.db2.gz BRNQULAFYHBKIN-UHFFFAOYSA-N 0 0 328.459 1.778 10 0 EDAERN CS(=O)(=O)CCNC(=O)c1cc2ccc(F)cc2nc1Cl ZINC000041339993 202480839 /nfs/dbraw/zinc/48/08/39/202480839.db2.gz DYZNRVOJQWAVKE-UHFFFAOYSA-N 0 0 330.768 1.802 10 0 EDAERN Cc1c(Cl)cccc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186182496 138813632 /nfs/dbraw/zinc/81/36/32/138813632.db2.gz HBHSORQCBMDGCZ-UHFFFAOYSA-N 0 0 342.848 1.938 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)CC2 ZINC000114901958 201071535 /nfs/dbraw/zinc/07/15/35/201071535.db2.gz SWIKIZVACJFNHB-CYBMUJFWSA-N 0 0 343.387 1.764 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(NC(C)=O)ccc1F)CC2 ZINC000114872806 201071551 /nfs/dbraw/zinc/07/15/51/201071551.db2.gz NCGLXUQNFIUEEB-GFCCVEGCSA-N 0 0 345.378 1.683 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)CC2 ZINC000114861927 201071578 /nfs/dbraw/zinc/07/15/78/201071578.db2.gz IDQYRGSTRRRASJ-ZDUSSCGKSA-N 0 0 337.387 1.166 10 0 EDAERN C[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)[C@H]1CCCO1 ZINC000027868650 201063522 /nfs/dbraw/zinc/06/35/22/201063522.db2.gz MCTROVJMOXZYOG-IUODEOHRSA-N 0 0 330.384 1.633 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000048806415 201111880 /nfs/dbraw/zinc/11/18/80/201111880.db2.gz XJWFNXBKYGXHBW-LBPRGKRZSA-N 0 0 325.368 1.910 10 0 EDAERN Cc1cc(C)n(CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000055227676 201133539 /nfs/dbraw/zinc/13/35/39/201133539.db2.gz AGPVJESYUPLWSS-CQSZACIVSA-N 0 0 333.413 1.535 10 0 EDAERN CSc1cccc(N(C)[C@@H]2CCS(=O)(=O)C2)c1C(N)=S ZINC000136755602 201134908 /nfs/dbraw/zinc/13/49/08/201134908.db2.gz WVIDTQLMWNUVSS-SECBINFHSA-N 0 0 330.500 1.666 10 0 EDAERN C[C@@H]1CN(CCS(=O)(=O)c2cccc(C(N)=S)c2)CCS1 ZINC000137175931 201135258 /nfs/dbraw/zinc/13/52/58/201135258.db2.gz RRQHNNKUIMEQOJ-LLVKDONJSA-N 0 0 344.527 1.532 10 0 EDAERN C[C@H]1CN(S(=O)(=O)Cc2ccccc2C(N)=S)CCS1 ZINC000137169983 201135821 /nfs/dbraw/zinc/13/58/21/201135821.db2.gz MSHKXVKKWHEQHS-JTQLQIEISA-N 0 0 330.500 1.588 10 0 EDAERN Cc1ccc(-c2nnn(CC(=O)N[C@H]3COc4ccccc43)n2)cc1 ZINC000058729332 201142851 /nfs/dbraw/zinc/14/28/51/201142851.db2.gz BSNNRSAENNXAEB-HNNXBMFYSA-N 0 0 335.367 1.898 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000077868950 201183458 /nfs/dbraw/zinc/18/34/58/201183458.db2.gz XWABFMISBZQZJL-ONGXEEELSA-N 0 0 328.315 1.910 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000069460933 201166170 /nfs/dbraw/zinc/16/61/70/201166170.db2.gz ABFJHYYHGABMNS-HIFRSBDPSA-N 0 0 335.379 1.959 10 0 EDAERN Cc1cccc(C[C@@H](CO)NC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000188253088 138835703 /nfs/dbraw/zinc/83/57/03/138835703.db2.gz ZPEXPWAVKCWTGC-GJZGRUSLSA-N 0 0 329.404 1.324 10 0 EDAERN CCNC(=O)CCNS(=O)(=O)c1ccccc1Br ZINC000047654798 202585262 /nfs/dbraw/zinc/58/52/62/202585262.db2.gz AABXRJIWPKILEQ-UHFFFAOYSA-N 0 0 335.223 1.254 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000024486506 212423530 /nfs/dbraw/zinc/42/35/30/212423530.db2.gz HWCOUFMXQIFROF-LBPRGKRZSA-N 0 0 340.383 1.863 10 0 EDAERN CCc1cc(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc12 ZINC000049473474 202623633 /nfs/dbraw/zinc/62/36/33/202623633.db2.gz FMXXNVLIGCTCNH-UHFFFAOYSA-N 0 0 327.340 1.178 10 0 EDAERN CCCCN(CC(N)=O)C(=O)c1cccc(N)c1Br ZINC000158928395 201407240 /nfs/dbraw/zinc/40/72/40/201407240.db2.gz VAUMDOLXTZPCER-UHFFFAOYSA-N 0 0 328.210 1.759 10 0 EDAERN O=C(c1nnc(-c2cccc(F)c2)o1)N1CCC2(CC1)OCCO2 ZINC000049685983 202627042 /nfs/dbraw/zinc/62/70/42/202627042.db2.gz KUVRPJLLBFAIIU-UHFFFAOYSA-N 0 0 333.319 1.855 10 0 EDAERN CCCOCCOCCS(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000163192788 201417167 /nfs/dbraw/zinc/41/71/67/201417167.db2.gz CYDZCCMIXSCFFR-UHFFFAOYSA-N 0 0 331.459 1.538 10 0 EDAERN Cc1noc2nc(C3CC3)cc(C(=O)N3CCCNC(=O)[C@H]3C)c12 ZINC000188848245 138853548 /nfs/dbraw/zinc/85/35/48/138853548.db2.gz IWDZZWWVLYORIQ-SNVBAGLBSA-N 0 0 328.372 1.759 10 0 EDAERN Cc1ccc(CNC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2)o1 ZINC000165397136 201421234 /nfs/dbraw/zinc/42/12/34/201421234.db2.gz LAQUOXBIIPQDRG-UHFFFAOYSA-N 0 0 328.777 1.819 10 0 EDAERN COC[C@H](C)Cn1nnnc1-c1cc(N)cc(Br)c1 ZINC000165577455 201421329 /nfs/dbraw/zinc/42/13/29/201421329.db2.gz YEWVDWFPBINWCB-MRVPVSSYSA-N 0 0 326.198 1.967 10 0 EDAERN CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188885942 138854817 /nfs/dbraw/zinc/85/48/17/138854817.db2.gz HTMPLFFMDWJJOF-GOEBONIOSA-N 0 0 337.464 1.748 10 0 EDAERN CC[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccc(F)cc1F ZINC000189072963 138860064 /nfs/dbraw/zinc/86/00/64/138860064.db2.gz OPVIJSSSKGQBCN-KCPJHIHWSA-N 0 0 326.343 1.514 10 0 EDAERN CO[C@H](C)CNC(=O)Cc1ccc(CC(=O)NC[C@H](C)OC)cc1 ZINC000189171428 138863130 /nfs/dbraw/zinc/86/31/30/138863130.db2.gz NMICWUMWULORJU-OKILXGFUSA-N 0 0 336.432 1.074 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000189186883 138863636 /nfs/dbraw/zinc/86/36/36/138863636.db2.gz FOFGKRCWKUTFHM-WCQYABFASA-N 0 0 341.364 1.668 10 0 EDAERN CCSc1nnc(N)n1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000001922592 201522422 /nfs/dbraw/zinc/52/24/22/201522422.db2.gz VEJQHIINFGCRDG-UHFFFAOYSA-N 0 0 334.405 1.569 10 0 EDAERN Cc1ccc([C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000062123643 202794157 /nfs/dbraw/zinc/79/41/57/202794157.db2.gz MVBBRWRPAVJQGO-MRXNPFEDSA-N 0 0 330.409 1.857 10 0 EDAERN CCOCCOCCN(C)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000189878856 138882124 /nfs/dbraw/zinc/88/21/24/138882124.db2.gz OQRAGDLSKACADT-ZDUSSCGKSA-N 0 0 325.413 1.116 10 0 EDAERN CCOC(=O)C1CCN(C(=O)CCNc2cnc3cnccn23)CC1 ZINC000064758246 202818061 /nfs/dbraw/zinc/81/80/61/202818061.db2.gz CRJARJKNTJNJEW-UHFFFAOYSA-N 0 0 345.403 1.333 10 0 EDAERN Cn1c(C[C@H]2CCN(C(=O)NC[C@H]3CCCO3)C2)nc2cccnc21 ZINC000065292554 202834707 /nfs/dbraw/zinc/83/47/07/202834707.db2.gz PLWBOBKBCACPRI-ZIAGYGMSSA-N 0 0 343.431 1.721 10 0 EDAERN O=C(C1CCOCC1)N1Cc2ccnn2[C@@H](COc2cccnc2)C1 ZINC000247873217 243468521 /nfs/dbraw/zinc/46/85/21/243468521.db2.gz RUZDYSWLSOMHBS-MRXNPFEDSA-N 0 0 342.399 1.667 10 0 EDAERN C[C@@H]1C[C@@H](NC(=O)C2CN(S(=O)(=O)C3CC3)C2)CC(C)(C)C1 ZINC000070818268 203081538 /nfs/dbraw/zinc/08/15/38/203081538.db2.gz OMMCGBXZAOJPCS-DGCLKSJQSA-N 0 0 328.478 1.741 10 0 EDAERN O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc(F)c(F)c1F ZINC000070873517 203082484 /nfs/dbraw/zinc/08/24/84/203082484.db2.gz UQXOGAQBYQDDFT-UHFFFAOYSA-N 0 0 349.272 1.485 10 0 EDAERN C[C@H]1C[C@H](NC(=O)C2CN(C(=O)c3cnccn3)C2)CC(C)(C)C1 ZINC000070841781 203082740 /nfs/dbraw/zinc/08/27/40/203082740.db2.gz HVJMVVHRBCLXTB-JSGCOSHPSA-N 0 0 330.432 1.880 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)cn1 ZINC000191758662 138923292 /nfs/dbraw/zinc/92/32/92/138923292.db2.gz AVIOLBYIFHZIIP-OAHLLOKOSA-N 0 0 341.371 1.286 10 0 EDAERN CCOC(=O)CCN(C(=O)CC)C1CCN(C(=O)OCC)CC1 ZINC000071602645 203100298 /nfs/dbraw/zinc/10/02/98/203100298.db2.gz XVDBNRHJTRAVJF-UHFFFAOYSA-N 0 0 328.409 1.799 10 0 EDAERN CCOC(=O)CCN(CCN1CCOCC1)C(=O)Nc1ccccc1 ZINC000071623263 203101289 /nfs/dbraw/zinc/10/12/89/203101289.db2.gz GGCFNDJZEHTSLI-UHFFFAOYSA-N 0 0 349.431 1.806 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCOCC(F)F)C2)n1 ZINC000191870500 138926772 /nfs/dbraw/zinc/92/67/72/138926772.db2.gz LGZWUOJIBGUMIF-CYBMUJFWSA-N 0 0 330.379 1.805 10 0 EDAERN C[C@@H]1CCCCN1S(=O)(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000071920444 203150664 /nfs/dbraw/zinc/15/06/64/203150664.db2.gz XBMGLTWDGYKRDP-LLVKDONJSA-N 0 0 326.422 1.315 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CCc1cccs1 ZINC000192024863 138933119 /nfs/dbraw/zinc/93/31/19/138933119.db2.gz XISHKXQBNZTKLK-GFCCVEGCSA-N 0 0 326.447 1.645 10 0 EDAERN COc1ccccc1NC(=S)c1c(N)[nH]c(N2CCCC2)nc1=O ZINC000072450616 203227346 /nfs/dbraw/zinc/22/73/46/203227346.db2.gz WTMWAMNGDUJBKA-UHFFFAOYSA-N 0 0 345.428 1.749 10 0 EDAERN COC(=O)Cc1nn(-c2cccc(F)c2)c2c1nnc1ccnn12 ZINC000072463969 203229782 /nfs/dbraw/zinc/22/97/82/203229782.db2.gz YUCVAAPWHJQBNT-UHFFFAOYSA-N 0 0 326.291 1.318 10 0 EDAERN C[C@H]1COC[C@H](C)N1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000072685972 203242319 /nfs/dbraw/zinc/24/23/19/203242319.db2.gz BPAZWMMPDIFJRN-GJZGRUSLSA-N 0 0 335.423 1.584 10 0 EDAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(N)c(F)cc2Cl)C1 ZINC000040501955 203275609 /nfs/dbraw/zinc/27/56/09/203275609.db2.gz NFSJUASUPPPYGC-SECBINFHSA-N 0 0 335.832 1.824 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000073414643 203264865 /nfs/dbraw/zinc/26/48/65/203264865.db2.gz WDIJWYHITOEZAU-ZDUSSCGKSA-N 0 0 326.400 1.918 10 0 EDAERN O=C(CN1C(=O)C(=O)c2c1cccc2Br)N1CCCC1 ZINC000019966745 212090453 /nfs/dbraw/zinc/09/04/53/212090453.db2.gz UJCPJNXTOCMTDN-UHFFFAOYSA-N 0 0 337.173 1.601 10 0 EDAERN O=C(c1ccccn1)N1CCN(c2n[nH]cc2-c2ccncc2)CC1 ZINC000075558022 203318695 /nfs/dbraw/zinc/31/86/95/203318695.db2.gz HYPXQGYGCPYLCN-UHFFFAOYSA-N 0 0 334.383 1.829 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000076099936 203339253 /nfs/dbraw/zinc/33/92/53/203339253.db2.gz LJWPIBZRTRYZOU-TVQRCGJNSA-N 0 0 326.360 1.138 10 0 EDAERN Cc1ccc(CN2C[C@H](C(=O)N3[C@@H](C)COC[C@@H]3C)CC2=O)cc1 ZINC000076363150 203350483 /nfs/dbraw/zinc/35/04/83/203350483.db2.gz WUFJPOQCGLCHPV-YQQAZPJKSA-N 0 0 330.428 1.979 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000193370927 138967715 /nfs/dbraw/zinc/96/77/15/138967715.db2.gz OOEGDFNPHDNESW-KRWDZBQOSA-N 0 0 338.423 1.761 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000193434011 138969148 /nfs/dbraw/zinc/96/91/48/138969148.db2.gz WAYZOAGYMHXHQN-IYYTYJHQSA-N 0 0 328.771 1.638 10 0 EDAERN C[C@H](NC(=O)c1cc(N2CCCC2)ccn1)C(=O)N1CCCCC1 ZINC000194474685 138993509 /nfs/dbraw/zinc/99/35/09/138993509.db2.gz KYOGCHUNTLUEJF-AWEZNQCLSA-N 0 0 330.432 1.813 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccccn1 ZINC000093354908 203695189 /nfs/dbraw/zinc/69/51/89/203695189.db2.gz XJKKOYLLESNBBL-CYBMUJFWSA-N 0 0 328.376 1.069 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2cc(Cl)ncn2)C1 ZINC000095083367 203711352 /nfs/dbraw/zinc/71/13/52/203711352.db2.gz GFFNLZIUYPJJSS-SECBINFHSA-N 0 0 347.824 1.913 10 0 EDAERN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)c3nncn3C)C2)cc1 ZINC000095997254 203792514 /nfs/dbraw/zinc/79/25/14/203792514.db2.gz SIOAIBFCMHVPDP-OAHLLOKOSA-N 0 0 341.415 1.639 10 0 EDAERN COC(=O)CCNC(=O)CN[C@@H](C)c1ccccc1Br ZINC000102684034 204046565 /nfs/dbraw/zinc/04/65/65/204046565.db2.gz RTIIMJHSKSDASG-JTQLQIEISA-N 0 0 343.221 1.779 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)C(C)C ZINC000151746902 204059892 /nfs/dbraw/zinc/05/98/92/204059892.db2.gz ZBHAMTLHYVQJRN-ZOBUZTSGSA-N 0 0 340.464 1.580 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)NCCCc2ccccc2)cn1 ZINC000104899729 204125801 /nfs/dbraw/zinc/12/58/01/204125801.db2.gz VNSQETCXPJBAMY-KRWDZBQOSA-N 0 0 340.427 1.833 10 0 EDAERN Cc1nc(NC(=O)c2cc(N)cc(S(C)(=O)=O)c2)sc1C ZINC000042806601 204148289 /nfs/dbraw/zinc/14/82/89/204148289.db2.gz UBNAOFKFMAAPFF-UHFFFAOYSA-N 0 0 325.415 1.998 10 0 EDAERN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798281 204159651 /nfs/dbraw/zinc/15/96/51/204159651.db2.gz FUYDYORZCMRSAW-HOTGVXAUSA-N 0 0 331.464 1.684 10 0 EDAERN Cc1ccc(N2CCCN(CC(=O)NCc3cccs3)CC2)nn1 ZINC000105800779 204160280 /nfs/dbraw/zinc/16/02/80/204160280.db2.gz BAFHGWVPYBXCTA-UHFFFAOYSA-N 0 0 345.472 1.675 10 0 EDAERN CCCS(=O)(=O)CCN1CCC(N(C)c2cccnn2)CC1 ZINC000105807333 204162108 /nfs/dbraw/zinc/16/21/08/204162108.db2.gz HYCGEODGNAXQNT-UHFFFAOYSA-N 0 0 326.466 1.202 10 0 EDAERN CN(c1cccnn1)C1CCN(CC(=O)NCCC(C)(C)C)CC1 ZINC000105807212 204163427 /nfs/dbraw/zinc/16/34/27/204163427.db2.gz RQMLWUVLKFFZKG-UHFFFAOYSA-N 0 0 333.480 1.930 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)CCn3cccn3)CC2)n1 ZINC000105820238 204164101 /nfs/dbraw/zinc/16/41/01/204164101.db2.gz KQVLZLIGVREBGX-UHFFFAOYSA-N 0 0 344.419 1.119 10 0 EDAERN Cc1noc2nc(C)cc(C(=O)N3CCC[C@@H](n4cncn4)C3)c12 ZINC000105853941 204170854 /nfs/dbraw/zinc/17/08/54/204170854.db2.gz WNZOEWPAMLYXFH-GFCCVEGCSA-N 0 0 326.360 1.908 10 0 EDAERN CN(C)C(=O)c1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000105855937 204170867 /nfs/dbraw/zinc/17/08/67/204170867.db2.gz LLJKAEGYVNSPMK-OAHLLOKOSA-N 0 0 327.388 1.457 10 0 EDAERN O=C(c1ccc(Br)cn1)N1CCC[C@H](n2cncn2)C1 ZINC000105855742 204171246 /nfs/dbraw/zinc/17/12/46/204171246.db2.gz XVCIESMWQAHUPG-NSHDSACASA-N 0 0 336.193 1.913 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105868098 204171684 /nfs/dbraw/zinc/17/16/84/204171684.db2.gz WQRUCBTVXRGSOY-UHFFFAOYSA-N 0 0 347.463 1.918 10 0 EDAERN COc1ccc(O)c(C(=O)N2CCC(N(C)c3cccnn3)CC2)c1 ZINC000105868214 204173486 /nfs/dbraw/zinc/17/34/86/204173486.db2.gz QDMPHKJVYLHLFH-UHFFFAOYSA-N 0 0 342.399 1.932 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000105888241 204176543 /nfs/dbraw/zinc/17/65/43/204176543.db2.gz UTNRBTKEZBHKKN-JZXOWHBKSA-N 0 0 342.443 1.850 10 0 EDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1ccc(F)cc1F ZINC000105888813 204177038 /nfs/dbraw/zinc/17/70/38/204177038.db2.gz XZTHLJYBTSGMKG-CYBMUJFWSA-N 0 0 336.342 1.501 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CCc3ccncc3)CC2)n1 ZINC000105917326 204180722 /nfs/dbraw/zinc/18/07/22/204180722.db2.gz BYUCNXUAPQWCLK-UHFFFAOYSA-N 0 0 327.432 1.943 10 0 EDAERN COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000043429745 204267395 /nfs/dbraw/zinc/26/73/95/204267395.db2.gz RRXDHGLUBHKMAO-GFCCVEGCSA-N 0 0 334.825 1.788 10 0 EDAERN O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109095296 204277705 /nfs/dbraw/zinc/27/77/05/204277705.db2.gz HKNMCWXTJGVUOH-VXGBXAGGSA-N 0 0 344.383 1.220 10 0 EDAERN CNS(=O)(=O)c1ccc(N(C)Cc2csc(C)n2)c(N)c1 ZINC000044609105 204303071 /nfs/dbraw/zinc/30/30/71/204303071.db2.gz UYSXPMNQGJLHSZ-UHFFFAOYSA-N 0 0 326.447 1.578 10 0 EDAERN O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000110883642 204326287 /nfs/dbraw/zinc/32/62/87/204326287.db2.gz NISNIPRSUVQTCA-AWEZNQCLSA-N 0 0 341.396 1.938 10 0 EDAERN CCCNC(=O)CCC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000110900274 204327004 /nfs/dbraw/zinc/32/70/04/204327004.db2.gz JCLKSMOVXVNICD-OAHLLOKOSA-N 0 0 336.436 1.034 10 0 EDAERN O=C([O-])c1cc(Cl)cc(S(=O)(=O)NC2CC[NH2+]CC2)c1F ZINC000048835154 204357358 /nfs/dbraw/zinc/35/73/58/204357358.db2.gz CURKGNLXIBTRQQ-UHFFFAOYSA-N 0 0 336.772 1.208 10 0 EDAERN CCCN(CC1CC1)S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000048996856 204362357 /nfs/dbraw/zinc/36/23/57/204362357.db2.gz UXAIBUCGSLDTOA-UHFFFAOYSA-N 0 0 332.447 1.145 10 0 EDAERN COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(N)cc1C(F)(F)F ZINC000049063462 204366661 /nfs/dbraw/zinc/36/66/61/204366661.db2.gz PLSFDMNAWHLPOC-LURJTMIESA-N 0 0 326.296 1.591 10 0 EDAERN C[C@H](NC(=O)N1CC[NH+](CC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000049147644 204368724 /nfs/dbraw/zinc/36/87/24/204368724.db2.gz SQMSKHOLMFCZTP-VIFPVBQESA-N 0 0 331.825 1.874 10 0 EDAERN CCn1cc(C2CCN([C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)cn1 ZINC000111212224 204341939 /nfs/dbraw/zinc/34/19/39/204341939.db2.gz NNUNVXYXACQXDG-QGZVFWFLSA-N 0 0 342.447 1.621 10 0 EDAERN COc1cc(CNC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)ccn1 ZINC000112106460 204383048 /nfs/dbraw/zinc/38/30/48/204383048.db2.gz WSWKPYOWRHWIIY-OAHLLOKOSA-N 0 0 345.403 1.206 10 0 EDAERN O=C(/C=C/c1ccc(Br)s1)N1CCCNC(=O)C1 ZINC000112208600 204387291 /nfs/dbraw/zinc/38/72/91/204387291.db2.gz SNYMXJDCXAJLAT-HWKANZROSA-N 0 0 329.219 1.872 10 0 EDAERN CCCCOC[C@H](O)CN1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000195189688 139009540 /nfs/dbraw/zinc/00/95/40/139009540.db2.gz QXVOJUJTCHUGAX-CQSZACIVSA-N 0 0 342.461 1.135 10 0 EDAERN CCCS(=O)(=O)CCN1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195276427 139012118 /nfs/dbraw/zinc/01/21/18/139012118.db2.gz LYTMKZGAZVZINV-KRWDZBQOSA-N 0 0 339.505 1.660 10 0 EDAERN COC(=O)c1cccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000195279675 139012296 /nfs/dbraw/zinc/01/22/96/139012296.db2.gz QWDCWOGGUWYDCP-CQSZACIVSA-N 0 0 342.399 1.933 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000114646765 204482377 /nfs/dbraw/zinc/48/23/77/204482377.db2.gz NGVPGDKFLLDFIF-VXGBXAGGSA-N 0 0 349.774 1.858 10 0 EDAERN CCCCOCCNC(=O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195396840 139015891 /nfs/dbraw/zinc/01/58/91/139015891.db2.gz CIEBLLFVNSZSOS-AWEZNQCLSA-N 0 0 341.477 1.758 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCC[C@@H]3CO)c2)oc1C ZINC000121203907 204786763 /nfs/dbraw/zinc/78/67/63/204786763.db2.gz DHEFYRVXTQRFMG-OAHLLOKOSA-N 0 0 343.383 1.880 10 0 EDAERN COCCN1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C[C@H]1C ZINC000126485568 205058787 /nfs/dbraw/zinc/05/87/87/205058787.db2.gz SOKAODYVWATBKN-GFCCVEGCSA-N 0 0 349.406 1.503 10 0 EDAERN CCOC(=O)CCCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000156584393 205099209 /nfs/dbraw/zinc/09/92/09/205099209.db2.gz RNRNJAWXQDJZIF-LBPRGKRZSA-N 0 0 337.424 1.359 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000127314555 205095291 /nfs/dbraw/zinc/09/52/91/205095291.db2.gz IFPXEBJXIPMDNJ-BBRMVZONSA-N 0 0 342.399 1.478 10 0 EDAERN O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000127883327 205121420 /nfs/dbraw/zinc/12/14/20/205121420.db2.gz VAFSGGBGUSZQOP-CZUORRHYSA-N 0 0 342.399 1.478 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC(CC(N)=O)CC1)CC2 ZINC000156621648 205104947 /nfs/dbraw/zinc/10/49/47/205104947.db2.gz CYLARNPIKAHIOB-ZDUSSCGKSA-N 0 0 348.451 1.013 10 0 EDAERN CCNC(=O)N1CC[C@H]2CC(=O)N(Cc3cccnc3)CC[C@H]2C1 ZINC000015673124 211839792 /nfs/dbraw/zinc/83/97/92/211839792.db2.gz UOOBKIQAHWCAQR-HOTGVXAUSA-N 0 0 330.432 1.872 10 0 EDAERN COc1cccc([C@@H](C)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111084875 220097514 /nfs/dbraw/zinc/09/75/14/220097514.db2.gz JAVCWBJNPGYORS-RHSMWYFYSA-N 0 0 329.400 1.923 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cc1Cl ZINC000130633721 205248543 /nfs/dbraw/zinc/24/85/43/205248543.db2.gz SXPLYCDLLJAZPM-GXFFZTMASA-N 0 0 340.807 1.954 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C[C@H]3CSCCS3)CCO2)c1 ZINC000131552967 205294357 /nfs/dbraw/zinc/29/43/57/205294357.db2.gz LZUMEXGEICZOIJ-KBPBESRZSA-N 0 0 341.502 1.658 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3OCCc4ccccc43)CCO2)c1 ZINC000133124406 205356344 /nfs/dbraw/zinc/35/63/44/205356344.db2.gz LTVQJQDPJRHIIX-FUHWJXTLSA-N 0 0 341.411 1.733 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Cc3ccc(O)cc3)CC2)n1 ZINC000133758256 205377001 /nfs/dbraw/zinc/37/70/01/205377001.db2.gz NHTYZLSPALENAV-CYBMUJFWSA-N 0 0 344.415 1.786 10 0 EDAERN CN(CCn1cccn1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000134231352 205397875 /nfs/dbraw/zinc/39/78/75/205397875.db2.gz RECUOFGGOKCDFI-NVXWUHKLSA-N 0 0 344.390 1.700 10 0 EDAERN CCOCCCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111831554 220201986 /nfs/dbraw/zinc/20/19/86/220201986.db2.gz DHVFOXLRTLGRFM-INIZCTEOSA-N 0 0 338.452 1.727 10 0 EDAERN [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC000147470527 223722824 /nfs/dbraw/zinc/72/28/24/223722824.db2.gz ZOFSFCRWHMRJRO-QMMMGPOBSA-N 0 0 342.193 1.960 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1noc2ccccc12 ZINC000155302252 206001228 /nfs/dbraw/zinc/00/12/28/206001228.db2.gz MFQQXVPOLCZGNZ-GFCCVEGCSA-N 0 0 341.371 1.760 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000155750245 206032160 /nfs/dbraw/zinc/03/21/60/206032160.db2.gz BHMLLGXNMKCQPU-GFCCVEGCSA-N 0 0 342.754 1.972 10 0 EDAERN CCS(=O)(=O)CCOC(=O)c1cccc(N)c1Br ZINC000156269898 206066111 /nfs/dbraw/zinc/06/61/11/206066111.db2.gz LICHKDMSGFQZLQ-UHFFFAOYSA-N 0 0 336.207 1.623 10 0 EDAERN CN[C@@H](c1cnnn1C)c1ccccc1I ZINC000157048168 206113682 /nfs/dbraw/zinc/11/36/82/206113682.db2.gz PZNUKSNIOPZEKK-LLVKDONJSA-N 0 0 328.157 1.729 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000157478519 206138567 /nfs/dbraw/zinc/13/85/67/206138567.db2.gz DGSZDYHJDCKUIQ-SJORKVTESA-N 0 0 348.443 1.619 10 0 EDAERN Cc1nc(-c2c[nH]c(C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)c2)cs1 ZINC000157534238 206141992 /nfs/dbraw/zinc/14/19/92/206141992.db2.gz CZMVZSJJHWKWOD-AMIZOPFISA-N 0 0 334.401 1.161 10 0 EDAERN CCn1nc(C)c(Br)c1C[C@H](NN)c1csnn1 ZINC000158290468 206183314 /nfs/dbraw/zinc/18/33/14/206183314.db2.gz PXEOGDDSTPBRBU-ZETCQYMHSA-N 0 0 331.243 1.573 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](C)Cc3cc(C)n[nH]3)CCO2)[nH]1 ZINC000158331546 206184654 /nfs/dbraw/zinc/18/46/54/206184654.db2.gz ZOSVZJOBMDDSHJ-GWCFXTLKSA-N 0 0 347.423 1.113 10 0 EDAERN CC(=O)NCCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000158556005 206198907 /nfs/dbraw/zinc/19/89/07/206198907.db2.gz TXYBNQXAGRSYQE-CYBMUJFWSA-N 0 0 331.338 1.985 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000245974220 139091625 /nfs/dbraw/zinc/09/16/25/139091625.db2.gz WMSFRZWNVKMXMX-YPMHNXCESA-N 0 0 330.440 1.250 10 0 EDAERN Nc1cc(I)ccc1N1CCOC[C@H]1CO ZINC000159003168 206220314 /nfs/dbraw/zinc/22/03/14/206220314.db2.gz MQBAWQPBBUAHSF-SECBINFHSA-N 0 0 334.157 1.071 10 0 EDAERN C[C@H](NC(=O)N1CCC(OC[C@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000246112942 139095480 /nfs/dbraw/zinc/09/54/80/139095480.db2.gz KDKXBKQMEVPZPI-NUEKZKHPSA-N 0 0 326.437 1.924 10 0 EDAERN Cc1ccc(OC[C@H](O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C)c1 ZINC000246306518 139103400 /nfs/dbraw/zinc/10/34/00/139103400.db2.gz AARDATLOQJWPHW-FGTMMUONSA-N 0 0 336.476 1.430 10 0 EDAERN CC1(C)C(=O)NC(=O)CN1c1ncc(Cl)cc1Br ZINC000159828478 206265280 /nfs/dbraw/zinc/26/52/80/206265280.db2.gz BIEUCXWLQALUKQ-UHFFFAOYSA-N 0 0 332.585 1.739 10 0 EDAERN CCC(=O)N1CC[C@H](C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000246499972 139110917 /nfs/dbraw/zinc/11/09/17/139110917.db2.gz SKXVGVZRCPEWQR-SOUVJXGZSA-N 0 0 334.416 1.953 10 0 EDAERN COCCN1CCN([C@H]2CCN(c3ccccc3F)C2=O)C[C@H]1C ZINC000246610774 139114901 /nfs/dbraw/zinc/11/49/01/139114901.db2.gz RTSQRYZKHCIIPS-PBHICJAKSA-N 0 0 335.423 1.584 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)Cn2cccn2)c2cccs2)CCO1 ZINC000246653947 139116500 /nfs/dbraw/zinc/11/65/00/139116500.db2.gz BXTYBLROSMLBAT-UONOGXRCSA-N 0 0 334.445 1.523 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)CCn2ccnn2)c2cccs2)CCO1 ZINC000246754790 139120228 /nfs/dbraw/zinc/12/02/28/139120228.db2.gz HWJAPYXNXPWWSG-UONOGXRCSA-N 0 0 349.460 1.308 10 0 EDAERN CC[C@H]1CN(C(=O)CSCc2ccncc2)CCN1C[C@H](C)O ZINC000246871444 139125222 /nfs/dbraw/zinc/12/52/22/139125222.db2.gz OBRMOCJQDMIYMB-HOCLYGCPSA-N 0 0 337.489 1.618 10 0 EDAERN COCCOCC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246842840 139123908 /nfs/dbraw/zinc/12/39/08/139123908.db2.gz LINGWDCJFPRTNH-UONOGXRCSA-N 0 0 342.461 1.289 10 0 EDAERN C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246839079 139123928 /nfs/dbraw/zinc/12/39/28/139123928.db2.gz DGNHUSSAZLTRQA-DZGCQCFKSA-N 0 0 329.404 1.599 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)CC[C@H]2CCCCO2)ncn1 ZINC000246924480 139126965 /nfs/dbraw/zinc/12/69/65/139126965.db2.gz LXFUYEZQQBQHBY-LSDHHAIUSA-N 0 0 347.463 1.953 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1nnc2n1CCCC2 ZINC000247022551 139131777 /nfs/dbraw/zinc/13/17/77/139131777.db2.gz MZSFIXWRDXBQPB-CDGCEXEKSA-N 0 0 333.436 1.788 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](C)c2nnc3n2CCCC3)C1 ZINC000247055347 139133670 /nfs/dbraw/zinc/13/36/70/139133670.db2.gz MHZNINSWARYBEP-JHJVBQTASA-N 0 0 334.420 1.771 10 0 EDAERN C[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(CO)ccc1Br ZINC000160745180 206311734 /nfs/dbraw/zinc/31/17/34/206311734.db2.gz WGWNOOVTRHSLIP-WCBMZHEXSA-N 0 0 334.235 1.876 10 0 EDAERN CC(C)([C@H](Cc1ccc(Br)cn1)NN)S(C)(=O)=O ZINC000161145595 206330878 /nfs/dbraw/zinc/33/08/78/206330878.db2.gz WXKUJIPGVIDUDI-JTQLQIEISA-N 0 0 336.255 1.042 10 0 EDAERN COc1cc(Br)c(N)cc1S(=O)(=O)N(C)C1CC1 ZINC000161193303 206334839 /nfs/dbraw/zinc/33/48/39/206334839.db2.gz ABHJIXUSDNCNTD-UHFFFAOYSA-N 0 0 335.223 1.823 10 0 EDAERN Cc1ccc(Br)c(C(=O)N2CC(=O)NC(=O)[C@@H]2C)c1 ZINC000161223297 206335949 /nfs/dbraw/zinc/33/59/49/206335949.db2.gz DRLRHYCYBFZGMM-QMMMGPOBSA-N 0 0 325.162 1.245 10 0 EDAERN CC(C)[C@@H](O)CC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000161774025 206370496 /nfs/dbraw/zinc/37/04/96/206370496.db2.gz PPSVWMMVYATQSI-SFHVURJKSA-N 0 0 346.471 1.991 10 0 EDAERN CCOCCN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000247144823 139137565 /nfs/dbraw/zinc/13/75/65/139137565.db2.gz LGNXJOAZIXFIBR-BRWVUGGUSA-N 0 0 325.497 1.534 10 0 EDAERN C[C@H](NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H]1CCCO1 ZINC000247321410 139144896 /nfs/dbraw/zinc/14/48/96/139144896.db2.gz WYIQDJGKXNHVTK-TUKIKUTGSA-N 0 0 330.384 1.189 10 0 EDAERN Cn1cc(N2CC[C@H](N3CC[C@@H](CNc4ccccn4)C3)C2=O)cn1 ZINC000247737123 139154575 /nfs/dbraw/zinc/15/45/75/139154575.db2.gz VYYMUUFWTPXFLE-HOCLYGCPSA-N 0 0 340.431 1.354 10 0 EDAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000170897795 206633902 /nfs/dbraw/zinc/63/39/02/206633902.db2.gz DZUWZOYOBAODHM-CQSZACIVSA-N 0 0 349.341 1.150 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)NCC(C)(C)O)c2cccs2)CCO1 ZINC000248367175 139160724 /nfs/dbraw/zinc/16/07/24/139160724.db2.gz SZMUMPUCMSBCQF-QWHCGFSZSA-N 0 0 341.477 1.580 10 0 EDAERN C[C@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248368221 139160799 /nfs/dbraw/zinc/16/07/99/139160799.db2.gz UYBSLMIWMDLQLH-FRRDWIJNSA-N 0 0 327.450 1.190 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c(Cl)n1 ZINC000248644814 139169892 /nfs/dbraw/zinc/16/98/92/139169892.db2.gz FPELJJRAUWTHFS-LBPRGKRZSA-N 0 0 329.853 1.902 10 0 EDAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)N3CCC(C)CC3)CCO2)cn1 ZINC000248698280 139172346 /nfs/dbraw/zinc/17/23/46/139172346.db2.gz DGVKPPGLJKUOOW-WBVHZDCISA-N 0 0 334.464 1.923 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1ccc(C)cc1=O ZINC000248751909 139174311 /nfs/dbraw/zinc/17/43/11/139174311.db2.gz HDGNXKIOHCIFSU-ILXRZTDVSA-N 0 0 332.400 1.489 10 0 EDAERN CCOc1ccccc1[C@H](CC)NC(=O)CN1CCCNC(=O)[C@H]1C ZINC000249049239 139184027 /nfs/dbraw/zinc/18/40/27/139184027.db2.gz NZCZNXFTZKYSBK-ZBFHGGJFSA-N 0 0 347.459 1.863 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000249754140 139198334 /nfs/dbraw/zinc/19/83/34/139198334.db2.gz SYCYLYBBLZDJBB-JURCDPSOSA-N 0 0 348.399 1.731 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)Cn1nc2ccccn2c1=O ZINC000172952775 206883189 /nfs/dbraw/zinc/88/31/89/206883189.db2.gz TZTBVAXVQOGXOJ-AWEZNQCLSA-N 0 0 340.383 1.218 10 0 EDAERN Cc1cc2ccccc2n1CC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174300690 207009107 /nfs/dbraw/zinc/00/91/07/207009107.db2.gz UXUXNWJDDZSBDQ-HZPDHXFCSA-N 0 0 329.444 1.863 10 0 EDAERN Cc1cc([C@@](C)(O)CNC(=O)[C@@H](C)NC(=O)c2ccco2)c(C)o1 ZINC000174673366 207044412 /nfs/dbraw/zinc/04/44/12/207044412.db2.gz PDYLZNXGXWWZOO-DIFFPNOSSA-N 0 0 334.372 1.632 10 0 EDAERN Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)O)N2CCOCC2)s1 ZINC000175005347 207082920 /nfs/dbraw/zinc/08/29/20/207082920.db2.gz FOTLJYDRXSVMOW-OCCSQVGLSA-N 0 0 341.477 1.500 10 0 EDAERN Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112756405 207139403 /nfs/dbraw/zinc/13/94/03/207139403.db2.gz YRSLBXPSJHAVTP-SNVBAGLBSA-N 0 0 330.431 1.223 10 0 EDAERN CSc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000176016008 207183140 /nfs/dbraw/zinc/18/31/40/207183140.db2.gz XBEDLAIBNIUUPY-CYBMUJFWSA-N 0 0 345.428 1.898 10 0 EDAERN CSc1cccc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000177231678 207309802 /nfs/dbraw/zinc/30/98/02/207309802.db2.gz TZWCTKNCIPOWJW-PBHICJAKSA-N 0 0 349.500 2.000 10 0 EDAERN COc1cccc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177234652 207310751 /nfs/dbraw/zinc/31/07/51/207310751.db2.gz SAJGBZPXEQSXFV-YOEHRIQHSA-N 0 0 333.432 1.557 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000262711922 139298111 /nfs/dbraw/zinc/29/81/11/139298111.db2.gz LZNIVHPPNQKKLE-UHFFFAOYSA-N 0 0 344.371 1.404 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cn(-c2ccccc2Cl)nn1 ZINC000177579675 207357883 /nfs/dbraw/zinc/35/78/83/207357883.db2.gz COPVRCLKZUJDMY-LLVKDONJSA-N 0 0 343.778 1.777 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000177603857 207362714 /nfs/dbraw/zinc/36/27/14/207362714.db2.gz GOSLVXUWNUVCTL-JSGCOSHPSA-N 0 0 329.335 1.562 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177635748 207368155 /nfs/dbraw/zinc/36/81/55/207368155.db2.gz JIFPAQBHEPXCQQ-AWEZNQCLSA-N 0 0 341.415 1.473 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COCc1ccccc1 ZINC000177700876 207379051 /nfs/dbraw/zinc/37/90/51/207379051.db2.gz UADQWPHTEYFINR-AWEZNQCLSA-N 0 0 330.388 1.592 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccccc1C ZINC000177990268 207427235 /nfs/dbraw/zinc/42/72/35/207427235.db2.gz MNTBUDCQLKLNPP-ZDUSSCGKSA-N 0 0 343.387 1.323 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000178813796 207536531 /nfs/dbraw/zinc/53/65/31/207536531.db2.gz YOFQMVDALDLGNL-AWEZNQCLSA-N 0 0 348.428 1.897 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000179239007 207596000 /nfs/dbraw/zinc/59/60/00/207596000.db2.gz SPDNPHMXSGZCIE-IAQYHMDHSA-N 0 0 343.420 1.900 10 0 EDAERN C/C(=C\C(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1C(F)(F)F ZINC000180211191 207746889 /nfs/dbraw/zinc/74/68/89/207746889.db2.gz GHNZAMSMZXGFFV-AORWBKJGSA-N 0 0 342.317 1.821 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1COc3ccccc31)CC2 ZINC000114948271 220790122 /nfs/dbraw/zinc/79/01/22/220790122.db2.gz RRLNTENKQQQBBL-WCQYABFASA-N 0 0 327.388 1.588 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3cccc4c3OCC(=O)N4)C2)cn1 ZINC000116118449 220931120 /nfs/dbraw/zinc/93/11/20/220931120.db2.gz RGQXXPJVHOXYBK-LLVKDONJSA-N 0 0 326.356 1.381 10 0 EDAERN CCOCCN1CCN(C(=O)CCc2nc(C(C)C)no2)C[C@@H]1C ZINC000117282233 221041055 /nfs/dbraw/zinc/04/10/55/221041055.db2.gz VEYWZGJJTQFVFT-AWEZNQCLSA-N 0 0 338.452 1.695 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC000117369300 221057752 /nfs/dbraw/zinc/05/77/52/221057752.db2.gz JYLMAQUIDHHCKL-ZDUSSCGKSA-N 0 0 330.425 1.308 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117432598 221062574 /nfs/dbraw/zinc/06/25/74/221062574.db2.gz OPHKXKUUMJAGPS-VIFPVBQESA-N 0 0 348.287 1.786 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccc(C(=O)NC)cc2)C[C@H]1C ZINC000117438735 221064933 /nfs/dbraw/zinc/06/49/33/221064933.db2.gz DMKNZVQZJNKSAE-CQSZACIVSA-N 0 0 348.447 1.621 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1C ZINC000117278449 221041775 /nfs/dbraw/zinc/04/17/75/221041775.db2.gz NKNVYIFLHQVLJD-LLVKDONJSA-N 0 0 325.434 1.030 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(-n3cncn3)c2)C[C@H]1C ZINC000117282075 221042530 /nfs/dbraw/zinc/04/25/30/221042530.db2.gz UZQIDNKQIOICIW-OAHLLOKOSA-N 0 0 343.431 1.450 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CCN1CCOC ZINC000117309405 221051363 /nfs/dbraw/zinc/05/13/63/221051363.db2.gz XYDYMFCLMQGDRA-OAHLLOKOSA-N 0 0 344.415 1.919 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000117521687 221073433 /nfs/dbraw/zinc/07/34/33/221073433.db2.gz PMLMBJMMQQWUKK-MRXNPFEDSA-N 0 0 347.459 1.811 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCN(CCOC)[C@H](CC)C2)cc1 ZINC000117526619 221074286 /nfs/dbraw/zinc/07/42/86/221074286.db2.gz WUTFIJIGZINIHY-QGZVFWFLSA-N 0 0 347.459 1.757 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccccc2OC2CCC2)C1 ZINC000118480759 221152450 /nfs/dbraw/zinc/15/24/50/221152450.db2.gz LAWJPCRBKXPUNT-INIZCTEOSA-N 0 0 333.432 1.748 10 0 EDAERN CS(=O)(=O)N1CC2(C1)C[C@@H](CCOc1ccccn1)CCO2 ZINC000247496124 257681446 /nfs/dbraw/zinc/68/14/46/257681446.db2.gz CZIDFRYUYGCFEE-ZDUSSCGKSA-N 0 0 326.418 1.291 10 0 EDAERN CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)cc1 ZINC000027028585 258005560 /nfs/dbraw/zinc/00/55/60/258005560.db2.gz JCSXTBDMLNQDJJ-OLZOCXBDSA-N 0 0 334.401 1.917 10 0 EDAERN COC(=O)C1CCC(C(=O)N(CC(N)=O)Cc2ccccc2)CC1 ZINC000179501110 533271502 /nfs/dbraw/zinc/27/15/02/533271502.db2.gz UVALLOZCCDCOJN-UHFFFAOYSA-N 0 0 332.400 1.480 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(Cl)cc(CO)c1F)[C@@H]1CCOC1 ZINC000167025943 533479430 /nfs/dbraw/zinc/47/94/30/533479430.db2.gz AENHXHITSBRHDE-RKDXNWHRSA-N 0 0 337.800 1.675 10 0 EDAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(N)c1Cl)[C@H](C)CO ZINC000166800895 533483738 /nfs/dbraw/zinc/48/37/38/533483738.db2.gz BZXVAWJTHPEYEO-RNFRBKRXSA-N 0 0 327.233 1.871 10 0 EDAERN COC(=O)CCCS(=O)(=O)N1CCSc2ccc(N)cc21 ZINC000049061963 132430888 /nfs/dbraw/zinc/43/08/88/132430888.db2.gz KKOFBKWCVVZZLO-UHFFFAOYSA-N 0 0 330.431 1.464 10 0 EDAERN CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)O2 ZINC000071447681 132814359 /nfs/dbraw/zinc/81/43/59/132814359.db2.gz IJLXIFGTHFZOIH-QWRGUYRKSA-N 0 0 326.418 1.897 10 0 EDAERN O=C(Nc1nccs1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000009859905 135688576 /nfs/dbraw/zinc/68/85/76/135688576.db2.gz MMTRBZPDKIAZBN-UHFFFAOYSA-N 0 0 334.376 1.570 10 0 EDAERN Cn1nccc1[C@@H]1C[C@H](NS(=O)(=O)NC2CCCC2)CCO1 ZINC000333076407 141259627 /nfs/dbraw/zinc/25/96/27/141259627.db2.gz KZCPISXPBVKQJG-OCCSQVGLSA-N 0 0 328.438 1.007 10 0 EDAERN CC(C)[C@H]1N(S(=O)(=O)c2cnn3c2OCCC3)C[C@@]12CCCO2 ZINC000333145767 141271427 /nfs/dbraw/zinc/27/14/27/141271427.db2.gz KCVLGGREYISVQQ-HIFRSBDPSA-N 0 0 341.433 1.244 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000333158158 141273524 /nfs/dbraw/zinc/27/35/24/141273524.db2.gz HVEGJHGBLDNORD-HRCADAONSA-N 0 0 333.436 1.223 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000333180238 141276870 /nfs/dbraw/zinc/27/68/70/141276870.db2.gz MLYAVVPYZAYGOL-OAHLLOKOSA-N 0 0 346.475 1.848 10 0 EDAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)CCO1 ZINC000333374037 141307814 /nfs/dbraw/zinc/30/78/14/141307814.db2.gz DONDWYLUORTNFJ-SNPRPXQTSA-N 0 0 326.418 1.432 10 0 EDAERN COCC1(S(=O)(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000333423767 141315799 /nfs/dbraw/zinc/31/57/99/141315799.db2.gz MKPTTYDKJWGNPC-UHFFFAOYSA-N 0 0 327.450 1.183 10 0 EDAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@H](n2ccnn2)C1 ZINC000333610977 141344398 /nfs/dbraw/zinc/34/43/98/141344398.db2.gz RZNVLGPQFPOXAH-GXTWGEPZSA-N 0 0 325.372 1.568 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCC(O)(CC)CC)C12CCOCC2 ZINC000185699441 286358635 /nfs/dbraw/zinc/35/86/35/286358635.db2.gz IDDIWXWCJDSWBP-UONOGXRCSA-N 0 0 328.453 1.811 10 0 EDAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCCCCC2)C12CCOCC2 ZINC000185153485 286392627 /nfs/dbraw/zinc/39/26/27/286392627.db2.gz OWSDIUKUXMNZMY-LSDHHAIUSA-N 0 0 346.493 1.671 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000073814526 287265277 /nfs/dbraw/zinc/26/52/77/287265277.db2.gz FBZPYTPMZVIFNH-CABCVRRESA-N 0 0 335.452 1.562 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)Cn1ccnc1C ZINC000073949738 287266369 /nfs/dbraw/zinc/26/63/69/287266369.db2.gz DQCMPHQDQGXULO-ZBFHGGJFSA-N 0 0 349.479 1.870 10 0 EDAERN C[C@H]1C[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1 ZINC000167352061 226187079 /nfs/dbraw/zinc/18/70/79/226187079.db2.gz WCFOMAZAUIXTBG-NTSWFWBYSA-N 0 0 337.195 1.075 10 0 EDAERN O=C(COc1ccc(Br)cc1F)N1CCOC[C@@H]1CO ZINC000168511993 226218130 /nfs/dbraw/zinc/21/81/30/226218130.db2.gz MTRXZXHBKUZHMQ-JTQLQIEISA-N 0 0 348.168 1.187 10 0 EDAERN O=C1CN(Cc2cncc(Br)c2)C(=O)C2(CCCC2)N1 ZINC000168907631 226227055 /nfs/dbraw/zinc/22/70/55/226227055.db2.gz OSDRGLUTGGNENR-UHFFFAOYSA-N 0 0 338.205 1.615 10 0 EDAERN COC(=O)[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccccc1 ZINC000122111631 222016898 /nfs/dbraw/zinc/01/68/98/222016898.db2.gz NBCQUEMVRBTFQZ-MRXNPFEDSA-N 0 0 326.352 1.447 10 0 EDAERN CC(C)(C)c1ncc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)cn1 ZINC000123225087 222238042 /nfs/dbraw/zinc/23/80/42/222238042.db2.gz XNXZHJLRMKXXME-CYBMUJFWSA-N 0 0 340.383 1.963 10 0 EDAERN CCC[C@@H](CCO)CNC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000176161143 272937701 /nfs/dbraw/zinc/93/77/01/272937701.db2.gz QXIBSFUALXGXSA-UONOGXRCSA-N 0 0 334.482 1.106 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000246831100 287752098 /nfs/dbraw/zinc/75/20/98/287752098.db2.gz BVWHDIUPCCBSJU-MELADBBJSA-N 0 0 326.437 1.911 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](C)N2CCOCC2)C1(CC)CC ZINC000247074970 287757392 /nfs/dbraw/zinc/75/73/92/287757392.db2.gz OWZLPWHWJMTGBZ-HRCADAONSA-N 0 0 341.496 1.990 10 0 EDAERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247186854 287759287 /nfs/dbraw/zinc/75/92/87/287759287.db2.gz SJSWNIZQWUGIBX-KSZLIROESA-N 0 0 329.444 1.906 10 0 EDAERN COCCN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C[C@H]1C ZINC000105832543 277225448 /nfs/dbraw/zinc/22/54/48/277225448.db2.gz LEBLAEVRDCXCHL-QAPCUYQASA-N 0 0 331.460 1.659 10 0 EDAERN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000189932853 279184149 /nfs/dbraw/zinc/18/41/49/279184149.db2.gz JXBFLMAXTNDRQA-CQSZACIVSA-N 0 0 328.372 1.103 10 0 EDAERN CC(C)[C@H](C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O ZINC000020468367 280149956 /nfs/dbraw/zinc/14/99/56/280149956.db2.gz FFQPWTBSVMAPGU-OAHLLOKOSA-N 0 0 329.400 1.081 10 0 EDAERN COc1ccc(Br)c([C@H]2NC(=O)[C@@H]3COCCN32)c1 ZINC000093884937 295076464 /nfs/dbraw/zinc/07/64/64/295076464.db2.gz TYQKDEYNISIXPP-RYUDHWBXSA-N 0 0 327.178 1.287 10 0 EDAERN CC(=O)N1CCC[C@@H](CNC(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000332943145 303791705 /nfs/dbraw/zinc/79/17/05/303791705.db2.gz KZLLELWAQYBMLC-HOTGVXAUSA-N 0 0 333.436 1.316 10 0 EDAERN Cn1cc(/C=C2\N=C(SCC(N)=O)N(c3ccccc3)C2=O)cn1 ZINC000002785901 440876768 /nfs/dbraw/zinc/87/67/68/440876768.db2.gz GISAPRPVJNDNGS-QPEQYQDCSA-N 0 0 341.396 1.382 10 0 EDAERN CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000005965127 440976096 /nfs/dbraw/zinc/97/60/96/440976096.db2.gz ZVKIQMLVOPYBRU-AXVVYFOYSA-N 0 0 341.407 1.964 10 0 EDAERN CCN(CCCNC(=O)N[C@@H](C)c1cccs1)S(C)(=O)=O ZINC000057149972 441092814 /nfs/dbraw/zinc/09/28/14/441092814.db2.gz KLVZOGSYQYOKJY-NSHDSACASA-N 0 0 333.479 1.780 10 0 EDAERN C[C@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)N1CCOCC1 ZINC000046258806 441095916 /nfs/dbraw/zinc/09/59/16/441095916.db2.gz ZOEWGVIQCXMBSQ-CHWSQXEVSA-N 0 0 346.431 1.262 10 0 EDAERN COC[C@@H](C)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000103435477 441181277 /nfs/dbraw/zinc/18/12/77/441181277.db2.gz YWSZIDWGWIVQEW-CQSZACIVSA-N 0 0 328.453 1.439 10 0 EDAERN C[C@H](NC(=O)N[C@H]1CCCCNC1=O)c1cccc(-n2ccnc2)c1 ZINC000080634742 441185427 /nfs/dbraw/zinc/18/54/27/441185427.db2.gz RDOUOHARTUNVHU-BBRMVZONSA-N 0 0 341.415 1.901 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)CCNS(=O)(=O)c2cccnc2)o1 ZINC000047431546 441187298 /nfs/dbraw/zinc/18/72/98/441187298.db2.gz CHQVAUDXMJINHK-LBPRGKRZSA-N 0 0 337.401 1.529 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(OC)nc2)C1 ZINC000101778516 441162221 /nfs/dbraw/zinc/16/22/21/441162221.db2.gz VGYNIBYADCIMNG-CQSZACIVSA-N 0 0 334.420 1.681 10 0 EDAERN O=C([O-])C[N@@H+]1CCC[C@]2(C(=O)[O-])C[NH+](CCc3ccccc3)CC[C@@H]12 ZINC000072432162 441230795 /nfs/dbraw/zinc/23/07/95/441230795.db2.gz HOEZVNYVKGPLLM-APWZRJJASA-N 0 0 346.427 1.555 10 0 EDAERN O=C(CC1CCCC1)NCCNC(=O)Nc1ccc(Cl)nn1 ZINC000071912121 441195033 /nfs/dbraw/zinc/19/50/33/441195033.db2.gz LKGGHZZCMFXMPM-UHFFFAOYSA-N 0 0 325.800 1.948 10 0 EDAERN CCOc1c(=O)c(=O)c1N1CC[C@@H](c2cc(OC)ccc2OC)C1 ZINC000015768327 441210308 /nfs/dbraw/zinc/21/03/08/441210308.db2.gz RGLJOLUMCKCJAO-LLVKDONJSA-N 0 0 331.368 1.692 10 0 EDAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C)c1ccsc1 ZINC000061363626 441269898 /nfs/dbraw/zinc/26/98/98/441269898.db2.gz OPSQJVDTECLQKF-MRVPVSSYSA-N 0 0 329.403 1.687 10 0 EDAERN CN(c1cccnn1)C1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000105806195 441274642 /nfs/dbraw/zinc/27/46/42/441274642.db2.gz NPBPGAUOKZMHDW-UHFFFAOYSA-N 0 0 331.342 1.056 10 0 EDAERN COCCN1CCN(CC(=O)NCCC2CCCCC2)C[C@H]1C ZINC000105833923 441286795 /nfs/dbraw/zinc/28/67/95/441286795.db2.gz NFYCHWNPAMZDKR-MRXNPFEDSA-N 0 0 325.497 1.726 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1ccccc1 ZINC000048344739 441296449 /nfs/dbraw/zinc/29/64/49/441296449.db2.gz YFPYHZKBQSIJFC-WFASDCNBSA-N 0 0 344.367 1.819 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000048699978 441325661 /nfs/dbraw/zinc/32/56/61/441325661.db2.gz WXVYKOMJHUNCJM-VIFPVBQESA-N 0 0 330.381 1.328 10 0 EDAERN COCc1cccc(CNC(=O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000105898992 441312344 /nfs/dbraw/zinc/31/23/44/441312344.db2.gz UCGGVVGEMKQXOV-QGZVFWFLSA-N 0 0 343.431 1.378 10 0 EDAERN CCCCCNC(=O)CN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105916602 441316579 /nfs/dbraw/zinc/31/65/79/441316579.db2.gz BMZBAQUEHBRBML-AWEZNQCLSA-N 0 0 337.468 1.617 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC)C(=O)OC ZINC000084370888 441394998 /nfs/dbraw/zinc/39/49/98/441394998.db2.gz HIAVWLPCBMQQIM-QEJZJMRPSA-N 0 0 334.416 1.899 10 0 EDAERN Cc1nccn1[C@H](C)CC(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 ZINC000065462791 441439305 /nfs/dbraw/zinc/43/93/05/441439305.db2.gz YHJOPUBJSLZQNB-GFCCVEGCSA-N 0 0 343.431 1.172 10 0 EDAERN CCc1nc2n(n1)C[C@H](Nc1cncc(-n3nc(C)cc3C)n1)CC2 ZINC000108948879 441482989 /nfs/dbraw/zinc/48/29/89/441482989.db2.gz AAARKQDOPXKIQG-CYBMUJFWSA-N 0 0 338.419 1.860 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(OC)ccc1F ZINC000088211442 441496574 /nfs/dbraw/zinc/49/65/74/441496574.db2.gz SWCORLAOYHJQBO-CQSZACIVSA-N 0 0 344.408 1.977 10 0 EDAERN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000031546046 441528809 /nfs/dbraw/zinc/52/88/09/441528809.db2.gz HCNRAWWTFJFMJC-ZDUSSCGKSA-N 0 0 348.424 1.899 10 0 EDAERN COc1cccc(CNC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)n1 ZINC000112136477 441545466 /nfs/dbraw/zinc/54/54/66/441545466.db2.gz HVHQCBLZCGQMME-OAHLLOKOSA-N 0 0 345.403 1.206 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)n1 ZINC000113183126 441586157 /nfs/dbraw/zinc/58/61/57/441586157.db2.gz NLVOHLBAUQHAKV-RDJZCZTQSA-N 0 0 341.411 1.904 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)Nc3ccccn3)CC2)n1 ZINC000113361724 441602840 /nfs/dbraw/zinc/60/28/40/441602840.db2.gz WNTYOGOXXAADDG-UHFFFAOYSA-N 0 0 328.376 1.624 10 0 EDAERN CCN(C(=O)N[C@H]1COc2ccccc21)[C@@H](C)CS(=O)(=O)CC ZINC000113384439 441604855 /nfs/dbraw/zinc/60/48/55/441604855.db2.gz YQIMCVQYBREILN-JSGCOSHPSA-N 0 0 340.445 1.975 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000090473755 441631031 /nfs/dbraw/zinc/63/10/31/441631031.db2.gz LURMNDNMZPCFLI-UHFFFAOYSA-N 0 0 335.429 1.993 10 0 EDAERN COC(=O)C1(NC(=O)CN2CCCC[C@@H]2c2cn[nH]c2)CCCCC1 ZINC000114482040 441663099 /nfs/dbraw/zinc/66/30/99/441663099.db2.gz FSKNTHUMKKAMCF-OAHLLOKOSA-N 0 0 348.447 1.929 10 0 EDAERN CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)NC(N)=O ZINC000056092432 441688857 /nfs/dbraw/zinc/68/88/57/441688857.db2.gz QUNUNSFDMJBSBN-MRVPVSSYSA-N 0 0 326.784 1.475 10 0 EDAERN Cc1csc(-c2cc(C(=O)NCc3ccn(C)n3)nc(N)n2)n1 ZINC000114864510 441693096 /nfs/dbraw/zinc/69/30/96/441693096.db2.gz DVRQZFOJZQVLNK-UHFFFAOYSA-N 0 0 329.389 1.154 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(F)ccc1C)CC2 ZINC000114874361 441694564 /nfs/dbraw/zinc/69/45/64/441694564.db2.gz GUGPIHHYSDQILR-LBPRGKRZSA-N 0 0 338.408 1.581 10 0 EDAERN Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000115207157 441718237 /nfs/dbraw/zinc/71/82/37/441718237.db2.gz CRHNPGKPHONAHT-WMZOPIPTSA-N 0 0 340.427 1.954 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)nc1 ZINC000115205220 441718274 /nfs/dbraw/zinc/71/82/74/441718274.db2.gz QTNOQLCWGRWKMZ-XJKSGUPXSA-N 0 0 327.388 1.672 10 0 EDAERN COC(=O)Cn1ccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000173292645 441705062 /nfs/dbraw/zinc/70/50/62/441705062.db2.gz MOWHPNNOIHMROS-GFCCVEGCSA-N 0 0 332.364 1.159 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)CN1CCOCC1 ZINC000114587610 441668599 /nfs/dbraw/zinc/66/85/99/441668599.db2.gz XSGHMNMDUUVLCL-CJNGLKHVSA-N 0 0 349.479 1.604 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)CN1CCOCC1 ZINC000114587612 441668833 /nfs/dbraw/zinc/66/88/33/441668833.db2.gz XSGHMNMDUUVLCL-CZUORRHYSA-N 0 0 349.479 1.604 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)n1 ZINC000173497271 441768766 /nfs/dbraw/zinc/76/87/66/441768766.db2.gz FECQPVGWUFTWIV-OLZOCXBDSA-N 0 0 346.460 1.947 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000115389721 441735482 /nfs/dbraw/zinc/73/54/82/441735482.db2.gz NIWYMSDXKUUAHB-UHFFFAOYSA-N 0 0 329.404 1.096 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CCCOC)ncn1 ZINC000173427303 441747758 /nfs/dbraw/zinc/74/77/58/441747758.db2.gz REHQGCVGINVGIV-CYBMUJFWSA-N 0 0 336.440 1.165 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)nc2)ncn1 ZINC000173443150 441752327 /nfs/dbraw/zinc/75/23/27/441752327.db2.gz UJVJZPBEFSRRDR-GFCCVEGCSA-N 0 0 346.822 1.966 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3cc(F)ccc3C)CCO2)[nH]1 ZINC000173354501 441721614 /nfs/dbraw/zinc/72/16/14/441721614.db2.gz NKMOAXDBFOOJDB-NHYWBVRUSA-N 0 0 347.394 1.961 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3cnn(C)c3)CC2)cs1 ZINC000116423954 441820519 /nfs/dbraw/zinc/82/05/19/441820519.db2.gz VZKNJQFQWJWJHI-UHFFFAOYSA-N 0 0 348.476 1.603 10 0 EDAERN CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000121825048 441788741 /nfs/dbraw/zinc/78/87/41/441788741.db2.gz SJBLXXWWYDWTCO-LBPRGKRZSA-N 0 0 327.375 1.996 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(F)ccc3OC)CCO2)[nH]1 ZINC000173554963 441789040 /nfs/dbraw/zinc/78/90/40/441789040.db2.gz LQNDVQYNVKFOSU-ZDUSSCGKSA-N 0 0 334.351 1.729 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)COc3ccccc3CC)CCO2)[nH]1 ZINC000173559663 441791446 /nfs/dbraw/zinc/79/14/46/441791446.db2.gz QJEAVPYAWVKQEK-HNNXBMFYSA-N 0 0 344.415 1.908 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)[nH]1 ZINC000173562256 441792581 /nfs/dbraw/zinc/79/25/81/441792581.db2.gz UNHAYCHBJGUQFJ-NSHDSACASA-N 0 0 348.407 1.406 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)COc3ccc(C)cc3C)CCO2)[nH]1 ZINC000173563459 441792870 /nfs/dbraw/zinc/79/28/70/441792870.db2.gz HZOZVXBCKWEEFQ-HNNXBMFYSA-N 0 0 344.415 1.963 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)[C@H](C)c3c(C)noc3C)CCO2)[nH]1 ZINC000173568667 441794280 /nfs/dbraw/zinc/79/42/80/441794280.db2.gz KAENDJRVHFJJME-BXKDBHETSA-N 0 0 333.392 1.676 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cc(C(C)=O)cn3C)CCO2)[nH]1 ZINC000173566796 441794293 /nfs/dbraw/zinc/79/42/93/441794293.db2.gz KJSHWVPRZUUFNP-CYBMUJFWSA-N 0 0 331.376 1.122 10 0 EDAERN COc1ccc(OC)c(CC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116121126 441794951 /nfs/dbraw/zinc/79/49/51/441794951.db2.gz FHLFQTNQGXCWMK-CYBMUJFWSA-N 0 0 329.400 1.996 10 0 EDAERN COc1ccc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)cc1OC ZINC000116322000 441813185 /nfs/dbraw/zinc/81/31/85/441813185.db2.gz LVLCPPZUJUFQAU-ZDUSSCGKSA-N 0 0 344.415 1.865 10 0 EDAERN O=C(Nc1ccc(-c2ncon2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173900429 441859063 /nfs/dbraw/zinc/85/90/63/441859063.db2.gz RPMQVJPJPNBHCF-OAHLLOKOSA-N 0 0 343.387 1.675 10 0 EDAERN O=C(N[C@@H](CCCO)c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173911416 441860078 /nfs/dbraw/zinc/86/00/78/441860078.db2.gz DCXIPPNTXIJKRC-MSOLQXFVSA-N 0 0 347.459 1.616 10 0 EDAERN Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)[N-]OCc3ccccc3)C2)no1 ZINC000093171819 441862700 /nfs/dbraw/zinc/86/27/00/441862700.db2.gz YCVWBVYWKAOLEM-INIZCTEOSA-N 0 0 344.415 1.881 10 0 EDAERN COCCN1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C[C@@H]1C ZINC000117285262 441867255 /nfs/dbraw/zinc/86/72/55/441867255.db2.gz PQVTWHYMQOJCMB-INIZCTEOSA-N 0 0 342.443 1.973 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000117522547 441874856 /nfs/dbraw/zinc/87/48/56/441874856.db2.gz PQAKLGILMWPEFM-OAHLLOKOSA-N 0 0 333.432 1.421 10 0 EDAERN Cc1cccc(C)c1NCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173972150 441872276 /nfs/dbraw/zinc/87/22/76/441872276.db2.gz FBITWTYXUUJCPW-DLBZAZTESA-N 0 0 331.460 1.894 10 0 EDAERN O=C(NC1CCCC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117399844 441872533 /nfs/dbraw/zinc/87/25/33/441872533.db2.gz PAGDZTKKBAIXEB-KRWDZBQOSA-N 0 0 347.459 1.696 10 0 EDAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3ccccc3C)CCO2)[nH]1 ZINC000173684874 441823766 /nfs/dbraw/zinc/82/37/66/441823766.db2.gz GSZBVGYZHJAXFQ-HOCLYGCPSA-N 0 0 332.404 1.235 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116479613 441825826 /nfs/dbraw/zinc/82/58/26/441825826.db2.gz VKWUZKDVAKISKO-CYBMUJFWSA-N 0 0 327.388 1.801 10 0 EDAERN CCc1nc(C2(NCC(=O)NC(=O)NC3CCCC3)CCCC2)no1 ZINC000173694143 441825891 /nfs/dbraw/zinc/82/58/91/441825891.db2.gz QWPNNNUESXDFAX-UHFFFAOYSA-N 0 0 349.435 1.759 10 0 EDAERN CN1C(=O)C[C@H](C(=O)N2CCC(C(N)=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000122012923 441828762 /nfs/dbraw/zinc/82/87/62/441828762.db2.gz APNGXQGJGXNRPO-HOCLYGCPSA-N 0 0 347.390 1.069 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@@H](n2cncn2)C1 ZINC000173985062 441873411 /nfs/dbraw/zinc/87/34/11/441873411.db2.gz ZWPJYENLKXVPEW-SNVBAGLBSA-N 0 0 327.797 1.352 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)C[C@H]1N1CCOCC1 ZINC000173840910 441848039 /nfs/dbraw/zinc/84/80/39/441848039.db2.gz MLUPZZVHBKTKTD-MAUKXSAKSA-N 0 0 340.427 1.665 10 0 EDAERN CCc1nn(C)c(CC)c1CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000122517790 441852786 /nfs/dbraw/zinc/85/27/86/441852786.db2.gz GJYNRPPFXOAQRA-HNNXBMFYSA-N 0 0 331.464 1.951 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3cccc(O)c3)CC2)no1 ZINC000174197707 441902001 /nfs/dbraw/zinc/90/20/01/441902001.db2.gz IEVQMMRUJCYVDO-UHFFFAOYSA-N 0 0 345.403 1.501 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000119041820 441914180 /nfs/dbraw/zinc/91/41/80/441914180.db2.gz VUSHZSARUMRHIN-CQSZACIVSA-N 0 0 337.387 1.496 10 0 EDAERN Cc1cnn(CCNC(=O)c2cnn(C)c2-n2c(C)ccc2C)c1 ZINC000117813009 441879913 /nfs/dbraw/zinc/87/99/13/441879913.db2.gz SALWNERTPXMSAK-UHFFFAOYSA-N 0 0 326.404 1.763 10 0 EDAERN CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000123339965 441884672 /nfs/dbraw/zinc/88/46/72/441884672.db2.gz HYPSZIJMCZKYSB-GOEBONIOSA-N 0 0 331.416 1.710 10 0 EDAERN Cc1cnn(CCNC(=O)NCCN2CCc3sccc3C2)c1 ZINC000118064869 441884700 /nfs/dbraw/zinc/88/47/00/441884700.db2.gz ZLPNMTSRPMPXTG-UHFFFAOYSA-N 0 0 333.461 1.611 10 0 EDAERN CC(C)n1nccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123400764 441886153 /nfs/dbraw/zinc/88/61/53/441886153.db2.gz LFWDVWIYZXPBAG-CXAGYDPISA-N 0 0 334.420 1.556 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000118115711 441889894 /nfs/dbraw/zinc/88/98/94/441889894.db2.gz FEJUIRDXEBMZRZ-INIZCTEOSA-N 0 0 327.384 1.225 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccccc1OC ZINC000078779503 441971228 /nfs/dbraw/zinc/97/12/28/441971228.db2.gz FQKPUNIWCJSDJM-HNNXBMFYSA-N 0 0 334.416 1.681 10 0 EDAERN CC(C)NC(=O)CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000096000322 441976644 /nfs/dbraw/zinc/97/66/44/441976644.db2.gz LSHOERGHFBEPGU-CQSZACIVSA-N 0 0 330.388 1.635 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3ncnc32)cs1 ZINC000119436802 441934569 /nfs/dbraw/zinc/93/45/69/441934569.db2.gz YJNZBKBRWGZZFN-SECBINFHSA-N 0 0 326.403 1.008 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)CN2CSCC2=O)C12CCCC2 ZINC000150814746 441955690 /nfs/dbraw/zinc/95/56/90/441955690.db2.gz UYASUMYCVWCAFY-STQMWFEESA-N 0 0 326.462 1.716 10 0 EDAERN CCc1cnc(CNC(=O)N[C@H]2CCc3nc(CC)nn3C2)s1 ZINC000174966011 441990056 /nfs/dbraw/zinc/99/00/56/441990056.db2.gz KFUWYIRHXCERSV-JTQLQIEISA-N 0 0 334.449 1.674 10 0 EDAERN C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1ccccc1F ZINC000175116680 442006434 /nfs/dbraw/zinc/00/64/34/442006434.db2.gz AISIDMBZUQIMIO-NEPJUHHUSA-N 0 0 333.367 1.499 10 0 EDAERN CCc1ccc([C@H](COC)NC(=O)N[C@@H]2CCc3ncnn3C2)o1 ZINC000175118276 442007531 /nfs/dbraw/zinc/00/75/31/442007531.db2.gz NDKAOPZWPOFUOF-YPMHNXCESA-N 0 0 333.392 1.435 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)C[C@@H]1CCCOC1)CC2 ZINC000161567755 442012604 /nfs/dbraw/zinc/01/26/04/442012604.db2.gz UIIRIJVXJCSIBL-KBPBESRZSA-N 0 0 335.452 1.784 10 0 EDAERN CCC[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)OC(C)(C)C ZINC000161611046 442016590 /nfs/dbraw/zinc/01/65/90/442016590.db2.gz FFHQMJFEWXNHQD-UONOGXRCSA-N 0 0 326.437 1.872 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000151204459 442024289 /nfs/dbraw/zinc/02/42/89/442024289.db2.gz AGXIEHDDEXQQBI-GJZGRUSLSA-N 0 0 346.435 1.080 10 0 EDAERN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000120305984 442046461 /nfs/dbraw/zinc/04/64/61/442046461.db2.gz ZDYPDYKTCHOOMQ-WFASDCNBSA-N 0 0 336.436 1.511 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000175430398 442062020 /nfs/dbraw/zinc/06/20/20/442062020.db2.gz WWHPPRVVFVGKKD-INIZCTEOSA-N 0 0 344.390 1.752 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NCC(=O)N1CCCCC1 ZINC000175497662 442075269 /nfs/dbraw/zinc/07/52/69/442075269.db2.gz IGCMTUMFPXVPOK-HNNXBMFYSA-N 0 0 333.432 1.903 10 0 EDAERN CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1ccccc1C)CC2 ZINC000162951138 442133285 /nfs/dbraw/zinc/13/32/85/442133285.db2.gz SWDMNOKFHLQNLN-CXAGYDPISA-N 0 0 328.416 1.968 10 0 EDAERN C[C@H](Nc1ncnc2ncccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000162989358 442136640 /nfs/dbraw/zinc/13/66/40/442136640.db2.gz XVDCECWTXJGRHE-JTQLQIEISA-N 0 0 329.385 1.845 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175924501 442146578 /nfs/dbraw/zinc/14/65/78/442146578.db2.gz ZEXWBUCLIWVFAH-UKRRQHHQSA-N 0 0 335.452 1.670 10 0 EDAERN CCOc1cccc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175660361 442100577 /nfs/dbraw/zinc/10/05/77/442100577.db2.gz ZIYCEDNQUAXCOL-CRAIPNDOSA-N 0 0 347.459 1.947 10 0 EDAERN COCc1cccc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175665362 442102086 /nfs/dbraw/zinc/10/20/86/442102086.db2.gz UUJXNIGIWSNAGP-MAUKXSAKSA-N 0 0 347.459 1.695 10 0 EDAERN C[C@H]1CN(C(=O)NCc2cccnc2N(C)C)C[C@@H]1N1CCOCC1 ZINC000175667832 442102459 /nfs/dbraw/zinc/10/24/59/442102459.db2.gz LYLJCDATLOHMDD-HOCLYGCPSA-N 0 0 347.463 1.010 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C)nc3)C2)c1 ZINC000120615465 442105563 /nfs/dbraw/zinc/10/55/63/442105563.db2.gz GFYZFRBJUBZMDF-HNNXBMFYSA-N 0 0 327.388 1.697 10 0 EDAERN CN(C(=O)NCCCn1cccn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000152119318 442167654 /nfs/dbraw/zinc/16/76/54/442167654.db2.gz GLCVSIGGNISTBD-HNNXBMFYSA-N 0 0 343.435 1.374 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000163578344 442175027 /nfs/dbraw/zinc/17/50/27/442175027.db2.gz QYDGNIGBLXFWSB-SNVBAGLBSA-N 0 0 344.289 1.597 10 0 EDAERN CN1CCO[C@@H](CNC(=O)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000163931078 442186553 /nfs/dbraw/zinc/18/65/53/442186553.db2.gz HOFNIRYQKLHFKD-ZDUSSCGKSA-N 0 0 332.322 1.575 10 0 EDAERN CN(C)c1cccc(CNC(=O)N2CCC(c3ccnn3C)CC2)n1 ZINC000164294294 442194119 /nfs/dbraw/zinc/19/41/19/442194119.db2.gz FCQQLHRWBGETCA-UHFFFAOYSA-N 0 0 342.447 1.970 10 0 EDAERN O=C(Nc1cccc(SC(F)F)c1)C(=O)N1CCC[C@H]1CO ZINC000120909792 442151456 /nfs/dbraw/zinc/15/14/56/442151456.db2.gz QULTWSQESWTYIQ-JTQLQIEISA-N 0 0 330.356 1.923 10 0 EDAERN CC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000097021218 442156156 /nfs/dbraw/zinc/15/61/56/442156156.db2.gz QBOTZZOCJVOTAF-AWEZNQCLSA-N 0 0 336.417 1.701 10 0 EDAERN O=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CCCC[C@@H]1CO ZINC000176002467 442160297 /nfs/dbraw/zinc/16/02/97/442160297.db2.gz DJBVIYLLOFCZIP-HZPDHXFCSA-N 0 0 345.443 1.816 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000163368212 442161305 /nfs/dbraw/zinc/16/13/05/442161305.db2.gz CZPHYJMVMGJMGS-MAUKXSAKSA-N 0 0 339.480 1.972 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cccc(N(C)C)n2)C[C@@H]1C ZINC000152895605 442250062 /nfs/dbraw/zinc/25/00/62/442250062.db2.gz FLRNJCYCFIYSAB-AWEZNQCLSA-N 0 0 335.452 1.722 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000176307897 442208330 /nfs/dbraw/zinc/20/83/30/442208330.db2.gz MMAACFHNKSSAAO-CQSZACIVSA-N 0 0 343.387 1.010 10 0 EDAERN C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000127513502 442208618 /nfs/dbraw/zinc/20/86/18/442208618.db2.gz CVEHGHTVMKISLE-NSHDSACASA-N 0 0 334.397 1.460 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)c1cccc(C)c1)CC2 ZINC000152444002 442213837 /nfs/dbraw/zinc/21/38/37/442213837.db2.gz JYBDWFGTGRLSIP-HUUCEWRRSA-N 0 0 343.431 1.497 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000166847217 442218189 /nfs/dbraw/zinc/21/81/89/442218189.db2.gz DMUFXTNGNPXOPC-LLVKDONJSA-N 0 0 345.733 1.294 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000166768835 442218395 /nfs/dbraw/zinc/21/83/95/442218395.db2.gz RYGKLBJNEUXCSQ-OAHLLOKOSA-N 0 0 325.368 1.515 10 0 EDAERN COCCN1CCN(C(=O)NCCOCc2ccccc2)C[C@H]1C ZINC000176444750 442223091 /nfs/dbraw/zinc/22/30/91/442223091.db2.gz BCZPHMMUEMRJEU-MRXNPFEDSA-N 0 0 335.448 1.565 10 0 EDAERN COc1ccc(CCNC(=O)[C@H]2CCc3n[nH]nc3C2)cc1OC ZINC000170240161 442229938 /nfs/dbraw/zinc/22/99/38/442229938.db2.gz NTFCPHFRNUBJLW-LBPRGKRZSA-N 0 0 330.388 1.286 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cnn1C ZINC000176557194 442233621 /nfs/dbraw/zinc/23/36/21/442233621.db2.gz FKMOIAJOIQXGQI-ZJUUUORDSA-N 0 0 332.326 1.904 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000176563463 442234852 /nfs/dbraw/zinc/23/48/52/442234852.db2.gz MJCBMFMZNAWQTH-DBSNISEYSA-N 0 0 349.460 1.769 10 0 EDAERN C[C@@H](O)C[C@H]1COCCN1C(=O)c1nc(C2CC2)n2ccccc12 ZINC000152744234 442241309 /nfs/dbraw/zinc/24/13/09/442241309.db2.gz DWUJNVYWDWDBHH-OCCSQVGLSA-N 0 0 329.400 1.824 10 0 EDAERN CCCOCCOC(=O)c1ccnc(N[C@@H]2CCc3ncnn3C2)c1 ZINC000176633757 442242437 /nfs/dbraw/zinc/24/24/37/442242437.db2.gz SPVIMVDTUADYRX-CQSZACIVSA-N 0 0 345.403 1.683 10 0 EDAERN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)[nH]n1 ZINC000152762505 442242504 /nfs/dbraw/zinc/24/25/04/442242504.db2.gz YVFUFUGMIPYYPU-DGCLKSJQSA-N 0 0 345.451 1.678 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)CCCOC)cc1 ZINC000152807494 442245073 /nfs/dbraw/zinc/24/50/73/442245073.db2.gz QNOKSSDACSNFFO-CYBMUJFWSA-N 0 0 342.461 1.382 10 0 EDAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176691398 442246780 /nfs/dbraw/zinc/24/67/80/442246780.db2.gz VALJGWPFZJGCAZ-BXUZGUMPSA-N 0 0 328.376 1.240 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000177149839 442305980 /nfs/dbraw/zinc/30/59/80/442305980.db2.gz VCUFUCGSDPTFCA-KRWDZBQOSA-N 0 0 340.427 1.541 10 0 EDAERN COC(=O)c1cccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000153294764 442273825 /nfs/dbraw/zinc/27/38/25/442273825.db2.gz PFPPBUPIJLRVBN-CQSZACIVSA-N 0 0 343.387 1.707 10 0 EDAERN CC(C)n1ccnc1CS(=O)(=O)c1nnc(N2CCCC2)s1 ZINC000176947680 442276575 /nfs/dbraw/zinc/27/65/75/442276575.db2.gz MSEHYPLNNXOXCZ-UHFFFAOYSA-N 0 0 341.462 1.890 10 0 EDAERN CC(=O)c1cccc(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000176949803 442276967 /nfs/dbraw/zinc/27/69/67/442276967.db2.gz OYZDNAQFGLTLMV-AWEZNQCLSA-N 0 0 329.360 1.921 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CNC(=O)OCC(F)(F)F ZINC000177149413 442305121 /nfs/dbraw/zinc/30/51/21/442305121.db2.gz LZLSDYYNDPNIIC-NSHDSACASA-N 0 0 348.325 1.471 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000176997440 442282748 /nfs/dbraw/zinc/28/27/48/442282748.db2.gz XQRKEHSLDAELJI-NHYWBVRUSA-N 0 0 346.399 1.306 10 0 EDAERN COC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2ncccc2F)C1)C(C)C ZINC000153465356 442283852 /nfs/dbraw/zinc/28/38/52/442283852.db2.gz MNZWVQDJJWWQAD-DGCLKSJQSA-N 0 0 338.383 1.296 10 0 EDAERN O=C(CNC(=O)c1cccc(Cl)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000170896471 442284968 /nfs/dbraw/zinc/28/49/68/442284968.db2.gz AYYUCFOABNZJBV-CQSZACIVSA-N 0 0 347.806 1.525 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(C)cc(F)c1 ZINC000153471914 442285026 /nfs/dbraw/zinc/28/50/26/442285026.db2.gz QENRSIZISXBTSQ-ZDUSSCGKSA-N 0 0 331.351 1.624 10 0 EDAERN C[C@@H](NC(=O)NC[C@](C)(O)c1ccccc1)c1nnc2n1CCCC2 ZINC000153558838 442289523 /nfs/dbraw/zinc/28/95/23/442289523.db2.gz IMLDYZUWPYMTFV-ACJLOTCBSA-N 0 0 343.431 1.882 10 0 EDAERN Cc1cc(C)c(NC(=O)CNC(=O)NC[C@H]2CN(C)CCO2)c(C)c1 ZINC000170924685 442290420 /nfs/dbraw/zinc/29/04/20/442290420.db2.gz JITJKCDIRYWWGP-HNNXBMFYSA-N 0 0 348.447 1.180 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000153767065 442301128 /nfs/dbraw/zinc/30/11/28/442301128.db2.gz JETWFTARPWEUKC-ZDUSSCGKSA-N 0 0 342.355 1.017 10 0 EDAERN Cc1ccccc1[C@@]1(C)NC(=O)N(Cc2nnc(C3CC3)n2C)C1=O ZINC000171047558 442303799 /nfs/dbraw/zinc/30/37/99/442303799.db2.gz YABRHLLAJCIFCB-GOSISDBHSA-N 0 0 339.399 1.968 10 0 EDAERN C[C@@H](CNC(=O)Nc1ccc(-n2ccnn2)cc1)N1CCOCC1 ZINC000171163791 442321697 /nfs/dbraw/zinc/32/16/97/442321697.db2.gz GWIJLGGEWKFDFX-ZDUSSCGKSA-N 0 0 330.392 1.110 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CSCCS3)C2)n1 ZINC000177295677 442325374 /nfs/dbraw/zinc/32/53/74/442325374.db2.gz JHOHWYMYRGQGRG-KBPBESRZSA-N 0 0 340.518 1.982 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccnc1-n1cccn1 ZINC000129804924 442332801 /nfs/dbraw/zinc/33/28/01/442332801.db2.gz MWIBLGZJHFYWRE-LLVKDONJSA-N 0 0 325.328 1.617 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)c3c(C)nn(C)c3C)C2)no1 ZINC000171240971 442332953 /nfs/dbraw/zinc/33/29/53/442332953.db2.gz JCMDZSOIDGQUSQ-ZDUSSCGKSA-N 0 0 345.403 1.392 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000171404008 442345481 /nfs/dbraw/zinc/34/54/81/442345481.db2.gz LCMJXGALJRHYFA-AWEZNQCLSA-N 0 0 349.431 1.933 10 0 EDAERN CCOCCCNC(=O)C1CCN(C(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000154642980 442349426 /nfs/dbraw/zinc/34/94/26/442349426.db2.gz NNNRCVYRNQWNDD-DZGCQCFKSA-N 0 0 326.437 1.335 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3cnc4c(C)cccn34)CCO2)[nH]1 ZINC000129223348 442307033 /nfs/dbraw/zinc/30/70/33/442307033.db2.gz DMVCJXALGCBIBV-CQSZACIVSA-N 0 0 326.404 1.897 10 0 EDAERN CSC[C@@H](C)NC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000153913513 442310864 /nfs/dbraw/zinc/31/08/64/442310864.db2.gz PABBKKVOZTZDAU-OCCSQVGLSA-N 0 0 326.466 1.662 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)NCCCCN2C(=O)c3ccccc3C2=O)O1 ZINC000154006742 442315888 /nfs/dbraw/zinc/31/58/88/442315888.db2.gz HRMWTPTWXXLDHQ-WFASDCNBSA-N 0 0 330.384 1.747 10 0 EDAERN CCCOc1cccc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000154035511 442317936 /nfs/dbraw/zinc/31/79/36/442317936.db2.gz HEEYWVLXQBQWSN-QGZVFWFLSA-N 0 0 332.444 1.951 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000171652170 442367108 /nfs/dbraw/zinc/36/71/08/442367108.db2.gz HGGKLNFCQFVYTF-KRWDZBQOSA-N 0 0 328.416 1.401 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2c(C)ccn(C)c2=O)C[C@@H]1C ZINC000155114739 442375693 /nfs/dbraw/zinc/37/56/93/442375693.db2.gz YSOJWVAGJJCODE-AWEZNQCLSA-N 0 0 336.436 1.268 10 0 EDAERN C[C@H](C(=O)N1[C@H](C)COC[C@@H]1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000155120618 442376497 /nfs/dbraw/zinc/37/64/97/442376497.db2.gz DSVSDAWKLQPUII-OWCLPIDISA-N 0 0 349.450 1.972 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000155147169 442378310 /nfs/dbraw/zinc/37/83/10/442378310.db2.gz DCZABTMQYJUBMP-ZDUSSCGKSA-N 0 0 327.450 1.396 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC(=O)OCC2CC2)[C@H]1c1ccccc1 ZINC000171803002 442382508 /nfs/dbraw/zinc/38/25/08/442382508.db2.gz NFZCXPRLHGZCAX-CRAIPNDOSA-N 0 0 344.411 1.666 10 0 EDAERN O=C(NCc1ccco1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171817445 442383169 /nfs/dbraw/zinc/38/31/69/442383169.db2.gz MHQIAGQSKUNELL-KRWDZBQOSA-N 0 0 329.400 1.840 10 0 EDAERN Cc1cccc(OCCNC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000171816990 442383197 /nfs/dbraw/zinc/38/31/97/442383197.db2.gz NLWLDYNMQBKTKG-KRWDZBQOSA-N 0 0 344.415 1.681 10 0 EDAERN C[C@H]1CN(C(=O)Nc2nnc(C(F)F)s2)C[C@H]1N1CCOCC1 ZINC000177802468 442386507 /nfs/dbraw/zinc/38/65/07/442386507.db2.gz BKUCTUUURXYMCJ-DTWKUNHWSA-N 0 0 347.391 1.660 10 0 EDAERN C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CCS1 ZINC000171571083 442358070 /nfs/dbraw/zinc/35/80/70/442358070.db2.gz RHDQEZKAUYDMNW-KBPBESRZSA-N 0 0 325.478 1.878 10 0 EDAERN O=C(CCc1nc(-c2ccoc2)no1)N[C@H]1CCCn2ncnc21 ZINC000177570386 442358545 /nfs/dbraw/zinc/35/85/45/442358545.db2.gz BKSMAMLNDVLSLF-NSHDSACASA-N 0 0 328.332 1.505 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000171604593 442361572 /nfs/dbraw/zinc/36/15/72/442361572.db2.gz ITFIPRDJIZQHOJ-MRXNPFEDSA-N 0 0 344.390 1.924 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3cccnc3)CCO2)n1 ZINC000171609890 442362176 /nfs/dbraw/zinc/36/21/76/442362176.db2.gz CZBRPCOHSGGBTD-INIZCTEOSA-N 0 0 329.404 1.506 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000178137429 442410271 /nfs/dbraw/zinc/41/02/71/442410271.db2.gz DQFDJKMLQLNBBV-UHFFFAOYSA-N 0 0 345.422 1.858 10 0 EDAERN O=C(NCc1ccoc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172128178 442412432 /nfs/dbraw/zinc/41/24/32/442412432.db2.gz CCGSLPBZPVYIKI-KRWDZBQOSA-N 0 0 329.400 1.840 10 0 EDAERN CCOC(=O)C1(N(C)C[C@@H](O)CN2CCCC2=O)CCCCC1 ZINC000133386651 442415694 /nfs/dbraw/zinc/41/56/94/442415694.db2.gz XGFQUEBLCDXOCZ-CQSZACIVSA-N 0 0 326.437 1.168 10 0 EDAERN COCCCNC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000172218950 442425042 /nfs/dbraw/zinc/42/50/42/442425042.db2.gz DYYDRZIEPTVTFX-UHFFFAOYSA-N 0 0 337.468 1.502 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccccc1OC(F)F)C(C)C ZINC000178414410 442431517 /nfs/dbraw/zinc/43/15/17/442431517.db2.gz RSQKCQVPAQSMIX-GFCCVEGCSA-N 0 0 329.347 1.858 10 0 EDAERN CNC(=O)[C@H](NC(=O)COc1cccc(Br)c1)C(C)C ZINC000178687762 442457387 /nfs/dbraw/zinc/45/73/87/442457387.db2.gz YFZUIQAKJDGTSQ-CYBMUJFWSA-N 0 0 343.221 1.715 10 0 EDAERN Cc1cnn(CCNC(=O)NC2CCN(CC(F)(F)F)CC2)c1 ZINC000172282464 442435091 /nfs/dbraw/zinc/43/50/91/442435091.db2.gz ZAAUDXHFVXJIJY-UHFFFAOYSA-N 0 0 333.358 1.517 10 0 EDAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCOC(C)(C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000133821959 442435864 /nfs/dbraw/zinc/43/58/64/442435864.db2.gz VFPJTFBFQXVMOT-RBSFLKMASA-N 0 0 327.469 1.431 10 0 EDAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000178571341 442444677 /nfs/dbraw/zinc/44/46/77/442444677.db2.gz IUKZNIREFZFHRI-NWDGAFQWSA-N 0 0 336.440 1.279 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cnn(CC(C)C)c2C2CC2)CC1 ZINC000156190074 442453519 /nfs/dbraw/zinc/45/35/19/442453519.db2.gz NIJYEVACYFINDX-INIZCTEOSA-N 0 0 348.491 1.945 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000172604789 442501771 /nfs/dbraw/zinc/50/17/71/442501771.db2.gz XABWVTSIFASHGO-UONOGXRCSA-N 0 0 349.435 1.699 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)cn1 ZINC000191742847 442503761 /nfs/dbraw/zinc/50/37/61/442503761.db2.gz IFMHCDVWMVQTPM-OAHLLOKOSA-N 0 0 326.360 1.388 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H](c1ccccc1)N1CCSCC1)C(C)C ZINC000178860457 442506002 /nfs/dbraw/zinc/50/60/02/442506002.db2.gz SGPRKSSHCQGFIE-HZPDHXFCSA-N 0 0 349.500 1.663 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000179477360 442463359 /nfs/dbraw/zinc/46/33/59/442463359.db2.gz BQOULTLZYJOYGY-JEYLPNPQSA-N 0 0 346.427 1.787 10 0 EDAERN CCn1cc(C2CCN(C(=O)NCCCN3CCCC3=O)CC2)cn1 ZINC000172505009 442475452 /nfs/dbraw/zinc/47/54/52/442475452.db2.gz FJSVOCGIZMCMLX-UHFFFAOYSA-N 0 0 347.463 1.805 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc1F ZINC000186187378 442480253 /nfs/dbraw/zinc/48/02/53/442480253.db2.gz PYAVAFDGKBYEFE-UHFFFAOYSA-N 0 0 326.393 1.423 10 0 EDAERN CCCCN(CCCO)C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000179602520 442480349 /nfs/dbraw/zinc/48/03/49/442480349.db2.gz VJLKTQIYDXVXLW-CYBMUJFWSA-N 0 0 339.440 1.454 10 0 EDAERN O=C(c1cc(-n2cccn2)ccn1)N1CCO[C@H](c2nccs2)C1 ZINC000134899200 442534157 /nfs/dbraw/zinc/53/41/57/442534157.db2.gz GHGHKAUCCKGUSN-AWEZNQCLSA-N 0 0 341.396 1.938 10 0 EDAERN O=C(c1ccc(N2CCCC2)nc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172755988 442535096 /nfs/dbraw/zinc/53/50/96/442535096.db2.gz HEJJRXCWFBVAQF-INIZCTEOSA-N 0 0 330.432 1.229 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)[C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC000172799396 442544830 /nfs/dbraw/zinc/54/48/30/442544830.db2.gz CBISTZWNZDDADK-GJZGRUSLSA-N 0 0 348.447 1.983 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)C(F)(F)C3(O)CCC3)CCO2)cn1 ZINC000191791279 442511172 /nfs/dbraw/zinc/51/11/72/442511172.db2.gz LOOPGSFTDSMFLN-GFCCVEGCSA-N 0 0 329.347 1.353 10 0 EDAERN O=C(CCCCc1c[nH]nn1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000186378494 442522185 /nfs/dbraw/zinc/52/21/85/442522185.db2.gz UKZPWFJBLMHUKG-AWEZNQCLSA-N 0 0 348.428 1.552 10 0 EDAERN CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178919717 442525775 /nfs/dbraw/zinc/52/57/75/442525775.db2.gz GREJWIRNXCUOEO-GFCCVEGCSA-N 0 0 340.811 1.592 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCCCc1c[nH]nn1)CC2 ZINC000186417109 442530022 /nfs/dbraw/zinc/53/00/22/442530022.db2.gz OCFRRNMLPQHFAP-CYBMUJFWSA-N 0 0 331.424 1.364 10 0 EDAERN CC(C)Oc1ccccc1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749906 442532738 /nfs/dbraw/zinc/53/27/38/442532738.db2.gz GARWQHZHTYAVKF-KRWDZBQOSA-N 0 0 332.444 1.949 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)C3CC3)C[C@@H]21 ZINC000186624731 442576485 /nfs/dbraw/zinc/57/64/85/442576485.db2.gz QCFUZPMHGWUPGM-WCFLWFBJSA-N 0 0 330.450 1.714 10 0 EDAERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135327607 442581350 /nfs/dbraw/zinc/58/13/50/442581350.db2.gz KLTOTCPAGNAXAT-CYBMUJFWSA-N 0 0 341.415 1.530 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)N[C@H]3CCOC3)CC2)cn1 ZINC000179150284 442583549 /nfs/dbraw/zinc/58/35/49/442583549.db2.gz YONJUOHVFFCRCB-INIZCTEOSA-N 0 0 335.452 1.299 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)/C=C/c3cccnc3)C2=O)n(C)n1 ZINC000173066867 442598189 /nfs/dbraw/zinc/59/81/89/442598189.db2.gz CHZPEGMHXQRBOQ-KIUWMYQTSA-N 0 0 339.399 1.449 10 0 EDAERN CN(C(=O)[C@@H](O)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000179237153 442602083 /nfs/dbraw/zinc/60/20/83/442602083.db2.gz WVYOQAGFWLPGKA-RDJZCZTQSA-N 0 0 326.400 1.637 10 0 EDAERN O=C1O[C@@H](CN2CCN(C[C@@H](O)c3ccccc3)CC2)CC12CCC2 ZINC000192000453 442560385 /nfs/dbraw/zinc/56/03/85/442560385.db2.gz DXKHNWQSSPVMJO-QZTJIDSGSA-N 0 0 344.455 1.823 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(F)c1 ZINC000180246709 442566197 /nfs/dbraw/zinc/56/61/97/442566197.db2.gz MBYJNLFDHJFNPW-BBRMVZONSA-N 0 0 349.406 1.252 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN[C@@H](c1nccs1)c1ccccc1 ZINC000157999114 442636011 /nfs/dbraw/zinc/63/60/11/442636011.db2.gz TZCMLAXLLILJKQ-GOEBONIOSA-N 0 0 331.441 1.805 10 0 EDAERN COCc1ccc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000192502518 442654678 /nfs/dbraw/zinc/65/46/78/442654678.db2.gz SFRUDGXNYRZDPJ-CQSZACIVSA-N 0 0 331.376 1.865 10 0 EDAERN COc1cc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)ccc1F ZINC000187135824 442654990 /nfs/dbraw/zinc/65/49/90/442654990.db2.gz ZVJIHKIEQKMFEW-CYBMUJFWSA-N 0 0 335.339 1.866 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000192218967 442615464 /nfs/dbraw/zinc/61/54/64/442615464.db2.gz LCKYNLVTSBEYNS-XPLICSAQSA-N 0 0 328.771 1.638 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000180523401 442616713 /nfs/dbraw/zinc/61/67/13/442616713.db2.gz JNLMRGISTLYVRQ-LBPRGKRZSA-N 0 0 346.349 1.940 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC1(CCOC)CCC1)CC2 ZINC000135608389 442616774 /nfs/dbraw/zinc/61/67/74/442616774.db2.gz RADYDCLGDGMDTG-CYBMUJFWSA-N 0 0 335.452 1.661 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC1(CCOC)CCC1)CC2 ZINC000135608411 442616979 /nfs/dbraw/zinc/61/69/79/442616979.db2.gz RADYDCLGDGMDTG-ZDUSSCGKSA-N 0 0 335.452 1.661 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCN3CCC[C@H]3C2)c1C ZINC000179342406 442625674 /nfs/dbraw/zinc/62/56/74/442625674.db2.gz HIMKVXIFPBQWJX-AWEZNQCLSA-N 0 0 336.457 1.627 10 0 EDAERN COC(C)(C)CNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000173239335 442630788 /nfs/dbraw/zinc/63/07/88/442630788.db2.gz BFIALOJRALYWRD-UHFFFAOYSA-N 0 0 326.466 1.704 10 0 EDAERN COC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192523370 442657707 /nfs/dbraw/zinc/65/77/07/442657707.db2.gz IISPCRATFHGRSD-AWEZNQCLSA-N 0 0 329.393 1.627 10 0 EDAERN COCc1cc(NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)ncn1 ZINC000181024060 442675019 /nfs/dbraw/zinc/67/50/19/442675019.db2.gz XLBGKBNTPOCMTE-LLVKDONJSA-N 0 0 345.407 1.474 10 0 EDAERN CN(C)c1noc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000192705940 442678458 /nfs/dbraw/zinc/67/84/58/442678458.db2.gz DYIDOUNBOCTDDB-GFCCVEGCSA-N 0 0 331.424 1.791 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C)c(O)c3)CC2)n1 ZINC000181063769 442678860 /nfs/dbraw/zinc/67/88/60/442678860.db2.gz GMXTVOJQNYHHGH-GFCCVEGCSA-N 0 0 330.388 1.911 10 0 EDAERN CCN1CCN(CC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)C(=O)C1=O ZINC000181104443 442680686 /nfs/dbraw/zinc/68/06/86/442680686.db2.gz BJEKBSSAEVJNPK-CXAGYDPISA-N 0 0 343.427 1.035 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000187640380 442684088 /nfs/dbraw/zinc/68/40/88/442684088.db2.gz ZICGTKRSEGZJEW-SMDDNHRTSA-N 0 0 336.354 1.815 10 0 EDAERN OC[C@@H]1CCCN1c1cc(N2CC(O)(c3ccc(F)cc3)C2)ncn1 ZINC000192785682 442686412 /nfs/dbraw/zinc/68/64/12/442686412.db2.gz RNWSLFGEYNPPFV-HNNXBMFYSA-N 0 0 344.390 1.285 10 0 EDAERN C[C@H](C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1)N1CCSCC1 ZINC000187761526 442691166 /nfs/dbraw/zinc/69/11/66/442691166.db2.gz CWWQIZSVFGHAGU-YUELXQCFSA-N 0 0 340.514 1.720 10 0 EDAERN c1ncn(C[C@H]2CCCN(Cc3nnc(C4CC4)n3C3CC3)C2)n1 ZINC000181341803 442691512 /nfs/dbraw/zinc/69/15/12/442691512.db2.gz XQJJQBXWPQXDFS-ZDUSSCGKSA-N 0 0 327.436 1.994 10 0 EDAERN COC(=O)c1occc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192978946 442703088 /nfs/dbraw/zinc/70/30/88/442703088.db2.gz DDXIRVTYOHGXJK-JTQLQIEISA-N 0 0 338.385 1.564 10 0 EDAERN CN(C(=O)CCCNC(=O)C1CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136370226 442661655 /nfs/dbraw/zinc/66/16/55/442661655.db2.gz ZYWMGOMKLXWNHP-OAHLLOKOSA-N 0 0 345.447 1.210 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(Cl)cn2)C[C@H]1C ZINC000180832793 442664162 /nfs/dbraw/zinc/66/41/62/442664162.db2.gz KKROJKNRJKCJAZ-GFCCVEGCSA-N 0 0 326.828 1.597 10 0 EDAERN C[C@H](NC(=O)Cc1cncs1)c1ccc(S(N)(=O)=O)cc1 ZINC000187308233 442668728 /nfs/dbraw/zinc/66/87/28/442668728.db2.gz CDXQXWCJNWXLSX-VIFPVBQESA-N 0 0 325.415 1.210 10 0 EDAERN C[C@H](CNC(=O)N1Cc2ccccc2C2(CC2)C1)N1CCOCC1 ZINC000187333014 442670831 /nfs/dbraw/zinc/67/08/31/442670831.db2.gz QLCJHGBESPHNOK-OAHLLOKOSA-N 0 0 329.444 1.964 10 0 EDAERN C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCOC[C@H]1C(N)=O ZINC000192650905 442672638 /nfs/dbraw/zinc/67/26/38/442672638.db2.gz BAVABSBDJVFRRE-DOMZBBRYSA-N 0 0 328.368 1.320 10 0 EDAERN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CNC(=O)C1 ZINC000181617709 442706727 /nfs/dbraw/zinc/70/67/27/442706727.db2.gz MYMMRRGFXROCKH-LLVKDONJSA-N 0 0 332.335 1.061 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(I)cn1 ZINC000193183458 442720515 /nfs/dbraw/zinc/72/05/15/442720515.db2.gz MTCBKKJCNMQRSU-POYBYMJQSA-N 0 0 345.140 1.149 10 0 EDAERN CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)N1CCS(=O)CC1 ZINC000181943910 442722876 /nfs/dbraw/zinc/72/28/76/442722876.db2.gz TYIVZJLLIFIDDF-MRXNPFEDSA-N 0 0 344.477 1.757 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cn1)CC2 ZINC000193322364 442732823 /nfs/dbraw/zinc/73/28/23/442732823.db2.gz ALLHBLAMXMRPAZ-NSHDSACASA-N 0 0 346.366 1.005 10 0 EDAERN COC(=O)c1ccccc1OCCN1CCO[C@@H](Cn2cccn2)C1 ZINC000182146797 442740013 /nfs/dbraw/zinc/74/00/13/442740013.db2.gz YWICLBQHSWFIAP-OAHLLOKOSA-N 0 0 345.399 1.450 10 0 EDAERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188500360 442757126 /nfs/dbraw/zinc/75/71/26/442757126.db2.gz TULSKYHUABHGNX-HIFRSBDPSA-N 0 0 349.475 1.398 10 0 EDAERN CC(=O)Nc1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1C ZINC000188479130 442754751 /nfs/dbraw/zinc/75/47/51/442754751.db2.gz MBFFIWXBJNFBKF-OAHLLOKOSA-N 0 0 342.399 1.691 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000188481546 442754998 /nfs/dbraw/zinc/75/49/98/442754998.db2.gz AMIRHBRFFIUVJT-LBPRGKRZSA-N 0 0 340.391 1.079 10 0 EDAERN CCCCN(CCCO)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181697221 442710387 /nfs/dbraw/zinc/71/03/87/442710387.db2.gz MZLIXUUBOXPUNA-CQSZACIVSA-N 0 0 337.468 1.910 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000188101550 442711807 /nfs/dbraw/zinc/71/18/07/442711807.db2.gz ZCORQHHGKDPEKM-LLVKDONJSA-N 0 0 330.413 1.512 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](O)CC(C)(C)C)CC2 ZINC000181709770 442711846 /nfs/dbraw/zinc/71/18/46/442711846.db2.gz WDZVFWMSDRKOAC-CHWSQXEVSA-N 0 0 337.468 1.813 10 0 EDAERN O=C(c1c[nH]c(=S)[nH]1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000193091799 442712127 /nfs/dbraw/zinc/71/21/27/442712127.db2.gz KKCUCQAEOVRJPW-UHFFFAOYSA-N 0 0 329.385 1.802 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000193091392 442712209 /nfs/dbraw/zinc/71/22/09/442712209.db2.gz SVNMYINDGOCPSC-PWSUYJOCSA-N 0 0 325.796 1.649 10 0 EDAERN COCCN(CC(F)F)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181738760 442714124 /nfs/dbraw/zinc/71/41/24/442714124.db2.gz FRFOWXVZAXRRCM-LLVKDONJSA-N 0 0 345.394 1.639 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1)C(C)C ZINC000246646502 442799163 /nfs/dbraw/zinc/79/91/63/442799163.db2.gz FZXPHOZVZZAUQO-INMHGKMJSA-N 0 0 341.496 1.087 10 0 EDAERN CC(C)COc1ccc([C@H](C)NC(=O)Cn2ncn(C)c2=O)cc1 ZINC000182387823 442762786 /nfs/dbraw/zinc/76/27/86/442762786.db2.gz GQFHEWUIVGGOHT-ZDUSSCGKSA-N 0 0 332.404 1.494 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)C[C@](C)(O)c3ccccc3)CCO2)c1 ZINC000182430580 442766361 /nfs/dbraw/zinc/76/63/61/442766361.db2.gz CCBGBCGMQZFIAG-HKUYNNGSSA-N 0 0 343.427 1.717 10 0 EDAERN O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246385902 442777033 /nfs/dbraw/zinc/77/70/33/442777033.db2.gz NRAZRRWVPOQOMZ-UKRRQHHQSA-N 0 0 326.418 1.434 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2c(F)ccc(OC)c2OC)CC1 ZINC000188639231 442777122 /nfs/dbraw/zinc/77/71/22/442777122.db2.gz ZSKGGGVUAGAJIX-LBPRGKRZSA-N 0 0 340.395 1.372 10 0 EDAERN COCCC[C@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000182721698 442814037 /nfs/dbraw/zinc/81/40/37/442814037.db2.gz OXRJPZHUUIGEPH-WMZOPIPTSA-N 0 0 334.460 1.927 10 0 EDAERN O=C(NC1CN(C(=O)NCCc2cc(F)cc(F)c2)C1)C1CCC1 ZINC000188832802 442824047 /nfs/dbraw/zinc/82/40/47/442824047.db2.gz UOSRQMDQOAXCOW-UHFFFAOYSA-N 0 0 337.370 1.817 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C)CCN1C[C@H](C)O ZINC000246979947 442825954 /nfs/dbraw/zinc/82/59/54/442825954.db2.gz JRGOVPQXGLCPQE-HOTGVXAUSA-N 0 0 347.459 1.546 10 0 EDAERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000247239100 442843248 /nfs/dbraw/zinc/84/32/48/442843248.db2.gz ZUMVRWTZSMURAA-JYJNAYRXSA-N 0 0 327.469 1.458 10 0 EDAERN Cc1csc([C@H](C)CNC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188922074 442842580 /nfs/dbraw/zinc/84/25/80/442842580.db2.gz KCUUHXIKUIKLAO-SNVBAGLBSA-N 0 0 336.461 1.865 10 0 EDAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCOc3ccccc32)cn1 ZINC000194258921 442866908 /nfs/dbraw/zinc/86/69/08/442866908.db2.gz HYLSKAHYTXFAHE-CYBMUJFWSA-N 0 0 329.360 1.274 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)C(=O)c3ccccc3)CC2)n1 ZINC000194299641 442874463 /nfs/dbraw/zinc/87/44/63/442874463.db2.gz QEBHKHDAYSBHFT-ZDUSSCGKSA-N 0 0 342.399 1.720 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000189095215 442876201 /nfs/dbraw/zinc/87/62/01/442876201.db2.gz TYMWAPCYCXHAPV-LBPRGKRZSA-N 0 0 330.392 1.073 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(Cl)s1 ZINC000182958492 442854921 /nfs/dbraw/zinc/85/49/21/442854921.db2.gz RVXVYVJCHVQXAM-MRVPVSSYSA-N 0 0 339.804 1.916 10 0 EDAERN COc1ccc2[nH]c(C(=O)N3CCO[C@@H](Cn4cccn4)C3)cc2c1 ZINC000189273491 442909868 /nfs/dbraw/zinc/90/98/68/442909868.db2.gz NAGJAASLUIUTSM-OAHLLOKOSA-N 0 0 340.383 1.914 10 0 EDAERN C[C@H](OCCCNC(=O)CN1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189277888 442910383 /nfs/dbraw/zinc/91/03/83/442910383.db2.gz OURJOTWNVMMQGV-CVEARBPZSA-N 0 0 347.459 1.481 10 0 EDAERN C[C@@H]1C[C@@H](C(=O)NCCN2CCS(=O)(=O)CC2)CC(C)(C)C1 ZINC000183261884 442913563 /nfs/dbraw/zinc/91/35/63/442913563.db2.gz UAIGIAPRKSWJOO-ZIAGYGMSSA-N 0 0 330.494 1.295 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)NCCNC(=O)c1ccccc1F ZINC000194602386 442920799 /nfs/dbraw/zinc/92/07/99/442920799.db2.gz FIBLUABOHGCDHM-NSHDSACASA-N 0 0 347.346 1.083 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000194647435 442930896 /nfs/dbraw/zinc/93/08/96/442930896.db2.gz AYNTXWRFIHLHPJ-QGZVFWFLSA-N 0 0 341.371 1.336 10 0 EDAERN C[C@H](C(=O)Nc1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1)n1cccn1 ZINC000194800117 442954939 /nfs/dbraw/zinc/95/49/39/442954939.db2.gz XBJUXDKBCZUSCC-NEPJUHHUSA-N 0 0 341.371 1.157 10 0 EDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000183747340 442958929 /nfs/dbraw/zinc/95/89/29/442958929.db2.gz KQDPMJRWZGKLMB-NSHDSACASA-N 0 0 345.327 1.418 10 0 EDAERN O=C(Nc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1)C1CC1 ZINC000189473090 442962737 /nfs/dbraw/zinc/96/27/37/442962737.db2.gz PFLMCFPVBMFJSC-UHFFFAOYSA-N 0 0 327.384 1.386 10 0 EDAERN Cc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cnn1-c1ccccc1C ZINC000189500424 442969109 /nfs/dbraw/zinc/96/91/09/442969109.db2.gz HWYPFQCZVQHYLP-UHFFFAOYSA-N 0 0 338.411 1.840 10 0 EDAERN CCc1nc(C2(NS(=O)(=O)N(CC)CC3CC3)CCCC2)no1 ZINC000183954824 442977385 /nfs/dbraw/zinc/97/73/85/442977385.db2.gz PSBSVNILRQGDPL-UHFFFAOYSA-N 0 0 342.465 1.968 10 0 EDAERN CSC1(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CCC1 ZINC000195122857 442985333 /nfs/dbraw/zinc/98/53/33/442985333.db2.gz CLTMXAZPHHTADW-KBPBESRZSA-N 0 0 327.494 1.634 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1ccc(F)c(F)c1)CC2 ZINC000189648939 442989524 /nfs/dbraw/zinc/98/95/24/442989524.db2.gz YIAOPMNYLHMYCY-GFCCVEGCSA-N 0 0 349.385 1.975 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000249113709 442952780 /nfs/dbraw/zinc/95/27/80/442952780.db2.gz NMSYMRQTAZIABR-ZBFHGGJFSA-N 0 0 339.480 1.552 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2nc3ccccn3n2)C[C@@H]1C ZINC000184354864 443015095 /nfs/dbraw/zinc/01/50/95/443015095.db2.gz LTWTUFJKXBKFJH-ZDUSSCGKSA-N 0 0 332.408 1.304 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@](C)(O)c1ccc(F)cc1 ZINC000184522306 443033757 /nfs/dbraw/zinc/03/37/57/443033757.db2.gz PCSMMASCXSBGAM-AEFFLSMTSA-N 0 0 338.423 1.650 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3c(C)ccn3C)C2=O)n(C)n1 ZINC000189959406 443037889 /nfs/dbraw/zinc/03/78/89/443037889.db2.gz HEPOEJJVDKSYRS-ZDUSSCGKSA-N 0 0 329.404 1.301 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000184736237 443070032 /nfs/dbraw/zinc/07/00/32/443070032.db2.gz ZIVFCIVIQWOACC-KGLIPLIRSA-N 0 0 345.447 1.722 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000184741118 443070508 /nfs/dbraw/zinc/07/05/08/443070508.db2.gz FUUVQFMMDSHUIU-WCFLWFBJSA-N 0 0 347.440 1.228 10 0 EDAERN COCC(=O)NC1CN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000185088220 443133997 /nfs/dbraw/zinc/13/39/97/443133997.db2.gz AAQSNVJHIMXVHL-ZDUSSCGKSA-N 0 0 346.349 1.056 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000184947776 443105222 /nfs/dbraw/zinc/10/52/22/443105222.db2.gz DLVICFWUHSNQAQ-HOCLYGCPSA-N 0 0 335.448 1.421 10 0 EDAERN O=C(/C=C\C1CCCCC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000255891387 443113169 /nfs/dbraw/zinc/11/31/69/443113169.db2.gz UGQNBHMQKDJFJX-TWGQIWQCSA-N 0 0 340.431 1.909 10 0 EDAERN CC(C)c1cnc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000190487024 443118128 /nfs/dbraw/zinc/11/81/28/443118128.db2.gz YPGOKUFCVPLAKC-LLVKDONJSA-N 0 0 347.444 1.955 10 0 EDAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)C12CCOCC2 ZINC000185146248 443147701 /nfs/dbraw/zinc/14/77/01/443147701.db2.gz LJAJMAKJRZNTIG-SOUVJXGZSA-N 0 0 346.493 1.527 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H]2CCOC2=O)CC1 ZINC000190506910 443122800 /nfs/dbraw/zinc/12/28/00/443122800.db2.gz VLWFKJZFQQWHRF-ZIAGYGMSSA-N 0 0 326.437 1.430 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2c(C)onc2-c2ccccc2)C1 ZINC000185239827 443168103 /nfs/dbraw/zinc/16/81/03/443168103.db2.gz HGSQBERGEFIIND-UHFFFAOYSA-N 0 0 329.356 1.237 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2oc3c(c2C)c(C)ccc3C)C1 ZINC000185250011 443170237 /nfs/dbraw/zinc/17/02/37/443170237.db2.gz NVBNRPNVDJJLDH-UHFFFAOYSA-N 0 0 330.384 1.945 10 0 EDAERN COc1cc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1F ZINC000190726995 443171629 /nfs/dbraw/zinc/17/16/29/443171629.db2.gz KJTRJDJURHLJHR-GFCCVEGCSA-N 0 0 339.392 1.884 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnn(C)c2C)C12CCCC2 ZINC000190823216 443189812 /nfs/dbraw/zinc/18/98/12/443189812.db2.gz RCZHIPPYNSWJHR-CABCVRRESA-N 0 0 348.447 1.863 10 0 EDAERN CCc1cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)ccc1C ZINC000245531754 443234423 /nfs/dbraw/zinc/23/44/23/443234423.db2.gz CVGOKTWLMVDRJT-GJZGRUSLSA-N 0 0 347.459 1.409 10 0 EDAERN CC(C)(O)c1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000185473350 443204790 /nfs/dbraw/zinc/20/47/90/443204790.db2.gz LIGOIPNJZRGDSR-AWEZNQCLSA-N 0 0 329.404 1.320 10 0 EDAERN COc1cccc(-c2nsc(NC(=O)C(=O)N[C@H]3C[C@@H]3C)n2)c1 ZINC000185772994 443255172 /nfs/dbraw/zinc/25/51/72/443255172.db2.gz XSAKEYIFUXPOMO-KWQFWETISA-N 0 0 332.385 1.677 10 0 EDAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000246173590 443275443 /nfs/dbraw/zinc/27/54/43/443275443.db2.gz IBHURGKUONECAQ-MZJLLONVSA-N 0 0 331.482 1.136 10 0 EDAERN COc1cc(Cl)ccc1CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191376718 443286561 /nfs/dbraw/zinc/28/65/61/443286561.db2.gz NMWYIWAYMHIUTN-SNVBAGLBSA-N 0 0 325.796 1.769 10 0 EDAERN Cc1cc(C)cc(OC[C@H](O)CN2CC(NC(=O)C3CCC3)C2)c1 ZINC000185938314 443288413 /nfs/dbraw/zinc/28/84/13/443288413.db2.gz WEEFCKLXXGCWQE-QGZVFWFLSA-N 0 0 332.444 1.644 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccccc1OCC1CC1 ZINC000191421154 443292702 /nfs/dbraw/zinc/29/27/02/443292702.db2.gz LNKAAXOBNDYPGY-CYBMUJFWSA-N 0 0 331.416 1.895 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000185850943 443269538 /nfs/dbraw/zinc/26/95/38/443269538.db2.gz KJEMUZQGMDHIBQ-GFCCVEGCSA-N 0 0 349.387 1.199 10 0 EDAERN CC(=O)NC1CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000191498102 443302933 /nfs/dbraw/zinc/30/29/33/443302933.db2.gz OTRZYMAWGFIJRI-UHFFFAOYSA-N 0 0 332.331 1.958 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)/C=C\c1cncc(O)c1)CC2 ZINC000492403621 320378176 /nfs/dbraw/zinc/37/81/76/320378176.db2.gz ZKRJPMYIZDBYLP-ACVFHECNSA-N 0 0 327.388 1.647 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3C)CC[C@@H]21 ZINC000299741325 444130446 /nfs/dbraw/zinc/13/04/46/444130446.db2.gz DTRBOQOOWVHYBU-CVEARBPZSA-N 0 0 331.416 1.179 10 0 EDAERN NC(=O)c1noc([C@@H]2CCCN2C[C@@H](O)c2c(F)cccc2F)n1 ZINC000328621456 444397420 /nfs/dbraw/zinc/39/74/20/444397420.db2.gz AMNJBCDATLQETP-WDEREUQCSA-N 0 0 338.314 1.317 10 0 EDAERN CCc1cccc(OCCN2CCC[C@H]2c2nc(C(N)=O)no2)c1 ZINC000328622311 444397582 /nfs/dbraw/zinc/39/75/82/444397582.db2.gz BCIXZPLQNRBVOJ-AWEZNQCLSA-N 0 0 330.388 1.947 10 0 EDAERN Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000328627557 444401887 /nfs/dbraw/zinc/40/18/87/444401887.db2.gz MWQMZFMOMBIJOF-ZIAGYGMSSA-N 0 0 326.418 1.209 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c(=O)[nH]1 ZINC000377058501 446893059 /nfs/dbraw/zinc/89/30/59/446893059.db2.gz WQCWIJHNFPHLHM-CVEARBPZSA-N 0 0 341.367 1.633 10 0 EDAERN COC(=O)CNC(=O)N1CC(Cn2c(C)cnc2-c2ccncc2)C1 ZINC000575549564 447864856 /nfs/dbraw/zinc/86/48/56/447864856.db2.gz KKKADKSGFYQFLD-UHFFFAOYSA-N 0 0 343.387 1.068 10 0 EDAERN COc1c(Br)ccc(OC(F)F)c1S(N)(=O)=O ZINC000575685866 447879796 /nfs/dbraw/zinc/87/97/96/447879796.db2.gz YADMFRXQRBOSSR-UHFFFAOYSA-N 0 0 332.122 1.707 10 0 EDAERN CSc1c(C)ccc(I)c1S(N)(=O)=O ZINC000575708051 447882785 /nfs/dbraw/zinc/88/27/85/447882785.db2.gz FICZDCCZSYWNTF-UHFFFAOYSA-N 0 0 343.211 1.969 10 0 EDAERN CC(C)n1cc([C@]2(O)CCN(C(=O)CC3(O)CCCCC3)C2)nn1 ZINC000583618730 448448102 /nfs/dbraw/zinc/44/81/02/448448102.db2.gz BABXAMYTVCXWSN-KRWDZBQOSA-N 0 0 336.436 1.364 10 0 EDAERN CN1C[C@H](NC(=O)c2ccc3nncn3c2)CC[C@H]1C(F)(F)F ZINC000583620033 448450808 /nfs/dbraw/zinc/45/08/08/448450808.db2.gz LICKBDIDDXCFLY-MNOVXSKESA-N 0 0 327.310 1.484 10 0 EDAERN CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ccc(C#N)nc2)C1 ZINC000547680777 448913952 /nfs/dbraw/zinc/91/39/52/448913952.db2.gz BHBCFOUTWUUQLN-MRXNPFEDSA-N 0 0 327.413 1.960 10 0 EDAERN CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2nc(C3CC3)no2)C1 ZINC000548010686 448965379 /nfs/dbraw/zinc/96/53/79/448965379.db2.gz LCPDHFQMECLLOI-MRXNPFEDSA-N 0 0 347.444 1.949 10 0 EDAERN Cc1cn2nc(N[C@@H]3CCN(C(=O)c4cc(C)oc4C)C3)ccc2n1 ZINC000575010406 449013114 /nfs/dbraw/zinc/01/31/14/449013114.db2.gz PBQMBBSQALLJHA-CQSZACIVSA-N 0 0 339.399 2.574 10 0 EDAERN Cc1cccc(C(=O)N[C@@H]2CCNC2=O)c1I ZINC000597856380 449125464 /nfs/dbraw/zinc/12/54/64/449125464.db2.gz PVLXKBPPWFDBQR-SECBINFHSA-N 0 0 344.152 1.218 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCOCC(F)(F)C1 ZINC000614944651 449890621 /nfs/dbraw/zinc/89/06/21/449890621.db2.gz ZNTBBJAGDPWMBU-VXGBXAGGSA-N 0 0 329.347 1.382 10 0 EDAERN Cc1ccc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000619002691 450372444 /nfs/dbraw/zinc/37/24/44/450372444.db2.gz AINXTIFMXWSCGK-SNVBAGLBSA-N 0 0 325.206 1.966 10 0 EDAERN Nc1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCCO2)ccn1 ZINC000616597233 450454501 /nfs/dbraw/zinc/45/45/01/450454501.db2.gz BWNXFHPJKKFVBJ-HNNXBMFYSA-N 0 0 333.413 1.816 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616653742 450457960 /nfs/dbraw/zinc/45/79/60/450457960.db2.gz HRMIQIYRMIERMC-OAHLLOKOSA-N 0 0 349.431 1.856 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cncc(Br)c1 ZINC000616766618 450478892 /nfs/dbraw/zinc/47/88/92/450478892.db2.gz IOFLXEFGUJYWPR-QJPTWQEYSA-N 0 0 337.177 1.145 10 0 EDAERN Cc1ccc2ncnc(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)c2c1 ZINC000624422526 450844658 /nfs/dbraw/zinc/84/46/58/450844658.db2.gz XTXODANQXGPVSA-HZPDHXFCSA-N 0 0 325.372 1.300 10 0 EDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1Br ZINC000629238908 451612963 /nfs/dbraw/zinc/61/29/63/451612963.db2.gz ZHRQRRYSXCZTCP-QWRGUYRKSA-N 0 0 334.597 1.982 10 0 EDAERN Cn1cc([C@@H]2OCC[C@H]2CNc2nnnn2-c2ccccc2)cn1 ZINC000665748227 452316636 /nfs/dbraw/zinc/31/66/36/452316636.db2.gz ZRBOKJIARITLDY-SWLSCSKDSA-N 0 0 325.376 1.007 10 0 EDAERN CCc1nnc(C)cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583619516 486278047 /nfs/dbraw/zinc/27/80/47/486278047.db2.gz AGDGROOUBAJEQN-WBVHZDCISA-N 0 0 339.399 1.444 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NC[C@@H]3Cc4ccccc43)CCO2)[nH]1 ZINC000137221716 491233584 /nfs/dbraw/zinc/23/35/84/491233584.db2.gz QDAAORLLLKUULB-DZGCQCFKSA-N 0 0 341.415 1.790 10 0 EDAERN C[C@@H]1CCC[C@@H](C)N1NS(=O)(=O)c1cccc(C(N)=S)c1 ZINC000147851861 533738169 /nfs/dbraw/zinc/73/81/69/533738169.db2.gz JFAWZWBXUXRFLV-GHMZBOCLSA-N 0 0 327.475 1.777 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000183962899 533962610 /nfs/dbraw/zinc/96/26/10/533962610.db2.gz JFOSQVVNKKKRMC-HIFRSBDPSA-N 0 0 332.400 1.057 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)CCSc1ccc(N)cc1 ZINC000168685245 534228443 /nfs/dbraw/zinc/22/84/43/534228443.db2.gz WRGGFRGMHQQXBK-APBUJDDRSA-N 0 0 336.504 1.047 10 0 EDAERN NC(=S)c1ccccc1CS(=O)(=O)N[C@H]1CCCSC1 ZINC000136416364 534530149 /nfs/dbraw/zinc/53/01/49/534530149.db2.gz DSUVXKRQCDDDGG-NSHDSACASA-N 0 0 330.500 1.636 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000175148513 534778001 /nfs/dbraw/zinc/77/80/01/534778001.db2.gz DLUSDJIHCQMGLM-ZDUSSCGKSA-N 0 0 337.383 1.733 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCCOc2ccccc2Cl)C1 ZINC000051469985 536444644 /nfs/dbraw/zinc/44/46/44/536444644.db2.gz RLIMUGNLUIWJRO-CYBMUJFWSA-N 0 0 326.824 1.946 10 0 EDAERN CCC[C@@H]1NC(=O)[C@@H](C)N(Cc2ccc(Br)cn2)C1=O ZINC000168883728 527869215 /nfs/dbraw/zinc/86/92/15/527869215.db2.gz VCYBHPWFSVFLJM-SKDRFNHKSA-N 0 0 340.221 1.860 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000183304232 528146961 /nfs/dbraw/zinc/14/69/61/528146961.db2.gz FGZWGRYCNKPYTP-UONOGXRCSA-N 0 0 334.424 1.450 10 0 EDAERN CCCNC(=O)[C@@H]1COCCN1Cc1cncc(Br)c1 ZINC000168426015 528434390 /nfs/dbraw/zinc/43/43/90/528434390.db2.gz HHGZDBFFFCBIDO-ZDUSSCGKSA-N 0 0 342.237 1.571 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000184229604 528474526 /nfs/dbraw/zinc/47/45/26/528474526.db2.gz HZRCTFVKVSZFGS-MRXNPFEDSA-N 0 0 348.443 1.617 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](O)c1ccccc1)CC2 ZINC000181747581 528474753 /nfs/dbraw/zinc/47/47/53/528474753.db2.gz CSLSBAGLYDKEAU-GJZGRUSLSA-N 0 0 343.431 1.749 10 0 EDAERN CCC(C)(C)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000190520179 528523955 /nfs/dbraw/zinc/52/39/55/528523955.db2.gz AXOVBZKJNLTDPI-CYBMUJFWSA-N 0 0 335.452 1.959 10 0 EDAERN CCCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000174010289 528623064 /nfs/dbraw/zinc/62/30/64/528623064.db2.gz HCLZXQCWSDUBLP-QGZVFWFLSA-N 0 0 345.443 1.511 10 0 EDAERN CC[C@H]1C(=O)NC(C)(C)C(=O)N1Cc1cncc(Br)c1 ZINC000168886035 529193156 /nfs/dbraw/zinc/19/31/56/529193156.db2.gz HCDYSKZOFSKUBO-NSHDSACASA-N 0 0 340.221 1.860 10 0 EDAERN CCOCCN1CCN(CC(=O)NCc2cccs2)C[C@H]1C ZINC000247398984 535603164 /nfs/dbraw/zinc/60/31/64/535603164.db2.gz YDZIJDXZANCCNK-CQSZACIVSA-N 0 0 325.478 1.407 10 0 EDAERN CCOCCN1CCN(CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC000247190099 535603512 /nfs/dbraw/zinc/60/35/12/535603512.db2.gz OBJKOKGPDRAHDM-CABCVRRESA-N 0 0 339.505 1.968 10 0 EDAERN CCOCCN1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC000247064131 535608920 /nfs/dbraw/zinc/60/89/20/535608920.db2.gz GBISIQHBFCPURP-ZIAGYGMSSA-N 0 0 342.484 1.042 10 0 EDAERN CCOc1cc(C)nc(N2CCN(Cc3nnc(CC)n3C)CC2)n1 ZINC000171595005 535671147 /nfs/dbraw/zinc/67/11/47/535671147.db2.gz CYJKADAEJMQLJH-UHFFFAOYSA-N 0 0 345.451 1.197 10 0 EDAERN CCN1CCO[C@H](C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000245432942 535763720 /nfs/dbraw/zinc/76/37/20/535763720.db2.gz OYSIGEZSDRZYLS-PBHICJAKSA-N 0 0 328.416 1.770 10 0 EDAERN CC[C@@]1(C2CC2)NC(=O)N(Cc2cc(=O)n3c(C)cccc3n2)C1=O ZINC000329680146 536076285 /nfs/dbraw/zinc/07/62/85/536076285.db2.gz WICHKIQQVSPMJA-SFHVURJKSA-N 0 0 340.383 1.818 10 0 EDAERN CN[C@@H](C(=O)NC[C@H](C)N1CCc2ccccc21)c1cnn(C)c1 ZINC000262335183 536335214 /nfs/dbraw/zinc/33/52/14/536335214.db2.gz HELCXSXIKYMDTF-SUMWQHHRSA-N 0 0 327.432 1.248 10 0 EDAERN CN[C@@H](C(=O)N[C@H](C)c1noc(-c2ccccc2)n1)c1cnn(C)c1 ZINC000262355837 536337176 /nfs/dbraw/zinc/33/71/76/536337176.db2.gz GUHQXHIDMFDZOL-BXUZGUMPSA-N 0 0 340.387 1.608 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000179294006 536360016 /nfs/dbraw/zinc/36/00/16/536360016.db2.gz GGJZWXNZZWAIST-KBMXLJTQSA-N 0 0 333.432 1.461 10 0 EDAERN COC(=O)c1ccc(S(C)(=O)=O)cc1NC(=O)C1CC(C)C1 ZINC000891018151 590915402 /nfs/dbraw/zinc/91/54/02/590915402.db2.gz LWFHOEVGIKFGES-UHFFFAOYSA-N 0 0 325.386 1.861 10 0 EDAERN CCOCc1ccccc1CNC(=O)CN1CCCC[C@H](OC)C1=O ZINC000888076058 590929765 /nfs/dbraw/zinc/92/97/65/590929765.db2.gz SVOBRUBIHUKQIW-KRWDZBQOSA-N 0 0 348.443 1.867 10 0 EDAERN COc1ccccc1CN(C)C(=O)CN1CCCC[C@@H](OC)C1=O ZINC000888078704 590934683 /nfs/dbraw/zinc/93/46/83/590934683.db2.gz NNOCWLOCOXLPQM-MRXNPFEDSA-N 0 0 334.416 1.681 10 0 EDAERN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cc(OC)n(C)n2)cn1 ZINC000888094592 591024783 /nfs/dbraw/zinc/02/47/83/591024783.db2.gz DVRVVUACRZRKBK-GXTWGEPZSA-N 0 0 333.392 1.375 10 0 EDAERN CN(C)c1nc([C@@H]2CCN(c3nccn(C4CC4)c3=O)C2)cc(=O)[nH]1 ZINC000888098362 591028671 /nfs/dbraw/zinc/02/86/71/591028671.db2.gz GRRCVXPWVXUUAS-LLVKDONJSA-N 0 0 342.403 1.134 10 0 EDAERN C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)c1cc(=O)[nH][nH]1 ZINC000898867758 591574371 /nfs/dbraw/zinc/57/43/71/591574371.db2.gz QHZXEUZVVGEPLG-SSDOTTSWSA-N 0 0 330.266 1.942 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCCCNC(C)=O ZINC000103702067 593124881 /nfs/dbraw/zinc/12/48/81/593124881.db2.gz XCJCSZQPJVTCPT-CJNGLKHVSA-N 0 0 334.416 1.901 10 0 EDAERN Cc1nnc2n1C[C@H](C(=O)NCCc1c(C)[nH]c3ccccc31)NC2 ZINC000818107621 593669140 /nfs/dbraw/zinc/66/91/40/593669140.db2.gz CWLANNJIYKYWAM-MRXNPFEDSA-N 0 0 338.415 1.207 10 0 EDAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)C/C=C/c1ccc(F)cc1)C2 ZINC000818350597 593694140 /nfs/dbraw/zinc/69/41/40/593694140.db2.gz LRRRNEWJYQKVPR-BAABZTOOSA-N 0 0 343.362 1.025 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3c(c2)CCO3)cn1 ZINC000818601364 593706949 /nfs/dbraw/zinc/70/69/49/593706949.db2.gz XFNISFSZGDPGEF-DOTOQJQBSA-N 0 0 343.383 1.414 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)CC[N@@H+]1CCOC ZINC000117299582 595616262 /nfs/dbraw/zinc/61/62/62/595616262.db2.gz DCJHPLOIUGDWJI-OAHLLOKOSA-N 0 0 343.431 1.450 10 0 EDAERN Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)C4=C(C)CCC4)C3)C2)n1 ZINC000864679811 596305740 /nfs/dbraw/zinc/30/57/40/596305740.db2.gz AOWWMZKCWFTIPO-LBPRGKRZSA-N 0 0 330.388 1.405 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CN3C[C@@H](CC)CC3=O)CC2)n1 ZINC000119342839 596521165 /nfs/dbraw/zinc/52/11/65/596521165.db2.gz CYWKONOKOHQCLG-HNNXBMFYSA-N 0 0 347.463 1.522 10 0 EDAERN C[C@@H]1CC[C@@H](C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)O1 ZINC000124023937 596866594 /nfs/dbraw/zinc/86/65/94/596866594.db2.gz IVTIUJIQHUMHTG-RISCZKNCSA-N 0 0 332.356 1.191 10 0 EDAERN CC(C)N(C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CCC1 ZINC000126103497 597286827 /nfs/dbraw/zinc/28/68/27/597286827.db2.gz KQJJLTYSSWERLE-GFCCVEGCSA-N 0 0 349.456 1.903 10 0 EDAERN C[C@@]1(CNC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCCO1 ZINC000133077950 597929671 /nfs/dbraw/zinc/92/96/71/597929671.db2.gz GIQVBKPHTWXIBB-HKUYNNGSSA-N 0 0 347.459 1.616 10 0 EDAERN C[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)n1)N1CCOCC1 ZINC000181871399 700107634 /nfs/dbraw/zinc/10/76/34/700107634.db2.gz QHUZPKNKPPPWDE-JTQLQIEISA-N 0 0 332.326 1.943 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(CCCNC(=O)C(F)(F)F)CCO2)n1 ZINC000154816872 697209849 /nfs/dbraw/zinc/20/98/49/697209849.db2.gz QEQZBLZIMQOBPP-ZDUSSCGKSA-N 0 0 348.369 1.269 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)OC2CCN(C=O)CC2)[C@H]1c1ccccc1 ZINC000181956347 700205843 /nfs/dbraw/zinc/20/58/43/700205843.db2.gz UGLQSAMAEGJKFW-SJLPKXTDSA-N 0 0 344.411 1.760 10 0 EDAERN CCc1nn(C)cc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180084173 698586311 /nfs/dbraw/zinc/58/63/11/698586311.db2.gz FKZUWZIOQXUUNR-LJQANCHMSA-N 0 0 328.460 1.834 10 0 EDAERN CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180251011 698700228 /nfs/dbraw/zinc/70/02/28/698700228.db2.gz VEZFPTDDDNZGAE-RYUDHWBXSA-N 0 0 325.453 1.901 10 0 EDAERN O=C(C1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1)C(F)(F)F ZINC000185113926 698974900 /nfs/dbraw/zinc/97/49/00/698974900.db2.gz QVDINXDROKJXFY-VXGBXAGGSA-N 0 0 344.333 1.739 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ccnn1C)C(C)C ZINC000185835069 705469346 /nfs/dbraw/zinc/46/93/46/705469346.db2.gz ZDGGLYSIRZVAOQ-QGZVFWFLSA-N 0 0 342.443 1.842 10 0 EDAERN COc1cc(Br)cc(C)c1NC(=O)c1nonc1N ZINC000054430792 214239242 /nfs/dbraw/zinc/23/92/42/214239242.db2.gz ZDWARGIHNPCXQJ-UHFFFAOYSA-N 0 0 327.138 1.984 10 0 EDAERN O=C(NCc1nc2ccccc2s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173767210 231027997 /nfs/dbraw/zinc/02/79/97/231027997.db2.gz UMAIXRIPSLCPAX-CYBMUJFWSA-N 0 0 346.456 1.912 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc(F)ccc3C)CCO2)[nH]1 ZINC000173736316 231018800 /nfs/dbraw/zinc/01/88/00/231018800.db2.gz RVBYZIRJKPDPNH-LBPRGKRZSA-N 0 0 340.380 1.323 10 0 EDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C)cc3C)CCO2)[nH]1 ZINC000173735510 231019477 /nfs/dbraw/zinc/01/94/77/231019477.db2.gz NKJROBMYPUSGJW-ZDUSSCGKSA-N 0 0 336.417 1.492 10 0 EDAERN Cc1cc(C)cc(CCNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173894067 231062625 /nfs/dbraw/zinc/06/26/25/231062625.db2.gz HBCAJSQCSDMKOR-SFHVURJKSA-N 0 0 331.460 1.962 10 0 EDAERN Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000174007641 231097719 /nfs/dbraw/zinc/09/77/19/231097719.db2.gz IUIJVAHGBQSGFC-MRXNPFEDSA-N 0 0 345.443 1.483 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000173695366 529666723 /nfs/dbraw/zinc/66/67/23/529666723.db2.gz YOZJTYZCIZKZMM-OAHLLOKOSA-N 0 0 327.388 1.643 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[S@@](=O)C(C)(C)C ZINC000175791487 231511966 /nfs/dbraw/zinc/51/19/66/231511966.db2.gz KJOWDGQREAMARX-KPWVOAKYSA-N 0 0 327.454 1.268 10 0 EDAERN CCc1ccc([C@@H](C)NS(=O)(=O)N(C)CCC(=O)OC)cc1 ZINC000172982991 529707156 /nfs/dbraw/zinc/70/71/56/529707156.db2.gz IJZDPWQHNUFODH-GFCCVEGCSA-N 0 0 328.434 1.639 10 0 EDAERN CC[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000062063276 214695043 /nfs/dbraw/zinc/69/50/43/214695043.db2.gz CRGPEFVHFXEXGK-NSHDSACASA-N 0 0 326.418 1.724 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000187859914 530017006 /nfs/dbraw/zinc/01/70/06/530017006.db2.gz JIUSPJGXHUYWMP-CYBMUJFWSA-N 0 0 341.477 1.795 10 0 EDAERN Cc1ccc(C(=O)NC(=S)NC[C@@H](C)O)cc1Br ZINC000009270795 201772919 /nfs/dbraw/zinc/77/29/19/201772919.db2.gz HJFCXKGAAUYDDY-MRVPVSSYSA-N 0 0 331.235 1.743 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246030851 539465897 /nfs/dbraw/zinc/46/58/97/539465897.db2.gz PRGWLYYSBDWWEE-UONOGXRCSA-N 0 0 342.465 1.376 10 0 EDAERN C[C@H](C(=O)Nc1cccc(C(N)=O)c1)N1C(=O)c2ccccc2C1=O ZINC000015566162 201958585 /nfs/dbraw/zinc/95/85/85/201958585.db2.gz FWAGXPLFYMDJTF-SNVBAGLBSA-N 0 0 337.335 1.409 10 0 EDAERN C[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OCc1ccccc1 ZINC000669380814 539742121 /nfs/dbraw/zinc/74/21/21/539742121.db2.gz QJMARQJTLFRXFO-AWEZNQCLSA-N 0 0 334.372 1.531 10 0 EDAERN Cn1cc(CC(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cn1 ZINC000183276346 234984954 /nfs/dbraw/zinc/98/49/54/234984954.db2.gz DJKSFJSUKAXIFQ-SOUVJXGZSA-N 0 0 348.447 1.724 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2cccc(N(C)C)n2)C1 ZINC000164453707 540061592 /nfs/dbraw/zinc/06/15/92/540061592.db2.gz KZGCWLUVMMRNCH-HNNXBMFYSA-N 0 0 347.463 1.738 10 0 EDAERN COCCC(C)(C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000183547299 235134095 /nfs/dbraw/zinc/13/40/95/235134095.db2.gz IFNAFCAKTGJGMY-QGZVFWFLSA-N 0 0 334.460 1.927 10 0 EDAERN Cc1nccc(C(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000176519244 540101253 /nfs/dbraw/zinc/10/12/53/540101253.db2.gz JTPQRYSIGMMETF-HNNXBMFYSA-N 0 0 346.456 1.992 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H]1CC[C@H](CO)CC1)CC2 ZINC000181753320 540128869 /nfs/dbraw/zinc/12/88/69/540128869.db2.gz YIOYYRVUVXOUSD-HZSPNIEDSA-N 0 0 335.452 1.567 10 0 EDAERN CNC(=O)[C@H](NCC(=O)Nc1nnc(CC(C)C)s1)C(C)C ZINC000183660695 540139058 /nfs/dbraw/zinc/13/90/58/540139058.db2.gz ONECAVPIAXKIIB-GFCCVEGCSA-N 0 0 327.454 1.035 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)NCCc2ccc(F)c(F)c2)C1 ZINC000190314110 540170091 /nfs/dbraw/zinc/17/00/91/540170091.db2.gz UQFNAXOJYBJQQY-ZDUSSCGKSA-N 0 0 325.359 1.817 10 0 EDAERN Cc1ccc(OCc2nc(CN3C[C@@H](O)C[C@@H]3CO)cs2)cc1 ZINC000184009764 235284772 /nfs/dbraw/zinc/28/47/72/235284772.db2.gz SVUYJKCONLFNOH-CABCVRRESA-N 0 0 334.441 1.958 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C2)cn1 ZINC000184013837 235285487 /nfs/dbraw/zinc/28/54/87/235285487.db2.gz WBNFERQHWQMDDH-GDBMZVCRSA-N 0 0 342.399 1.613 10 0 EDAERN C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)O1)N1C(=O)c2ccccc2C1=O ZINC000189621435 540165738 /nfs/dbraw/zinc/16/57/38/540165738.db2.gz XDKYKNSYCISASD-RYUDHWBXSA-N 0 0 330.384 1.745 10 0 EDAERN COc1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)ccc1F ZINC000190727013 540171630 /nfs/dbraw/zinc/17/16/30/540171630.db2.gz KJTRJDJURHLJHR-LBPRGKRZSA-N 0 0 339.392 1.884 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000184183734 235326000 /nfs/dbraw/zinc/32/60/00/235326000.db2.gz FXTXSFBHKYAHGE-CQSZACIVSA-N 0 0 338.408 1.989 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000184394828 235386374 /nfs/dbraw/zinc/38/63/74/235386374.db2.gz GEMKZNUIMOZREB-LBPRGKRZSA-N 0 0 340.391 1.752 10 0 EDAERN CC1=NCCN1C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 ZINC000020174164 202035497 /nfs/dbraw/zinc/03/54/97/202035497.db2.gz IADLWHZHCFZUEN-UHFFFAOYSA-N 0 0 349.412 1.263 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Oc2cc(C)ccc2Cl)C1 ZINC000185262069 235627589 /nfs/dbraw/zinc/62/75/89/235627589.db2.gz FSLAWGBSBBLINT-LLVKDONJSA-N 0 0 340.807 1.389 10 0 EDAERN COc1ccc(N2C(=O)C[C@@H](N3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000022241509 202081930 /nfs/dbraw/zinc/08/19/30/202081930.db2.gz IZIUDEYOMPOMOD-CZUORRHYSA-N 0 0 332.400 1.564 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000083741140 138269317 /nfs/dbraw/zinc/26/93/17/138269317.db2.gz OCMKJLUATBTWNW-ZDUSSCGKSA-N 0 0 348.451 1.321 10 0 EDAERN O=C(CSCC(F)(F)F)N[C@H]1CCCN(c2cccnn2)C1 ZINC000090634182 138280217 /nfs/dbraw/zinc/28/02/17/138280217.db2.gz WYDANDAFNFNBKR-JTQLQIEISA-N 0 0 334.367 1.857 10 0 EDAERN CCc1nnc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)n1C ZINC000091049451 138281395 /nfs/dbraw/zinc/28/13/95/138281395.db2.gz QUFPIMGFWSVYID-UHFFFAOYSA-N 0 0 342.465 1.083 10 0 EDAERN CCCN(CCC)C(=O)CS(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000091048967 138281422 /nfs/dbraw/zinc/28/14/22/138281422.db2.gz ZDZFYCRQKXPEEP-UHFFFAOYSA-N 0 0 342.465 1.256 10 0 EDAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCc1cscc1C ZINC000094875240 138296019 /nfs/dbraw/zinc/29/60/19/138296019.db2.gz DBMFEEWQBQPNHS-UHFFFAOYSA-N 0 0 329.403 1.435 10 0 EDAERN Cc1sc(=O)n(CC(=O)N2CCCN(c3cccnn3)CC2)c1C ZINC000105811376 138301938 /nfs/dbraw/zinc/30/19/38/138301938.db2.gz IZIFMHXCJRGCLZ-UHFFFAOYSA-N 0 0 347.444 1.056 10 0 EDAERN CS(=O)(=O)CCCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000103142169 138299106 /nfs/dbraw/zinc/29/91/06/138299106.db2.gz FWNDCCYQSQIFBB-ZDUSSCGKSA-N 0 0 326.466 1.576 10 0 EDAERN Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1S(C)(=O)=O ZINC000120319930 138315455 /nfs/dbraw/zinc/31/54/55/138315455.db2.gz JPUSWKQYCASCES-GFCCVEGCSA-N 0 0 349.416 1.127 10 0 EDAERN COC(=O)Nc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000105854213 138302263 /nfs/dbraw/zinc/30/22/63/138302263.db2.gz RLCCQDOJZVVAFX-CQSZACIVSA-N 0 0 329.360 1.934 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1)C(C)C ZINC000108278905 138304810 /nfs/dbraw/zinc/30/48/10/138304810.db2.gz DQYQXEXIVYZDCO-GXTWGEPZSA-N 0 0 349.435 1.311 10 0 EDAERN CCCCOCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115812504 138311389 /nfs/dbraw/zinc/31/13/89/138311389.db2.gz FUWIBEKHFMBDRO-UHFFFAOYSA-N 0 0 337.468 1.454 10 0 EDAERN COC(=O)c1cccc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116311065 138311718 /nfs/dbraw/zinc/31/17/18/138311718.db2.gz KLSXDAJEYCMZJH-AWEZNQCLSA-N 0 0 342.399 1.635 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121613436 138317692 /nfs/dbraw/zinc/31/76/92/138317692.db2.gz UYEIIYLIPOEXRY-SCLBCKFNSA-N 0 0 344.415 1.027 10 0 EDAERN CSCc1noc(CCC(=O)N2CCC(c3cc[nH]n3)CC2)n1 ZINC000132014433 138369624 /nfs/dbraw/zinc/36/96/24/138369624.db2.gz JEEVEVILFWADNZ-UHFFFAOYSA-N 0 0 335.433 1.995 10 0 EDAERN O=C(NC[C@@H]1CSCCS1)N1CCC[C@H](n2cncn2)C1 ZINC000132508073 138377727 /nfs/dbraw/zinc/37/77/27/138377727.db2.gz KKVFQGFLNHIWKG-NWDGAFQWSA-N 0 0 327.479 1.473 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)o1 ZINC000132520141 138378338 /nfs/dbraw/zinc/37/83/38/138378338.db2.gz CEMNCCPPIKQAGA-OCCSQVGLSA-N 0 0 328.434 1.825 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000187879527 236325098 /nfs/dbraw/zinc/32/50/98/236325098.db2.gz ZVBWRJRPUXIZKD-VHSXEESVSA-N 0 0 332.326 1.839 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1Cl ZINC000187920331 236340971 /nfs/dbraw/zinc/34/09/71/236340971.db2.gz JTVXSZCOWNRSBJ-UHFFFAOYSA-N 0 0 328.821 1.548 10 0 EDAERN Cc1nncn1CCNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188077450 236417131 /nfs/dbraw/zinc/41/71/31/236417131.db2.gz CUVQVCYDPIUJSN-NWDGAFQWSA-N 0 0 341.387 1.050 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000128935171 138623082 /nfs/dbraw/zinc/62/30/82/138623082.db2.gz MVWWFSYZIMZKJQ-CYBMUJFWSA-N 0 0 344.463 1.978 10 0 EDAERN O=S(=O)(c1ccc2nc(N3CCOCC3)ccc2c1)N1CCCC1 ZINC000033269255 202254161 /nfs/dbraw/zinc/25/41/61/202254161.db2.gz RCWSSAUZZXXUTJ-UHFFFAOYSA-N 0 0 347.440 1.856 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)no1 ZINC000171863872 138661622 /nfs/dbraw/zinc/66/16/22/138661622.db2.gz PFMUXDSVJQOACG-UHFFFAOYSA-N 0 0 346.435 1.678 10 0 EDAERN CCN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000170353699 138653722 /nfs/dbraw/zinc/65/37/22/138653722.db2.gz SZQCRISDQKUGKU-HNNXBMFYSA-N 0 0 343.471 1.907 10 0 EDAERN Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOCC3)C2)cc1F ZINC000173946789 138677460 /nfs/dbraw/zinc/67/74/60/138677460.db2.gz UZZZCAZQVLGWHV-ZBFHGGJFSA-N 0 0 335.423 1.868 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](CCO)CC(C)C)CC2 ZINC000174972107 138690096 /nfs/dbraw/zinc/69/00/96/138690096.db2.gz LQVNITSJBMADJT-KGLIPLIRSA-N 0 0 337.468 1.499 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NC3CN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000175850936 138701137 /nfs/dbraw/zinc/70/11/37/138701137.db2.gz YZGWZTMKVYOGIL-GFCCVEGCSA-N 0 0 349.435 1.538 10 0 EDAERN O=S(=O)(N1CCC[C@H](Cn2cncn2)C1)N1CCCCCC1 ZINC000180971067 138763322 /nfs/dbraw/zinc/76/33/22/138763322.db2.gz IKOXCBDTRBEQMK-CQSZACIVSA-N 0 0 327.454 1.111 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H](C)CN1CCCC1=O)CC2 ZINC000181499474 138769001 /nfs/dbraw/zinc/76/90/01/138769001.db2.gz BZIILSQXARHDDJ-QWHCGFSZSA-N 0 0 348.451 1.026 10 0 EDAERN COCc1cccc(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000189729898 237192367 /nfs/dbraw/zinc/19/23/67/237192367.db2.gz KTBWESDPJJYMOD-QGZVFWFLSA-N 0 0 328.416 1.906 10 0 EDAERN Cn1cncc1CCC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000189902534 237384093 /nfs/dbraw/zinc/38/40/93/237384093.db2.gz WWIUMCUXIZBIRP-AWEZNQCLSA-N 0 0 336.436 1.868 10 0 EDAERN CC(=O)c1ccc(N2CC[C@@H](C(=O)NCc3cccnc3)C2=O)cc1 ZINC000034695913 202275814 /nfs/dbraw/zinc/27/58/14/202275814.db2.gz AEJZKDXROTUYLL-KRWDZBQOSA-N 0 0 337.379 1.954 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)s2)no1 ZINC000036100930 202315857 /nfs/dbraw/zinc/31/58/57/202315857.db2.gz MEBUDRLDWSFOHJ-VIFPVBQESA-N 0 0 329.403 1.658 10 0 EDAERN COc1ccc([C@H]2CN(C(=O)N3CCOCC3)CCN2C)cc1OC ZINC000036133122 202317860 /nfs/dbraw/zinc/31/78/60/202317860.db2.gz AMWZZASEOGYDFI-OAHLLOKOSA-N 0 0 349.431 1.445 10 0 EDAERN CN1CCC[C@H](NS(=O)(=O)CCSc2ccc(N)cc2)C1 ZINC000070214550 202319483 /nfs/dbraw/zinc/31/94/83/202319483.db2.gz FJNQPGKOVJUQSA-ZDUSSCGKSA-N 0 0 329.491 1.375 10 0 EDAERN CC1(C)COCCN1S(=O)(=O)CCSc1ccc(N)cc1 ZINC000070214575 202319686 /nfs/dbraw/zinc/31/96/86/202319686.db2.gz JYWUYBVTOSELAY-UHFFFAOYSA-N 0 0 330.475 1.802 10 0 EDAERN CN(Cc1cn[nH]c1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000070230138 202320088 /nfs/dbraw/zinc/32/00/88/202320088.db2.gz ZPQYFNDVOARDSJ-UHFFFAOYSA-N 0 0 325.781 1.532 10 0 EDAERN CCOC(=O)c1nc2ccc(N)cn2c1CN1C[C@H](C)O[C@@H](C)C1 ZINC000036277659 202320393 /nfs/dbraw/zinc/32/03/93/202320393.db2.gz NIPFGICEERHJKH-RYUDHWBXSA-N 0 0 332.404 1.702 10 0 EDAERN CCCn1nc(C)c(S(=O)(=O)N(C)Cc2ccnn2CC)c1C ZINC000036615298 202327155 /nfs/dbraw/zinc/32/71/55/202327155.db2.gz GPNMCBROWPSANQ-UHFFFAOYSA-N 0 0 339.465 1.947 10 0 EDAERN C[C@H](CN1CCOCC1)NC(=O)c1ccc(N)c(Br)c1 ZINC000071395569 202349600 /nfs/dbraw/zinc/34/96/00/202349600.db2.gz ZGVUNXNNAYPFHX-SNVBAGLBSA-N 0 0 342.237 1.482 10 0 EDAERN CC[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000071246747 202342914 /nfs/dbraw/zinc/34/29/14/202342914.db2.gz LBXSGWWPWMOZAH-VIFPVBQESA-N 0 0 332.422 1.259 10 0 EDAERN Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1Br ZINC000071385073 202347444 /nfs/dbraw/zinc/34/74/44/202347444.db2.gz FOVOTQDHXKWQHG-VXGBXAGGSA-N 0 0 349.250 1.613 10 0 EDAERN COC(=O)c1ccc(Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1 ZINC000039771072 202414527 /nfs/dbraw/zinc/41/45/27/202414527.db2.gz VLFKVPKDRQAMKO-UHFFFAOYSA-N 0 0 335.385 1.862 10 0 EDAERN O=C(CN1C(=O)c2ccccc2C1=O)NC(=S)N1CCCCC1 ZINC000040901654 202467762 /nfs/dbraw/zinc/46/77/62/202467762.db2.gz SEXILWPSWAMDDJ-UHFFFAOYSA-N 0 0 331.397 1.170 10 0 EDAERN O=C(NCCC[C@H]1CCCCO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000184413997 138794738 /nfs/dbraw/zinc/79/47/38/138794738.db2.gz XPRQEOHWLMAEEO-CVEARBPZSA-N 0 0 336.436 1.643 10 0 EDAERN CCNC(=O)CN(CC)C(=O)c1cc(N)cc(Br)c1 ZINC000165697622 201072420 /nfs/dbraw/zinc/07/24/20/201072420.db2.gz RHSAIPNXKHNZGT-UHFFFAOYSA-N 0 0 328.210 1.630 10 0 EDAERN CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116418635 201075754 /nfs/dbraw/zinc/07/57/54/201075754.db2.gz OIIFEAQRRPKYJT-CQSZACIVSA-N 0 0 334.420 1.337 10 0 EDAERN CN(CC(F)F)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000136825458 201133821 /nfs/dbraw/zinc/13/38/21/201133821.db2.gz LSCSQFFRSFVVSN-UHFFFAOYSA-N 0 0 331.337 1.115 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)CC2 ZINC000136861489 201135002 /nfs/dbraw/zinc/13/50/02/201135002.db2.gz MZKMKDTYACNWOX-ZDUSSCGKSA-N 0 0 327.388 1.245 10 0 EDAERN COC(=O)C[C@H]1CN(C(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000148126919 201147101 /nfs/dbraw/zinc/14/71/01/201147101.db2.gz KXZZAHVUGCTWCJ-VIFPVBQESA-N 0 0 333.171 1.793 10 0 EDAERN CC(C)(C)c1nnsc1-c1nnc(S(N)(=O)=O)n1C1CC1 ZINC000158334058 201156750 /nfs/dbraw/zinc/15/67/50/201156750.db2.gz BXLWQIBOURKLQO-UHFFFAOYSA-N 0 0 328.423 1.076 10 0 EDAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000066317909 201157625 /nfs/dbraw/zinc/15/76/25/201157625.db2.gz OXDATOJMPVVPCP-MJBXVCDLSA-N 0 0 326.462 1.858 10 0 EDAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000188008946 138830587 /nfs/dbraw/zinc/83/05/87/138830587.db2.gz OGVUYPRETKOIQO-CQSZACIVSA-N 0 0 328.372 1.103 10 0 EDAERN COc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)nc1Br ZINC000188087963 138831530 /nfs/dbraw/zinc/83/15/30/138831530.db2.gz MKRFOPJFYMOJEL-MRVPVSSYSA-N 0 0 342.193 1.203 10 0 EDAERN NS(=O)(=O)c1ccc(N2C(=S)NC(=O)[C@@H]2c2ccccc2)cc1 ZINC000090742157 201373442 /nfs/dbraw/zinc/37/34/42/201373442.db2.gz LGUBRURDIJQSTP-ZDUSSCGKSA-N 0 0 347.421 1.296 10 0 EDAERN Nc1ccc(Cl)cc1-c1nnnn1C[C@H]1CCCS1(=O)=O ZINC000155454042 201398021 /nfs/dbraw/zinc/39/80/21/201398021.db2.gz LEPNGQILJJZFFK-SECBINFHSA-N 0 0 327.797 1.153 10 0 EDAERN C[C@@H](C(N)=S)N(C)S(=O)(=O)c1ccccc1Br ZINC000045146906 202545650 /nfs/dbraw/zinc/54/56/50/202545650.db2.gz DPVPLFNCZXGSNC-ZETCQYMHSA-N 0 0 337.264 1.744 10 0 EDAERN CS(=O)(=O)CCCNC(=O)c1cc(N)ccc1Br ZINC000045624465 202553577 /nfs/dbraw/zinc/55/35/77/202553577.db2.gz KEJAZOHYKIQMPV-UHFFFAOYSA-N 0 0 335.223 1.196 10 0 EDAERN CCN1CCN(Cc2ccc(Br)c(N)c2)C(=O)C1=O ZINC000159374333 201409313 /nfs/dbraw/zinc/40/93/13/201409313.db2.gz YFNVWXVHTSIRBQ-UHFFFAOYSA-N 0 0 326.194 1.222 10 0 EDAERN Cc1c(C(=O)NCc2ccccc2)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000049658060 202626138 /nfs/dbraw/zinc/62/61/38/202626138.db2.gz CSTCVBXARHJJSC-AWEZNQCLSA-N 0 0 333.413 1.481 10 0 EDAERN C[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)C(=O)N1CCCCC1 ZINC000189085318 138860550 /nfs/dbraw/zinc/86/05/50/138860550.db2.gz SGCBGWKQCSWUAD-CQSZACIVSA-N 0 0 346.431 1.049 10 0 EDAERN COc1cc(Br)ccc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000189236861 138864889 /nfs/dbraw/zinc/86/48/89/138864889.db2.gz FJLASINYUHKPGI-SECBINFHSA-N 0 0 341.205 1.808 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000189246833 138865078 /nfs/dbraw/zinc/86/50/78/138865078.db2.gz CJATXXNBTJIRIA-ZDUSSCGKSA-N 0 0 334.391 1.611 10 0 EDAERN O=C(c1noc2c1CCCC2)N1CCCO[C@H](Cn2cccn2)C1 ZINC000215232995 241115587 /nfs/dbraw/zinc/11/55/87/241115587.db2.gz GXYSUTRKVLIJMW-ZDUSSCGKSA-N 0 0 330.388 1.681 10 0 EDAERN Cc1cc(CC(=O)N2CCCn3nc([C@H](O)C4CCC4)cc3C2)on1 ZINC000222992624 241590322 /nfs/dbraw/zinc/59/03/22/241590322.db2.gz DOBSSGNKOPUURD-GOSISDBHSA-N 0 0 344.415 1.988 10 0 EDAERN O=C(CC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)nc1 ZINC000062327487 202796528 /nfs/dbraw/zinc/79/65/28/202796528.db2.gz CAKSSMCVUWQJQD-SECBINFHSA-N 0 0 347.234 1.998 10 0 EDAERN CCN1CCCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1=O ZINC000190457476 138891450 /nfs/dbraw/zinc/89/14/50/138891450.db2.gz JBTXULRHSMMITK-MRXNPFEDSA-N 0 0 325.453 1.254 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000190680747 138895109 /nfs/dbraw/zinc/89/51/09/138895109.db2.gz TZODJIQLKRYCGG-ZETCQYMHSA-N 0 0 345.733 1.294 10 0 EDAERN O=C(CNC(=O)c1ccc(Br)o1)NC[C@H]1CCC[C@H]1O ZINC000089159500 202800789 /nfs/dbraw/zinc/80/07/89/202800789.db2.gz YGBDKTCPRRPENR-RKDXNWHRSA-N 0 0 345.193 1.049 10 0 EDAERN COc1ccccc1Nc1ncccc1C(=O)N1CC(NC(C)=O)C1 ZINC000191494025 138915977 /nfs/dbraw/zinc/91/59/77/138915977.db2.gz SZWXQXZUTHIIQG-UHFFFAOYSA-N 0 0 340.383 1.794 10 0 EDAERN Cc1ccc(C)c(C(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)c1 ZINC000069443195 203001030 /nfs/dbraw/zinc/00/10/30/203001030.db2.gz PVHOXCMMBXBJFA-QGZVFWFLSA-N 0 0 343.471 1.930 10 0 EDAERN CCNC(=O)C1(NC(=O)c2ccc3nnc(C)n3c2)CCCCC1 ZINC000069583436 203022137 /nfs/dbraw/zinc/02/21/37/203022137.db2.gz LXVKDHKTAHRHKL-UHFFFAOYSA-N 0 0 329.404 1.607 10 0 EDAERN C[C@@H](C(=O)N1CCCCCC1)N1CCN(Cc2nccn2C)[C@H](C)C1 ZINC000069655244 203033416 /nfs/dbraw/zinc/03/34/16/203033416.db2.gz YVRPJFVYDBODQD-SJORKVTESA-N 0 0 347.507 1.717 10 0 EDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc2nccn2c1 ZINC000068260973 284087263 /nfs/dbraw/zinc/08/72/63/284087263.db2.gz WYFVQNLDZOCQQR-CQSZACIVSA-N 0 0 341.392 1.983 10 0 EDAERN Cc1cnc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)s1 ZINC000070816836 203081315 /nfs/dbraw/zinc/08/13/15/203081315.db2.gz PLJKGXDBBHGTQQ-UHFFFAOYSA-N 0 0 345.380 1.891 10 0 EDAERN Cc1csc(NC(=O)[C@@H](C)n2nc(-n3cccn3)ccc2=O)n1 ZINC000070873803 203082654 /nfs/dbraw/zinc/08/26/54/203082654.db2.gz SVHPJBHVMYBPOU-SNVBAGLBSA-N 0 0 330.373 1.394 10 0 EDAERN COc1ccc(NC(=O)[C@H](C)n2nc(-n3cccn3)ccc2=O)cc1 ZINC000070873707 203083098 /nfs/dbraw/zinc/08/30/98/203083098.db2.gz NVSLOMJBFIMBHL-LBPRGKRZSA-N 0 0 339.355 1.637 10 0 EDAERN CC1(C)OCC2(CN(S(=O)(=O)c3cc(F)ccc3F)C2)CO1 ZINC000070972157 203084845 /nfs/dbraw/zinc/08/48/45/203084845.db2.gz AVLMVDRZLSQPCT-UHFFFAOYSA-N 0 0 333.356 1.738 10 0 EDAERN COc1ccc(OC)c(-c2cc3c(N4CC[C@@H](O)C4)nccn3n2)c1 ZINC000070459377 203078297 /nfs/dbraw/zinc/07/82/97/203078297.db2.gz RMSCGAVJSDNJGA-GFCCVEGCSA-N 0 0 340.383 1.985 10 0 EDAERN CCOc1cccn2c1nc(CC)c2C(=O)N1CCN(C=O)CC1 ZINC000071461409 203097924 /nfs/dbraw/zinc/09/79/24/203097924.db2.gz MSVOGMUKBQFXLI-UHFFFAOYSA-N 0 0 330.388 1.210 10 0 EDAERN CCOC(=O)c1csc2ncn(CC(=O)N3CCCC3)c(=O)c12 ZINC000071526125 203098959 /nfs/dbraw/zinc/09/89/59/203098959.db2.gz UTUUEDIFRXKANL-UHFFFAOYSA-N 0 0 335.385 1.257 10 0 EDAERN COC(=O)CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCCO1 ZINC000071605349 203099805 /nfs/dbraw/zinc/09/98/05/203099805.db2.gz BFDOMFIHDXCAAZ-AWEZNQCLSA-N 0 0 335.356 1.486 10 0 EDAERN CC(=O)c1ccc(NC(=O)C(C)=CC(=O)N2CCC(=O)CC2)cc1 ZINC000071553236 203100504 /nfs/dbraw/zinc/10/05/04/203100504.db2.gz BLJZNBZBGOKIEX-QXMHVHEDSA-N 0 0 328.368 1.966 10 0 EDAERN CCOC(=O)CCN(C[C@@H](C)O)C(=O)CCC(=O)c1ccccc1 ZINC000071641370 203102079 /nfs/dbraw/zinc/10/20/79/203102079.db2.gz XLTDOWHWWMNHQH-CQSZACIVSA-N 0 0 335.400 1.812 10 0 EDAERN CCOC(=O)C[C@@H](N[C@H](CC)CO)C(=O)c1ccc(F)c(F)c1 ZINC000071660712 203102432 /nfs/dbraw/zinc/10/24/32/203102432.db2.gz XYYDBKBRYNIUSQ-BXUZGUMPSA-N 0 0 329.343 1.830 10 0 EDAERN COC(=O)C1CCN(C(=O)Cc2ccc3cccc(N)c3n2)CC1 ZINC000071698513 203103424 /nfs/dbraw/zinc/10/34/24/203103424.db2.gz FTSOZUKXNFMPTA-UHFFFAOYSA-N 0 0 327.384 1.771 10 0 EDAERN CCc1nnc(-n2ccc3c(C(=O)OC)c(C)nc(C)c3c2=O)[nH]1 ZINC000072452162 203226907 /nfs/dbraw/zinc/22/69/07/203226907.db2.gz AGIVIGLMKRFGBV-UHFFFAOYSA-N 0 0 327.344 1.470 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC(=O)NCc1ccco1 ZINC000076007974 203331456 /nfs/dbraw/zinc/33/14/56/203331456.db2.gz XWIONEZLFPDKDT-ZDUSSCGKSA-N 0 0 337.420 1.885 10 0 EDAERN COCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000076098274 203339226 /nfs/dbraw/zinc/33/92/26/203339226.db2.gz SJAIRMFGMQULCN-SKDRFNHKSA-N 0 0 326.780 1.828 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccnn1-c1ccccc1C ZINC000193262290 138964958 /nfs/dbraw/zinc/96/49/58/138964958.db2.gz PKUISHGGJBNGHU-UKRRQHHQSA-N 0 0 328.372 1.101 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)CNS(=O)(=O)CCOC(C)C)o1 ZINC000081405307 203478221 /nfs/dbraw/zinc/47/82/21/203478221.db2.gz BDYIDRZDLVGXGJ-LBPRGKRZSA-N 0 0 332.422 1.110 10 0 EDAERN CCN(C(=O)[C@@H](C)NC(=O)c1ccco1)[C@@H](C)CS(=O)(=O)CC ZINC000112957653 284198696 /nfs/dbraw/zinc/19/86/96/284198696.db2.gz ZFSYUJRJBVALFV-NWDGAFQWSA-N 0 0 344.433 1.070 10 0 EDAERN CCCn1c(Sc2cccc(S(C)(=O)=O)c2N)n[nH]c1=O ZINC000137958175 203704849 /nfs/dbraw/zinc/70/48/49/203704849.db2.gz CWAVGZABLJSZOT-UHFFFAOYSA-N 0 0 328.419 1.118 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2C)C1 ZINC000102102394 204032329 /nfs/dbraw/zinc/03/23/29/204032329.db2.gz OIOJUQSPRSCYFN-AWEZNQCLSA-N 0 0 349.406 1.980 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000103385823 204077599 /nfs/dbraw/zinc/07/75/99/204077599.db2.gz PGXUYUVJHXEREB-NSHDSACASA-N 0 0 328.434 1.984 10 0 EDAERN COc1ccc(F)c(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000151913278 204151183 /nfs/dbraw/zinc/15/11/83/204151183.db2.gz LIPHQALLZUTZFB-ZDUSSCGKSA-N 0 0 335.339 1.866 10 0 EDAERN C[C@H](NC(=O)CN1CCCN(c2cccnn2)CC1)c1cccs1 ZINC000105798656 204159749 /nfs/dbraw/zinc/15/97/49/204159749.db2.gz QKPLXWYLTZSEKG-AWEZNQCLSA-N 0 0 345.472 1.928 10 0 EDAERN CCCN(CCC)C(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105801011 204159773 /nfs/dbraw/zinc/15/97/73/204159773.db2.gz MVGGYSAIWKQVCS-UHFFFAOYSA-N 0 0 333.480 1.946 10 0 EDAERN CCc1noc([C@@H](C)NC[C@@H]2CCCN2c2cc(NC)ncn2)n1 ZINC000105797812 204159898 /nfs/dbraw/zinc/15/98/98/204159898.db2.gz UYIUWHCYJPLODX-NEPJUHHUSA-N 0 0 331.424 1.783 10 0 EDAERN CC(C)CN(C(=O)CN1CCCN(c2cccnn2)CC1)C1CC1 ZINC000105800051 204160508 /nfs/dbraw/zinc/16/05/08/204160508.db2.gz NSWQOAXBOYHLLE-UHFFFAOYSA-N 0 0 331.464 1.636 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000105832310 204167326 /nfs/dbraw/zinc/16/73/26/204167326.db2.gz YFENHIOOIFPJJY-GJZGRUSLSA-N 0 0 347.459 1.869 10 0 EDAERN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000105283234 204139566 /nfs/dbraw/zinc/13/95/66/204139566.db2.gz GCLRSHGBRKDNGM-CJNGLKHVSA-N 0 0 348.447 1.667 10 0 EDAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(N)ccc1Cl ZINC000042712098 204141008 /nfs/dbraw/zinc/14/10/08/204141008.db2.gz BOHYEBQZDIJMIB-NSHDSACASA-N 0 0 332.809 1.638 10 0 EDAERN CCN([C@@H](C)COC)S(=O)(=O)Cc1ccccc1C(N)=S ZINC000042780820 204144054 /nfs/dbraw/zinc/14/40/54/204144054.db2.gz FONFIDIZGMIAER-NSHDSACASA-N 0 0 330.475 1.507 10 0 EDAERN O=C1OCC[C@@H]1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865590 204171815 /nfs/dbraw/zinc/17/18/15/204171815.db2.gz UKZGYJOVNHHYCM-KRWDZBQOSA-N 0 0 326.400 1.305 10 0 EDAERN COC(=O)c1coc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1 ZINC000105866009 204172679 /nfs/dbraw/zinc/17/26/79/204172679.db2.gz WNLJNRPUFOGOHD-UHFFFAOYSA-N 0 0 346.431 1.734 10 0 EDAERN C[C@@H](c1nnnn1-c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000105890257 204176519 /nfs/dbraw/zinc/17/65/19/204176519.db2.gz IPJRUFGAXNASJV-HOCLYGCPSA-N 0 0 339.403 1.321 10 0 EDAERN CC(C)(C)c1cc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)on1 ZINC000105898504 204177887 /nfs/dbraw/zinc/17/78/87/204177887.db2.gz KGTHEDYAWCXFRV-GFCCVEGCSA-N 0 0 332.408 1.839 10 0 EDAERN Cn1cc(N2CCC[C@@H](N3CC[C@H](Oc4cccnc4)C3)C2=O)cn1 ZINC000152399561 204295048 /nfs/dbraw/zinc/29/50/48/204295048.db2.gz MQCWGTTXKBWWGM-DLBZAZTESA-N 0 0 341.415 1.464 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)CCCS(C)(=O)=O)C1 ZINC000108815410 204272856 /nfs/dbraw/zinc/27/28/56/204272856.db2.gz DUAVPARVBUOJFE-CYBMUJFWSA-N 0 0 327.450 1.434 10 0 EDAERN Cc1cnn(CCNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 ZINC000108949047 204273963 /nfs/dbraw/zinc/27/39/63/204273963.db2.gz BDIYBLWEGGQXSJ-UHFFFAOYSA-N 0 0 349.460 1.873 10 0 EDAERN CCOC(=O)N1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)CC1 ZINC000110111190 204302396 /nfs/dbraw/zinc/30/23/96/204302396.db2.gz YHABOAIELMMQGJ-CQSZACIVSA-N 0 0 333.436 1.991 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCOC3(CCCC3)C1)CC2 ZINC000152452038 204324947 /nfs/dbraw/zinc/32/49/47/204324947.db2.gz AKLWUNIQZUMZMS-KGLIPLIRSA-N 0 0 347.463 1.946 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccnc(Cl)c3)CC2)n1 ZINC000110892976 204326225 /nfs/dbraw/zinc/32/62/25/204326225.db2.gz HRMTVPLLSHVNGC-SNVBAGLBSA-N 0 0 335.795 1.945 10 0 EDAERN CC(=O)Nc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111087879 204335446 /nfs/dbraw/zinc/33/54/46/204335446.db2.gz RUNVBQUTRMSHLY-INIZCTEOSA-N 0 0 328.372 1.383 10 0 EDAERN COC[C@H](O)CN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000047952181 204338666 /nfs/dbraw/zinc/33/86/66/204338666.db2.gz YYTMTYHAKZVWFV-MRVPVSSYSA-N 0 0 328.217 1.621 10 0 EDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 ZINC000111361758 204352635 /nfs/dbraw/zinc/35/26/35/204352635.db2.gz SSRMOXJCGCLGIS-AWEZNQCLSA-N 0 0 337.449 1.568 10 0 EDAERN COCCCNC(=O)[C@H](C)Oc1ccc(C(N)=S)cc1Cl ZINC000048786548 204354329 /nfs/dbraw/zinc/35/43/29/204354329.db2.gz KORHCRJYSBCKNY-VIFPVBQESA-N 0 0 330.837 1.894 10 0 EDAERN CC[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000049095038 204366915 /nfs/dbraw/zinc/36/69/15/204366915.db2.gz PVAUKBDLIQLHBK-ZJUUUORDSA-N 0 0 337.438 1.942 10 0 EDAERN CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000049192678 204373914 /nfs/dbraw/zinc/37/39/14/204373914.db2.gz ABYJXYXEBKBWCQ-ZETCQYMHSA-N 0 0 337.804 1.254 10 0 EDAERN COc1cccc(CCNC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111814000 204374645 /nfs/dbraw/zinc/37/46/45/204374645.db2.gz ZSTWGBCMNXAUKM-KRWDZBQOSA-N 0 0 344.415 1.545 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000111211502 204342111 /nfs/dbraw/zinc/34/21/11/204342111.db2.gz ICNBDSARPAMMOV-LBPRGKRZSA-N 0 0 338.408 1.351 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccn(-c2cccc(F)c2)n1 ZINC000112650132 204408414 /nfs/dbraw/zinc/40/84/14/204408414.db2.gz JFVHGLGGTVZROT-LBPRGKRZSA-N 0 0 326.335 1.348 10 0 EDAERN O=C(Nc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1)NC1CC1 ZINC000112650552 204408982 /nfs/dbraw/zinc/40/89/82/204408982.db2.gz SZWNMUSSQSJQFK-CQSZACIVSA-N 0 0 340.387 1.307 10 0 EDAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000112663417 204409971 /nfs/dbraw/zinc/40/99/71/204409971.db2.gz AQEYPWQSKFKIGO-NSHDSACASA-N 0 0 331.376 1.145 10 0 EDAERN COc1ccc(CC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1F ZINC000112063624 204381648 /nfs/dbraw/zinc/38/16/48/204381648.db2.gz YENLYUSVVFUQPI-HNNXBMFYSA-N 0 0 347.390 1.809 10 0 EDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)c1 ZINC000112094441 204382652 /nfs/dbraw/zinc/38/26/52/204382652.db2.gz NXTRIYTZESNOHV-INIZCTEOSA-N 0 0 349.456 1.898 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(C(=O)Cc3ccccc3O)CC2)n1 ZINC000112117221 204384353 /nfs/dbraw/zinc/38/43/53/204384353.db2.gz PNAFOKHPIQVTOU-CYBMUJFWSA-N 0 0 344.415 1.786 10 0 EDAERN COc1cccc(OC)c1C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112117757 204384584 /nfs/dbraw/zinc/38/45/84/204384584.db2.gz ZUXIJIRLQGIMTH-AWEZNQCLSA-N 0 0 345.399 1.750 10 0 EDAERN Cc1ccccc1NC(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195428534 139016188 /nfs/dbraw/zinc/01/61/88/139016188.db2.gz TYYNKLFMLWQVKR-UHFFFAOYSA-N 0 0 337.405 1.116 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C1)C1CC1 ZINC000195461611 139017118 /nfs/dbraw/zinc/01/71/18/139017118.db2.gz AVNNSNLDOBMWDL-UHFFFAOYSA-N 0 0 337.376 1.206 10 0 EDAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195505919 139018240 /nfs/dbraw/zinc/01/82/40/139018240.db2.gz FLQBYEVAWSZYSQ-HNNXBMFYSA-N 0 0 336.436 1.293 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)CN1CCC(c2cc[nH]n2)CC1)C(=O)OC ZINC000195505924 139018372 /nfs/dbraw/zinc/01/83/72/139018372.db2.gz QLLRLJDEZZGESL-WBMJQRKESA-N 0 0 336.436 1.293 10 0 EDAERN COc1ccc(C(=O)[N-]C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195506019 139018519 /nfs/dbraw/zinc/01/85/19/139018519.db2.gz NNALTTVITXNZME-UHFFFAOYSA-N 0 0 342.399 1.554 10 0 EDAERN CCOC(=O)[C@H](C)NCC(=O)Nc1cccc(Br)c1 ZINC000049372527 214002608 /nfs/dbraw/zinc/00/26/08/214002608.db2.gz XULYHENKCGDRNQ-VIFPVBQESA-N 0 0 329.194 1.929 10 0 EDAERN Cc1c(C(=O)N[C@@H]2C[C@@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000087899972 291529681 /nfs/dbraw/zinc/52/96/81/291529681.db2.gz QPDMKNWCVTXKRV-QUBYGPBYSA-N 0 0 347.234 1.543 10 0 EDAERN COCCN1CCN(C(=O)CCc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000117286188 204561196 /nfs/dbraw/zinc/56/11/96/204561196.db2.gz YDGBENNIEZUVCX-AWEZNQCLSA-N 0 0 338.423 1.946 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)NCC1CCCCC1 ZINC000195519700 139019409 /nfs/dbraw/zinc/01/94/09/139019409.db2.gz IJGRTIFGBZHHSE-UHFFFAOYSA-N 0 0 327.450 1.514 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000195519823 139019563 /nfs/dbraw/zinc/01/95/63/139019563.db2.gz UAEHZAMMAOXIFV-CHWSQXEVSA-N 0 0 327.450 1.322 10 0 EDAERN O=C(c1ccc(Cl)c(Br)c1)N1CCO[C@@H](CO)C1 ZINC000229012901 139023625 /nfs/dbraw/zinc/02/36/25/139023625.db2.gz IPIHRPPIQCJSIO-SECBINFHSA-N 0 0 334.597 1.936 10 0 EDAERN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000125337653 205006510 /nfs/dbraw/zinc/00/65/10/205006510.db2.gz VKNUZXKKEJBQJO-CQSZACIVSA-N 0 0 337.807 1.991 10 0 EDAERN CN(CC(=O)N1CCC(Cn2cccn2)CC1)C(=O)OC(C)(C)C ZINC000126234478 205046705 /nfs/dbraw/zinc/04/67/05/205046705.db2.gz OEVDJRDVFHKJDS-UHFFFAOYSA-N 0 0 336.436 1.989 10 0 EDAERN C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCC(Cn3cccn3)CC1)CS2 ZINC000126277816 205047780 /nfs/dbraw/zinc/04/77/80/205047780.db2.gz RNGDQEATIPWQFW-WMLDXEAASA-N 0 0 348.472 1.576 10 0 EDAERN Cc1cc(CC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)n[nH]1 ZINC000126421241 205056192 /nfs/dbraw/zinc/05/61/92/205056192.db2.gz DXLNNCDIOWKMIC-HIFRSBDPSA-N 0 0 348.472 1.900 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(C2N=NC(=S)O2)cc1 ZINC000127040116 205082891 /nfs/dbraw/zinc/08/28/91/205082891.db2.gz FBRKTZZMQZDPJJ-NSHDSACASA-N 0 0 342.384 1.362 10 0 EDAERN O=Cc1cccc(OCC(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000127709468 205113581 /nfs/dbraw/zinc/11/35/81/205113581.db2.gz IIXRTDHDXMEHTK-HNNXBMFYSA-N 0 0 328.372 1.408 10 0 EDAERN CN(C(=O)Cc1ccccc1O)[C@H]1CCCN(c2cccnn2)C1 ZINC000127823979 205118407 /nfs/dbraw/zinc/11/84/07/205118407.db2.gz QJNVBWFKPGGKDM-HNNXBMFYSA-N 0 0 326.400 1.852 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000127475382 205101595 /nfs/dbraw/zinc/10/15/95/205101595.db2.gz WUNYVUQPMDZLLP-LBPRGKRZSA-N 0 0 340.445 1.373 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000156850746 205131392 /nfs/dbraw/zinc/13/13/92/205131392.db2.gz NYYWNDKYIZALLL-UHFFFAOYSA-N 0 0 344.463 1.902 10 0 EDAERN O=C(C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc(Cl)cc1 ZINC000111082830 220097804 /nfs/dbraw/zinc/09/78/04/220097804.db2.gz VJUKVWZMAOREGQ-AWEZNQCLSA-N 0 0 333.775 1.647 10 0 EDAERN COc1ccc(-c2cc(C(=O)NC[C@H](C)N3CCOCC3)[nH]n2)cc1 ZINC000129394105 205193764 /nfs/dbraw/zinc/19/37/64/205193764.db2.gz LZWDJJGTZKXGKV-ZDUSSCGKSA-N 0 0 344.415 1.536 10 0 EDAERN COc1ccc(CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)cn1 ZINC000157738161 205249412 /nfs/dbraw/zinc/24/94/12/205249412.db2.gz UWDFAUJGZUQFNU-NSHDSACASA-N 0 0 330.392 1.578 10 0 EDAERN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000237502189 139052689 /nfs/dbraw/zinc/05/26/89/139052689.db2.gz CHMQGXWYZYAWMM-LBPRGKRZSA-N 0 0 340.445 1.703 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1ccccc1 ZINC000133027072 205352498 /nfs/dbraw/zinc/35/24/98/205352498.db2.gz YZRPDIFPNVOZTQ-UONOGXRCSA-N 0 0 329.404 1.708 10 0 EDAERN C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1ccc(F)c(F)c1 ZINC000136121396 205492451 /nfs/dbraw/zinc/49/24/51/205492451.db2.gz XQJAZHOCAYTOKE-SECBINFHSA-N 0 0 325.315 1.113 10 0 EDAERN O=C(/C=C/c1ccccc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136400694 205502541 /nfs/dbraw/zinc/50/25/41/205502541.db2.gz ZOTXOEXCQWWPSQ-RMKNXTFCSA-N 0 0 334.383 1.486 10 0 EDAERN NS(=O)(=O)c1cc(C(=O)NCC(F)F)cc(Cl)c1Cl ZINC000136649024 205507757 /nfs/dbraw/zinc/50/77/57/205507757.db2.gz UMMLQFWURFUCRI-UHFFFAOYSA-N 0 0 333.143 1.636 10 0 EDAERN CCOCCCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111831557 220202340 /nfs/dbraw/zinc/20/23/40/220202340.db2.gz DHVFOXLRTLGRFM-MRXNPFEDSA-N 0 0 338.452 1.727 10 0 EDAERN COC(=O)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000151485473 205644663 /nfs/dbraw/zinc/64/46/63/205644663.db2.gz OATXXIKOZVSKMW-UKRRQHHQSA-N 0 0 346.427 1.841 10 0 EDAERN Cc1nncn1CCNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000152233828 205720670 /nfs/dbraw/zinc/72/06/70/205720670.db2.gz UMFNOSYNHVRKII-INIZCTEOSA-N 0 0 343.431 1.466 10 0 EDAERN COCCn1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)n1 ZINC000153363555 205842855 /nfs/dbraw/zinc/84/28/55/205842855.db2.gz BQFKBCBSAVHCNI-UHFFFAOYSA-N 0 0 332.408 1.670 10 0 EDAERN C[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@@H]1N1CCOCC1 ZINC000154070476 205905423 /nfs/dbraw/zinc/90/54/23/205905423.db2.gz XAVIJPVZUBIAFN-PBHICJAKSA-N 0 0 341.415 1.060 10 0 EDAERN CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000245678778 139082855 /nfs/dbraw/zinc/08/28/55/139082855.db2.gz JNJDGUCCQCCQQM-CZUORRHYSA-N 0 0 338.473 1.939 10 0 EDAERN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000156795646 206099852 /nfs/dbraw/zinc/09/98/52/206099852.db2.gz HWIKBWVBJUTMHC-LLVKDONJSA-N 0 0 337.742 1.660 10 0 EDAERN CCc1nn(C)c(C[C@H](NN)[C@@H]2CCSC2)c1Br ZINC000157930078 206164135 /nfs/dbraw/zinc/16/41/35/206164135.db2.gz ILYPGPBYHZXKTM-SCZZXKLOSA-N 0 0 333.299 1.873 10 0 EDAERN O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000158287419 206183327 /nfs/dbraw/zinc/18/33/27/206183327.db2.gz QLQYVKYBZNSZHO-MWLCHTKSSA-N 0 0 348.325 1.051 10 0 EDAERN CCn1ncc2ccc(NC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3O)cc21 ZINC000158506022 206194653 /nfs/dbraw/zinc/19/46/53/206194653.db2.gz XYLHVKUCPMAZJS-BBRMVZONSA-N 0 0 344.415 1.662 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)Nc2nnc(C(F)F)s2)C[C@H]1C ZINC000246054614 139093397 /nfs/dbraw/zinc/09/33/97/139093397.db2.gz QEWRONXDFOJHQW-SFYZADRCSA-N 0 0 335.380 1.395 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000159307025 206236890 /nfs/dbraw/zinc/23/68/90/206236890.db2.gz FVKCTIDXGCFKHM-UHFFFAOYSA-N 0 0 337.449 1.339 10 0 EDAERN C[C@@H]1CN(CC(=O)Nc2cc(F)ccc2F)C[C@H]1N1CCOCC1 ZINC000246370971 139105889 /nfs/dbraw/zinc/10/58/89/139105889.db2.gz HJRHZXZPXDMMJB-MLGOLLRUSA-N 0 0 339.386 1.556 10 0 EDAERN C[C@@H](NC(=O)CN1CCCC[C@H]1c1cn[nH]c1)C(=O)N1CCCCC1 ZINC000246431697 139108206 /nfs/dbraw/zinc/10/82/06/139108206.db2.gz VHWCUOUIZJYKDI-ZBFHGGJFSA-N 0 0 347.463 1.454 10 0 EDAERN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)C[C@H]1N1CCOCC1 ZINC000246509712 139111448 /nfs/dbraw/zinc/11/14/48/139111448.db2.gz QOTYAVHAYCQIQP-TZMCWYRMSA-N 0 0 338.839 1.326 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)Cn2cccn2)c2cccs2)CCO1 ZINC000246653963 139116394 /nfs/dbraw/zinc/11/63/94/139116394.db2.gz BXTYBLROSMLBAT-ZIAGYGMSSA-N 0 0 334.445 1.523 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C[C@@H]1C ZINC000246714996 139118376 /nfs/dbraw/zinc/11/83/76/139118376.db2.gz LAGAQXCTMROHFR-NZBPQXDJSA-N 0 0 338.398 1.982 10 0 EDAERN CCCS(=O)(=O)CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246805249 139122528 /nfs/dbraw/zinc/12/25/28/139122528.db2.gz SXMYEICGDGHXGI-WFASDCNBSA-N 0 0 333.400 1.897 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)N(C)C3CCCCC3)CCO2)[nH]1 ZINC000246839362 139123896 /nfs/dbraw/zinc/12/38/96/139123896.db2.gz DHSWPYBSAOAMEH-IUODEOHRSA-N 0 0 335.452 1.666 10 0 EDAERN CC(C)CCC[C@H](C)NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246839664 139123912 /nfs/dbraw/zinc/12/39/12/139123912.db2.gz DIKXASWYVUCNMX-DLBZAZTESA-N 0 0 325.497 1.724 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)c1c(F)cccc1Br ZINC000160954330 206319877 /nfs/dbraw/zinc/31/98/77/206319877.db2.gz ZAVBTLLOHNHNMF-JTQLQIEISA-N 0 0 329.169 1.939 10 0 EDAERN COc1cc(Br)c(N)cc1S(=O)(=O)NCC1CC1 ZINC000161190072 206333786 /nfs/dbraw/zinc/33/37/86/206333786.db2.gz KXEIWVCPCWHXNA-UHFFFAOYSA-N 0 0 335.223 1.728 10 0 EDAERN O=S(=O)(NCc1cn[nH]c1)c1ccc(Br)cc1F ZINC000161884961 206375239 /nfs/dbraw/zinc/37/52/39/206375239.db2.gz JAMNHXXTXVUUST-UHFFFAOYSA-N 0 0 334.170 1.790 10 0 EDAERN C[C@H](NCc1ccc(I)o1)C(=O)NC1CC1 ZINC000161740924 206368547 /nfs/dbraw/zinc/36/85/47/206368547.db2.gz CUNRNPLEALNCLV-ZETCQYMHSA-N 0 0 334.157 1.641 10 0 EDAERN Cc1nccc(-c2nc(C)c(I)c(N)n2)n1 ZINC000162640098 206415493 /nfs/dbraw/zinc/41/54/93/206415493.db2.gz BMQYFNUVIILKTL-UHFFFAOYSA-N 0 0 327.129 1.737 10 0 EDAERN CS(=O)(=O)[C@H]1CSCCN1c1ccncc1Br ZINC000164074500 206480456 /nfs/dbraw/zinc/48/04/56/206480456.db2.gz QSJPMNURWNKQSK-JTQLQIEISA-N 0 0 337.264 1.768 10 0 EDAERN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247154557 139138036 /nfs/dbraw/zinc/13/80/36/139138036.db2.gz LVFXVGXGKYNZCI-YYIAUSFCSA-N 0 0 334.464 1.762 10 0 EDAERN C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C[C@@H]1N1CCOCC1 ZINC000247162149 139138068 /nfs/dbraw/zinc/13/80/68/139138068.db2.gz QMJSXUMIVHWEAT-BJCAYOAGSA-N 0 0 334.460 1.561 10 0 EDAERN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247170043 139138515 /nfs/dbraw/zinc/13/85/15/139138515.db2.gz RECVKTBPRKQNNI-UONOGXRCSA-N 0 0 349.397 1.194 10 0 EDAERN C[C@H](C(=O)Nc1c(F)cccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000247190897 139139842 /nfs/dbraw/zinc/13/98/42/139139842.db2.gz SSUAXCCUZSKUCZ-CHWSQXEVSA-N 0 0 339.386 1.698 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CCO2)[nH]1 ZINC000247201869 139140306 /nfs/dbraw/zinc/14/03/06/139140306.db2.gz ULYAEBJXVYFONO-WWGRRREGSA-N 0 0 343.431 1.752 10 0 EDAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000247266871 139143165 /nfs/dbraw/zinc/14/31/65/139143165.db2.gz XWONKBHTMCROGX-OCCSQVGLSA-N 0 0 345.399 1.138 10 0 EDAERN O=C([O-])[C@H]1C[NH2+]CCN1Cc1ccc(Br)cc1Cl ZINC000168247079 206543764 /nfs/dbraw/zinc/54/37/64/206543764.db2.gz AKISGJNCAJNFQW-LLVKDONJSA-N 0 0 333.613 1.961 10 0 EDAERN COc1cc(NC(=O)Cn2cc(N)cn2)ccc1Br ZINC000168808491 206546814 /nfs/dbraw/zinc/54/68/14/206546814.db2.gz RIXLEVNNEHZQGE-UHFFFAOYSA-N 0 0 325.166 1.875 10 0 EDAERN O=C(C1=NNC(=O)CC1)N1CCc2noc(-c3ccc(F)cc3)c2C1 ZINC000170485124 206576757 /nfs/dbraw/zinc/57/67/57/206576757.db2.gz VFOHFENDFNTZDU-UHFFFAOYSA-N 0 0 342.330 1.631 10 0 EDAERN O=C(C1=NNC(=O)CC1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000170499763 206577856 /nfs/dbraw/zinc/57/78/56/206577856.db2.gz CYQYLJWFSIUYBW-UHFFFAOYSA-N 0 0 325.372 1.535 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)Nc2nc3c(s2)CCCC3)C[C@H]1C ZINC000247571447 139152501 /nfs/dbraw/zinc/15/25/01/139152501.db2.gz RVDOKSLOFWYAKA-NEPJUHHUSA-N 0 0 338.477 1.941 10 0 EDAERN O[C@@H](C[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccc(F)cc1Cl ZINC000248553796 139167211 /nfs/dbraw/zinc/16/72/11/139167211.db2.gz JTMHWLZUNCNZOJ-CJNGLKHVSA-N 0 0 328.815 1.919 10 0 EDAERN Cc1cccc2c1N(C1CC1)CCN2C[C@@H](O)CN1CCCC1=O ZINC000248580083 139168226 /nfs/dbraw/zinc/16/82/26/139168226.db2.gz VNILCIVLATUFGE-MRXNPFEDSA-N 0 0 329.444 1.767 10 0 EDAERN O=C([O-])[C@]12CCC[NH2+][C@@H]1CCN(C(=O)c1noc3c1CCCC3)C2 ZINC000072156643 304214682 /nfs/dbraw/zinc/21/46/82/304214682.db2.gz UBHNLSADYOJVDU-DYVFJYSZSA-N 0 0 333.388 1.222 10 0 EDAERN Cc1cc(CN2CCOC[C@@H]2C(N)=O)nc(-c2ccc(Cl)cc2)n1 ZINC000092229550 218127724 /nfs/dbraw/zinc/12/77/24/218127724.db2.gz ANJVYZTZUBMGEJ-OAHLLOKOSA-N 0 0 346.818 1.792 10 0 EDAERN NC(=O)[C@@H]1COCCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000092229975 218128085 /nfs/dbraw/zinc/12/80/85/218128085.db2.gz JSDXFFWCUROXJJ-LBPRGKRZSA-N 0 0 346.214 1.508 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000248912239 139180325 /nfs/dbraw/zinc/18/03/25/139180325.db2.gz NGQOYNLJRKOKQH-AYRXBEOTSA-N 0 0 338.398 1.982 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000249110670 139186062 /nfs/dbraw/zinc/18/60/62/139186062.db2.gz XTYVLDBDLCWTAL-DVVUODLYSA-N 0 0 326.318 1.944 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N(C)CC(F)(F)F ZINC000249707380 139197242 /nfs/dbraw/zinc/19/72/42/139197242.db2.gz BLPWOQSBYFWQSB-UTUOFQBUSA-N 0 0 336.354 1.813 10 0 EDAERN CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171745137 206746084 /nfs/dbraw/zinc/74/60/84/206746084.db2.gz IOUGGJXDOBYSJN-NWDGAFQWSA-N 0 0 346.399 1.512 10 0 EDAERN COCc1cccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000172075857 206785501 /nfs/dbraw/zinc/78/55/01/206785501.db2.gz DJYVMEUTCAMKED-CQSZACIVSA-N 0 0 335.429 1.745 10 0 EDAERN CN(C)C(=O)Cn1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000173778120 206957832 /nfs/dbraw/zinc/95/78/32/206957832.db2.gz RPMFWUCIRNMIQX-GHMZBOCLSA-N 0 0 349.341 1.387 10 0 EDAERN CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262087208 139249862 /nfs/dbraw/zinc/24/98/62/139249862.db2.gz CANJHIGPMOGIQJ-DLBZAZTESA-N 0 0 346.427 1.599 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1C ZINC000174308247 207009023 /nfs/dbraw/zinc/00/90/23/207009023.db2.gz ZBWLAFOUVANHIV-UONOGXRCSA-N 0 0 333.432 1.481 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@H](CC(N)=O)C1)C(C)C ZINC000174726239 207050529 /nfs/dbraw/zinc/05/05/29/207050529.db2.gz AUAYSSWAXXSTQW-CZUORRHYSA-N 0 0 325.453 1.287 10 0 EDAERN CN(C(=O)c1ccc(NC=O)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000175006510 207083833 /nfs/dbraw/zinc/08/38/33/207083833.db2.gz BXBGKBVYSRFUCY-MRXNPFEDSA-N 0 0 339.399 1.786 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@H](O)CC)CC2)cc1 ZINC000175340611 207117600 /nfs/dbraw/zinc/11/76/00/207117600.db2.gz VFAFRGQUYZJKIW-MRXNPFEDSA-N 0 0 348.447 1.357 10 0 EDAERN COCCN1CCN(C(=O)N[C@H](COC)c2ccc(C)o2)C[C@H]1C ZINC000175657282 207146434 /nfs/dbraw/zinc/14/64/34/207146434.db2.gz SGLQYEPLCGXGIM-UKRRQHHQSA-N 0 0 339.436 1.638 10 0 EDAERN O=C(Nc1cccc(Cl)c1F)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176099972 207190780 /nfs/dbraw/zinc/19/07/80/207190780.db2.gz GZHCHNPAASWEOB-SNVBAGLBSA-N 0 0 337.742 1.660 10 0 EDAERN Cc1nn(C)c(=O)c(-c2nc(CSC[C@H](O)CO)cs2)c1C ZINC000176709733 207253095 /nfs/dbraw/zinc/25/30/95/207253095.db2.gz AOJJERGBEBMOEE-LLVKDONJSA-N 0 0 341.458 1.107 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)[C@@H]3CSCCS3)CC2)nn1 ZINC000177191597 207304289 /nfs/dbraw/zinc/30/42/89/207304289.db2.gz OYHUYUPXFSIZIT-ZDUSSCGKSA-N 0 0 338.502 1.672 10 0 EDAERN COc1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1O ZINC000177419410 207334830 /nfs/dbraw/zinc/33/48/30/207334830.db2.gz AAUISMYKZMMUEA-CQSZACIVSA-N 0 0 330.388 1.972 10 0 EDAERN COc1cccc(OCCCNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177360054 207326844 /nfs/dbraw/zinc/32/68/44/207326844.db2.gz OBZGRGYRSFELDR-HNNXBMFYSA-N 0 0 345.403 1.890 10 0 EDAERN C[C@H](SC[C@@H](O)CO)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000177446448 207339128 /nfs/dbraw/zinc/33/91/28/207339128.db2.gz DTTXBPLRYHHVSQ-WHFBIAKZSA-N 0 0 345.289 1.796 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CCCc3n[nH]cc31)CC2 ZINC000177481850 207342365 /nfs/dbraw/zinc/34/23/65/207342365.db2.gz INKSZNKVZOYILW-NEPJUHHUSA-N 0 0 328.420 1.676 10 0 EDAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177523110 207348706 /nfs/dbraw/zinc/34/87/06/207348706.db2.gz LCKBUJDHVADJSP-GFCCVEGCSA-N 0 0 335.360 1.821 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)c(C)c2)CCN1C[C@@H](C)O ZINC000177612797 207363368 /nfs/dbraw/zinc/36/33/68/207363368.db2.gz GIRYYPOZKFWEPI-WBVHZDCISA-N 0 0 347.459 1.546 10 0 EDAERN CCCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177624833 207365422 /nfs/dbraw/zinc/36/54/22/207365422.db2.gz UBJBVQYBYMBWEU-ZDUSSCGKSA-N 0 0 343.387 1.137 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000177618637 207366368 /nfs/dbraw/zinc/36/63/68/207366368.db2.gz WIGHWXIHLUCREI-YPMHNXCESA-N 0 0 347.325 1.701 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1nc(-c2ccco2)no1 ZINC000177692797 207379909 /nfs/dbraw/zinc/37/99/09/207379909.db2.gz CLIMRSAYTPLQON-LLVKDONJSA-N 0 0 342.359 1.813 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177715442 207381444 /nfs/dbraw/zinc/38/14/44/207381444.db2.gz AHCSALWWDLMCTC-CZUORRHYSA-N 0 0 346.431 1.231 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccn3ccnc3c2)C[C@@H]1C ZINC000177782598 207396208 /nfs/dbraw/zinc/39/62/08/207396208.db2.gz BWZUZFAXRAEPLO-AWEZNQCLSA-N 0 0 331.420 1.196 10 0 EDAERN Cc1ccccc1NC(=O)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000177965225 207423130 /nfs/dbraw/zinc/42/31/30/207423130.db2.gz JVBRHRDKOQQYBZ-UHFFFAOYSA-N 0 0 339.399 1.827 10 0 EDAERN CNC(=O)C(C)(C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000179004231 207563223 /nfs/dbraw/zinc/56/32/23/207563223.db2.gz FDWKOOCNNXBGDO-ZBFHGGJFSA-N 0 0 345.443 1.485 10 0 EDAERN CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000179564262 207650148 /nfs/dbraw/zinc/65/01/48/207650148.db2.gz UZUUSUIDQFFPFG-AWEZNQCLSA-N 0 0 342.399 1.978 10 0 EDAERN COCCOc1cc(C(=O)N2CCC(Cn3cccn3)CC2)ccn1 ZINC000180444444 207778439 /nfs/dbraw/zinc/77/84/39/207778439.db2.gz KNHCUWYWWHJAHS-UHFFFAOYSA-N 0 0 344.415 1.856 10 0 EDAERN O=S(=O)(Cc1ccccc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000180969370 207864466 /nfs/dbraw/zinc/86/44/66/207864466.db2.gz NWANUSNDOWJOKT-CYBMUJFWSA-N 0 0 338.408 1.659 10 0 EDAERN COCCNC(=O)[C@H](C)Oc1c(C)cc(Br)cc1CO ZINC000166981672 533011967 /nfs/dbraw/zinc/01/19/67/533011967.db2.gz UXISEKOTIVKWKT-JTQLQIEISA-N 0 0 346.221 1.780 10 0 EDAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000181041396 207873370 /nfs/dbraw/zinc/87/33/70/207873370.db2.gz FPTZRYYNGOPXBL-VXGBXAGGSA-N 0 0 343.387 1.078 10 0 EDAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H](C)C2 ZINC000181259460 207908136 /nfs/dbraw/zinc/90/81/36/207908136.db2.gz FTIRWERZKORBEZ-BLLLJJGKSA-N 0 0 344.415 1.469 10 0 EDAERN O=C1N[C@@H](c2ccc(Cl)cc2Br)N2CCOC[C@@H]12 ZINC000093884940 296388674 /nfs/dbraw/zinc/38/86/74/296388674.db2.gz PBRGEUNMNXFNBL-WDEREUQCSA-N 0 0 331.597 1.932 10 0 EDAERN CCO[C@@H]1CCN(C(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)C[C@H]1C ZINC000263488979 139344846 /nfs/dbraw/zinc/34/48/46/139344846.db2.gz QKXQIEATRDNSMJ-XSCHDIRWSA-N 0 0 341.452 1.380 10 0 EDAERN COC(=O)C1(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000187938943 533209830 /nfs/dbraw/zinc/20/98/30/533209830.db2.gz FOMLHZSKVJXRSF-ZFWWWQNUSA-N 0 0 348.374 1.415 10 0 EDAERN COCCN1CCN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]1C ZINC000117287591 221045272 /nfs/dbraw/zinc/04/52/72/221045272.db2.gz DOIAWAAHBLOLNN-CQSZACIVSA-N 0 0 327.469 1.108 10 0 EDAERN COCCN1CCN(C(=O)C[C@@H](C)NC(=O)C2CCCC2)C[C@@H]1C ZINC000117296679 221048316 /nfs/dbraw/zinc/04/83/16/221048316.db2.gz CNTYCZYEVZZKOG-CABCVRRESA-N 0 0 339.480 1.251 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nn[nH]n1)c1cccs1 ZINC000118685755 221169981 /nfs/dbraw/zinc/16/99/81/221169981.db2.gz LVNDSFJWBTUFLH-NSHDSACASA-N 0 0 342.384 1.241 10 0 EDAERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000119260276 221278538 /nfs/dbraw/zinc/27/85/38/221278538.db2.gz GICJPSYNUFZZIO-VXGBXAGGSA-N 0 0 337.424 1.706 10 0 EDAERN Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000252014347 257660310 /nfs/dbraw/zinc/66/03/10/257660310.db2.gz USTKWPPVECMARB-KSSFIOAISA-N 0 0 347.415 1.678 10 0 EDAERN Cn1cccc1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2O1 ZINC000248117638 257664782 /nfs/dbraw/zinc/66/47/82/257664782.db2.gz IZUDEIZGNOVNKJ-HEHGZKQESA-N 0 0 343.383 1.278 10 0 EDAERN Cc1nnc(N2C[C@@H]3OC[C@H](CC(=O)N4CCCCO4)[C@@H]3C2)s1 ZINC000248050122 257666237 /nfs/dbraw/zinc/66/62/37/257666237.db2.gz WWAMKAFKONMVQS-AVGNSLFASA-N 0 0 338.433 1.242 10 0 EDAERN COC(=O)C1CCN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000161566767 533287801 /nfs/dbraw/zinc/28/78/01/533287801.db2.gz IOLXZSFPEROYLS-CYBMUJFWSA-N 0 0 349.435 1.311 10 0 EDAERN O=C([C@@H]1CC(=O)C[C@@H]1C(=O)N1CCCCCO1)N1CCCCCO1 ZINC000329914048 304293985 /nfs/dbraw/zinc/29/39/85/304293985.db2.gz CGUWOXMKCBRKPT-GASCZTMLSA-N 0 0 338.404 1.470 10 0 EDAERN Cc1cccn([C@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1=O ZINC000071516894 132814609 /nfs/dbraw/zinc/81/46/09/132814609.db2.gz JNLGHHSEUGWHNU-GFCCVEGCSA-N 0 0 326.352 1.956 10 0 EDAERN O=C(c1cccc2c1OCC(=O)N2)N1CCO[C@H](Cn2cccn2)C1 ZINC000329373739 140714009 /nfs/dbraw/zinc/71/40/09/140714009.db2.gz NCLDRNFRLNDAAT-LBPRGKRZSA-N 0 0 342.355 1.405 10 0 EDAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329766509 140762143 /nfs/dbraw/zinc/76/21/43/140762143.db2.gz YGGYVJIOKMYLDA-WNHJNPCNSA-N 0 0 342.439 1.752 10 0 EDAERN O=S(=O)(c1cccnc1)N1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000329916222 140781220 /nfs/dbraw/zinc/78/12/20/140781220.db2.gz DOLIDAXVUROZIR-QZTJIDSGSA-N 0 0 343.452 1.944 10 0 EDAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCO[C@H](c2ncon2)C1 ZINC000329968813 140788805 /nfs/dbraw/zinc/78/88/05/140788805.db2.gz UCJRCOJROKZHQY-KBPBESRZSA-N 0 0 348.403 1.151 10 0 EDAERN Cn1nnc2cc(C(=O)NC[C@H]3Cc4ccccc4N(C)C3)cnc21 ZINC000333018138 141250684 /nfs/dbraw/zinc/25/06/84/141250684.db2.gz CSVSTACFFAKFDN-GFCCVEGCSA-N 0 0 336.399 1.402 10 0 EDAERN O=C(N1CC(O)(C2CC2)C1)C1(OCc2ccccc2)CCOCC1 ZINC000333195048 141279100 /nfs/dbraw/zinc/27/91/00/141279100.db2.gz WXDMWCFOODGRCX-UHFFFAOYSA-N 0 0 331.412 1.736 10 0 EDAERN Cc1cccc2nc(CN3C[C@H](C)OC4(CCOCC4)C3)cc(=O)n12 ZINC000333349865 141303645 /nfs/dbraw/zinc/30/36/45/141303645.db2.gz VNZXEUODRCQMQK-HNNXBMFYSA-N 0 0 343.427 1.773 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](O)CC12CCC2 ZINC000333543256 141334387 /nfs/dbraw/zinc/33/43/87/141334387.db2.gz IGPKSYFSAVCPBP-ZIAGYGMSSA-N 0 0 344.477 1.097 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H](COC)C2CC2)C12CCOCC2 ZINC000248713484 286368515 /nfs/dbraw/zinc/36/85/15/286368515.db2.gz NFDGYQNJRANJMA-QLFBSQMISA-N 0 0 326.437 1.685 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)Nc2nnc(C)s2)C12CCOCC2 ZINC000185934961 286369927 /nfs/dbraw/zinc/36/99/27/286369927.db2.gz AKAQWSFRINFPRQ-WDEREUQCSA-N 0 0 326.422 1.942 10 0 EDAERN COCCC1(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCCC1 ZINC000120450782 292305032 /nfs/dbraw/zinc/30/50/32/292305032.db2.gz VANIYWLCIALQCC-MRXNPFEDSA-N 0 0 347.459 1.979 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C12CCOCC2 ZINC000187121893 286486208 /nfs/dbraw/zinc/48/62/08/286486208.db2.gz UNGKTXUYYJAQGM-CABCVRRESA-N 0 0 345.399 1.560 10 0 EDAERN C[C@H](CC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)N1CCCCC1=O ZINC000328736020 161605290 /nfs/dbraw/zinc/60/52/90/161605290.db2.gz JIYGAWYFRHWHFW-KDOFPFPSSA-N 0 0 338.448 1.574 10 0 EDAERN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1nnc2n1CCCC2 ZINC000173627659 287067393 /nfs/dbraw/zinc/06/73/93/287067393.db2.gz XUPAPAXNAZFWKM-OCCSQVGLSA-N 0 0 343.435 1.194 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081442996 287313003 /nfs/dbraw/zinc/31/30/03/287313003.db2.gz YBAJTRBHBXCUJI-IINYFYTJSA-N 0 0 345.321 1.722 10 0 EDAERN C[C@H]1CN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC[C@@H]1O ZINC000166387706 226156834 /nfs/dbraw/zinc/15/68/34/226156834.db2.gz KATFOWDDOCUGBP-MADCSZMMSA-N 0 0 339.189 1.791 10 0 EDAERN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCOC[C@H]1CO ZINC000168543459 226216446 /nfs/dbraw/zinc/21/64/46/226216446.db2.gz WDLVVEOURJXERB-CMPLNLGQSA-N 0 0 344.205 1.436 10 0 EDAERN C[C@@H]1CC(=O)N[C@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168911995 226227584 /nfs/dbraw/zinc/22/75/84/226227584.db2.gz MMIPJPMVSWIIMU-RKDXNWHRSA-N 0 0 326.194 1.470 10 0 EDAERN C[C@@H](NC(=O)NCCCO)[C@H](OC1CCOCC1)c1ccccc1 ZINC000125956508 287413687 /nfs/dbraw/zinc/41/36/87/287413687.db2.gz FFWZJGQPZOLIMC-PBHICJAKSA-N 0 0 336.432 1.993 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000121270528 221803407 /nfs/dbraw/zinc/80/34/07/221803407.db2.gz GCJQQLKXXPPEDH-NSHDSACASA-N 0 0 325.315 1.030 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCCNC(=O)C(C)C)C2)c1 ZINC000121927271 221975769 /nfs/dbraw/zinc/97/57/69/221975769.db2.gz BPCSAQJNRICKHT-OAHLLOKOSA-N 0 0 335.452 1.700 10 0 EDAERN C[C@H]1CN(C(=O)NCCCC(C)(C)CO)C[C@@H]1N1CCOCC1 ZINC000122705564 222141544 /nfs/dbraw/zinc/14/15/44/222141544.db2.gz SLQXTNPCBVKYNR-GJZGRUSLSA-N 0 0 327.469 1.147 10 0 EDAERN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[C@H](N2CCOCC2)C1 ZINC000123356333 222261761 /nfs/dbraw/zinc/26/17/61/222261761.db2.gz PEPUNNVEFKNDMU-KANFNMMFSA-N 0 0 341.455 1.688 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ncc(C)s2)C1 ZINC000123615350 222307484 /nfs/dbraw/zinc/30/74/84/222307484.db2.gz JHCWJRODLYZYJI-NSHDSACASA-N 0 0 338.433 1.297 10 0 EDAERN C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 ZINC000189440065 272964852 /nfs/dbraw/zinc/96/48/52/272964852.db2.gz KTWDMTNYFDAULP-VIFPVBQESA-N 0 0 347.387 1.216 10 0 EDAERN CN1CCO[C@H](CNC(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000194608801 273004112 /nfs/dbraw/zinc/00/41/12/273004112.db2.gz HMOFEPZGSBZZJH-CYBMUJFWSA-N 0 0 332.322 1.531 10 0 EDAERN COc1ccc(F)cc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000189371347 267774700 /nfs/dbraw/zinc/77/47/00/267774700.db2.gz VBPRPBCHEGADPV-OAHLLOKOSA-N 0 0 345.374 1.730 10 0 EDAERN O=S(=O)(c1cccc2cccnc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173998737 272935040 /nfs/dbraw/zinc/93/50/40/272935040.db2.gz DUURERPXQHIOMS-HNNXBMFYSA-N 0 0 347.440 1.330 10 0 EDAERN COc1cc2nc(N3CCc4nc[nH]c4C3)nc(N)c2cc1OC ZINC000095382249 274103587 /nfs/dbraw/zinc/10/35/87/274103587.db2.gz TVMRRDRJABHERH-UHFFFAOYSA-N 0 0 326.360 1.515 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)C(C)C ZINC000246152548 287729287 /nfs/dbraw/zinc/72/92/87/287729287.db2.gz FBPFTLOGSGFPHP-HEHGZKQESA-N 0 0 348.447 1.196 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000249212502 287793419 /nfs/dbraw/zinc/79/34/19/287793419.db2.gz SPINGRDTBLXKLI-MCIONIFRSA-N 0 0 332.466 1.074 10 0 EDAERN O=S(=O)(c1cccc2nsnc21)N1CCN2CCCC[C@@H]2C1 ZINC000045815969 275031798 /nfs/dbraw/zinc/03/17/98/275031798.db2.gz FGBNWJQWIFJBMC-LLVKDONJSA-N 0 0 338.458 1.550 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)/C=C\c2cncc(O)c2)CC1 ZINC000255277459 287834385 /nfs/dbraw/zinc/83/43/85/287834385.db2.gz ZYHHCUTTWFKVSA-PLNGDYQASA-N 0 0 339.399 1.718 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(F)cc3nc[nH]c32)C[C@H]1C ZINC000117283495 276321460 /nfs/dbraw/zinc/32/14/60/276321460.db2.gz OBMDVSMSYUPDMU-GFCCVEGCSA-N 0 0 334.395 1.885 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000247405523 276643492 /nfs/dbraw/zinc/64/34/92/276643492.db2.gz MWRAJZXUNFQAII-DZKIICNBSA-N 0 0 338.398 1.983 10 0 EDAERN CC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000249739267 277046575 /nfs/dbraw/zinc/04/65/75/277046575.db2.gz XDYFNCIKFVIVTE-GRDNDAEWSA-N 0 0 329.444 1.953 10 0 EDAERN CN1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCCN32)CC1 ZINC000021646785 277098417 /nfs/dbraw/zinc/09/84/17/277098417.db2.gz SLWCPUCRCRFLBZ-INIZCTEOSA-N 0 0 328.416 1.385 10 0 EDAERN CC1=C(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)[C@H](C)n2ncnc2N1C ZINC000195296177 278479129 /nfs/dbraw/zinc/47/91/29/278479129.db2.gz ZVFXXJLBGVFYMK-RYUDHWBXSA-N 0 0 349.435 1.752 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000182935602 278624790 /nfs/dbraw/zinc/62/47/90/278624790.db2.gz NLVUVCUXDKAEJT-CYBMUJFWSA-N 0 0 341.367 1.272 10 0 EDAERN CC1(C)CCc2ccccc2[C@@H]1NS(=O)(=O)CCS(C)(=O)=O ZINC000161799947 281141871 /nfs/dbraw/zinc/14/18/71/281141871.db2.gz BSJHHJCUZCGKJZ-AWEZNQCLSA-N 0 0 345.486 1.664 10 0 EDAERN CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CC(=O)[O-])CC1 ZINC000071974100 281858133 /nfs/dbraw/zinc/85/81/33/281858133.db2.gz LLUGDGQUBOCMAB-UHFFFAOYSA-N 0 0 348.399 1.522 10 0 EDAERN NC(=O)CN1CCC(C(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000091547151 295045577 /nfs/dbraw/zinc/04/55/77/295045577.db2.gz PWKFGKBKZZEKCZ-HNNXBMFYSA-N 0 0 333.432 1.921 10 0 EDAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000171236290 302943121 /nfs/dbraw/zinc/94/31/21/302943121.db2.gz SHRZNOHOYPTBRW-HUUCEWRRSA-N 0 0 348.447 1.808 10 0 EDAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC(=O)N1C ZINC000330301300 303091910 /nfs/dbraw/zinc/09/19/10/303091910.db2.gz NREFSBPKGFKBIB-YOKBYHGQSA-N 0 0 346.431 1.110 10 0 EDAERN O=C(CSc1nnc2ncccn21)N1CC(=O)Nc2ccccc21 ZINC000001365407 440843042 /nfs/dbraw/zinc/84/30/42/440843042.db2.gz UFWYNFKLYQCCOK-UHFFFAOYSA-N 0 0 340.368 1.202 10 0 EDAERN COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)C)c1 ZINC000044744728 440883400 /nfs/dbraw/zinc/88/34/00/440883400.db2.gz RBNMNLGJCHNXNV-GFCCVEGCSA-N 0 0 328.434 1.386 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCC(=O)NC1CC1)C(C)C ZINC000006989942 441029638 /nfs/dbraw/zinc/02/96/38/441029638.db2.gz LLLYHZVWLBLSRG-INIZCTEOSA-N 0 0 331.416 1.144 10 0 EDAERN C[C@H](CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)N1CCOCC1 ZINC000080544439 441177910 /nfs/dbraw/zinc/17/79/10/441177910.db2.gz KUYBOYYHNVJXNW-QAPCUYQASA-N 0 0 349.450 1.627 10 0 EDAERN COC[C@@H](C)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000103386364 441179889 /nfs/dbraw/zinc/17/98/89/441179889.db2.gz ZXIVWNPVRKEMHH-CJNGLKHVSA-N 0 0 334.416 1.494 10 0 EDAERN CC(=O)c1ccccc1OCCN1CCC(NS(C)(=O)=O)CC1 ZINC000012934744 441148730 /nfs/dbraw/zinc/14/87/30/441148730.db2.gz BGELIFQKWLHEDN-UHFFFAOYSA-N 0 0 340.445 1.282 10 0 EDAERN CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000015069709 441195391 /nfs/dbraw/zinc/19/53/91/441195391.db2.gz WDLDGFQWXPTWNR-KRWDZBQOSA-N 0 0 335.452 1.001 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000104797677 441210313 /nfs/dbraw/zinc/21/03/13/441210313.db2.gz KNKGZNXFFQMUPU-IAGOWNOFSA-N 0 0 335.423 1.873 10 0 EDAERN CCOCCN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000105834540 441286999 /nfs/dbraw/zinc/28/69/99/441286999.db2.gz KUZAVJUYFKQSPQ-YESZJQIVSA-N 0 0 325.497 1.724 10 0 EDAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)C1 ZINC000105869324 441301168 /nfs/dbraw/zinc/30/11/68/441301168.db2.gz GZKIKTZOQDUSOT-IAGOWNOFSA-N 0 0 347.507 1.432 10 0 EDAERN C[C@H](NC(=O)c1cc(Br)cnc1Cl)C(=O)N(C)C ZINC000050045029 441371345 /nfs/dbraw/zinc/37/13/45/441371345.db2.gz SXKVMZHVGAOMRA-LURJTMIESA-N 0 0 334.601 1.704 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@](C)(O)c1cccs1 ZINC000083739983 441374465 /nfs/dbraw/zinc/37/44/65/441374465.db2.gz WCMXEFMETKYPDC-IAQYHMDHSA-N 0 0 335.433 1.690 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000083755064 441375118 /nfs/dbraw/zinc/37/51/18/441375118.db2.gz VVNWEGJGIIDHFB-HNNXBMFYSA-N 0 0 339.399 1.665 10 0 EDAERN COCC(=O)N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1 ZINC000065209611 441407138 /nfs/dbraw/zinc/40/71/38/441407138.db2.gz DIVFFZPAFVPDNJ-HNNXBMFYSA-N 0 0 330.388 1.912 10 0 EDAERN CCN(C[C@H](O)COCc1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000084963677 441427901 /nfs/dbraw/zinc/42/79/01/441427901.db2.gz BCZGLKCJLGKSKW-ZBFHGGJFSA-N 0 0 329.462 1.319 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)c1cc2c(cc1Cl)OCCO2 ZINC000108139662 441437429 /nfs/dbraw/zinc/43/74/29/441437429.db2.gz GCKKMTWFXPBTFI-JOCHJYFZSA-N 0 0 342.808 1.986 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCOc2ccccc2C(C)(C)C)C1 ZINC000108885761 441479317 /nfs/dbraw/zinc/47/93/17/441479317.db2.gz MGONHWZSIQHZAQ-OAHLLOKOSA-N 0 0 349.475 1.993 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNc1ccccc1OC ZINC000088280851 441502642 /nfs/dbraw/zinc/50/26/42/441502642.db2.gz WZSBNDFEWHIIOD-ZDUSSCGKSA-N 0 0 329.404 1.912 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)cc1F ZINC000088327655 441503585 /nfs/dbraw/zinc/50/35/85/441503585.db2.gz YARMUOKETBWKDC-SECBINFHSA-N 0 0 326.349 1.866 10 0 EDAERN Cc1ccc(Br)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000088452388 441508505 /nfs/dbraw/zinc/50/85/05/441508505.db2.gz GUILGCNUTVYWII-GFCCVEGCSA-N 0 0 327.222 1.818 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000089507397 441556839 /nfs/dbraw/zinc/55/68/39/441556839.db2.gz OEPFJILADPLFDN-VHSXEESVSA-N 0 0 341.433 1.746 10 0 EDAERN O=C(NCCCCOCc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112747054 441557885 /nfs/dbraw/zinc/55/78/85/441557885.db2.gz QNRQTISWMFNCAN-MRXNPFEDSA-N 0 0 343.431 1.889 10 0 EDAERN COc1ccccc1NCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000112911960 441566700 /nfs/dbraw/zinc/56/67/00/441566700.db2.gz YYLIRRYFBORYGX-AWEZNQCLSA-N 0 0 330.388 1.231 10 0 EDAERN COc1c(C)cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1C ZINC000113298534 441599945 /nfs/dbraw/zinc/59/99/45/441599945.db2.gz GQDXXSCQDNALQV-LBPRGKRZSA-N 0 0 336.417 1.197 10 0 EDAERN C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)[C@@H]1CCCO1 ZINC000067624052 441659004 /nfs/dbraw/zinc/65/90/04/441659004.db2.gz SDTCUBSGUHACQR-BPUTZDHNSA-N 0 0 333.432 1.553 10 0 EDAERN O=C(CN1CCCC[C@H]1c1cn[nH]c1)N1CCN(C(=O)C2CC2)CC1 ZINC000114482054 441663031 /nfs/dbraw/zinc/66/30/31/441663031.db2.gz UIMFUHJPGQGYKL-INIZCTEOSA-N 0 0 345.447 1.018 10 0 EDAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000115382556 441733638 /nfs/dbraw/zinc/73/36/38/441733638.db2.gz CYFDIHZBUPUXHE-NSHDSACASA-N 0 0 343.416 1.188 10 0 EDAERN Cc1nc2ccsc2c(N2CCN(CCn3cncn3)CC2)n1 ZINC000091745222 441734498 /nfs/dbraw/zinc/73/44/98/441734498.db2.gz WFROWJCTMWDIAX-UHFFFAOYSA-N 0 0 329.433 1.413 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(Cc2ccccc2)n1 ZINC000091783887 441742306 /nfs/dbraw/zinc/74/23/06/441742306.db2.gz CVWCTMTYJIRLED-CYBMUJFWSA-N 0 0 331.397 1.060 10 0 EDAERN Cc1ccc([C@H]2CCCCN2C(=O)NCCN2C(=O)CCC2=O)o1 ZINC000173495741 441769180 /nfs/dbraw/zinc/76/91/80/441769180.db2.gz URCQPEOTYVRDTC-CYBMUJFWSA-N 0 0 333.388 1.974 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2scnc2C)ncn1 ZINC000173426369 441745830 /nfs/dbraw/zinc/74/58/30/441745830.db2.gz MJMUGQWKRXTZLA-LLVKDONJSA-N 0 0 332.433 1.682 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2ccco2)CC1 ZINC000115633865 441765772 /nfs/dbraw/zinc/76/57/72/441765772.db2.gz DDNLHFMFCZPHMB-UHFFFAOYSA-N 0 0 331.420 1.657 10 0 EDAERN COc1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1F ZINC000116370718 441815546 /nfs/dbraw/zinc/81/55/46/441815546.db2.gz FHBGPACOSIKFHK-LLVKDONJSA-N 0 0 339.392 1.746 10 0 EDAERN CCN(C(=O)CN1CCO[C@@H](c2nnc(C)[nH]2)C1)C1CCCCC1 ZINC000173663008 441817349 /nfs/dbraw/zinc/81/73/49/441817349.db2.gz NKMFFENHBQOAAT-OAHLLOKOSA-N 0 0 335.452 1.668 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)N(C)C3CCC(C)CC3)CCO2)[nH]1 ZINC000173660579 441817446 /nfs/dbraw/zinc/81/74/46/441817446.db2.gz RFHHMIQYKQLFRW-ZALBZXLWSA-N 0 0 335.452 1.524 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCC(C)(C)N3CCOCC3)C2)cn1 ZINC000116412961 441818594 /nfs/dbraw/zinc/81/85/94/441818594.db2.gz IDDINVLNRQQQBK-AWEZNQCLSA-N 0 0 335.452 1.030 10 0 EDAERN CS(=O)(=O)CCOCCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000173539135 441783325 /nfs/dbraw/zinc/78/33/25/441783325.db2.gz AGWISEAFTKXZIV-OAHLLOKOSA-N 0 0 340.445 1.424 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)[nH]1 ZINC000173542285 441784946 /nfs/dbraw/zinc/78/49/46/441784946.db2.gz SXIWWRNTSMUVFA-CQSZACIVSA-N 0 0 327.344 1.397 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)[C@H](C)c3c(C)noc3C)CCO2)[nH]1 ZINC000173568654 441794066 /nfs/dbraw/zinc/79/40/66/441794066.db2.gz KAENDJRVHFJJME-SKDRFNHKSA-N 0 0 333.392 1.676 10 0 EDAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@H](c3cnn(C)c3)C1)C2 ZINC000116122114 441794940 /nfs/dbraw/zinc/79/49/40/441794940.db2.gz JBCDLWKBQWFTLY-GJZGRUSLSA-N 0 0 341.411 1.996 10 0 EDAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@@H](c3cnn(C)c3)C1)C2 ZINC000116122112 441795057 /nfs/dbraw/zinc/79/50/57/441795057.db2.gz JBCDLWKBQWFTLY-CABCVRRESA-N 0 0 341.411 1.996 10 0 EDAERN O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173574248 441795256 /nfs/dbraw/zinc/79/52/56/441795256.db2.gz GDAHRHKVSCJFNX-BZUAXINKSA-N 0 0 328.412 1.868 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)[C@H](C)Oc3cccc(F)c3)CCO2)[nH]1 ZINC000173581511 441798374 /nfs/dbraw/zinc/79/83/74/441798374.db2.gz OFPMSBAVHCFEAA-FZMZJTMJSA-N 0 0 348.378 1.874 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4c(cccc4F)[nH]3)CCO2)[nH]1 ZINC000173606741 441803193 /nfs/dbraw/zinc/80/31/93/441803193.db2.gz GAKRDJZZNQBARI-AWEZNQCLSA-N 0 0 329.335 1.947 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCCCc3c[nH]nn3)C2)n1 ZINC000139355417 441813459 /nfs/dbraw/zinc/81/34/59/441813459.db2.gz IKUJHERQJLERKG-HNNXBMFYSA-N 0 0 345.451 1.665 10 0 EDAERN CO[C@H]1CC[C@H](COc2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC000116884492 441857198 /nfs/dbraw/zinc/85/71/98/441857198.db2.gz SJXYLAJWCICXGQ-AOOOYVTPSA-N 0 0 334.825 1.966 10 0 EDAERN COc1c(CN2CCN(c3cc(OC)ccn3)CC2)c(C)nn1C ZINC000093079151 441857639 /nfs/dbraw/zinc/85/76/39/441857639.db2.gz XPBWMKJLUIWXJT-UHFFFAOYSA-N 0 0 331.420 1.463 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1COc2ccccc21 ZINC000093122563 441858368 /nfs/dbraw/zinc/85/83/68/441858368.db2.gz WNLXWXFTAKZDET-AWEZNQCLSA-N 0 0 330.388 1.924 10 0 EDAERN Cc1cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1C(N)=O ZINC000173901707 441859278 /nfs/dbraw/zinc/85/92/78/441859278.db2.gz FIEFPZHAJADKFB-CQSZACIVSA-N 0 0 332.404 1.032 10 0 EDAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000093149500 441860589 /nfs/dbraw/zinc/86/05/89/441860589.db2.gz MKRVYCHGOXIBNN-CYBMUJFWSA-N 0 0 347.423 1.225 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NCc1ccc(Cl)cc1 ZINC000173990932 441874667 /nfs/dbraw/zinc/87/46/67/441874667.db2.gz HMTDLKNZORDYIA-INIZCTEOSA-N 0 0 337.851 1.363 10 0 EDAERN C[C@H](C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)N1CCN(C)CC1 ZINC000173947218 441866720 /nfs/dbraw/zinc/86/67/20/441866720.db2.gz XXPWKUMMPBAZDZ-JKSUJKDBSA-N 0 0 341.459 1.685 10 0 EDAERN C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)c1cccc(-n2ccnc2)c1 ZINC000173947237 441866972 /nfs/dbraw/zinc/86/69/72/441866972.db2.gz XXPWKUMMPBAZDZ-HOTGVXAUSA-N 0 0 341.459 1.685 10 0 EDAERN COC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)c1ccccc1 ZINC000122117595 441835357 /nfs/dbraw/zinc/83/53/57/441835357.db2.gz ZSRCOOFEATYAAZ-BXUZGUMPSA-N 0 0 330.340 1.428 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCc3ccsc3)CC2)no1 ZINC000173789674 441840156 /nfs/dbraw/zinc/84/01/56/441840156.db2.gz KRRKTSAYCHSEHA-UHFFFAOYSA-N 0 0 335.433 1.857 10 0 EDAERN O=C(NCCc1ccccc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000173795846 441841795 /nfs/dbraw/zinc/84/17/95/441841795.db2.gz QAYDOSMWRZLHGS-OAHLLOKOSA-N 0 0 337.851 1.999 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@H]1CC ZINC000116772352 441842214 /nfs/dbraw/zinc/84/22/14/441842214.db2.gz HWBOPGKERSQHKW-QGZVFWFLSA-N 0 0 347.459 1.893 10 0 EDAERN COCc1ccccc1CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173812348 441844314 /nfs/dbraw/zinc/84/43/14/441844314.db2.gz XVPXCWSTZABHID-MRXNPFEDSA-N 0 0 329.404 1.971 10 0 EDAERN COCCOc1ccccc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000122289390 441844716 /nfs/dbraw/zinc/84/47/16/441844716.db2.gz MJNNNRYAGMNEQD-KRWDZBQOSA-N 0 0 331.416 1.809 10 0 EDAERN CN(C)c1ncccc1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173839833 441848657 /nfs/dbraw/zinc/84/86/57/441848657.db2.gz LFPQPVUYYVKLEQ-AWEZNQCLSA-N 0 0 329.408 1.286 10 0 EDAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000173853663 441850456 /nfs/dbraw/zinc/85/04/56/441850456.db2.gz FMTSQUXPFYGIRR-UHFFFAOYSA-N 0 0 330.363 1.571 10 0 EDAERN CCS(=O)(=O)NCCN1C[C@H](c2ccccc2)OCC1(C)C ZINC000068823172 441856487 /nfs/dbraw/zinc/85/64/87/441856487.db2.gz QMXIKSPRKXGIFW-OAHLLOKOSA-N 0 0 326.462 1.778 10 0 EDAERN O=C1CCCN1C[C@@H](O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000174247504 441906447 /nfs/dbraw/zinc/90/64/47/441906447.db2.gz FAUOGDDNWZBZSD-ZDUSSCGKSA-N 0 0 334.420 1.289 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CCC(c3ccnn3C)CC2)CCCC1 ZINC000124411042 441925012 /nfs/dbraw/zinc/92/50/12/441925012.db2.gz VITOGRKMGXPSGB-UHFFFAOYSA-N 0 0 347.463 1.758 10 0 EDAERN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C(C)C ZINC000117705540 441876391 /nfs/dbraw/zinc/87/63/91/441876391.db2.gz USNIBAPBWIPBMV-RYUDHWBXSA-N 0 0 328.409 1.700 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000117818749 441880276 /nfs/dbraw/zinc/88/02/76/441880276.db2.gz JEHQKJWUYDLJQX-UHFFFAOYSA-N 0 0 336.417 1.301 10 0 EDAERN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCn2cc(C)cn2)C1 ZINC000118077768 441885773 /nfs/dbraw/zinc/88/57/73/441885773.db2.gz WYDWUPGHWJUXQO-HZPDHXFCSA-N 0 0 349.479 1.918 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123387345 441885768 /nfs/dbraw/zinc/88/57/68/441885768.db2.gz BVUZSOQMCQRAFO-ACJLOTCBSA-N 0 0 332.400 1.787 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123387774 441886310 /nfs/dbraw/zinc/88/63/10/441886310.db2.gz BVUZSOQMCQRAFO-UGSOOPFHSA-N 0 0 332.400 1.787 10 0 EDAERN CCOc1cc(C)ccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000077938399 441888224 /nfs/dbraw/zinc/88/82/24/441888224.db2.gz SKQOBYQCLAKNQF-UKRRQHHQSA-N 0 0 334.416 2.000 10 0 EDAERN COC(=O)NCC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000123549730 441892222 /nfs/dbraw/zinc/89/22/22/441892222.db2.gz DSFPXKRMHVTMIS-NEPJUHHUSA-N 0 0 346.305 1.696 10 0 EDAERN Cn1cc([C@@H](O)CNc2cnn(-c3ccccc3)c(=O)c2Cl)cn1 ZINC000078375351 441925869 /nfs/dbraw/zinc/92/58/69/441925869.db2.gz JNNIZGRJUPSHTP-AWEZNQCLSA-N 0 0 345.790 1.765 10 0 EDAERN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093884995 441898295 /nfs/dbraw/zinc/89/82/95/441898295.db2.gz HXQBGKYPJHOZEH-DOMZBBRYSA-N 0 0 332.791 1.663 10 0 EDAERN O=C1N[C@H](c2ccc(OCc3ccncc3)cc2)N2CCOC[C@H]12 ZINC000093883057 441898653 /nfs/dbraw/zinc/89/86/53/441898653.db2.gz SMWQDNAGSMZKAT-SJORKVTESA-N 0 0 325.368 1.490 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc2ccccc2c(=O)[nH]1 ZINC000118669029 441899982 /nfs/dbraw/zinc/89/99/82/441899982.db2.gz ZHWCVWCVBPQAPZ-CQSZACIVSA-N 0 0 349.394 1.717 10 0 EDAERN Cc1nc(SCC(=O)N2CCc3c(nc(C(C)C)n3C)C2)n[nH]1 ZINC000174817129 441971914 /nfs/dbraw/zinc/97/19/14/441971914.db2.gz YHBVAEUKMPJDSA-UHFFFAOYSA-N 0 0 334.449 1.647 10 0 EDAERN COC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1)C(C)C ZINC000150711803 441934380 /nfs/dbraw/zinc/93/43/80/441934380.db2.gz ZPXMXAGLUIQZRX-DGCLKSJQSA-N 0 0 337.424 1.213 10 0 EDAERN CC[C@H]1CN(Cc2ccc(C(=O)OC)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000151054058 441996578 /nfs/dbraw/zinc/99/65/78/441996578.db2.gz FSJVMDFFCGCGMZ-HIFRSBDPSA-N 0 0 338.423 1.889 10 0 EDAERN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](C)COC)c1 ZINC000125212678 441997460 /nfs/dbraw/zinc/99/74/60/441997460.db2.gz CLZVMEJWCQGWGS-VXGBXAGGSA-N 0 0 328.434 1.984 10 0 EDAERN CN1CCOc2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc21 ZINC000175097952 442003070 /nfs/dbraw/zinc/00/30/70/442003070.db2.gz BRBYWYIKGADICZ-HNNXBMFYSA-N 0 0 346.431 1.454 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCc3cccs3)CCO2)[nH]1 ZINC000151106473 442006689 /nfs/dbraw/zinc/00/66/89/442006689.db2.gz KSAOZLBHKRFDKX-LBPRGKRZSA-N 0 0 335.433 1.754 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCCc3ccccc3)CCO2)[nH]1 ZINC000175292558 442034515 /nfs/dbraw/zinc/03/45/15/442034515.db2.gz DEIKFQQOJGCFTF-OAHLLOKOSA-N 0 0 329.404 1.829 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1nc(C)c(Cl)c1C ZINC000151271367 442035314 /nfs/dbraw/zinc/03/53/14/442035314.db2.gz AQVDEXJCBLHJDD-NSHDSACASA-N 0 0 336.827 1.959 10 0 EDAERN Cc1cc(C)n(CCCNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000175616256 442093653 /nfs/dbraw/zinc/09/36/53/442093653.db2.gz PEWINQQBWPKBOW-YOEHRIQHSA-N 0 0 349.479 1.252 10 0 EDAERN CCn1ncc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CCCO3)cc21 ZINC000120376622 442059963 /nfs/dbraw/zinc/05/99/63/442059963.db2.gz IDLJEPBRVOCGAM-ABAIWWIYSA-N 0 0 330.388 1.678 10 0 EDAERN COc1ccc(C(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151449832 442064643 /nfs/dbraw/zinc/06/46/43/442064643.db2.gz CQZCBSKGGCJAMB-DNVCBOLYSA-N 0 0 346.427 1.579 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCCC1 ZINC000120442996 442072557 /nfs/dbraw/zinc/07/25/57/442072557.db2.gz HNUJYUPEGPCBEX-KDOFPFPSSA-N 0 0 337.464 1.772 10 0 EDAERN C[C@H]1CN(C(=O)NCCc2ccccc2F)C[C@@H]1N1CCOCC1 ZINC000175628084 442095494 /nfs/dbraw/zinc/09/54/94/442095494.db2.gz OCIJUGRHSGZCMO-YOEHRIQHSA-N 0 0 335.423 1.730 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](COC)c1ccc(C)o1)CC2 ZINC000175517809 442079510 /nfs/dbraw/zinc/07/95/10/442079510.db2.gz MOBRJONSIZEWBS-QWHCGFSZSA-N 0 0 347.419 1.744 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000175547898 442082679 /nfs/dbraw/zinc/08/26/79/442082679.db2.gz OIHJKEDODJRJDG-MRXNPFEDSA-N 0 0 349.479 1.476 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(O)c(F)c3)CCO2)[nH]1 ZINC000175566967 442087114 /nfs/dbraw/zinc/08/71/14/442087114.db2.gz XQUIICJVGJSIOE-ZDUSSCGKSA-N 0 0 335.339 1.241 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCC(=O)N1CCCCCC1 ZINC000175734249 442113652 /nfs/dbraw/zinc/11/36/52/442113652.db2.gz KLSBCMIKOIAGSS-AWEZNQCLSA-N 0 0 348.451 1.513 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2cccs2)CC1 ZINC000151739442 442114586 /nfs/dbraw/zinc/11/45/86/442114586.db2.gz PVOOJWBTGPITDM-GFCCVEGCSA-N 0 0 332.433 1.186 10 0 EDAERN COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000151772590 442118847 /nfs/dbraw/zinc/11/88/47/442118847.db2.gz WHTXSYXDJVQKRJ-OCCSQVGLSA-N 0 0 328.434 1.018 10 0 EDAERN COCCN(Cc1ccc(C)o1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000151830593 442126958 /nfs/dbraw/zinc/12/69/58/442126958.db2.gz LYDVESRMDSFSBJ-ZDUSSCGKSA-N 0 0 333.392 1.353 10 0 EDAERN O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CCCn2ncnc21 ZINC000175822835 442129738 /nfs/dbraw/zinc/12/97/38/442129738.db2.gz RBUZPIDITWLWAE-AWEZNQCLSA-N 0 0 348.451 1.641 10 0 EDAERN CC(C)OC(=O)CCCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000126694116 442134801 /nfs/dbraw/zinc/13/48/01/442134801.db2.gz QMEIQQQRGFNFEF-GFCCVEGCSA-N 0 0 337.424 1.706 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000163175768 442148190 /nfs/dbraw/zinc/14/81/90/442148190.db2.gz QNNCYYFXDPOLSF-CQSZACIVSA-N 0 0 343.435 1.776 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)c1cccs1 ZINC000175678172 442104540 /nfs/dbraw/zinc/10/45/40/442104540.db2.gz DOBXZLWRHIFDLI-LLVKDONJSA-N 0 0 348.432 1.212 10 0 EDAERN C[C@@H]1CN(C(=O)NCCSC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000175693640 442105996 /nfs/dbraw/zinc/10/59/96/442105996.db2.gz FLWRFYKSRNAFDW-MNOVXSKESA-N 0 0 341.399 1.602 10 0 EDAERN Cc1ccccc1OCCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175704333 442107882 /nfs/dbraw/zinc/10/78/82/442107882.db2.gz WKOWJHZYIDVJJD-IAGOWNOFSA-N 0 0 347.459 1.736 10 0 EDAERN NC(=O)N1CCC[C@@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000175703328 442108433 /nfs/dbraw/zinc/10/84/33/442108433.db2.gz YRYJHRHVIAEURN-GFCCVEGCSA-N 0 0 347.419 1.623 10 0 EDAERN CC(C)Cc1ccc([C@@H](C)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000121031316 442167211 /nfs/dbraw/zinc/16/72/11/442167211.db2.gz QVIJDTLDHVOQNW-APWZRJJASA-N 0 0 348.487 1.798 10 0 EDAERN O=C(CSCc1cccnc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127262761 442187331 /nfs/dbraw/zinc/18/73/31/442187331.db2.gz BDEUKIHFYBVUCK-HNNXBMFYSA-N 0 0 331.445 1.845 10 0 EDAERN CCOCCN1CCN(C(=O)c2cccc(-n3ccnn3)c2)C[C@@H]1C ZINC000152329219 442198118 /nfs/dbraw/zinc/19/81/18/442198118.db2.gz MJBBGRSEGDKHPZ-HNNXBMFYSA-N 0 0 343.431 1.450 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(C)C ZINC000126928494 442154629 /nfs/dbraw/zinc/15/46/29/442154629.db2.gz QRYXUVRVPNBMFB-NVXWUHKLSA-N 0 0 349.479 1.704 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000163374460 442162258 /nfs/dbraw/zinc/16/22/58/442162258.db2.gz BHKLIEWBAGLPBY-QGZVFWFLSA-N 0 0 347.459 1.354 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)Cc2sc(=S)[nH]c2C)n1 ZINC000121013174 442165299 /nfs/dbraw/zinc/16/52/99/442165299.db2.gz CVLSOOGXGOAXQY-SECBINFHSA-N 0 0 340.430 1.574 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000170712796 442251638 /nfs/dbraw/zinc/25/16/38/442251638.db2.gz QGHLDTRXBUZCPF-CYBMUJFWSA-N 0 0 328.368 1.482 10 0 EDAERN C[C@H](NC(=O)NCCc1cccc(O)c1)c1nnc2n1CCCC2 ZINC000152953997 442252791 /nfs/dbraw/zinc/25/27/91/442252791.db2.gz OKDCFOGXSVWYME-LBPRGKRZSA-N 0 0 329.404 1.923 10 0 EDAERN Cc1cc(NC(=O)NC[C@@H]2CN(C)CCO2)ccc1C(=O)N(C)C ZINC000152566008 442226490 /nfs/dbraw/zinc/22/64/90/442226490.db2.gz XBKTVRGJYXDZDR-CQSZACIVSA-N 0 0 334.420 1.149 10 0 EDAERN Cc1ccc([C@H](CNC(=O)COCC2CC2)N2CCOCC2)s1 ZINC000176563071 442234544 /nfs/dbraw/zinc/23/45/44/442234544.db2.gz HAOLNLYBGKNICC-HNNXBMFYSA-N 0 0 338.473 1.973 10 0 EDAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1CCC(CC)CC1 ZINC000170666147 442246029 /nfs/dbraw/zinc/24/60/29/442246029.db2.gz AAUQOKHVRBELKP-JXQTWKCFSA-N 0 0 332.466 1.817 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000152860490 442248210 /nfs/dbraw/zinc/24/82/10/442248210.db2.gz YJHIHBFAWNNQAM-OAGGEKHMSA-N 0 0 331.416 1.340 10 0 EDAERN CCOCCCNC(=O)[C@H](C)[S@](=O)Cc1nccn1C(C)C ZINC000176878276 442265945 /nfs/dbraw/zinc/26/59/45/442265945.db2.gz LENQUESRIHSBNC-WHEQGISXSA-N 0 0 329.466 1.644 10 0 EDAERN CC[C@@H](CCO)CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000176877493 442266024 /nfs/dbraw/zinc/26/60/24/442266024.db2.gz FPDCZLJQSWCZJU-JSGCOSHPSA-N 0 0 340.445 1.613 10 0 EDAERN CS(=O)(=O)CCOCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000153196543 442266601 /nfs/dbraw/zinc/26/66/01/442266601.db2.gz ZQYJUZBVEOEJJN-NWDGAFQWSA-N 0 0 347.383 1.246 10 0 EDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H](C)CS(C)(=O)=O)no1 ZINC000176923340 442273660 /nfs/dbraw/zinc/27/36/60/442273660.db2.gz QZTVJOMODLBWIF-QWRGUYRKSA-N 0 0 329.422 1.537 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(N(C)C)cc3)CCO2)[nH]1 ZINC000176940120 442275971 /nfs/dbraw/zinc/27/59/71/442275971.db2.gz VXGHFAALZIXNEV-CQSZACIVSA-N 0 0 330.392 1.785 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1c(CC)noc1CC)CC2 ZINC000128586467 442276254 /nfs/dbraw/zinc/27/62/54/442276254.db2.gz KJMQEPZRAIGZKC-LLVKDONJSA-N 0 0 346.435 1.768 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000176991053 442281512 /nfs/dbraw/zinc/28/15/12/442281512.db2.gz HIYNWOLBLIZQKE-CJNGLKHVSA-N 0 0 342.436 1.308 10 0 EDAERN COCc1cccc(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000176999853 442283080 /nfs/dbraw/zinc/28/30/80/442283080.db2.gz PCDUUTFTWJEZHM-AWEZNQCLSA-N 0 0 331.376 1.865 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000153521358 442287620 /nfs/dbraw/zinc/28/76/20/442287620.db2.gz NNLBWVSOKHIXLF-CQSZACIVSA-N 0 0 343.435 1.988 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCC(COc3ccccc3)CC2)C1 ZINC000170924163 442289208 /nfs/dbraw/zinc/28/92/08/442289208.db2.gz UJPXPWCUMCQBJJ-GOSISDBHSA-N 0 0 347.459 1.818 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)CC2 ZINC000153612506 442292384 /nfs/dbraw/zinc/29/23/84/442292384.db2.gz ASXXLCXKOAMLIB-UPJWGTAASA-N 0 0 347.419 1.560 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@H]1CCc2ncnn2C1 ZINC000154177049 442325721 /nfs/dbraw/zinc/32/57/21/442325721.db2.gz VNOZVEQPEAQVEM-HOTGVXAUSA-N 0 0 325.416 1.913 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cccc(NC(=O)NC3CC3)c2)C1 ZINC000171286525 442338110 /nfs/dbraw/zinc/33/81/10/442338110.db2.gz ZFRJMIPXJQZRFV-HNNXBMFYSA-N 0 0 332.404 1.031 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000171396363 442345625 /nfs/dbraw/zinc/34/56/25/442345625.db2.gz DOBYPEROWIHTKR-MRXNPFEDSA-N 0 0 340.383 1.925 10 0 EDAERN Cc1nccn1-c1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)cn1 ZINC000153900069 442310144 /nfs/dbraw/zinc/31/01/44/442310144.db2.gz MFWDTKSSBWGIPC-HZPDHXFCSA-N 0 0 343.431 1.926 10 0 EDAERN O=C(CN1CCC[C@H](n2cncn2)C1)NC(=O)Nc1ccccc1 ZINC000171703309 442372116 /nfs/dbraw/zinc/37/21/16/442372116.db2.gz JMLYWCZRWHEERH-AWEZNQCLSA-N 0 0 328.376 1.263 10 0 EDAERN COC(=O)c1ccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000171704214 442372127 /nfs/dbraw/zinc/37/21/27/442372127.db2.gz DJGRLCAGWLGYKE-HNNXBMFYSA-N 0 0 343.387 1.340 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000171705059 442372358 /nfs/dbraw/zinc/37/23/58/442372358.db2.gz BSHIKHLVLKGZOW-WFASDCNBSA-N 0 0 342.403 1.041 10 0 EDAERN Cc1ccc(SCCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000171866263 442386280 /nfs/dbraw/zinc/38/62/80/442386280.db2.gz FAJLNGQMHCNCPI-CYBMUJFWSA-N 0 0 331.445 1.993 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)NCc3cccc(CO)c3)CCO2)c1 ZINC000171921855 442391220 /nfs/dbraw/zinc/39/12/20/442391220.db2.gz BVLXPUTZAFQDGP-QGZVFWFLSA-N 0 0 344.415 1.294 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)CCCc3ccccn3)CC2)no1 ZINC000171977783 442395186 /nfs/dbraw/zinc/39/51/86/442395186.db2.gz DKJAITDQUQOZEH-UHFFFAOYSA-N 0 0 343.431 1.830 10 0 EDAERN CCOCCC1(CNC(=O)N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC000132634846 442397364 /nfs/dbraw/zinc/39/73/64/442397364.db2.gz HFSCEUUIZUZPFI-HNNXBMFYSA-N 0 0 327.469 1.555 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(OCc2ccccc2)nc1 ZINC000172002680 442397751 /nfs/dbraw/zinc/39/77/51/442397751.db2.gz CAVPUEBXNNMKKO-MRXNPFEDSA-N 0 0 349.394 1.997 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177982917 442399254 /nfs/dbraw/zinc/39/92/54/442399254.db2.gz FTBPCGKIKBLQEO-CQSZACIVSA-N 0 0 342.399 1.830 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2ccoc2)CC1 ZINC000172067533 442405837 /nfs/dbraw/zinc/40/58/37/442405837.db2.gz ZFNMWIQJLAKYPW-UHFFFAOYSA-N 0 0 331.420 1.657 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NCc3cccc(O)c3)CC2)cn1 ZINC000172141048 442414254 /nfs/dbraw/zinc/41/42/54/442414254.db2.gz QZUWJNDZDNZVJI-UHFFFAOYSA-N 0 0 343.431 1.543 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CCN(c2nc(C)cs2)CC1)C(C)C ZINC000178424011 442432695 /nfs/dbraw/zinc/43/26/95/442432695.db2.gz YEAGXWLNSBRGQE-GFCCVEGCSA-N 0 0 339.465 1.054 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(C)C ZINC000178693271 442457189 /nfs/dbraw/zinc/45/71/89/442457189.db2.gz KWFATBWIHIQTSN-CQSZACIVSA-N 0 0 331.420 1.821 10 0 EDAERN Cc1cnn(CCNC(=O)NCCNC(=O)c2ccccc2F)c1 ZINC000172279298 442434361 /nfs/dbraw/zinc/43/43/61/442434361.db2.gz QBGLIRGXUJTYJS-UHFFFAOYSA-N 0 0 333.367 1.060 10 0 EDAERN CC(C)C[C@@H](CN(C)C)NC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000178563073 442443737 /nfs/dbraw/zinc/44/37/37/442443737.db2.gz QKULFNWHMMUSHV-ZDUSSCGKSA-N 0 0 333.498 1.087 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H](COC)c2ccccc2)C[C@H]1C ZINC000172334526 442445545 /nfs/dbraw/zinc/44/55/45/442445545.db2.gz AKJMGATVJPRHRY-WBVHZDCISA-N 0 0 335.448 1.736 10 0 EDAERN CCC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(C)C ZINC000178642650 442451415 /nfs/dbraw/zinc/45/14/15/442451415.db2.gz RLVNWNBBYJTJTL-DOMZBBRYSA-N 0 0 326.462 1.998 10 0 EDAERN Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000172397771 442454304 /nfs/dbraw/zinc/45/43/04/442454304.db2.gz CXGURLHWZYGBOB-HNNXBMFYSA-N 0 0 338.415 1.875 10 0 EDAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCCO1 ZINC000156481626 442485996 /nfs/dbraw/zinc/48/59/96/442485996.db2.gz LOAIVKONISIKNR-UHFFFAOYSA-N 0 0 341.323 1.358 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(C(=O)OC)cc3)CCO2)cn1 ZINC000191713438 442495706 /nfs/dbraw/zinc/49/57/06/442495706.db2.gz QMXYUIPCYLWMOK-INIZCTEOSA-N 0 0 343.383 1.903 10 0 EDAERN CC(=O)NC1CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000191732048 442500855 /nfs/dbraw/zinc/50/08/55/442500855.db2.gz VMKIKAHQYVSJLZ-MRXNPFEDSA-N 0 0 337.423 1.976 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)COc3ccccc3OC)CCO2)cn1 ZINC000191754916 442505496 /nfs/dbraw/zinc/50/54/96/442505496.db2.gz BWXFDUFMVCIYTH-KRWDZBQOSA-N 0 0 345.399 1.891 10 0 EDAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000191761737 442506000 /nfs/dbraw/zinc/50/60/00/442506000.db2.gz IYWVCLHHUKSVED-GFCCVEGCSA-N 0 0 329.404 1.671 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000191761477 442506449 /nfs/dbraw/zinc/50/64/49/442506449.db2.gz MFOLZZPRTZNNDU-SECBINFHSA-N 0 0 346.355 1.034 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000156270201 442461740 /nfs/dbraw/zinc/46/17/40/442461740.db2.gz ATVROJCWIGSXQM-NSHDSACASA-N 0 0 342.403 1.857 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000191552745 442463022 /nfs/dbraw/zinc/46/30/22/442463022.db2.gz CLCLWBRACYWESB-GFCCVEGCSA-N 0 0 334.420 1.679 10 0 EDAERN O=C(/C=C/c1cncc(O)c1)N1CCC(Nc2cccnn2)CC1 ZINC000179500816 442467252 /nfs/dbraw/zinc/46/72/52/442467252.db2.gz DAGSYUHTUJLIDP-ONEGZZNKSA-N 0 0 325.372 1.694 10 0 EDAERN Cc1ccc2oc(N3CCN(C(=O)N[C@H]4CCOC4)CC3)nc2c1 ZINC000178753471 442475724 /nfs/dbraw/zinc/47/57/24/442475724.db2.gz QEHFPMXRBYMHAR-ZDUSSCGKSA-N 0 0 330.388 1.757 10 0 EDAERN CCOCCCC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172532941 442482264 /nfs/dbraw/zinc/48/22/64/442482264.db2.gz JQUWJIJRURAQDW-UHFFFAOYSA-N 0 0 336.436 1.798 10 0 EDAERN COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)c1ccc(OC)cc1)CC2 ZINC000135115127 442558383 /nfs/dbraw/zinc/55/83/83/442558383.db2.gz HYUFJHSMODETOM-GXTWGEPZSA-N 0 0 344.415 1.668 10 0 EDAERN CC1=NN(c2ccc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc2)CC1 ZINC000172760588 442536973 /nfs/dbraw/zinc/53/69/73/442536973.db2.gz IGWMDWXEMNPGPJ-SFHVURJKSA-N 0 0 342.443 1.819 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C12CCOCC2 ZINC000186469813 442540870 /nfs/dbraw/zinc/54/08/70/442540870.db2.gz JTKCDFUBYOHOJQ-QWHCGFSZSA-N 0 0 335.404 1.091 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000186349702 442517259 /nfs/dbraw/zinc/51/72/59/442517259.db2.gz DUIYAWFIFALDTG-GOSISDBHSA-N 0 0 330.384 1.700 10 0 EDAERN O=C(NC[C@@H]1CCCO1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178920237 442525893 /nfs/dbraw/zinc/52/58/93/442525893.db2.gz SJQUXZIIAMNMGA-HUBLWGQQSA-N 0 0 326.343 1.961 10 0 EDAERN O=C(Cc1cnn(-c2ccccc2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747927 442532808 /nfs/dbraw/zinc/53/28/08/442532808.db2.gz UIKMNHMHHKNIJG-GOSISDBHSA-N 0 0 340.427 1.348 10 0 EDAERN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000172750761 442533589 /nfs/dbraw/zinc/53/35/89/442533589.db2.gz RSKZHKFVXDWUQK-HNNXBMFYSA-N 0 0 344.390 1.763 10 0 EDAERN Cc1ccc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)c(Br)c1 ZINC000179171115 442588909 /nfs/dbraw/zinc/58/89/09/442588909.db2.gz NMYJMWZMKSGBND-MNOVXSKESA-N 0 0 343.221 1.124 10 0 EDAERN Cc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)ccc1Br ZINC000179178402 442591150 /nfs/dbraw/zinc/59/11/50/442591150.db2.gz BJBUGMTYCRQFKI-NEPJUHHUSA-N 0 0 343.221 1.124 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(CC(C)C)[nH]c(=O)c1)CC2 ZINC000180415044 442599589 /nfs/dbraw/zinc/59/95/89/442599589.db2.gz YHVAPAYARZRNOS-ZDUSSCGKSA-N 0 0 343.431 1.884 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179233851 442602611 /nfs/dbraw/zinc/60/26/11/442602611.db2.gz UKTXKEFOQNZVHK-UKRRQHHQSA-N 0 0 346.431 1.652 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180256149 442567527 /nfs/dbraw/zinc/56/75/27/442567527.db2.gz QNCNSEJTXYKFQY-GDBMZVCRSA-N 0 0 331.416 1.113 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000180260909 442567735 /nfs/dbraw/zinc/56/77/35/442567735.db2.gz NODIUVBQBBYQEX-YMAMQOFZSA-N 0 0 348.447 1.485 10 0 EDAERN Cc1csc(=O)n1CCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135801888 442635426 /nfs/dbraw/zinc/63/54/26/442635426.db2.gz WHEIBVHNPCZIKO-CQSZACIVSA-N 0 0 333.413 1.683 10 0 EDAERN C[C@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)[C@H]1CCCO1 ZINC000180650712 442643345 /nfs/dbraw/zinc/64/33/45/442643345.db2.gz PRFLPCBHHKNBSP-FRJFDASCSA-N 0 0 336.413 1.374 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCOC[C@H]3C)CC2)n1 ZINC000192530190 442658621 /nfs/dbraw/zinc/65/86/21/442658621.db2.gz WFMWDASIHIZTFA-UKRRQHHQSA-N 0 0 348.447 1.505 10 0 EDAERN CN(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)c1cnn(C)c1 ZINC000173180467 442618383 /nfs/dbraw/zinc/61/83/83/442618383.db2.gz WUDACDBAFQWFGH-NVXWUHKLSA-N 0 0 326.400 1.993 10 0 EDAERN CCOc1cc(C(=O)N[C@@H](C(=O)NC)C(C)C)cc(Cl)c1O ZINC000186885651 442625436 /nfs/dbraw/zinc/62/54/36/442625436.db2.gz BUIDSWIMWIQWHS-GFCCVEGCSA-N 0 0 328.796 1.945 10 0 EDAERN C[C@@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccc2c(c1)OCCO2 ZINC000181451179 442698216 /nfs/dbraw/zinc/69/82/16/442698216.db2.gz ALLSLHZUXNTCJM-SNVBAGLBSA-N 0 0 339.355 1.626 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000181464593 442698587 /nfs/dbraw/zinc/69/85/87/442698587.db2.gz KZVBVAJYDPOYGJ-LBPRGKRZSA-N 0 0 336.436 1.812 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000181460162 442698591 /nfs/dbraw/zinc/69/85/91/442698591.db2.gz AFENMMCKGWWJGF-CQSZACIVSA-N 0 0 348.447 1.883 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cc3ncn(-c4ccccc4)n3)CCO2)c1 ZINC000181564101 442704252 /nfs/dbraw/zinc/70/42/52/442704252.db2.gz NSSXJNYNXBLTNQ-QGZVFWFLSA-N 0 0 338.415 1.673 10 0 EDAERN CCCC(=O)Nc1ccc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000192641782 442671270 /nfs/dbraw/zinc/67/12/70/442671270.db2.gz MXGQYSXGMLPOPT-MRXNPFEDSA-N 0 0 348.447 1.995 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(C)c(F)cc1F ZINC000188204292 442724032 /nfs/dbraw/zinc/72/40/32/442724032.db2.gz TUSIPQBLFZQCRM-CQSZACIVSA-N 0 0 333.356 1.989 10 0 EDAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Cn2cccn2)CC1 ZINC000181995566 442726401 /nfs/dbraw/zinc/72/64/01/442726401.db2.gz KNESAYMVFARMPB-HNNXBMFYSA-N 0 0 345.447 1.316 10 0 EDAERN C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1C(=O)OC(C)(C)C ZINC000188309632 442736988 /nfs/dbraw/zinc/73/69/88/442736988.db2.gz UMLLNUQXXLYXRK-GXTWGEPZSA-N 0 0 336.436 1.867 10 0 EDAERN Cc1cc(COCC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)on1 ZINC000193549906 442752576 /nfs/dbraw/zinc/75/25/76/442752576.db2.gz AHTJUTCEZZZBGT-LBPRGKRZSA-N 0 0 333.392 1.346 10 0 EDAERN COc1ccc(C(=O)CCCC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188090556 442710331 /nfs/dbraw/zinc/71/03/31/442710331.db2.gz JJQLYCDXHQFADO-ZDUSSCGKSA-N 0 0 332.400 1.785 10 0 EDAERN Cc1ccc(CN(CCO)C(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000182600559 442793010 /nfs/dbraw/zinc/79/30/10/442793010.db2.gz JEGUCAFUISGGTO-MRXNPFEDSA-N 0 0 335.448 1.220 10 0 EDAERN O=S(=O)(c1ccco1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188711221 442794710 /nfs/dbraw/zinc/79/47/10/442794710.db2.gz HIVUGFGZVYUECA-OAHLLOKOSA-N 0 0 336.413 1.320 10 0 EDAERN CCN(C)C(=O)c1cccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188561493 442763301 /nfs/dbraw/zinc/76/33/01/442763301.db2.gz DXOXEYHGCNEOSF-UHFFFAOYSA-N 0 0 343.427 1.519 10 0 EDAERN CCc1cccc(C)c1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000193665495 442765891 /nfs/dbraw/zinc/76/58/91/442765891.db2.gz YBPHURAJQRDLIP-HNNXBMFYSA-N 0 0 331.416 1.623 10 0 EDAERN C[C@H](NC(=O)N[C@@H]1C(=O)NCC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000193890513 442807002 /nfs/dbraw/zinc/80/70/02/442807002.db2.gz WZHQSPMTSOVWSR-XEZPLFJOSA-N 0 0 341.415 1.757 10 0 EDAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246918970 442821431 /nfs/dbraw/zinc/82/14/31/442821431.db2.gz GLADDJROGUAXQV-GJZGRUSLSA-N 0 0 333.432 1.155 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2)C[C@H]1C ZINC000246971624 442825019 /nfs/dbraw/zinc/82/50/19/442825019.db2.gz DWCVCNHLOOWOQF-OAHLLOKOSA-N 0 0 326.462 1.726 10 0 EDAERN COCCC[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182791637 442825736 /nfs/dbraw/zinc/82/57/36/442825736.db2.gz METHLQJPPQONIK-TZMCWYRMSA-N 0 0 336.436 1.403 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C[C@H]1C ZINC000247186268 442839944 /nfs/dbraw/zinc/83/99/44/442839944.db2.gz SBSRPIWEDMDZFB-IIDMSEBBSA-N 0 0 348.443 1.784 10 0 EDAERN CCOc1ccc(C(=O)CCC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188955626 442848693 /nfs/dbraw/zinc/84/86/93/442848693.db2.gz BQIBAAMLYQJBJB-ZDUSSCGKSA-N 0 0 332.400 1.785 10 0 EDAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000194204494 442861397 /nfs/dbraw/zinc/86/13/97/442861397.db2.gz IHJCUARXKHKVKX-GFCCVEGCSA-N 0 0 333.779 1.561 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000189221962 442899950 /nfs/dbraw/zinc/89/99/50/442899950.db2.gz PVSZCWOVGQBRCT-UHFFFAOYSA-N 0 0 341.411 1.230 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000189107660 442878864 /nfs/dbraw/zinc/87/88/64/442878864.db2.gz ZVOGLZSQMBTQOC-CYBMUJFWSA-N 0 0 330.392 1.073 10 0 EDAERN Cc1cnn(C[C@H]2CN(CCOCC(F)(F)C(F)F)CCO2)c1 ZINC000189211655 442898104 /nfs/dbraw/zinc/89/81/04/442898104.db2.gz YUQPHBRUSNAGLZ-GFCCVEGCSA-N 0 0 339.333 1.809 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cnn(CC(C)C)c3)CCO2)[nH]1 ZINC000183208005 442903522 /nfs/dbraw/zinc/90/35/22/442903522.db2.gz OGVKBFDFJCMDOQ-CYBMUJFWSA-N 0 0 332.408 1.433 10 0 EDAERN CC(C)(C)[C@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)OCc1ccccc1 ZINC000183237780 442909468 /nfs/dbraw/zinc/90/94/68/442909468.db2.gz PLGUJRFPSPJFOL-DZGCQCFKSA-N 0 0 332.400 1.397 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000248630051 442910018 /nfs/dbraw/zinc/91/00/18/442910018.db2.gz GSDWLEDETIJORS-CZUORRHYSA-N 0 0 326.462 1.573 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000182516771 318507423 /nfs/dbraw/zinc/50/74/23/318507423.db2.gz IPBZPCKQZSDJEH-NSHDSACASA-N 0 0 327.331 1.466 10 0 EDAERN CNc1cc(N2CCC[C@H]2CN[C@@H](C)c2nc(COC)no2)ncn1 ZINC000183090223 318518679 /nfs/dbraw/zinc/51/86/79/318518679.db2.gz DRQUHBSACVYTJQ-RYUDHWBXSA-N 0 0 347.423 1.367 10 0 EDAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1-c1ccccc1F ZINC000194615291 442923648 /nfs/dbraw/zinc/92/36/48/442923648.db2.gz VTLFKTADWWGSSI-ZDUSSCGKSA-N 0 0 332.379 1.380 10 0 EDAERN O=C(NC1CN(C(=O)c2cc(F)ccc2Br)C1)C1CC1 ZINC000189379814 442933910 /nfs/dbraw/zinc/93/39/10/442933910.db2.gz GFTTVITZGVJSPZ-UHFFFAOYSA-N 0 0 341.180 1.939 10 0 EDAERN O=C(CCc1ccc(O)cc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000183634889 442947646 /nfs/dbraw/zinc/94/76/46/442947646.db2.gz JPYYSWQOCFFXLL-HNNXBMFYSA-N 0 0 326.400 1.900 10 0 EDAERN C[C@@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000189452529 442957332 /nfs/dbraw/zinc/95/73/32/442957332.db2.gz LLQAYXMEGGBPSB-HIFRSBDPSA-N 0 0 341.415 1.264 10 0 EDAERN O=C(Cc1cccc(C(F)(F)F)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189456539 442959086 /nfs/dbraw/zinc/95/90/86/442959086.db2.gz IMICNDKOWMBCBF-UHFFFAOYSA-N 0 0 326.318 1.985 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000194938159 442970116 /nfs/dbraw/zinc/97/01/16/442970116.db2.gz IBYORPXBQIOBMJ-GFCCVEGCSA-N 0 0 339.355 1.676 10 0 EDAERN CC(C)c1nnc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)n1C ZINC000194672084 318592306 /nfs/dbraw/zinc/59/23/06/318592306.db2.gz VORJPZXVIIWCNT-UHFFFAOYSA-N 0 0 341.371 1.430 10 0 EDAERN C[C@@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)N1CCOCC1 ZINC000195060558 442980613 /nfs/dbraw/zinc/98/06/13/442980613.db2.gz RVWFIYGRJNHJNP-AWEZNQCLSA-N 0 0 345.447 1.515 10 0 EDAERN C[C@H](CCNC(=O)NCc1cnn(C)c1)NC(=O)OC(C)(C)C ZINC000195166623 442991144 /nfs/dbraw/zinc/99/11/44/442991144.db2.gz OTSUGEKOROSXTB-LLVKDONJSA-N 0 0 325.413 1.523 10 0 EDAERN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000184128367 442994110 /nfs/dbraw/zinc/99/41/10/442994110.db2.gz PTZUBXWBGZVGHF-KBPBESRZSA-N 0 0 349.435 1.876 10 0 EDAERN C[C@H](O)CN(C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[C@@H](C)CO ZINC000249089605 442950515 /nfs/dbraw/zinc/95/05/15/442950515.db2.gz NFQKPXGIMOUWJU-SGMGOOAPSA-N 0 0 348.365 1.933 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCS(=O)CC1 ZINC000184253884 443006051 /nfs/dbraw/zinc/00/60/51/443006051.db2.gz LRGINPHTCPHINH-LBPRGKRZSA-N 0 0 334.363 1.934 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1nc3ccccn3n1)CC2 ZINC000184340439 443014160 /nfs/dbraw/zinc/01/41/60/443014160.db2.gz XVFRHJNZFJZFKG-NSHDSACASA-N 0 0 340.391 1.581 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]2CCO)C1 ZINC000251994906 443020873 /nfs/dbraw/zinc/02/08/73/443020873.db2.gz VPKWTKJZZBMUIZ-RRFJBIMHSA-N 0 0 325.453 1.628 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000184447043 443022277 /nfs/dbraw/zinc/02/22/77/443022277.db2.gz JMWYEXKUNYHSRO-STQMWFEESA-N 0 0 339.386 1.794 10 0 EDAERN CCCCCS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000184464687 443024311 /nfs/dbraw/zinc/02/43/11/443024311.db2.gz UKAKHGCAXNVMOE-HNNXBMFYSA-N 0 0 329.466 1.721 10 0 EDAERN Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)[C@H]2CCOC2)c(C)[nH]1 ZINC000252527521 443041006 /nfs/dbraw/zinc/04/10/06/443041006.db2.gz CTVZTAVBLZASPI-DOTOQJQBSA-N 0 0 335.448 1.327 10 0 EDAERN Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)[C@H]2CCOC2)c(C)[nH]1 ZINC000252527523 443041213 /nfs/dbraw/zinc/04/12/13/443041213.db2.gz CTVZTAVBLZASPI-RDJZCZTQSA-N 0 0 335.448 1.327 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)N(C)CC ZINC000184573272 443041885 /nfs/dbraw/zinc/04/18/85/443041885.db2.gz WTCVIKCFHYCEPN-CJNGLKHVSA-N 0 0 333.432 1.426 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCOc2c(C)cccc2C)CC1 ZINC000184878451 443090140 /nfs/dbraw/zinc/09/01/40/443090140.db2.gz FSXDQXVTSUXYCE-KRWDZBQOSA-N 0 0 349.475 1.780 10 0 EDAERN CCOC(=O)CNC(=O)c1cc(I)ccc1N ZINC000215855582 443056579 /nfs/dbraw/zinc/05/65/79/443056579.db2.gz VQRRRXJZYCYXOJ-UHFFFAOYSA-N 0 0 348.140 1.166 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CO)Cc1ccc(C)cc1 ZINC000190243019 443075755 /nfs/dbraw/zinc/07/57/55/443075755.db2.gz CHLHVLBVLSWJLT-CVEARBPZSA-N 0 0 343.431 1.633 10 0 EDAERN Ic1ccc(OCCN2CCOCC2)nc1 ZINC000224477054 443099073 /nfs/dbraw/zinc/09/90/73/443099073.db2.gz DFFOIXGNAMXVHL-UHFFFAOYSA-N 0 0 334.157 1.397 10 0 EDAERN Cc1cc(CC(=O)N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)on1 ZINC000222992566 443084430 /nfs/dbraw/zinc/08/44/30/443084430.db2.gz DOBSSGNKOPUURD-SFHVURJKSA-N 0 0 344.415 1.988 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000190741022 443174646 /nfs/dbraw/zinc/17/46/46/443174646.db2.gz BZNJXMHDIPZEAQ-GOSISDBHSA-N 0 0 328.368 1.625 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)Nc3ccc(Cl)cn3)CCO2)cn1 ZINC000190783439 443183511 /nfs/dbraw/zinc/18/35/11/443183511.db2.gz BBMGOTXFPHGFTG-CQSZACIVSA-N 0 0 349.822 1.963 10 0 EDAERN COc1cc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)ccc1F ZINC000190649946 443157493 /nfs/dbraw/zinc/15/74/93/443157493.db2.gz OTSZDVCEEPEEHP-NSHDSACASA-N 0 0 340.380 1.452 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)c2n[nH]c3c2CCCCC3)n1 ZINC000191011589 443225176 /nfs/dbraw/zinc/22/51/76/443225176.db2.gz VNLDWQOHBROXST-ZDUSSCGKSA-N 0 0 331.376 1.584 10 0 EDAERN C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000245503198 443233002 /nfs/dbraw/zinc/23/30/02/443233002.db2.gz HRMQVXARALOIBR-SCAQPMJSSA-N 0 0 349.479 1.593 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1)[C@H]1CCCO1 ZINC000191081245 443237801 /nfs/dbraw/zinc/23/78/01/443237801.db2.gz OKZPWZDOANUFRJ-WCBMZHEXSA-N 0 0 331.294 1.723 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000185743792 443248984 /nfs/dbraw/zinc/24/89/84/443248984.db2.gz REDXKIWWALUDIQ-SJKOYZFVSA-N 0 0 331.416 1.466 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCN1CCOC ZINC000185758752 443252944 /nfs/dbraw/zinc/25/29/44/443252944.db2.gz CWTYWQXKBRBQLR-MRXNPFEDSA-N 0 0 343.431 1.655 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000191197741 443257666 /nfs/dbraw/zinc/25/76/66/443257666.db2.gz VLTYCFYNFDVGQS-ZDUSSCGKSA-N 0 0 346.431 1.823 10 0 EDAERN COC1(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CCCCC1 ZINC000185925239 443284527 /nfs/dbraw/zinc/28/45/27/443284527.db2.gz MLZAQCKFDUOWID-CVEARBPZSA-N 0 0 339.480 1.698 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000185956704 443290954 /nfs/dbraw/zinc/29/09/54/443290954.db2.gz FYDLJAWHOVSURL-KRWDZBQOSA-N 0 0 349.475 1.512 10 0 EDAERN CC(=O)NC1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000191509866 443304766 /nfs/dbraw/zinc/30/47/66/443304766.db2.gz ZCIFGZOEGRANKI-UHFFFAOYSA-N 0 0 333.388 1.839 10 0 EDAERN CO[C@H](C)[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)OC ZINC000191448833 443295917 /nfs/dbraw/zinc/29/59/17/443295917.db2.gz GBZYPOHDNVUYAT-JRULLXGZSA-N 0 0 328.453 1.482 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)Cc2c(C)noc2C)cn1 ZINC000275532421 443631066 /nfs/dbraw/zinc/63/10/66/443631066.db2.gz YSCTYRGBOOPZQK-WMLDXEAASA-N 0 0 331.372 1.884 10 0 EDAERN NC(=O)[C@@H]1CN(c2nc3ccccc3c(=O)[nH]2)C[C@H]1C(F)(F)F ZINC000299740703 444129364 /nfs/dbraw/zinc/12/93/64/444129364.db2.gz BFGYRKTVHILKBH-RKDXNWHRSA-N 0 0 326.278 1.435 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(c3ccnc4ccncc43)CC[C@@H]21 ZINC000299745417 444132436 /nfs/dbraw/zinc/13/24/36/444132436.db2.gz YXBJMBXGLUNHHX-ZBFHGGJFSA-N 0 0 327.388 1.249 10 0 EDAERN CCn1cnnc1[C@H]1CN(Cc2nc3c(cccc3F)[nH]2)CCO1 ZINC000328625807 444400730 /nfs/dbraw/zinc/40/07/30/444400730.db2.gz DMLWWUODTKLRKR-CYBMUJFWSA-N 0 0 330.367 1.887 10 0 EDAERN Cn1cc(CCC(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)cn1 ZINC000328628682 444401543 /nfs/dbraw/zinc/40/15/43/444401543.db2.gz HMORBTKDOCTBRX-OAHLLOKOSA-N 0 0 342.447 1.823 10 0 EDAERN CCc1noc([C@]2(O)CCN(C(=O)c3ccc4ccccc4n3)C2)n1 ZINC000375712151 446993631 /nfs/dbraw/zinc/99/36/31/446993631.db2.gz QVMHNAQRLBQNKA-SFHVURJKSA-N 0 0 338.367 1.914 10 0 EDAERN COC(=O)Cc1cc(N)c([N+](=O)[O-])c(I)c1 ZINC000575641511 447878685 /nfs/dbraw/zinc/87/86/85/447878685.db2.gz VMJOXWQYDAKDLO-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN CCOC(=O)Cc1c(I)ccc(N)c1OC ZINC000575724345 447882941 /nfs/dbraw/zinc/88/29/41/447882941.db2.gz BXTJXODXPYWFPJ-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN CN1C(=O)C[C@@H](NCc2cn(C(C)(C)C)nn2)[C@@H]1c1cccnc1 ZINC000583616643 448443553 /nfs/dbraw/zinc/44/35/53/448443553.db2.gz WFDDGIVZPVMSAM-ZBFHGGJFSA-N 0 0 328.420 1.490 10 0 EDAERN Cn1cc(Cl)cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583619541 448449823 /nfs/dbraw/zinc/44/98/23/448449823.db2.gz KRLPITVIYBVFTJ-DOMZBBRYSA-N 0 0 332.791 1.775 10 0 EDAERN Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1C ZINC000583621322 448452387 /nfs/dbraw/zinc/45/23/87/448452387.db2.gz PKBBCWWWUMMNPU-GJZGRUSLSA-N 0 0 345.374 1.484 10 0 EDAERN Cn1cnnc1[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)CCO1 ZINC000583623927 448454061 /nfs/dbraw/zinc/45/40/61/448454061.db2.gz ONDINQRRHGMCLV-KKUMJFAQSA-N 0 0 327.388 1.454 10 0 EDAERN NS(=O)(=O)c1cccc(-c2cccc3ccoc32)c1-c1nn[nH]n1 ZINC000584596824 448582650 /nfs/dbraw/zinc/58/26/50/448582650.db2.gz MQBRTWWWJCFIOH-UHFFFAOYSA-N 0 0 341.352 1.927 10 0 EDAERN COC(=O)c1sc2cnc(S(C)(=O)=O)nc2c1-c1cn[nH]c1 ZINC000584655981 448590069 /nfs/dbraw/zinc/59/00/69/448590069.db2.gz JTUMKMBLTXBWNN-UHFFFAOYSA-N 0 0 338.370 1.272 10 0 EDAERN CC(C)(C)OC(=O)N1CC(O)(c2ncc(Br)cn2)C1 ZINC000584653377 448590233 /nfs/dbraw/zinc/59/02/33/448590233.db2.gz GNTOWSDEWIETFY-UHFFFAOYSA-N 0 0 330.182 1.677 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)NCC2=CCCOC2)[C@H]1c1ccnn1C ZINC000614879035 449858789 /nfs/dbraw/zinc/85/87/89/449858789.db2.gz GXZOYWAALLMIQH-YOEHRIQHSA-N 0 0 346.431 1.183 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2cc3ccccc3nn2)Nc2ccccc21 ZINC000616583350 450453790 /nfs/dbraw/zinc/45/37/90/450453790.db2.gz HMUASFCUIPAGNK-HNNXBMFYSA-N 0 0 341.396 1.807 10 0 EDAERN CC(=O)Nc1cccc([C@@H]2Cc3ccccc3N(S(N)(=O)=O)C2)c1 ZINC000616593035 450454417 /nfs/dbraw/zinc/45/44/17/450454417.db2.gz NKIIMRGXHYIFHK-OAHLLOKOSA-N 0 0 345.424 1.995 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2ccccc2CO)C1 ZINC000616604639 450455497 /nfs/dbraw/zinc/45/54/97/450455497.db2.gz XZIDMMYSEYYILR-QGZVFWFLSA-N 0 0 332.425 1.514 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@@H]1c1cccc2ccnnc21 ZINC000616684001 450459959 /nfs/dbraw/zinc/45/99/59/450459959.db2.gz WYJPZWWMSCPJOA-OAHLLOKOSA-N 0 0 341.396 1.807 10 0 EDAERN Cc1nnc(COC2CN(C(=O)[C@@H]3CCCN3CC(F)(F)F)C2)o1 ZINC000644214947 453148532 /nfs/dbraw/zinc/14/85/32/453148532.db2.gz HXBKFLFJTAQJLJ-NSHDSACASA-N 0 0 348.325 1.132 10 0 EDAERN Cc1noc(C)c1CCC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583619547 486278643 /nfs/dbraw/zinc/27/86/43/486278643.db2.gz NOIIOSRJSHGEDT-QAPCUYQASA-N 0 0 342.399 1.707 10 0 EDAERN O=C(c1ccc2c(c1)CCCC2)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671499271 486627661 /nfs/dbraw/zinc/62/76/61/486627661.db2.gz OTZRIUYEBGJVLC-GOSISDBHSA-N 0 0 326.400 1.434 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000088198486 491193847 /nfs/dbraw/zinc/19/38/47/491193847.db2.gz SKCUPJIPQWXVFX-JSGCOSHPSA-N 0 0 330.363 1.934 10 0 EDAERN CC(C)Cc1ccc(CCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000132375380 491215748 /nfs/dbraw/zinc/21/57/48/491215748.db2.gz GIIUVFUFHNMQDB-IBGZPJMESA-N 0 0 348.487 1.627 10 0 EDAERN C[C@@H](O)C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000187561553 533729620 /nfs/dbraw/zinc/72/96/20/533729620.db2.gz UTOIIWREXQVYFU-CJNGLKHVSA-N 0 0 345.443 1.461 10 0 EDAERN C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(Cl)c(Cl)c1 ZINC000174420292 533742458 /nfs/dbraw/zinc/74/24/58/533742458.db2.gz BPJISSZNMIIABI-YFKPBYRVSA-N 0 0 343.170 1.443 10 0 EDAERN Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c2cnn(C)c2n1 ZINC000181244610 534058635 /nfs/dbraw/zinc/05/86/35/534058635.db2.gz UDOVRMADHWCCPJ-NSHDSACASA-N 0 0 327.388 1.017 10 0 EDAERN Cc1cc2ccccc2n1CC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173546922 534123257 /nfs/dbraw/zinc/12/32/57/534123257.db2.gz XVGLDHWWAACGFP-MRXNPFEDSA-N 0 0 339.399 1.976 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1nnc(C(C)C)n1C ZINC000183507170 534180484 /nfs/dbraw/zinc/18/04/84/534180484.db2.gz BRRNAVBPKXOOHM-LLVKDONJSA-N 0 0 325.413 1.325 10 0 EDAERN COC(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1Cl ZINC000190190578 534217977 /nfs/dbraw/zinc/21/79/77/534217977.db2.gz YPBUNWCLUPQOLG-JTQLQIEISA-N 0 0 349.778 1.855 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)CCSc1ccccc1N ZINC000168692592 534228394 /nfs/dbraw/zinc/22/83/94/534228394.db2.gz CYMFVBGJGVJOCI-APBUJDDRSA-N 0 0 336.504 1.047 10 0 EDAERN COC(=O)c1coc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000183594513 534313360 /nfs/dbraw/zinc/31/33/60/534313360.db2.gz JIQFNFIOMOIQLT-CQSZACIVSA-N 0 0 347.371 1.421 10 0 EDAERN O=C(Nc1cccc(Cl)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174010081 534345002 /nfs/dbraw/zinc/34/50/02/534345002.db2.gz LKUCGKNAVFRYLJ-AWEZNQCLSA-N 0 0 337.807 1.212 10 0 EDAERN Nc1ccc2c(c1)N(C(=O)[C@H]1CCCCS1(=O)=O)CCS2 ZINC000167836871 534738313 /nfs/dbraw/zinc/73/83/13/534738313.db2.gz LVLWKLWEGMQPBG-CYBMUJFWSA-N 0 0 326.443 1.675 10 0 EDAERN CC(=O)N[C@H]1CCN(c2cccc(Br)c2C(N)=S)C1 ZINC000168792134 526907258 /nfs/dbraw/zinc/90/72/58/526907258.db2.gz LMDFHGIKSBPJNC-VIFPVBQESA-N 0 0 342.262 1.798 10 0 EDAERN CC(C)NC(=O)[C@H]1COCCN1Cc1cncc(Br)c1 ZINC000168427016 527717165 /nfs/dbraw/zinc/71/71/65/527717165.db2.gz CWYZIZMZEJBMON-CYBMUJFWSA-N 0 0 342.237 1.570 10 0 EDAERN CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168876725 527732680 /nfs/dbraw/zinc/73/26/80/527732680.db2.gz HKLBIOGZVUGCOL-JOYOIKCWSA-N 0 0 340.221 1.860 10 0 EDAERN CCNC(=O)CN(C)c1cccc(Br)c1C(N)=S ZINC000168705834 528074462 /nfs/dbraw/zinc/07/44/62/528074462.db2.gz LULDIEBKFCNESY-UHFFFAOYSA-N 0 0 330.251 1.656 10 0 EDAERN CCOc1c(Br)cc(CNOCC(N)=O)cc1OC ZINC000169153723 528166371 /nfs/dbraw/zinc/16/63/71/528166371.db2.gz KQULQMXLDAJRHK-UHFFFAOYSA-N 0 0 333.182 1.363 10 0 EDAERN CC(C)c1nc(C2(NC[C@@H](O)CN3CCCC3=O)CCCC2)no1 ZINC000174242050 528267450 /nfs/dbraw/zinc/26/74/50/528267450.db2.gz NUABFVFBVDJXGL-CYBMUJFWSA-N 0 0 336.436 1.535 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000184205022 528481101 /nfs/dbraw/zinc/48/11/01/528481101.db2.gz PVGVHZMCBJSUBZ-SFHVURJKSA-N 0 0 347.459 1.542 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000173697706 528488139 /nfs/dbraw/zinc/48/81/39/528488139.db2.gz QXDJIIKSLHGYCQ-CQSZACIVSA-N 0 0 343.387 1.479 10 0 EDAERN CCN(CCO)C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175053441 528525404 /nfs/dbraw/zinc/52/54/04/528525404.db2.gz UDDMRILGFJANMP-ZIAGYGMSSA-N 0 0 341.477 1.534 10 0 EDAERN CCCc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173997669 528626195 /nfs/dbraw/zinc/62/61/95/528626195.db2.gz SVKXCVRCSXNGFT-INIZCTEOSA-N 0 0 338.473 1.734 10 0 EDAERN CC(C)[C@H](NC(=O)Nc1ccccc1-c1nnnn1C(C)C)C(N)=O ZINC000184331137 529100298 /nfs/dbraw/zinc/10/02/98/529100298.db2.gz YRSTWWLQGOKIGB-ZDUSSCGKSA-N 0 0 345.407 1.552 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCOc3ccccc32)CC1 ZINC000181733681 529226674 /nfs/dbraw/zinc/22/66/74/529226674.db2.gz OYNSZASZZVVEJC-HZPDHXFCSA-N 0 0 347.459 1.651 10 0 EDAERN CC[C@H]1NC(=O)C(C)(C)N(Cc2cncc(Br)c2)C1=O ZINC000168891662 529330402 /nfs/dbraw/zinc/33/04/02/529330402.db2.gz BJDXHEATQVGDLM-LLVKDONJSA-N 0 0 340.221 1.860 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000124687767 535021043 /nfs/dbraw/zinc/02/10/43/535021043.db2.gz GHOIQOFRWFHXSG-CJNGLKHVSA-N 0 0 346.493 1.536 10 0 EDAERN CCCNC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000064590945 535094954 /nfs/dbraw/zinc/09/49/54/535094954.db2.gz HYUCZUDYHRQNDI-UHFFFAOYSA-N 0 0 347.419 1.245 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000193381425 535317144 /nfs/dbraw/zinc/31/71/44/535317144.db2.gz BXRNBEIVWBTGQK-GOEBONIOSA-N 0 0 337.391 1.921 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000041601257 535434170 /nfs/dbraw/zinc/43/41/70/535434170.db2.gz YMHSKUUULVCLBJ-AWEZNQCLSA-N 0 0 333.432 1.415 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](O)c2ccccc2)C12CCOCC2 ZINC000248715297 535476950 /nfs/dbraw/zinc/47/69/50/535476950.db2.gz NMHBAYUAXIDWNA-IXDOHACOSA-N 0 0 348.443 1.993 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCCC[C@@H]2OC)C1 ZINC000263247809 535779348 /nfs/dbraw/zinc/77/93/48/535779348.db2.gz OPFNYXDGIYAQTO-PQAZSJQKSA-N 0 0 327.425 1.181 10 0 EDAERN CCn1c(C)nnc1C[S@](=O)CCN1C(=O)c2ccccc2C1=O ZINC000194219308 535976810 /nfs/dbraw/zinc/97/68/10/535976810.db2.gz MQVJGWQXLGSKHG-XMMPIXPASA-N 0 0 346.412 1.151 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000091049904 535976827 /nfs/dbraw/zinc/97/68/27/535976827.db2.gz ZBWPPDZJVBFCAA-LBPRGKRZSA-N 0 0 344.481 1.414 10 0 EDAERN CN[C@H](C(=O)Nc1ccc2c(c1)CCCN2C(C)=O)c1cnn(C)c1 ZINC000262027413 536387721 /nfs/dbraw/zinc/38/77/21/536387721.db2.gz AEMJEPAWTZLRGG-KRWDZBQOSA-N 0 0 341.415 1.618 10 0 EDAERN COC(=O)[C@@H](c1ccccc1C)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000248642853 536458256 /nfs/dbraw/zinc/45/82/56/536458256.db2.gz ZLBNPMPKZIBQEJ-HUUCEWRRSA-N 0 0 330.388 1.709 10 0 EDAERN Cc1noc([C@H]2COCCN2C2CN(C(=O)c3ccoc3C)C2)n1 ZINC000888095019 591025624 /nfs/dbraw/zinc/02/56/24/591025624.db2.gz KYFQEIQXRCWCCH-CQSZACIVSA-N 0 0 332.360 1.177 10 0 EDAERN COc1cccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1F ZINC000888095582 591027028 /nfs/dbraw/zinc/02/70/28/591027028.db2.gz RSGFCQRGZSUIPP-GHJWDPDVSA-N 0 0 336.363 1.390 10 0 EDAERN CCn1nc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)n1 ZINC000888098174 591027860 /nfs/dbraw/zinc/02/78/60/591027860.db2.gz AWWRXKCXIJRGCL-LRDDRELGSA-N 0 0 330.392 1.492 10 0 EDAERN CCOC(=O)c1sc2ncnc(N3CCOC[C@H]3CO)c2c1C ZINC000895936261 591308435 /nfs/dbraw/zinc/30/84/35/591308435.db2.gz SAFJBNXLIJWRJS-SNVBAGLBSA-N 0 0 337.401 1.374 10 0 EDAERN C[C@H](NC(=O)c1cn(C)nc1[C@@H]1CCOC1)c1cc2n(n1)CCCC2 ZINC000898394477 591340186 /nfs/dbraw/zinc/34/01/86/591340186.db2.gz GISIPAPYJYPFAM-QWHCGFSZSA-N 0 0 343.431 1.948 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899078355 591674673 /nfs/dbraw/zinc/67/46/73/591674673.db2.gz NOHJJJUSPWAQDR-GXTWGEPZSA-N 0 0 327.388 1.791 10 0 EDAERN CC(C(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2C)C1)=C1CCCC1 ZINC000857818371 595625486 /nfs/dbraw/zinc/62/54/86/595625486.db2.gz WOGLORSKEBXNGZ-CVEARBPZSA-N 0 0 330.432 1.646 10 0 EDAERN CC(C)OCCCOC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115738052 595667643 /nfs/dbraw/zinc/66/76/43/595667643.db2.gz WPSLUWJXZNAVGF-GDBMZVCRSA-N 0 0 337.420 1.688 10 0 EDAERN C[C@@H]1CC(=O)N(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000113924800 595906533 /nfs/dbraw/zinc/90/65/33/595906533.db2.gz FXELSMJRLWKAJC-OAHLLOKOSA-N 0 0 333.480 1.582 10 0 EDAERN Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNc3ncc4c(n3)CCCC4)C2)n[nH]1 ZINC000856773326 596079037 /nfs/dbraw/zinc/07/90/37/596079037.db2.gz DKDMOJLCXYWXQC-GZBFAFLISA-N 0 0 328.420 1.749 10 0 EDAERN CN(C(=O)C1CC1)c1ccccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112657368 596204389 /nfs/dbraw/zinc/20/43/89/596204389.db2.gz DCINTOXYCSHMFJ-CYBMUJFWSA-N 0 0 339.399 1.396 10 0 EDAERN CCc1noc([C@@H](C)N2CCN(CN3C[C@@H](CC)CC3=O)CC2)n1 ZINC000119313927 596511325 /nfs/dbraw/zinc/51/13/25/596511325.db2.gz HBCWLCMZXGAPQO-KGLIPLIRSA-N 0 0 335.452 1.527 10 0 EDAERN CCc1ncnc(N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1F ZINC000864312237 596830498 /nfs/dbraw/zinc/83/04/98/596830498.db2.gz GWHCONCCAAVOPG-JTQLQIEISA-N 0 0 332.383 1.734 10 0 EDAERN CN(CCS(C)(=O)=O)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120965476 596837021 /nfs/dbraw/zinc/83/70/21/596837021.db2.gz BQYOVXXJQSFCEJ-CYBMUJFWSA-N 0 0 330.837 1.809 10 0 EDAERN C[C@@H](CNC(=O)c1cccnc1Br)N1CCOCC1 ZINC000126364632 597446165 /nfs/dbraw/zinc/44/61/65/597446165.db2.gz AFCUADRNWPYYFJ-JTQLQIEISA-N 0 0 328.210 1.295 10 0 EDAERN CCN1C(=O)CN(CNC2(c3noc(C(C)C)n3)CCCC2)C1=O ZINC000132171456 597802338 /nfs/dbraw/zinc/80/23/38/597802338.db2.gz HWEQKOQJZMIBRH-UHFFFAOYSA-N 0 0 335.408 1.794 10 0 EDAERN O=C(C1=CCCCO1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000174958275 697647516 /nfs/dbraw/zinc/64/75/16/697647516.db2.gz GNOLBPZRGFHPNK-MRXNPFEDSA-N 0 0 346.427 1.265 10 0 EDAERN CC(C)N(C)C(=O)[C@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175188701 697686513 /nfs/dbraw/zinc/68/65/13/697686513.db2.gz OTAHDJRXZORCOC-FUHWJXTLSA-N 0 0 333.476 1.593 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC000184477835 703296035 /nfs/dbraw/zinc/29/60/35/703296035.db2.gz VWKDRSUEOCQUGB-ZDUSSCGKSA-N 0 0 347.415 1.992 10 0 EDAERN CNc1ncc(C(=O)N2CCN(Cc3cnc(C)s3)CC2)s1 ZINC000154820521 704119098 /nfs/dbraw/zinc/11/90/98/704119098.db2.gz AXVIMJLHFKAODN-UHFFFAOYSA-N 0 0 337.474 1.908 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCCC2(C)OCCO2)[C@H]1c1ccccc1 ZINC000185655597 704728802 /nfs/dbraw/zinc/72/88/02/704728802.db2.gz DWCXJLHULYYRGJ-NVXWUHKLSA-N 0 0 346.427 1.865 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCc1ccnn1C)C(C)C ZINC000185835049 705469424 /nfs/dbraw/zinc/46/94/24/705469424.db2.gz ZDGGLYSIRZVAOQ-KRWDZBQOSA-N 0 0 342.443 1.842 10 0 EDAERN Nc1cc(Br)ccc1NS(=O)(=O)C1CCOCC1 ZINC000050199097 214049938 /nfs/dbraw/zinc/04/99/38/214049938.db2.gz JSDOXLFFXNTYOY-UHFFFAOYSA-N 0 0 335.223 1.952 10 0 EDAERN Nc1ccc(Cl)cc1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050350891 214053314 /nfs/dbraw/zinc/05/33/14/214053314.db2.gz REPGFHFZFAZUGA-UHFFFAOYSA-N 0 0 338.838 1.241 10 0 EDAERN C[C@@H](CC(N)=S)NS(=O)(=O)c1cncc(Br)c1 ZINC000050390833 214056153 /nfs/dbraw/zinc/05/61/53/214056153.db2.gz HALVHJLXDJKNEM-LURJTMIESA-N 0 0 338.252 1.187 10 0 EDAERN C[C@H](NS(=O)(=O)c1cc(N)cc(Cl)c1F)c1nncn1C ZINC000050416873 214056943 /nfs/dbraw/zinc/05/69/43/214056943.db2.gz DUNJVAWTYDYWRA-LURJTMIESA-N 0 0 333.776 1.229 10 0 EDAERN Nc1ncc(Br)cc1S(=O)(=O)NCC1CCCC1 ZINC000050653430 214064642 /nfs/dbraw/zinc/06/46/42/214064642.db2.gz NACJWHBLAGEJOM-UHFFFAOYSA-N 0 0 334.239 1.895 10 0 EDAERN Nc1ccc(C(=O)Nc2ccccc2I)nn1 ZINC000050700680 214066680 /nfs/dbraw/zinc/06/66/80/214066680.db2.gz MJGCMRDFVOVOAB-UHFFFAOYSA-N 0 0 340.124 1.916 10 0 EDAERN CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000050764336 214069567 /nfs/dbraw/zinc/06/95/67/214069567.db2.gz MNROBOFOYOULCM-KGLIPLIRSA-N 0 0 349.431 1.553 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)NC[C@@H]1COCCO1 ZINC000050772698 214069826 /nfs/dbraw/zinc/06/98/26/214069826.db2.gz XDSNIQMOMZRGDC-SNVBAGLBSA-N 0 0 344.209 1.421 10 0 EDAERN CCNC(=O)[C@@H](C)NC(=O)c1cc(Br)cnc1NCC ZINC000050791028 214071065 /nfs/dbraw/zinc/07/10/65/214071065.db2.gz OUYZEDRJDIGYSQ-MRVPVSSYSA-N 0 0 343.225 1.530 10 0 EDAERN C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCO1 ZINC000052430946 214128926 /nfs/dbraw/zinc/12/89/26/214128926.db2.gz KUPXVUFPMAGEKW-QPUJVOFHSA-N 0 0 332.809 1.285 10 0 EDAERN CS(=O)(=O)Cc1noc(-c2ccc(Br)cc2N)n1 ZINC000052788483 214145463 /nfs/dbraw/zinc/14/54/63/214145463.db2.gz JXHDPASOXGLVIU-UHFFFAOYSA-N 0 0 332.179 1.626 10 0 EDAERN O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@H]1CCCO ZINC000052763502 214142910 /nfs/dbraw/zinc/14/29/10/214142910.db2.gz YWXWGTSDPZUGEC-VIFPVBQESA-N 0 0 349.865 1.975 10 0 EDAERN NC(=S)CCNS(=O)(=O)c1sccc1Br ZINC000054154200 214220943 /nfs/dbraw/zinc/22/09/43/214220943.db2.gz NXTSXKWGRJLPFA-UHFFFAOYSA-N 0 0 329.266 1.465 10 0 EDAERN C[C@H](C(=O)N1CCc2sccc2C1)n1nnc2ccccc2c1=O ZINC000054914525 214260140 /nfs/dbraw/zinc/26/01/40/214260140.db2.gz MFKWTVDAZJWXQF-LLVKDONJSA-N 0 0 340.408 1.999 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C3(c4cccc(F)c4)CC3)CCO2)[nH]1 ZINC000173514057 230958358 /nfs/dbraw/zinc/95/83/58/230958358.db2.gz CAJLCDZAKOAHBR-AWEZNQCLSA-N 0 0 330.363 1.884 10 0 EDAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173694593 231008115 /nfs/dbraw/zinc/00/81/15/231008115.db2.gz LRZBWBZDLMJECV-LBPRGKRZSA-N 0 0 338.371 1.562 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)Cc3cccc(F)c3)CCO2)[nH]1 ZINC000173737120 231019451 /nfs/dbraw/zinc/01/94/51/231019451.db2.gz KMRPWVBDJVYNDM-CYBMUJFWSA-N 0 0 340.380 1.156 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000173745760 231020948 /nfs/dbraw/zinc/02/09/48/231020948.db2.gz PTGJENPVXJFQKB-AWEZNQCLSA-N 0 0 337.449 1.395 10 0 EDAERN C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@@H]1N1CCOCC1 ZINC000173842611 231048709 /nfs/dbraw/zinc/04/87/09/231048709.db2.gz NFHILZZAFCAPJS-PBHICJAKSA-N 0 0 341.415 1.060 10 0 EDAERN C[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1N1CCOCC1 ZINC000173864753 231055308 /nfs/dbraw/zinc/05/53/08/231055308.db2.gz MGDNIJIVYNQKGE-GDBMZVCRSA-N 0 0 343.431 1.004 10 0 EDAERN CCn1cc(NC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000174034552 231103744 /nfs/dbraw/zinc/10/37/44/231103744.db2.gz ZITHQLVWUPKWHG-CYBMUJFWSA-N 0 0 345.407 1.262 10 0 EDAERN CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(C)on1 ZINC000056650462 214382704 /nfs/dbraw/zinc/38/27/04/214382704.db2.gz WAOWFKIOOHNXET-CYBMUJFWSA-N 0 0 337.401 1.472 10 0 EDAERN COc1c2c(cc3c1C(=O)O[C@@H]1[C@@H](O)C=C4CCN(C)[C@H]4[C@H]31)OCO2 ZINC000056871270 214393181 /nfs/dbraw/zinc/39/31/81/214393181.db2.gz OLGJGNBIBXKMJN-OBCWZRDOSA-N 0 0 345.351 1.052 10 0 in-vitro EDAERN O=C(NCc1ccc(CO)c(F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000174519367 231229451 /nfs/dbraw/zinc/22/94/51/231229451.db2.gz HTDHZKVARSSAKC-AWEZNQCLSA-N 0 0 333.367 1.456 10 0 EDAERN C[C@H](NC(=O)c1nccnc1C(N)=O)c1cccc(Br)c1 ZINC000174566965 231243927 /nfs/dbraw/zinc/24/39/27/231243927.db2.gz HMBWBYSSCMMZSE-QMMMGPOBSA-N 0 0 349.188 1.829 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)c3ccc(NC=O)cc3)CC2)nn1 ZINC000174648994 231269231 /nfs/dbraw/zinc/26/92/31/231269231.db2.gz KBIPTQJOVAGHCL-UHFFFAOYSA-N 0 0 339.399 1.706 10 0 EDAERN CCc1ccccc1S(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000186981488 529605795 /nfs/dbraw/zinc/60/57/95/529605795.db2.gz XYRRLVBCHDBZKX-MRXNPFEDSA-N 0 0 349.456 1.844 10 0 EDAERN CCn1nc(C)c(Br)c1CN1CCN2C(=O)CC[C@H]2C1 ZINC000168738891 529599722 /nfs/dbraw/zinc/59/97/22/529599722.db2.gz OEBXUSGDIBSTEY-NSHDSACASA-N 0 0 341.253 1.781 10 0 EDAERN CN(C(=O)c1nnc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000049686339 214026902 /nfs/dbraw/zinc/02/69/02/214026902.db2.gz YKFSEYLODRWHQJ-NSHDSACASA-N 0 0 339.348 1.135 10 0 EDAERN Cc1cc2ccc(CCC(=O)N3CCN(C=O)CC3)cc2[nH]c1=O ZINC000049681262 214026926 /nfs/dbraw/zinc/02/69/26/214026926.db2.gz OEHRHBFBZQYGAI-UHFFFAOYSA-N 0 0 327.384 1.070 10 0 EDAERN Cc1cc2cc(CCC(=O)N3CCN(C=O)CC3)ccc2[nH]c1=O ZINC000049681460 214026378 /nfs/dbraw/zinc/02/63/78/214026378.db2.gz GDEUICICPCQGRC-UHFFFAOYSA-N 0 0 327.384 1.070 10 0 EDAERN Cc1nc2cc(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc2o1 ZINC000049682475 214025925 /nfs/dbraw/zinc/02/59/25/214025925.db2.gz VPJXVKSWPWHYJS-ZDUSSCGKSA-N 0 0 336.413 1.714 10 0 EDAERN CCOC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@@H]1c1ccc(OC)cc1 ZINC000058948540 214610558 /nfs/dbraw/zinc/61/05/58/214610558.db2.gz XRFCBWOYLBNUDD-CYBMUJFWSA-N 0 0 332.356 1.302 10 0 EDAERN COC(=O)/C=C/C(=O)Nc1ccc(I)cc1 ZINC000059465658 214619717 /nfs/dbraw/zinc/61/97/17/214619717.db2.gz ZAAOPLVXIBWWOM-VOTSOKGWSA-N 0 0 331.109 1.959 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3cccc(OC)c23)CC1 ZINC000181217198 529698175 /nfs/dbraw/zinc/69/81/75/529698175.db2.gz KQUCTRFQMLDYRE-HNNXBMFYSA-N 0 0 345.443 1.634 10 0 EDAERN COc1cc(OC)cc([C@@H]([NH3+])[C@H](C(=O)[O-])C(=O)OC(C)(C)C)c1 ZINC000098087820 219082416 /nfs/dbraw/zinc/08/24/16/219082416.db2.gz AYOJGZHDDFPSCT-CHWSQXEVSA-N 0 0 325.361 1.746 10 0 EDAERN Cc1nnsc1C(=O)N1CC(c2nc(-c3ccncc3)no2)C1 ZINC000049481849 214011789 /nfs/dbraw/zinc/01/17/89/214011789.db2.gz RFVCGNMDNIGFNN-UHFFFAOYSA-N 0 0 328.357 1.531 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CCc1ccncc1 ZINC000153109480 529750283 /nfs/dbraw/zinc/75/02/83/529750283.db2.gz DTGXDKGGEPDWIA-CQSZACIVSA-N 0 0 328.420 1.955 10 0 EDAERN CCc1ncc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000131599832 529757780 /nfs/dbraw/zinc/75/77/80/529757780.db2.gz RRPFRDTTWRVJCF-UHFFFAOYSA-N 0 0 342.403 1.117 10 0 EDAERN CCc1nnc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC000062186285 214703907 /nfs/dbraw/zinc/70/39/07/214703907.db2.gz HVZARTCVTNXXCI-UHFFFAOYSA-N 0 0 336.417 1.451 10 0 EDAERN CCNS(=O)(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000062224073 214706434 /nfs/dbraw/zinc/70/64/34/214706434.db2.gz BLMCPBTUTHWQPU-UHFFFAOYSA-N 0 0 333.841 1.438 10 0 EDAERN CN1CCO[C@@H](CS(=O)(=O)c2cc(Br)ccc2N)C1 ZINC000167148173 529784451 /nfs/dbraw/zinc/78/44/51/529784451.db2.gz RLFHNFZRDIMURC-SNVBAGLBSA-N 0 0 349.250 1.136 10 0 EDAERN CN(C)c1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)n1 ZINC000153328003 529791431 /nfs/dbraw/zinc/79/14/31/529791431.db2.gz WOYYAZSYASRIAJ-OAHLLOKOSA-N 0 0 341.415 1.043 10 0 EDAERN O=S(=O)(CCNS(=O)(=O)C1CCCC1)Nc1ccccc1 ZINC000062313377 214709155 /nfs/dbraw/zinc/70/91/55/214709155.db2.gz WMTFAEIHLCREIB-UHFFFAOYSA-N 0 0 332.447 1.290 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173695990 529795338 /nfs/dbraw/zinc/79/53/38/529795338.db2.gz JELNUZJQEAQKBR-CYBMUJFWSA-N 0 0 342.403 1.146 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000126117218 222656509 /nfs/dbraw/zinc/65/65/09/222656509.db2.gz WFHMKSQKTYBPDT-ZIAGYGMSSA-N 0 0 337.424 1.287 10 0 EDAERN O=S(=O)(Cc1ncc(-c2cccc(Cl)c2)o1)C[C@H](O)CO ZINC000177671240 231953553 /nfs/dbraw/zinc/95/35/53/231953553.db2.gz BMWRLAMKVCYMPG-LLVKDONJSA-N 0 0 331.777 1.263 10 0 EDAERN C[C@@H]1CN(Cc2cnc(N)s2)CC[C@H]1NS(=O)(=O)C1CC1 ZINC000725271325 539402636 /nfs/dbraw/zinc/40/26/36/539402636.db2.gz CKKLWXXYYKUMGC-BXKDBHETSA-N 0 0 330.479 1.018 10 0 EDAERN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000132423179 530021006 /nfs/dbraw/zinc/02/10/06/530021006.db2.gz FMLFBNVTZDJDEP-HNNXBMFYSA-N 0 0 343.431 1.549 10 0 EDAERN Cc1noc(CCNC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1 ZINC000101605209 219144565 /nfs/dbraw/zinc/14/45/65/219144565.db2.gz IURHPCBUGCFDNL-SNVBAGLBSA-N 0 0 332.360 1.752 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@@](C)(c3cc(F)cc(F)c3)C2=O)n1C ZINC000178221958 232111154 /nfs/dbraw/zinc/11/11/54/232111154.db2.gz WRYGATYGAXJLIY-INIZCTEOSA-N 0 0 349.341 1.623 10 0 EDAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178476205 232185727 /nfs/dbraw/zinc/18/57/27/232185727.db2.gz FRIDTZYCIWNMQI-AUUYWEPGSA-N 0 0 344.411 1.714 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccs1 ZINC000178694009 232381390 /nfs/dbraw/zinc/38/13/90/232381390.db2.gz KWWZFJZVFKMPGY-QWRGUYRKSA-N 0 0 331.463 1.390 10 0 EDAERN CCN1C(=O)C[C@H](Nc2ccccc2I)C1=O ZINC000102655152 219219213 /nfs/dbraw/zinc/21/92/13/219219213.db2.gz UHMGAIOAVBFHEF-JTQLQIEISA-N 0 0 344.152 1.851 10 0 EDAERN C[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)C[C@H]1N1CCOCC1 ZINC000246183502 539601399 /nfs/dbraw/zinc/60/13/99/539601399.db2.gz ULRKEZHONWWFFL-QGPMSJSTSA-N 0 0 329.444 1.688 10 0 EDAERN CCCS(=O)(=O)N1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000042748452 213530337 /nfs/dbraw/zinc/53/03/37/213530337.db2.gz MWPMBEDNYIXHBF-UHFFFAOYSA-N 0 0 344.408 1.332 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C[C@@H](C)O1 ZINC000068367383 215301925 /nfs/dbraw/zinc/30/19/25/215301925.db2.gz BUMUXUQAJQIWDG-UPJWGTAASA-N 0 0 328.478 1.960 10 0 EDAERN O=C(NCCc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)OCO2 ZINC000040819539 213390396 /nfs/dbraw/zinc/39/03/96/213390396.db2.gz RJIJRVCOIOSISU-UHFFFAOYSA-N 0 0 337.335 1.624 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(N)=O)ccc2C)o1 ZINC000069122060 215360342 /nfs/dbraw/zinc/36/03/42/215360342.db2.gz NPDOLHDWCZLUFF-LLVKDONJSA-N 0 0 329.356 1.811 10 0 EDAERN O=S1(=O)CCC[C@@H](Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000069136186 215363323 /nfs/dbraw/zinc/36/33/23/215363323.db2.gz PEXBGUNZQTVTRB-SECBINFHSA-N 0 0 327.797 1.305 10 0 EDAERN COCCS(=O)(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000040655506 213365369 /nfs/dbraw/zinc/36/53/69/213365369.db2.gz QNPGUDSJRYABGV-OAHLLOKOSA-N 0 0 330.425 1.528 10 0 EDAERN Cn1ccnc1CCNS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000040638610 213362507 /nfs/dbraw/zinc/36/25/07/213362507.db2.gz KFFAOJLBJOENRL-UHFFFAOYSA-N 0 0 332.788 1.316 10 0 EDAERN O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180975752 234049709 /nfs/dbraw/zinc/04/97/09/234049709.db2.gz QOSIDMNFMAAHRL-NSHDSACASA-N 0 0 342.371 1.657 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000180970036 234048033 /nfs/dbraw/zinc/04/80/33/234048033.db2.gz RBGGJXYPWGZYKH-LBPRGKRZSA-N 0 0 341.462 1.452 10 0 EDAERN O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000180970920 234048706 /nfs/dbraw/zinc/04/87/06/234048706.db2.gz RPZXSWLUDWOYID-LLVKDONJSA-N 0 0 342.371 1.657 10 0 EDAERN Cn1cc([C@@H]2[C@H](C(=O)Nc3ncccc3O)CCC(=O)N2C)cn1 ZINC000181001355 234058537 /nfs/dbraw/zinc/05/85/37/234058537.db2.gz AUWKSKYNCBOHRU-BXUZGUMPSA-N 0 0 329.360 1.069 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccnn2Cc2ccccn2)c1 ZINC000181145284 234095024 /nfs/dbraw/zinc/09/50/24/234095024.db2.gz RJFGUYWWRDFGSX-UHFFFAOYSA-N 0 0 325.376 1.653 10 0 EDAERN Cc1noc(C)c1CCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181568366 234235592 /nfs/dbraw/zinc/23/55/92/234235592.db2.gz MWSOIGZNHKCYDS-ZDUSSCGKSA-N 0 0 346.435 1.863 10 0 EDAERN CN1CCO[C@H]2CCN(C(=O)c3cccc4c3OCC(=O)N4)C[C@@H]21 ZINC000328904090 283028364 /nfs/dbraw/zinc/02/83/64/283028364.db2.gz IUKNLAAWNZXILJ-KBPBESRZSA-N 0 0 331.372 1.212 10 0 EDAERN Cn1c(-c2nc(C(=O)NC(C)(CO)CO)cs2)cc2ccccc21 ZINC000038910158 213230155 /nfs/dbraw/zinc/23/01/55/213230155.db2.gz QVTLIDRPZODKPC-UHFFFAOYSA-N 0 0 345.424 1.775 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1c2ccccc2NC1=O ZINC000177688493 540105579 /nfs/dbraw/zinc/10/55/79/540105579.db2.gz NCYREQCDXVJUEG-JSGCOSHPSA-N 0 0 325.372 1.664 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1ccccc1)[C@H]1CCCO1 ZINC000179970489 540119693 /nfs/dbraw/zinc/11/96/93/540119693.db2.gz XVXDZAOZUTTWPW-TZMCWYRMSA-N 0 0 328.372 1.495 10 0 EDAERN O=C(Nc1ccnn1-c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179403539 540117699 /nfs/dbraw/zinc/11/76/99/540117699.db2.gz GMIHTRLKRWWEKK-UKRRQHHQSA-N 0 0 342.399 1.478 10 0 EDAERN CNC(=O)[C@H](NC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1)C(C)C ZINC000183030955 540135490 /nfs/dbraw/zinc/13/54/90/540135490.db2.gz ZKCMJQPNUWQTCZ-HUUCEWRRSA-N 0 0 337.395 1.759 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000190815892 540171850 /nfs/dbraw/zinc/17/18/50/540171850.db2.gz VIIOMBAWFPMTPI-HNNXBMFYSA-N 0 0 329.404 1.633 10 0 EDAERN Cn1nc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1OC(F)F ZINC000184105666 235307686 /nfs/dbraw/zinc/30/76/86/235307686.db2.gz DBGBEPNNWVZJLS-JTQLQIEISA-N 0 0 340.334 1.165 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNc2ncnc3onc(C)c32)ncn1 ZINC000193394142 540182164 /nfs/dbraw/zinc/18/21/64/540182164.db2.gz BTOXCOTUFTXWNJ-NSHDSACASA-N 0 0 340.391 1.839 10 0 EDAERN C[C@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)N1CCOCC1 ZINC000184287940 235356875 /nfs/dbraw/zinc/35/68/75/235356875.db2.gz GDYHWJGIZXFQIM-MRXNPFEDSA-N 0 0 347.459 1.400 10 0 EDAERN CNS(=O)(=O)c1ccc(-n2cc(Br)cn2)c(N)c1 ZINC000038053969 213198735 /nfs/dbraw/zinc/19/87/35/213198735.db2.gz MUOWNVUAWSCPKF-UHFFFAOYSA-N 0 0 331.195 1.125 10 0 EDAERN CCCCc1noc(CN2CCN([C@H](C)c3nc(C)no3)CC2)n1 ZINC000105864447 219566453 /nfs/dbraw/zinc/56/64/53/219566453.db2.gz IXEKGOHHLMBFEE-GFCCVEGCSA-N 0 0 334.424 1.982 10 0 EDAERN CCCOc1ncccc1CNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000068364857 138193597 /nfs/dbraw/zinc/19/35/97/138193597.db2.gz DQYCXISCLLXEBT-OAHLLOKOSA-N 0 0 334.420 1.681 10 0 EDAERN CCOC(=O)CCCN1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000105882413 219576642 /nfs/dbraw/zinc/57/66/42/219576642.db2.gz HIQDCAQBPKHEDX-UHFFFAOYSA-N 0 0 346.435 1.137 10 0 EDAERN CC(=O)N[C@@H]1CCCN(CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000071952942 138207033 /nfs/dbraw/zinc/20/70/33/138207033.db2.gz IYYMPQRPJCJCKE-QGZVFWFLSA-N 0 0 346.475 1.230 10 0 EDAERN CN1C[C@H](NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CCC1=O ZINC000074367204 138232104 /nfs/dbraw/zinc/23/21/04/138232104.db2.gz GUBNBBLRWFSXMB-IKGGRYGDSA-N 0 0 345.443 1.905 10 0 EDAERN COc1ccc(Cl)cc1S(=O)(=O)N1CCn2c(C)nnc2C1 ZINC000074816032 138239562 /nfs/dbraw/zinc/23/95/62/138239562.db2.gz WZVCELGGOMEFNX-UHFFFAOYSA-N 0 0 342.808 1.453 10 0 EDAERN Cn1c2ccc(S(=O)(=O)N[C@H]3COc4ccccc43)cc2oc1=O ZINC000074913336 138239789 /nfs/dbraw/zinc/23/97/89/138239789.db2.gz LGYNVKYLFQHHGD-LBPRGKRZSA-N 0 0 346.364 1.544 10 0 EDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1ccc(F)cc1 ZINC000105889008 219579885 /nfs/dbraw/zinc/57/98/85/219579885.db2.gz ZRTZVAIUMFUPDW-INIZCTEOSA-N 0 0 332.379 1.039 10 0 EDAERN O=C(c1ccccc1F)N1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000082358137 138268094 /nfs/dbraw/zinc/26/80/94/138268094.db2.gz CZTQOXDQDMSYNH-UHFFFAOYSA-N 0 0 326.335 1.454 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCCNC(=O)C(C)(C)C ZINC000088198054 138272126 /nfs/dbraw/zinc/27/21/26/138272126.db2.gz AQMZDMFYHRHNEF-GFCCVEGCSA-N 0 0 335.452 1.734 10 0 EDAERN C[C@@H](NC(=O)N1CCC(CC(=O)N2CCCC2)CC1)[C@H]1CCCO1 ZINC000079485701 138261780 /nfs/dbraw/zinc/26/17/80/138261780.db2.gz GFCYBSWDAJUZRM-GDBMZVCRSA-N 0 0 337.464 1.988 10 0 EDAERN COC(=O)c1ccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000081163566 138265598 /nfs/dbraw/zinc/26/55/98/138265598.db2.gz GUIIVJOGSXZHOJ-AWEZNQCLSA-N 0 0 343.387 1.707 10 0 EDAERN NNc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)cc[nH+]1 ZINC000038008939 213189032 /nfs/dbraw/zinc/18/90/32/213189032.db2.gz PPOWJWCTBUMTRI-UHFFFAOYSA-N 0 0 343.206 1.931 10 0 EDAERN CNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1Cl ZINC000105278988 138301205 /nfs/dbraw/zinc/30/12/05/138301205.db2.gz QQHDCFUFIUIEDP-LLVKDONJSA-N 0 0 340.811 1.152 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cc(OC)ccc1OC)CC2 ZINC000114870333 138310792 /nfs/dbraw/zinc/31/07/92/138310792.db2.gz OZBDXHHCKBAIOI-CYBMUJFWSA-N 0 0 344.415 1.531 10 0 EDAERN O=C(Nc1cccc(-c2cnco2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130660709 138344052 /nfs/dbraw/zinc/34/40/52/138344052.db2.gz APQDNQNSNJZBRZ-UKRRQHHQSA-N 0 0 343.383 1.947 10 0 EDAERN Nc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](CO)C1 ZINC000037929813 213173684 /nfs/dbraw/zinc/17/36/84/213173684.db2.gz DUWGXWSKWYCWEH-SECBINFHSA-N 0 0 349.250 1.424 10 0 EDAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000131895009 138367525 /nfs/dbraw/zinc/36/75/25/138367525.db2.gz AXEXDGAJAOJOMW-ZWNOBZJWSA-N 0 0 330.436 1.976 10 0 EDAERN CCS(=O)(=O)NCCCN1CCO[C@H](c2nc(C)cs2)C1 ZINC000132048290 138370820 /nfs/dbraw/zinc/37/08/20/138370820.db2.gz YOSUGSUZVGNPRC-LBPRGKRZSA-N 0 0 333.479 1.154 10 0 EDAERN C[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)[C@H]1CCCO1 ZINC000037555778 213157213 /nfs/dbraw/zinc/15/72/13/213157213.db2.gz JHHWNSVGSNERRA-VHSXEESVSA-N 0 0 329.809 1.834 10 0 EDAERN COC(=O)C[C@H](NC(=O)CCNC(=O)CC(C)C)c1ccccc1 ZINC000132529115 138378420 /nfs/dbraw/zinc/37/84/20/138378420.db2.gz JDRJALOHBSTMSB-HNNXBMFYSA-N 0 0 334.416 1.959 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1C=O)CC2 ZINC000136879012 138434642 /nfs/dbraw/zinc/43/46/42/138434642.db2.gz BCRFOEITYDBHFQ-AWEZNQCLSA-N 0 0 342.399 1.724 10 0 EDAERN O=C(NC1CN(C(=O)NCc2cc(-c3ccccc3)on2)C1)C1CC1 ZINC000186816506 236031005 /nfs/dbraw/zinc/03/10/05/236031005.db2.gz BWKKAQPSUYZIFY-UHFFFAOYSA-N 0 0 340.383 1.762 10 0 EDAERN CCS(=O)(=O)CCN(C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000128985132 223008884 /nfs/dbraw/zinc/00/88/84/223008884.db2.gz XGZMNELPOGJUIW-HNNXBMFYSA-N 0 0 349.880 1.584 10 0 EDAERN [NH3+]C1CC([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)C1 ZINC000036265911 213080566 /nfs/dbraw/zinc/08/05/66/213080566.db2.gz POEGTCVIGVXLKG-UHFFFAOYSA-N 0 0 341.177 1.495 10 0 EDAERN Cc1ccc(O[C@@H](C)CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187325833 236179332 /nfs/dbraw/zinc/17/93/32/236179332.db2.gz KCRUWHZGLCUPGP-ZDUSSCGKSA-N 0 0 331.416 1.682 10 0 EDAERN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccccc1Br ZINC000070508306 215698629 /nfs/dbraw/zinc/69/86/29/215698629.db2.gz NSTZMORHEXIKMV-UHFFFAOYSA-N 0 0 340.177 1.718 10 0 EDAERN CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(C)CC1 ZINC000036106906 213068236 /nfs/dbraw/zinc/06/82/36/213068236.db2.gz CWMLMSLSIPFQJE-INIZCTEOSA-N 0 0 335.423 1.744 10 0 EDAERN O=C(NC1CN(C[C@@H](O)COCc2ccccc2Cl)C1)C1CC1 ZINC000187980477 236368921 /nfs/dbraw/zinc/36/89/21/236368921.db2.gz YEGQOELLOWTALL-OAHLLOKOSA-N 0 0 338.835 1.428 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000127018015 138613590 /nfs/dbraw/zinc/61/35/90/138613590.db2.gz VOGYFQXTTZURPK-CQSZACIVSA-N 0 0 327.388 1.464 10 0 EDAERN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C[C@@H](O)C(C)C)C1 ZINC000159181915 138635478 /nfs/dbraw/zinc/63/54/78/138635478.db2.gz HLRXPYQLZYHZJM-VXGBXAGGSA-N 0 0 326.466 1.700 10 0 EDAERN CCOc1ncnc2sc(C(=O)N3CCN(C=O)CC3)c(C)c21 ZINC000071565818 215786996 /nfs/dbraw/zinc/78/69/96/215786996.db2.gz JVSJYAVSVJISER-UHFFFAOYSA-N 0 0 334.401 1.313 10 0 EDAERN COCc1nnc(NC(=O)Cn2ccc3ccccc3c2=O)s1 ZINC000071514356 215783083 /nfs/dbraw/zinc/78/30/83/215783083.db2.gz ZPKKNIHLZMRCNZ-UHFFFAOYSA-N 0 0 330.369 1.638 10 0 EDAERN O=C(Cn1c(=O)oc2cccnc21)Nc1nnc([C@H]2CCCO2)s1 ZINC000071527394 215784477 /nfs/dbraw/zinc/78/44/77/215784477.db2.gz HEFRXQUCSBSZCC-SECBINFHSA-N 0 0 347.356 1.331 10 0 EDAERN CCOCCO[C@H](C)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000175130312 138691955 /nfs/dbraw/zinc/69/19/55/138691955.db2.gz CYGDCPXDNAMUMU-GFCCVEGCSA-N 0 0 325.409 1.959 10 0 EDAERN COc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177634197 138732189 /nfs/dbraw/zinc/73/21/89/138732189.db2.gz ZUQAZXCJESKCRV-SECBINFHSA-N 0 0 349.778 1.010 10 0 EDAERN O=C(NCCCNc1cccc(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000181799849 138771812 /nfs/dbraw/zinc/77/18/12/138771812.db2.gz VSBYDFQCWKRHIP-AWEZNQCLSA-N 0 0 332.383 1.533 10 0 EDAERN Cc1ccccc1-n1[n-]c2cc(=O)n(CC[NH+](C)C)c(C)c2c1=O ZINC000072446146 216236617 /nfs/dbraw/zinc/23/66/17/216236617.db2.gz IQQWCIWEFPDKMU-UHFFFAOYSA-N 0 0 326.400 1.659 10 0 EDAERN CCN(C(=O)C[C@H]1COCCN1C(=O)c1nc[nH]n1)C1CCCCC1 ZINC000072456869 216242841 /nfs/dbraw/zinc/24/28/41/216242841.db2.gz CRXFJAAWOZTTMB-AWEZNQCLSA-N 0 0 349.435 1.217 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C(F)F)c1 ZINC000190334086 238397643 /nfs/dbraw/zinc/39/76/43/238397643.db2.gz QLZJUGGQKWCYLS-NSHDSACASA-N 0 0 326.299 1.727 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000186315117 138815673 /nfs/dbraw/zinc/81/56/73/138815673.db2.gz SHNKCMDKKDFTGK-UHFFFAOYSA-N 0 0 328.368 1.435 10 0 EDAERN Cn1ccc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3CO)c21 ZINC000190548535 238580581 /nfs/dbraw/zinc/58/05/81/238580581.db2.gz KBOYFOVZNUGRRS-UONOGXRCSA-N 0 0 329.400 1.784 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1Cl ZINC000187920936 138829924 /nfs/dbraw/zinc/82/99/24/138829924.db2.gz HRQZPJMXEHXSAL-UHFFFAOYSA-N 0 0 328.821 1.548 10 0 EDAERN CNC(=O)CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000022630066 212313532 /nfs/dbraw/zinc/31/35/32/212313532.db2.gz VNRFJULVDCQJBA-UHFFFAOYSA-N 0 0 330.457 1.674 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NCc2cccc(C)c2)C1 ZINC000189353725 138868906 /nfs/dbraw/zinc/86/89/06/138868906.db2.gz GKOHDBUOSLHSEE-JKSUJKDBSA-N 0 0 344.415 1.765 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1n[nH]c(-c2ccccc2F)n1 ZINC000109625600 219979918 /nfs/dbraw/zinc/97/99/18/219979918.db2.gz SAHYUGVLNFZQJX-SECBINFHSA-N 0 0 343.318 1.961 10 0 EDAERN O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nncs1 ZINC000020613383 212155030 /nfs/dbraw/zinc/15/50/30/212155030.db2.gz HQHPQNJIFPTICU-UHFFFAOYSA-N 0 0 331.806 1.745 10 0 EDAERN COC[C@@H](NC(=O)N1CCCNC(=O)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000191546316 138917161 /nfs/dbraw/zinc/91/71/61/138917161.db2.gz FOSRCGOWMODYNN-IINYFYTJSA-N 0 0 341.358 1.572 10 0 EDAERN O=C1NCCN1CCNc1cccc(I)c1 ZINC000020479344 212135832 /nfs/dbraw/zinc/13/58/32/212135832.db2.gz XTHXIJYRBBTYBG-UHFFFAOYSA-N 0 0 331.157 1.728 10 0 EDAERN COCCNC(=O)[C@H](C)Nc1ccccc1I ZINC000020359042 212122708 /nfs/dbraw/zinc/12/27/08/212122708.db2.gz DRXDQTZSPQDPMT-VIFPVBQESA-N 0 0 348.184 1.854 10 0 EDAERN O=C(CN[C@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 ZINC000020038676 212096425 /nfs/dbraw/zinc/09/64/25/212096425.db2.gz PCYLBDJQTQFGEF-NSHDSACASA-N 0 0 347.234 1.164 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000193057217 138959863 /nfs/dbraw/zinc/95/98/63/138959863.db2.gz IGJABNPFXYZGQZ-NSHDSACASA-N 0 0 348.794 1.437 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000195273697 139012087 /nfs/dbraw/zinc/01/20/87/139012087.db2.gz ZNHPRHCMWMHRGP-CQSZACIVSA-N 0 0 325.368 1.941 10 0 EDAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(N)ccc1Br ZINC000045624283 213745262 /nfs/dbraw/zinc/74/52/62/213745262.db2.gz FLPYZEYBJCDIOF-DTWKUNHWSA-N 0 0 340.221 1.757 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1n[nH]c3c1CCCC3)CC2 ZINC000195287766 139012567 /nfs/dbraw/zinc/01/25/67/139012567.db2.gz OTGNVXCSZSJQDS-NSHDSACASA-N 0 0 328.420 1.748 10 0 EDAERN COc1ccc(Br)cc1NC[C@H](O)CN1CCOCC1 ZINC000049566628 214020200 /nfs/dbraw/zinc/02/02/00/214020200.db2.gz GDCCGRSEOJKWNM-LBPRGKRZSA-N 0 0 345.237 1.563 10 0 EDAERN COC(=O)CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000049062763 213983076 /nfs/dbraw/zinc/98/30/76/213983076.db2.gz AWXDIDQRZSJWKY-UWVGGRQHSA-N 0 0 331.356 1.980 10 0 EDAERN O=C([C@@H]1CCC(=O)N1)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049430632 214006931 /nfs/dbraw/zinc/00/69/31/214006931.db2.gz UVAODFDOEBXJEP-ZDUSSCGKSA-N 0 0 345.424 1.945 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(C)o3)CC2)s1 ZINC000049704572 214027474 /nfs/dbraw/zinc/02/74/74/214027474.db2.gz OVGGPBDDAVTQGM-UHFFFAOYSA-N 0 0 342.446 1.254 10 0 EDAERN Cc1nnc(CN2CCN(S(=O)(=O)c3cccc(C)c3)CC2)o1 ZINC000049704578 214027712 /nfs/dbraw/zinc/02/77/12/214027712.db2.gz MIKXWSFINSHYKI-UHFFFAOYSA-N 0 0 336.417 1.193 10 0 EDAERN CN(C)C(=O)c1cccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111086522 220098446 /nfs/dbraw/zinc/09/84/46/220098446.db2.gz RYNWTEUGDSJJRZ-INIZCTEOSA-N 0 0 342.399 1.126 10 0 EDAERN O=C(c1cc(-c2cccnc2)on1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111088816 220098907 /nfs/dbraw/zinc/09/89/07/220098907.db2.gz GCLKMHUSOZRXFP-CQSZACIVSA-N 0 0 339.355 1.474 10 0 EDAERN CN(C)[C@H](C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000111080988 220097321 /nfs/dbraw/zinc/09/73/21/220097321.db2.gz AOQLQSCNFNVVGY-SJORKVTESA-N 0 0 328.416 1.413 10 0 EDAERN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083694 220097775 /nfs/dbraw/zinc/09/77/75/220097775.db2.gz LHWVYOOOVUVYDR-CZUORRHYSA-N 0 0 333.363 1.717 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000111211253 220109372 /nfs/dbraw/zinc/10/93/72/220109372.db2.gz FOZNYQYCVGVTIC-ZDUSSCGKSA-N 0 0 339.461 1.652 10 0 EDAERN O=C1[C@@H](N2CCC(Nc3cccnn3)CC2)CCN1CC(F)(F)F ZINC000111227420 220115396 /nfs/dbraw/zinc/11/53/96/220115396.db2.gz BPICNCMCXUPPFJ-LBPRGKRZSA-N 0 0 343.353 1.516 10 0 EDAERN COCCN(C)S(=O)(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000111338652 220140831 /nfs/dbraw/zinc/14/08/31/220140831.db2.gz UJGPKMABHQQXQY-OAHLLOKOSA-N 0 0 342.461 1.662 10 0 EDAERN CC(=O)Nc1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111713367 220184331 /nfs/dbraw/zinc/18/43/31/220184331.db2.gz NAQUOCAGRHXRIX-INIZCTEOSA-N 0 0 343.387 1.774 10 0 EDAERN COCc1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000112064471 220237731 /nfs/dbraw/zinc/23/77/31/220237731.db2.gz JVLYWUJZVBHDAO-QGZVFWFLSA-N 0 0 329.400 1.879 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCc3c[nH]nc3C)CCO2)c1 ZINC000112130407 220249582 /nfs/dbraw/zinc/24/95/82/220249582.db2.gz RLPMYDLBXVYMAP-INIZCTEOSA-N 0 0 346.435 1.266 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000246117415 139095561 /nfs/dbraw/zinc/09/55/61/139095561.db2.gz KVUIMUYVTFQTEZ-IPYPFGDCSA-N 0 0 334.468 1.841 10 0 EDAERN COC(=O)c1cc(F)ccc1CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246438072 139108486 /nfs/dbraw/zinc/10/84/86/139108486.db2.gz LUGPXKWDCNYPFD-SUMWQHHRSA-N 0 0 336.407 1.765 10 0 EDAERN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000246400397 139107144 /nfs/dbraw/zinc/10/71/44/139107144.db2.gz DBYKUWYBRVMEPV-HIFRSBDPSA-N 0 0 342.436 1.475 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnn2ccc(C)nc12 ZINC000246421431 139107782 /nfs/dbraw/zinc/10/77/82/139107782.db2.gz TURCPVFKBMJBOL-YUELXQCFSA-N 0 0 342.399 1.984 10 0 EDAERN CCCc1cc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n2ncnc2n1 ZINC000246525546 139111935 /nfs/dbraw/zinc/11/19/35/139111935.db2.gz OYBXIYXCFPTTFX-ZFWWWQNUSA-N 0 0 330.436 1.234 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000246815696 139122800 /nfs/dbraw/zinc/12/28/00/139122800.db2.gz DJCOEPSHERXUKG-QKPAOTATSA-N 0 0 325.453 1.305 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000246922313 139127145 /nfs/dbraw/zinc/12/71/45/139127145.db2.gz JCHXNZSWYLAYQV-GXTWGEPZSA-N 0 0 339.386 1.698 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CCO2)C1(CC)CC ZINC000246973332 139129275 /nfs/dbraw/zinc/12/92/75/139129275.db2.gz JGXOJMAXMRMXGP-SOUVJXGZSA-N 0 0 327.469 1.600 10 0 EDAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000247239950 139141923 /nfs/dbraw/zinc/14/19/23/139141923.db2.gz XUQABJGEYMTJRE-IAQYHMDHSA-N 0 0 347.394 1.330 10 0 EDAERN CCOCCN1CCN(CC(=O)N(CC(C)C)C2CC2)C[C@H]1C ZINC000247253797 139142636 /nfs/dbraw/zinc/14/26/36/139142636.db2.gz UDSYLJRYLFCYTC-MRXNPFEDSA-N 0 0 325.497 1.676 10 0 EDAERN CN1Cc2ccc(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3O)cc2C1 ZINC000247319080 139144796 /nfs/dbraw/zinc/14/47/96/139144796.db2.gz WSSSEMSRLWCIPR-MLGOLLRUSA-N 0 0 331.416 1.238 10 0 EDAERN C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000247666408 139153744 /nfs/dbraw/zinc/15/37/44/139153744.db2.gz YBMPDUGCCNMVQD-MDZRGWNJSA-N 0 0 341.459 1.981 10 0 EDAERN CCN1CCO[C@@H](C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000248170535 139159210 /nfs/dbraw/zinc/15/92/10/139159210.db2.gz UQYXZWXWUXHSGG-ZIAGYGMSSA-N 0 0 330.350 1.997 10 0 EDAERN C[C@@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000248407569 139162556 /nfs/dbraw/zinc/16/25/56/139162556.db2.gz DHSBKHHORUWFAY-HHXXYDBFSA-N 0 0 332.444 1.463 10 0 EDAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cccc1-c1ccccn1 ZINC000091810853 218069332 /nfs/dbraw/zinc/06/93/32/218069332.db2.gz GUQUNGDNEVPZDV-MRXNPFEDSA-N 0 0 325.368 1.383 10 0 EDAERN C[C@H](Sc1ccccc1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784795 218066246 /nfs/dbraw/zinc/06/62/46/218066246.db2.gz ONPWENVYCIPPLM-GXSJLCMTSA-N 0 0 328.821 1.533 10 0 EDAERN NC(=O)[C@H]1COCCN1CCC(=O)Nc1cccc2ccccc21 ZINC000092230276 218127515 /nfs/dbraw/zinc/12/75/15/218127515.db2.gz KLDDJZNKFHADGZ-MRXNPFEDSA-N 0 0 327.384 1.355 10 0 EDAERN NC(=O)[C@@H]1COCCN1CCCOc1cccc(C(F)(F)F)c1 ZINC000092421512 218139892 /nfs/dbraw/zinc/13/98/92/218139892.db2.gz TYHKYEDDAWEEMZ-ZDUSSCGKSA-N 0 0 332.322 1.660 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnnn1CC(F)(F)F ZINC000248839507 139177280 /nfs/dbraw/zinc/17/72/80/139177280.db2.gz PELDKZSWUQYFSK-MXWKQRLJSA-N 0 0 347.341 1.542 10 0 EDAERN Cc1nc(C[C@H]2CCCN(Cc3ccc(C(=O)N(C)C)[nH]3)C2)no1 ZINC000092813837 218172347 /nfs/dbraw/zinc/17/23/47/218172347.db2.gz VMWKIVWZUXQXKA-CYBMUJFWSA-N 0 0 331.420 1.863 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000249750624 139198061 /nfs/dbraw/zinc/19/80/61/139198061.db2.gz HBJFLSVXFNCBNP-HNNXBMFYSA-N 0 0 337.445 1.504 10 0 EDAERN O=C1OCc2ccc(S(=O)(=O)N3CCN4CCCC[C@H]4C3)cc21 ZINC000249755143 139198264 /nfs/dbraw/zinc/19/82/64/139198264.db2.gz KCJIZBDZHYVAJE-ZDUSSCGKSA-N 0 0 336.413 1.216 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@]34CCc3ccccc34)CCO2)[nH]1 ZINC000253549892 139206925 /nfs/dbraw/zinc/20/69/25/139206925.db2.gz MOMFOWAZKMWLGI-BXWFABGCSA-N 0 0 338.411 1.917 10 0 EDAERN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)on3)n2)cc1 ZINC000005388914 210454231 /nfs/dbraw/zinc/45/42/31/210454231.db2.gz JNTJMEIOEDVXHE-UHFFFAOYSA-N 0 0 340.339 1.854 10 0 EDAERN O=C(Cc1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112647796 220362320 /nfs/dbraw/zinc/36/23/20/220362320.db2.gz BNFBFXJTXZPGRZ-GFCCVEGCSA-N 0 0 335.205 1.714 10 0 EDAERN CC(=O)N[C@H](CC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc(C)cc1 ZINC000112651743 220363751 /nfs/dbraw/zinc/36/37/51/220363751.db2.gz YWDGTSCONBQUIU-HZPDHXFCSA-N 0 0 341.415 1.285 10 0 EDAERN Cc1c(C(=O)N[C@@H]2CCc3ncnn3C2)cnn1Cc1ccccc1 ZINC000112655123 220365295 /nfs/dbraw/zinc/36/52/95/220365295.db2.gz GEAGEYRUDDQDCS-OAHLLOKOSA-N 0 0 336.399 1.576 10 0 EDAERN O=C(CCc1ccc2c(c1)OCCO2)N[C@@H]1CCc2ncnn2C1 ZINC000112658217 220366602 /nfs/dbraw/zinc/36/66/02/220366602.db2.gz QGKHRKJKIGICME-CYBMUJFWSA-N 0 0 328.372 1.113 10 0 EDAERN O=C(Cc1csc(-c2ccccn2)n1)N[C@@H]1CCc2ncnn2C1 ZINC000112658393 220366610 /nfs/dbraw/zinc/36/66/10/220366610.db2.gz FPLPAXKFNOHAEF-LLVKDONJSA-N 0 0 340.412 1.470 10 0 EDAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112659367 220366821 /nfs/dbraw/zinc/36/68/21/220366821.db2.gz WIRAPFKNWAWIHO-GXFFZTMASA-N 0 0 347.806 1.181 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112660158 220367437 /nfs/dbraw/zinc/36/74/37/220367437.db2.gz VDJPHMNZUSRKBZ-ZDUSSCGKSA-N 0 0 328.372 1.381 10 0 EDAERN CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112662277 220368239 /nfs/dbraw/zinc/36/82/39/220368239.db2.gz ZCHOOLGSCOFRTE-OAHLLOKOSA-N 0 0 342.399 1.310 10 0 EDAERN CCCOc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112742573 220392598 /nfs/dbraw/zinc/39/25/98/220392598.db2.gz CYMBSWSHADXXOI-CQSZACIVSA-N 0 0 329.404 1.881 10 0 EDAERN CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113298866 220518504 /nfs/dbraw/zinc/51/85/04/220518504.db2.gz FMWPKHIBHYSIMR-CQSZACIVSA-N 0 0 334.445 1.770 10 0 EDAERN Cc1nccn1-c1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000153899757 224174228 /nfs/dbraw/zinc/17/42/28/224174228.db2.gz MFWDTKSSBWGIPC-HOTGVXAUSA-N 0 0 343.431 1.926 10 0 EDAERN CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116115795 220931545 /nfs/dbraw/zinc/93/15/45/220931545.db2.gz UNQUOBBKJJESDY-ZDUSSCGKSA-N 0 0 347.440 1.843 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2)C[C@@H]1C ZINC000117369205 221057747 /nfs/dbraw/zinc/05/77/47/221057747.db2.gz FZBRLGOODPWPEG-ZDUSSCGKSA-N 0 0 330.425 1.557 10 0 EDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2F)CCN1CCOC ZINC000117371864 221059323 /nfs/dbraw/zinc/05/93/23/221059323.db2.gz FUJWTANPWSJVHY-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN CCOCCN1CCN(C(=O)Cc2c(C)noc2Cl)C[C@@H]1C ZINC000117282539 221041164 /nfs/dbraw/zinc/04/11/64/221041164.db2.gz NAKMOLBEUMBNQH-NSHDSACASA-N 0 0 329.828 1.748 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@@H]1C ZINC000117277764 221041660 /nfs/dbraw/zinc/04/16/60/221041660.db2.gz FHSZCPIYMQZIBX-AWEZNQCLSA-N 0 0 348.447 1.038 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(OC)ccc2OC)C[C@H]1C ZINC000117281236 221041967 /nfs/dbraw/zinc/04/19/67/221041967.db2.gz IDJSRMUONCGRFT-CQSZACIVSA-N 0 0 336.432 1.887 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(CNC(C)=O)cc2)C[C@H]1C ZINC000117276563 221042286 /nfs/dbraw/zinc/04/22/86/221042286.db2.gz ZJGUWMVNZFSPKE-OAHLLOKOSA-N 0 0 347.459 1.506 10 0 EDAERN COCCN1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C[C@@H]1C ZINC000117295769 221047902 /nfs/dbraw/zinc/04/79/02/221047902.db2.gz YHRLQUQZZUKAAS-AWEZNQCLSA-N 0 0 328.416 1.869 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccccc2F)C[C@@H]1C ZINC000117368577 221057555 /nfs/dbraw/zinc/05/75/55/221057555.db2.gz CBSXDDDQBNMSQU-AWEZNQCLSA-N 0 0 344.452 1.698 10 0 EDAERN Cc1cnn(CCNC(=O)CCNC(=O)c2ccc(C)cc2O)c1 ZINC000117987188 221104328 /nfs/dbraw/zinc/10/43/28/221104328.db2.gz KDOCOYDEXDNSNW-UHFFFAOYSA-N 0 0 330.388 1.142 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 ZINC000117798800 221091154 /nfs/dbraw/zinc/09/11/54/221091154.db2.gz WZEVBQJQXCVLRU-RDJZCZTQSA-N 0 0 344.415 1.590 10 0 EDAERN CCc1ccc(N2C[C@H](C(=O)NCCn3cc(C)cn3)CC2=O)cc1 ZINC000117812672 221091635 /nfs/dbraw/zinc/09/16/35/221091635.db2.gz IWJFSFQPXUSSJW-MRXNPFEDSA-N 0 0 340.427 1.923 10 0 EDAERN COc1c(F)cc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1F ZINC000118133124 221128439 /nfs/dbraw/zinc/12/84/39/221128439.db2.gz MKCARCVOPDKXQH-UHFFFAOYSA-N 0 0 338.314 1.233 10 0 EDAERN O=C(CSCc1ccccn1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118669990 221166667 /nfs/dbraw/zinc/16/66/67/221166667.db2.gz HABVGADRFSQOQW-CQSZACIVSA-N 0 0 343.456 1.890 10 0 EDAERN CCc1nc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)cs1 ZINC000118671591 221168161 /nfs/dbraw/zinc/16/81/61/221168161.db2.gz IQRALFMKUILXIE-LBPRGKRZSA-N 0 0 331.445 1.823 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2nccn2C)cs1 ZINC000119213962 221268694 /nfs/dbraw/zinc/26/86/94/221268694.db2.gz IXXHPTVMROXKAF-SECBINFHSA-N 0 0 345.384 1.894 10 0 EDAERN O=C(Cc1c[nH]c2ncccc12)N1CCCN(c2cccnn2)CC1 ZINC000119300682 221288355 /nfs/dbraw/zinc/28/83/55/221288355.db2.gz NBUYOZRIWWASNH-UHFFFAOYSA-N 0 0 336.399 1.634 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000119281542 221284500 /nfs/dbraw/zinc/28/45/00/221284500.db2.gz YIWAKMKQSCMMEX-CQSZACIVSA-N 0 0 348.428 1.993 10 0 EDAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119476344 221329141 /nfs/dbraw/zinc/32/91/41/221329141.db2.gz ZEZBJDGZKNAGQJ-UHFFFAOYSA-N 0 0 341.415 1.820 10 0 EDAERN C[C@H](NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)c(Cl)c1 ZINC000119553367 221347164 /nfs/dbraw/zinc/34/71/64/221347164.db2.gz JPXPHFCKBFWPBR-IYYTYJHQSA-N 0 0 343.786 1.872 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119591069 221354839 /nfs/dbraw/zinc/35/48/39/221354839.db2.gz USXKUNPEXNHLQZ-SECBINFHSA-N 0 0 328.332 1.160 10 0 EDAERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cn1 ZINC000154967101 224334730 /nfs/dbraw/zinc/33/47/30/224334730.db2.gz QBXAOEMJZHMRQN-ZBFHGGJFSA-N 0 0 327.388 1.672 10 0 EDAERN Cc1noc([C@@H]2COC[C@@H]3CN(C(=O)Cc4ccsc4)C[C@@H]32)n1 ZINC000248057983 257667565 /nfs/dbraw/zinc/66/75/65/257667565.db2.gz ZACDMYGVSGTRHX-MELADBBJSA-N 0 0 333.413 1.871 10 0 EDAERN O=C1CC[C@@H]2[C@@H](CCN2S(=O)(=O)C2CC2)N1Cc1ccncc1 ZINC000248011082 257669362 /nfs/dbraw/zinc/66/93/62/257669362.db2.gz VTOOPZNPMDBQIL-HUUCEWRRSA-N 0 0 335.429 1.139 10 0 EDAERN Cc1nccc([C@@H]2C[C@H]3CCN(C(=O)c4ccnnc4)C[C@@H]3O2)n1 ZINC000247985741 257671326 /nfs/dbraw/zinc/67/13/26/257671326.db2.gz ZGRSMZPPKTWTAC-KCXAZCMYSA-N 0 0 325.372 1.567 10 0 EDAERN COc1cccc(-c2noc([C@@H](C)NC(=O)[C@@H]3CNC(=O)C3)n2)c1 ZINC000174645709 533378372 /nfs/dbraw/zinc/37/83/72/533378372.db2.gz SIWWEZVDYLNHJM-KOLCDFICSA-N 0 0 330.344 1.059 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(Br)ccc1N)[C@H](C)CO ZINC000166781563 533479564 /nfs/dbraw/zinc/47/95/64/533479564.db2.gz YISCEZMVMWLIIC-HTQZYQBOSA-N 0 0 337.239 1.327 10 0 EDAERN O=C([C@@H]1CC(=O)C[C@H]1C(=O)N1CCC12CCC2)N1CCC12CCC2 ZINC000333413846 304293971 /nfs/dbraw/zinc/29/39/71/304293971.db2.gz DQPZUHQMLLVCQF-HUUCEWRRSA-N 0 0 330.428 1.892 10 0 EDAERN CC[C@@H](C)NC(=O)C1CCN(c2cnc(N3CCOCC3)nc2)CC1 ZINC000065166571 132807564 /nfs/dbraw/zinc/80/75/64/132807564.db2.gz BJMYHAPQUQFCJA-CQSZACIVSA-N 0 0 347.463 1.444 10 0 EDAERN O=C(c1ncoc1C1CC1)N1CCC(c2ccnn2CCO)CC1 ZINC000328928193 140684154 /nfs/dbraw/zinc/68/41/54/140684154.db2.gz GJAZKUAULDDYNV-UHFFFAOYSA-N 0 0 330.388 1.761 10 0 EDAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC000329000898 140689362 /nfs/dbraw/zinc/68/93/62/140689362.db2.gz GUKUXGBYLQMTJH-GJZGRUSLSA-N 0 0 327.432 1.660 10 0 EDAERN O=C(c1cccc(CN2CCCC2=O)c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329730016 140756299 /nfs/dbraw/zinc/75/62/99/140756299.db2.gz GAVWCKGRWLJZLU-GVDBMIGSSA-N 0 0 328.412 1.652 10 0 EDAERN O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000329744074 140758376 /nfs/dbraw/zinc/75/83/76/140758376.db2.gz QMPFVGJPMMYKHL-DLBZAZTESA-N 0 0 349.475 1.101 10 0 EDAERN O=S(=O)(NCCc1csc(N2CCCC2)n1)NC1CCCC1 ZINC000330257777 140824312 /nfs/dbraw/zinc/82/43/12/140824312.db2.gz QXKHDOOWOPTZOK-UHFFFAOYSA-N 0 0 344.506 1.652 10 0 EDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)c1nnc(C)s1 ZINC000330323820 140833827 /nfs/dbraw/zinc/83/38/27/140833827.db2.gz TVENEWLXDIFWIV-GFCCVEGCSA-N 0 0 346.478 1.404 10 0 EDAERN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]12CCOC2 ZINC000333029016 141252667 /nfs/dbraw/zinc/25/26/67/141252667.db2.gz BUKLITACSLWHOP-QFBILLFUSA-N 0 0 346.427 1.459 10 0 EDAERN Cn1ccc(CN2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)n1 ZINC000333081455 141260536 /nfs/dbraw/zinc/26/05/36/141260536.db2.gz QNSHCZGAYYUQAA-SJORKVTESA-N 0 0 338.411 1.570 10 0 EDAERN CN(C)c1cnc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000333121030 141267301 /nfs/dbraw/zinc/26/73/01/141267301.db2.gz ZSXKZHPXHVDZSV-OLZOCXBDSA-N 0 0 331.420 1.064 10 0 EDAERN O=C(NCC1(CO)COC1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000333130651 141268907 /nfs/dbraw/zinc/26/89/07/141268907.db2.gz WSDDFMDDAQLREI-UHFFFAOYSA-N 0 0 339.819 1.513 10 0 EDAERN O=C(NCCc1cscn1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333227357 141284144 /nfs/dbraw/zinc/28/41/44/141284144.db2.gz GAJXXFFDMDFKKD-OLZOCXBDSA-N 0 0 336.461 1.776 10 0 EDAERN COCC1(S(=O)(=O)N2CCC[C@@H](Cc3nccn3C)C2)CC1 ZINC000333461836 141320967 /nfs/dbraw/zinc/32/09/67/141320967.db2.gz UUBXXWSWJVKTHY-ZDUSSCGKSA-N 0 0 327.450 1.183 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)nc2n1 ZINC000333555389 141336303 /nfs/dbraw/zinc/33/63/03/141336303.db2.gz QSAHOFCRQLEEPV-ZIAGYGMSSA-N 0 0 329.404 1.169 10 0 EDAERN COC[C@H](NC(=O)N1C[C@]2(CCCO2)[C@H]1C(C)C)[C@H]1CCCO1 ZINC000333696419 141360705 /nfs/dbraw/zinc/36/07/05/141360705.db2.gz BLVIIPTUIXPLJL-KLZNWCGWSA-N 0 0 326.437 1.779 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nccn1C(C)C ZINC000195519987 286068233 /nfs/dbraw/zinc/06/82/33/286068233.db2.gz ACRAOCJXMMBZCJ-CYBMUJFWSA-N 0 0 345.465 1.310 10 0 EDAERN C[C@@H](NC(=O)c1c(O)cccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000119536407 287353795 /nfs/dbraw/zinc/35/37/95/287353795.db2.gz OAYWACQOFROGCB-SECBINFHSA-N 0 0 338.360 1.670 10 0 EDAERN Nc1ccc(Br)c(NC(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000159267035 225183055 /nfs/dbraw/zinc/18/30/55/225183055.db2.gz MQRFGFWSUGIVJP-ZETCQYMHSA-N 0 0 333.207 1.405 10 0 EDAERN CS(=O)(=O)N1CCC[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000120099369 287358109 /nfs/dbraw/zinc/35/81/09/287358109.db2.gz SMVMEJJDHLOVKY-OUCUAENXSA-N 0 0 340.489 1.599 10 0 EDAERN Nc1ccc(=O)n(Cc2ccc(I)cc2)n1 ZINC000161145554 225558442 /nfs/dbraw/zinc/55/84/42/225558442.db2.gz WGCMMTDQNNWZIJ-UHFFFAOYSA-N 0 0 327.125 1.478 10 0 EDAERN C[C@H](NS(=O)(=O)C[C@H]1CCCCO1)c1nnc2n1CCCC2 ZINC000121703072 287373515 /nfs/dbraw/zinc/37/35/15/287373515.db2.gz WYNWRKSWZYFPHP-NWDGAFQWSA-N 0 0 328.438 1.164 10 0 EDAERN C[C@H](N[C@H]1CCCn2ncnc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000164635696 226089097 /nfs/dbraw/zinc/08/90/97/226089097.db2.gz LDJJJPAQARNOHF-WFASDCNBSA-N 0 0 349.460 1.714 10 0 EDAERN COCC(C)(C)NS(=O)(=O)c1ccc(C(N)=S)cc1Cl ZINC000167485384 226192053 /nfs/dbraw/zinc/19/20/53/226192053.db2.gz HHNMQJTVZADPOG-UHFFFAOYSA-N 0 0 336.866 1.678 10 0 EDAERN NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)NCC(F)(F)F)c1 ZINC000165090892 226110753 /nfs/dbraw/zinc/11/07/53/226110753.db2.gz NXNCVRKAYLFKBL-UHFFFAOYSA-N 0 0 334.678 1.419 10 0 EDAERN COCC[NH2+]C[C@H]1CCCCN1c1nc[n-]c(=O)c1Br ZINC000165368104 226121710 /nfs/dbraw/zinc/12/17/10/226121710.db2.gz KLCGQDDCAUIYON-SNVBAGLBSA-N 0 0 345.241 1.127 10 0 EDAERN Nc1cc(I)c(F)cc1N1CC[C@H](CO)C1 ZINC000165705126 226134297 /nfs/dbraw/zinc/13/42/97/226134297.db2.gz SFKRNTCAYLMSLS-ZETCQYMHSA-N 0 0 336.148 1.831 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)CC[C@@H]1O ZINC000165982921 226143474 /nfs/dbraw/zinc/14/34/74/226143474.db2.gz OKJSHQQLHRFNCG-APPZFPTMSA-N 0 0 339.244 1.967 10 0 EDAERN O=c1c(I)c(Cl)ncn1C[C@H]1CCOC1 ZINC000166349162 226155354 /nfs/dbraw/zinc/15/53/54/226155354.db2.gz PDYZDTFTEZLYMM-ZCFIWIBFSA-N 0 0 340.548 1.538 10 0 EDAERN C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000166660721 226164086 /nfs/dbraw/zinc/16/40/86/226164086.db2.gz PQZVIBIWRJUENA-RDDDGLTNSA-N 0 0 327.178 1.941 10 0 EDAERN Cc1nn(C)c(Cl)c1Cn1cc(N)cc(Br)c1=O ZINC000166827708 226171242 /nfs/dbraw/zinc/17/12/42/226171242.db2.gz HPLKJFMRUXMZII-UHFFFAOYSA-N 0 0 331.601 1.937 10 0 EDAERN COCC(C)(C)NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C ZINC000167991673 226206566 /nfs/dbraw/zinc/20/65/66/226206566.db2.gz IOMSXCUVFHFBAE-UHFFFAOYSA-N 0 0 334.825 1.451 10 0 EDAERN C[C@H]1C(=O)N[C@@H](C2CC2)C(=O)N1Cc1ccc(Br)cn1 ZINC000168898916 226225968 /nfs/dbraw/zinc/22/59/68/226225968.db2.gz FYPGZKGHSXEKQH-UFBFGSQYSA-N 0 0 338.205 1.470 10 0 EDAERN O=S1(=O)CC[C@H]([C@H](CO)Cc2cncc(Br)c2)C1 ZINC000168953465 226228706 /nfs/dbraw/zinc/22/87/06/226228706.db2.gz IGYWZHDXCZFVSB-QWRGUYRKSA-N 0 0 334.235 1.430 10 0 EDAERN Cc1cc(Br)c(NS(=O)(=O)c2cnn(C)c2)cc1N ZINC000169142074 226233688 /nfs/dbraw/zinc/23/36/88/226233688.db2.gz XZPOJASZKZKDCK-UHFFFAOYSA-N 0 0 345.222 1.874 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCN2CCOCC2(C)C)cn1 ZINC000171371296 227044636 /nfs/dbraw/zinc/04/46/36/227044636.db2.gz NFEUJYWMFJFUEJ-HNNXBMFYSA-N 0 0 335.452 1.377 10 0 EDAERN Cc1ccc(C(=O)NCCC(=O)N2CCO[C@H]3CCCC[C@H]32)c(O)c1 ZINC000171400512 227062495 /nfs/dbraw/zinc/06/24/95/227062495.db2.gz RUUKCDHVPYCVOS-WBVHZDCISA-N 0 0 346.427 1.991 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000121257050 221799854 /nfs/dbraw/zinc/79/98/54/221799854.db2.gz MWVCVXKAJZALPV-ZDUSSCGKSA-N 0 0 337.807 1.714 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C2(O)CCCCC2)CC1 ZINC000128199883 287453628 /nfs/dbraw/zinc/45/36/28/287453628.db2.gz SDOASICWRZGRBX-UHFFFAOYSA-N 0 0 334.464 1.376 10 0 EDAERN Cc1noc(C)c1CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122073065 222008984 /nfs/dbraw/zinc/00/89/84/222008984.db2.gz SLFFACFVXIVXJZ-CQSZACIVSA-N 0 0 329.404 1.751 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000122459764 222092683 /nfs/dbraw/zinc/09/26/83/222092683.db2.gz OFSABQXRYZYQHI-UHFFFAOYSA-N 0 0 348.428 1.936 10 0 EDAERN C[C@@H](NC(=O)NCCNc1nccc(C(F)(F)F)n1)[C@@H]1CCCO1 ZINC000122816726 222163800 /nfs/dbraw/zinc/16/38/00/222163800.db2.gz XVYNRDHGHZNNTL-ZJUUUORDSA-N 0 0 347.341 1.774 10 0 EDAERN CCN(CC)C(=O)CCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000122840504 222170323 /nfs/dbraw/zinc/17/03/23/222170323.db2.gz UNEHIBJMLJZWJW-CYBMUJFWSA-N 0 0 335.452 1.481 10 0 EDAERN O=C(CCN1CCCS1(=O)=O)N1CCCC[C@H]1c1nccs1 ZINC000172214686 227544879 /nfs/dbraw/zinc/54/48/79/227544879.db2.gz GMJJSDBNSYIGIF-LBPRGKRZSA-N 0 0 343.474 1.622 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCC1(CO)CCOCC1)C(C)C ZINC000151729863 287600577 /nfs/dbraw/zinc/60/05/77/287600577.db2.gz XTQPNNKIGCYZBO-OAHLLOKOSA-N 0 0 328.453 1.079 10 0 EDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)C ZINC000178927590 267598728 /nfs/dbraw/zinc/59/87/28/267598728.db2.gz JEMIBDBJMYVJLC-GFCCVEGCSA-N 0 0 336.816 1.836 10 0 EDAERN O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H]1CNC(=O)C1 ZINC000194788287 267864919 /nfs/dbraw/zinc/86/49/19/267864919.db2.gz HMEMUBFBGFXVKE-GFCCVEGCSA-N 0 0 330.306 1.518 10 0 EDAERN N#Cc1ccc(CCC(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 ZINC000299745209 268060007 /nfs/dbraw/zinc/06/00/07/268060007.db2.gz WRHLECNGIGGFBQ-CHWSQXEVSA-N 0 0 339.317 1.613 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCN(c2ccccc2Cl)CC1 ZINC000013490654 272908907 /nfs/dbraw/zinc/90/89/07/272908907.db2.gz DMQCGBZLCNEABF-AWEZNQCLSA-N 0 0 337.851 1.445 10 0 EDAERN COc1ccccc1N1CC[C@@H](N2CC[C@H](N3CCOCC3)C2)C1=O ZINC000151727880 274160008 /nfs/dbraw/zinc/16/00/08/274160008.db2.gz BYBFORQPUDYVIS-DOTOQJQBSA-N 0 0 345.443 1.207 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000246076406 287726140 /nfs/dbraw/zinc/72/61/40/287726140.db2.gz DHUXOXULMPMGHE-HIMNYSJASA-N 0 0 327.454 1.007 10 0 EDAERN CC1=C(C(=O)N[C@H]2COc3ccccc32)[C@@H](C)n2ncnc2N1C ZINC000192196057 275903836 /nfs/dbraw/zinc/90/38/36/275903836.db2.gz NWZOPCHXVUYTGQ-YPMHNXCESA-N 0 0 325.372 1.813 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCCSc2ccccc2)CC1 ZINC000184738610 276642912 /nfs/dbraw/zinc/64/29/12/276642912.db2.gz GLMCBKVIPCMKNG-HNNXBMFYSA-N 0 0 337.489 1.877 10 0 EDAERN COC(=O)c1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1 ZINC000105810054 277154525 /nfs/dbraw/zinc/15/45/25/277154525.db2.gz OBACMHNUHQBKKP-UHFFFAOYSA-N 0 0 340.383 1.616 10 0 EDAERN C[C@@]1(C(=O)N2CC[C@H](N3CCOCC3)C2)Cc2ccccc2C(=O)O1 ZINC000172750791 279152216 /nfs/dbraw/zinc/15/22/16/279152216.db2.gz MLXXWBAPVDFIBM-KXBFYZLASA-N 0 0 344.411 1.091 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cnc(Cl)cn1 ZINC000192670438 279980122 /nfs/dbraw/zinc/98/01/22/279980122.db2.gz BLHJXCVPSTXVKO-JTQLQIEISA-N 0 0 337.788 1.779 10 0 EDAERN CC(C)[C@@H]1N(C(=O)CCC(=O)N2CCC(O)CC2)C[C@]12CCCO2 ZINC000329322859 280041318 /nfs/dbraw/zinc/04/13/18/280041318.db2.gz HERVDFNXALFFOL-ZWKOTPCHSA-N 0 0 338.448 1.166 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)c3cnn4ccncc34)CC2)nn1 ZINC000329291378 280865708 /nfs/dbraw/zinc/86/57/08/280865708.db2.gz QUJIGVNRZAZELJ-UHFFFAOYSA-N 0 0 337.387 1.180 10 0 EDAERN CC[C@H](O)CN1CCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)CC1 ZINC000173460046 280999947 /nfs/dbraw/zinc/99/99/47/280999947.db2.gz KQMTVUWAEFEQGX-ZBFHGGJFSA-N 0 0 347.459 1.605 10 0 EDAERN Cc1cccc(S(=O)(=O)CCCN2CCO[C@@H](CN(C)C)C2)c1 ZINC000155203172 281250797 /nfs/dbraw/zinc/25/07/97/281250797.db2.gz XUCPGYHDGFHLHG-INIZCTEOSA-N 0 0 340.489 1.421 10 0 EDAERN Cc1nc2c(cnn2C)c(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000179532404 282017872 /nfs/dbraw/zinc/01/78/72/282017872.db2.gz IOXHXRXLKTVGGB-DOMZBBRYSA-N 0 0 340.431 1.651 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCC2(C)OCCCO2)[C@@H]1c1ccccc1 ZINC000191100403 289802889 /nfs/dbraw/zinc/80/28/89/289802889.db2.gz KARUUMHGFMEUGW-RDJZCZTQSA-N 0 0 346.427 1.865 10 0 EDAERN Nc1nccn2c(I)nc(Br)c12 ZINC000089195583 295372311 /nfs/dbraw/zinc/37/23/11/295372311.db2.gz MLJPPDRNQDMCDE-UHFFFAOYSA-N 0 0 338.934 1.679 10 0 EDAERN CS(=O)(=O)CC1(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000151147028 295486994 /nfs/dbraw/zinc/48/69/94/295486994.db2.gz SSVJUMHAPKYZLF-XJKSGUPXSA-N 0 0 344.477 1.148 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000046083830 441078872 /nfs/dbraw/zinc/07/88/72/441078872.db2.gz GQGGNTQRVZNNSC-UONOGXRCSA-N 0 0 341.411 1.965 10 0 EDAERN CN(Cc1c(Cl)nc2sccn12)C[C@@H](O)Cn1cccn1 ZINC000069950460 441094592 /nfs/dbraw/zinc/09/45/92/441094592.db2.gz LBSBOUNAKHIAEK-SNVBAGLBSA-N 0 0 325.825 1.739 10 0 EDAERN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CC(n2cccn2)C1 ZINC000057800425 441135735 /nfs/dbraw/zinc/13/57/35/441135735.db2.gz BKYFZRDJEUWOQR-GFCCVEGCSA-N 0 0 328.347 1.459 10 0 EDAERN CC(C)C(=O)N1CCCN([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097945156 441147697 /nfs/dbraw/zinc/14/76/97/441147697.db2.gz FJZFWXYBDJYVFT-GOSISDBHSA-N 0 0 343.471 1.978 10 0 EDAERN COCCCCN(Cc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104797281 441211397 /nfs/dbraw/zinc/21/13/97/441211397.db2.gz LBDAKTFESBQSAM-GOSISDBHSA-N 0 0 349.475 1.955 10 0 EDAERN CCC(CC)NC(=O)[C@@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864382 441295289 /nfs/dbraw/zinc/29/52/89/441295289.db2.gz AWYZPUAODLFUIR-CHWSQXEVSA-N 0 0 337.468 1.750 10 0 EDAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC(Nc3cccnn3)CC2)C1 ZINC000105804870 441275027 /nfs/dbraw/zinc/27/50/27/441275027.db2.gz LVTLZDLTLWPZAV-HUUCEWRRSA-N 0 0 331.464 1.857 10 0 EDAERN O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NC1CCCC1 ZINC000105820388 441279413 /nfs/dbraw/zinc/27/94/13/441279413.db2.gz XYHATYLINZMLBH-GOSISDBHSA-N 0 0 331.460 1.396 10 0 EDAERN COCCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000105833875 441286691 /nfs/dbraw/zinc/28/66/91/441286691.db2.gz BMSSQRUUFCIRRC-GVDBMIGSSA-N 0 0 325.497 1.676 10 0 EDAERN CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2cccs2)cc1 ZINC000048881774 441335767 /nfs/dbraw/zinc/33/57/67/441335767.db2.gz VBQCKXNCELEHJP-SNVBAGLBSA-N 0 0 331.397 1.924 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC000106396753 441338083 /nfs/dbraw/zinc/33/80/83/441338083.db2.gz DWLHBVIFHOZRHW-NVXWUHKLSA-N 0 0 331.416 1.095 10 0 EDAERN C[C@H](CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)N1CCOCC1 ZINC000073652615 441340051 /nfs/dbraw/zinc/34/00/51/441340051.db2.gz MQQSFKCESOVQOH-VXGBXAGGSA-N 0 0 339.440 1.448 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(Cc2cn3cccnc3n2)CC1 ZINC000105865798 441296874 /nfs/dbraw/zinc/29/68/74/441296874.db2.gz CJHWJEHBDAZCGS-UHFFFAOYSA-N 0 0 339.447 1.397 10 0 EDAERN CCNC(=O)CCCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105868168 441298570 /nfs/dbraw/zinc/29/85/70/441298570.db2.gz ZXKTVYJNPSVEKG-UHFFFAOYSA-N 0 0 333.436 1.210 10 0 EDAERN CCOc1ccnc(N2CCN(Cc3nnc(C(C)C)n3C)CC2)n1 ZINC000105868650 441299099 /nfs/dbraw/zinc/29/90/99/441299099.db2.gz LWOOQPORPSKDRL-UHFFFAOYSA-N 0 0 345.451 1.449 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)c3ccccc3O)CC2)cn1 ZINC000105875214 441304072 /nfs/dbraw/zinc/30/40/72/441304072.db2.gz HDXALUVQIRFHIL-UHFFFAOYSA-N 0 0 328.416 1.957 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3sccc3C)CCO2)c1 ZINC000105892696 441310386 /nfs/dbraw/zinc/31/03/86/441310386.db2.gz VYAHLOXHGAYKQR-HNNXBMFYSA-N 0 0 348.472 1.579 10 0 EDAERN Cc1nc(-c2cnccn2)nc2c1CCC(=O)N2C[C@@H]1CCCO1 ZINC000065289347 441415428 /nfs/dbraw/zinc/41/54/28/441415428.db2.gz KCWQQSXTXCAUIU-LBPRGKRZSA-N 0 0 325.372 1.700 10 0 EDAERN CSc1nc(C)c(CCC(=O)N[C@@H](C)[C@H]2CCCO2)c(=O)[nH]1 ZINC000027886432 441417263 /nfs/dbraw/zinc/41/72/63/441417263.db2.gz WIWCHTRXMTUNBX-CMPLNLGQSA-N 0 0 325.434 1.829 10 0 EDAERN CCO[C@@H](CCNC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(C)C ZINC000074293658 441417866 /nfs/dbraw/zinc/41/78/66/441417866.db2.gz ZINAPPUDADUPEX-HOTGVXAUSA-N 0 0 335.448 1.833 10 0 EDAERN O=C([O-])[C@]12C[NH2+]C[C@H]1CN(Cc1ccc3cccc(Cl)c3n1)C2 ZINC000065395918 441424415 /nfs/dbraw/zinc/42/44/15/441424415.db2.gz DZRQHGWGETWAQM-SJCJKPOMSA-N 0 0 331.803 1.994 10 0 EDAERN O=C(c1ccc(F)cc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 ZINC000085436097 441440158 /nfs/dbraw/zinc/44/01/58/441440158.db2.gz XPTWYERBDQVMOJ-MRXNPFEDSA-N 0 0 347.390 1.567 10 0 EDAERN CNC(=O)c1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000109005746 441484466 /nfs/dbraw/zinc/48/44/66/441484466.db2.gz LPUHSBRZVAWRMR-QGZVFWFLSA-N 0 0 328.416 1.452 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCC2(Sc3ccccc3)CC2)C1 ZINC000109360400 441497751 /nfs/dbraw/zinc/49/77/51/441497751.db2.gz ZCUCMDGVPUEMBH-AWEZNQCLSA-N 0 0 335.473 1.941 10 0 EDAERN CCc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)n[nH]1 ZINC000086170445 441459829 /nfs/dbraw/zinc/45/98/29/441459829.db2.gz JNYWXIIPXKYJOA-WDEREUQCSA-N 0 0 336.417 1.407 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3cccc(O)c3)C2=O)n(C)n1 ZINC000075412575 441525073 /nfs/dbraw/zinc/52/50/73/441525073.db2.gz NYGRKHLIVVQXFQ-OAHLLOKOSA-N 0 0 342.399 1.288 10 0 EDAERN CC(C)(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000075237872 441512124 /nfs/dbraw/zinc/51/21/24/441512124.db2.gz NHGKJADPTFJVEO-AWEZNQCLSA-N 0 0 346.452 1.976 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000032313875 441551943 /nfs/dbraw/zinc/55/19/43/441551943.db2.gz YNBAGMMRXYRCSC-GDBMZVCRSA-N 0 0 341.411 1.913 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCc2csc(=O)[nH]2)C1 ZINC000089507398 441556523 /nfs/dbraw/zinc/55/65/23/441556523.db2.gz OEPFJILADPLFDN-UWVGGRQHSA-N 0 0 341.433 1.746 10 0 EDAERN CCc1csc([C@H]2CCCN(C(=O)CS(=O)(=O)CC)C2)n1 ZINC000113203104 441587345 /nfs/dbraw/zinc/58/73/45/441587345.db2.gz XMYBSRZEBCLXIA-NSHDSACASA-N 0 0 330.475 1.846 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H]2C[C@H]2C)cccc1C(=O)N1CCCC1 ZINC000076098041 441597032 /nfs/dbraw/zinc/59/70/32/441597032.db2.gz RKLVTYCUQUSSQI-ABAIWWIYSA-N 0 0 329.400 1.694 10 0 EDAERN COCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000076098277 441597166 /nfs/dbraw/zinc/59/71/66/441597166.db2.gz SJAIRMFGMQULCN-JOYOIKCWSA-N 0 0 326.780 1.828 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000076099889 441598504 /nfs/dbraw/zinc/59/85/04/441598504.db2.gz XSMNFGMGOWBOAP-MFKMUULPSA-N 0 0 337.807 1.640 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000113298339 441600077 /nfs/dbraw/zinc/60/00/77/441600077.db2.gz WYNRBNAJJBQCBA-SNVBAGLBSA-N 0 0 326.809 1.533 10 0 EDAERN CCOC(=O)[C@H]1N(S(=O)(=O)c2ccc(C)cc2)CC[C@]1(C)O ZINC000034741741 441600510 /nfs/dbraw/zinc/60/05/10/441600510.db2.gz DUJJLVJTVQPWIJ-HIFRSBDPSA-N 0 0 327.402 1.072 10 0 EDAERN COC(=O)[C@@H]1C[C@H](Oc2ccc(CP(=O)(OC)OC)cc2)CN1 ZINC000038422108 441615938 /nfs/dbraw/zinc/61/59/38/441615938.db2.gz HSLJOIXACPXIOE-KBPBESRZSA-N 0 0 343.316 1.955 10 0 EDAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113896283 441626399 /nfs/dbraw/zinc/62/63/99/441626399.db2.gz XHCWXRNUNJIPJG-INIZCTEOSA-N 0 0 344.390 1.961 10 0 EDAERN NC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000113893494 441626740 /nfs/dbraw/zinc/62/67/40/441626740.db2.gz OPKCCAMTPSXGNB-HNNXBMFYSA-N 0 0 327.388 1.945 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)CCOc1ccc(OC)cc1 ZINC000090989237 441646737 /nfs/dbraw/zinc/64/67/37/441646737.db2.gz SHCUHAUPSKIUHQ-UHFFFAOYSA-N 0 0 339.417 1.609 10 0 EDAERN CC(C)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000041600797 441663009 /nfs/dbraw/zinc/66/30/09/441663009.db2.gz RSZKIAUQTXAXIA-AWEZNQCLSA-N 0 0 333.432 1.585 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C)nc2C)ncn1 ZINC000173410898 441740269 /nfs/dbraw/zinc/74/02/69/441740269.db2.gz FTEXKHCOQUHYFF-AWEZNQCLSA-N 0 0 340.431 1.929 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@H](C)C2CC2)ncn1 ZINC000173426923 441746666 /nfs/dbraw/zinc/74/66/66/441746666.db2.gz URGVIPHJXMPFCO-TZMCWYRMSA-N 0 0 332.452 1.927 10 0 EDAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCCN2C(=O)CNC2=O)o1 ZINC000173495266 441769439 /nfs/dbraw/zinc/76/94/39/441769439.db2.gz LFDMZYOVHUUHAP-ZDUSSCGKSA-N 0 0 348.403 1.630 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnc(Cl)c2)ncn1 ZINC000173439493 441751020 /nfs/dbraw/zinc/75/10/20/441751020.db2.gz RYHWDIIJLQLFES-LBPRGKRZSA-N 0 0 346.822 1.966 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)CC[C@@H]2CCCCO2)ncn1 ZINC000173442114 441751580 /nfs/dbraw/zinc/75/15/80/441751580.db2.gz LXFUYEZQQBQHBY-GJZGRUSLSA-N 0 0 347.463 1.953 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000077138927 441721932 /nfs/dbraw/zinc/72/19/32/441721932.db2.gz VZSMPXNXPAAKPH-GHMZBOCLSA-N 0 0 344.408 1.325 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NCc3ccc(C)cc3)CCO2)[nH]1 ZINC000173355260 441722287 /nfs/dbraw/zinc/72/22/87/441722287.db2.gz FGQQFVRJEXBWCI-BBRMVZONSA-N 0 0 343.431 1.500 10 0 EDAERN CCN(C(=O)[C@H](C)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000173357406 441724456 /nfs/dbraw/zinc/72/44/56/441724456.db2.gz KRIWFEMGWNYXMM-BBRMVZONSA-N 0 0 343.431 1.928 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3cn(Cc4cccs4)nn3)C2)cn1 ZINC000173378085 441728790 /nfs/dbraw/zinc/72/87/90/441728790.db2.gz HDFBUBHOONAWRO-GFCCVEGCSA-N 0 0 342.428 1.751 10 0 EDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3cccc(C)c3C)CCO2)[nH]1 ZINC000173661920 441817868 /nfs/dbraw/zinc/81/78/68/441817868.db2.gz JOCAVNRIXISOFD-HNNXBMFYSA-N 0 0 329.404 1.742 10 0 EDAERN C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1nnc2n1CCCC2 ZINC000121771349 441777491 /nfs/dbraw/zinc/77/74/91/441777491.db2.gz LVXQHULNNULSMA-SECBINFHSA-N 0 0 342.371 1.932 10 0 EDAERN CCn1c(S[C@H]2CCN(C3CC3)C2=O)nnc1-c1cnccn1 ZINC000158994529 441778776 /nfs/dbraw/zinc/77/87/76/441778776.db2.gz VYUCSPXYRAXJCU-LBPRGKRZSA-N 0 0 330.417 1.610 10 0 EDAERN CN(C(=O)NC[C@H]1CN(C)CCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000115822509 441780576 /nfs/dbraw/zinc/78/05/76/441780576.db2.gz OABIUBXEJWHWRG-MSOLQXFVSA-N 0 0 346.475 1.627 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)Cc3ccco3)C2=O)n(C)n1 ZINC000173556087 441789924 /nfs/dbraw/zinc/78/99/24/441789924.db2.gz AHCHDKXIYHFHPS-CQSZACIVSA-N 0 0 345.403 1.659 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)CCNC(=O)c3ccsc3)C2)cn1 ZINC000116114247 441793790 /nfs/dbraw/zinc/79/37/90/441793790.db2.gz PAUIZYBMFBSBBW-GFCCVEGCSA-N 0 0 332.429 1.618 10 0 EDAERN CC[C@@H](C)CS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173899911 441858914 /nfs/dbraw/zinc/85/89/14/441858914.db2.gz HARZPAMBSGSDKR-CHWSQXEVSA-N 0 0 341.481 1.453 10 0 EDAERN COCCN1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000117296213 441869585 /nfs/dbraw/zinc/86/95/85/441869585.db2.gz KRSIALCYYUJJLG-AWEZNQCLSA-N 0 0 343.427 1.250 10 0 EDAERN COc1cccc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000173748341 441833039 /nfs/dbraw/zinc/83/30/39/441833039.db2.gz PHNGKUAXHUWBBH-OAHLLOKOSA-N 0 0 329.404 1.876 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116587499 441833116 /nfs/dbraw/zinc/83/31/16/441833116.db2.gz HWUOQHXIRBNLES-CYBMUJFWSA-N 0 0 341.415 1.441 10 0 EDAERN CC(C)Oc1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000173778343 441838963 /nfs/dbraw/zinc/83/89/63/441838963.db2.gz NMZNMZKTYVFEDC-INIZCTEOSA-N 0 0 348.447 1.485 10 0 EDAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)COCc1ccccc1 ZINC000173792730 441841559 /nfs/dbraw/zinc/84/15/59/441841559.db2.gz GIXVSBUGWANWHC-LBPRGKRZSA-N 0 0 337.445 1.921 10 0 EDAERN CC(=O)Nc1ccc(C)c(NC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173800236 441841717 /nfs/dbraw/zinc/84/17/17/441841717.db2.gz ZOOBQTIYBQCBDX-MRXNPFEDSA-N 0 0 346.431 1.892 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)n1 ZINC000116782407 441843615 /nfs/dbraw/zinc/84/36/15/441843615.db2.gz ZZDRVGFTXOBRMI-INIZCTEOSA-N 0 0 344.463 1.727 10 0 EDAERN COCCN1CCN(Cc2nc([C@@H](C)OCC(C)C)no2)C[C@H]1C ZINC000173885115 441855952 /nfs/dbraw/zinc/85/59/52/441855952.db2.gz NDIOPSISCFPHBU-HUUCEWRRSA-N 0 0 340.468 1.956 10 0 EDAERN CCOC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000148102651 441912755 /nfs/dbraw/zinc/91/27/55/441912755.db2.gz KUBOWCZIFOSSHE-UHFFFAOYSA-N 0 0 336.392 1.710 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000119899269 441972285 /nfs/dbraw/zinc/97/22/85/441972285.db2.gz ZARJCAXSWSZARI-ZIAGYGMSSA-N 0 0 348.447 1.993 10 0 EDAERN O=C(CCCNC(=O)c1cccnc1)N1CCC[C@@H](n2cncn2)C1 ZINC000125024296 441976663 /nfs/dbraw/zinc/97/66/63/441976663.db2.gz RSUWLEGWEYSDKM-OAHLLOKOSA-N 0 0 342.403 1.047 10 0 EDAERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C12CCCC2 ZINC000150810602 441954569 /nfs/dbraw/zinc/95/45/69/441954569.db2.gz BFGJJUAWSNTQNL-GJZGRUSLSA-N 0 0 331.416 1.990 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000124858148 441961080 /nfs/dbraw/zinc/96/10/80/441961080.db2.gz RZKUVGALJZVISK-CXAGYDPISA-N 0 0 345.443 1.774 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000124901609 441964982 /nfs/dbraw/zinc/96/49/82/441964982.db2.gz WYDVHLFZQBVBBD-GJZGRUSLSA-N 0 0 348.403 1.319 10 0 EDAERN Cc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cnn1C ZINC000120051014 442000882 /nfs/dbraw/zinc/00/08/82/442000882.db2.gz LKPZEMBPNRJERH-WBVHZDCISA-N 0 0 344.390 1.703 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(=O)OC)nc1 ZINC000151171383 442019027 /nfs/dbraw/zinc/01/90/27/442019027.db2.gz UGLCTFMTHWXXRO-LLVKDONJSA-N 0 0 329.360 1.287 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CSCN1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161893153 442041905 /nfs/dbraw/zinc/04/19/05/442041905.db2.gz BWNMAQUCWSSHME-KWQFWETISA-N 0 0 332.422 1.069 10 0 EDAERN COC(=O)N[C@@H](C(=O)Nc1nc(-c2nccn2C)cs1)C(C)C ZINC000125786141 442049255 /nfs/dbraw/zinc/04/92/55/442049255.db2.gz YBRBISPSEHZSGY-SNVBAGLBSA-N 0 0 337.405 1.863 10 0 EDAERN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCC(Cn3cccn3)CC1)CS2 ZINC000126278267 442095085 /nfs/dbraw/zinc/09/50/85/442095085.db2.gz RNGDQEATIPWQFW-RHSMWYFYSA-N 0 0 348.472 1.576 10 0 EDAERN COC[C@@H](NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000175491505 442073270 /nfs/dbraw/zinc/07/32/70/442073270.db2.gz AWSFNVNQELZMJO-HUUCEWRRSA-N 0 0 345.403 1.584 10 0 EDAERN C[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@H]1N1CCOCC1 ZINC000175628101 442095572 /nfs/dbraw/zinc/09/55/72/442095572.db2.gz OCIJUGRHSGZCMO-RHSMWYFYSA-N 0 0 335.423 1.730 10 0 EDAERN CCC1(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)CCC1 ZINC000120463552 442077085 /nfs/dbraw/zinc/07/70/85/442077085.db2.gz CQNNPEJDTAJGCF-LBPRGKRZSA-N 0 0 349.456 1.810 10 0 EDAERN C[C@H](CNC(=O)Nc1ccc2nc(N(C)C)oc2c1)N1CCOCC1 ZINC000162715064 442117066 /nfs/dbraw/zinc/11/70/66/442117066.db2.gz ASSIOFMHBUIIMU-GFCCVEGCSA-N 0 0 347.419 1.736 10 0 EDAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H](n3ccnc3CC)C2)C1 ZINC000151769651 442117964 /nfs/dbraw/zinc/11/79/64/442117964.db2.gz BZIKSXAICFAPIS-HUUCEWRRSA-N 0 0 347.463 1.803 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc2ccccc21 ZINC000162752425 442119682 /nfs/dbraw/zinc/11/96/82/442119682.db2.gz ZGTSHVXFKUISMY-OAHLLOKOSA-N 0 0 326.352 1.942 10 0 EDAERN CCOc1ccnc(N2CCCN(C(=O)C[C@@H](O)C(C)C)CC2)n1 ZINC000162835547 442125676 /nfs/dbraw/zinc/12/56/76/442125676.db2.gz BTYLCJGXGAEWMU-CQSZACIVSA-N 0 0 336.436 1.321 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCNC(=O)C(C)C)C1 ZINC000151957391 442147358 /nfs/dbraw/zinc/14/73/58/442147358.db2.gz NOTTUROTDXDUAR-AWEZNQCLSA-N 0 0 335.452 1.564 10 0 EDAERN CC(C)COCCCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175639482 442098249 /nfs/dbraw/zinc/09/82/49/442098249.db2.gz QDZCGHIJVNRZMU-CVEARBPZSA-N 0 0 327.469 1.411 10 0 EDAERN COCc1cccc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175665348 442101214 /nfs/dbraw/zinc/10/12/14/442101214.db2.gz UUJXNIGIWSNAGP-CRAIPNDOSA-N 0 0 347.459 1.695 10 0 EDAERN CCn1cnnc1C1CCN([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000152154442 442172686 /nfs/dbraw/zinc/17/26/86/442172686.db2.gz ZOLQWURHUKJRGQ-NSHDSACASA-N 0 0 334.449 1.961 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1(CC)CC ZINC000176140991 442181588 /nfs/dbraw/zinc/18/15/88/442181588.db2.gz JGXOJMAXMRMXGP-RBSFLKMASA-N 0 0 327.469 1.600 10 0 EDAERN O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121139744 442182004 /nfs/dbraw/zinc/18/20/04/442182004.db2.gz OUIWVAYMEVRGQO-GFCCVEGCSA-N 0 0 330.306 1.713 10 0 EDAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC[C@@H]2CO)s1 ZINC000121191474 442189789 /nfs/dbraw/zinc/18/97/89/442189789.db2.gz ZSZDICWFYIHPAR-GFCCVEGCSA-N 0 0 348.428 1.223 10 0 EDAERN COC(=O)[C@H](N[C@@H]1CCc2nc(C(C)C)nn2C1)c1cccnc1 ZINC000152304381 442195245 /nfs/dbraw/zinc/19/52/45/442195245.db2.gz MUIVAXNSIKCRPM-UKRRQHHQSA-N 0 0 329.404 1.615 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)c(Br)c1 ZINC000120953717 442156265 /nfs/dbraw/zinc/15/62/65/442156265.db2.gz GXWMKKKGGJVVPS-JTQLQIEISA-N 0 0 341.205 1.679 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000163368344 442161283 /nfs/dbraw/zinc/16/12/83/442161283.db2.gz CZPHYJMVMGJMGS-YJBOKZPZSA-N 0 0 339.480 1.972 10 0 EDAERN CCC(=O)c1cccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000163437082 442165434 /nfs/dbraw/zinc/16/54/34/442165434.db2.gz PAZKRCDIJNUQHV-LBPRGKRZSA-N 0 0 334.401 1.164 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccccc1OC ZINC000152458785 442215712 /nfs/dbraw/zinc/21/57/12/442215712.db2.gz QZSKTLFWVUXXLX-CYBMUJFWSA-N 0 0 345.403 1.767 10 0 EDAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC(=O)NC1CCCCC1 ZINC000152478282 442218041 /nfs/dbraw/zinc/21/80/41/442218041.db2.gz XJDATNFBFPZHJV-MRXNPFEDSA-N 0 0 346.431 1.693 10 0 EDAERN O=C(NC1CC1)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000127726971 442222012 /nfs/dbraw/zinc/22/20/12/442222012.db2.gz YQGUGGLVTXOUTN-CQSZACIVSA-N 0 0 325.372 1.435 10 0 EDAERN Cc1nc(CCCC(=O)N2CCO[C@H](Cn3cccn3)C2)cs1 ZINC000176455498 442224651 /nfs/dbraw/zinc/22/46/51/442224651.db2.gz LEFMSNVXLARGSK-HNNXBMFYSA-N 0 0 334.445 1.898 10 0 EDAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000176566594 442235023 /nfs/dbraw/zinc/23/50/23/442235023.db2.gz VEGCPIYRCDAXSX-FNODVLLQSA-N 0 0 347.444 1.481 10 0 EDAERN Cc1ccc(NC(=O)C[S@@](=O)Cc2nnnn2C(C)C)c(C)c1 ZINC000176578125 442236760 /nfs/dbraw/zinc/23/67/60/442236760.db2.gz AZWMBDAZPIRSJG-QHCPKHFHSA-N 0 0 335.433 1.758 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2nccn2C(F)F)C1 ZINC000170690822 442248996 /nfs/dbraw/zinc/24/89/96/442248996.db2.gz KALIVUURHVATAU-LLVKDONJSA-N 0 0 343.378 1.869 10 0 EDAERN CC(C)n1ccnc1C[S@@](=O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000176885573 442266972 /nfs/dbraw/zinc/26/69/72/442266972.db2.gz KUJZPCQCHNDLPC-JLTPVHFHSA-N 0 0 325.356 1.780 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000176965334 442278426 /nfs/dbraw/zinc/27/84/26/442278426.db2.gz VDYNINZLGFTKCV-LLVKDONJSA-N 0 0 344.437 1.474 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)NC1CCN(c2ccccn2)CC1 ZINC000153646019 442293884 /nfs/dbraw/zinc/29/38/84/442293884.db2.gz MIPZWVXSJMSQBX-HOCLYGCPSA-N 0 0 332.448 1.901 10 0 EDAERN CN1CCO[C@H](CNC(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000170758478 442258663 /nfs/dbraw/zinc/25/86/63/442258663.db2.gz XNIQOPXOQHZLJW-CQSZACIVSA-N 0 0 346.349 1.965 10 0 EDAERN C[C@@H](NC(=O)N1CCCN(Cc2cscn2)CC1)[C@H]1CCCO1 ZINC000171156169 442320886 /nfs/dbraw/zinc/32/08/86/442320886.db2.gz SIRQLFCGHDBGTJ-UKRRQHHQSA-N 0 0 338.477 1.928 10 0 EDAERN CCCOc1ncccc1CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177311893 442327221 /nfs/dbraw/zinc/32/72/21/442327221.db2.gz SIXIFBDVRBVMDN-ZDUSSCGKSA-N 0 0 330.392 1.796 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(N)nc(Cl)c1)CC2 ZINC000171214002 442328848 /nfs/dbraw/zinc/32/88/48/442328848.db2.gz MPKXOBCBJAAVNQ-SNVBAGLBSA-N 0 0 334.811 1.777 10 0 EDAERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1cc(-c2cccs2)nn1CCO ZINC000171227540 442330644 /nfs/dbraw/zinc/33/06/44/442330644.db2.gz DFNIULJWKBLCDC-ZJUUUORDSA-N 0 0 335.385 1.352 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(Cc2cccnc2)CC1 ZINC000177345273 442330870 /nfs/dbraw/zinc/33/08/70/442330870.db2.gz UMNAPMJZLGYALH-OAHLLOKOSA-N 0 0 341.419 1.035 10 0 EDAERN CCCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177362432 442332568 /nfs/dbraw/zinc/33/25/68/442332568.db2.gz LRVIITVDLXNBRQ-KBPBESRZSA-N 0 0 348.451 1.451 10 0 EDAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177399226 442337075 /nfs/dbraw/zinc/33/70/75/442337075.db2.gz SDIARJLLBAIRGF-HNNXBMFYSA-N 0 0 326.400 1.803 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)ccc1N(C)C ZINC000177400657 442337140 /nfs/dbraw/zinc/33/71/40/442337140.db2.gz JZIAJUGCRBZUDN-INIZCTEOSA-N 0 0 344.459 1.696 10 0 EDAERN O=C(CSC[C@H](O)CO)Nc1nc(-c2cccs2)cs1 ZINC000177420705 442339400 /nfs/dbraw/zinc/33/94/00/442339400.db2.gz WZDFXYVUMSGAPK-MRVPVSSYSA-N 0 0 330.456 1.897 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccc(F)cc1 ZINC000177431059 442340613 /nfs/dbraw/zinc/34/06/13/442340613.db2.gz KEYOIDYFJQJUBS-AWEZNQCLSA-N 0 0 347.394 1.940 10 0 EDAERN Cc1nccn1C[C@@H](C)CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177471503 442345675 /nfs/dbraw/zinc/34/56/75/442345675.db2.gz WWJQWUVMFJCUED-GOEBONIOSA-N 0 0 330.436 1.898 10 0 EDAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171108165 442313732 /nfs/dbraw/zinc/31/37/32/442313732.db2.gz QEQVLZDKGPQGGM-LLVKDONJSA-N 0 0 332.809 1.450 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@H]1N1CCOCC1 ZINC000177237300 442317901 /nfs/dbraw/zinc/31/79/01/442317901.db2.gz POUDQCCVIUNEKI-ZWNOBZJWSA-N 0 0 328.334 1.897 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1F)CC2 ZINC000177639979 442365512 /nfs/dbraw/zinc/36/55/12/442365512.db2.gz IYPFCHDSBYMKAS-JTQLQIEISA-N 0 0 349.341 1.188 10 0 EDAERN O=S(=O)(Cc1ccc(Br)cc1Cl)C[C@H](O)CO ZINC000177670025 442368173 /nfs/dbraw/zinc/36/81/73/442368173.db2.gz WYAZPGIIMGXRGL-SECBINFHSA-N 0 0 343.626 1.371 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)no1 ZINC000171864070 442386016 /nfs/dbraw/zinc/38/60/16/442386016.db2.gz SPNLZNLVISWLEP-CQSZACIVSA-N 0 0 344.415 1.880 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000132275962 442390403 /nfs/dbraw/zinc/39/04/03/442390403.db2.gz FGQGZYVYOSBEEJ-IUODEOHRSA-N 0 0 332.404 1.324 10 0 EDAERN C[C@H](NC(=O)NCc1cccc(CO)c1)c1nnc2n1CCCC2 ZINC000177925468 442395999 /nfs/dbraw/zinc/39/59/99/442395999.db2.gz ZXXOJULHDRBMKL-LBPRGKRZSA-N 0 0 329.404 1.667 10 0 EDAERN Cc1noc(CCNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000171995421 442397124 /nfs/dbraw/zinc/39/71/24/442397124.db2.gz IACUPMCZKLVNJB-RHSMWYFYSA-N 0 0 342.399 1.646 10 0 EDAERN Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4ncnn4C3)CC2)nc1 ZINC000172002499 442397699 /nfs/dbraw/zinc/39/76/99/442397699.db2.gz XPEQUYPITMXZMT-HNNXBMFYSA-N 0 0 340.431 1.329 10 0 EDAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155459641 442400324 /nfs/dbraw/zinc/40/03/24/442400324.db2.gz OFTSATPDIXUOKU-JQHSSLGASA-N 0 0 330.428 1.627 10 0 EDAERN FC(F)(F)Cn1ccnc1CN1CCCN(c2cccnn2)CC1 ZINC000171549201 442356510 /nfs/dbraw/zinc/35/65/10/442356510.db2.gz DSCOWDCIFKYBFK-UHFFFAOYSA-N 0 0 340.353 1.948 10 0 EDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)ccc2C)CCN1C[C@@H](C)O ZINC000177616756 442363766 /nfs/dbraw/zinc/36/37/66/442363766.db2.gz QWXCTMHLHFCCHF-CVEARBPZSA-N 0 0 347.459 1.546 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)COc2ccc(C)c(C)c2)n1 ZINC000155558519 442407779 /nfs/dbraw/zinc/40/77/79/442407779.db2.gz FXUALXZJHVMJFV-HNNXBMFYSA-N 0 0 331.372 1.974 10 0 EDAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000172121070 442411074 /nfs/dbraw/zinc/41/10/74/442411074.db2.gz OQWNABVVRGUCLP-HNNXBMFYSA-N 0 0 348.428 1.566 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)O1 ZINC000178169439 442412714 /nfs/dbraw/zinc/41/27/14/442412714.db2.gz ZZKRFVMTPTXKQY-NHYWBVRUSA-N 0 0 338.429 1.510 10 0 EDAERN CC(C)C[C@H]1COCCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000172159964 442416727 /nfs/dbraw/zinc/41/67/27/442416727.db2.gz GKGUFIHPUCRTND-GJZGRUSLSA-N 0 0 346.427 1.390 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CN1CCCCCCC1=O)CC2 ZINC000172255817 442431069 /nfs/dbraw/zinc/43/10/69/442431069.db2.gz YIGWVWMIQQBJGD-CYBMUJFWSA-N 0 0 333.436 1.064 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccc(N2CCCC2)nc1)C(C)C ZINC000178441174 442434293 /nfs/dbraw/zinc/43/42/93/442434293.db2.gz SJDZLKIIEAPGNO-OAHLLOKOSA-N 0 0 333.436 1.252 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000156120326 442448671 /nfs/dbraw/zinc/44/86/71/442448671.db2.gz GMQHZJLYGQQWNA-YGRLFVJLSA-N 0 0 345.852 1.633 10 0 EDAERN COc1cc(F)c(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000156155940 442451381 /nfs/dbraw/zinc/45/13/81/442451381.db2.gz LCJYYVQYUDVQRP-LLVKDONJSA-N 0 0 341.358 1.912 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc([S@](C)=O)cc1)CC2 ZINC000134129700 442452700 /nfs/dbraw/zinc/45/27/00/442452700.db2.gz YGYJBYBAJJKBSB-YEBMWUKDSA-N 0 0 346.456 1.884 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCNC(=O)c1ccco1)CC2 ZINC000134191800 442456077 /nfs/dbraw/zinc/45/60/77/442456077.db2.gz PPBJTCINOOZFBE-GFCCVEGCSA-N 0 0 345.403 1.246 10 0 EDAERN CS(=O)(=O)c1csc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000156500962 442488010 /nfs/dbraw/zinc/48/80/10/442488010.db2.gz MXVQOAUYZQYFPG-XHDPSFHLSA-N 0 0 343.470 1.919 10 0 EDAERN COCCN1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC000191691886 442491025 /nfs/dbraw/zinc/49/10/25/442491025.db2.gz GITQHQOQGGONNM-ZDUSSCGKSA-N 0 0 329.400 1.321 10 0 EDAERN CCc1ncsc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000178812464 442492605 /nfs/dbraw/zinc/49/26/05/442492605.db2.gz OKEQWFVXMYZTNA-UHFFFAOYSA-N 0 0 335.433 1.745 10 0 EDAERN COC(C)(C)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000172572157 442494812 /nfs/dbraw/zinc/49/48/12/442494812.db2.gz IXOVWLIANNLQIB-UHFFFAOYSA-N 0 0 342.443 1.942 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)cn1 ZINC000191716289 442496334 /nfs/dbraw/zinc/49/63/34/442496334.db2.gz HQGANJAVOPKOET-OAHLLOKOSA-N 0 0 329.404 1.719 10 0 EDAERN CCOC1CC(CCNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)C1 ZINC000191726570 442499370 /nfs/dbraw/zinc/49/93/70/442499370.db2.gz YVKVCDLZOONJJZ-VXLLPVPCSA-N 0 0 339.480 1.554 10 0 EDAERN COc1ccc(F)cc1CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000186081931 442459706 /nfs/dbraw/zinc/45/97/06/442459706.db2.gz KLORGLCHRVOXML-OAHLLOKOSA-N 0 0 344.390 1.952 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)C(C)C ZINC000178709535 442460185 /nfs/dbraw/zinc/46/01/85/442460185.db2.gz LJTAQXICEWBKHT-OAHLLOKOSA-N 0 0 330.388 1.586 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000179488389 442465231 /nfs/dbraw/zinc/46/52/31/442465231.db2.gz WZOSPMMTDLPLTF-NRXISQOPSA-N 0 0 338.448 1.873 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCc1ccccn1)CC2 ZINC000172505444 442475790 /nfs/dbraw/zinc/47/57/90/442475790.db2.gz ADKCREIFYMNODR-AWEZNQCLSA-N 0 0 328.420 1.653 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000191618818 442477695 /nfs/dbraw/zinc/47/76/95/442477695.db2.gz OCBVNCUMSDKZLD-NHYWBVRUSA-N 0 0 338.429 1.881 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc(C)c1F ZINC000186172657 442477811 /nfs/dbraw/zinc/47/78/11/442477811.db2.gz DPPGOWCWVRAQDU-UHFFFAOYSA-N 0 0 340.420 1.732 10 0 EDAERN CCc1noc2ncc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc12 ZINC000172750069 442534210 /nfs/dbraw/zinc/53/42/10/442534210.db2.gz COKUFSQWZCJUFV-ZDUSSCGKSA-N 0 0 330.388 1.332 10 0 EDAERN O=C(c1cnc(-c2ccccc2)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753215 442534219 /nfs/dbraw/zinc/53/42/19/442534219.db2.gz XULWXWVGBJSGEO-QGZVFWFLSA-N 0 0 338.411 1.690 10 0 EDAERN O=C(c1cc(-c2cccnc2)on1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753561 442534437 /nfs/dbraw/zinc/53/44/37/442534437.db2.gz OBCFRUCVMVMPPB-CQSZACIVSA-N 0 0 328.372 1.283 10 0 EDAERN CCOCCN1CCN(C(=O)c2sc(COC)nc2C)C[C@@H]1C ZINC000135095609 442554938 /nfs/dbraw/zinc/55/49/38/442554938.db2.gz IPUMNCSTYFUGGV-LBPRGKRZSA-N 0 0 341.477 1.781 10 0 EDAERN COCCn1cc(NC(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000172639193 442512057 /nfs/dbraw/zinc/51/20/57/442512057.db2.gz PYAGIGJHWWCQGP-UHFFFAOYSA-N 0 0 332.408 1.675 10 0 EDAERN COCCn1cc(NC(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000172686294 442520797 /nfs/dbraw/zinc/52/07/97/442520797.db2.gz JQIGALZOGFTAFS-UHFFFAOYSA-N 0 0 345.407 1.428 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cc(F)ccc1OC)CC2 ZINC000186400391 442526768 /nfs/dbraw/zinc/52/67/68/442526768.db2.gz FHNCWHTXHKVJSO-CYBMUJFWSA-N 0 0 332.379 1.662 10 0 EDAERN COCCN1C[C@H](C(=O)N[C@@H](C)COCc2ccccc2)CC1=O ZINC000172956895 442573102 /nfs/dbraw/zinc/57/31/02/442573102.db2.gz CBAIKOCKJKYVAH-GOEBONIOSA-N 0 0 334.416 1.203 10 0 EDAERN Cc1cccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1Cl ZINC000180296532 442575642 /nfs/dbraw/zinc/57/56/42/442575642.db2.gz YJFZRSKRWPMSMF-JTQLQIEISA-N 0 0 326.809 1.533 10 0 EDAERN COc1ccccc1OCC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135320980 442580214 /nfs/dbraw/zinc/58/02/14/442580214.db2.gz YHWMEJVBUHLLBA-LBPRGKRZSA-N 0 0 330.388 1.879 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](C)C(=O)OC(C)C)C(C)C ZINC000173005144 442583219 /nfs/dbraw/zinc/58/32/19/442583219.db2.gz GYTDFOBUVHWJCF-DZGCQCFKSA-N 0 0 328.453 1.877 10 0 EDAERN Cc1cc(C)n2nc(C(=O)N[C@@H](C)c3nnc4n3CCCC4)nc2n1 ZINC000135399082 442590716 /nfs/dbraw/zinc/59/07/16/442590716.db2.gz XQMWAVFBTVEEOE-NSHDSACASA-N 0 0 340.391 1.160 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc2cccnc21)C(C)C ZINC000179077986 442566974 /nfs/dbraw/zinc/56/69/74/442566974.db2.gz GCCLHWJGKIDHAZ-CYBMUJFWSA-N 0 0 328.372 1.060 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1Cl)C(C)C ZINC000179082364 442568299 /nfs/dbraw/zinc/56/82/99/442568299.db2.gz YNNPHIGXKUINDD-LLVKDONJSA-N 0 0 329.759 1.304 10 0 EDAERN Cc1cc(F)ccc1-n1ccc(C(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000180637941 442640425 /nfs/dbraw/zinc/64/04/25/442640425.db2.gz HQYGRMKWNDLWIM-AWEZNQCLSA-N 0 0 346.406 1.770 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1F ZINC000180777785 442658531 /nfs/dbraw/zinc/65/85/31/442658531.db2.gz JSXLDOONJDXALR-ZFWWWQNUSA-N 0 0 349.406 1.252 10 0 EDAERN CC(C)N(CCc1nccs1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000158167149 442651838 /nfs/dbraw/zinc/65/18/38/442651838.db2.gz STLUMPYKWAMGCJ-ZDUSSCGKSA-N 0 0 326.466 1.436 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2O)[C@H]1c1ccc(F)cc1 ZINC000187141932 442655966 /nfs/dbraw/zinc/65/59/66/442655966.db2.gz JXJCDZJURZABJY-KCYZZUKISA-N 0 0 334.391 1.765 10 0 EDAERN CC[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCCC1=O ZINC000173154434 442612482 /nfs/dbraw/zinc/61/24/82/442612482.db2.gz NNCFKGXTWZQVFR-AWEZNQCLSA-N 0 0 331.420 1.281 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232660 442618750 /nfs/dbraw/zinc/61/87/50/442618750.db2.gz DOWVKNYNFZOMGF-AWEZNQCLSA-N 0 0 348.509 1.854 10 0 EDAERN CCc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(=O)[nH]1 ZINC000181197077 442684287 /nfs/dbraw/zinc/68/42/87/442684287.db2.gz YRTOAHHZQHIDBS-NSHDSACASA-N 0 0 348.424 1.832 10 0 EDAERN O=C(NC1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1)C1CC1 ZINC000187703806 442687440 /nfs/dbraw/zinc/68/74/40/442687440.db2.gz MDEJWMJTYNYIMJ-KFWWJZLASA-N 0 0 333.432 1.254 10 0 EDAERN C[NH+](C)Cc1ccc(N2CCN(C(=O)/C=C/c3ccc[nH]3)CC2)nc1 ZINC000187976051 442701295 /nfs/dbraw/zinc/70/12/95/442701295.db2.gz WJYWCCMRGWLRPW-SOFGYWHQSA-N 0 0 339.443 1.833 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2c(C)noc2C)CC1 ZINC000181805900 442717613 /nfs/dbraw/zinc/71/76/13/442717613.db2.gz PQGRJMVATWKYJB-WFASDCNBSA-N 0 0 338.452 1.321 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)/C=C/c3cncc(O)c3)CC2)s1 ZINC000182001736 442726998 /nfs/dbraw/zinc/72/69/98/442726998.db2.gz DRDZWVGTYJBUNI-NSCUHMNNSA-N 0 0 344.440 1.910 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccnc1C(F)(F)F)CC2 ZINC000188385510 442745729 /nfs/dbraw/zinc/74/57/29/442745729.db2.gz VFURJKDTPGQEPZ-VIFPVBQESA-N 0 0 339.321 1.999 10 0 EDAERN CCN(CCCNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccccc1 ZINC000188471579 442753891 /nfs/dbraw/zinc/75/38/91/442753891.db2.gz GDSGEHYQFPNVQH-IAGOWNOFSA-N 0 0 333.432 1.001 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3cn4ccnc4s3)CC2)no1 ZINC000188474643 442754296 /nfs/dbraw/zinc/75/42/96/442754296.db2.gz AQSBFXFGNHKPHY-UHFFFAOYSA-N 0 0 346.416 1.435 10 0 EDAERN CCC1=C(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CCCO1 ZINC000188479590 442755067 /nfs/dbraw/zinc/75/50/67/442755067.db2.gz VTRKBXKBTHCRBL-AWEZNQCLSA-N 0 0 346.431 1.815 10 0 EDAERN COC(=O)Cc1cccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000188481328 442755180 /nfs/dbraw/zinc/75/51/80/442755180.db2.gz OWGDENSCXUMDKB-CQSZACIVSA-N 0 0 328.372 1.567 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](O)c1ccsc1)CC2 ZINC000181710910 442712024 /nfs/dbraw/zinc/71/20/24/442712024.db2.gz SERIEALRGVNXBX-OLZOCXBDSA-N 0 0 349.460 1.811 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)CCc2nnc[nH]2)c2cccs2)CCO1 ZINC000246494788 442786274 /nfs/dbraw/zinc/78/62/74/442786274.db2.gz BHZUOOXLFZSIGX-QWHCGFSZSA-N 0 0 349.460 1.377 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(OCC(F)F)n2)C1)C1CCC1 ZINC000188557547 442763596 /nfs/dbraw/zinc/76/35/96/442763596.db2.gz DXVXRRKGNMYUAW-UHFFFAOYSA-N 0 0 339.342 1.466 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000246336219 442774709 /nfs/dbraw/zinc/77/47/09/442774709.db2.gz FATLGWNNNJADQO-BFHYXJOUSA-N 0 0 333.498 1.180 10 0 EDAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000246344522 442774717 /nfs/dbraw/zinc/77/47/17/442774717.db2.gz VYMLKNGMTDFIEU-LSDHHAIUSA-N 0 0 342.484 1.043 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccc(C(C)C)cc1 ZINC000188646254 442778319 /nfs/dbraw/zinc/77/83/19/442778319.db2.gz RAXUIVVUKCXRLI-NVXWUHKLSA-N 0 0 334.416 1.287 10 0 EDAERN C[C@H](CCc1cccn1C)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188874656 442832432 /nfs/dbraw/zinc/83/24/32/442832432.db2.gz FSZQBMIABWDNEM-CYBMUJFWSA-N 0 0 332.448 1.656 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000188873809 442832580 /nfs/dbraw/zinc/83/25/80/442832580.db2.gz CPUOKBBNPIGNQC-SNVBAGLBSA-N 0 0 328.771 1.985 10 0 EDAERN O=C(NC1CN(C(=O)NCCCOc2ccccc2)C1)C1CCC1 ZINC000188780889 442812156 /nfs/dbraw/zinc/81/21/56/442812156.db2.gz IYIQWSAJDSXVEB-UHFFFAOYSA-N 0 0 331.416 1.766 10 0 EDAERN CCOc1cccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188791296 442814389 /nfs/dbraw/zinc/81/43/89/442814389.db2.gz WAZNGSWKXPTRCD-UHFFFAOYSA-N 0 0 331.416 1.895 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1)[C@@H]1CCCO1 ZINC000193943093 442816167 /nfs/dbraw/zinc/81/61/67/442816167.db2.gz QBJFIDRSAOLAMK-DOMZBBRYSA-N 0 0 328.372 1.495 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000246884625 442820023 /nfs/dbraw/zinc/82/00/23/442820023.db2.gz OQZQDBCYNZKOGH-KBPBESRZSA-N 0 0 328.416 1.604 10 0 EDAERN C[C@H]1CN(C(=O)c2nc3cccnc3s2)C[C@H]1N1CCOCC1 ZINC000193978843 442823575 /nfs/dbraw/zinc/82/35/75/442823575.db2.gz YOZUZPKWGJUBAX-WCQYABFASA-N 0 0 332.429 1.484 10 0 EDAERN Cc1nc(COc2cccc(C(=O)N3CCCNC(=O)[C@H]3C)c2)no1 ZINC000188835314 442823577 /nfs/dbraw/zinc/82/35/77/442823577.db2.gz PAJHLAGYIUJHMP-LLVKDONJSA-N 0 0 344.371 1.308 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3nc4cccnc4s3)CCO2)[nH]1 ZINC000193990922 442825418 /nfs/dbraw/zinc/82/54/18/442825418.db2.gz IPVKRHSKASBOPP-SNVBAGLBSA-N 0 0 344.400 1.586 10 0 EDAERN O=C(c1ccc2c(c1O)CCCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000182874224 442839720 /nfs/dbraw/zinc/83/97/20/442839720.db2.gz VBIVJIDVHQWOCR-HNNXBMFYSA-N 0 0 330.428 1.818 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000188954195 442848454 /nfs/dbraw/zinc/84/84/54/442848454.db2.gz JEWYLWQLUVMOCT-RHSMWYFYSA-N 0 0 329.400 1.198 10 0 EDAERN COCCN1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1C ZINC000194192365 442859536 /nfs/dbraw/zinc/85/95/36/442859536.db2.gz VEBGJRAFPUGEKU-CYBMUJFWSA-N 0 0 329.404 1.264 10 0 EDAERN C[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)c1nnc2n1CCCC2 ZINC000194211498 442862318 /nfs/dbraw/zinc/86/23/18/442862318.db2.gz HPBAWLHPFOJUKW-LLVKDONJSA-N 0 0 337.387 1.891 10 0 EDAERN CCOCc1ccccc1CNC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189286212 442912341 /nfs/dbraw/zinc/91/23/41/442912341.db2.gz FXBMLTCUGVRJOJ-CQSZACIVSA-N 0 0 333.432 1.050 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)CCn3cncn3)C[C@@H]21 ZINC000183270813 442913927 /nfs/dbraw/zinc/91/39/27/442913927.db2.gz LCNZFMZFOPLHGO-MELADBBJSA-N 0 0 349.435 1.430 10 0 EDAERN O=C(CCOc1ccc(F)cc1Cl)N1CC(NC(=O)C2CC2)C1 ZINC000189429382 442950270 /nfs/dbraw/zinc/95/02/70/442950270.db2.gz AOKPDSYMRWIJAM-UHFFFAOYSA-N 0 0 340.782 1.985 10 0 EDAERN C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc(N(C)C)c2)C[C@@H]1C ZINC000189442825 442955058 /nfs/dbraw/zinc/95/50/58/442955058.db2.gz ZZBMQGHXLJVZSH-JKSUJKDBSA-N 0 0 333.476 1.599 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000189453277 442957743 /nfs/dbraw/zinc/95/77/43/442957743.db2.gz RYCKBNVJLDQVDI-HNNXBMFYSA-N 0 0 344.415 1.022 10 0 EDAERN CCN(CC)C(=O)CCCC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000183758406 442961315 /nfs/dbraw/zinc/96/13/15/442961315.db2.gz ZOTPMTTVAHWUIU-ZDUSSCGKSA-N 0 0 338.408 1.317 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N(C)CC(=O)OC(C)(C)C)C(C)C ZINC000194869934 442963039 /nfs/dbraw/zinc/96/30/39/442963039.db2.gz ONLWGOSXFUURAT-HNNXBMFYSA-N 0 0 328.453 1.973 10 0 EDAERN C[C@@H](NC(=O)NCc1cccc(CS(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000194867101 442963073 /nfs/dbraw/zinc/96/30/73/442963073.db2.gz CXNGAOAWYXWVPO-IUODEOHRSA-N 0 0 340.445 1.598 10 0 EDAERN CC[C@@H]1C[C@H](C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)CCO1 ZINC000183804245 442965635 /nfs/dbraw/zinc/96/56/35/442965635.db2.gz VEIWBGWMWLDQMO-IAGOWNOFSA-N 0 0 348.491 1.886 10 0 EDAERN Cn1c(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)nnc1C1CC1 ZINC000194642420 318592335 /nfs/dbraw/zinc/59/23/35/318592335.db2.gz PDAMVMMPRLUKDL-KRWDZBQOSA-N 0 0 325.372 1.660 10 0 EDAERN CO[C@H](C)CNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000189613328 442984510 /nfs/dbraw/zinc/98/45/10/442984510.db2.gz QNEXXQGQUUHXLL-IAQYHMDHSA-N 0 0 347.440 1.834 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(CC(=O)OC)c1)CC2 ZINC000189615914 442985910 /nfs/dbraw/zinc/98/59/10/442985910.db2.gz YXMJFGQTYKIEFX-AWEZNQCLSA-N 0 0 342.399 1.301 10 0 EDAERN CCn1ccnc1CN1CCN([C@H](C)C(=O)NC2CCCC2)C[C@H]1C ZINC000249691993 443000024 /nfs/dbraw/zinc/00/00/24/443000024.db2.gz MENLOOBOKXOGOP-HZPDHXFCSA-N 0 0 347.507 1.856 10 0 EDAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N[C@]1(CO)CCOC1 ZINC000184255425 443005893 /nfs/dbraw/zinc/00/58/93/443005893.db2.gz KMFSWQDUMBESCC-JSGCOSHPSA-N 0 0 332.322 1.611 10 0 EDAERN CCO[C@H]1C[C@](NCc2nnc(C3CC3)n2C)(C(=O)OC)C1(C)C ZINC000189824702 443015981 /nfs/dbraw/zinc/01/59/81/443015981.db2.gz YTPKWDGSAHYADX-SJCJKPOMSA-N 0 0 336.436 1.529 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000184402138 443018273 /nfs/dbraw/zinc/01/82/73/443018273.db2.gz UEDXXHHIVXXJNI-LBPRGKRZSA-N 0 0 349.435 1.659 10 0 EDAERN CCCCn1c(N)c(N(C)Cc2nccn2C(C)C)c(=O)[nH]c1=O ZINC000195514202 443026862 /nfs/dbraw/zinc/02/68/62/443026862.db2.gz ZOOSFWYPRJMVPP-UHFFFAOYSA-N 0 0 334.424 1.333 10 0 EDAERN COC(=O)C[C@@H](NC(=O)CCCCc1c[nH]nn1)c1ccccc1 ZINC000184612375 443049398 /nfs/dbraw/zinc/04/93/98/443049398.db2.gz KLZRMAGCAGDUKP-OAHLLOKOSA-N 0 0 330.388 1.938 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000189954519 443036215 /nfs/dbraw/zinc/03/62/15/443036215.db2.gz ODGQIEJJLGUCRK-ZDUSSCGKSA-N 0 0 334.395 1.182 10 0 EDAERN COc1cc(OC)cc(C(=O)NCc2cc(C)nc(N(C)C)n2)c1 ZINC000189959126 443037810 /nfs/dbraw/zinc/03/78/10/443037810.db2.gz AHFDFJGKOAVBQN-UHFFFAOYSA-N 0 0 330.388 1.798 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000190361648 443092677 /nfs/dbraw/zinc/09/26/77/443092677.db2.gz GUJPAXYBAGAUJM-LLVKDONJSA-N 0 0 338.433 1.332 10 0 EDAERN CCc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc1 ZINC000224217332 443097094 /nfs/dbraw/zinc/09/70/94/443097094.db2.gz ATIHJTZLNMQCHO-UHFFFAOYSA-N 0 0 326.400 1.806 10 0 EDAERN COC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000190059235 443053045 /nfs/dbraw/zinc/05/30/45/443053045.db2.gz ZJJSEGZZCFNNGJ-AEFFLSMTSA-N 0 0 349.475 1.606 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@H]2CC[C@H](C)O2)ncn1 ZINC000253550133 443072923 /nfs/dbraw/zinc/07/29/23/443072923.db2.gz NPXWJWHPXUDNHN-RRFJBIMHSA-N 0 0 347.463 1.951 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cn(CC4(C)COC4)nn3)C2)c1 ZINC000184816726 443080847 /nfs/dbraw/zinc/08/08/47/443080847.db2.gz OKHUACYKZATJAR-CQSZACIVSA-N 0 0 344.419 1.297 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)C12CCOCC2 ZINC000185085717 443133556 /nfs/dbraw/zinc/13/35/56/443133556.db2.gz MMZGATRJNRKYJH-CVEARBPZSA-N 0 0 346.427 1.507 10 0 EDAERN C[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)C[C@@H]1N1CCOCC1 ZINC000255677264 443108009 /nfs/dbraw/zinc/10/80/09/443108009.db2.gz SDLJUSLANYQQHN-IKKNBEIESA-N 0 0 344.411 1.608 10 0 EDAERN COc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000190756109 443177136 /nfs/dbraw/zinc/17/71/36/443177136.db2.gz WDLSJLLTPBHSIB-GFCCVEGCSA-N 0 0 346.362 1.661 10 0 EDAERN CCn1cc([C@@H]2CN(CC(=O)NCc3ccc(C)cc3)CCO2)cn1 ZINC000190778236 443182356 /nfs/dbraw/zinc/18/23/56/443182356.db2.gz PZXFCVQLMQITQS-SFHVURJKSA-N 0 0 342.443 1.901 10 0 EDAERN CN1CCN(c2ncc(CN3CCO[C@@H]4CCCC[C@H]43)cn2)CC1 ZINC000245514264 443233572 /nfs/dbraw/zinc/23/35/72/443233572.db2.gz FOOBOJAYCMFYOW-IAGOWNOFSA-N 0 0 331.464 1.372 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N(CC)CC(C)(C)O)C12CCOCC2 ZINC000185697220 443239549 /nfs/dbraw/zinc/23/95/49/443239549.db2.gz RXZIPUIDOCLDEL-KGLIPLIRSA-N 0 0 328.453 1.763 10 0 EDAERN COC(=O)Cc1cccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000191111179 443242377 /nfs/dbraw/zinc/24/23/77/443242377.db2.gz BOSVIRSTMBYOAO-LBPRGKRZSA-N 0 0 343.387 1.552 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000185461511 443203438 /nfs/dbraw/zinc/20/34/38/443203438.db2.gz XJWCWZKDYGFDIO-VIFPVBQESA-N 0 0 343.786 1.697 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CCCNC(=O)C1CCCC1 ZINC000190920549 443209665 /nfs/dbraw/zinc/20/96/65/443209665.db2.gz JMQZHLQRMIGFSV-UHFFFAOYSA-N 0 0 327.450 1.514 10 0 EDAERN Cc1cc(C)c(N2CC[C@H]([NH2+]C[C@H]3CN(C)CCO3)C2=O)c(C)c1 ZINC000190965858 443215292 /nfs/dbraw/zinc/21/52/92/443215292.db2.gz JQVCPASWYBWSGC-IRXDYDNUSA-N 0 0 331.460 1.637 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000191200941 443257752 /nfs/dbraw/zinc/25/77/52/443257752.db2.gz INGIVGGZKMPACT-ZDUSSCGKSA-N 0 0 344.415 1.233 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000246143073 443271861 /nfs/dbraw/zinc/27/18/61/443271861.db2.gz RNWCMEGHTFUJNC-WQVCFCJDSA-N 0 0 331.416 1.803 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000191345466 443282154 /nfs/dbraw/zinc/28/21/54/443282154.db2.gz PLSLTPJZMXNDHC-UHFFFAOYSA-N 0 0 325.315 1.084 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1N1CCOCC1 ZINC000185936350 443287580 /nfs/dbraw/zinc/28/75/80/443287580.db2.gz HOQRICDXHGAMQY-XJKSGUPXSA-N 0 0 341.415 1.264 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCOCC(F)(F)C(F)F ZINC000191478098 443300598 /nfs/dbraw/zinc/30/05/98/443300598.db2.gz GRSNBHWDEVOQMK-SECBINFHSA-N 0 0 328.306 1.373 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(c3nc4ccccc4n3C)CC[C@@H]21 ZINC000299740999 444129208 /nfs/dbraw/zinc/12/92/08/444129208.db2.gz CSDCMQUIGAPASD-HIFRSBDPSA-N 0 0 329.404 1.192 10 0 EDAERN CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000328631057 444403800 /nfs/dbraw/zinc/40/38/00/444403800.db2.gz QNMGNAYTCOXMQO-AWEZNQCLSA-N 0 0 327.450 1.550 10 0 EDAERN CCC(CC)c1cc(C(=O)N2CCO[C@H](c3nncn3C)C2)on1 ZINC000328639215 444407768 /nfs/dbraw/zinc/40/77/68/444407768.db2.gz WTDGACHXRXZULO-AWEZNQCLSA-N 0 0 333.392 1.920 10 0 EDAERN Cc1nnc([C@@H]2COCCN2C(=O)c2cnc3ccc(C)cn32)o1 ZINC000328610681 444392441 /nfs/dbraw/zinc/39/24/41/444392441.db2.gz ISUBNQDKJJCYHJ-ZDUSSCGKSA-N 0 0 327.344 1.548 10 0 EDAERN Cc1nnc([C@@H]2COCCN2C(=O)[C@H]2Oc3ccccc3[C@H]2C)o1 ZINC000328610240 444392485 /nfs/dbraw/zinc/39/24/85/444392485.db2.gz GYTGDYJAGDSPGD-DGFSRKRXSA-N 0 0 329.356 1.843 10 0 EDAERN Cn1ncnc1[C@H]1COCCN1C(=O)CCc1ccc2[nH]ccc2c1 ZINC000375168709 446620704 /nfs/dbraw/zinc/62/07/04/446620704.db2.gz SHAOVTZHLOOOGT-MRXNPFEDSA-N 0 0 339.399 1.829 10 0 EDAERN CC(=O)N1CCOC[C@@H]1C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000371307783 446763059 /nfs/dbraw/zinc/76/30/59/446763059.db2.gz IBUOFGWLHHKTQC-GOSISDBHSA-N 0 0 346.427 1.094 10 0 EDAERN COc1nc(NC[C@H]2CCCn3ccnc32)ncc1Br ZINC000372193281 447024554 /nfs/dbraw/zinc/02/45/54/447024554.db2.gz TVMCLKCHNBXHKT-SECBINFHSA-N 0 0 338.209 2.434 10 0 EDAERN CCOc1cccc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583618185 448446167 /nfs/dbraw/zinc/44/61/67/448446167.db2.gz LIFGWLIMHHLBMG-GOSISDBHSA-N 0 0 344.415 1.991 10 0 EDAERN O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1C[C@@H](F)C[C@H]1CO ZINC000583620539 448450912 /nfs/dbraw/zinc/45/09/12/448450912.db2.gz VNEVBSWKHIOOEV-KBPBESRZSA-N 0 0 341.814 1.883 10 0 EDAERN Cc1conc1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnoc1C ZINC000583621485 448451411 /nfs/dbraw/zinc/45/14/11/448451411.db2.gz RTTLJBJUBVMEIJ-STQMWFEESA-N 0 0 337.355 2.014 10 0 EDAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1cncc(O)c1 ZINC000583621533 448451951 /nfs/dbraw/zinc/45/19/51/448451951.db2.gz YCKZRFZJGCXSTO-GJZGRUSLSA-N 0 0 345.378 1.262 10 0 EDAERN O=C([O-])[C@@H]1C[C@@H](N2CC[NH2+]CC2)CN(C(=O)OCc2ccccc2)C1 ZINC000536960539 448548604 /nfs/dbraw/zinc/54/86/04/448548604.db2.gz WFCUHUXEDPAYRD-HZPDHXFCSA-N 0 0 347.415 1.004 10 0 EDAERN CCOc1cc2c(cc1C(N)=O)nccc2OC[C@@H]1CCC(=O)N1 ZINC000584640500 448588955 /nfs/dbraw/zinc/58/89/55/448588955.db2.gz RSKUFGIXMMARLY-JTQLQIEISA-N 0 0 329.356 1.390 10 0 EDAERN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1COC(=O)c1ccccc1 ZINC000584660578 448589701 /nfs/dbraw/zinc/58/97/01/448589701.db2.gz LXFZFUDXXQZRHL-RMRDIRSESA-N 0 0 346.379 1.594 10 0 EDAERN COc1cc(C(=O)N[C@@H]2CCNC2=O)cc(OC)c1Br ZINC000616969439 449412968 /nfs/dbraw/zinc/41/29/68/449412968.db2.gz MDZGJKSVIFFLHY-MRVPVSSYSA-N 0 0 343.177 1.085 10 0 EDAERN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000614983887 449904083 /nfs/dbraw/zinc/90/40/83/449904083.db2.gz HCCPREGLHVXMSZ-IUODEOHRSA-N 0 0 329.404 2.137 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)NCc2cnc(C)o2)[C@H]1c1cnn(C)c1C ZINC000616227031 450360105 /nfs/dbraw/zinc/36/01/05/450360105.db2.gz YDNHQPWWSFXQLY-BBRMVZONSA-N 0 0 345.403 1.251 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1ccccc1CCO ZINC000616602963 450454405 /nfs/dbraw/zinc/45/44/05/450454405.db2.gz CWVAMQQQSWNNGJ-SFHVURJKSA-N 0 0 346.452 1.557 10 0 EDAERN NC(=O)c1ccccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616643974 450456868 /nfs/dbraw/zinc/45/68/68/450456868.db2.gz LYUVFXSJESUQLW-INIZCTEOSA-N 0 0 346.408 1.548 10 0 EDAERN Cn1cc(O[C@@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@H]2O)cn1 ZINC000625625902 450456869 /nfs/dbraw/zinc/45/68/69/450456869.db2.gz SDRGYQUQXKRIAG-QZTJIDSGSA-N 0 0 339.399 1.230 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc2N1S(C)(=O)=O ZINC000616682897 450460077 /nfs/dbraw/zinc/46/00/77/450460077.db2.gz DUNBMGBDURNAHL-NSHDSACASA-N 0 0 341.433 1.771 10 0 EDAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccnn1CCc1ccccc1 ZINC000622005124 450983050 /nfs/dbraw/zinc/98/30/50/450983050.db2.gz YTYZVTBKIKHWPD-UKRRQHHQSA-N 0 0 326.400 1.523 10 0 EDAERN Cc1cn(C2CCOCC2)nc1C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000630355661 451129069 /nfs/dbraw/zinc/12/90/69/451129069.db2.gz KYLMIPQRAKSIRH-ZDUSSCGKSA-N 0 0 334.420 1.330 10 0 EDAERN Cn1cc(O[C@@H]2CN(C(=O)c3cn(C)c4ccccc34)C[C@H]2O)cn1 ZINC000628256743 451196973 /nfs/dbraw/zinc/19/69/73/451196973.db2.gz KEXKHOUTRMCKFU-IAGOWNOFSA-N 0 0 340.383 1.176 10 0 EDAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(-c2ccccn2)no1 ZINC000643949635 452855781 /nfs/dbraw/zinc/85/57/81/452855781.db2.gz RHYNVXXXUKXQEK-KRWDZBQOSA-N 0 0 344.371 1.104 10 0 EDAERN Cc1cc(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)c(C)o1 ZINC000659997871 452908600 /nfs/dbraw/zinc/90/86/00/452908600.db2.gz DOXJHDSWPAETJM-GXTWGEPZSA-N 0 0 339.417 1.686 10 0 EDAERN Cc1c(NC(=O)CN2CCCC[C@@H](O)C2=O)cnn1C1CCCC1 ZINC000644452166 453475613 /nfs/dbraw/zinc/47/56/13/453475613.db2.gz QZXONMAGKFXFBC-OAHLLOKOSA-N 0 0 334.420 1.619 10 0 EDAERN O=C1NCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000657029631 453633791 /nfs/dbraw/zinc/63/37/91/453633791.db2.gz DVRKTXJDKYSQET-MRVPVSSYSA-N 0 0 343.619 1.814 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)cn1 ZINC000195418147 486661004 /nfs/dbraw/zinc/66/10/04/486661004.db2.gz WHYBZCFFWASCLP-SNVBAGLBSA-N 0 0 337.405 1.058 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2ncsc2Br)C1 ZINC000673204243 486948491 /nfs/dbraw/zinc/94/84/91/486948491.db2.gz CZWOLYOXMPTGDD-MRVPVSSYSA-N 0 0 334.239 1.356 10 0 EDAERN CC1(C)NC(=O)CC[C@H]1NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000685510866 487289632 /nfs/dbraw/zinc/28/96/32/487289632.db2.gz CGXAMEIYJDVZQM-OAHLLOKOSA-N 0 0 336.457 1.378 10 0 EDAERN O=C1CC[C@H](Nc2ccc3nnc(C4CC4)n3n2)[C@@H]([C@H]2CCCO2)N1 ZINC000685921503 487345710 /nfs/dbraw/zinc/34/57/10/487345710.db2.gz YGUDIRFPLGQZAT-OZVIIMIRSA-N 0 0 342.403 1.240 10 0 EDAERN CCOC(=O)c1cc(I)cc2c1NC(=O)C2 ZINC000575442413 485653738 /nfs/dbraw/zinc/65/37/38/485653738.db2.gz YBYKWPBOAOJKOB-UHFFFAOYSA-N 0 0 331.109 1.963 10 0 EDAERN NC(=O)c1c2snc(N3C(=O)c4ccccc4C3=O)c2ccc1N ZINC000584647490 485899987 /nfs/dbraw/zinc/89/99/87/485899987.db2.gz VPKQCNYHAXOWFZ-UHFFFAOYSA-N 0 0 338.348 1.778 10 0 EDAERN C[C@H](NC(=O)CCNS(C)(=O)=O)c1cccc(Br)c1 ZINC000075862080 486074976 /nfs/dbraw/zinc/07/49/76/486074976.db2.gz TVQHRIMCCXHJKX-VIFPVBQESA-N 0 0 349.250 1.566 10 0 EDAERN COc1cccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1F ZINC000583619560 486278456 /nfs/dbraw/zinc/27/84/56/486278456.db2.gz QPNGJNLFUZSHEP-DYVFJYSZSA-N 0 0 343.358 1.931 10 0 EDAERN Cc1cc2[nH]c(C(=O)N3CC[C@@](O)(Cn4ccnn4)C3)cc2c(C)c1 ZINC000671502344 486629847 /nfs/dbraw/zinc/62/98/47/486629847.db2.gz DDUMIKZKKDJKAN-SFHVURJKSA-N 0 0 339.399 1.653 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1F ZINC000088235822 491194283 /nfs/dbraw/zinc/19/42/83/491194283.db2.gz HAAKBFAQAFIGQT-FZMZJTMJSA-N 0 0 328.409 1.735 10 0 EDAERN C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1nnc2n1CCCC2 ZINC000121776693 490999673 /nfs/dbraw/zinc/99/96/73/490999673.db2.gz ZGEBARMUTICCIO-VXGBXAGGSA-N 0 0 328.438 1.164 10 0 EDAERN O=C1N[C@@H](c2ccc(OCC(F)(F)F)c(F)c2)N2CCOC[C@H]12 ZINC000183951991 501079597 /nfs/dbraw/zinc/07/95/97/501079597.db2.gz JEMRQXSPBGXMBM-ZYHUDNBSSA-N 0 0 334.269 1.596 10 0 EDAERN Cc1cc(F)ccc1-n1cc(C(=O)N[C@H]2CCc3ncnn3C2)nn1 ZINC000179514564 533855942 /nfs/dbraw/zinc/85/59/42/533855942.db2.gz BVPXCGTZVBEOLC-LBPRGKRZSA-N 0 0 341.350 1.051 10 0 EDAERN COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176101458 533869471 /nfs/dbraw/zinc/86/94/71/533869471.db2.gz SVLGFBGMLIYFKA-JTQLQIEISA-N 0 0 349.778 1.530 10 0 EDAERN COC(=O)N(C)CCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171485562 533884382 /nfs/dbraw/zinc/88/43/82/533884382.db2.gz JKYJPHWPLKCQQS-GFCCVEGCSA-N 0 0 337.424 1.311 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3cccc(C)c3)C2=O)n(C)n1 ZINC000175018013 533895809 /nfs/dbraw/zinc/89/58/09/533895809.db2.gz JIRXSRASWLSXTC-INIZCTEOSA-N 0 0 340.427 1.891 10 0 EDAERN COC(=O)c1ccc(CCNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176378555 534088399 /nfs/dbraw/zinc/08/83/99/534088399.db2.gz ZBSNEFZXNCUJCD-AWEZNQCLSA-N 0 0 343.387 1.442 10 0 EDAERN COC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000163211125 534229826 /nfs/dbraw/zinc/22/98/26/534229826.db2.gz ZXTGOOQXQSYGIR-ZWNOBZJWSA-N 0 0 340.807 1.772 10 0 EDAERN C[C@@H]1CC[C@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccccc21 ZINC000156326312 534252211 /nfs/dbraw/zinc/25/22/11/534252211.db2.gz HJEJOYLHPAPWTC-RISCZKNCSA-N 0 0 330.388 1.476 10 0 EDAERN Cc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000183946931 534493016 /nfs/dbraw/zinc/49/30/16/534493016.db2.gz MYDNVPRIGCZMTB-OAHLLOKOSA-N 0 0 328.416 1.631 10 0 EDAERN O=C(CNC(=O)N[C@@H]1CCCC[C@H]1CO)N1CCc2ccccc21 ZINC000176035008 534570899 /nfs/dbraw/zinc/57/08/99/534570899.db2.gz PWEPIEVIBNLPFC-LSDHHAIUSA-N 0 0 331.416 1.426 10 0 EDAERN CC(=O)N[C@H]1CCCN([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000076709148 534665390 /nfs/dbraw/zinc/66/53/90/534665390.db2.gz VNLMGDRLVATRIL-QAPCUYQASA-N 0 0 331.460 1.643 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)Nc3ccc(=O)n(C)c3)CC2)s1 ZINC000171808441 534735383 /nfs/dbraw/zinc/73/53/83/534735383.db2.gz GZOWUSBDHIYFHU-UHFFFAOYSA-N 0 0 347.444 1.500 10 0 EDAERN Cn1ncc2c1ncnc2N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000177832595 534837448 /nfs/dbraw/zinc/83/74/48/534837448.db2.gz IMEMJXQTTVBCQR-NSHDSACASA-N 0 0 332.408 1.857 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000190299334 526711326 /nfs/dbraw/zinc/71/13/26/526711326.db2.gz ZFHSHGQPIVDXIZ-QGZVFWFLSA-N 0 0 342.374 1.840 10 0 EDAERN CCN(CC)C(=O)CN(C)C(=O)c1cccc(N)c1Br ZINC000158933040 528013374 /nfs/dbraw/zinc/01/33/74/528013374.db2.gz WHYWVLZQYKDFQM-UHFFFAOYSA-N 0 0 342.237 1.972 10 0 EDAERN CC(C)CS(=O)(=O)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000172973647 528200333 /nfs/dbraw/zinc/20/03/33/528200333.db2.gz RJKJGOQGZBUPQJ-CQSZACIVSA-N 0 0 327.446 1.779 10 0 EDAERN CC(C)c1ccccc1OC[C@H](O)CN1CC(NC(=O)C2CC2)C1 ZINC000187981798 528207107 /nfs/dbraw/zinc/20/71/07/528207107.db2.gz DUEJDGSBKXQINJ-MRXNPFEDSA-N 0 0 332.444 1.760 10 0 EDAERN CCOc1ccc(C2=C(N3CCOCC3)C(=O)N(C(C)C)C2=O)cc1 ZINC000169993830 528412631 /nfs/dbraw/zinc/41/26/31/528412631.db2.gz BSURHPAPXQBOIH-UHFFFAOYSA-N 0 0 344.411 1.906 10 0 EDAERN CCC[C@H]1NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168907253 528436922 /nfs/dbraw/zinc/43/69/22/528436922.db2.gz ZOKQKDIRERYRHZ-LLVKDONJSA-N 0 0 326.194 1.471 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1cn2c(cccc2C)n1 ZINC000184394013 528482271 /nfs/dbraw/zinc/48/22/71/528482271.db2.gz UPLXGTOITXVPJR-INIZCTEOSA-N 0 0 330.432 1.760 10 0 EDAERN CCCNc1ccc(S(=O)(=O)NC2CCS(=O)CC2)cc1 ZINC000159081402 528570822 /nfs/dbraw/zinc/57/08/22/528570822.db2.gz LFTVAVJIGKUPFB-UHFFFAOYSA-N 0 0 330.475 1.698 10 0 EDAERN CCCNc1nnc(S(=O)(=O)Cc2nnc(C(C)C)n2C)s1 ZINC000183515093 528574293 /nfs/dbraw/zinc/57/42/93/528574293.db2.gz NNMMODUQYMLXPZ-UHFFFAOYSA-N 0 0 344.466 1.586 10 0 EDAERN CC(C)N(C)C(=O)CS(=O)(=O)c1cc(Br)ccc1N ZINC000167151201 528800666 /nfs/dbraw/zinc/80/06/66/528800666.db2.gz BEYGVMHKEHVVSA-UHFFFAOYSA-N 0 0 349.250 1.672 10 0 EDAERN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(C)C ZINC000178642622 528845028 /nfs/dbraw/zinc/84/50/28/528845028.db2.gz RLVNWNBBYJTJTL-WFASDCNBSA-N 0 0 326.462 1.998 10 0 EDAERN CCC[C@@H](N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OCC ZINC000174344383 529021194 /nfs/dbraw/zinc/02/11/94/529021194.db2.gz POQQPEYBLTUNRZ-UONOGXRCSA-N 0 0 336.436 1.545 10 0 EDAERN CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164757817 529195025 /nfs/dbraw/zinc/19/50/25/529195025.db2.gz XGUZALYYUXNRGN-NSHDSACASA-N 0 0 331.825 1.130 10 0 EDAERN CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172304962 529222864 /nfs/dbraw/zinc/22/28/64/529222864.db2.gz VRXFLKMPZMTMPS-HUBLWGQQSA-N 0 0 342.461 1.857 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CN1CCCCCCC1=O)CC2 ZINC000195279906 535022014 /nfs/dbraw/zinc/02/20/14/535022014.db2.gz KGLKWSPQJSEUNY-AWEZNQCLSA-N 0 0 347.463 1.625 10 0 EDAERN CCOC(=O)Nc1cccc(N2CCN(S(C)(=O)=O)CC2)c1 ZINC000041375702 535412156 /nfs/dbraw/zinc/41/21/56/535412156.db2.gz QIUUWDDFGJLXGA-UHFFFAOYSA-N 0 0 327.406 1.337 10 0 EDAERN CCNC(=O)C(C)(C)CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000131256956 535787749 /nfs/dbraw/zinc/78/77/49/535787749.db2.gz MCNFXSSSRYBBAL-CXAGYDPISA-N 0 0 325.453 1.485 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@]1(O)CCOC1 ZINC000245687402 535972994 /nfs/dbraw/zinc/97/29/94/535972994.db2.gz IROFLBOSFNMDGL-YEWWUXTCSA-N 0 0 334.416 1.099 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)CC1 ZINC000248490529 535988666 /nfs/dbraw/zinc/98/86/66/535988666.db2.gz NNXGYJRRCDLHLT-GDAAHCPNSA-N 0 0 343.471 1.813 10 0 EDAERN CCc1c(C(=O)CN2CC[C@@H](N3CCOCC3)C2)[nH]c(C)c1C(C)=O ZINC000173992610 536016030 /nfs/dbraw/zinc/01/60/30/536016030.db2.gz KCFOIHSKIWXWEV-OAHLLOKOSA-N 0 0 347.459 1.677 10 0 EDAERN CN[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)c1cnn(C)c1 ZINC000262284991 536388272 /nfs/dbraw/zinc/38/82/72/536388272.db2.gz XTYINCXESWAVQT-INIZCTEOSA-N 0 0 327.388 1.446 10 0 EDAERN COCCCNC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195513611 536566225 /nfs/dbraw/zinc/56/62/25/536566225.db2.gz JLEZTDCSIACHRS-CQSZACIVSA-N 0 0 335.452 1.294 10 0 EDAERN COc1ccc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)cc1 ZINC000185075531 536766653 /nfs/dbraw/zinc/76/66/53/536766653.db2.gz NWKXNIULURDOGA-CQSZACIVSA-N 0 0 332.360 1.399 10 0 EDAERN CC(C)C[NH+]1CCN(c2ncc(Br)c(C(=O)[O-])n2)CC1 ZINC000757192898 579965498 /nfs/dbraw/zinc/96/54/98/579965498.db2.gz XBUWFJSUBUKUOC-UHFFFAOYSA-N 0 0 343.225 1.715 10 0 EDAERN COc1cccc2c1CCN(C(=O)CN1CCCC[C@@H](OC)C1=O)C2 ZINC000888075980 590929957 /nfs/dbraw/zinc/92/99/57/590929957.db2.gz KSYYGWBZUWHSOC-QGZVFWFLSA-N 0 0 346.427 1.607 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)N2CCc3ccccc3C2)C1 ZINC000888077535 590932895 /nfs/dbraw/zinc/93/28/95/590932895.db2.gz HNHCDLLLKFHWKX-IAGOWNOFSA-N 0 0 340.427 1.756 10 0 EDAERN CO[C@@H]1CN(C(=O)c2c[nH]c(C(F)(F)F)c2)C[C@H]1c1cn(C)nn1 ZINC000888078197 590934807 /nfs/dbraw/zinc/93/48/07/590934807.db2.gz XHUUZUPFVQKVAH-GXSJLCMTSA-N 0 0 343.309 1.417 10 0 EDAERN CCn1nnc(C)c1C(=O)NC[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000888078295 590935396 /nfs/dbraw/zinc/93/53/96/590935396.db2.gz HBNQEAOXUMZTSU-SWLSCSKDSA-N 0 0 332.408 1.238 10 0 EDAERN C[C@@H]1CN(C)C[C@H](c2nnc(-c3ccc(-n4ccnn4)cc3)o2)O1 ZINC000888078952 590935664 /nfs/dbraw/zinc/93/56/64/590935664.db2.gz MYGOUVJJMWCKFW-BXUZGUMPSA-N 0 0 326.360 1.709 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1[nH]nc2ccc(Cl)cc21 ZINC000888079131 590936108 /nfs/dbraw/zinc/93/61/08/590936108.db2.gz CFQABVXDHCMKPL-OUCADQQQSA-N 0 0 331.763 1.517 10 0 EDAERN O[C@]1(Cc2nc(C3CC3)no2)CCCN(c2nccn3ccnc23)C1 ZINC000894305977 591273004 /nfs/dbraw/zinc/27/30/04/591273004.db2.gz SPVQNMSYIBZNNP-KRWDZBQOSA-N 0 0 340.387 1.564 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1cc(=O)[nH][nH]1 ZINC000898867937 591574129 /nfs/dbraw/zinc/57/41/29/591574129.db2.gz CNMJARANHAECFL-ONGXEEELSA-N 0 0 340.449 1.630 10 0 EDAERN CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000101924280 595263930 /nfs/dbraw/zinc/26/39/30/595263930.db2.gz YABIYIYBYSBLOU-XEHSLEBBSA-N 0 0 326.443 1.450 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC000117813186 595831889 /nfs/dbraw/zinc/83/18/89/595831889.db2.gz XITHXKDUMLSMFW-OAHLLOKOSA-N 0 0 334.326 1.779 10 0 EDAERN Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)C=C4CCCCC4)C3)C2)n1 ZINC000864679574 596305789 /nfs/dbraw/zinc/30/57/89/596305789.db2.gz VRWLWJOMIHPVQZ-CQSZACIVSA-N 0 0 344.415 1.795 10 0 EDAERN Cc1noc(C)c1CC(=O)N1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864842385 596384098 /nfs/dbraw/zinc/38/40/98/596384098.db2.gz HEJDIMKDWBRWMQ-LBPRGKRZSA-N 0 0 345.403 1.412 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cc3ccccc3nn2)CC1 ZINC000888609625 597057432 /nfs/dbraw/zinc/05/74/32/597057432.db2.gz YJMYEOKBGJFPIO-CQSZACIVSA-N 0 0 329.404 1.550 10 0 EDAERN CC[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1 ZINC000126549043 597522641 /nfs/dbraw/zinc/52/26/41/597522641.db2.gz JNKCMSHVHBBTHR-VSGCLNPGSA-N 0 0 346.358 1.931 10 0 EDAERN C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000127500232 597813908 /nfs/dbraw/zinc/81/39/08/597813908.db2.gz LMURBUWUXDDFPA-NHAQELONSA-N 0 0 343.470 1.885 10 0 EDAERN Cc1csc([C@@H]2CCCN(Cn3nnc4c(cnn4C)c3=O)C2)n1 ZINC000132525063 597859987 /nfs/dbraw/zinc/85/99/87/597859987.db2.gz OXVUMJGWBZBOCY-LLVKDONJSA-N 0 0 345.432 1.127 10 0 EDAERN Cn1ncc2c1nnn(CN1CCCC[C@@H]1c1nccs1)c2=O ZINC000132523717 597860027 /nfs/dbraw/zinc/86/00/27/597860027.db2.gz XANLHGAYDQUYMP-LLVKDONJSA-N 0 0 331.405 1.166 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1ccccc1 ZINC000129437675 597861681 /nfs/dbraw/zinc/86/16/81/597861681.db2.gz BKLZJMRNNCXYJK-MARXPDLDSA-N 0 0 348.428 1.850 10 0 EDAERN CCOC(=O)c1cnn(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1 ZINC000133232740 597950417 /nfs/dbraw/zinc/95/04/17/597950417.db2.gz GXBIHGNLMPKATP-INIZCTEOSA-N 0 0 347.419 1.232 10 0 EDAERN O=C([O-])[C@@H]1CC12CC[NH+](CCN1C(=O)c3ccccc3C1=O)CC2 ZINC000405315583 600289071 /nfs/dbraw/zinc/28/90/71/600289071.db2.gz JDLDMTDRXABHTO-AWEZNQCLSA-N 0 0 328.368 1.469 10 0 EDAERN C[C@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)c1cccs1 ZINC000175141018 697678114 /nfs/dbraw/zinc/67/81/14/697678114.db2.gz SOTAOIFJQHQPQI-QMMMGPOBSA-N 0 0 348.384 1.248 10 0 EDAERN CC(C)N(C)C(=O)[C@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175188666 697686350 /nfs/dbraw/zinc/68/63/50/697686350.db2.gz OTAHDJRXZORCOC-WMZOPIPTSA-N 0 0 333.476 1.593 10 0 EDAERN C[C@@H](OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[C@H]1CCOC1 ZINC000175252844 697709619 /nfs/dbraw/zinc/70/96/19/697709619.db2.gz KGHDWBPTNGSLFK-NEPJUHHUSA-N 0 0 332.356 1.048 10 0 EDAERN CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180251026 698700287 /nfs/dbraw/zinc/70/02/87/698700287.db2.gz VEZFPTDDDNZGAE-VXGBXAGGSA-N 0 0 325.453 1.901 10 0 EDAERN CCC1(CC)CN(C(=O)[C@@H](CC(C)C)NC(=O)OC)CC[S@]1=O ZINC000183860312 702710716 /nfs/dbraw/zinc/71/07/16/702710716.db2.gz WLOINZQYQDMJIE-JCQPUDPBSA-N 0 0 346.493 1.907 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CCOc3ccccc3C(=O)[O-])CCO2)c1 ZINC000183935480 702840627 /nfs/dbraw/zinc/84/06/27/702840627.db2.gz RPGDWSVEIZKBLY-HNNXBMFYSA-N 0 0 345.399 1.670 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1)[C@H]1CCCO1 ZINC000186677068 712133143 /nfs/dbraw/zinc/13/31/43/712133143.db2.gz GBSOJDOCRJGODU-DTWKUNHWSA-N 0 0 331.294 1.723 10 0 EDAERN COC[C@@H](O)CN(C)CC(=O)Nc1ccc(Br)cc1 ZINC000050117510 214045961 /nfs/dbraw/zinc/04/59/61/214045961.db2.gz BZTXYCRLJHZNBH-LBPRGKRZSA-N 0 0 331.210 1.327 10 0 EDAERN COc1ccccc1N1C[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000050121111 214046500 /nfs/dbraw/zinc/04/65/00/214046500.db2.gz QXJXPYCAJSKRJX-MGPQQGTHSA-N 0 0 332.400 1.684 10 0 EDAERN CO[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000050373817 214054099 /nfs/dbraw/zinc/05/40/99/214054099.db2.gz WELSDJWPGUIEIS-UWVGGRQHSA-N 0 0 329.809 1.834 10 0 EDAERN C[C@H](NC(=O)c1cc(Br)cnc1N)c1nncn1C ZINC000050705498 214066743 /nfs/dbraw/zinc/06/67/43/214066743.db2.gz QEJTYDSSRKBYQL-LURJTMIESA-N 0 0 325.170 1.046 10 0 EDAERN CCNC(=O)CCN1c2ccc(Br)cc2C(=O)C1=O ZINC000051760327 214103938 /nfs/dbraw/zinc/10/39/38/214103938.db2.gz MUVDLKXKUDHBTN-UHFFFAOYSA-N 0 0 325.162 1.505 10 0 EDAERN CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000053205722 214170391 /nfs/dbraw/zinc/17/03/91/214170391.db2.gz IFCCRASDWPJLFO-JTQLQIEISA-N 0 0 335.832 1.776 10 0 EDAERN CCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cnccn1 ZINC000004709688 210254715 /nfs/dbraw/zinc/25/47/15/210254715.db2.gz VCAWYBYXWHWJGS-UHFFFAOYSA-N 0 0 330.363 1.784 10 0 EDAERN CC[C@@H](C)Oc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000132976030 529384165 /nfs/dbraw/zinc/38/41/65/529384165.db2.gz VOCBKPZNVPDWCK-ZBFHGGJFSA-N 0 0 336.432 1.287 10 0 EDAERN Cc1noc([C@H](C)N2CCN(C(=O)C(=O)Nc3ccsc3)CC2)n1 ZINC000125832575 222615171 /nfs/dbraw/zinc/61/51/71/222615171.db2.gz SPMOORDMFDPCBD-JTQLQIEISA-N 0 0 349.416 1.283 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@@H]43)cc2[nH]1 ZINC000055257435 214298095 /nfs/dbraw/zinc/29/80/95/214298095.db2.gz ONDFUDPAJODGQY-UONOGXRCSA-N 0 0 337.401 1.188 10 0 EDAERN C[C@H](NCc1cn(CCC(N)=O)c2ccccc12)c1nncn1C ZINC000055271268 214299331 /nfs/dbraw/zinc/29/93/31/214299331.db2.gz ZYEJJDYEKNNVAG-LBPRGKRZSA-N 0 0 326.404 1.496 10 0 EDAERN O=C(N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(=O)[nH]c1 ZINC000055459576 214324684 /nfs/dbraw/zinc/32/46/84/214324684.db2.gz SHJASYGUJKBQDQ-MRXNPFEDSA-N 0 0 325.368 1.468 10 0 EDAERN Cc1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1C(N)=O ZINC000173900619 231065082 /nfs/dbraw/zinc/06/50/82/231065082.db2.gz MKMWYFAXWIYZAH-CQSZACIVSA-N 0 0 332.404 1.032 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000173998120 231094773 /nfs/dbraw/zinc/09/47/73/231094773.db2.gz JVJZRFRUCXWISI-CYBMUJFWSA-N 0 0 344.864 1.744 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1C ZINC000174010377 231098201 /nfs/dbraw/zinc/09/82/01/231098201.db2.gz GBPNWBBGJNYMGX-OAHLLOKOSA-N 0 0 331.416 1.175 10 0 EDAERN O=S(=O)(c1cccc2cccnc21)N1CCC[C@H](n2cncn2)C1 ZINC000173984256 231089567 /nfs/dbraw/zinc/08/95/67/231089567.db2.gz HIHQIHGDNUHDJV-AWEZNQCLSA-N 0 0 343.412 1.852 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000056084923 214358098 /nfs/dbraw/zinc/35/80/98/214358098.db2.gz IEADRZWIBHKERR-JTQLQIEISA-N 0 0 343.318 1.756 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)CO ZINC000183913570 529420223 /nfs/dbraw/zinc/42/02/23/529420223.db2.gz VKPPXXJZELRTDQ-YPMHNXCESA-N 0 0 328.359 1.575 10 0 EDAERN Cc1ccccc1[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)[C@@H](C)CO1 ZINC000174749440 231299611 /nfs/dbraw/zinc/29/96/11/231299611.db2.gz VQCHCSBHWFDDFS-JZXOWHBKSA-N 0 0 347.459 1.797 10 0 EDAERN CO[C@]1(C)C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1(C)C ZINC000174812713 231317328 /nfs/dbraw/zinc/31/73/28/231317328.db2.gz ZABSNRFVNNZHBP-QWQRMKEZSA-N 0 0 333.432 1.586 10 0 EDAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000174946481 231352667 /nfs/dbraw/zinc/35/26/67/231352667.db2.gz MMTPOXOAUJIWIB-UHFFFAOYSA-N 0 0 338.371 1.631 10 0 EDAERN CC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC(=O)CC1 ZINC000169861506 529645949 /nfs/dbraw/zinc/64/59/49/529645949.db2.gz WZONOZDCFRJKAR-AWEZNQCLSA-N 0 0 342.392 1.074 10 0 EDAERN COC(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000004632264 210235492 /nfs/dbraw/zinc/23/54/92/210235492.db2.gz GUCHQXCXUUAWTR-DXCKQFNASA-N 0 0 346.339 1.072 10 0 EDAERN CCN(C(=O)c1nnc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000049683483 214026740 /nfs/dbraw/zinc/02/67/40/214026740.db2.gz PDLRVMJDJVYSMU-LBPRGKRZSA-N 0 0 335.385 1.386 10 0 EDAERN O=C(N[C@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000049684252 214025899 /nfs/dbraw/zinc/02/58/99/214025899.db2.gz LWBZHBWGYYPZRG-JTQLQIEISA-N 0 0 341.776 1.307 10 0 EDAERN Cc1c(C(=O)N2CCCCCC2)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000049658265 214024899 /nfs/dbraw/zinc/02/48/99/214024899.db2.gz YUBLHYMGLISIMX-ZDUSSCGKSA-N 0 0 325.434 1.567 10 0 EDAERN CC(C)C[C@H](CO)NC(=O)CSCc1nc2ccccc2c(=O)[nH]1 ZINC000098038132 219073466 /nfs/dbraw/zinc/07/34/66/219073466.db2.gz UJNREVNVSCIPIZ-GFCCVEGCSA-N 0 0 349.456 1.680 10 0 EDAERN CCOC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1cccc(OC)c1 ZINC000058949499 214611275 /nfs/dbraw/zinc/61/12/75/214611275.db2.gz GAJJLPAKXAEKDV-ZDUSSCGKSA-N 0 0 332.356 1.302 10 0 EDAERN CCC(=O)Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000059291124 214615583 /nfs/dbraw/zinc/61/55/83/214615583.db2.gz WQBZZGLYNFPSCR-UHFFFAOYSA-N 0 0 347.396 1.935 10 0 EDAERN CCN1CCN(Cc2cc(Br)ccc2OC)C(=O)C1=O ZINC000049600442 214020894 /nfs/dbraw/zinc/02/08/94/214020894.db2.gz RPJIZJRUEJVPNH-UHFFFAOYSA-N 0 0 341.205 1.648 10 0 EDAERN Nc1cc(Cl)c(F)c(S(=O)(=O)NCCN2CCCCC2)c1 ZINC000049574472 214019742 /nfs/dbraw/zinc/01/97/42/214019742.db2.gz GZBWFGGEDZBXBA-UHFFFAOYSA-N 0 0 335.832 1.826 10 0 EDAERN [NH3+]CCc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCC3)s1 ZINC000049548326 214017956 /nfs/dbraw/zinc/01/79/56/214017956.db2.gz XREWEJIWQUEOQK-UHFFFAOYSA-N 0 0 329.472 1.995 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3cnn(CC(C)C)c3C)CCO2)[nH]1 ZINC000164032891 529699867 /nfs/dbraw/zinc/69/98/67/529699867.db2.gz UXSOHVOPVLNXQX-AWEZNQCLSA-N 0 0 346.435 1.742 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000181858731 529698666 /nfs/dbraw/zinc/69/86/66/529698666.db2.gz GWXVYNWLZZTEHW-IRXDYDNUSA-N 0 0 349.475 1.860 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(NC(C)=O)cc3)CCO2)[nH]1 ZINC000173609981 529701845 /nfs/dbraw/zinc/70/18/45/529701845.db2.gz JZQWYEIIIPNQAW-CQSZACIVSA-N 0 0 343.387 1.539 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000159264264 529700719 /nfs/dbraw/zinc/70/07/19/529700719.db2.gz JZTPCTAENCULRE-HNNXBMFYSA-N 0 0 329.400 1.870 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)Nc3c(C)noc3CC)CCO2)[nH]1 ZINC000154178148 529700801 /nfs/dbraw/zinc/70/08/01/529700801.db2.gz BOVJCQLBDPMWMS-LLVKDONJSA-N 0 0 334.380 1.831 10 0 EDAERN Nc1ccc(Cl)cc1NC(=O)CS(=O)(=O)C1CCOCC1 ZINC000062054944 214695663 /nfs/dbraw/zinc/69/56/63/214695663.db2.gz HPVQMPBODLPYBY-UHFFFAOYSA-N 0 0 332.809 1.455 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC=C1C(=O)NC(=O)c2ccccc21 ZINC000132680075 529750285 /nfs/dbraw/zinc/75/02/85/529750285.db2.gz OMODDPPTRBBGGV-JWAFFJSPSA-N 0 0 337.383 1.576 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000133183405 529750537 /nfs/dbraw/zinc/75/05/37/529750537.db2.gz YYZIJUFUVDSKDP-CYBMUJFWSA-N 0 0 342.403 1.274 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c(C)nn(CC)c1Cl)CC2 ZINC000173767670 529751004 /nfs/dbraw/zinc/75/10/04/529751004.db2.gz MYZFRRIMTDXJFB-JTQLQIEISA-N 0 0 336.827 1.764 10 0 EDAERN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000062274993 214709251 /nfs/dbraw/zinc/70/92/51/214709251.db2.gz CEIXHFMGAXRHEP-QZTJIDSGSA-N 0 0 342.439 1.888 10 0 EDAERN Cc1ccc(N2CCN(CC(=O)N3CCc4[nH]cnc4C3)C2=O)cc1 ZINC000049379828 214004094 /nfs/dbraw/zinc/00/40/94/214004094.db2.gz SJHACQOEBVMOMS-UHFFFAOYSA-N 0 0 339.399 1.545 10 0 EDAERN Cc1ccc(C)c(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177271804 231846047 /nfs/dbraw/zinc/84/60/47/231846047.db2.gz XLSFELGWZYAYAD-FUHWJXTLSA-N 0 0 331.460 1.894 10 0 EDAERN CN(CC1(O)CCOCC1)C(=O)c1ccc(Br)cc1N ZINC000161582815 529858283 /nfs/dbraw/zinc/85/82/83/529858283.db2.gz MUJGXZDMTUMNNE-UHFFFAOYSA-N 0 0 343.221 1.645 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCOc1ccc(Cl)cc1 ZINC000179222576 529902352 /nfs/dbraw/zinc/90/23/52/529902352.db2.gz DLKBMORUWWNRCY-ZDUSSCGKSA-N 0 0 325.796 1.639 10 0 EDAERN O=C(Nc1cccc(-c2nnco2)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177546326 231923417 /nfs/dbraw/zinc/92/34/17/231923417.db2.gz COIHRLRXVYDQQT-OCCSQVGLSA-N 0 0 344.371 1.342 10 0 EDAERN Cc1cc2c(=O)n(CC(=O)NCc3ccccc3)c3cccnc3n2n1 ZINC000065240277 214850280 /nfs/dbraw/zinc/85/02/80/214850280.db2.gz XDEHDWBWEBXIIA-UHFFFAOYSA-N 0 0 347.378 1.669 10 0 EDAERN O=C(c1ccncc1)N1CC[C@@H](Oc2cc(N3CCCC3)ncn2)C1 ZINC000065269384 214858557 /nfs/dbraw/zinc/85/85/57/214858557.db2.gz QLLBUSCGDJTCEL-OAHLLOKOSA-N 0 0 339.399 1.765 10 0 EDAERN CS(=O)(=O)c1cnn(Cc2cccc(N)c2Br)c1 ZINC000725252599 539389215 /nfs/dbraw/zinc/38/92/15/539389215.db2.gz NXFCOEGDHMLQMS-UHFFFAOYSA-N 0 0 330.207 1.680 10 0 EDAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178476215 232182588 /nfs/dbraw/zinc/18/25/88/232182588.db2.gz FRIDTZYCIWNMQI-KUHUBIRLSA-N 0 0 344.411 1.714 10 0 EDAERN Nc1nc(Br)n(Cc2ncccc2Br)n1 ZINC000309115796 539472330 /nfs/dbraw/zinc/47/23/30/539472330.db2.gz QPKYIVSDOQUBNI-UHFFFAOYSA-N 0 0 332.987 1.829 10 0 EDAERN CNC(=O)c1cc(-c2ccc(OC[C@@H]3CCCO3)cc2)nc(N)n1 ZINC000066138612 215015767 /nfs/dbraw/zinc/01/57/67/215015767.db2.gz SXZNLKOTUUMBJN-ZDUSSCGKSA-N 0 0 328.372 1.643 10 0 EDAERN Cc1c(CCC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cnn1C ZINC000179252576 232855439 /nfs/dbraw/zinc/85/54/39/232855439.db2.gz NVNFSBAFVZYOSD-AWEZNQCLSA-N 0 0 330.436 1.507 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCn2ccnc2)[C@H]1c1ccc(F)cc1 ZINC000153079960 282630432 /nfs/dbraw/zinc/63/04/32/282630432.db2.gz NENAKRBAKXDKOX-GDBMZVCRSA-N 0 0 330.363 1.358 10 0 EDAERN Cc1cnn(CCNC(=O)c2cn(-c3ccc(F)cc3C)nn2)c1 ZINC000179554403 233156673 /nfs/dbraw/zinc/15/66/73/233156673.db2.gz WBHKUWQEKATAMJ-UHFFFAOYSA-N 0 0 328.351 1.650 10 0 EDAERN C[N@@H+]1CCCNC(=O)C12CCN(C(=O)CSc1ccccc1)CC2 ZINC000067983059 215266535 /nfs/dbraw/zinc/26/65/35/215266535.db2.gz XYWJCLOMXSCAMO-UHFFFAOYSA-N 0 0 347.484 1.592 10 0 EDAERN C[C@@H](NC(=O)NC[C@@]1(O)CCOC1)c1cccc(-n2ccnc2)c1 ZINC000179609737 233221067 /nfs/dbraw/zinc/22/10/67/233221067.db2.gz QBLHXVZTZKZBOD-DYVFJYSZSA-N 0 0 330.388 1.384 10 0 EDAERN O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000041117381 213418412 /nfs/dbraw/zinc/41/84/12/213418412.db2.gz SLTAEUXEVUVDTM-OLZOCXBDSA-N 0 0 348.365 1.957 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1cccc(N(C)C)n1 ZINC000152201309 539801204 /nfs/dbraw/zinc/80/12/04/539801204.db2.gz IINJYQJREUFRNO-ZDUSSCGKSA-N 0 0 341.415 1.974 10 0 EDAERN Cc1nn(C)c2ncc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)cc12 ZINC000127151685 222801328 /nfs/dbraw/zinc/80/13/28/222801328.db2.gz ZWFPTZBRTGDZCY-CYBMUJFWSA-N 0 0 339.403 1.421 10 0 EDAERN CNC(=O)CCCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000068819139 215336753 /nfs/dbraw/zinc/33/67/53/215336753.db2.gz FFPAKGDDRWDRFB-UHFFFAOYSA-N 0 0 343.152 1.644 10 0 EDAERN Nc1c(-n2nnc3ccccc32)ncnc1-n1nnc2ccccc21 ZINC000040802410 213389006 /nfs/dbraw/zinc/38/90/06/213389006.db2.gz BNSSSBRBORRWRM-UHFFFAOYSA-N 0 0 329.327 1.527 10 0 EDAERN CCn1c2ccc(S(=O)(=O)N3[C@@H](C)COC[C@@H]3C)cc2oc1=O ZINC000040669985 213366184 /nfs/dbraw/zinc/36/61/84/213366184.db2.gz ZDAMJDURWTXFSU-QWRGUYRKSA-N 0 0 340.401 1.412 10 0 EDAERN CC(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000040623699 213359698 /nfs/dbraw/zinc/35/96/98/213359698.db2.gz DYJGBJVOWUBUKG-JTQLQIEISA-N 0 0 332.447 1.455 10 0 EDAERN Cc1nc(NC(=O)c2cccc(F)c2F)sc1S(N)(=O)=O ZINC000069367424 215389229 /nfs/dbraw/zinc/38/92/29/215389229.db2.gz ZMYHYDQXMDPSPS-UHFFFAOYSA-N 0 0 333.341 1.629 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1Cc2ccccc21 ZINC000153224554 539858350 /nfs/dbraw/zinc/85/83/50/539858350.db2.gz BZVYIPJHFMELQL-UKRRQHHQSA-N 0 0 341.415 1.899 10 0 EDAERN Cn1cc([C@H]2[C@H](C(=O)Nc3ncccc3O)CCC(=O)N2C)cn1 ZINC000181001376 234058599 /nfs/dbraw/zinc/05/85/99/234058599.db2.gz AUWKSKYNCBOHRU-RISCZKNCSA-N 0 0 329.360 1.069 10 0 EDAERN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000127300863 222822171 /nfs/dbraw/zinc/82/21/71/222822171.db2.gz MLQNOPRTANFDLU-GDBMZVCRSA-N 0 0 339.457 1.690 10 0 EDAERN CSCCCNS(=O)(=O)c1ccc2[nH]c(=NN)ccc2c1 ZINC000069456797 215428592 /nfs/dbraw/zinc/42/85/92/215428592.db2.gz XYZZVGDNWBDWSA-UHFFFAOYSA-N 0 0 326.447 1.552 10 0 EDAERN CCCn1c(N)c(NC(=O)c2ccc(N)cc2)c(=O)n(CCC)c1=O ZINC000039125205 213231635 /nfs/dbraw/zinc/23/16/35/213231635.db2.gz WZINYHZEZOMISA-UHFFFAOYSA-N 0 0 345.403 1.247 10 0 EDAERN CNC(=O)c1ccsc1NC(=O)Cn1c(=O)oc2ccccc21 ZINC000038828593 213226960 /nfs/dbraw/zinc/22/69/60/213226960.db2.gz ZARRREVUAZBJBG-UHFFFAOYSA-N 0 0 331.353 1.654 10 0 EDAERN Cc1cc(NC(=O)c2ccc(=O)oc2)n(-c2nc(C)cc(=O)[nH]2)n1 ZINC000038740328 213223574 /nfs/dbraw/zinc/22/35/74/213223574.db2.gz BLAYBGGGOMFKHA-UHFFFAOYSA-N 0 0 327.300 1.190 10 0 EDAERN COc1ccc(NC(C)=O)cc1NC(=O)Cn1cnc(C)cc1=O ZINC000038509564 213212137 /nfs/dbraw/zinc/21/21/37/213212137.db2.gz IBQRCZQKHKBTJC-UHFFFAOYSA-N 0 0 330.344 1.157 10 0 EDAERN C[C@@H](CNC(=O)NCCc1nn(C)c2ccccc12)N1CCOCC1 ZINC000187333882 540154357 /nfs/dbraw/zinc/15/43/57/540154357.db2.gz WAKAEQAJBJXLJN-AWEZNQCLSA-N 0 0 345.447 1.136 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000193309189 540182548 /nfs/dbraw/zinc/18/25/48/540182548.db2.gz JAIOBRYQJRYLGV-HYEYJGRESA-N 0 0 334.391 1.512 10 0 EDAERN COc1ccc([C@H](C(=O)[O-])N2CCC[NH2+]CC2)cc1Br ZINC000038052436 213198505 /nfs/dbraw/zinc/19/85/05/213198505.db2.gz XGRVNILPHXQRMD-CYBMUJFWSA-N 0 0 343.221 1.879 10 0 EDAERN C[C@H](NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCO1 ZINC000128696958 222979433 /nfs/dbraw/zinc/97/94/33/222979433.db2.gz VZLSRNHLYAVHPX-GWCFXTLKSA-N 0 0 347.383 1.909 10 0 EDAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000105883478 219576228 /nfs/dbraw/zinc/57/62/28/219576228.db2.gz BNDKUUPELUVPPQ-GFCCVEGCSA-N 0 0 349.341 1.150 10 0 EDAERN C[C@H](CS(C)(=O)=O)N(C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000069867445 138202121 /nfs/dbraw/zinc/20/21/21/138202121.db2.gz CWWOIBZDSYDXLY-DOMZBBRYSA-N 0 0 349.880 1.582 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)CCS1 ZINC000077748824 138254462 /nfs/dbraw/zinc/25/44/62/138254462.db2.gz MCSOQWAPFYUCMK-NSHDSACASA-N 0 0 338.477 1.911 10 0 EDAERN CCOCc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077938263 138256023 /nfs/dbraw/zinc/25/60/23/138256023.db2.gz IHYVKXBZUZKKJH-GDBMZVCRSA-N 0 0 334.416 1.829 10 0 EDAERN O=C(c1cccc(Cl)c1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856665 138269479 /nfs/dbraw/zinc/26/94/79/138269479.db2.gz QKEJOWAVNFMOIT-ZDUSSCGKSA-N 0 0 328.155 1.418 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cccnc2OCC(F)F)C1 ZINC000089757729 138274930 /nfs/dbraw/zinc/27/49/30/138274930.db2.gz RUBWHTQSLJSDKE-LLVKDONJSA-N 0 0 327.331 1.466 10 0 EDAERN CCc1nnc(CS(=O)(=O)CC(=O)N2[C@H](C)CCC[C@@H]2C)n1C ZINC000091049663 138281546 /nfs/dbraw/zinc/28/15/46/138281546.db2.gz SFRYCPQYNRQAPV-TXEJJXNPSA-N 0 0 342.465 1.082 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2C(C)=O)C1 ZINC000104388143 138299865 /nfs/dbraw/zinc/29/98/65/138299865.db2.gz HRIFPRGGLFASCW-IAGOWNOFSA-N 0 0 344.411 1.371 10 0 EDAERN Cc1ccsc1CNC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105800071 138301803 /nfs/dbraw/zinc/30/18/03/138301803.db2.gz GWVHHSWZFUQUNL-UHFFFAOYSA-N 0 0 345.472 1.675 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000120017417 138314907 /nfs/dbraw/zinc/31/49/07/138314907.db2.gz PAUFDQKPQNLCHV-UHFFFAOYSA-N 0 0 338.408 1.002 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110875560 138307310 /nfs/dbraw/zinc/30/73/10/138307310.db2.gz GVNIICHOOYTDKP-LBPRGKRZSA-N 0 0 346.474 1.504 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1nc(C(C)C)no1)CC2 ZINC000114872601 138310847 /nfs/dbraw/zinc/31/08/47/138310847.db2.gz BMJGRAIYMUNKJI-LLVKDONJSA-N 0 0 332.408 1.411 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)Cc3ccccc3)C2)cn1 ZINC000116230768 138311628 /nfs/dbraw/zinc/31/16/28/138311628.db2.gz BWGICGXNAKUPCT-HNNXBMFYSA-N 0 0 326.400 1.095 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 ZINC000124513888 138327270 /nfs/dbraw/zinc/32/72/70/138327270.db2.gz NNPMOKIRLWFUAN-WFASDCNBSA-N 0 0 328.372 1.495 10 0 EDAERN CN(C(=O)c1cccc2c1OCO2)[C@H]1CCCN(c2cccnn2)C1 ZINC000122032693 138317957 /nfs/dbraw/zinc/31/79/57/138317957.db2.gz RSTUNJSHVVXHIJ-ZDUSSCGKSA-N 0 0 340.383 1.946 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)O1 ZINC000125089049 138332082 /nfs/dbraw/zinc/33/20/82/138332082.db2.gz NKPXDRJNJZTBCG-HOCLYGCPSA-N 0 0 328.416 1.546 10 0 EDAERN Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000037856238 213171634 /nfs/dbraw/zinc/17/16/34/213171634.db2.gz NMXMNHXWAMVBKT-UHFFFAOYSA-N 0 0 328.371 1.729 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)C3(CCOC)CCCC3)CCO2)[nH]1 ZINC000133126745 138388827 /nfs/dbraw/zinc/38/88/27/138388827.db2.gz ZDTBYNFQKBQIQC-ZDUSSCGKSA-N 0 0 336.436 1.864 10 0 EDAERN Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)c(Br)c1 ZINC000037053091 213131119 /nfs/dbraw/zinc/13/11/19/213131119.db2.gz FIEXXUSDFBLSHC-SECBINFHSA-N 0 0 335.223 1.489 10 0 EDAERN Cn1ccnc1CC1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000128982292 223008517 /nfs/dbraw/zinc/00/85/17/223008517.db2.gz PBHUOQBMACCCON-CQSZACIVSA-N 0 0 343.435 1.511 10 0 EDAERN NC(=O)CN1CCC(C(=O)N2CC[C@H](c3ccccc3F)C2)CC1 ZINC000091657263 283288070 /nfs/dbraw/zinc/28/80/70/283288070.db2.gz QRKZWTQOCSQQIE-AWEZNQCLSA-N 0 0 333.407 1.339 10 0 EDAERN CCOC(=O)c1nc2ccc(N)cn2c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000036277655 213081344 /nfs/dbraw/zinc/08/13/44/213081344.db2.gz NIPFGICEERHJKH-TXEJJXNPSA-N 0 0 332.404 1.702 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000187200720 236144453 /nfs/dbraw/zinc/14/44/53/236144453.db2.gz NWGOERHFUKQQMG-AWEZNQCLSA-N 0 0 328.420 1.225 10 0 EDAERN O=C(NC1CN(C(=O)NCc2coc(-c3ccccc3)n2)C1)C1CC1 ZINC000187276277 236165558 /nfs/dbraw/zinc/16/55/58/236165558.db2.gz ZZYWUHRQTCSXBO-UHFFFAOYSA-N 0 0 340.383 1.762 10 0 EDAERN O=C(c1c(F)cccc1Cl)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000036107495 213069466 /nfs/dbraw/zinc/06/94/66/213069466.db2.gz UOMIJCBZCOZDJU-ZDUSSCGKSA-N 0 0 340.782 1.943 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)no1 ZINC000036100897 213067828 /nfs/dbraw/zinc/06/78/28/213067828.db2.gz BUGOGDCARGNAFI-JTQLQIEISA-N 0 0 341.364 1.736 10 0 EDAERN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000187615748 236260635 /nfs/dbraw/zinc/26/06/35/236260635.db2.gz OPLOLOINRNVUKY-SMDDNHRTSA-N 0 0 346.349 1.920 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)C1CC1 ZINC000187920095 236340209 /nfs/dbraw/zinc/34/02/09/236340209.db2.gz GFQMFOUOXZEANT-UHFFFAOYSA-N 0 0 349.239 1.893 10 0 EDAERN Cc1c(Cl)cccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188018890 236386421 /nfs/dbraw/zinc/38/64/21/236386421.db2.gz HSJKGHNBTDYCFD-UHFFFAOYSA-N 0 0 349.818 1.714 10 0 EDAERN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cccs2)ccc1C(N)=O ZINC000171456993 138656969 /nfs/dbraw/zinc/65/69/69/138656969.db2.gz QZGXQKFHWIUJJU-JTQLQIEISA-N 0 0 331.397 1.971 10 0 EDAERN CCCS(=O)(=O)N[C@H](C)C(=O)Nc1ccsc1C(=O)OC ZINC000035163785 213011647 /nfs/dbraw/zinc/01/16/47/213011647.db2.gz GHGCBBBCEXEOFZ-MRVPVSSYSA-N 0 0 334.419 1.191 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCN(C)c3ccccc3)CCO2)[nH]1 ZINC000175335283 138694302 /nfs/dbraw/zinc/69/43/02/138694302.db2.gz PBQAUUKUWPXFAT-HNNXBMFYSA-N 0 0 344.419 1.332 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000175597743 138697621 /nfs/dbraw/zinc/69/76/21/138697621.db2.gz LFQFCMDVFZRDIC-GDBMZVCRSA-N 0 0 333.432 1.889 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1nnc(C(C)C)o1)CC2 ZINC000176842542 138713361 /nfs/dbraw/zinc/71/33/61/138713361.db2.gz TZGMAJIJPHEFKZ-NSHDSACASA-N 0 0 332.408 1.411 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1)CC2 ZINC000177641232 138732311 /nfs/dbraw/zinc/73/23/11/138732311.db2.gz PIHFRZKENMNOGZ-LBPRGKRZSA-N 0 0 347.806 1.564 10 0 EDAERN C[C@@H](NC(=O)NCCNC(=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000178708982 138744659 /nfs/dbraw/zinc/74/46/59/138744659.db2.gz MJKDRJTYJXFSCZ-LLVKDONJSA-N 0 0 336.440 1.137 10 0 EDAERN NC(=O)c1ccc(-c2nnn(C[C@@H]3OCCc4ccccc43)n2)cc1 ZINC000071908493 215950439 /nfs/dbraw/zinc/95/04/39/215950439.db2.gz DCBCQBHENKCRCA-INIZCTEOSA-N 0 0 335.367 1.753 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)Cc1ccccc1)CC2 ZINC000181729235 138771156 /nfs/dbraw/zinc/77/11/56/138771156.db2.gz KUJKCYYEWZNPIY-AWEZNQCLSA-N 0 0 334.445 1.836 10 0 EDAERN C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091779522 296000147 /nfs/dbraw/zinc/00/01/47/296000147.db2.gz DYSYMKQFZJLTLK-GXFFZTMASA-N 0 0 326.393 1.267 10 0 EDAERN [NH3+][C@@H](CCSCC(=O)Nc1ccc(Br)cn1)C(=O)[O-] ZINC000037736189 213164736 /nfs/dbraw/zinc/16/47/36/213164736.db2.gz FQNPYMBGDCQWFI-QMMMGPOBSA-N 0 0 348.222 1.318 10 0 EDAERN COc1ccc(CNC(=O)CN2CCOC[C@@H]2c2nc(C)no2)cc1 ZINC000185068135 138800758 /nfs/dbraw/zinc/80/07/58/138800758.db2.gz VWCAIQMPQFPSFJ-OAHLLOKOSA-N 0 0 346.387 1.076 10 0 EDAERN Nc1nc(N2CCCC2)[nH]c(=O)c1C(=S)Nc1ccccc1F ZINC000072450619 216238889 /nfs/dbraw/zinc/23/88/89/216238889.db2.gz CODSSSKTWGVTQJ-UHFFFAOYSA-N 0 0 333.392 1.879 10 0 EDAERN CCOC(=O)N1CCN(c2nccc(-c3cn(C)nc3C)n2)CC1 ZINC000072462175 216244497 /nfs/dbraw/zinc/24/44/97/216244497.db2.gz IRJKFTZRUFEXBM-UHFFFAOYSA-N 0 0 330.392 1.464 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N(C)CC2(O)CCCC2)C12CCOCC2 ZINC000185678000 138807709 /nfs/dbraw/zinc/80/77/09/138807709.db2.gz ZKMCVNJTKMKWCJ-HUUCEWRRSA-N 0 0 340.464 1.907 10 0 EDAERN COC(=O)c1cnn2c1nnc1c2ccn(-c2cc(C)cc(C)c2)c1=O ZINC000072466141 216248009 /nfs/dbraw/zinc/24/80/09/216248009.db2.gz SAKSSMLZCHGJQK-UHFFFAOYSA-N 0 0 349.350 1.832 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCCCCCCO)C12CCOCC2 ZINC000185963815 138811390 /nfs/dbraw/zinc/81/13/90/138811390.db2.gz OKWCDTLZWYERAN-LSDHHAIUSA-N 0 0 328.453 1.813 10 0 EDAERN Cc1cc(=O)c(C(=O)N[C@H]2CCCC[C@H]2O)nn1-c1ccccc1 ZINC000130741818 223173206 /nfs/dbraw/zinc/17/32/06/223173206.db2.gz SNGNAYHKMSFDTD-LSDHHAIUSA-N 0 0 327.384 1.574 10 0 EDAERN Cc1ccc(C2(C(=O)N3CCCNC(=O)[C@H]3C)CCOCC2)cc1 ZINC000189234319 138864768 /nfs/dbraw/zinc/86/47/68/138864768.db2.gz MKSOTYLLQAUWSC-OAHLLOKOSA-N 0 0 330.428 1.780 10 0 EDAERN Cc1ccc(Cn2cccc(NC(=O)[C@@H]3CNC(=O)C3)c2=O)cc1 ZINC000132509915 223338322 /nfs/dbraw/zinc/33/83/22/223338322.db2.gz FXCBOSGLUDVTEE-AWEZNQCLSA-N 0 0 325.368 1.280 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000021519115 212227309 /nfs/dbraw/zinc/22/73/09/212227309.db2.gz VDUSUURIIUICDC-UHFFFAOYSA-N 0 0 326.468 1.903 10 0 EDAERN Cc1ccccc1N1C[C@H](C(=O)N2CCC(C(N)=O)CC2)CC1=O ZINC000021347934 212221397 /nfs/dbraw/zinc/22/13/97/212221397.db2.gz XKNQAYKFFWESCM-CQSZACIVSA-N 0 0 329.400 1.072 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)C1 ZINC000190241515 138887658 /nfs/dbraw/zinc/88/76/58/138887658.db2.gz VZQTZEYCBYOLDQ-CYBMUJFWSA-N 0 0 336.823 1.449 10 0 EDAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c[nH]c(=O)[nH]c1=O ZINC000021026950 212200212 /nfs/dbraw/zinc/20/02/12/212200212.db2.gz RWJFSQMZZISMAP-LURJTMIESA-N 0 0 344.154 1.776 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000190678066 138895186 /nfs/dbraw/zinc/89/51/86/138895186.db2.gz DWCQBQFNVACXIQ-QMMMGPOBSA-N 0 0 344.198 1.669 10 0 EDAERN CCC(=O)Nc1ccc(OC)c(CN2C(=O)[C@@H]3CCCN3C2=O)c1 ZINC000020529814 212143586 /nfs/dbraw/zinc/14/35/86/212143586.db2.gz NEMYTPRUUVCDMZ-ZDUSSCGKSA-N 0 0 331.372 1.970 10 0 EDAERN O=C(NCCCN1CCOCC1)c1cccc2c1SCCC2=O ZINC000020489179 212138269 /nfs/dbraw/zinc/13/82/69/212138269.db2.gz RWMCXAQWXLBZNK-UHFFFAOYSA-N 0 0 334.441 1.817 10 0 EDAERN Cc1c(C(N)=O)sc2ncn(CC(=O)OCCC(C)C)c(=O)c12 ZINC000019990663 212092871 /nfs/dbraw/zinc/09/28/71/212092871.db2.gz SILPZKJZSUSLID-UHFFFAOYSA-N 0 0 337.401 1.455 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000134535794 223506423 /nfs/dbraw/zinc/50/64/23/223506423.db2.gz ASEGFOALYZRNDH-LBPRGKRZSA-N 0 0 348.428 1.043 10 0 EDAERN Cn1c2ccccc2nc1[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000194819124 139000690 /nfs/dbraw/zinc/00/06/90/139000690.db2.gz UFXJPVAMZOKTDA-KSSFIOAISA-N 0 0 348.406 1.915 10 0 EDAERN O=C(NCc1cscn1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000195338123 139015024 /nfs/dbraw/zinc/01/50/24/139015024.db2.gz DUQJBDGIMYNKHN-GFCCVEGCSA-N 0 0 337.426 1.861 10 0 EDAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCCC1 ZINC000195519879 139019609 /nfs/dbraw/zinc/01/96/09/139019609.db2.gz UEBXOPMRUJJNHB-LBPRGKRZSA-N 0 0 327.450 1.655 10 0 EDAERN CC(C)c1nnc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)o1 ZINC000049705755 214027817 /nfs/dbraw/zinc/02/78/17/214027817.db2.gz RHJAYEARFDTTRC-UHFFFAOYSA-N 0 0 342.399 1.720 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cccc(Cl)n3)CC2)n1 ZINC000110893109 220076786 /nfs/dbraw/zinc/07/67/86/220076786.db2.gz ATUWSUJRDJXMLJ-SNVBAGLBSA-N 0 0 335.795 1.945 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 ZINC000110902656 220077456 /nfs/dbraw/zinc/07/74/56/220077456.db2.gz OKPAOOJLUQDMGL-HNNXBMFYSA-N 0 0 347.390 1.945 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)CSc3ccncc3)CCO2)n1 ZINC000110903849 220077468 /nfs/dbraw/zinc/07/74/68/220077468.db2.gz HUIMGWVZEOMDJL-HNNXBMFYSA-N 0 0 346.456 1.915 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 ZINC000110904018 220078067 /nfs/dbraw/zinc/07/80/67/220078067.db2.gz VVYHNRRKTHATLJ-KRWDZBQOSA-N 0 0 347.390 1.945 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](CC)O[C@@H](C)C1 ZINC000111009594 220091509 /nfs/dbraw/zinc/09/15/09/220091509.db2.gz CRFSSDFVPOVDFS-BFHYXJOUSA-N 0 0 332.466 1.217 10 0 EDAERN CCOc1ccc(CC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111086019 220098716 /nfs/dbraw/zinc/09/87/16/220098716.db2.gz WPMOZNOUDLLIOE-QGZVFWFLSA-N 0 0 329.400 1.752 10 0 EDAERN Cc1cccc(O[C@@H](C)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111084472 220097799 /nfs/dbraw/zinc/09/77/99/220097799.db2.gz ROUNHHNRJYSLEP-DOTOQJQBSA-N 0 0 329.400 1.886 10 0 EDAERN COc1ccc([C@@H](C)C(=O)NCc2cccc(OCC(N)=O)c2)cc1 ZINC000080963718 217345270 /nfs/dbraw/zinc/34/52/70/217345270.db2.gz DKNVCZZZOKQGTK-CYBMUJFWSA-N 0 0 342.395 1.979 10 0 EDAERN Cn1cc(CCCNC(=O)N2CCO[C@@H](c3nccs3)C2)cn1 ZINC000111851930 220207498 /nfs/dbraw/zinc/20/74/98/220207498.db2.gz QWRBVUVNQNQHSE-CYBMUJFWSA-N 0 0 335.433 1.592 10 0 EDAERN Cc1nc(C)c(CCNC(=O)N2CCO[C@H](Cn3cccn3)C2)s1 ZINC000111862377 220212216 /nfs/dbraw/zinc/21/22/16/220212216.db2.gz KGXBIQOHKAVSNW-AWEZNQCLSA-N 0 0 349.460 1.610 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000081584620 217423330 /nfs/dbraw/zinc/42/33/30/217423330.db2.gz JJKRIYJIIWFFSS-AWEZNQCLSA-N 0 0 327.388 1.553 10 0 EDAERN CCc1[nH]c(C(=O)N[C@H]2CCCn3nc(C)nc32)c(C)c1C(=O)OC ZINC000081587065 217423724 /nfs/dbraw/zinc/42/37/24/217423724.db2.gz ISYBFTKXTSHSQH-LBPRGKRZSA-N 0 0 345.403 1.837 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccccc3F)CCO2)c1 ZINC000112063385 220236123 /nfs/dbraw/zinc/23/61/23/220236123.db2.gz GYORZRLYVJOJEF-AWEZNQCLSA-N 0 0 333.363 1.637 10 0 EDAERN COc1cccc(OCC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112062214 220236183 /nfs/dbraw/zinc/23/61/83/220236183.db2.gz AXYVSVYDEBCNIF-QGZVFWFLSA-N 0 0 345.399 1.507 10 0 EDAERN CN1CC[C@H](NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)C1=O ZINC000245588163 139080287 /nfs/dbraw/zinc/08/02/87/139080287.db2.gz ARDFTVYTNJUHGQ-HRCADAONSA-N 0 0 331.416 1.515 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc(C(N)=O)cc3)CCO2)c1 ZINC000112104161 220243114 /nfs/dbraw/zinc/24/31/14/220243114.db2.gz PBTKLTXLBWBAHU-HNNXBMFYSA-N 0 0 343.387 1.223 10 0 EDAERN CCCNS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)OCC)cc1 ZINC000013995994 211668155 /nfs/dbraw/zinc/66/81/55/211668155.db2.gz ARINNYVMUUXKMZ-MDZDMXLPSA-N 0 0 340.401 1.433 10 0 EDAERN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C)O1)N1CCN(c2ccccc2)CC1 ZINC000245961324 139091143 /nfs/dbraw/zinc/09/11/43/139091143.db2.gz CTWXQLNVQSBKME-LZLYRXPVSA-N 0 0 331.460 1.881 10 0 EDAERN C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1)n1cncn1 ZINC000245966038 139091354 /nfs/dbraw/zinc/09/13/54/139091354.db2.gz DRVATXNVRRSXRZ-XUJVJEKNSA-N 0 0 343.387 1.984 10 0 EDAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000084524637 217611057 /nfs/dbraw/zinc/61/10/57/217611057.db2.gz BNXOEVBHXGFFIL-BXKDBHETSA-N 0 0 330.406 1.136 10 0 EDAERN C[C@@H]1CCCN(c2cc(N3CCO[C@@H](Cn4cccn4)C3)ncn2)C1 ZINC000246239421 139100639 /nfs/dbraw/zinc/10/06/39/139100639.db2.gz IPVUQRUGKDJGME-HZPDHXFCSA-N 0 0 342.447 1.815 10 0 EDAERN CN(C)S(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246508169 139111174 /nfs/dbraw/zinc/11/11/74/139111174.db2.gz BNRFHNSPXFQRSE-NEPJUHHUSA-N 0 0 338.351 1.620 10 0 EDAERN Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000246624506 139115618 /nfs/dbraw/zinc/11/56/18/139115618.db2.gz YCYJECLHQIXYAK-HIFRSBDPSA-N 0 0 342.436 1.475 10 0 EDAERN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246937774 139127651 /nfs/dbraw/zinc/12/76/51/139127651.db2.gz JUQKWCUOWNNIGU-ZHALLVOQSA-N 0 0 345.487 1.701 10 0 EDAERN CCOCCN1CCN(C(=O)CSC[C@H]2CCCCO2)C[C@@H]1C ZINC000247022833 139131781 /nfs/dbraw/zinc/13/17/81/139131781.db2.gz HVNASOPWQOSGKR-JKSUJKDBSA-N 0 0 344.521 1.858 10 0 EDAERN C[C@H](O)C[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000247771143 139154993 /nfs/dbraw/zinc/15/49/93/139154993.db2.gz WCYIAHXUNPBUMI-XYJFISCASA-N 0 0 349.475 1.561 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)NCCCO)c2cccs2)CCO1 ZINC000248342656 139160439 /nfs/dbraw/zinc/16/04/39/139160439.db2.gz JQUIFJXMJISNKS-QWHCGFSZSA-N 0 0 327.450 1.192 10 0 EDAERN CCCCOC(=O)[C@@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000012127272 211300013 /nfs/dbraw/zinc/30/00/13/211300013.db2.gz BRHPJHWNEZZZDI-SECBINFHSA-N 0 0 337.401 1.770 10 0 EDAERN CCN(C(=O)c1ccc(Cn2ccnc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000091381598 218000320 /nfs/dbraw/zinc/00/03/20/218000320.db2.gz UUAFCVYISUERSA-GFCCVEGCSA-N 0 0 337.401 1.174 10 0 EDAERN CCn1cc(C(=O)C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 ZINC000091776415 218064526 /nfs/dbraw/zinc/06/45/26/218064526.db2.gz QGHRULXHJQSRBC-IUODEOHRSA-N 0 0 349.337 1.698 10 0 EDAERN CCn1cc([C@H]2CN([C@H](C)C(=O)NCC(F)(F)F)CCO2)cn1 ZINC000248807480 139176036 /nfs/dbraw/zinc/17/60/36/139176036.db2.gz RVHTYQJNJPQEPY-ZYHUDNBSSA-N 0 0 334.342 1.343 10 0 EDAERN COCCN1CCN(C(=O)NCCC[C@H]2CCCCO2)C[C@@H]1C ZINC000248893774 139179630 /nfs/dbraw/zinc/17/96/30/139179630.db2.gz UCKXPADHMMYYDB-JKSUJKDBSA-N 0 0 327.469 1.698 10 0 EDAERN C[C@H](c1nnnn1C1CC1)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248916093 139180496 /nfs/dbraw/zinc/18/04/96/139180496.db2.gz ZROKVHOXJXKMBU-OCCSQVGLSA-N 0 0 328.424 1.460 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000248926960 139180835 /nfs/dbraw/zinc/18/08/35/139180835.db2.gz GCEMOQMXZLTJOB-JHJVBQTASA-N 0 0 349.456 1.809 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)c1c(C)nn(C)c1C ZINC000249343744 139191576 /nfs/dbraw/zinc/19/15/76/139191576.db2.gz TYBYLPWCJKCFFB-MJBXVCDLSA-N 0 0 347.415 1.552 10 0 EDAERN Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093883631 218255497 /nfs/dbraw/zinc/25/54/97/218255497.db2.gz WIEZJGCWYTYXSX-HOCLYGCPSA-N 0 0 348.353 1.597 10 0 EDAERN CN(CCS(C)(=O)=O)C(=O)c1ccc(Br)cc1N ZINC000094301435 218267857 /nfs/dbraw/zinc/26/78/57/218267857.db2.gz URCYVSDUEIJNLZ-UHFFFAOYSA-N 0 0 335.223 1.148 10 0 EDAERN COC[C@@H]1CN(C(=O)N[C@H](C)c2nnc3n2CCCC3)C[C@H](C)O1 ZINC000251517317 139201643 /nfs/dbraw/zinc/20/16/43/139201643.db2.gz CMBKPSAQIFPIFO-XQQFMLRXSA-N 0 0 337.424 1.121 10 0 EDAERN O=C(c1cccc2c1OCC(=O)N2)N1CCNC[C@H]1c1cccnc1 ZINC000261670630 139216045 /nfs/dbraw/zinc/21/60/45/139216045.db2.gz BHTJXKJQMKCINP-HNNXBMFYSA-N 0 0 338.367 1.199 10 0 EDAERN CN[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C)c1cnn(C)c1 ZINC000262362585 139273388 /nfs/dbraw/zinc/27/33/88/139273388.db2.gz KQCPEDVSHWDOLP-XHDPSFHLSA-N 0 0 326.404 1.445 10 0 EDAERN COCCN1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC000187681807 532971466 /nfs/dbraw/zinc/97/14/66/532971466.db2.gz JHXDJWZRHKOBAY-GJZGRUSLSA-N 0 0 340.489 1.804 10 0 EDAERN CC(C)S(=O)(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000112334742 220304817 /nfs/dbraw/zinc/30/48/17/220304817.db2.gz FRUXULCNKNWMEX-UHFFFAOYSA-N 0 0 326.827 1.862 10 0 EDAERN Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCOCC4)c3c2c1 ZINC000004961741 210340239 /nfs/dbraw/zinc/34/02/39/210340239.db2.gz SOFMNOIUCSREPB-UHFFFAOYSA-N 0 0 327.340 1.310 10 0 EDAERN O=C1NC[C@@H]2CN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CCN12 ZINC000091676386 296379407 /nfs/dbraw/zinc/37/94/07/296379407.db2.gz YHPVTLQVCPOJBK-KGLIPLIRSA-N 0 0 334.807 1.542 10 0 EDAERN CC(=O)c1cccc(OCCCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112647082 220362876 /nfs/dbraw/zinc/36/28/76/220362876.db2.gz YBQJDXLAYBIWGU-OAHLLOKOSA-N 0 0 342.399 1.771 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000112656893 220365969 /nfs/dbraw/zinc/36/59/69/220365969.db2.gz MYMKMXXXVFSCIT-GFCCVEGCSA-N 0 0 346.822 1.672 10 0 EDAERN O=C(COc1ccc(C(F)(F)F)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112657402 220367458 /nfs/dbraw/zinc/36/74/58/220367458.db2.gz USDIQEZEXNMTIO-NSHDSACASA-N 0 0 340.305 1.807 10 0 EDAERN COC(=O)C(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000160260383 533126498 /nfs/dbraw/zinc/12/64/98/533126498.db2.gz DXTGYTGYMMDZIL-UHFFFAOYSA-N 0 0 326.146 1.714 10 0 EDAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113895238 220605287 /nfs/dbraw/zinc/60/52/87/220605287.db2.gz HNUVHUIRUAINPA-HNNXBMFYSA-N 0 0 337.383 1.873 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nnc2n1CCCC2 ZINC000153438176 533195971 /nfs/dbraw/zinc/19/59/71/533195971.db2.gz GEZLYRQSVQLDHN-VXGBXAGGSA-N 0 0 348.451 1.374 10 0 EDAERN NS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2ccco2)c1 ZINC000116294227 220949373 /nfs/dbraw/zinc/94/93/73/220949373.db2.gz OHSHRBOMTIAKHU-AWEZNQCLSA-N 0 0 349.412 1.703 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116370523 220956268 /nfs/dbraw/zinc/95/62/68/220956268.db2.gz HDNHOVNZSCSSOC-ZDUSSCGKSA-N 0 0 348.428 1.557 10 0 EDAERN Cn1cc([C@@H]2CCCN2C(=O)NCC[S@@](=O)C(C)(C)C)cn1 ZINC000116968248 221018165 /nfs/dbraw/zinc/01/81/65/221018165.db2.gz RGMKMTVHGJKXNO-XMHCIUCPSA-N 0 0 326.466 1.814 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@@H]1C ZINC000117437657 221062376 /nfs/dbraw/zinc/06/23/76/221062376.db2.gz AKDSLXXZOZQSDO-AWEZNQCLSA-N 0 0 348.447 1.573 10 0 EDAERN CCOCCN1CCN(C(=O)CSCc2ccncc2)C[C@@H]1C ZINC000117278367 221041588 /nfs/dbraw/zinc/04/15/88/221041588.db2.gz PGIOYHUXZNSEDY-HNNXBMFYSA-N 0 0 337.489 1.884 10 0 EDAERN COCCN1CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C[C@H]1C ZINC000117285772 221043290 /nfs/dbraw/zinc/04/32/90/221043290.db2.gz LJPIGDRWQLYPQG-NVXWUHKLSA-N 0 0 341.496 1.352 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)cc2)CCN1CCOC ZINC000117301026 221049766 /nfs/dbraw/zinc/04/97/66/221049766.db2.gz TYJORICDFXFAHT-GOSISDBHSA-N 0 0 347.459 1.506 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CCN1CCOC ZINC000117309845 221050606 /nfs/dbraw/zinc/05/06/06/221050606.db2.gz XXYAGKURWLQSEU-KRWDZBQOSA-N 0 0 347.459 1.571 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)c1 ZINC000117817287 221093144 /nfs/dbraw/zinc/09/31/44/221093144.db2.gz JOQPKANXSRZGTO-OGVSOVDVSA-N 0 0 332.448 1.735 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000117927136 221100559 /nfs/dbraw/zinc/10/05/59/221100559.db2.gz LHDDHVXBCWUEGD-UHFFFAOYSA-N 0 0 331.344 1.771 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2cccc(N3CCCC3=O)c2)c1 ZINC000118060698 221110475 /nfs/dbraw/zinc/11/04/75/221110475.db2.gz LGNWSFUFBQFVAS-UHFFFAOYSA-N 0 0 341.415 1.818 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000118074610 221111975 /nfs/dbraw/zinc/11/19/75/221111975.db2.gz XCGSRLXXGNCGAN-ZDUSSCGKSA-N 0 0 337.424 1.500 10 0 EDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000118115405 221121423 /nfs/dbraw/zinc/12/14/23/221121423.db2.gz HVYVVQWHNBJRKA-VIFPVBQESA-N 0 0 346.214 1.379 10 0 EDAERN COc1cc(OC)cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000118674482 221167619 /nfs/dbraw/zinc/16/76/19/221167619.db2.gz FAOYDNQGMQYKFX-AWEZNQCLSA-N 0 0 342.399 1.893 10 0 EDAERN Nc1nn2c(nc(O)c(-c3cccc(Br)c3)c2=O)s1 ZINC000118699923 221171258 /nfs/dbraw/zinc/17/12/58/221171258.db2.gz MYGASLOAZJGXHM-ZETCQYMHSA-N 0 0 339.174 1.234 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(N3CCOCC3)nc2C)c1 ZINC000119005616 221221902 /nfs/dbraw/zinc/22/19/02/221221902.db2.gz JDQXJZAILYUROX-UHFFFAOYSA-N 0 0 344.419 1.553 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNc2ncnc3ncccc32)ncn1 ZINC000119365234 221305123 /nfs/dbraw/zinc/30/51/23/221305123.db2.gz LOFPWEAEKFJYAA-GFCCVEGCSA-N 0 0 336.403 1.937 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNc2ncnc3nn(C)cc32)ncn1 ZINC000119365559 221305157 /nfs/dbraw/zinc/30/51/57/221305157.db2.gz HGULSSKHRDOEMW-LLVKDONJSA-N 0 0 339.407 1.276 10 0 EDAERN COc1ccccc1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000119441491 221322154 /nfs/dbraw/zinc/32/21/54/221322154.db2.gz ZKICEULOIFJKKH-UHFFFAOYSA-N 0 0 342.399 1.773 10 0 EDAERN O=C(NCCOc1ccc(Cl)cn1)N[C@H]1CCCn2ncnc21 ZINC000119754035 221394333 /nfs/dbraw/zinc/39/43/33/221394333.db2.gz BKKXNQAZIHDVIR-NSHDSACASA-N 0 0 336.783 1.540 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(COC)c1 ZINC000154969568 224335795 /nfs/dbraw/zinc/33/57/95/224335795.db2.gz GPWPOTKNEUNAAR-AWEZNQCLSA-N 0 0 330.388 1.836 10 0 EDAERN C[C@H](C(=O)N1[C@@H](C)COC[C@@H]1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000155120727 224361468 /nfs/dbraw/zinc/36/14/68/224361468.db2.gz DSVSDAWKLQPUII-HRCADAONSA-N 0 0 349.450 1.972 10 0 EDAERN COCCO[C@@H]1CCN(S(=O)(=O)C2CC2)[C@@H]1Cc1ccccc1 ZINC000247893252 257674473 /nfs/dbraw/zinc/67/44/73/257674473.db2.gz UHTXNHIEUWQWDG-IAGOWNOFSA-N 0 0 339.457 1.827 10 0 EDAERN Fc1cnc(N2CCO[C@@H]3[C@@H](OCC4CCOCC4)CC[C@@H]32)nc1 ZINC000503717884 257831527 /nfs/dbraw/zinc/83/15/27/257831527.db2.gz QKRRTLIJINNXLJ-JYJNAYRXSA-N 0 0 337.395 1.795 10 0 EDAERN O=C(Cn1cncn1)NC[C@H]1Cc2cccc(-c3nccs3)c2O1 ZINC000299758481 258076339 /nfs/dbraw/zinc/07/63/39/258076339.db2.gz LMRIKDORIWOWAP-GFCCVEGCSA-N 0 0 341.396 1.522 10 0 EDAERN COC(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000004632268 291961232 /nfs/dbraw/zinc/96/12/32/291961232.db2.gz GUCHQXCXUUAWTR-SUYBPPKGSA-N 0 0 346.339 1.072 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cccc(OC)c1 ZINC000155290070 533283697 /nfs/dbraw/zinc/28/36/97/533283697.db2.gz CJGPBPMNARINGF-AWEZNQCLSA-N 0 0 330.388 1.627 10 0 EDAERN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171663425 533440176 /nfs/dbraw/zinc/44/01/76/533440176.db2.gz LBDUWWBSEMFEQB-CYBMUJFWSA-N 0 0 334.401 1.159 10 0 EDAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000164635777 533543746 /nfs/dbraw/zinc/54/37/46/533543746.db2.gz LDJJJPAQARNOHF-DOMZBBRYSA-N 0 0 349.460 1.714 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccc(Br)c1C ZINC000168947684 533548359 /nfs/dbraw/zinc/54/83/59/533548359.db2.gz GCNXJSZORYFLHU-JOYOIKCWSA-N 0 0 342.189 1.506 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1Br ZINC000168936654 533548441 /nfs/dbraw/zinc/54/84/41/533548441.db2.gz CRZASKIHCOTULH-GZMMTYOYSA-N 0 0 346.152 1.337 10 0 EDAERN COc1ccc(CN2CCN(C(=O)C[C@@H](O)C(C)C)CC2)cc1F ZINC000154418698 533559839 /nfs/dbraw/zinc/55/98/39/533559839.db2.gz RAFSJVLUSNVHDK-MRXNPFEDSA-N 0 0 338.423 1.886 10 0 EDAERN COc1ccc(CNC(=O)[C@]2(C)CC(=O)N=C3C=CC=CN32)cc1 ZINC000170558307 533645280 /nfs/dbraw/zinc/64/52/80/533645280.db2.gz PZZWYTLWZZHCMR-SFHVURJKSA-N 0 0 325.368 1.784 10 0 EDAERN O=C(NC[C@H]1CN(c2ccccc2)C(=O)CO1)c1ccc(F)cc1 ZINC000041401330 132409406 /nfs/dbraw/zinc/40/94/06/132409406.db2.gz CEXGOSYULJPHRE-INIZCTEOSA-N 0 0 328.343 1.988 10 0 EDAERN COc1cccc(N2C[C@@H](CNC(=O)c3ccco3)OCC2=O)c1 ZINC000041418484 132410468 /nfs/dbraw/zinc/41/04/68/132410468.db2.gz GQTMREPIOWIWSW-CQSZACIVSA-N 0 0 330.340 1.450 10 0 EDAERN O=C(c1cccc2c1OCC(=O)N2)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000329872470 140774748 /nfs/dbraw/zinc/77/47/48/140774748.db2.gz DDEUVYNYCZKCCS-CYBMUJFWSA-N 0 0 330.340 1.487 10 0 EDAERN CC1(C)CN(C(=O)c2cnc3n[nH]nc3c2)C[C@@]2(CCCOC2)O1 ZINC000333245673 141287141 /nfs/dbraw/zinc/28/71/41/141287141.db2.gz JHJDEFUNCVOCCL-MRXNPFEDSA-N 0 0 331.376 1.153 10 0 EDAERN C[C@@H](NC(=O)[C@H]1CCc2cccnc21)C(=O)NCC[NH+]1CCCCC1 ZINC000333486042 141325007 /nfs/dbraw/zinc/32/50/07/141325007.db2.gz QCDXGHKUKJKKHV-ZBFHGGJFSA-N 0 0 344.459 1.218 10 0 EDAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000333572336 141338934 /nfs/dbraw/zinc/33/89/34/141338934.db2.gz IUBLBTCUHGCHFK-FPCVCCKLSA-N 0 0 349.475 1.890 10 0 EDAERN CS(=O)(=O)[C@@H]1CCCCN(C(=O)NCCC2CCOCC2)C1 ZINC000333574498 141339359 /nfs/dbraw/zinc/33/93/59/141339359.db2.gz USFFLRADIGUDLT-CQSZACIVSA-N 0 0 332.466 1.412 10 0 EDAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H](c3nccs3)C2)C1 ZINC000329137178 161609995 /nfs/dbraw/zinc/60/99/95/161609995.db2.gz RIGHIEFEGLAKAF-XJKSGUPXSA-N 0 0 337.445 1.223 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CCO1 ZINC000245634297 287166157 /nfs/dbraw/zinc/16/61/57/287166157.db2.gz QXOVFSBSKAHBRC-VYDXJSESSA-N 0 0 334.391 1.983 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCCN(C)c2ccccc2)C1 ZINC000079224578 287298398 /nfs/dbraw/zinc/29/83/98/287298398.db2.gz FRZKIVTUSWZJBA-MRXNPFEDSA-N 0 0 332.448 1.823 10 0 EDAERN Cc1ccc(Br)cc1S(=O)(=O)NCC1CC(O)C1 ZINC000091524357 287332444 /nfs/dbraw/zinc/33/24/44/287332444.db2.gz SDEWRMZHJOKGGB-UHFFFAOYSA-N 0 0 334.235 1.807 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000159061661 225138617 /nfs/dbraw/zinc/13/86/17/225138617.db2.gz CCZLTAZUKQMIHS-GFCCVEGCSA-N 0 0 332.360 1.341 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCO[C@](C)(c3ccccc3)C2)C1 ZINC000120465604 287361606 /nfs/dbraw/zinc/36/16/06/287361606.db2.gz GJXZHFAQCDENLE-AEFFLSMTSA-N 0 0 333.432 1.274 10 0 EDAERN O=c1c(Br)c(Cl)ncn1Cc1noc(C2CC2)n1 ZINC000164863915 226100493 /nfs/dbraw/zinc/10/04/93/226100493.db2.gz XSPWLVROODXVBY-UHFFFAOYSA-N 0 0 331.557 1.968 10 0 EDAERN COCC(C)(C)NS(=O)(=O)c1ccc(Br)cc1N ZINC000167139236 226180931 /nfs/dbraw/zinc/18/09/31/226180931.db2.gz JRHBBLHIASTJBR-UHFFFAOYSA-N 0 0 337.239 1.735 10 0 EDAERN CN(C(=O)c1cc(N)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000165332568 226121698 /nfs/dbraw/zinc/12/16/98/226121698.db2.gz NTMZNGXZDZZJLS-LLVKDONJSA-N 0 0 347.234 1.290 10 0 EDAERN Cc1c(N)cn(CC(=O)NCC(F)(F)F)c(=O)c1Br ZINC000165396145 226123153 /nfs/dbraw/zinc/12/31/53/226123153.db2.gz OMCIPEWHORCREE-UHFFFAOYSA-N 0 0 342.115 1.180 10 0 EDAERN Cc1c(N)cnc(NCCCN2CCOCC2)c1Br ZINC000165465823 226125061 /nfs/dbraw/zinc/12/50/61/226125061.db2.gz HZDLCGGBPCGEKH-UHFFFAOYSA-N 0 0 329.242 1.869 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)c(F)c1 ZINC000165501206 226126853 /nfs/dbraw/zinc/12/68/53/226126853.db2.gz VWDOOBLDSLXNKS-NSHDSACASA-N 0 0 345.378 1.878 10 0 EDAERN CCS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc(N)cc(Cl)c1 ZINC000166097518 226147640 /nfs/dbraw/zinc/14/76/40/226147640.db2.gz CXYLUWXKNQHQJV-GFCCVEGCSA-N 0 0 348.877 1.872 10 0 EDAERN CCS(=O)(=O)CCOC(=O)c1cc(N)cc(Br)c1 ZINC000166370417 226157606 /nfs/dbraw/zinc/15/76/06/226157606.db2.gz SLMNTAOSAGSAAV-UHFFFAOYSA-N 0 0 336.207 1.623 10 0 EDAERN Cc1ccc(C(N)=S)cc1NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000168473501 226215626 /nfs/dbraw/zinc/21/56/26/226215626.db2.gz VFKKOGIVFQKVPZ-LBPRGKRZSA-N 0 0 326.443 1.535 10 0 EDAERN CN(C)C(=O)CCNc1cccc(Br)c1C(N)=S ZINC000168721038 226221294 /nfs/dbraw/zinc/22/12/94/226221294.db2.gz FWRKIFSWNZJSMA-UHFFFAOYSA-N 0 0 330.251 1.974 10 0 EDAERN C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)N1CCN(C)CC1 ZINC000168826682 226225329 /nfs/dbraw/zinc/22/53/29/226225329.db2.gz ONCFZJJJXHHNEV-DZGCQCFKSA-N 0 0 343.393 1.912 10 0 EDAERN Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cnccc1Cl ZINC000169272606 226236273 /nfs/dbraw/zinc/23/62/73/226236273.db2.gz XGLCSHVHBRQPJT-UHFFFAOYSA-N 0 0 325.777 1.943 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000126623544 287425128 /nfs/dbraw/zinc/42/51/28/287425128.db2.gz WEMBRVJOFCDWAC-NSHDSACASA-N 0 0 341.209 1.977 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)cc1 ZINC000121727902 221916093 /nfs/dbraw/zinc/91/60/93/221916093.db2.gz FENAVUKHAWBMCZ-LBPRGKRZSA-N 0 0 331.351 1.569 10 0 EDAERN C[C@@H](NCC(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000122543420 222109764 /nfs/dbraw/zinc/10/97/64/222109764.db2.gz RCCFHROULKRQFD-SNVBAGLBSA-N 0 0 339.442 1.836 10 0 EDAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000123123017 222220127 /nfs/dbraw/zinc/22/01/27/222220127.db2.gz JCTGVVJHFXIIMW-HNNXBMFYSA-N 0 0 335.452 1.025 10 0 EDAERN COCCN1CCN(C(=O)CCc2nc(-c3ccoc3)no2)C[C@@H]1C ZINC000123183730 222230510 /nfs/dbraw/zinc/23/05/10/222230510.db2.gz GPUILZGQJWYJGO-ZDUSSCGKSA-N 0 0 348.403 1.441 10 0 EDAERN CCn1cc(C2CCN(C(=O)CCN3C(=O)CCC3=O)CC2)cn1 ZINC000123825838 222337328 /nfs/dbraw/zinc/33/73/28/222337328.db2.gz YVWROFGEANRREY-UHFFFAOYSA-N 0 0 332.404 1.148 10 0 EDAERN Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171865684 227324525 /nfs/dbraw/zinc/32/45/25/227324525.db2.gz JSCKBWVRLARZHT-CYBMUJFWSA-N 0 0 342.403 1.148 10 0 EDAERN COC(=O)[C@@H](NC(=O)c1cccc2c1oc(=O)n2C)c1ccccc1 ZINC000130714575 287497908 /nfs/dbraw/zinc/49/79/08/287497908.db2.gz NQYHOKSBSCGFQQ-AWEZNQCLSA-N 0 0 340.335 1.776 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCc1cscn1)CC2 ZINC000152758487 287616251 /nfs/dbraw/zinc/61/62/51/287616251.db2.gz MXXWHYMNNPVISM-LLVKDONJSA-N 0 0 334.449 1.715 10 0 EDAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000261882765 273017384 /nfs/dbraw/zinc/01/73/84/273017384.db2.gz FPCHGGJDSASCEQ-DQYPLSBCSA-N 0 0 343.427 1.338 10 0 EDAERN CN(CC1(CO)CC1)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000189129174 267770946 /nfs/dbraw/zinc/77/09/46/267770946.db2.gz MSYNEIGKRVJWCP-QWHCGFSZSA-N 0 0 326.437 1.911 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccsc1 ZINC000046366479 272912436 /nfs/dbraw/zinc/91/24/36/272912436.db2.gz FOVDMKIFMORZPW-CYBMUJFWSA-N 0 0 330.475 1.611 10 0 EDAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000155180054 287656331 /nfs/dbraw/zinc/65/63/31/287656331.db2.gz XBZNEUVGAJPUHB-PBHICJAKSA-N 0 0 345.399 1.070 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181352072 533689002 /nfs/dbraw/zinc/68/90/02/533689002.db2.gz SCPATAGCNDFWBZ-CQSZACIVSA-N 0 0 345.451 1.680 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1 ZINC000106394702 273723990 /nfs/dbraw/zinc/72/39/90/273723990.db2.gz JQIRWYPCPMOLPZ-CQSZACIVSA-N 0 0 346.406 1.540 10 0 EDAERN CCOc1cc(/C=C\C(=O)N2CCC[C@H](NC(C)=O)C2)ccc1O ZINC000255193193 287832616 /nfs/dbraw/zinc/83/26/16/287832616.db2.gz VLPDXSNGCMQKDA-VIHMKRCTSA-N 0 0 332.400 1.931 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000106395474 276642870 /nfs/dbraw/zinc/64/28/70/276642870.db2.gz UWPHOZHPYCFHOX-ZFWWWQNUSA-N 0 0 331.416 1.028 10 0 EDAERN CC(C)(CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)N1CCOCC1 ZINC000156100583 277300790 /nfs/dbraw/zinc/30/07/90/277300790.db2.gz GDVOCGTWBWVQLS-CRAIPNDOSA-N 0 0 339.480 1.434 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000248983765 278051330 /nfs/dbraw/zinc/05/13/30/278051330.db2.gz ULSNMJQRPNYZPO-BHYGNILZSA-N 0 0 345.443 1.172 10 0 EDAERN C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1N1CCOCC1 ZINC000173960528 278412582 /nfs/dbraw/zinc/41/25/82/278412582.db2.gz LIDFPVUZFQNMBV-MAUKXSAKSA-N 0 0 340.427 1.665 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000191995385 279060259 /nfs/dbraw/zinc/06/02/59/279060259.db2.gz ULRBLJDXAJORDV-AWEZNQCLSA-N 0 0 339.480 1.695 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC2([S@@](C)=O)CCC2)C[C@]12CCCO2 ZINC000334000619 280044157 /nfs/dbraw/zinc/04/41/57/280044157.db2.gz RLINWUPARLGRTR-JWCWZOIMSA-N 0 0 328.478 1.887 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC[C@H]1O ZINC000249441999 288229818 /nfs/dbraw/zinc/22/98/18/288229818.db2.gz KEYDIAYFYKFBKM-IATRGZMQSA-N 0 0 329.462 1.414 10 0 EDAERN CC[C@H]1CN(C(=O)c2c(OC)cccc2OC)CCN1C[C@@H](C)O ZINC000120397329 288271229 /nfs/dbraw/zinc/27/12/29/288271229.db2.gz WLUSCIZQFSHOGW-KGLIPLIRSA-N 0 0 336.432 1.621 10 0 EDAERN Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ccc(C)nn2)cs1 ZINC000096063884 281894729 /nfs/dbraw/zinc/89/47/29/281894729.db2.gz JOAXIMYZOZCECF-KGLIPLIRSA-N 0 0 329.429 1.930 10 0 EDAERN C[C@H](CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCCCC1=O ZINC000329104296 289417457 /nfs/dbraw/zinc/41/74/57/289417457.db2.gz DLPSPPMTJHACJR-QXSJWSMHSA-N 0 0 338.448 1.166 10 0 EDAERN Cc1csc([C@@H]2CN(S(=O)(=O)N3CCCCCC3)CCO2)n1 ZINC000193946256 293055590 /nfs/dbraw/zinc/05/55/90/293055590.db2.gz OIUQQVADNXGFFW-ZDUSSCGKSA-N 0 0 345.490 1.946 10 0 EDAERN Cc1oc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1S(N)(=O)=O ZINC000151262500 294030390 /nfs/dbraw/zinc/03/03/90/294030390.db2.gz MQESRFQVRMMYPR-IAQYHMDHSA-N 0 0 342.417 1.003 10 0 EDAERN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000330130817 295016305 /nfs/dbraw/zinc/01/63/05/295016305.db2.gz KPZKHJWHMZFZHO-LVQVYYBASA-N 0 0 330.384 1.527 10 0 EDAERN COc1cccc([C@H](C)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173855779 295323419 /nfs/dbraw/zinc/32/34/19/295323419.db2.gz OKMXOXOEBKVWCZ-RVKKMQEKSA-N 0 0 332.444 1.978 10 0 EDAERN CS(=O)(=O)CCCCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000186265834 295493371 /nfs/dbraw/zinc/49/33/71/295493371.db2.gz ZFJHCSYBGLDSOL-CQSZACIVSA-N 0 0 342.465 1.861 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000130418718 297147468 /nfs/dbraw/zinc/14/74/68/297147468.db2.gz JFKISQYNFFYZSK-NXEZZACHSA-N 0 0 333.356 1.932 10 0 EDAERN Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000253552268 301148599 /nfs/dbraw/zinc/14/85/99/301148599.db2.gz SXPQRHFLANHYJY-PWSUYJOCSA-N 0 0 345.403 1.203 10 0 EDAERN Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000113298488 301179303 /nfs/dbraw/zinc/17/93/03/301179303.db2.gz TZQQEJFBDVLBNV-CQSZACIVSA-N 0 0 334.445 1.805 10 0 EDAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000176013878 301308600 /nfs/dbraw/zinc/30/86/00/301308600.db2.gz HKSAWBACJGCEOG-AWEZNQCLSA-N 0 0 344.390 1.946 10 0 EDAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000333845934 301648347 /nfs/dbraw/zinc/64/83/47/301648347.db2.gz PCQLYLBZQNMRBW-INIZCTEOSA-N 0 0 337.445 1.335 10 0 EDAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000249109916 302159250 /nfs/dbraw/zinc/15/92/50/302159250.db2.gz AZVYYNWPSKENGM-NJAFHUGGSA-N 0 0 341.455 1.521 10 0 EDAERN CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccc(OC)cc3)O[C@@H]2[C@H](O)[C@H]1O ZINC000044168595 440824145 /nfs/dbraw/zinc/82/41/45/440824145.db2.gz MBJNBNGPOLEMKC-FWXGHANASA-N 0 0 342.413 1.309 10 0 in-vitro EDAERN CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CN3)CC1 ZINC000006392396 440988922 /nfs/dbraw/zinc/98/89/22/440988922.db2.gz AWNJIKQSRJQFQW-UHFFFAOYSA-N 0 0 331.372 1.466 10 0 EDAERN COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(C)C)cc1 ZINC000045677050 441017573 /nfs/dbraw/zinc/01/75/73/441017573.db2.gz UFGSXBPQICTLIS-GFCCVEGCSA-N 0 0 328.434 1.386 10 0 EDAERN CN1CC(=O)N(CCCC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000007667437 441061982 /nfs/dbraw/zinc/06/19/82/441061982.db2.gz ARXMJDCHNZDFKW-HNNXBMFYSA-N 0 0 329.400 1.854 10 0 EDAERN O=C(CNc1ccc(Cl)cc1Cl)N[C@H]1CCS(=O)(=O)C1 ZINC000015290688 441199510 /nfs/dbraw/zinc/19/95/10/441199510.db2.gz RLHYWHBJELDBLU-VIFPVBQESA-N 0 0 337.228 1.709 10 0 EDAERN CN(CCOc1ccccc1F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104799271 441211777 /nfs/dbraw/zinc/21/17/77/441211777.db2.gz DIGYYIKEMDMNSH-ZDUSSCGKSA-N 0 0 325.384 1.177 10 0 EDAERN C([C@@H]1CCCO1)N1CN(C[C@@H]2CCCO2)CN(C[C@@H]2CCCO2)C1 ZINC000019327081 441256330 /nfs/dbraw/zinc/25/63/30/441256330.db2.gz CSBMKJSLLGCYGV-BZSNNMDCSA-N 0 0 339.480 1.316 10 0 EDAERN CCC(CC)NC(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864378 441295435 /nfs/dbraw/zinc/29/54/35/441295435.db2.gz AWYZPUAODLFUIR-OLZOCXBDSA-N 0 0 337.468 1.750 10 0 EDAERN CC[C@H]1CCCCN1C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798973 441273850 /nfs/dbraw/zinc/27/38/50/441273850.db2.gz NQPKOKGIMDLMOF-INIZCTEOSA-N 0 0 331.464 1.780 10 0 EDAERN CC(C)CCOCCNC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105805844 441274522 /nfs/dbraw/zinc/27/45/22/441274522.db2.gz SYEIWUIAVMMHOH-UHFFFAOYSA-N 0 0 349.479 1.532 10 0 EDAERN Cc1noc([C@H](C)N2CCN(CC(=O)N(C)c3ccccc3)CC2)n1 ZINC000105863953 441295750 /nfs/dbraw/zinc/29/57/50/441295750.db2.gz IPFIYPPWOYQCLY-AWEZNQCLSA-N 0 0 343.431 1.720 10 0 EDAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810658 441275705 /nfs/dbraw/zinc/27/57/05/441275705.db2.gz MJVOKKUYKWIDBA-CYBMUJFWSA-N 0 0 333.436 1.066 10 0 EDAERN Cc1ncc(CN2CCN(CC(=O)NCc3ccco3)CC2)s1 ZINC000105813733 441276777 /nfs/dbraw/zinc/27/67/77/441276777.db2.gz DTTNGHXVFAEDGF-UHFFFAOYSA-N 0 0 334.445 1.479 10 0 EDAERN CC(C)(C)CC(=O)NCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105815142 441276919 /nfs/dbraw/zinc/27/69/19/441276919.db2.gz IXNKYGOEJJLUEP-UHFFFAOYSA-N 0 0 333.436 1.432 10 0 EDAERN CCCCc1noc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)n1 ZINC000105864443 441295856 /nfs/dbraw/zinc/29/58/56/441295856.db2.gz IXEKGOHHLMBFEE-LBPRGKRZSA-N 0 0 334.424 1.982 10 0 EDAERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCN(CCOC)[C@H](C)C1 ZINC000105831637 441283892 /nfs/dbraw/zinc/28/38/92/441283892.db2.gz PGBYYMFCPOXEJL-BRWVUGGUSA-N 0 0 325.497 1.819 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000081580904 441292669 /nfs/dbraw/zinc/29/26/69/441292669.db2.gz FABHYRDAISDTDI-AWEZNQCLSA-N 0 0 327.388 1.553 10 0 EDAERN CCOC(=O)[C@H](C)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000106158850 441328383 /nfs/dbraw/zinc/32/83/83/441328383.db2.gz OBUMJMPZKCTNRV-LBPRGKRZSA-N 0 0 342.871 1.705 10 0 EDAERN CNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000048986366 441340636 /nfs/dbraw/zinc/34/06/36/441340636.db2.gz IFXZVQIHKPDIDE-LLVKDONJSA-N 0 0 329.356 1.764 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(CCN3CCCC3=O)CC2)cn1 ZINC000105866173 441296674 /nfs/dbraw/zinc/29/66/74/441296674.db2.gz KYEFVYVXVRYWNW-UHFFFAOYSA-N 0 0 333.480 1.378 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000105865730 441296821 /nfs/dbraw/zinc/29/68/21/441296821.db2.gz VTNLXOYZJMYFJR-HNNXBMFYSA-N 0 0 347.507 1.413 10 0 EDAERN CC(C)CNC(=O)[C@@H](C)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866107 441296871 /nfs/dbraw/zinc/29/68/71/441296871.db2.gz FYAWZMNSKRBCBS-MRXNPFEDSA-N 0 0 349.523 1.916 10 0 EDAERN Cc1ccc(N2CCCN(C(=O)Cc3ccccc3O)CC2)nn1 ZINC000105867985 441297820 /nfs/dbraw/zinc/29/78/20/441297820.db2.gz NSINVAZKWRPYCB-UHFFFAOYSA-N 0 0 326.400 1.772 10 0 EDAERN CCOC(=O)[C@H](C)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000105874843 441302812 /nfs/dbraw/zinc/30/28/12/441302812.db2.gz CHIVMOYYXHLADO-UONOGXRCSA-N 0 0 326.462 1.971 10 0 EDAERN Cn1c(CN2CCC[C@@H](Cn3cncn3)C2)nnc1-c1ccccc1 ZINC000105884550 441306560 /nfs/dbraw/zinc/30/65/60/441306560.db2.gz AWTGNMMZSNKXSK-OAHLLOKOSA-N 0 0 337.431 1.986 10 0 EDAERN Cn1cc(CN2CCCN(Cc3noc4c3CCCC4)CC2)cn1 ZINC000108867711 441479418 /nfs/dbraw/zinc/47/94/18/441479418.db2.gz PHUOHCTTYGOAAC-UHFFFAOYSA-N 0 0 329.448 1.995 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000087563465 441493550 /nfs/dbraw/zinc/49/35/50/441493550.db2.gz SICHWFXTYAHGAC-ZIAGYGMSSA-N 0 0 340.383 1.573 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CN(C)C(=O)OC(C)(C)C ZINC000088196701 441494671 /nfs/dbraw/zinc/49/46/71/441494671.db2.gz WOHKHJYPGGXZHD-LLVKDONJSA-N 0 0 337.424 1.659 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1ccc(F)c(F)c1 ZINC000086432503 441466086 /nfs/dbraw/zinc/46/60/86/441466086.db2.gz LLLFECGMPNJUJP-VIFPVBQESA-N 0 0 335.310 1.479 10 0 EDAERN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nncn1C1CC1)c1ccccc1 ZINC000108591984 441466992 /nfs/dbraw/zinc/46/69/92/441466992.db2.gz WAQNWUWOCXRPIW-RYUDHWBXSA-N 0 0 348.428 1.653 10 0 EDAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000110353874 441517034 /nfs/dbraw/zinc/51/70/34/441517034.db2.gz DCXAGGMAULIAEW-KOLCDFICSA-N 0 0 325.206 1.632 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)nc1 ZINC000088787096 441522880 /nfs/dbraw/zinc/52/28/80/441522880.db2.gz JEZKRFPZFYZXAJ-SNVBAGLBSA-N 0 0 341.824 1.702 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3cccc(C=O)c3)CCO2)c1 ZINC000113184631 441585722 /nfs/dbraw/zinc/58/57/22/441585722.db2.gz KOWPMUJLTCVKGK-KRWDZBQOSA-N 0 0 343.383 1.310 10 0 EDAERN COc1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1Br ZINC000033855507 441597142 /nfs/dbraw/zinc/59/71/42/441597142.db2.gz NEHWINBFHWBREY-UHFFFAOYSA-N 0 0 329.125 1.495 10 0 EDAERN CNC(=O)COC(=O)NCCC1CCN(c2cccc(C)n2)CC1 ZINC000033982008 441598345 /nfs/dbraw/zinc/59/83/45/441598345.db2.gz HSYCMGWPPRTNKH-UHFFFAOYSA-N 0 0 334.420 1.469 10 0 in-vitro EDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)C1=Cc2ccccc2CC1 ZINC000113298280 441599869 /nfs/dbraw/zinc/59/98/69/441599869.db2.gz PJIFWXITUWIHRW-CQSZACIVSA-N 0 0 330.413 1.500 10 0 EDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(F)ccc1Cl ZINC000113299031 441599990 /nfs/dbraw/zinc/59/99/90/441599990.db2.gz FHEVLBPAHSHMBK-VIFPVBQESA-N 0 0 330.772 1.364 10 0 EDAERN CN(C)C(=O)C1(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)CCCC1 ZINC000113412178 441606751 /nfs/dbraw/zinc/60/67/51/441606751.db2.gz IJRVSAUCONETJX-OAHLLOKOSA-N 0 0 347.463 1.915 10 0 EDAERN Cc1nnc(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3CCCO3)c2)o1 ZINC000076240816 441616054 /nfs/dbraw/zinc/61/60/54/441616054.db2.gz FRPZXALORSZHIH-QMTHXVAHSA-N 0 0 344.371 1.667 10 0 EDAERN Cn1cc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)cn1 ZINC000113921995 441627266 /nfs/dbraw/zinc/62/72/66/441627266.db2.gz HTTYOQMCWPXDKS-UHFFFAOYSA-N 0 0 330.436 1.330 10 0 EDAERN C[C@H](CNC(=O)N1CCO[C@H](Cn2cccn2)C1)Oc1ccccc1 ZINC000114032931 441631778 /nfs/dbraw/zinc/63/17/78/441631778.db2.gz UOGHSFQJUOOSOQ-WBVHZDCISA-N 0 0 344.415 1.761 10 0 EDAERN C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)N1CCOCC1 ZINC000041600590 441662541 /nfs/dbraw/zinc/66/25/41/441662541.db2.gz MMJSNIOXIQXRFV-NSHDSACASA-N 0 0 325.796 1.115 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1sc(=S)[nH]c1C)CC2 ZINC000114862035 441693114 /nfs/dbraw/zinc/69/31/14/441693114.db2.gz IGAFESFFLUHUCJ-SECBINFHSA-N 0 0 337.474 1.942 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)N1CCOCC1 ZINC000114587108 441667584 /nfs/dbraw/zinc/66/75/84/441667584.db2.gz NEZVCNQTXNKFCO-BBRMVZONSA-N 0 0 349.479 1.604 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2ccsc2)CC1 ZINC000115390156 441735867 /nfs/dbraw/zinc/73/58/67/441735867.db2.gz HGBKRENAEHOZIF-UHFFFAOYSA-N 0 0 332.473 1.985 10 0 EDAERN CCc1nnsc1C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173420536 441744319 /nfs/dbraw/zinc/74/43/19/441744319.db2.gz JEEZLAHSSCGLSV-SNVBAGLBSA-N 0 0 347.448 1.331 10 0 EDAERN O=C(NCCCN1CCCCCC1=O)N1CCC[C@H](n2cncn2)C1 ZINC000173432937 441748649 /nfs/dbraw/zinc/74/86/49/441748649.db2.gz IEIBNWYNLCYIKH-HNNXBMFYSA-N 0 0 348.451 1.417 10 0 EDAERN C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1c(Cl)ccc(F)c1Cl ZINC000137178026 441753956 /nfs/dbraw/zinc/75/39/56/441753956.db2.gz PDEFMTLCGKGQBB-XNCJUZBTSA-N 0 0 348.161 1.908 10 0 EDAERN C[C@H](NC(=O)N1CCN(C)C(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173457276 441756368 /nfs/dbraw/zinc/75/63/68/441756368.db2.gz PMCBYZANRYWBEA-ZDUSSCGKSA-N 0 0 327.388 1.417 10 0 EDAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173466426 441760342 /nfs/dbraw/zinc/76/03/42/441760342.db2.gz YZSYFIDIHRQEPR-LBPRGKRZSA-N 0 0 345.490 1.775 10 0 EDAERN C[C@@H]1COC[C@H](C)N1Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000077368499 441764583 /nfs/dbraw/zinc/76/45/83/441764583.db2.gz HGEYPWDHQIDBQT-PHIMTYICSA-N 0 0 339.346 1.873 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NCCc3cccs3)CCO2)[nH]1 ZINC000173355954 441721949 /nfs/dbraw/zinc/72/19/49/441721949.db2.gz ZUNVEQQQXMYCPU-SMDDNHRTSA-N 0 0 349.460 1.295 10 0 EDAERN Cn1nccc1C1CCN(C(=O)NCCNC(=O)C(C)(C)C)CC1 ZINC000158357953 441729622 /nfs/dbraw/zinc/72/96/22/441729622.db2.gz WWIVSVBHDPCFSA-UHFFFAOYSA-N 0 0 335.452 1.471 10 0 EDAERN Cc1cc(C(=O)N[C@H](C)c2cccs2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000173659577 441817243 /nfs/dbraw/zinc/81/72/43/441817243.db2.gz HQMAURQHPWJDTK-MRVPVSSYSA-N 0 0 330.369 1.885 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCc3cccc4c3OCO4)C2)cn1 ZINC000116420786 441820236 /nfs/dbraw/zinc/82/02/36/441820236.db2.gz HESHNBMAICUSKU-CYBMUJFWSA-N 0 0 328.372 1.848 10 0 EDAERN COc1cccc([C@@H](O)C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000121833976 441790915 /nfs/dbraw/zinc/79/09/15/441790915.db2.gz KLFWRWJIHQUWFF-IAGOWNOFSA-N 0 0 328.368 1.804 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)[nH]1 ZINC000173560582 441791524 /nfs/dbraw/zinc/79/15/24/441791524.db2.gz AJCNWTOTOHWTDR-CYBMUJFWSA-N 0 0 334.351 1.485 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccccc3COC)CCO2)[nH]1 ZINC000173573087 441795661 /nfs/dbraw/zinc/79/56/61/441795661.db2.gz FYLRFDXFGOAOJZ-AWEZNQCLSA-N 0 0 330.388 1.727 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc43)C2)cn1 ZINC000116228991 441803222 /nfs/dbraw/zinc/80/32/22/441803222.db2.gz TZMQZOOUZGBPRO-GFCCVEGCSA-N 0 0 325.372 1.079 10 0 EDAERN COc1ccc(CNC(=O)CN2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116322564 441813363 /nfs/dbraw/zinc/81/33/63/441813363.db2.gz GLHKMPCJCIHTCF-HNNXBMFYSA-N 0 0 328.416 1.534 10 0 EDAERN OCCCCC(O)(CCC1OCCCO1)CCC1OCCCO1 ZINC000117346476 441870809 /nfs/dbraw/zinc/87/08/09/441870809.db2.gz HNHTYZFKWGXZEG-UHFFFAOYSA-N 0 0 332.437 1.967 10 0 EDAERN CCCNC(=O)NC(=O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173707112 441827339 /nfs/dbraw/zinc/82/73/39/441827339.db2.gz SPQONCUEMLRTOU-UHFFFAOYSA-N 0 0 335.408 1.542 10 0 EDAERN CC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000173711894 441828774 /nfs/dbraw/zinc/82/87/74/441828774.db2.gz KIQMAXZOBRGLOH-MRXNPFEDSA-N 0 0 342.403 1.783 10 0 EDAERN NC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116578186 441831445 /nfs/dbraw/zinc/83/14/45/441831445.db2.gz VADKGDYREPLGJK-AWEZNQCLSA-N 0 0 341.367 1.610 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116586589 441831831 /nfs/dbraw/zinc/83/18/31/441831831.db2.gz NDLZDWHDRGLPCR-AWEZNQCLSA-N 0 0 326.400 1.992 10 0 EDAERN CN1CCO[C@@H](CNC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)C1 ZINC000116739829 441839118 /nfs/dbraw/zinc/83/91/18/441839118.db2.gz GIIPAROTUPBSPC-QFBILLFUSA-N 0 0 345.443 1.128 10 0 EDAERN Cc1nccn1-c1cncc(N[C@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000092916435 441839960 /nfs/dbraw/zinc/83/99/60/441839960.db2.gz YVMGPDNDROCPBL-AWEZNQCLSA-N 0 0 338.419 1.785 10 0 EDAERN COCCn1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000140569627 441840114 /nfs/dbraw/zinc/84/01/14/441840114.db2.gz BJWDAXNOVCXVGL-QGZVFWFLSA-N 0 0 343.427 1.981 10 0 EDAERN CC(=O)Nc1ccc(C)c(NC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173800224 441841507 /nfs/dbraw/zinc/84/15/07/441841507.db2.gz ZOOBQTIYBQCBDX-INIZCTEOSA-N 0 0 346.431 1.892 10 0 EDAERN CCOCCO[C@H](C)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116777944 441843780 /nfs/dbraw/zinc/84/37/80/441843780.db2.gz XCTKXSPFJOQIOI-CJNGLKHVSA-N 0 0 338.452 1.575 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CC[C@H](N2CCOCC2)C1)C(C)C ZINC000174334730 441913546 /nfs/dbraw/zinc/91/35/46/441913546.db2.gz QYAAFXSZDWBKEG-HOTGVXAUSA-N 0 0 327.469 1.554 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2nccs2)ncn1 ZINC000174101344 441888080 /nfs/dbraw/zinc/88/80/80/441888080.db2.gz KRFOMKYVJAXZNI-LLVKDONJSA-N 0 0 347.448 1.443 10 0 EDAERN NC(=O)c1ncccc1NC(=O)c1csc(-c2cccnc2)n1 ZINC000118142058 441892067 /nfs/dbraw/zinc/89/20/67/441892067.db2.gz JXZDCUMXHYBJKI-UHFFFAOYSA-N 0 0 325.353 1.951 10 0 EDAERN CN1CCO[C@H](CNC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC000118480778 441896050 /nfs/dbraw/zinc/89/60/50/441896050.db2.gz YYEPPKRGJPKQLH-RRFJBIMHSA-N 0 0 327.469 1.458 10 0 EDAERN C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(-c2ccccc2)cc1 ZINC000174165813 441896623 /nfs/dbraw/zinc/89/66/23/441896623.db2.gz GZHAZSNJXCYQTF-CYBMUJFWSA-N 0 0 349.394 1.921 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)NCCCO[C@H]1CCOC1)C(C)C ZINC000150813123 441955660 /nfs/dbraw/zinc/95/56/60/441955660.db2.gz GTYKYDOYHJJSPU-GOEBONIOSA-N 0 0 328.453 1.485 10 0 EDAERN C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000174986569 441991598 /nfs/dbraw/zinc/99/15/98/441991598.db2.gz UEUVGQUXNUBDNM-MFKMUULPSA-N 0 0 335.795 1.677 10 0 EDAERN C[C@@H](NC(=O)NCCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCCO1 ZINC000174950914 441988859 /nfs/dbraw/zinc/98/88/59/441988859.db2.gz GMOSWUISGSVOML-CJNGLKHVSA-N 0 0 333.432 1.798 10 0 EDAERN Cc1cc([C@@](C)(O)CNC(=O)N[C@H]2CCc3ncnn3C2)c(C)o1 ZINC000175110141 442006296 /nfs/dbraw/zinc/00/62/96/442006296.db2.gz ACMAZSVWZYOTQA-LRDDRELGSA-N 0 0 333.392 1.010 10 0 EDAERN CC(C)N1CC[C@H](N2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175188209 442014032 /nfs/dbraw/zinc/01/40/32/442014032.db2.gz AXXJNEXYSBDMIA-ROUUACIJSA-N 0 0 331.460 1.347 10 0 EDAERN CCCS(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175223752 442021899 /nfs/dbraw/zinc/02/18/99/442021899.db2.gz UOWILIFWCDHFBR-CHWSQXEVSA-N 0 0 332.491 1.839 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCCOCC(C)C)CCO2)[nH]1 ZINC000175330198 442042851 /nfs/dbraw/zinc/04/28/51/442042851.db2.gz SBDWEARPZSVYDL-ZDUSSCGKSA-N 0 0 325.413 1.259 10 0 EDAERN CO[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000120191641 442026178 /nfs/dbraw/zinc/02/61/78/442026178.db2.gz NZUHTUZQIQYYJJ-LRDDRELGSA-N 0 0 348.424 1.899 10 0 EDAERN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)C[C@@H](C)O1 ZINC000125582942 442031989 /nfs/dbraw/zinc/03/19/89/442031989.db2.gz KTFSWBZKHXUOHG-VXGBXAGGSA-N 0 0 346.362 1.586 10 0 EDAERN COc1ccc(CCNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000175289478 442032797 /nfs/dbraw/zinc/03/27/97/442032797.db2.gz QLXGCAWRHUBRCS-OAHLLOKOSA-N 0 0 345.403 1.447 10 0 EDAERN COCCN1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000175292462 442034051 /nfs/dbraw/zinc/03/40/51/442034051.db2.gz BVMLRMXMLKKGDR-GMMCIKNFSA-N 0 0 342.436 1.779 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)NCCCC(=O)NC1CC1 ZINC000175614839 442094051 /nfs/dbraw/zinc/09/40/51/442094051.db2.gz VVZNYHLVHHENAU-AWEZNQCLSA-N 0 0 333.432 1.950 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1c[nH]c3ncccc13)CC2 ZINC000151358001 442047871 /nfs/dbraw/zinc/04/78/71/442047871.db2.gz KRQHSTSXZXGXHJ-CYBMUJFWSA-N 0 0 338.415 1.952 10 0 EDAERN CCOc1cccc(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000175362162 442049800 /nfs/dbraw/zinc/04/98/00/442049800.db2.gz BQBUHLKMEODAKI-OAHLLOKOSA-N 0 0 345.403 1.795 10 0 EDAERN Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000162174612 442070276 /nfs/dbraw/zinc/07/02/76/442070276.db2.gz QSQIBXQRINRHLN-GFCCVEGCSA-N 0 0 344.419 1.545 10 0 EDAERN COC[C@H](NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)c1ccco1 ZINC000175543945 442083095 /nfs/dbraw/zinc/08/30/95/442083095.db2.gz QWLPBMMPOYXKJV-STQMWFEESA-N 0 0 347.419 1.996 10 0 EDAERN CC(=O)N[C@H](C(=O)N1CCC(Cn2cccn2)CC1)C1CCCC1 ZINC000126283776 442095876 /nfs/dbraw/zinc/09/58/76/442095876.db2.gz WAIIIMZMNOHKNB-KRWDZBQOSA-N 0 0 332.448 1.817 10 0 EDAERN O=C(NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)NCc1ccco1 ZINC000151564938 442085584 /nfs/dbraw/zinc/08/55/84/442085584.db2.gz CFIQVDREFSXKCY-CXAGYDPISA-N 0 0 335.404 1.232 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000162385820 442089178 /nfs/dbraw/zinc/08/91/78/442089178.db2.gz FUXPSGPANYNLGI-ZDUSSCGKSA-N 0 0 335.379 1.013 10 0 EDAERN COc1ccc(C(=O)CCC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175716908 442111150 /nfs/dbraw/zinc/11/11/50/442111150.db2.gz QZHJVORPEOSEFG-CQSZACIVSA-N 0 0 328.372 1.901 10 0 EDAERN C[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)O1 ZINC000151726211 442112091 /nfs/dbraw/zinc/11/20/91/442112091.db2.gz GIHFVXCMTIAHKS-XHDPSFHLSA-N 0 0 338.354 1.817 10 0 EDAERN CCCCO[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1(C)C ZINC000175735174 442113185 /nfs/dbraw/zinc/11/31/85/442113185.db2.gz SQAFBBDPKNURFW-RBSFLKMASA-N 0 0 327.469 1.600 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000151770624 442117580 /nfs/dbraw/zinc/11/75/80/442117580.db2.gz PUXPKBIPLOXSOY-AWEZNQCLSA-N 0 0 346.435 1.073 10 0 EDAERN CCc1noc2ncc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)cc12 ZINC000126646038 442130204 /nfs/dbraw/zinc/13/02/04/442130204.db2.gz KHJDASXZMSXTCU-GFCCVEGCSA-N 0 0 340.387 1.929 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2n[nH]nc2c1 ZINC000175832780 442131295 /nfs/dbraw/zinc/13/12/95/442131295.db2.gz HYGNQMNLLHCZFQ-ZDUSSCGKSA-N 0 0 337.405 1.101 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCc1nc2cccc(C)c2n1C)C(C)C ZINC000120784573 442132097 /nfs/dbraw/zinc/13/20/97/442132097.db2.gz AKNNRCUBDYSDLX-CQSZACIVSA-N 0 0 332.404 1.879 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCCC(=O)NC1CC1 ZINC000175853788 442135473 /nfs/dbraw/zinc/13/54/73/442135473.db2.gz DSAQANHRYXLDOI-HNNXBMFYSA-N 0 0 333.436 1.424 10 0 EDAERN C[C@@H](NC(=O)NCc1ccccc1CS(C)(=O)=O)[C@H]1CCCO1 ZINC000175856573 442135682 /nfs/dbraw/zinc/13/56/82/442135682.db2.gz SCOMAFLBMQRBEI-IUODEOHRSA-N 0 0 340.445 1.598 10 0 EDAERN CS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000175892695 442141777 /nfs/dbraw/zinc/14/17/77/442141777.db2.gz ZSVKXCAUHQNADF-LBPRGKRZSA-N 0 0 335.389 1.338 10 0 EDAERN CC(C)C(=O)N1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CO)CC1 ZINC000175924177 442146935 /nfs/dbraw/zinc/14/69/35/442146935.db2.gz LAURNMCBFFCTNE-UKRRQHHQSA-N 0 0 325.453 1.484 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cnn(CC(C)C)c2C)n1 ZINC000121035825 442168890 /nfs/dbraw/zinc/16/88/90/442168890.db2.gz CVMOORNLTVMFMF-CQSZACIVSA-N 0 0 333.392 1.753 10 0 EDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000163583462 442174702 /nfs/dbraw/zinc/17/47/02/442174702.db2.gz QRCJHXZBBVBVAB-LLVKDONJSA-N 0 0 344.289 1.597 10 0 EDAERN NC(=O)c1ccc(OCCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000176104094 442177167 /nfs/dbraw/zinc/17/71/67/442177167.db2.gz JALAPBCFIDZPRT-CVEARBPZSA-N 0 0 332.400 1.724 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000176282139 442204694 /nfs/dbraw/zinc/20/46/94/442204694.db2.gz AJXZLDIKTBZUJP-KDOFPFPSSA-N 0 0 337.464 1.940 10 0 EDAERN Cc1cccc(CNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000152380182 442204932 /nfs/dbraw/zinc/20/49/32/442204932.db2.gz VVPBHVOLUYBCIN-MRXNPFEDSA-N 0 0 340.431 1.990 10 0 EDAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000127325828 442193778 /nfs/dbraw/zinc/19/37/78/442193778.db2.gz RBSHDXJZKKCBBC-INIZCTEOSA-N 0 0 347.463 1.704 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126919128 442154192 /nfs/dbraw/zinc/15/41/92/442154192.db2.gz WPOKNGZZUAQUIY-CQSZACIVSA-N 0 0 342.465 1.122 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)CCOc2ccc(F)cc2)n1 ZINC000120982588 442161148 /nfs/dbraw/zinc/16/11/48/442161148.db2.gz YBPBWLPSVPZUKB-AWEZNQCLSA-N 0 0 335.335 1.886 10 0 EDAERN O=C(NCCCN1C(=O)CNC1=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000127539600 442210749 /nfs/dbraw/zinc/21/07/49/442210749.db2.gz YJKWNXJCNLIGJB-AWEZNQCLSA-N 0 0 348.378 1.444 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 ZINC000127579382 442212756 /nfs/dbraw/zinc/21/27/56/442212756.db2.gz SGXYXCYWQNMDAT-AWEZNQCLSA-N 0 0 327.388 1.316 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccccc1F ZINC000176435291 442221272 /nfs/dbraw/zinc/22/12/72/442221272.db2.gz BHFIOWMFMJSUHL-CHWSQXEVSA-N 0 0 325.384 1.223 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cnn1C ZINC000176557164 442234042 /nfs/dbraw/zinc/23/40/42/442234042.db2.gz FKMOIAJOIQXGQI-UWVGGRQHSA-N 0 0 332.326 1.904 10 0 EDAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176580165 442236772 /nfs/dbraw/zinc/23/67/72/442236772.db2.gz LEGZAWMIANMVQU-ZIAGYGMSSA-N 0 0 333.411 1.289 10 0 EDAERN CCCN(CC)c1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000128133562 442247757 /nfs/dbraw/zinc/24/77/57/442247757.db2.gz QKRBGXCZBGJZAP-SFHVURJKSA-N 0 0 349.475 1.346 10 0 EDAERN CC[C@H](Sc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128140454 442248144 /nfs/dbraw/zinc/24/81/44/442248144.db2.gz JTFPZOCBWMVVIQ-ZBFHGGJFSA-N 0 0 338.473 1.367 10 0 EDAERN Cc1cc(C)n2nc(CC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)nc2n1 ZINC000153093671 442260676 /nfs/dbraw/zinc/26/06/76/442260676.db2.gz IETYLISJANDCOG-FCEWJHQRSA-N 0 0 347.422 1.986 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](CC)[C@@H]3CCCO3)CCO2)[nH]1 ZINC000128362995 442261782 /nfs/dbraw/zinc/26/17/82/442261782.db2.gz AZEZDSKYHNACSC-AGIUHOORSA-N 0 0 337.424 1.408 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCCOC[C@@H]3CCOC3)C2)cn1 ZINC000128399082 442263802 /nfs/dbraw/zinc/26/38/02/442263802.db2.gz GIRAFOPGYUBQFD-GJZGRUSLSA-N 0 0 336.436 1.362 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)s1 ZINC000176913873 442272270 /nfs/dbraw/zinc/27/22/70/442272270.db2.gz RNJQMPXVBXWWNA-JTQLQIEISA-N 0 0 345.471 1.979 10 0 EDAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000128567160 442275146 /nfs/dbraw/zinc/27/51/46/442275146.db2.gz HRDZBXSKAMPWMT-ZBFHGGJFSA-N 0 0 336.436 1.499 10 0 EDAERN COCCOCCS(=O)(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000153367033 442278280 /nfs/dbraw/zinc/27/82/80/442278280.db2.gz JRTPEEWMMBDUPR-CQSZACIVSA-N 0 0 345.465 1.167 10 0 EDAERN CCC[C@@H](C(=O)NCc1cccc(CS(C)(=O)=O)c1)N(C)C ZINC000128666056 442280750 /nfs/dbraw/zinc/28/07/50/442280750.db2.gz MQHBWELBJQWBRW-HNNXBMFYSA-N 0 0 326.462 1.578 10 0 EDAERN C[C@H](NC(=O)NC[C@@](C)(O)c1cccs1)c1nnc2n1CCCC2 ZINC000153488383 442285411 /nfs/dbraw/zinc/28/54/11/442285411.db2.gz HAGDDAIXCLWASQ-MEDUHNTESA-N 0 0 349.460 1.944 10 0 EDAERN CCOCCN1CCN([C@H](C(=O)N(C)C)c2ccccc2)C[C@@H]1C ZINC000170940129 442292797 /nfs/dbraw/zinc/29/27/97/442292797.db2.gz WLJAZPRKVMQADO-WMZOPIPTSA-N 0 0 333.476 1.859 10 0 EDAERN COCCNc1ccccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000128891738 442294321 /nfs/dbraw/zinc/29/43/21/442294321.db2.gz ZRKAQEXKICQKNE-CQSZACIVSA-N 0 0 344.419 1.151 10 0 EDAERN C[C@H](CNC(=O)N1CCOC2(C1)CCCCCC2)N1CCOCC1 ZINC000129018045 442298361 /nfs/dbraw/zinc/29/83/61/442298361.db2.gz LXIIZNADHDASMO-MRXNPFEDSA-N 0 0 339.480 1.842 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000177136712 442303236 /nfs/dbraw/zinc/30/32/36/442303236.db2.gz WKTIZCLRHIMSLZ-SECBINFHSA-N 0 0 342.754 1.829 10 0 EDAERN CC(C)n1nnnc1CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1 ZINC000171048969 442303805 /nfs/dbraw/zinc/30/38/05/442303805.db2.gz LVSUYNJWMCDHOO-HNNXBMFYSA-N 0 0 344.419 1.463 10 0 EDAERN CS(=O)(=O)CC1(CC(=O)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000176805443 442259420 /nfs/dbraw/zinc/25/94/20/442259420.db2.gz LJCFSDUCMIJEPA-LLVKDONJSA-N 0 0 344.458 1.258 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000170764558 442259963 /nfs/dbraw/zinc/25/99/63/442259963.db2.gz JMPQVMFCHVDILE-GJZGRUSLSA-N 0 0 330.384 1.629 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(=O)n(CC)c2)C1 ZINC000171139652 442319089 /nfs/dbraw/zinc/31/90/89/442319089.db2.gz DYSFQSDVSJNHSE-ZDUSSCGKSA-N 0 0 334.420 1.781 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC[C@@H](C)O2)s1 ZINC000154129382 442322732 /nfs/dbraw/zinc/32/27/32/442322732.db2.gz VQYXFAIAHFQPHM-KOLCDFICSA-N 0 0 332.447 1.019 10 0 EDAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171234039 442331472 /nfs/dbraw/zinc/33/14/72/442331472.db2.gz BXURMZJBMYFLEU-HUUCEWRRSA-N 0 0 348.447 1.950 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CSc3nncs3)C2)no1 ZINC000171236142 442332214 /nfs/dbraw/zinc/33/22/14/442332214.db2.gz YYYGLWGXGPJICM-JTQLQIEISA-N 0 0 339.446 1.803 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)no1 ZINC000171240665 442332690 /nfs/dbraw/zinc/33/26/90/442332690.db2.gz JFXFZLCORIXXPG-CQSZACIVSA-N 0 0 331.420 1.752 10 0 EDAERN O=C(NCc1cccc2c1OCO2)N1CCC[C@@H]1Cn1ccnc1 ZINC000177436648 442341259 /nfs/dbraw/zinc/34/12/59/442341259.db2.gz NIQLPNCALKTWEV-CQSZACIVSA-N 0 0 328.372 1.986 10 0 EDAERN CCOC(=O)CC[C@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000130271382 442342767 /nfs/dbraw/zinc/34/27/67/442342767.db2.gz IBTQDOMNHOUURG-KGLIPLIRSA-N 0 0 349.435 1.878 10 0 EDAERN COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000171356611 442343216 /nfs/dbraw/zinc/34/32/16/442343216.db2.gz WWVDRKCLHAMGHK-MRXNPFEDSA-N 0 0 335.452 1.377 10 0 EDAERN O=C(Nc1cccc(F)c1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177520947 442352422 /nfs/dbraw/zinc/35/24/22/442352422.db2.gz YLGUPAFRURMEBZ-LBPRGKRZSA-N 0 0 335.360 1.821 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000177191715 442312001 /nfs/dbraw/zinc/31/20/01/442312001.db2.gz QTBGFZUBMXJYNL-ZDUSSCGKSA-N 0 0 338.502 1.752 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)CCc2ccccc2)C1 ZINC000171111156 442314296 /nfs/dbraw/zinc/31/42/96/442314296.db2.gz SSYUTPOVJIEAPS-INIZCTEOSA-N 0 0 338.473 1.940 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(C)ccc1F)CC2 ZINC000177639072 442365723 /nfs/dbraw/zinc/36/57/23/442365723.db2.gz KAEICNSLBLKZSM-LLVKDONJSA-N 0 0 345.378 1.358 10 0 EDAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177653458 442367053 /nfs/dbraw/zinc/36/70/53/442367053.db2.gz VSPHTBRVOXMABU-CQSZACIVSA-N 0 0 346.362 1.197 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000177654364 442367408 /nfs/dbraw/zinc/36/74/08/442367408.db2.gz NFHXQRONKDGGDE-MRXNPFEDSA-N 0 0 342.399 1.312 10 0 EDAERN CCC(CC)c1nnc(NC(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000171706864 442371905 /nfs/dbraw/zinc/37/19/05/442371905.db2.gz VQLCZDCSBJAJGI-LLVKDONJSA-N 0 0 327.454 1.894 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1Cc2ccccc2O1 ZINC000177701005 442372503 /nfs/dbraw/zinc/37/25/03/442372503.db2.gz CBEKKDHZHVYOGP-TZMCWYRMSA-N 0 0 328.372 1.379 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000155516288 442404276 /nfs/dbraw/zinc/40/42/76/442404276.db2.gz HBMLDIZVYMKMFC-NVXWUHKLSA-N 0 0 343.427 1.832 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3ccnc(Cl)c3)CC2)no1 ZINC000171759020 442378367 /nfs/dbraw/zinc/37/83/67/442378367.db2.gz BTKSQYVMJZJPPL-UHFFFAOYSA-N 0 0 335.795 1.775 10 0 EDAERN CN1C(=O)CC[C@@H](C(=O)NCC(C)(C)C(N)=O)[C@@H]1c1ccccc1 ZINC000171798444 442381493 /nfs/dbraw/zinc/38/14/93/442381493.db2.gz DRZPQMAUYACHLE-HIFRSBDPSA-N 0 0 331.416 1.224 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000171883182 442387384 /nfs/dbraw/zinc/38/73/84/442387384.db2.gz ALKRXBQGDXRTGK-RRGNZLCHSA-N 0 0 343.471 1.301 10 0 EDAERN Cc1noc([C@@H]2COCCN2C(=O)COc2cc(C)ccc2C)n1 ZINC000155401254 442395436 /nfs/dbraw/zinc/39/54/36/442395436.db2.gz CSYRXVIXSTXVAV-AWEZNQCLSA-N 0 0 331.372 1.974 10 0 EDAERN Cn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)ccc1=O ZINC000171993199 442396505 /nfs/dbraw/zinc/39/65/05/442396505.db2.gz OCKYRUDHUOHGJB-CRAIPNDOSA-N 0 0 339.395 1.934 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2ccnc(OC3CCC3)c2)n1 ZINC000155447650 442399484 /nfs/dbraw/zinc/39/94/84/442399484.db2.gz NHZWCGDDMGFVLN-CQSZACIVSA-N 0 0 344.371 1.918 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)CC2 ZINC000172040428 442403030 /nfs/dbraw/zinc/40/30/30/442403030.db2.gz NCEINYCKKVLLEV-CABCVRRESA-N 0 0 343.431 1.058 10 0 EDAERN O=C(Nc1ccc(-c2ncon2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177548889 442355897 /nfs/dbraw/zinc/35/58/97/442355897.db2.gz JEVRSKBQJLKPIT-TZMCWYRMSA-N 0 0 344.371 1.342 10 0 EDAERN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177569132 442358144 /nfs/dbraw/zinc/35/81/44/442358144.db2.gz OJHCAFHSBLMVKA-MNOVXSKESA-N 0 0 337.449 1.177 10 0 EDAERN O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@H](n2cncn2)C1 ZINC000171579347 442358854 /nfs/dbraw/zinc/35/88/54/442358854.db2.gz DZJLPLCQMUCQDW-KRWDZBQOSA-N 0 0 336.399 1.870 10 0 EDAERN CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171586341 442359307 /nfs/dbraw/zinc/35/93/07/442359307.db2.gz UHUDLSYSSODULZ-LBPRGKRZSA-N 0 0 341.408 1.117 10 0 EDAERN O=C(CSc1nnnn1C1CCCC1)N[C@H]1CCCn2ncnc21 ZINC000177581072 442359989 /nfs/dbraw/zinc/35/99/89/442359989.db2.gz WVUDLDTTZQRCTR-NSHDSACASA-N 0 0 348.436 1.123 10 0 EDAERN COc1cccc2c1OCC(C(=O)N[C@H]1CCCn3ncnc31)=C2 ZINC000177593690 442360388 /nfs/dbraw/zinc/36/03/88/442360388.db2.gz DHNYDTAHJWKBMU-ZDUSSCGKSA-N 0 0 326.356 1.714 10 0 EDAERN CNC(=O)Cc1nc(CN2CCc3c(nc(C(C)C)n3C)C2)cs1 ZINC000177600691 442360873 /nfs/dbraw/zinc/36/08/73/442360873.db2.gz DKPYEWLJPDJJTF-UHFFFAOYSA-N 0 0 347.488 1.847 10 0 EDAERN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172080166 442407662 /nfs/dbraw/zinc/40/76/62/442407662.db2.gz OKMYCFIUCIAZLK-IAGOWNOFSA-N 0 0 342.443 1.672 10 0 EDAERN C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nnc2n1CCCC2 ZINC000133227650 442409499 /nfs/dbraw/zinc/40/94/99/442409499.db2.gz XAOLPLSIILASRP-GFCCVEGCSA-N 0 0 337.387 1.686 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000178140798 442411049 /nfs/dbraw/zinc/41/10/49/442411049.db2.gz NIKGNTYZGQTJGK-AAEUAGOBSA-N 0 0 330.388 1.076 10 0 EDAERN Cc1cnn(CCNC(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000172125517 442411658 /nfs/dbraw/zinc/41/16/58/442411658.db2.gz DGHHWPBETWWBEG-UHFFFAOYSA-N 0 0 341.459 1.126 10 0 EDAERN CS(=O)(=O)NCCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178239100 442418265 /nfs/dbraw/zinc/41/82/65/442418265.db2.gz MFZVMWHRRDTWRW-LLVKDONJSA-N 0 0 338.351 1.216 10 0 EDAERN COc1ccccc1-n1cc(S(=O)(=O)NCC(=O)C(C)C)cn1 ZINC000133693701 442430131 /nfs/dbraw/zinc/43/01/31/442430131.db2.gz GLEMXIHHJPNNOS-UHFFFAOYSA-N 0 0 337.401 1.384 10 0 EDAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CCCc3ccccc32)CCO1 ZINC000172266677 442433066 /nfs/dbraw/zinc/43/30/66/442433066.db2.gz OBFGKJUHSPCKBO-NVXWUHKLSA-N 0 0 331.416 1.611 10 0 EDAERN CNC(=O)[C@H](NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)C(C)C ZINC000178403489 442430858 /nfs/dbraw/zinc/43/08/58/442430858.db2.gz CXZKQHNLWPYPTE-QKFKETGDSA-N 0 0 339.461 1.336 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccc(Cn3cncn3)cc2)c1 ZINC000172270641 442433647 /nfs/dbraw/zinc/43/36/47/442433647.db2.gz BCHOPAOKBNKXNA-UHFFFAOYSA-N 0 0 339.403 1.331 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccccc2C)C[C@@H]1C ZINC000172346425 442447453 /nfs/dbraw/zinc/44/74/53/442447453.db2.gz MKMPONMPJJTAHB-HNNXBMFYSA-N 0 0 333.432 1.503 10 0 EDAERN Cn1nccc1C1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000172411349 442456320 /nfs/dbraw/zinc/45/63/20/442456320.db2.gz GJLCFAYXBSFBRX-UHFFFAOYSA-N 0 0 344.390 1.695 10 0 EDAERN CC(=O)CC(C)(C)CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000191667057 442486458 /nfs/dbraw/zinc/48/64/58/442486458.db2.gz VTAMNUBLVXSTBX-LBPRGKRZSA-N 0 0 340.445 1.907 10 0 EDAERN COCCN1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC000191691873 442491385 /nfs/dbraw/zinc/49/13/85/442491385.db2.gz GITQHQOQGGONNM-CYBMUJFWSA-N 0 0 329.400 1.321 10 0 EDAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000186246005 442495338 /nfs/dbraw/zinc/49/53/38/442495338.db2.gz INUCBXOAPSQGBQ-ULQDDVLXSA-N 0 0 339.480 1.696 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@H](C)CS(C)(=O)=O)CC2)cn1 ZINC000172590734 442497757 /nfs/dbraw/zinc/49/77/57/442497757.db2.gz YIDSVWVHHXZEQU-GFCCVEGCSA-N 0 0 342.465 1.225 10 0 EDAERN CC(C)[C@@H](O)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172597431 442499718 /nfs/dbraw/zinc/49/97/18/442499718.db2.gz WOMJGBPJBBGOIL-FZMZJTMJSA-N 0 0 328.434 1.467 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)Nc3nncs3)CC2)cn1 ZINC000172597857 442499767 /nfs/dbraw/zinc/49/97/67/442499767.db2.gz BPWZZZRQUCGPDS-UHFFFAOYSA-N 0 0 349.464 1.884 10 0 EDAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000134620565 442502120 /nfs/dbraw/zinc/50/21/20/442502120.db2.gz ARRQGJRFVZIILT-ZDUSSCGKSA-N 0 0 332.404 1.496 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000186091212 442461766 /nfs/dbraw/zinc/46/17/66/442461766.db2.gz STXYANLANNWQIX-ZDUSSCGKSA-N 0 0 332.379 1.907 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)cn1 ZINC000191785609 442510879 /nfs/dbraw/zinc/51/08/79/442510879.db2.gz LVCSBWLZTXRVKU-AWEZNQCLSA-N 0 0 347.419 1.942 10 0 EDAERN COC[C@H]1CN(C(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CCO1 ZINC000172630822 442509864 /nfs/dbraw/zinc/50/98/64/442509864.db2.gz WQMQQHYYMLJJLM-NVXWUHKLSA-N 0 0 348.443 1.623 10 0 EDAERN O=C(c1cc2ccccc2[nH]c1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753984 442535157 /nfs/dbraw/zinc/53/51/57/442535157.db2.gz AQMWCDJKOZZTOK-CQSZACIVSA-N 0 0 327.384 1.075 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)[C@@H]1CCCO1 ZINC000172767804 442539171 /nfs/dbraw/zinc/53/91/71/442539171.db2.gz BDRUUOIDPXPDKI-IMJJTQAJSA-N 0 0 331.416 1.618 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)/C=C/c1ccc(OC)c(O)c1)CC2 ZINC000186478759 442543044 /nfs/dbraw/zinc/54/30/44/442543044.db2.gz ZJJCRTQZYIPPBD-NEXMIYJRSA-N 0 0 342.399 1.699 10 0 EDAERN CC[C@@H]1CN(C(=O)c2sc(COC)nc2C)CCN1CCOC ZINC000135102683 442555513 /nfs/dbraw/zinc/55/55/13/442555513.db2.gz PDMLZXIXLYXDHD-CYBMUJFWSA-N 0 0 341.477 1.781 10 0 EDAERN CN(CC(=O)N[C@@H]1CCCC[C@@H]1CO)C(=O)OCc1ccccc1 ZINC000191853075 442523734 /nfs/dbraw/zinc/52/37/34/442523734.db2.gz UCENSGPYEWSMAA-HZPDHXFCSA-N 0 0 334.416 1.922 10 0 EDAERN O=C(Cc1coc(-c2cccs2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172743221 442530381 /nfs/dbraw/zinc/53/03/81/442530381.db2.gz LSPNJCWDAZJZNB-CQSZACIVSA-N 0 0 347.440 1.879 10 0 EDAERN COCCCOc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000172742882 442530719 /nfs/dbraw/zinc/53/07/19/442530719.db2.gz MOFOBROFDLZYPH-QGZVFWFLSA-N 0 0 348.443 1.649 10 0 EDAERN COc1ccc(CCS(=O)(=O)Cc2nnc(C3CC3)n2C)cc1 ZINC000180043694 442532429 /nfs/dbraw/zinc/53/24/29/442532429.db2.gz HIXWSKYNDSIKBD-UHFFFAOYSA-N 0 0 335.429 1.859 10 0 EDAERN O=C(COc1ccc(F)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000172748470 442532402 /nfs/dbraw/zinc/53/24/02/442532402.db2.gz NVBGIBXAUFJNDY-ZDUSSCGKSA-N 0 0 342.798 1.791 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnc(-c2ccccc2F)s1 ZINC000180266463 442569876 /nfs/dbraw/zinc/56/98/76/442569876.db2.gz FYGDSGWYWGRXDU-NSHDSACASA-N 0 0 335.360 1.276 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000180274436 442571846 /nfs/dbraw/zinc/57/18/46/442571846.db2.gz PIEDICWDEIVKNY-INIZCTEOSA-N 0 0 326.352 1.805 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccc(C)cc1F ZINC000192024781 442571928 /nfs/dbraw/zinc/57/19/28/442571928.db2.gz LYXYPACMPNUASK-CQSZACIVSA-N 0 0 338.408 1.989 10 0 EDAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186678934 442589906 /nfs/dbraw/zinc/58/99/06/442589906.db2.gz BCENKLQMBLAFMS-ZBFHGGJFSA-N 0 0 339.480 1.504 10 0 EDAERN O=C(NC1CC1)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000179269268 442608981 /nfs/dbraw/zinc/60/89/81/442608981.db2.gz RDSSFPUWAXJDQI-QGZVFWFLSA-N 0 0 327.428 1.889 10 0 EDAERN Cc1nn(Cc2ccccc2)c(Cl)c1CN1C[C@H](O)C[C@@H]1CO ZINC000179175461 442590431 /nfs/dbraw/zinc/59/04/31/442590431.db2.gz APOPJHQCIAQFFO-HUUCEWRRSA-N 0 0 335.835 1.821 10 0 EDAERN CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)OCc1ccccc1 ZINC000179241438 442603746 /nfs/dbraw/zinc/60/37/46/442603746.db2.gz MIAXVCOLGLSDRT-HNNXBMFYSA-N 0 0 340.379 1.707 10 0 EDAERN COCC1=CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 ZINC000186744770 442603780 /nfs/dbraw/zinc/60/37/80/442603780.db2.gz PZHKAESOFYJPSF-YOEHRIQHSA-N 0 0 341.473 1.990 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)c2ccnc(S(N)(=O)=O)c2)cc1 ZINC000186746680 442605077 /nfs/dbraw/zinc/60/50/77/442605077.db2.gz SINDLFCVTBPZAL-LLVKDONJSA-N 0 0 333.413 1.782 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000180253958 442566808 /nfs/dbraw/zinc/56/68/08/442566808.db2.gz MQFCSMYDQRMDAQ-RHSMWYFYSA-N 0 0 345.443 1.421 10 0 EDAERN C[C@@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1nnc2n1CCCC2 ZINC000136304615 442658614 /nfs/dbraw/zinc/65/86/14/442658614.db2.gz XHLGLXLOEODWGY-CHWSQXEVSA-N 0 0 346.435 1.871 10 0 EDAERN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@H]1CNC(=O)C1 ZINC000173224097 442627508 /nfs/dbraw/zinc/62/75/08/442627508.db2.gz BXGMWIOMCQQQMR-SECBINFHSA-N 0 0 336.804 1.857 10 0 EDAERN Cc1nnc([C@H]2CN(Cc3ncn(-c4ccccc4)n3)CCO2)[nH]1 ZINC000179355784 442629910 /nfs/dbraw/zinc/62/99/10/442629910.db2.gz CPAGOAGJBCLEFW-CQSZACIVSA-N 0 0 325.376 1.267 10 0 EDAERN CCCn1cc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000181026666 442675477 /nfs/dbraw/zinc/67/54/77/442675477.db2.gz JFVYPXRKYOLXSM-OAHLLOKOSA-N 0 0 328.420 1.824 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C1 ZINC000181046966 442677902 /nfs/dbraw/zinc/67/79/02/442677902.db2.gz XLBYPKOACWXUSF-ZDUSSCGKSA-N 0 0 344.415 1.801 10 0 EDAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000181050240 442677927 /nfs/dbraw/zinc/67/79/27/442677927.db2.gz OBKXAGIZILEOPT-AWEZNQCLSA-N 0 0 331.424 1.395 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@]12CCOC2=O ZINC000187512136 442679468 /nfs/dbraw/zinc/67/94/68/442679468.db2.gz UHQCSQLEJVRPKH-BDJLRTHQSA-N 0 0 333.392 1.167 10 0 EDAERN CC[C@@H](CSC)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000181137234 442681719 /nfs/dbraw/zinc/68/17/19/442681719.db2.gz GUOWFVHZFLWCIM-WDEREUQCSA-N 0 0 327.454 1.700 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1F ZINC000181328746 442690537 /nfs/dbraw/zinc/69/05/37/442690537.db2.gz KPKXTQKGEMWUNH-ZDUSSCGKSA-N 0 0 328.409 1.229 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000192974017 442702761 /nfs/dbraw/zinc/70/27/61/442702761.db2.gz RTIGRDMVWWOUEL-UHFFFAOYSA-N 0 0 347.444 1.672 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000136311082 442659294 /nfs/dbraw/zinc/65/92/94/442659294.db2.gz OUZQTHCYHHYLQL-JSGCOSHPSA-N 0 0 332.404 1.324 10 0 EDAERN CNS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000187233065 442662389 /nfs/dbraw/zinc/66/23/89/442662389.db2.gz AIHXYLUJVRPHDU-LBPRGKRZSA-N 0 0 327.450 1.719 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccccc2SC)C[C@@H]1C ZINC000187239907 442662903 /nfs/dbraw/zinc/66/29/03/442662903.db2.gz PZYJPPFPEGRUIM-ZDUSSCGKSA-N 0 0 344.502 1.750 10 0 EDAERN Cc1ccc(CS(=O)(=O)N2CCC[C@H](n3cncn3)C2)c(F)c1 ZINC000192638977 442671397 /nfs/dbraw/zinc/67/13/97/442671397.db2.gz AGAABLARIFEAEI-AWEZNQCLSA-N 0 0 338.408 1.893 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(CC(=O)OC)c2)C1 ZINC000187397156 442673862 /nfs/dbraw/zinc/67/38/62/442673862.db2.gz RNPIRSFGOISQJN-INIZCTEOSA-N 0 0 346.427 1.923 10 0 EDAERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCC(Cn2cccn2)CC1 ZINC000181995582 442726398 /nfs/dbraw/zinc/72/63/98/442726398.db2.gz KNESAYMVFARMPB-OAHLLOKOSA-N 0 0 345.447 1.316 10 0 EDAERN CCn1ncnc1CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000193337949 442734048 /nfs/dbraw/zinc/73/40/48/442734048.db2.gz MKCZIOZYONIPSH-AWEZNQCLSA-N 0 0 335.477 1.865 10 0 EDAERN Cc1n[nH]c(C)c1CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188428422 442748959 /nfs/dbraw/zinc/74/89/59/442748959.db2.gz XNZHGWQZMNQPFD-SFHVURJKSA-N 0 0 342.443 1.447 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188452904 442752039 /nfs/dbraw/zinc/75/20/39/442752039.db2.gz ZSUHAGLXLRKLSR-UHFFFAOYSA-N 0 0 342.428 1.927 10 0 EDAERN Cc1cc(COCC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)on1 ZINC000193549890 442752514 /nfs/dbraw/zinc/75/25/14/442752514.db2.gz AHTJUTCEZZZBGT-GFCCVEGCSA-N 0 0 333.392 1.346 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000188481270 442755209 /nfs/dbraw/zinc/75/52/09/442755209.db2.gz QOZABISOPDKKIY-MWLCHTKSSA-N 0 0 330.356 1.922 10 0 EDAERN Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCCNC(=O)[C@H]3C)C2=O)c1 ZINC000188085086 442709470 /nfs/dbraw/zinc/70/94/70/442709470.db2.gz BLNOGLZGWRVFCO-ZBFHGGJFSA-N 0 0 343.427 1.393 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)OCc1ccccc1)CC2 ZINC000181701683 442711420 /nfs/dbraw/zinc/71/14/20/442711420.db2.gz XBUDBEMWHCSOGT-AWEZNQCLSA-N 0 0 329.404 1.929 10 0 EDAERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193821890 442792887 /nfs/dbraw/zinc/79/28/87/442792887.db2.gz QPFUXFDWBJORQO-KBAYOESNSA-N 0 0 345.443 1.096 10 0 EDAERN COc1cccc(SCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246607617 442796781 /nfs/dbraw/zinc/79/67/81/442796781.db2.gz CAGWMPSKRYMGEU-KBPBESRZSA-N 0 0 338.473 1.701 10 0 EDAERN COCCC[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182628403 442798387 /nfs/dbraw/zinc/79/83/87/442798387.db2.gz LJWWLBVXLRQOKY-NWDGAFQWSA-N 0 0 328.434 1.574 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000246646516 442799398 /nfs/dbraw/zinc/79/93/98/442799398.db2.gz FZXPHOZVZZAUQO-VYDXJSESSA-N 0 0 341.496 1.087 10 0 EDAERN C[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1cccs1 ZINC000188588622 442765648 /nfs/dbraw/zinc/76/56/48/442765648.db2.gz RBCZNSDTGOYQMJ-LLVKDONJSA-N 0 0 330.413 1.570 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1csc(-c2ccccn2)n1 ZINC000188859871 442830201 /nfs/dbraw/zinc/83/02/01/442830201.db2.gz VFLACZYTBRFWBO-LLVKDONJSA-N 0 0 330.413 1.485 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1nc(Br)cs1 ZINC000188866035 442830934 /nfs/dbraw/zinc/83/09/34/442830934.db2.gz REYRUUKQHVBSHU-ZCFIWIBFSA-N 0 0 328.195 1.242 10 0 EDAERN C[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000193902384 442808826 /nfs/dbraw/zinc/80/88/26/442808826.db2.gz LWTGCFKVPXBSKW-HUBLWGQQSA-N 0 0 325.430 1.940 10 0 EDAERN CCc1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)cc1S(C)(=O)=O ZINC000188944429 442846841 /nfs/dbraw/zinc/84/68/41/442846841.db2.gz WIMXRCDLDBCKEB-NSHDSACASA-N 0 0 338.429 1.003 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCCn2ccnn2)C1 ZINC000182987724 442860507 /nfs/dbraw/zinc/86/05/07/442860507.db2.gz LCIDGTYBBUFORA-STQMWFEESA-N 0 0 337.424 1.478 10 0 EDAERN CCCN1CCCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1=O ZINC000189054876 442868036 /nfs/dbraw/zinc/86/80/36/442868036.db2.gz OPXIISDOZZNTRQ-AWEZNQCLSA-N 0 0 346.431 1.668 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000189067835 442870536 /nfs/dbraw/zinc/87/05/36/442870536.db2.gz VLQNKAWUJJQLNN-ZJPYXAASSA-N 0 0 330.428 1.496 10 0 EDAERN COCCN1CCN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1C ZINC000183055992 442871385 /nfs/dbraw/zinc/87/13/85/442871385.db2.gz RJQURLBXJVKJSM-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN CCOc1ncccc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171816898 318437033 /nfs/dbraw/zinc/43/70/33/318437033.db2.gz JZNKRKKSWWBERG-ZDUSSCGKSA-N 0 0 331.376 1.610 10 0 EDAERN CN(C)c1cccc(CCC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000194296786 442872817 /nfs/dbraw/zinc/87/28/17/442872817.db2.gz FJXMTYHBDUJLRX-SFHVURJKSA-N 0 0 342.443 1.809 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000189107634 442878812 /nfs/dbraw/zinc/87/88/12/442878812.db2.gz ZVOGLZSQMBTQOC-ZDUSSCGKSA-N 0 0 330.392 1.073 10 0 EDAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3c(C)noc3C)CCO2)cn1 ZINC000189223819 442900583 /nfs/dbraw/zinc/90/05/83/442900583.db2.gz KZFDMMBNNWOJKK-ZDUSSCGKSA-N 0 0 340.405 1.270 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000189229651 442901773 /nfs/dbraw/zinc/90/17/73/442901773.db2.gz QTUJCHRSFBKQTB-HOLCONJYSA-N 0 0 334.391 1.547 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)o1 ZINC000183218783 442906174 /nfs/dbraw/zinc/90/61/74/442906174.db2.gz AQJKASPVDWYTEG-LLVKDONJSA-N 0 0 334.376 1.375 10 0 EDAERN CNS(=O)(=O)c1cccc([C@H](C)NCc2nnnn2C(C)C)c1 ZINC000181944471 318493424 /nfs/dbraw/zinc/49/34/24/318493424.db2.gz IIUFDRBNQRLGTJ-NSHDSACASA-N 0 0 338.437 1.013 10 0 EDAERN Cc1cc(F)ccc1-n1cc(C(=O)N2CC(NC(=O)C3CC3)C2)nn1 ZINC000189421188 442948858 /nfs/dbraw/zinc/94/88/58/442948858.db2.gz ATRZZTQOSGZRKI-UHFFFAOYSA-N 0 0 343.362 1.065 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)CCc3nnc[nH]3)C[C@@H]21 ZINC000183247082 442911568 /nfs/dbraw/zinc/91/15/68/442911568.db2.gz JFCFUXHXASXIIL-RWMBFGLXSA-N 0 0 349.435 1.499 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(COC)no2)ncn1 ZINC000183090283 318518514 /nfs/dbraw/zinc/51/85/14/318518514.db2.gz DRQUHBSACVYTJQ-VXGBXAGGSA-N 0 0 347.423 1.367 10 0 EDAERN COc1cc(C(=O)NC[C@H]2CN(C)CCO2)ccc1OCC(C)C ZINC000194635919 442929310 /nfs/dbraw/zinc/92/93/10/442929310.db2.gz BERNGZJKIWHEPU-HNNXBMFYSA-N 0 0 336.432 1.790 10 0 EDAERN Cn1cnc(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1 ZINC000184082062 318531121 /nfs/dbraw/zinc/53/11/21/318531121.db2.gz QPAHQYFYVISYLO-UHFFFAOYSA-N 0 0 338.202 1.992 10 0 EDAERN COc1ccc2c(c1)[nH]nc2NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000194815229 442957110 /nfs/dbraw/zinc/95/71/10/442957110.db2.gz KJDGHTLDGHONNL-SECBINFHSA-N 0 0 328.328 1.922 10 0 EDAERN O=C(NC1CN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1)C1CC1 ZINC000189468345 442961621 /nfs/dbraw/zinc/96/16/21/442961621.db2.gz LPMWLUYRXNLYHI-KRWDZBQOSA-N 0 0 344.411 1.595 10 0 EDAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189479796 442964434 /nfs/dbraw/zinc/96/44/34/442964434.db2.gz YKQQOESHTAMTMW-BDJLRTHQSA-N 0 0 341.411 1.632 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000183797155 442966033 /nfs/dbraw/zinc/96/60/33/442966033.db2.gz OFDMPBNJMIQTGR-CQSZACIVSA-N 0 0 333.436 1.318 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)N1CCCCCC1 ZINC000249330431 442966241 /nfs/dbraw/zinc/96/62/41/442966241.db2.gz OYOMDPWWWYIRJF-KFWWJZLASA-N 0 0 344.477 1.913 10 0 EDAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189507353 442969916 /nfs/dbraw/zinc/96/99/16/442969916.db2.gz DXSDVTVGBPPDFE-UHFFFAOYSA-N 0 0 326.352 1.452 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCC1CCOCC1)C(C)C ZINC000194979549 442973343 /nfs/dbraw/zinc/97/33/43/442973343.db2.gz IWRYWPZZGDRNFW-QGZVFWFLSA-N 0 0 348.443 1.992 10 0 EDAERN Cn1c2ccc(CN3CCO[C@H](Cn4cccn4)C3)cc2sc1=O ZINC000195013746 442976297 /nfs/dbraw/zinc/97/62/97/442976297.db2.gz ZLAOMUZBXXHBFX-AWEZNQCLSA-N 0 0 344.440 1.698 10 0 EDAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189430019 442950671 /nfs/dbraw/zinc/95/06/71/442950671.db2.gz MECIWEPVAAHITB-BZNIZROVSA-N 0 0 341.411 1.632 10 0 EDAERN Cc1cc(Br)c2c(c1)CN(C(=O)[C@H]1CNC(=O)C1)CC2 ZINC000189428760 442950876 /nfs/dbraw/zinc/95/08/76/442950876.db2.gz HSJPTTXXEFOJEJ-SNVBAGLBSA-N 0 0 337.217 1.778 10 0 EDAERN CCN1C(=O)CCc2cc(NC(=O)NC[C@@H]3CN(C)CCO3)ccc21 ZINC000184678905 443057714 /nfs/dbraw/zinc/05/77/14/443057714.db2.gz OAZYGTUYHZUKBC-OAHLLOKOSA-N 0 0 346.431 1.438 10 0 EDAERN Cc1cc(C)c(NC(=O)[C@H](C)N2C[C@H](O)C[C@@H]2CO)c(Cl)c1 ZINC000184740363 443069992 /nfs/dbraw/zinc/06/99/92/443069992.db2.gz MIMVYUGLFLJAMK-YNEHKIRRSA-N 0 0 326.824 1.711 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000190259876 443077777 /nfs/dbraw/zinc/07/77/77/443077777.db2.gz XPZPEWQGVLZDIW-ZFWWWQNUSA-N 0 0 325.430 1.782 10 0 EDAERN COC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000190546496 443133571 /nfs/dbraw/zinc/13/35/71/443133571.db2.gz IVFXAQPJPTVOGL-IRXDYDNUSA-N 0 0 335.448 1.216 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C\c1cncc(C)c1 ZINC000255833786 443111355 /nfs/dbraw/zinc/11/13/55/443111355.db2.gz RKAOWEOQSDNSON-GEXIGZQTSA-N 0 0 327.388 1.792 10 0 EDAERN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000185007415 443116919 /nfs/dbraw/zinc/11/69/19/443116919.db2.gz VTCVJSBGYGUXSB-YQQAZPJKSA-N 0 0 336.432 1.773 10 0 EDAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2nncn2C)CC1 ZINC000190507047 443123165 /nfs/dbraw/zinc/12/31/65/443123165.db2.gz YWQWTNYAKFDILI-CQSZACIVSA-N 0 0 337.468 1.443 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccccc2C)CC1)C(=O)[O-] ZINC000185043072 443123931 /nfs/dbraw/zinc/12/39/31/443123931.db2.gz IGGQLKHNRZNKED-QGZVFWFLSA-N 0 0 347.459 1.482 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCC(O)(c2ccccc2)CC1 ZINC000185049060 443125806 /nfs/dbraw/zinc/12/58/06/443125806.db2.gz YPMJREUTIMBEAY-OAHLLOKOSA-N 0 0 341.415 1.806 10 0 EDAERN C[C@@H]1CC[C@H](C[NH+]2CCN(C[C@H](O)COc3ccccc3)CC2)O1 ZINC000190527082 443128520 /nfs/dbraw/zinc/12/85/20/443128520.db2.gz OBSJZMUPKLNTTM-ZIFCJYIRSA-N 0 0 334.460 1.611 10 0 EDAERN NC(=O)c1ccc(I)c(OC(F)(F)F)n1 ZINC000238622226 443196315 /nfs/dbraw/zinc/19/63/15/443196315.db2.gz RYZRQABOKUSDAR-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000185260277 443172012 /nfs/dbraw/zinc/17/20/12/443172012.db2.gz VFVVMQBAWOKQRV-UHFFFAOYSA-N 0 0 349.774 1.582 10 0 EDAERN CCn1cc([C@H]2CN(CCCS(=O)(=O)C(C)C)CCO2)cn1 ZINC000190736255 443174047 /nfs/dbraw/zinc/17/40/47/443174047.db2.gz PQCUMOMUJVCDEP-OAHLLOKOSA-N 0 0 329.466 1.490 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c(C)c1 ZINC000190767387 443179223 /nfs/dbraw/zinc/17/92/23/443179223.db2.gz MQHZZSMYHJFSQO-CQSZACIVSA-N 0 0 342.399 1.830 10 0 EDAERN COc1cc(-c2nc(CN3C[C@@H](O)C[C@@H]3CO)cs2)ccc1O ZINC000185187264 443157139 /nfs/dbraw/zinc/15/71/39/443157139.db2.gz FQSNGNCIHPYMNE-OLZOCXBDSA-N 0 0 336.413 1.452 10 0 EDAERN COC(=O)Cn1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000185680376 443238044 /nfs/dbraw/zinc/23/80/44/443238044.db2.gz YWGKDKHBPZJVPD-GFCCVEGCSA-N 0 0 332.364 1.538 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000190872696 443201010 /nfs/dbraw/zinc/20/10/10/443201010.db2.gz XPZAQUNASGQINI-HOCLYGCPSA-N 0 0 334.416 1.481 10 0 EDAERN COC1(C(=O)N2CCCN(Cc3noc(C)n3)CC2)CCCCC1 ZINC000185549663 443217905 /nfs/dbraw/zinc/21/79/05/443217905.db2.gz SNSKPIRAFVBVCC-UHFFFAOYSA-N 0 0 336.436 1.762 10 0 EDAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(CC(=O)OC)n1 ZINC000191132593 443246246 /nfs/dbraw/zinc/24/62/46/443246246.db2.gz LICWKJDNDMXHPC-AWEZNQCLSA-N 0 0 334.420 1.745 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)c2ccccc2)C12CCOCC2 ZINC000185983268 443293757 /nfs/dbraw/zinc/29/37/57/443293757.db2.gz NMHBAYUAXIDWNA-GVDBMIGSSA-N 0 0 348.443 1.993 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cccnc1OC1CCCC1 ZINC000191237268 443264237 /nfs/dbraw/zinc/26/42/37/443264237.db2.gz FJULETDATZGYTH-CYBMUJFWSA-N 0 0 346.431 1.823 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CC(c3cccnc3)=NO2)cn1 ZINC000191244667 443264795 /nfs/dbraw/zinc/26/47/95/443264795.db2.gz GOSPWUMUNSIBRR-CVEARBPZSA-N 0 0 325.372 1.672 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000191484053 443301543 /nfs/dbraw/zinc/30/15/43/443301543.db2.gz ASBBMWJANKXYES-AWEZNQCLSA-N 0 0 335.791 1.040 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc(C(C)C)n(-c3ccccc3)n2)C1 ZINC000191491224 443302522 /nfs/dbraw/zinc/30/25/22/443302522.db2.gz BLDHAAIZTMTZIC-UHFFFAOYSA-N 0 0 326.400 1.956 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCOC2)C1)C(C)C ZINC000186011673 443297537 /nfs/dbraw/zinc/29/75/37/443297537.db2.gz UUZSJQFMTZEDMQ-RDJZCZTQSA-N 0 0 326.437 1.191 10 0 EDAERN Cc1cccnc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328656382 444417620 /nfs/dbraw/zinc/41/76/20/444417620.db2.gz ZGYLZXRNVMXVIU-HOTGVXAUSA-N 0 0 343.406 1.865 10 0 EDAERN CCc1noc([C@@]2(O)CCN(C(=O)c3cccc4c3OCO4)C2)n1 ZINC000373081375 446014268 /nfs/dbraw/zinc/01/42/68/446014268.db2.gz STRLQTWGYFQXGK-MRXNPFEDSA-N 0 0 331.328 1.094 10 0 EDAERN COc1ccc(I)c(F)c1S(N)(=O)=O ZINC000575706417 447882078 /nfs/dbraw/zinc/88/20/78/447882078.db2.gz ZPMLRMYBKCWRHL-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C)c2)nn1 ZINC000583242232 448428136 /nfs/dbraw/zinc/42/81/36/448428136.db2.gz OXGZUWIFRXHVKW-IUODEOHRSA-N 0 0 339.399 1.926 10 0 EDAERN CC(C)Oc1nccnc1N1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616649 448443159 /nfs/dbraw/zinc/44/31/59/448443159.db2.gz VHFWCHAYCKZRHM-MRXNPFEDSA-N 0 0 332.408 1.534 10 0 EDAERN O=C(CCOc1ccc(F)cc1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617769 448444570 /nfs/dbraw/zinc/44/45/70/448444570.db2.gz QLIJWBUKXXDEFK-INIZCTEOSA-N 0 0 334.351 1.223 10 0 EDAERN O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617850 448447138 /nfs/dbraw/zinc/44/71/38/448447138.db2.gz ZJGMREUNNKISLD-QGZVFWFLSA-N 0 0 338.371 1.114 10 0 EDAERN CC(=O)N1C[C@@H](NC(=O)CCc2cnn(C)c2)CC[C@H]1C(F)(F)F ZINC000583618401 448447374 /nfs/dbraw/zinc/44/73/74/448447374.db2.gz TWSVSYVKKXGISI-STQMWFEESA-N 0 0 346.353 1.411 10 0 EDAERN CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2[C@H](O)[C@@H]2OC(C)(C)O[C@H]21 ZINC000575231881 449064659 /nfs/dbraw/zinc/06/46/59/449064659.db2.gz VPKJZKUJGTXJPV-CLSQCYNNSA-N 0 0 332.393 1.169 10 0 EDAERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000614638280 449732395 /nfs/dbraw/zinc/73/23/95/449732395.db2.gz YFTMYGYJEWQQDR-RJZRQDKASA-N 0 0 334.420 1.267 10 0 EDAERN CN1C[C@@H](CNC(=O)c2cc(Br)ccc2F)CC1=O ZINC000619010957 450378812 /nfs/dbraw/zinc/37/88/12/450378812.db2.gz ABDHXJSYTHDEHY-MRVPVSSYSA-N 0 0 329.169 1.796 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)COc3c(C)nn(C)c3C)C[C@@H](C)O2)o1 ZINC000619284846 450445901 /nfs/dbraw/zinc/44/59/01/450445901.db2.gz YXMHCNBWWHVRIV-NOZJJQNGSA-N 0 0 349.391 1.096 10 0 EDAERN Nc1ncccc1[C@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616592322 450453852 /nfs/dbraw/zinc/45/38/52/450453852.db2.gz CZLICFGFEWBBBL-OAHLLOKOSA-N 0 0 333.413 1.816 10 0 EDAERN NS(=O)(=O)N1C[C@H](c2cccc3nnccc32)Cc2ccccc21 ZINC000616592874 450454622 /nfs/dbraw/zinc/45/46/22/450454622.db2.gz MBDBSPJBFPYJBM-CYBMUJFWSA-N 0 0 340.408 1.980 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2cc(N)n[nH]2)CC1 ZINC000616665672 450458924 /nfs/dbraw/zinc/45/89/24/450458924.db2.gz RJTMGNJJYPAFHS-LBPRGKRZSA-N 0 0 325.413 1.280 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H](C)O2)n1 ZINC000628857701 451441684 /nfs/dbraw/zinc/44/16/84/451441684.db2.gz KBRHTTLHNGUMAI-NOZJJQNGSA-N 0 0 332.360 1.847 10 0 EDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nnnn2-c2ccccc2)C1 ZINC000643859990 452754822 /nfs/dbraw/zinc/75/48/22/452754822.db2.gz XASVTBFGLZULTK-KGLIPLIRSA-N 0 0 325.376 1.347 10 0 EDAERN Cc1c(NC(=O)CN2CCCC[C@H](O)C2=O)cnn1-c1ccccc1 ZINC000644404545 453414968 /nfs/dbraw/zinc/41/49/68/453414968.db2.gz ZLSLTXVGPSFTEJ-INIZCTEOSA-N 0 0 342.399 1.493 10 0 EDAERN COc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1C ZINC000074775000 486798491 /nfs/dbraw/zinc/79/84/91/486798491.db2.gz IFTHFMLOGBKQQP-AWEZNQCLSA-N 0 0 342.461 1.263 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)COC2 ZINC000092047358 491201560 /nfs/dbraw/zinc/20/15/60/491201560.db2.gz WUVDEMPVGVLRBW-OAHLLOKOSA-N 0 0 338.429 1.860 10 0 EDAERN O[C@H](COc1ccccc1)CN1CCN(Cc2cncnc2)CC1 ZINC000122673371 491001013 /nfs/dbraw/zinc/00/10/13/491001013.db2.gz MRWWDCSKYGETHO-KRWDZBQOSA-N 0 0 328.416 1.034 10 0 EDAERN O=C(N[C@H]1CCOC[C@H]1O)c1cccc(Br)c1Cl ZINC000629245882 501065085 /nfs/dbraw/zinc/06/50/85/501065085.db2.gz QZCXDBYLZJKJOW-VHSXEESVSA-N 0 0 334.597 1.982 10 0 EDAERN C[C@H]1CN(C(=O)Cc2cnc3ccccc3c2)C[C@@H]1N1CCOCC1 ZINC000131631871 533838825 /nfs/dbraw/zinc/83/88/25/533838825.db2.gz HTYKJOCAUVBFBA-KXBFYZLASA-N 0 0 339.439 1.956 10 0 EDAERN Cc1cc(F)ccc1CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000132658059 533869663 /nfs/dbraw/zinc/86/96/63/533869663.db2.gz JMPAXWLAWGCGLZ-KRWDZBQOSA-N 0 0 346.406 1.984 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(C)cc3)C2=O)n(C)n1 ZINC000175008415 533895195 /nfs/dbraw/zinc/89/51/95/533895195.db2.gz PJXYJQQYPSNORP-INIZCTEOSA-N 0 0 340.427 1.891 10 0 EDAERN C[C@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(Cl)c1 ZINC000181419232 533943925 /nfs/dbraw/zinc/94/39/25/533943925.db2.gz AAHVWLTXGWEFRN-VIFPVBQESA-N 0 0 347.806 1.465 10 0 EDAERN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180269383 533947797 /nfs/dbraw/zinc/94/77/97/533947797.db2.gz IVYHITQPURSCQO-PSASIEDQSA-N 0 0 347.198 1.473 10 0 EDAERN COc1ccccc1C(=O)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000183763744 533960380 /nfs/dbraw/zinc/96/03/80/533960380.db2.gz ZDOHKKLSKOQQMX-CQSZACIVSA-N 0 0 343.383 1.310 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(N)c(Br)c2)CC[C@@H]1O ZINC000165995559 533969242 /nfs/dbraw/zinc/96/92/42/533969242.db2.gz NJUZUANWUOSMFP-UFBFGSQYSA-N 0 0 349.250 1.423 10 0 EDAERN C[C@H](CC[S@](C)=O)NC(=O)c1sc(NC(C)(C)C)nc1N ZINC000163720808 533980035 /nfs/dbraw/zinc/98/00/35/533980035.db2.gz XNEVEEWXEJAANW-IJSAXESFSA-N 0 0 332.495 1.823 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[S@](C)=O ZINC000159602096 534073183 /nfs/dbraw/zinc/07/31/83/534073183.db2.gz HTHDGERWNQKBFQ-AHGSNSTDSA-N 0 0 341.867 1.095 10 0 EDAERN COc1ccccc1O[C@@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177359045 534207648 /nfs/dbraw/zinc/20/76/48/534207648.db2.gz GRIQCNKFPLPQEQ-STQMWFEESA-N 0 0 345.403 1.888 10 0 EDAERN COC(=O)c1cccc(NC(=O)[C@@]2(C)CC(=O)N=C3C=CC=CN32)c1 ZINC000170575278 534275792 /nfs/dbraw/zinc/27/57/92/534275792.db2.gz OXJCWDQWDNFVDK-GOSISDBHSA-N 0 0 339.351 1.885 10 0 EDAERN O=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@H]1CCCn2ncnc21 ZINC000177366441 534540300 /nfs/dbraw/zinc/54/03/00/534540300.db2.gz BWXXKGHIYFGJKH-QWHCGFSZSA-N 0 0 335.795 1.799 10 0 EDAERN O=C(CN1CSCC1=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174852534 534552583 /nfs/dbraw/zinc/55/25/83/534552583.db2.gz BKZABIRPQJJGEE-LSDHHAIUSA-N 0 0 334.441 1.634 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(F)c(F)cc1Cl ZINC000154114667 534624889 /nfs/dbraw/zinc/62/48/89/534624889.db2.gz BPNOLQWSWLOHJQ-VIFPVBQESA-N 0 0 334.750 1.041 10 0 EDAERN O=C(CSc1ccc(Cl)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000154151244 534670583 /nfs/dbraw/zinc/67/05/83/534670583.db2.gz LDKJWTCPAZTMCJ-CYBMUJFWSA-N 0 0 344.864 1.241 10 0 EDAERN C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)CC(C)(C)O1 ZINC000188648439 524808163 /nfs/dbraw/zinc/80/81/63/524808163.db2.gz RIMGLEAYCRFARK-CQSZACIVSA-N 0 0 345.443 1.894 10 0 EDAERN CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCc1ccccc1 ZINC000172914396 526411516 /nfs/dbraw/zinc/41/15/16/526411516.db2.gz SOHZEUYMJQWRBV-HNNXBMFYSA-N 0 0 334.416 1.981 10 0 EDAERN CC(C)(C)c1csc(CNC(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000187032784 526833108 /nfs/dbraw/zinc/83/31/08/526833108.db2.gz LHNDSGHFFDOIQF-UHFFFAOYSA-N 0 0 336.461 1.861 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171705559 527360546 /nfs/dbraw/zinc/36/05/46/527360546.db2.gz NFNSJNZHHYHNSV-MRXNPFEDSA-N 0 0 327.388 1.756 10 0 EDAERN CC(C)CCc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000183365644 527867334 /nfs/dbraw/zinc/86/73/34/527867334.db2.gz JJIUJVYFSXGUBD-HNNXBMFYSA-N 0 0 340.445 1.150 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)CC(C)(C)CC(=O)OC)C1 ZINC000136809224 527949458 /nfs/dbraw/zinc/94/94/58/527949458.db2.gz LMBLCOUCWDJMRM-ZDUSSCGKSA-N 0 0 326.437 1.873 10 0 EDAERN CCNC(=O)[C@@H](C)Oc1ccc(Br)cc1C(N)=S ZINC000157489007 528196242 /nfs/dbraw/zinc/19/62/42/528196242.db2.gz IUKRVXUFNLLKFJ-SSDOTTSWSA-N 0 0 331.235 1.987 10 0 EDAERN CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165892131 528220930 /nfs/dbraw/zinc/22/09/30/528220930.db2.gz WGYDLFRTVUYEQX-LURJTMIESA-N 0 0 340.232 1.379 10 0 EDAERN CCNCc1ncn(Cc2c(Br)c(CC)nn2CC)n1 ZINC000167510192 528359233 /nfs/dbraw/zinc/35/92/33/528359233.db2.gz DOBOBWFNOCVIIY-UHFFFAOYSA-N 0 0 341.257 1.977 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000184284342 528478421 /nfs/dbraw/zinc/47/84/21/528478421.db2.gz DJZDKPYVNCOLCW-GFCCVEGCSA-N 0 0 347.337 1.833 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000184221690 528483042 /nfs/dbraw/zinc/48/30/42/528483042.db2.gz BGEVOVDJACROOH-INIZCTEOSA-N 0 0 333.432 1.034 10 0 EDAERN CCCNc1cc(S(=O)(=O)NC2CCS(=O)CC2)ccn1 ZINC000159079561 528560961 /nfs/dbraw/zinc/56/09/61/528560961.db2.gz WTBZFGAHEYLFTA-UHFFFAOYSA-N 0 0 331.463 1.093 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000159010058 528615665 /nfs/dbraw/zinc/61/56/65/528615665.db2.gz GVLNYLNDTSTFMY-BBRMVZONSA-N 0 0 330.388 1.613 10 0 EDAERN CC(C)n1nnnc1CSCCN1C(=O)c2ccccc2C1=O ZINC000176893331 528701845 /nfs/dbraw/zinc/70/18/45/528701845.db2.gz BIODSWJUVFQODU-UHFFFAOYSA-N 0 0 331.401 1.783 10 0 EDAERN CC(C)N(CCS(C)(=O)=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000131721467 528912079 /nfs/dbraw/zinc/91/20/79/528912079.db2.gz AFXVWHQPTDVMQG-CYBMUJFWSA-N 0 0 326.418 1.585 10 0 EDAERN CC(C)[C@H](NC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)C(N)=O ZINC000182989076 529100411 /nfs/dbraw/zinc/10/04/11/529100411.db2.gz UISFWQZWKKKXKA-DOMZBBRYSA-N 0 0 334.420 1.543 10 0 EDAERN CC[C@H]1C(=O)NC(C)(C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168886229 529193572 /nfs/dbraw/zinc/19/35/72/529193572.db2.gz WKMYBVPGESVZNO-NSHDSACASA-N 0 0 340.221 1.860 10 0 EDAERN CC[C@H]1NC(=O)C(C)(C)N(Cc2ccc(Br)cn2)C1=O ZINC000168891850 529330621 /nfs/dbraw/zinc/33/06/21/529330621.db2.gz NLSFAWHOLDFYDS-LLVKDONJSA-N 0 0 340.221 1.860 10 0 EDAERN CC(C)CN(C(=O)C[S@](=O)Cc1nnnn1C(C)C)C1CC1 ZINC000131383291 535008275 /nfs/dbraw/zinc/00/82/75/535008275.db2.gz MAETWZDHTIMRKN-QFIPXVFZSA-N 0 0 327.454 1.150 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)NCCC1CCCCC1 ZINC000131380664 535171460 /nfs/dbraw/zinc/17/14/60/535171460.db2.gz MZDVVUFPXUSKDP-HSZRJFAPSA-N 0 0 341.481 1.589 10 0 EDAERN CC(C)Cn1cc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000181039537 535347853 /nfs/dbraw/zinc/34/78/53/535347853.db2.gz UREMITQBXGTRPL-AWEZNQCLSA-N 0 0 330.436 1.999 10 0 EDAERN CCO[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000246918677 535530781 /nfs/dbraw/zinc/53/07/81/535530781.db2.gz OBEIUAADSYKAIN-RBSFLKMASA-N 0 0 338.473 1.971 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCCO2)C[C@H]1C ZINC000246938937 535598832 /nfs/dbraw/zinc/59/88/32/535598832.db2.gz CCRGRTDEXIJUEV-IKGGRYGDSA-N 0 0 342.480 1.530 10 0 EDAERN CCOC(=O)CC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246737482 535612034 /nfs/dbraw/zinc/61/20/34/535612034.db2.gz GZOSMRZIISRYOB-STQMWFEESA-N 0 0 340.445 1.579 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)N(C)C ZINC000072781120 535971631 /nfs/dbraw/zinc/97/16/31/535971631.db2.gz KBMXBVXTPYCVGT-BBRMVZONSA-N 0 0 333.432 1.378 10 0 EDAERN CN[C@@H](C(=O)Nc1ccc(C(=O)OC)c(Cl)c1)c1cnn(C)c1 ZINC000262175037 536337684 /nfs/dbraw/zinc/33/76/84/536337684.db2.gz KLKQAOZSXFGHOI-CYBMUJFWSA-N 0 0 336.779 1.759 10 0 EDAERN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@H]1CNC(=O)C1 ZINC000194934192 536360972 /nfs/dbraw/zinc/36/09/72/536360972.db2.gz XYNJQHKRDNHOCH-CQSZACIVSA-N 0 0 327.384 1.869 10 0 EDAERN COC[C@@H](C)S(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000246637286 536557258 /nfs/dbraw/zinc/55/72/58/536557258.db2.gz DKTZUOIYBVQPBO-GFCCVEGCSA-N 0 0 347.506 1.324 10 0 EDAERN COc1ccc([C@H](CC(=O)NC[C@@H]2CCCC[C@@H]2O)NC(C)=O)cc1 ZINC000077156219 536910340 /nfs/dbraw/zinc/91/03/40/536910340.db2.gz XNARJQBUEPYNOQ-SZMVWBNQSA-N 0 0 348.443 1.930 10 0 EDAERN CN(C(=O)c1ccnc(C2CC2)c1)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888078340 590935708 /nfs/dbraw/zinc/93/57/08/590935708.db2.gz KOFDMFZSRBUUMK-DLBZAZTESA-N 0 0 342.399 1.611 10 0 EDAERN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cn(C)c(C)cc2=O)cn1 ZINC000888094638 591024548 /nfs/dbraw/zinc/02/45/48/591024548.db2.gz GPKGMAPNMJRGNH-DOTOQJQBSA-N 0 0 344.415 1.640 10 0 EDAERN Cc1nccn1-c1cncc(N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)n1 ZINC000888095079 591025243 /nfs/dbraw/zinc/02/52/43/591025243.db2.gz HYLCLRBTQVMNLI-DCGLDWPTSA-N 0 0 342.403 1.209 10 0 EDAERN CC1(C)OC(=O)c2c1cccc2C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000888098503 591029255 /nfs/dbraw/zinc/02/92/55/591029255.db2.gz HFUAPFQBXUGXAH-CJNGLKHVSA-N 0 0 342.395 1.879 10 0 EDAERN O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)N1CCC(c2cc[nH]n2)CC1 ZINC000896490256 591477418 /nfs/dbraw/zinc/47/74/18/591477418.db2.gz UJLLWWPSUAMMOE-GOEBONIOSA-N 0 0 349.431 1.816 10 0 EDAERN O=C(CNC(=O)c1cccs1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899071989 591672368 /nfs/dbraw/zinc/67/23/68/591672368.db2.gz LGYSDEUQLBZQTH-LBPRGKRZSA-N 0 0 345.428 1.420 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C[C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000105864319 595481351 /nfs/dbraw/zinc/48/13/51/595481351.db2.gz QMWNNXSYHJDSIS-WBMJQRKESA-N 0 0 334.395 1.929 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccnc1-n1cccn1)CC2 ZINC000114864366 596155817 /nfs/dbraw/zinc/15/58/17/596155817.db2.gz GNLQRBQGRDXOTL-LBPRGKRZSA-N 0 0 337.387 1.166 10 0 EDAERN Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)C4(F)CCCC4)C3)C2)n1 ZINC000864682688 596307110 /nfs/dbraw/zinc/30/71/10/596307110.db2.gz YNOSXKJRIRIKMZ-LLVKDONJSA-N 0 0 336.367 1.187 10 0 EDAERN NC(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)C1Cc2ccccc2C1 ZINC000864917411 596416267 /nfs/dbraw/zinc/41/62/67/596416267.db2.gz RVMRZWKJAJMLPO-MRXNPFEDSA-N 0 0 338.411 1.977 10 0 EDAERN Cc1ccc(-c2nn(CN3C[C@@H](C)O[C@@H](C(N)=O)C3)c(=S)o2)cc1 ZINC000120311399 596423042 /nfs/dbraw/zinc/42/30/42/596423042.db2.gz UZPBDDLUGYXAOP-DGCLKSJQSA-N 0 0 348.428 1.713 10 0 EDAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2coc(C3CCC3)n2)cn1 ZINC000862922739 596450969 /nfs/dbraw/zinc/45/09/69/596450969.db2.gz LOSJZAZYQDUVAT-GXTWGEPZSA-N 0 0 332.360 1.252 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)OCCN2CCN(Cc3ccsc3)CC2)O1 ZINC000125406662 597424783 /nfs/dbraw/zinc/42/47/83/597424783.db2.gz OQOFHOCMVCIXCK-HOCLYGCPSA-N 0 0 338.473 1.976 10 0 EDAERN CC(C)C[C@H](C)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000126570327 597532793 /nfs/dbraw/zinc/53/27/93/597532793.db2.gz GZJWKGLKDXZMDF-RYUDHWBXSA-N 0 0 337.445 1.664 10 0 EDAERN C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccc(Cl)cc1 ZINC000126670372 597548726 /nfs/dbraw/zinc/54/87/26/597548726.db2.gz KSUZFHLATVCLAG-MFKMUULPSA-N 0 0 330.837 1.294 10 0 EDAERN CS(=O)(=O)NCCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174859784 697133114 /nfs/dbraw/zinc/13/31/14/697133114.db2.gz JDFIZGRFJITHRA-CABCVRRESA-N 0 0 340.445 1.040 10 0 EDAERN C[C@@H]1C[C@H](C(=O)OCCN(C)S(=O)(=O)N(C)C)CC(C)(C)C1 ZINC000183226732 701551991 /nfs/dbraw/zinc/55/19/91/701551991.db2.gz ZOTCWHQYWDSNJH-OLZOCXBDSA-N 0 0 334.482 1.730 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)Oc1ccc(-n2cnnn2)cc1)C(C)C ZINC000076460008 704595207 /nfs/dbraw/zinc/59/52/07/704595207.db2.gz RIEAQMZMTFPERU-MRXNPFEDSA-N 0 0 345.403 1.755 10 0 EDAERN COc1ccc(C(=O)CN2CCCS2(=O)=O)cc1Br ZINC000050130669 214046426 /nfs/dbraw/zinc/04/64/26/214046426.db2.gz LVCKQNZSQYVROM-UHFFFAOYSA-N 0 0 348.218 1.676 10 0 EDAERN CCN1CCN(C(=O)c2cc(Br)cnc2NC)CC1 ZINC000050723465 214068571 /nfs/dbraw/zinc/06/85/71/214068571.db2.gz LFZKLEQLKQSPTO-UHFFFAOYSA-N 0 0 327.226 1.664 10 0 EDAERN NC(=S)c1cccc(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000052010451 214112756 /nfs/dbraw/zinc/11/27/56/214112756.db2.gz GLRQSGDYAGSXFI-OLZOCXBDSA-N 0 0 328.459 1.044 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)NC1(CO)CCCCC1 ZINC000053095930 214163359 /nfs/dbraw/zinc/16/33/59/214163359.db2.gz OATDNTPTTUSNBF-UHFFFAOYSA-N 0 0 333.431 1.508 10 0 EDAERN CN(C)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@H]1CCCO1)CC2 ZINC000062605641 214724644 /nfs/dbraw/zinc/72/46/44/214724644.db2.gz HGALWDAGZCOJMV-OAHLLOKOSA-N 0 0 338.429 1.001 10 0 EDAERN CN(CCNc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000053385962 214180076 /nfs/dbraw/zinc/18/00/76/214180076.db2.gz GHZWHCIMVQHIAZ-CYBMUJFWSA-N 0 0 347.278 1.980 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)c2ccc3nc(N)sc3c2)C[C@@H](C)O1 ZINC000053993861 214209142 /nfs/dbraw/zinc/20/91/42/214209142.db2.gz HEXVQQSXAPNTFK-RKDXNWHRSA-N 0 0 327.431 1.676 10 0 EDAERN CC(C)NC(=O)CCN1c2cc(Br)ccc2C(=O)C1=O ZINC000054048632 214212865 /nfs/dbraw/zinc/21/28/65/214212865.db2.gz KWNORJKSAFWGQO-UHFFFAOYSA-N 0 0 339.189 1.893 10 0 EDAERN COc1cc2c(cc1OC)[C@@H](CC(=O)N1CCN(C(C)=O)CC1)CC2 ZINC000062620183 214725626 /nfs/dbraw/zinc/72/56/26/214725626.db2.gz OKVSURJOJLZIGU-OAHLLOKOSA-N 0 0 346.427 1.814 10 0 EDAERN C[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000062824476 214732255 /nfs/dbraw/zinc/73/22/55/214732255.db2.gz RJVSTRUWUAPEKX-ZCFIWIBFSA-N 0 0 348.140 1.536 10 0 EDAERN COC(=O)CCN(CC(F)(F)F)C(=O)c1sc(N)nc1C ZINC000055173881 214283795 /nfs/dbraw/zinc/28/37/95/214283795.db2.gz PLFHNNRTNSZWOW-UHFFFAOYSA-N 0 0 325.312 1.601 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC)c1 ZINC000246711980 290633117 /nfs/dbraw/zinc/63/31/17/290633117.db2.gz DZDCBNXFBTXTAK-WQVCFCJDSA-N 0 0 344.411 1.993 10 0 EDAERN COc1cc(Br)c([C@H](O)[C@H]2COCCO2)cc1OC ZINC000055303331 214303552 /nfs/dbraw/zinc/30/35/52/214303552.db2.gz KTQVJIZRQULHLB-OLZOCXBDSA-N 0 0 333.178 1.915 10 0 EDAERN C[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@H]1N1CCOCC1 ZINC000173816728 231042178 /nfs/dbraw/zinc/04/21/78/231042178.db2.gz HLPWTXWZVGUOPG-RDTXWAMCSA-N 0 0 327.428 1.971 10 0 EDAERN COc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000173858880 231053977 /nfs/dbraw/zinc/05/39/77/231053977.db2.gz VHQDNIIUMOFLGT-DZGCQCFKSA-N 0 0 334.416 1.497 10 0 EDAERN CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)NC(N)=O ZINC000056078333 214356530 /nfs/dbraw/zinc/35/65/30/214356530.db2.gz FBLKJWCTAUHZDJ-MRVPVSSYSA-N 0 0 326.784 1.474 10 0 EDAERN CCS(=O)(=O)N1CCN(Cc2nc3cc(OC)ccc3[nH]2)CC1 ZINC000056905885 214394476 /nfs/dbraw/zinc/39/44/76/214394476.db2.gz RWWBCKMYCSIJIV-UHFFFAOYSA-N 0 0 338.433 1.039 10 0 EDAERN CCCN1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000056938716 214396249 /nfs/dbraw/zinc/39/62/49/214396249.db2.gz RONQRBRDTQZFPD-HNNXBMFYSA-N 0 0 340.493 1.392 10 0 EDAERN CCOc1ccc([C@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 ZINC000004632251 210235587 /nfs/dbraw/zinc/23/55/87/210235587.db2.gz JFJIGPZKTYYUGM-DHSIGJKJSA-N 0 0 346.383 1.742 10 0 EDAERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(C)(=O)=O)cc1Cl ZINC000049676806 214026771 /nfs/dbraw/zinc/02/67/71/214026771.db2.gz QBLYOYZZADPZNW-NSHDSACASA-N 0 0 330.793 1.538 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@H](NC(C)=O)C2)cc1F ZINC000163755807 529667745 /nfs/dbraw/zinc/66/77/45/529667745.db2.gz AKOJTBGCTSQDIB-AWEZNQCLSA-N 0 0 335.379 1.454 10 0 EDAERN Cc1c(C(=O)NC2CCCCC2)cnn1[C@@H]1CCS(=O)(=O)C1 ZINC000049657996 214025200 /nfs/dbraw/zinc/02/52/00/214025200.db2.gz MSKGNHAUBPOCQG-CYBMUJFWSA-N 0 0 325.434 1.614 10 0 EDAERN O=C(Nc1cc(-n2cnnn2)ccc1F)N[C@@H]1CCCn2ncnc21 ZINC000175982480 231549840 /nfs/dbraw/zinc/54/98/40/231549840.db2.gz MNKXHSRBPUVADG-LLVKDONJSA-N 0 0 343.326 1.050 10 0 EDAERN C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccs1 ZINC000176406250 231640503 /nfs/dbraw/zinc/64/05/03/231640503.db2.gz FMDRXASVAKMENA-LLVKDONJSA-N 0 0 333.417 1.601 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCO2)[nH]1 ZINC000173756784 529701826 /nfs/dbraw/zinc/70/18/26/529701826.db2.gz ZULPHWNZSNIKMY-CQSZACIVSA-N 0 0 329.404 1.647 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)Nc1ccccc1 ZINC000132880418 529749796 /nfs/dbraw/zinc/74/97/96/529749796.db2.gz YSSIVLGSCGQCRB-ZDUSSCGKSA-N 0 0 342.403 1.613 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1-n1cnnn1 ZINC000151154987 529750034 /nfs/dbraw/zinc/75/00/34/529750034.db2.gz BWGNNRIPNDVSBR-LBPRGKRZSA-N 0 0 338.375 1.081 10 0 EDAERN COCCNC(=O)NCCc1cc2c(C)ccc(OC)c2[nH]c1=O ZINC000062093279 214697545 /nfs/dbraw/zinc/69/75/45/214697545.db2.gz SVXTWUKWRCRUTL-UHFFFAOYSA-N 0 0 333.388 1.333 10 0 EDAERN CCc1nn(C)c(Cl)c1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000154576736 529767103 /nfs/dbraw/zinc/76/71/03/529767103.db2.gz XZKVWYSFPMDILS-WCQYABFASA-N 0 0 340.855 1.429 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CCOCCOC)C1 ZINC000154069043 529760985 /nfs/dbraw/zinc/76/09/85/529760985.db2.gz DNDKUCVUCAYNJE-CQSZACIVSA-N 0 0 345.465 1.075 10 0 EDAERN CN(C)c1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000152795162 529792635 /nfs/dbraw/zinc/79/26/35/529792635.db2.gz UESJGGVTZOLKIH-CYBMUJFWSA-N 0 0 330.392 1.277 10 0 EDAERN COCc1cc(=O)[nH]c2cc(NC(=O)c3cn(C)nc3OC)ccc12 ZINC000049472939 214009892 /nfs/dbraw/zinc/00/98/92/214009892.db2.gz IRDIWFJBIVHBDU-UHFFFAOYSA-N 0 0 342.355 1.669 10 0 EDAERN CNC(=O)CCN(C)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000171904625 529855680 /nfs/dbraw/zinc/85/56/80/529855680.db2.gz RRDXKUFVNSNQHR-UHFFFAOYSA-N 0 0 347.394 1.597 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000166769679 529901631 /nfs/dbraw/zinc/90/16/31/529901631.db2.gz JEZKFODOACFRSJ-NSHDSACASA-N 0 0 344.198 1.669 10 0 EDAERN CN(CCCNc1cc(N2CCC[C@@H]2CO)ncn1)CC(F)(F)F ZINC000180978823 529891782 /nfs/dbraw/zinc/89/17/82/529891782.db2.gz FREFQVYOTYWLAE-GFCCVEGCSA-N 0 0 347.385 1.734 10 0 EDAERN Cc1nc(CN(C)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)cs1 ZINC000065301150 214867727 /nfs/dbraw/zinc/86/77/27/214867727.db2.gz JXQHUPRVDMQPNK-LBPRGKRZSA-N 0 0 338.477 1.401 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101569788 219139316 /nfs/dbraw/zinc/13/93/16/219139316.db2.gz YTUQOTUBFPEMCB-LLVKDONJSA-N 0 0 331.825 1.117 10 0 EDAERN CNCc1ncn(Cc2ccc(I)cc2)n1 ZINC000167479336 530011242 /nfs/dbraw/zinc/01/12/42/530011242.db2.gz NGWNNFKSWFKHRX-UHFFFAOYSA-N 0 0 328.157 1.650 10 0 EDAERN C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C[C@H](O)COC(C)(C)C ZINC000131549942 530023830 /nfs/dbraw/zinc/02/38/30/530023830.db2.gz JGXASIMNUXDUCC-JTQLQIEISA-N 0 0 325.434 1.592 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000178077366 232075108 /nfs/dbraw/zinc/07/51/08/232075108.db2.gz SOJHPWHISMKIEM-SNVBAGLBSA-N 0 0 348.380 1.366 10 0 EDAERN CCn1c(C)nnc1CSc1nnc(-c2cccc(OC)c2)n1N ZINC000178318833 232135306 /nfs/dbraw/zinc/13/53/06/232135306.db2.gz FIJSYEHBHOYDPO-UHFFFAOYSA-N 0 0 345.432 1.880 10 0 EDAERN CCn1c(C)nnc1CN1C(=O)N[C@](C)(c2cc(F)cc(F)c2)C1=O ZINC000178338405 232140733 /nfs/dbraw/zinc/14/07/33/232140733.db2.gz YWGPBLHUDXLBIC-MRXNPFEDSA-N 0 0 349.341 1.852 10 0 EDAERN CC(C)CC(=O)Nc1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1 ZINC000066152902 215016788 /nfs/dbraw/zinc/01/67/88/215016788.db2.gz YLZBVHYZYHLKSI-AWEZNQCLSA-N 0 0 332.404 1.088 10 0 EDAERN CCOC(=O)CN(C1CC1)S(=O)(=O)c1c(N)cccc1Cl ZINC000045166492 213710273 /nfs/dbraw/zinc/71/02/73/213710273.db2.gz LOBGZLDUPNJCLQ-UHFFFAOYSA-N 0 0 332.809 1.638 10 0 EDAERN C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1c(N)cccc1Cl ZINC000045166322 213710420 /nfs/dbraw/zinc/71/04/20/213710420.db2.gz XCQIXXRGGQTGFK-VIFPVBQESA-N 0 0 331.825 1.211 10 0 EDAERN COC[C@H](C)C(=O)N[C@H](c1nccn1C)c1cc(OC)cc(OC)c1 ZINC000103362492 219293647 /nfs/dbraw/zinc/29/36/47/219293647.db2.gz QDIPYQQPOHPQDK-LRDDRELGSA-N 0 0 347.415 1.925 10 0 EDAERN CC(=O)NCCCCNS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000041348096 213440455 /nfs/dbraw/zinc/44/04/55/213440455.db2.gz YXDNUJBJUCFXKN-UHFFFAOYSA-N 0 0 328.434 1.668 10 0 EDAERN COCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000041210339 213431204 /nfs/dbraw/zinc/43/12/04/213431204.db2.gz YXOQLFQKUZOZCM-GFCCVEGCSA-N 0 0 344.408 1.452 10 0 EDAERN COc1ccc(S(=O)(=O)NCc2nnc(-c3ccncc3)o2)cc1 ZINC000041135013 213422740 /nfs/dbraw/zinc/42/27/40/213422740.db2.gz PKSGRHOYUVNXTG-UHFFFAOYSA-N 0 0 346.368 1.619 10 0 EDAERN COCCNc1ncnc(N(C)c2ccccc2C(=O)OC)c1N ZINC000040783989 213386817 /nfs/dbraw/zinc/38/68/17/213386817.db2.gz FVAYGEQAVSIQEZ-UHFFFAOYSA-N 0 0 331.376 1.672 10 0 EDAERN NC(=O)[C@]1(Nc2cccc(Br)c2)CCCS(=O)(=O)C1 ZINC000069139017 215363360 /nfs/dbraw/zinc/36/33/60/215363360.db2.gz ZXQTVBLRRQYDEG-LBPRGKRZSA-N 0 0 347.234 1.294 10 0 EDAERN CNS(=O)(=O)CCNC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000040677778 213368137 /nfs/dbraw/zinc/36/81/37/213368137.db2.gz FBXJBGGPRUXBES-UHFFFAOYSA-N 0 0 348.424 1.398 10 0 EDAERN O=C(Nc1ccc(Cl)cc1)N1CCO[C@H]2CS(=O)(=O)C[C@H]21 ZINC000040624747 213361876 /nfs/dbraw/zinc/36/18/76/213361876.db2.gz BKEVRAATUSIFEO-NEPJUHHUSA-N 0 0 330.793 1.370 10 0 EDAERN O=C(Nc1ccc(Cl)cc1)N1CCO[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000040624750 213361641 /nfs/dbraw/zinc/36/16/41/213361641.db2.gz BKEVRAATUSIFEO-VXGBXAGGSA-N 0 0 330.793 1.370 10 0 EDAERN CCNS(=O)(=O)c1ccc(-n2cc(Br)c(N)n2)cc1 ZINC000040517068 213331532 /nfs/dbraw/zinc/33/15/32/213331532.db2.gz ZJCSNWVCLVQUKY-UHFFFAOYSA-N 0 0 345.222 1.515 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCOc1ccc(F)cc1F ZINC000158227080 539992032 /nfs/dbraw/zinc/99/20/32/539992032.db2.gz CZPITOWDOYFPKT-LBPRGKRZSA-N 0 0 327.331 1.264 10 0 EDAERN CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1 ZINC000040413613 213300827 /nfs/dbraw/zinc/30/08/27/213300827.db2.gz RIAFUYYPKQOIPG-UHFFFAOYSA-N 0 0 335.223 1.334 10 0 EDAERN CCCc1cc2c(s1)=N[C@@H](C)N(C)C=2SCC(=O)NC1CC1 ZINC000038805648 213227127 /nfs/dbraw/zinc/22/71/27/213227127.db2.gz MSJKHIYFCIRXCD-SNVBAGLBSA-N 0 0 337.514 1.689 10 0 EDAERN CC(C)C[C@@H](C)N(C)C(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000131356417 535269791 /nfs/dbraw/zinc/26/97/91/535269791.db2.gz ROFHNBKKOYBXLS-IPQOISQHSA-N 0 0 329.470 1.396 10 0 EDAERN COc1nn(C)cc1C(=O)Nc1ccc2c(c1)CN(C(C)=O)CC2 ZINC000038709765 213221937 /nfs/dbraw/zinc/22/19/37/213221937.db2.gz BSQXVSCEUYADQV-UHFFFAOYSA-N 0 0 328.372 1.586 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)/C=C/c3ccc(O)cc3)CC2)cn1 ZINC000183577295 235146651 /nfs/dbraw/zinc/14/66/51/235146651.db2.gz BAMFMOSPQHJAFU-VMPITWQZSA-N 0 0 340.427 1.873 10 0 EDAERN COc1cccc2c1OC[C@H](NC(=O)N[C@@H]1CCCn3ncnc31)C2 ZINC000176490527 540101049 /nfs/dbraw/zinc/10/10/49/540101049.db2.gz WRSRCKKOPRKWDB-CHWSQXEVSA-N 0 0 343.387 1.425 10 0 EDAERN CCOc1ccc([C@H]2CCCN2C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000188484038 540159302 /nfs/dbraw/zinc/15/93/02/540159302.db2.gz TVUXWBZFYHVFFM-KBAYOESNSA-N 0 0 346.427 1.731 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(OC)c(O)c1 ZINC000087249879 138271626 /nfs/dbraw/zinc/27/16/26/138271626.db2.gz LFZLJEVSIKUZAN-LBPRGKRZSA-N 0 0 345.403 1.889 10 0 EDAERN Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)cc1-n1cnnn1 ZINC000081606167 138267211 /nfs/dbraw/zinc/26/72/11/138267211.db2.gz UTIQBNTUHPYHFJ-OCCSQVGLSA-N 0 0 330.392 1.643 10 0 EDAERN Cc1nn(-c2ccccc2)c(Cl)c1CN1CCOC[C@@H]1C(N)=O ZINC000092231345 138287007 /nfs/dbraw/zinc/28/70/07/138287007.db2.gz OLCYMGJUPPJZPL-CQSZACIVSA-N 0 0 334.807 1.520 10 0 EDAERN COc1ccc(CN(C(=O)NC[C@@H]2CN(C)CCO2)C2CC2)cc1 ZINC000105283022 138301230 /nfs/dbraw/zinc/30/12/30/138301230.db2.gz ZBAVUZUWCVOZRL-QGZVFWFLSA-N 0 0 333.432 1.700 10 0 EDAERN CN(Cc1ccccc1Br)C(=O)CSC[C@@H](O)CO ZINC000093958601 138295147 /nfs/dbraw/zinc/29/51/47/138295147.db2.gz SWUPVOSYPSDWDB-NSHDSACASA-N 0 0 348.262 1.494 10 0 EDAERN Cc1cnn(CCNC(=O)NCc2ccc(-n3ccnc3C)nc2)c1 ZINC000118063770 138312556 /nfs/dbraw/zinc/31/25/56/138312556.db2.gz OSZYQICHEJFZLT-UHFFFAOYSA-N 0 0 339.403 1.580 10 0 EDAERN C[C@@H](NC(=O)NC[C@H]1CSCCS1)c1nnc2n1CCCC2 ZINC000120668047 138316235 /nfs/dbraw/zinc/31/62/35/138316235.db2.gz QYMVUPKPRAWZJW-MNOVXSKESA-N 0 0 341.506 1.823 10 0 EDAERN CCNC(=O)NC(=O)CNc1c(C)nn(C)c1Oc1cccc(F)c1 ZINC000069776161 215575479 /nfs/dbraw/zinc/57/54/79/215575479.db2.gz MTFNNZDJOIAKLP-UHFFFAOYSA-N 0 0 349.366 1.918 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)Cc3c(C)noc3C)CC2)no1 ZINC000109923139 138306731 /nfs/dbraw/zinc/30/67/31/138306731.db2.gz GXNAHCPQBUHOKL-UHFFFAOYSA-N 0 0 333.392 1.260 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1CC)CC2 ZINC000114863514 138310654 /nfs/dbraw/zinc/31/06/54/138310654.db2.gz NGDKCAYYUYIKPQ-AWEZNQCLSA-N 0 0 328.416 1.913 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CN(C)C(=O)c1cccs1)CC2 ZINC000114868403 138310723 /nfs/dbraw/zinc/31/07/23/138310723.db2.gz FJXIYZOLOSYYLU-LLVKDONJSA-N 0 0 347.444 1.105 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOc1ccc(F)cc1)CC2 ZINC000114869939 138310815 /nfs/dbraw/zinc/31/08/15/138310815.db2.gz LSNXBTRVEUTIJY-CYBMUJFWSA-N 0 0 332.379 1.880 10 0 EDAERN CCNC(=O)CCCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116775428 138312076 /nfs/dbraw/zinc/31/20/76/138312076.db2.gz RNICQWKKRFFOTJ-OAHLLOKOSA-N 0 0 335.452 1.440 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000127550155 138338710 /nfs/dbraw/zinc/33/87/10/138338710.db2.gz XGYIXHZHBFGPOL-SJORKVTESA-N 0 0 343.427 1.162 10 0 EDAERN O=C(c1cccc(-n2cncn2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000131191081 138353909 /nfs/dbraw/zinc/35/39/09/138353909.db2.gz NZHWDERVYVPIQD-KRWDZBQOSA-N 0 0 335.367 1.956 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1nnc2n1CCCC2 ZINC000131730213 138365271 /nfs/dbraw/zinc/36/52/71/138365271.db2.gz TVUJWPKSEXNBEQ-DOMZBBRYSA-N 0 0 339.399 1.985 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CSCCS1 ZINC000132562151 138378851 /nfs/dbraw/zinc/37/88/51/138378851.db2.gz HERZNBSXQXMGLU-GHMZBOCLSA-N 0 0 341.506 1.823 10 0 EDAERN CSc1ccc2nc(NC(=O)CN(C)S(C)(=O)=O)sc2c1 ZINC000036704859 213111588 /nfs/dbraw/zinc/11/15/88/213111588.db2.gz MXDYOEGSBJMBJZ-UHFFFAOYSA-N 0 0 345.471 1.848 10 0 EDAERN C[C@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1nnc2n1CCCC2 ZINC000153161874 138490959 /nfs/dbraw/zinc/49/09/59/138490959.db2.gz NDBOFIDZMHTWGA-MEDUHNTESA-N 0 0 349.460 1.944 10 0 EDAERN C[C@@H](O)c1csc(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000070211108 215681421 /nfs/dbraw/zinc/68/14/21/215681421.db2.gz ZRYZWBFKYQBAES-MRVPVSSYSA-N 0 0 326.399 1.852 10 0 EDAERN CN(C1CCOCC1)S(=O)(=O)c1cccc(F)c1C(N)=S ZINC000070395217 215688775 /nfs/dbraw/zinc/68/87/75/215688775.db2.gz AOVAEGQRSDKIQS-UHFFFAOYSA-N 0 0 332.422 1.259 10 0 EDAERN CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1 ZINC000036109304 213070625 /nfs/dbraw/zinc/07/06/25/213070625.db2.gz AFLQISGVKIUAAH-INIZCTEOSA-N 0 0 329.400 1.464 10 0 EDAERN NC(=S)c1ccnc(-n2cc(I)cn2)c1 ZINC000070677638 215704169 /nfs/dbraw/zinc/70/41/69/215704169.db2.gz HXLCEKVFBJPOHK-UHFFFAOYSA-N 0 0 330.154 1.506 10 0 EDAERN Cc1c(CCC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cnn1C ZINC000187639491 236267285 /nfs/dbraw/zinc/26/72/85/236267285.db2.gz YDMYKANELGOYHO-HOTGVXAUSA-N 0 0 333.457 1.957 10 0 EDAERN O=C(Nc1ccccn1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 ZINC000070885706 215720241 /nfs/dbraw/zinc/72/02/41/215720241.db2.gz YYYMFSDEGDGNBJ-AWEZNQCLSA-N 0 0 349.398 1.912 10 0 EDAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187925442 236343582 /nfs/dbraw/zinc/34/35/82/236343582.db2.gz IAJLPGWQMIZHAX-UHFFFAOYSA-N 0 0 328.821 1.548 10 0 EDAERN C[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000035387722 213024765 /nfs/dbraw/zinc/02/47/65/213024765.db2.gz OUHAUPLPSKCGQI-RKDXNWHRSA-N 0 0 329.194 1.689 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCCc2cccc(Cl)c2)C1 ZINC000188208317 236472015 /nfs/dbraw/zinc/47/20/15/236472015.db2.gz RGBGNOHJIKGPNT-UHFFFAOYSA-N 0 0 325.796 1.039 10 0 EDAERN C[C@H]1CN(C(=O)CNC(=O)c2ccccc2OC(F)F)CCS1 ZINC000170901639 138654777 /nfs/dbraw/zinc/65/47/77/138654777.db2.gz DJWAMADTKQIVTK-JTQLQIEISA-N 0 0 344.383 1.982 10 0 EDAERN O=C(COc1ccc(F)cc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748476 138666810 /nfs/dbraw/zinc/66/68/10/138666810.db2.gz NVBGIBXAUFJNDY-CYBMUJFWSA-N 0 0 342.798 1.791 10 0 EDAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000034959284 213002586 /nfs/dbraw/zinc/00/25/86/213002586.db2.gz BLBCLQBATORCJQ-POYBYMJQSA-N 0 0 333.207 1.691 10 0 EDAERN CCOC(=O)CCN(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000071635818 215791089 /nfs/dbraw/zinc/79/10/89/215791089.db2.gz LFVGCAHNMCGDHV-NSHDSACASA-N 0 0 332.356 1.083 10 0 EDAERN COc1ccc(C(=O)[O-])c(NC(=O)Cc2csc(CCC[NH3+])n2)c1 ZINC000071696889 215796758 /nfs/dbraw/zinc/79/67/58/215796758.db2.gz YJLLQTLCZYDNSO-UHFFFAOYSA-N 0 0 349.412 1.922 10 0 EDAERN COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2cccc(N)c2)cc1 ZINC000071709993 215797814 /nfs/dbraw/zinc/79/78/14/215797814.db2.gz VMJMJOAYWXDCAX-NSHDSACASA-N 0 0 334.397 1.776 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccnn3C(C)C)C2)c1 ZINC000177673305 138732504 /nfs/dbraw/zinc/73/25/04/138732504.db2.gz BNJIPUFFRYOYHJ-CQSZACIVSA-N 0 0 344.419 1.771 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCCc3cccc(F)c3)CCO2)[nH]1 ZINC000175522164 237308516 /nfs/dbraw/zinc/30/85/16/237308516.db2.gz MIMFYFGCJMLBGI-HNNXBMFYSA-N 0 0 347.394 1.968 10 0 EDAERN Cc1ccccc1NC(=O)[C@@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000176572028 237343055 /nfs/dbraw/zinc/34/30/55/237343055.db2.gz YLCCKSDALNKLKM-SPSFWMDKSA-N 0 0 335.433 1.838 10 0 EDAERN Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000129359795 223048257 /nfs/dbraw/zinc/04/82/57/223048257.db2.gz LFYLNTYRSMUIDG-AWEZNQCLSA-N 0 0 328.420 1.486 10 0 EDAERN O=S1(=O)C[C@H](O)[C@@H](Oc2ccc(Br)cc2Cl)C1 ZINC000037695026 213162961 /nfs/dbraw/zinc/16/29/61/213162961.db2.gz CFCISKJSJOYESR-WPRPVWTQSA-N 0 0 341.610 1.639 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000131029772 223197428 /nfs/dbraw/zinc/19/74/28/223197428.db2.gz SRTUDDTXOPRTJB-GHMZBOCLSA-N 0 0 344.408 1.325 10 0 EDAERN C[C@H](CC(=O)N1CC(NC(=O)C2CCC2)C1)NC(=O)C1CCCC1 ZINC000188482056 138842697 /nfs/dbraw/zinc/84/26/97/138842697.db2.gz KGBDBLKJDZAFNM-GFCCVEGCSA-N 0 0 335.448 1.199 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000188498154 138843127 /nfs/dbraw/zinc/84/31/27/138843127.db2.gz LYGWNEDTCHDCIZ-IAGOWNOFSA-N 0 0 330.428 1.596 10 0 EDAERN Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000132290703 223316709 /nfs/dbraw/zinc/31/67/09/223316709.db2.gz AFVCFPKCPMDWEA-LBPRGKRZSA-N 0 0 336.417 1.472 10 0 EDAERN COc1cccc(C(=O)N2CCCNC(=O)[C@H]2C)c1OC(F)F ZINC000189241895 138864976 /nfs/dbraw/zinc/86/49/76/138864976.db2.gz DHYQBSPIXDCWJO-SECBINFHSA-N 0 0 328.315 1.647 10 0 EDAERN O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CNC(=O)C1 ZINC000109219365 219955002 /nfs/dbraw/zinc/95/50/02/219955002.db2.gz LGUJHPWDESYYTQ-JTQLQIEISA-N 0 0 334.763 1.185 10 0 EDAERN O=C(Cc1coc(-c2cccs2)n1)N1CC(NC(=O)C2CC2)C1 ZINC000189445110 138873483 /nfs/dbraw/zinc/87/34/83/138873483.db2.gz MJKHTHVHTIXGQJ-UHFFFAOYSA-N 0 0 331.397 1.683 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccccc3O)C2=O)n(C)n1 ZINC000075412568 216617143 /nfs/dbraw/zinc/61/71/43/216617143.db2.gz CZUZRWFHCMRGDH-AWEZNQCLSA-N 0 0 342.399 1.288 10 0 EDAERN NNc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1N ZINC000021035577 212202183 /nfs/dbraw/zinc/20/21/83/212202183.db2.gz KFJCCFJUKDFNSU-UHFFFAOYSA-N 0 0 347.326 1.027 10 0 EDAERN CCn1cc([C@H]2CN(CC(=O)NC3CCC(C)CC3)CCO2)cn1 ZINC000190778052 138897095 /nfs/dbraw/zinc/89/70/95/138897095.db2.gz JFTQFTIOQAMUGF-BDVYOWHSSA-N 0 0 334.464 1.971 10 0 EDAERN CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000020342457 212121262 /nfs/dbraw/zinc/12/12/62/212121262.db2.gz QYRCGVVVNWWZJB-UHFFFAOYSA-N 0 0 337.445 1.511 10 0 EDAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000077244525 216858515 /nfs/dbraw/zinc/85/85/15/216858515.db2.gz SWIZOUCTWIASRF-GMTAPVOTSA-N 0 0 338.383 1.435 10 0 EDAERN O=C1c2ccc(Br)cc2N(CCN2CCOCC2)C1=O ZINC000019967188 212091558 /nfs/dbraw/zinc/09/15/58/212091558.db2.gz VECFEGGXEFNVQX-UHFFFAOYSA-N 0 0 339.189 1.311 10 0 EDAERN CCCNC(=O)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000019966837 212091329 /nfs/dbraw/zinc/09/13/29/212091329.db2.gz VPNYQDPOTXKJEB-UHFFFAOYSA-N 0 0 325.162 1.505 10 0 EDAERN O=C(c1cnn2ccncc12)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000193168554 138962772 /nfs/dbraw/zinc/96/27/72/138962772.db2.gz GQJVLGDJOJOXFD-CHWSQXEVSA-N 0 0 332.429 1.856 10 0 EDAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000193321396 138966611 /nfs/dbraw/zinc/96/66/11/138966611.db2.gz DNGBAIKBFZQTBI-UHFFFAOYSA-N 0 0 333.779 1.803 10 0 EDAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1COc2ccccc21 ZINC000194876549 139001715 /nfs/dbraw/zinc/00/17/15/139001715.db2.gz YRLGRPOFOVGCQI-NSHDSACASA-N 0 0 325.324 1.698 10 0 EDAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N[C@H]1COc2ccccc21 ZINC000195018064 139004863 /nfs/dbraw/zinc/00/48/63/139004863.db2.gz ASBHSQCNJMJYOU-CABZTGNLSA-N 0 0 331.401 1.739 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cccc3c1OCCO3)CC2 ZINC000195282678 139012274 /nfs/dbraw/zinc/01/22/74/139012274.db2.gz QWWOOGXKWLYYCC-LBPRGKRZSA-N 0 0 342.399 1.918 10 0 EDAERN O=C(c1ccc2c(c1)[n-]c(=S)[nH]c2=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195330926 139014800 /nfs/dbraw/zinc/01/48/00/139014800.db2.gz JSXGEYWIJLVHOU-LLVKDONJSA-N 0 0 330.413 1.132 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)Cc1noc(-c2ccccc2)n1 ZINC000195426538 139016279 /nfs/dbraw/zinc/01/62/79/139016279.db2.gz RUZXUMXLVOBKHF-UHFFFAOYSA-N 0 0 348.388 1.419 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000195429350 139016403 /nfs/dbraw/zinc/01/64/03/139016403.db2.gz ZHVRXLZQBIATLW-LLVKDONJSA-N 0 0 337.405 1.196 10 0 EDAERN COC(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000049351886 214002445 /nfs/dbraw/zinc/00/24/45/214002445.db2.gz FJZMPYLYKCRTKW-YFKPBYRVSA-N 0 0 327.189 1.415 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1c2ccccc2C[C@H]1C ZINC000195519783 139019544 /nfs/dbraw/zinc/01/95/44/139019544.db2.gz UNDPDWHCWZKKGO-CYBMUJFWSA-N 0 0 347.440 1.796 10 0 EDAERN Cc1nnc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)o1 ZINC000049705250 214027422 /nfs/dbraw/zinc/02/74/22/214027422.db2.gz ULWVICCDBNWPAD-UHFFFAOYSA-N 0 0 328.372 1.593 10 0 EDAERN Cc1cc(O)c(C(c2ccco2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1 ZINC000016266847 211892889 /nfs/dbraw/zinc/89/28/89/211892889.db2.gz KSSQCQWBVQAZME-UHFFFAOYSA-N 0 0 328.324 1.864 10 0 EDAERN COCc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000079372681 217216214 /nfs/dbraw/zinc/21/62/14/217216214.db2.gz DCVIQLRDWIFJLN-JTQLQIEISA-N 0 0 338.385 1.716 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)nnn2C ZINC000245837273 291547332 /nfs/dbraw/zinc/54/73/32/291547332.db2.gz WREXDEQHOJMDLX-PJODQICGSA-N 0 0 342.399 1.915 10 0 EDAERN CCc1nnsc1C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000110903520 220077381 /nfs/dbraw/zinc/07/73/81/220077381.db2.gz LVCSWUILUVEJDL-LBPRGKRZSA-N 0 0 335.433 1.455 10 0 EDAERN CC(=O)Nc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)ccc1F ZINC000111077113 220096405 /nfs/dbraw/zinc/09/64/05/220096405.db2.gz TTZAEQVMWUBWKD-CQSZACIVSA-N 0 0 346.362 1.522 10 0 EDAERN COCc1cccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111722331 220185566 /nfs/dbraw/zinc/18/55/66/220185566.db2.gz UJJSOVYDGWDZQO-INIZCTEOSA-N 0 0 330.388 1.962 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)CCOC(C)C)o1 ZINC000081405306 217391667 /nfs/dbraw/zinc/39/16/67/217391667.db2.gz BDYIDRZDLVGXGJ-GFCCVEGCSA-N 0 0 332.422 1.110 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCc3nccs3)CCO2)n1 ZINC000111846383 220206217 /nfs/dbraw/zinc/20/62/17/220206217.db2.gz UPNILNPALOUNCT-AWEZNQCLSA-N 0 0 349.460 1.610 10 0 EDAERN COc1cc(OC)cc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000112062383 220235893 /nfs/dbraw/zinc/23/58/93/220235893.db2.gz DWQGCILBOYAYRG-KRWDZBQOSA-N 0 0 345.399 1.750 10 0 EDAERN COc1ccc(CNC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000112103998 220242459 /nfs/dbraw/zinc/24/24/59/220242459.db2.gz SFMKDBMCJVBJSM-KRWDZBQOSA-N 0 0 344.415 1.811 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1CCCC[C@H]1O)C(C)C ZINC000245648203 139081959 /nfs/dbraw/zinc/08/19/59/139081959.db2.gz JGWXSKQBDLBFDQ-UXLLHSPISA-N 0 0 348.443 1.869 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(N(C)C)ccn3)CCO2)c1 ZINC000112117838 220245816 /nfs/dbraw/zinc/24/58/16/220245816.db2.gz GEHGPRRTJGAWBE-HNNXBMFYSA-N 0 0 329.404 1.194 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CCCOC2)ncn1 ZINC000245676583 139082681 /nfs/dbraw/zinc/08/26/81/139082681.db2.gz FWXPWGWBEBWBDI-ZIAGYGMSSA-N 0 0 348.451 1.213 10 0 EDAERN O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000245931267 139090403 /nfs/dbraw/zinc/09/04/03/139090403.db2.gz JFBUPZNAMLXPGN-HUUCEWRRSA-N 0 0 343.427 1.991 10 0 EDAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000246058179 139093445 /nfs/dbraw/zinc/09/34/45/139093445.db2.gz VSLDFJMDWRQRCK-RWMBFGLXSA-N 0 0 337.370 1.988 10 0 EDAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246261073 139101433 /nfs/dbraw/zinc/10/14/33/139101433.db2.gz YOJMPHHTDKGUHU-ADEWGFFLSA-N 0 0 329.368 1.714 10 0 EDAERN Cc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3CO)C2=O)cc1 ZINC000246273266 139101931 /nfs/dbraw/zinc/10/19/31/139101931.db2.gz VZBLOUNDDCIJEB-UAGQMJEPSA-N 0 0 345.443 1.951 10 0 EDAERN Cc1nccn1CCCN(C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000246383994 139106404 /nfs/dbraw/zinc/10/64/04/139106404.db2.gz IMRAHHUKRHKMKJ-HNNXBMFYSA-N 0 0 330.436 1.469 10 0 EDAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246547780 139112402 /nfs/dbraw/zinc/11/24/02/139112402.db2.gz CNQZPAVTUUJLAO-USWWRNFRSA-N 0 0 331.384 1.960 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000246610229 139114964 /nfs/dbraw/zinc/11/49/64/139114964.db2.gz WUUZLLWMSRIFHL-SWLSCSKDSA-N 0 0 328.409 1.167 10 0 EDAERN COc1ccc(SCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246642383 139116174 /nfs/dbraw/zinc/11/61/74/139116174.db2.gz FUJUMLMGHGVPFC-KBPBESRZSA-N 0 0 338.473 1.701 10 0 EDAERN Cc1ccccc1[C@H](CC(=O)NC[C@H]1CCCC[C@H]1O)NC(N)=O ZINC000246967573 139128766 /nfs/dbraw/zinc/12/87/66/139128766.db2.gz KWYLPGHTMICPTD-VNQPRFMTSA-N 0 0 333.432 1.762 10 0 EDAERN C[C@@H]1CN([C@H](CNC(=O)CCn2cccn2)c2cccs2)CCO1 ZINC000246969682 139129091 /nfs/dbraw/zinc/12/90/91/139129091.db2.gz PYAWUFXKXYIXRQ-HUUCEWRRSA-N 0 0 348.472 1.913 10 0 EDAERN CC[C@@H]1CN(C[C@H](O)COCc2cccs2)CC[N@@H+]1C[C@H](C)O ZINC000247106044 139135648 /nfs/dbraw/zinc/13/56/48/139135648.db2.gz IRELVPBVEHGUDW-XHSDSOJGSA-N 0 0 342.505 1.403 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2c(C)noc2C)C[C@H]1C ZINC000247215242 139140988 /nfs/dbraw/zinc/14/09/88/139140988.db2.gz UYYHTEWZZBHXMB-LLVKDONJSA-N 0 0 331.438 1.023 10 0 EDAERN CC(C)n1ccnc1CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247730194 139154466 /nfs/dbraw/zinc/15/44/66/139154466.db2.gz UJJHDLAOHAUQLY-GJZGRUSLSA-N 0 0 341.477 1.632 10 0 EDAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1cccnc1 ZINC000012449218 211386850 /nfs/dbraw/zinc/38/68/50/211386850.db2.gz TVNFROIKYFMSIX-QGZVFWFLSA-N 0 0 338.411 1.089 10 0 EDAERN Cc1ccc(-n2ncc3c2ncn(NC(=O)[C@H]2CCCO2)c3=O)cc1 ZINC000012313244 211342789 /nfs/dbraw/zinc/34/27/89/211342789.db2.gz ZHLSCENKDBPZSN-CQSZACIVSA-N 0 0 339.355 1.140 10 0 EDAERN O=C1CO[C@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)CN1 ZINC000090661376 217946853 /nfs/dbraw/zinc/94/68/53/217946853.db2.gz OYBCJBIPFIHZDN-HNNXBMFYSA-N 0 0 333.365 1.642 10 0 EDAERN CCCCn1c(=O)[nH]c2ncn(Cc3ccc(OC)cc3)c2c1=O ZINC000090442202 217929986 /nfs/dbraw/zinc/92/99/86/217929986.db2.gz RZVQZGMUNPCRQZ-UHFFFAOYSA-N 0 0 328.372 1.743 10 0 EDAERN CCc1nnc(CS(=O)(=O)c2nccn2-c2cccc(C)c2)n1C ZINC000090989131 217958634 /nfs/dbraw/zinc/95/86/34/217958634.db2.gz HIDUIQZKRYADMM-UHFFFAOYSA-N 0 0 345.428 1.846 10 0 EDAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000092228502 218126911 /nfs/dbraw/zinc/12/69/11/218126911.db2.gz VIEMGPFGEUUPAY-NSHDSACASA-N 0 0 332.187 1.118 10 0 EDAERN COc1ccc(Br)cc1CN1CCOC[C@@H]1C(N)=O ZINC000092229983 218127656 /nfs/dbraw/zinc/12/76/56/218127656.db2.gz ODVASHATYSPNPA-LLVKDONJSA-N 0 0 329.194 1.144 10 0 EDAERN Cc1cc(CN2CCOC[C@H]2C(N)=O)nc(-c2ccc(Cl)cc2)n1 ZINC000092229551 218128014 /nfs/dbraw/zinc/12/80/14/218128014.db2.gz ANJVYZTZUBMGEJ-HNNXBMFYSA-N 0 0 346.818 1.792 10 0 EDAERN Cc1nc(CN2CCOC[C@@H]2C(N)=O)oc1-c1ccc(Cl)cc1 ZINC000092421496 218139989 /nfs/dbraw/zinc/13/99/89/218139989.db2.gz GQALUZLJGNYAGN-CYBMUJFWSA-N 0 0 335.791 1.990 10 0 EDAERN CCOC(=O)c1oc2ccccc2c1CN1CCOC[C@@H]1C(N)=O ZINC000092421390 218140584 /nfs/dbraw/zinc/14/05/84/218140584.db2.gz QTXZJGMYYBWTOJ-CYBMUJFWSA-N 0 0 332.356 1.296 10 0 EDAERN COC(=O)N[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)C(C)C ZINC000092573337 218151107 /nfs/dbraw/zinc/15/11/07/218151107.db2.gz JFKNZKSZORDVMC-XJKSGUPXSA-N 0 0 347.415 1.568 10 0 EDAERN CCOC[C@@H](NC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1)C(C)C ZINC000248955979 139181391 /nfs/dbraw/zinc/18/13/91/139181391.db2.gz OPLRECRNDMFFIT-JKSUJKDBSA-N 0 0 329.485 1.800 10 0 EDAERN CCOc1cc([C@H]2NC(=O)[C@H]3COCCN32)cc(Cl)c1OC ZINC000093884533 218255506 /nfs/dbraw/zinc/25/55/06/218255506.db2.gz CKFJIEOKXRRPIG-RISCZKNCSA-N 0 0 326.780 1.577 10 0 EDAERN CCOc1cccc([C@@H]2NC(=O)[C@@H]3COCCN23)c1OC(F)F ZINC000093884808 218255550 /nfs/dbraw/zinc/25/55/50/218255550.db2.gz ZKCBCXRZULOSLX-GXFFZTMASA-N 0 0 328.315 1.516 10 0 EDAERN CS(=O)(=O)c1ccc([C@H](O)CN2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000249715300 139197408 /nfs/dbraw/zinc/19/74/08/139197408.db2.gz HZCIFNVHLZAVKT-BRWVUGGUSA-N 0 0 339.457 1.767 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)C1 ZINC000188399958 284783499 /nfs/dbraw/zinc/78/34/99/284783499.db2.gz NBXDQMMJHDUHNX-AWEZNQCLSA-N 0 0 349.431 1.758 10 0 EDAERN Cc1cc(=O)n2nc(CN3CCCc4c(N)cccc43)sc2n1 ZINC000261631617 139212852 /nfs/dbraw/zinc/21/28/52/139212852.db2.gz CAVFNAVBXPAARE-UHFFFAOYSA-N 0 0 327.413 1.994 10 0 EDAERN CCc1cnc(N2CC[C@@H]3[C@@H](CO[C@@H]3CNc3ncccn3)C2)nc1 ZINC000096187341 218653931 /nfs/dbraw/zinc/65/39/31/218653931.db2.gz DUHNXAXLLMKMTQ-BZUAXINKSA-N 0 0 340.431 1.782 10 0 EDAERN O=C(c1cocn1)N1CCOC[C@H]1c1nccc(N2CCCC2)n1 ZINC000096216723 218690354 /nfs/dbraw/zinc/69/03/54/218690354.db2.gz VMDIRRDDYOVIIH-ZDUSSCGKSA-N 0 0 329.360 1.279 10 0 EDAERN O=C(c1cocn1)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1 ZINC000096216725 218690556 /nfs/dbraw/zinc/69/05/56/218690556.db2.gz VMDIRRDDYOVIIH-CYBMUJFWSA-N 0 0 329.360 1.279 10 0 EDAERN O=C(NCc1ccccn1)[C@@H]1CCC[C@@H]1C(=O)NCc1ccccn1 ZINC000152972254 224038690 /nfs/dbraw/zinc/03/86/90/224038690.db2.gz INQIBAITOJSCHO-CALCHBBNSA-N 0 0 338.411 1.826 10 0 EDAERN COC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000173315638 532961310 /nfs/dbraw/zinc/96/13/10/532961310.db2.gz PGSXUNLUZMALNW-NSHDSACASA-N 0 0 326.418 1.596 10 0 EDAERN COc1ccccc1[C@H](CNC(=O)[C@H]1CC(F)(F)CN1)N(C)C ZINC000263055751 139320055 /nfs/dbraw/zinc/32/00/55/139320055.db2.gz UYLHUAMNCOQEAZ-OLZOCXBDSA-N 0 0 327.375 1.411 10 0 EDAERN Cc1c(-c2nc([C@H]3C[NH2+]CCN3C)no2)nnn1-c1ccc(C)cc1 ZINC000263245647 139330674 /nfs/dbraw/zinc/33/06/74/139330674.db2.gz PEQPSNDOGVCMFV-CQSZACIVSA-N 0 0 339.403 1.510 10 0 EDAERN CO[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br ZINC000163915003 533058852 /nfs/dbraw/zinc/05/88/52/533058852.db2.gz ODIQHZLOGADSIK-ZCFIWIBFSA-N 0 0 337.195 1.070 10 0 EDAERN COCCN(CC(F)F)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000153586297 224126386 /nfs/dbraw/zinc/12/63/86/224126386.db2.gz LQINCQQENNTCIL-SNVBAGLBSA-N 0 0 331.367 1.599 10 0 EDAERN CNc1nnc(-c2cc(I)ccc2N)n1C ZINC000164750391 533090131 /nfs/dbraw/zinc/09/01/31/533090131.db2.gz WSMZMICDGNSMNH-UHFFFAOYSA-N 0 0 329.145 1.711 10 0 EDAERN COc1ccc2[nH]cc(CC(=O)N[C@H]3CCc4ncnn4C3)c2c1 ZINC000112647102 220363378 /nfs/dbraw/zinc/36/33/78/220363378.db2.gz QVKYYXPFVKTMOD-LBPRGKRZSA-N 0 0 325.372 1.442 10 0 EDAERN CC1CCN(c2ccc(C(=O)N[C@H]3CCc4ncnn4C3)cn2)CC1 ZINC000112650311 220364019 /nfs/dbraw/zinc/36/40/19/220364019.db2.gz IWGQDLPCSKTNIF-HNNXBMFYSA-N 0 0 340.431 1.654 10 0 EDAERN CCCOc1ccc(OCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112652017 220364338 /nfs/dbraw/zinc/36/43/38/220364338.db2.gz HTUYTJTXNUIMHQ-CYBMUJFWSA-N 0 0 330.388 1.577 10 0 EDAERN C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)N(C)c1ccccc1 ZINC000112743076 220393644 /nfs/dbraw/zinc/39/36/44/220393644.db2.gz YKRDMFCSVPPMLG-KBPBESRZSA-N 0 0 328.420 1.417 10 0 EDAERN C[C@H](CC1CC1)NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000112752562 220397804 /nfs/dbraw/zinc/39/78/04/220397804.db2.gz ANERWGGDGKEGCC-GFCCVEGCSA-N 0 0 343.435 1.384 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000187680229 533127035 /nfs/dbraw/zinc/12/70/35/533127035.db2.gz IDIRQCMGJITMSY-MRXNPFEDSA-N 0 0 349.412 1.541 10 0 EDAERN O=C(Cn1c(=O)cnc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113896914 220607839 /nfs/dbraw/zinc/60/78/39/220607839.db2.gz JLCRVOJNVSUCHT-HNNXBMFYSA-N 0 0 337.383 1.873 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1cccc(F)c1)CC2 ZINC000114916884 220778256 /nfs/dbraw/zinc/77/82/56/220778256.db2.gz PGBXVAHLJMTHDE-AWEZNQCLSA-N 0 0 331.395 1.836 10 0 EDAERN CCC[C@@H](O)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000114917989 220779706 /nfs/dbraw/zinc/77/97/06/220779706.db2.gz CGMCGZAWGJKHIY-WCQYABFASA-N 0 0 328.434 1.611 10 0 EDAERN O=C(CCCc1c[nH]c2ccccc12)NC[C@@H](O)CN1CCOCC1 ZINC000154106911 224203160 /nfs/dbraw/zinc/20/31/60/224203160.db2.gz OGGQQEHNLOCYRV-MRXNPFEDSA-N 0 0 345.443 1.300 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000115713895 220892036 /nfs/dbraw/zinc/89/20/36/220892036.db2.gz DZTIVMOZKAPYSP-UHFFFAOYSA-N 0 0 342.443 1.629 10 0 EDAERN COCCOc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccn1 ZINC000180261563 533207224 /nfs/dbraw/zinc/20/72/24/533207224.db2.gz JEZACNZHUJQYKV-OAHLLOKOSA-N 0 0 330.388 1.818 10 0 EDAERN CCOCCN1CCN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1C ZINC000117276257 221040937 /nfs/dbraw/zinc/04/09/37/221040937.db2.gz QUNASRDFZFHRQW-OAHLLOKOSA-N 0 0 345.447 1.394 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCN1CCOC ZINC000117371704 221058234 /nfs/dbraw/zinc/05/82/34/221058234.db2.gz SQIAPOSUHFOBJT-ZDUSSCGKSA-N 0 0 348.415 1.696 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000117293215 221045106 /nfs/dbraw/zinc/04/51/06/221045106.db2.gz RJSMEHNMLYAVBU-OAHLLOKOSA-N 0 0 328.416 1.665 10 0 EDAERN COCCN1CCN(C(=O)c2cnc(-c3ccccn3)s2)C[C@H]1C ZINC000117295238 221046711 /nfs/dbraw/zinc/04/67/11/221046711.db2.gz WKADHAGEENNKNL-CYBMUJFWSA-N 0 0 346.456 1.998 10 0 EDAERN COCCN1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000117296485 221047885 /nfs/dbraw/zinc/04/78/85/221047885.db2.gz IMVKSJVBMYVBSR-CQSZACIVSA-N 0 0 330.428 1.537 10 0 EDAERN CC[C@H]1CN(C(=O)c2ccc(C(=O)OC)cc2)CCN1CCOC ZINC000117308631 221051322 /nfs/dbraw/zinc/05/13/22/221051322.db2.gz LJCCJHHFPBSDLO-INIZCTEOSA-N 0 0 334.416 1.656 10 0 EDAERN CCCc1ccccc1NC(=O)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117522572 221073972 /nfs/dbraw/zinc/07/39/72/221073972.db2.gz UJTHVJZQCVQIHC-HNNXBMFYSA-N 0 0 347.459 1.757 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C)C[C@@H]1C ZINC000117522131 221074054 /nfs/dbraw/zinc/07/40/54/221074054.db2.gz OHBWZXSERKFQOO-ZDUSSCGKSA-N 0 0 337.395 1.252 10 0 EDAERN COCCN1CCN(C(=O)NCc2cccc(COC)c2)C[C@H]1C ZINC000117477365 221067852 /nfs/dbraw/zinc/06/78/52/221067852.db2.gz PPNYXKUFJKWGRO-OAHLLOKOSA-N 0 0 335.448 1.695 10 0 EDAERN Cc1cnn(CCNC(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 ZINC000118012766 221105856 /nfs/dbraw/zinc/10/58/56/221105856.db2.gz GFIHAMJATREKGV-UHFFFAOYSA-N 0 0 329.404 1.644 10 0 EDAERN C[C@@H](Oc1cccnc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000117792670 221090146 /nfs/dbraw/zinc/09/01/46/221090146.db2.gz GRLCYDDWXSKUOT-CYBMUJFWSA-N 0 0 327.388 1.742 10 0 EDAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCn1cc(C)cn1 ZINC000117816686 221093066 /nfs/dbraw/zinc/09/30/66/221093066.db2.gz FMGRNFHQOGDPMY-GOSISDBHSA-N 0 0 340.427 1.844 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000118115364 221121374 /nfs/dbraw/zinc/12/13/74/221121374.db2.gz UUSCXKHFPSCNRL-SNVBAGLBSA-N 0 0 346.214 1.379 10 0 EDAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000119615366 221360377 /nfs/dbraw/zinc/36/03/77/221360377.db2.gz XZVNTCMBOGZTBO-UHFFFAOYSA-N 0 0 330.363 1.900 10 0 EDAERN CCc1nnc(CN2CCOC[C@H]2CC(=O)c2cccs2)n1C ZINC000119586870 221354495 /nfs/dbraw/zinc/35/44/95/221354495.db2.gz HDOVLYWFBREQHQ-GFCCVEGCSA-N 0 0 334.445 1.913 10 0 EDAERN C[C@@H]1COC[C@H](C)N1C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000155027798 224345992 /nfs/dbraw/zinc/34/59/92/224345992.db2.gz CSNFMCBTEXPUOE-PHIMTYICSA-N 0 0 342.342 1.654 10 0 EDAERN O=C(Nc1n[nH]c(SCCO)n1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000155327315 224397864 /nfs/dbraw/zinc/39/78/64/224397864.db2.gz VAHCNMXVAVJGBY-BDAKNGLRSA-N 0 0 340.355 1.910 10 0 EDAERN Cc1ccc(N2CC3(C2)C[C@@H](Oc2cncc(C)n2)CCO3)nn1 ZINC000253601356 257657409 /nfs/dbraw/zinc/65/74/09/257657409.db2.gz QAJHDWXCTOPYEI-AWEZNQCLSA-N 0 0 327.388 1.700 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)OCc1ccccc1 ZINC000155323545 533284959 /nfs/dbraw/zinc/28/49/59/533284959.db2.gz GGLPYODIXIRVOI-ZFWWWQNUSA-N 0 0 344.415 1.981 10 0 EDAERN CS(=O)(=O)CC[S@@](=O)Cc1ccc(Br)c(N)c1 ZINC000159511214 533363263 /nfs/dbraw/zinc/36/32/63/533363263.db2.gz QILWXOLHOMQVAE-INIZCTEOSA-N 0 0 340.264 1.325 10 0 EDAERN CS(=O)(=O)N1CCC[C@@H](COc2c(Cl)cccc2CO)C1 ZINC000165832419 533385786 /nfs/dbraw/zinc/38/57/86/533385786.db2.gz AXMIRRFOVZATEO-LLVKDONJSA-N 0 0 333.837 1.883 10 0 EDAERN COc1cc(Br)c(N)cc1S(=O)(=O)NC[C@@H]1C[C@H]1C ZINC000158854087 533487319 /nfs/dbraw/zinc/48/73/19/533487319.db2.gz WOSSXEYQXDKJIN-SFYZADRCSA-N 0 0 349.250 1.974 10 0 EDAERN CSCCN(C)S(=O)(=O)c1cc(CN)oc1Br ZINC000168541302 533580175 /nfs/dbraw/zinc/58/01/75/533580175.db2.gz GNOLBHHXJNTCGZ-UHFFFAOYSA-N 0 0 343.268 1.484 10 0 EDAERN O=C([C@@H]1CC(=O)C[C@@H]1C(=O)N1CCC12CCC2)N1CCC12CCC2 ZINC000333413843 304293824 /nfs/dbraw/zinc/29/38/24/304293824.db2.gz DQPZUHQMLLVCQF-GASCZTMLSA-N 0 0 330.428 1.892 10 0 EDAERN CC(C)[C@@H](C(=O)N1CCN(c2cccnn2)CC1)c1ccncc1 ZINC000329448292 140724611 /nfs/dbraw/zinc/72/46/11/140724611.db2.gz OHFCLEQRCPUKFS-QGZVFWFLSA-N 0 0 325.416 1.960 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)CN1c2ccccc2CCCC1=O ZINC000329958361 140787362 /nfs/dbraw/zinc/78/73/62/140787362.db2.gz QNVYCCUJPDXXFC-ZDUSSCGKSA-N 0 0 329.400 1.933 10 0 EDAERN Cn1nncc1S(=O)(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000330045068 140797595 /nfs/dbraw/zinc/79/75/95/140797595.db2.gz HYTMHJDFROHMOM-LBPRGKRZSA-N 0 0 326.809 1.994 10 0 EDAERN Cc1noc(C2CN(C(=O)[C@H]3CCCN3C(=O)C3CCCC3)C2)n1 ZINC000332991809 141248081 /nfs/dbraw/zinc/24/80/81/141248081.db2.gz BKRDEVTUZDOFME-CQSZACIVSA-N 0 0 332.404 1.485 10 0 EDAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cn3c(n2)CCCC3)cn1 ZINC000333114031 141266280 /nfs/dbraw/zinc/26/62/80/141266280.db2.gz STIWYQJGJYCYAU-XJKSGUPXSA-N 0 0 329.404 1.696 10 0 EDAERN CN1C[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)Cc2ccccc21 ZINC000333355632 141304682 /nfs/dbraw/zinc/30/46/82/141304682.db2.gz SLRIEUZDTHIQAS-BBRMVZONSA-N 0 0 336.457 1.379 10 0 EDAERN CCOc1ccncc1S(=O)(=O)N1CCC[C@H](n2cccn2)C1 ZINC000333473963 141323158 /nfs/dbraw/zinc/32/31/58/141323158.db2.gz WRBRGSCTROBDRF-ZDUSSCGKSA-N 0 0 336.417 1.703 10 0 EDAERN C[C@@H]1CN(C(=O)c2nc(C3CC3)n3ccccc23)CCS(=O)(=O)C1 ZINC000333494754 141326343 /nfs/dbraw/zinc/32/63/43/141326343.db2.gz VBQMNSPPAOGLAC-GFCCVEGCSA-N 0 0 347.440 1.718 10 0 EDAERN CN(C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2)[C@@H]1CCOC1 ZINC000333497841 141326996 /nfs/dbraw/zinc/32/69/96/141326996.db2.gz VLIZISDFBJALPL-OAHLLOKOSA-N 0 0 332.404 1.833 10 0 EDAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC000333511333 141329372 /nfs/dbraw/zinc/32/93/72/141329372.db2.gz UKIXCAOXKXLOAU-HUUCEWRRSA-N 0 0 325.416 1.630 10 0 EDAERN O=C(Nc1c[nH]nc1-c1nccs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000333609865 141344420 /nfs/dbraw/zinc/34/44/20/141344420.db2.gz GNYQRFRILMPOJV-LLVKDONJSA-N 0 0 348.432 1.472 10 0 EDAERN Cc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@@H]2COCCO2)cc1 ZINC000072288355 292105416 /nfs/dbraw/zinc/10/54/16/292105416.db2.gz GIPSAZONDRXQNB-AWEZNQCLSA-N 0 0 344.371 1.002 10 0 EDAERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)Cn1ncc(=O)c2ccccc21 ZINC000329413091 286124027 /nfs/dbraw/zinc/12/40/27/286124027.db2.gz YNDAIMZNPCNYGB-PRBXQXPUSA-N 0 0 339.395 1.278 10 0 EDAERN COCCC(C)(C)CNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000186169072 292280249 /nfs/dbraw/zinc/28/02/49/292280249.db2.gz WPIJSZSSYHZBEN-OAHLLOKOSA-N 0 0 338.452 1.665 10 0 EDAERN C[C@H](CNC(=O)NCCO[C@@H]1CCCC[C@H]1C)N1CCOCC1 ZINC000077793299 287290482 /nfs/dbraw/zinc/29/04/82/287290482.db2.gz YJXLRMXSBZWBPR-BZUAXINKSA-N 0 0 327.469 1.602 10 0 EDAERN CC(C)[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)N1CCCC1=O ZINC000081449526 287313046 /nfs/dbraw/zinc/31/30/46/287313046.db2.gz GOGQPUXOWMBESX-JSGCOSHPSA-N 0 0 326.437 1.822 10 0 EDAERN CN(C(=O)c1cc(Br)cnc1N)[C@H]1CCCC[C@H]1O ZINC000157395488 224820228 /nfs/dbraw/zinc/82/02/28/224820228.db2.gz IRSOMJGHNFKHHG-WDEREUQCSA-N 0 0 328.210 1.802 10 0 EDAERN [NH3+][C@@H](Cc1cn(-c2ccc(F)cc2Br)nn1)C(=O)[O-] ZINC000157582971 224851665 /nfs/dbraw/zinc/85/16/65/224851665.db2.gz WEIWJNVBCWNMAJ-VIFPVBQESA-N 0 0 329.129 1.123 10 0 EDAERN COCCCS(=O)(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158499806 225030277 /nfs/dbraw/zinc/03/02/77/225030277.db2.gz TZZBXZMGGOWYIM-BXUZGUMPSA-N 0 0 335.372 1.439 10 0 EDAERN COCCn1ncc(NC[C@@H](C)SC)c(Br)c1=O ZINC000158564742 225044130 /nfs/dbraw/zinc/04/41/30/225044130.db2.gz JVBRRKLIZHJQJR-MRVPVSSYSA-N 0 0 336.255 1.816 10 0 EDAERN O=S1(=O)CCCC[C@@H]1[C@H](O)Cc1ccc(Br)cn1 ZINC000158378117 225000811 /nfs/dbraw/zinc/00/08/11/225000811.db2.gz DZPAAZREFHLOLE-VXGBXAGGSA-N 0 0 334.235 1.715 10 0 EDAERN CCn1ncc(N[C@H](C)CC[S@@](C)=O)c(Br)c1=O ZINC000158803190 225088234 /nfs/dbraw/zinc/08/82/34/225088234.db2.gz GJCIQQUVCFUKDP-CVJBHZAOSA-N 0 0 336.255 1.595 10 0 EDAERN Cc1cnn(CCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000158929939 225111278 /nfs/dbraw/zinc/11/12/78/225111278.db2.gz SCOUPPKTQYQWJZ-UHFFFAOYSA-N 0 0 335.216 1.872 10 0 EDAERN C[S@](=O)CCn1c(=O)[nH]c(Cl)c(-c2cccc(Cl)c2)c1=O ZINC000159679842 225259862 /nfs/dbraw/zinc/25/98/62/225259862.db2.gz UUSQDOYYITWENS-OAQYLSRUSA-N 0 0 347.223 1.889 10 0 EDAERN Cc1cc(N)ccc1[S@](=O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000165363348 226121016 /nfs/dbraw/zinc/12/10/16/226121016.db2.gz UPGSEVYOXAGPMM-YUNKPMOVSA-N 0 0 330.475 1.356 10 0 EDAERN [NH3+]C[C@@H]1CCC[C@@H]1CNc1nc[n-]c(=O)c1I ZINC000165461588 226124811 /nfs/dbraw/zinc/12/48/11/226124811.db2.gz LYPUVWJEWAYHEN-JGVFFNPUSA-N 0 0 348.188 1.161 10 0 EDAERN Cc1cc(C(N)=S)ccc1CN1CCSC[C@H]1S(C)(=O)=O ZINC000165633221 226132338 /nfs/dbraw/zinc/13/23/38/226132338.db2.gz PYYRSXBLEGTUHF-CYBMUJFWSA-N 0 0 344.527 1.549 10 0 EDAERN [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC000166667730 226164597 /nfs/dbraw/zinc/16/45/97/226164597.db2.gz JZJWVEDKXBUTBB-GMSGAONNSA-N 0 0 325.162 1.989 10 0 EDAERN O=C(c1ccccc1I)N1CCO[C@@H](CO)C1 ZINC000168050265 226205612 /nfs/dbraw/zinc/20/56/12/226205612.db2.gz ZCCFXQYVWDPHKQ-SECBINFHSA-N 0 0 347.152 1.125 10 0 EDAERN C[C@H]1CO[C@H](CO)CN1CC(=O)c1ccccc1Br ZINC000168211443 226209999 /nfs/dbraw/zinc/20/99/99/226209999.db2.gz GYOQVGSVNZYHFB-QWRGUYRKSA-N 0 0 328.206 1.713 10 0 EDAERN C[C@H]1CO[C@H](CO)CN1C(=O)/C=C/c1ccc(Br)o1 ZINC000168470179 226214706 /nfs/dbraw/zinc/21/47/06/226214706.db2.gz YEIQVNMXLPYWDS-JAQYDWNVSA-N 0 0 330.178 1.664 10 0 EDAERN O=C(c1ncc(Cl)c(Cl)c1Cl)N1CCOC[C@@H]1CO ZINC000168537339 226217156 /nfs/dbraw/zinc/21/71/56/226217156.db2.gz ZZMZSEYMJPNPOP-LURJTMIESA-N 0 0 325.579 1.875 10 0 EDAERN Cc1cc(NC(=O)CN2CCOC[C@@H]2CO)ccc1Br ZINC000168904503 226226039 /nfs/dbraw/zinc/22/60/39/226226039.db2.gz KFLXVEGYJNALNP-LBPRGKRZSA-N 0 0 343.221 1.389 10 0 EDAERN Cc1cc(Cl)c(C(=O)NC2CCN(S(C)(=O)=O)CC2)cn1 ZINC000169245240 226235781 /nfs/dbraw/zinc/23/57/81/226235781.db2.gz PUNXAGIFLRGMSF-UHFFFAOYSA-N 0 0 331.825 1.197 10 0 EDAERN O=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1C[C@H]1CCCO1 ZINC000170037909 226599561 /nfs/dbraw/zinc/59/95/61/226599561.db2.gz NDBMRBVVHVOUAC-OAHLLOKOSA-N 0 0 342.395 1.278 10 0 EDAERN COCCn1ccc(NC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)n1 ZINC000170877175 226778709 /nfs/dbraw/zinc/77/87/09/226778709.db2.gz NWDQGFROJZLZSA-ZDUSSCGKSA-N 0 0 348.407 1.708 10 0 EDAERN C[C@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)c1nnc2n1CCCC2 ZINC000122004394 221993249 /nfs/dbraw/zinc/99/32/49/221993249.db2.gz QYZZCSRAYQTCGR-VIFPVBQESA-N 0 0 346.366 1.735 10 0 EDAERN CN(C)c1ccc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000122136674 222020872 /nfs/dbraw/zinc/02/08/72/222020872.db2.gz CLSXVSNLDBAVTH-HNNXBMFYSA-N 0 0 340.431 1.679 10 0 EDAERN COC(=O)c1ccccc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000122341419 222064920 /nfs/dbraw/zinc/06/49/20/222064920.db2.gz HDMQGQGTLJQOSP-MRXNPFEDSA-N 0 0 329.400 1.879 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000122373685 222074263 /nfs/dbraw/zinc/07/42/63/222074263.db2.gz AQSXMNHCYPQQIL-GWCFXTLKSA-N 0 0 346.435 1.801 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000122373929 222074533 /nfs/dbraw/zinc/07/45/33/222074533.db2.gz AQSXMNHCYPQQIL-GXFFZTMASA-N 0 0 346.435 1.801 10 0 EDAERN CN1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1=O ZINC000122653107 222132017 /nfs/dbraw/zinc/13/20/17/222132017.db2.gz KBKNEWPXIOPTAD-GFCCVEGCSA-N 0 0 329.322 1.644 10 0 EDAERN COc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000123241314 222241683 /nfs/dbraw/zinc/24/16/83/222241683.db2.gz RNJOPJLEDAXUMO-ACJLOTCBSA-N 0 0 332.400 1.787 10 0 EDAERN O=C(Nc1cccnc1OCC(F)F)N[C@@H]1CCCn2ncnc21 ZINC000123587921 222302652 /nfs/dbraw/zinc/30/26/52/222302652.db2.gz NVUVGODOVSUZCS-SECBINFHSA-N 0 0 338.318 1.974 10 0 EDAERN Cc1noc(CN2CCN(C(=O)N[C@H]3COc4ccccc43)CC2)n1 ZINC000124896641 222493330 /nfs/dbraw/zinc/49/33/30/222493330.db2.gz KGIHELNYOQTDOB-AWEZNQCLSA-N 0 0 343.387 1.339 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC)C(=O)OC ZINC000084370887 267407298 /nfs/dbraw/zinc/40/72/98/267407298.db2.gz HIAVWLPCBMQQIM-SNPRPXQTSA-N 0 0 334.416 1.899 10 0 EDAERN CCS(=O)(=O)NCCCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087086336 267426534 /nfs/dbraw/zinc/42/65/34/267426534.db2.gz JOPDNIYDSSLANI-LBPRGKRZSA-N 0 0 345.440 1.824 10 0 EDAERN CCCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000178417214 267562834 /nfs/dbraw/zinc/56/28/34/267562834.db2.gz DBAYSTUQOVGEBT-UONOGXRCSA-N 0 0 340.468 1.095 10 0 EDAERN O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1 ZINC000173951039 275030029 /nfs/dbraw/zinc/03/00/29/275030029.db2.gz NELADKJSQHAFAY-DLBZAZTESA-N 0 0 349.862 1.852 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3c(s1)CCOC3)CC2 ZINC000114863811 276703399 /nfs/dbraw/zinc/70/33/99/276703399.db2.gz IJCKTEHVYAZBMK-LLVKDONJSA-N 0 0 332.429 1.720 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000246709776 278143809 /nfs/dbraw/zinc/14/38/09/278143809.db2.gz NIWGDZKIWZNEDL-KLHDSHLOSA-N 0 0 335.448 1.644 10 0 EDAERN CC1=C(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)[C@H](C)n2ncnc2N1C ZINC000192536458 278484044 /nfs/dbraw/zinc/48/40/44/278484044.db2.gz UVGBCCYQQUMASA-PMUMKWKESA-N 0 0 345.447 1.717 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000177713040 279133201 /nfs/dbraw/zinc/13/32/01/279133201.db2.gz IFTDMNXPLQRHIX-IYNGYCSASA-N 0 0 326.356 1.980 10 0 EDAERN CCN1CCO[C@H](C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1 ZINC000176412191 279387613 /nfs/dbraw/zinc/38/76/13/279387613.db2.gz HIPXOYDNDQMHLR-CABCVRRESA-N 0 0 347.463 1.389 10 0 EDAERN O=C(Nc1c[nH]nc1-c1nccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000333609866 280004815 /nfs/dbraw/zinc/00/48/15/280004815.db2.gz GNYQRFRILMPOJV-NSHDSACASA-N 0 0 348.432 1.472 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCCC(=O)N2CCCCC2)C[C@]12CCCO2 ZINC000333953698 280044409 /nfs/dbraw/zinc/04/44/09/280044409.db2.gz DOSBFBLPPQLHIB-FUHWJXTLSA-N 0 0 337.464 1.988 10 0 EDAERN Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccoc1)CC2 ZINC000065284538 294156451 /nfs/dbraw/zinc/15/64/51/294156451.db2.gz JULAPUQCVGWAAR-UHFFFAOYSA-N 0 0 342.399 1.628 10 0 EDAERN Cn1cc(C(=O)C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)cn1 ZINC000171305369 294204384 /nfs/dbraw/zinc/20/43/84/294204384.db2.gz UXXLXOFSIQGCLP-HNNXBMFYSA-N 0 0 327.384 1.982 10 0 EDAERN Cn1cccc(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)c1=O ZINC000086431687 294370401 /nfs/dbraw/zinc/37/04/01/294370401.db2.gz QXTGJQICYQCGII-CQSZACIVSA-N 0 0 325.368 1.518 10 0 EDAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000113444874 300314800 /nfs/dbraw/zinc/31/48/00/300314800.db2.gz XLQNZNIAEYKGNB-CMPLNLGQSA-N 0 0 344.440 1.521 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000118081801 302402451 /nfs/dbraw/zinc/40/24/51/302402451.db2.gz QBRLSWFIFDZPCI-MRXNPFEDSA-N 0 0 343.431 1.190 10 0 EDAERN Cc1csc([C@@H]2COCCN2C(=O)c2cnn3ccncc23)n1 ZINC000329515617 302440346 /nfs/dbraw/zinc/44/03/46/302440346.db2.gz OOTAEGRBSCEHLH-ZDUSSCGKSA-N 0 0 329.385 1.708 10 0 EDAERN CNC(=O)Cc1noc(CCOc2ccc(CCC(C)=O)cc2)n1 ZINC000162778244 302934353 /nfs/dbraw/zinc/93/43/53/302934353.db2.gz JNQUFYYEULWOQF-UHFFFAOYSA-N 0 0 331.372 1.501 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)CN2CCCC2=O)C1 ZINC000171002429 302941299 /nfs/dbraw/zinc/94/12/99/302941299.db2.gz PHTXJYFROLRGCZ-KGLIPLIRSA-N 0 0 338.452 1.088 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)no1 ZINC000171234072 302942859 /nfs/dbraw/zinc/94/28/59/302942859.db2.gz PZAQUJMQDSRQAO-CABCVRRESA-N 0 0 348.447 1.806 10 0 EDAERN NC(=O)[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)C[C@H]1C(F)(F)F ZINC000299746550 303658016 /nfs/dbraw/zinc/65/80/16/303658016.db2.gz YCJLZCCYSIGPRR-RKDXNWHRSA-N 0 0 326.278 1.299 10 0 EDAERN OC1[C@H]2OC3(CCCCC3)O[C@H]2[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000100034563 304822340 /nfs/dbraw/zinc/82/23/40/304822340.db2.gz LJLFYCLESOMKAW-FULDMSRCSA-N 0 0 340.416 1.611 10 0 EDAERN CCn1cc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)cn1 ZINC000548673707 306134655 /nfs/dbraw/zinc/13/46/55/306134655.db2.gz VZCKXSSQNZAJRK-INIZCTEOSA-N 0 0 333.461 1.905 10 0 EDAERN O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NC1CCC2(CC1)OCCO2 ZINC000070693948 441115647 /nfs/dbraw/zinc/11/56/47/441115647.db2.gz GDMBZCKJYUNQKI-JKSUJKDBSA-N 0 0 338.448 1.432 10 0 EDAERN CC(C)(C)OC(=O)[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)[C@@H]1[NH3+] ZINC000071617695 441147829 /nfs/dbraw/zinc/14/78/29/441147829.db2.gz UEBZABGVZOODOF-KSSFIOAISA-N 0 0 334.416 1.980 10 0 EDAERN CC(C)CNC(=O)c1cn([C@@H]2CCCN(C(=O)C3CCC3)C2)nn1 ZINC000015004191 441192791 /nfs/dbraw/zinc/19/27/91/441192791.db2.gz KHBWIQFKOHWIIT-CQSZACIVSA-N 0 0 333.436 1.628 10 0 EDAERN O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCOCC2)nc1 ZINC000015777889 441210374 /nfs/dbraw/zinc/21/03/74/441210374.db2.gz WGVXIPZKZIJXQM-UHFFFAOYSA-N 0 0 328.328 1.294 10 0 EDAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104799360 441212285 /nfs/dbraw/zinc/21/22/85/441212285.db2.gz HLRLOVKOIKVGBJ-CQSZACIVSA-N 0 0 343.374 1.760 10 0 EDAERN CN1CCO[C@H](CNC(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000105282999 441247399 /nfs/dbraw/zinc/24/73/99/441247399.db2.gz ADFLMFSUNKTHJB-IAGOWNOFSA-N 0 0 332.448 1.015 10 0 EDAERN Cc1cc(NC(=O)[C@H](C)N2CCCN(c3ccc(C)nn3)CC2)on1 ZINC000105801294 441272932 /nfs/dbraw/zinc/27/29/32/441272932.db2.gz YRRNIZSOQOSOKD-AWEZNQCLSA-N 0 0 344.419 1.621 10 0 EDAERN COc1ccc(CNC(=O)CN(C)[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000081566748 441291138 /nfs/dbraw/zinc/29/11/38/441291138.db2.gz AHXNVFKYHRYGSG-ZDUSSCGKSA-N 0 0 336.432 1.973 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000105851815 441291918 /nfs/dbraw/zinc/29/19/18/441291918.db2.gz UTABJRWBNIHFAD-UONOGXRCSA-N 0 0 333.436 1.400 10 0 EDAERN COC(C)(C)CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000073557614 441324406 /nfs/dbraw/zinc/32/44/06/441324406.db2.gz LWDFBEWMBXGSNW-GFCCVEGCSA-N 0 0 326.418 1.629 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2)CC1 ZINC000106393364 441337217 /nfs/dbraw/zinc/33/72/17/441337217.db2.gz REDGYTDBUIJJTE-QGZVFWFLSA-N 0 0 340.427 1.672 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000106394279 441337588 /nfs/dbraw/zinc/33/75/88/441337588.db2.gz NWWYIJLGGQFYIF-CQSZACIVSA-N 0 0 330.384 1.322 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)c2cc3ccccc3c(OC)n2)CC1 ZINC000106397591 441338262 /nfs/dbraw/zinc/33/82/62/441338262.db2.gz HJIGVNDYEBIGMC-HNNXBMFYSA-N 0 0 343.427 1.772 10 0 EDAERN CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865836 441296828 /nfs/dbraw/zinc/29/68/28/441296828.db2.gz HHNVDUFNCOGOII-PBHICJAKSA-N 0 0 349.523 1.848 10 0 EDAERN O=C(Nc1ccn(Cc2ccncc2)n1)N[C@H]1CCCC[C@@H]1CO ZINC000081632195 441298209 /nfs/dbraw/zinc/29/82/09/441298209.db2.gz RLWXPFALBQXBNB-CABCVRRESA-N 0 0 329.404 1.999 10 0 EDAERN CC(C)CCNC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869653 441300610 /nfs/dbraw/zinc/30/06/10/441300610.db2.gz ORPZJABVDNTLMI-MRXNPFEDSA-N 0 0 335.496 1.479 10 0 EDAERN CN(CC(=O)NC(C)(C)C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874454 441302622 /nfs/dbraw/zinc/30/26/22/441302622.db2.gz VPAWAUJCHSVRBD-CQSZACIVSA-N 0 0 339.505 1.968 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883046 441306130 /nfs/dbraw/zinc/30/61/30/441306130.db2.gz ZUPQFMXMLDXVEA-OAHLLOKOSA-N 0 0 341.415 1.831 10 0 EDAERN COc1ccc(C)cc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105888658 441307998 /nfs/dbraw/zinc/30/79/98/441307998.db2.gz ZGECJIALEQORBP-HNNXBMFYSA-N 0 0 344.415 1.540 10 0 EDAERN Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3)CCO2)c1 ZINC000105891206 441309123 /nfs/dbraw/zinc/30/91/23/441309123.db2.gz WZMAYOYRXTYLCX-RDJZCZTQSA-N 0 0 328.416 1.920 10 0 EDAERN CCc1nccn1[C@H]1CCCN(CC(=O)Nc2cc(C)nn2C)C1 ZINC000105897119 441311493 /nfs/dbraw/zinc/31/14/93/441311493.db2.gz OKBCUHUOOLPLKI-AWEZNQCLSA-N 0 0 330.436 1.763 10 0 EDAERN CCn1cnnc1C1CCN(CC(=O)NCc2ccccc2F)CC1 ZINC000105929816 441318796 /nfs/dbraw/zinc/31/87/96/441318796.db2.gz RWFJYLUEVITXAL-UHFFFAOYSA-N 0 0 345.422 1.933 10 0 EDAERN C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000106904956 441386869 /nfs/dbraw/zinc/38/68/69/441386869.db2.gz AQFUUDFLZVYPSI-KRWDZBQOSA-N 0 0 345.487 1.876 10 0 EDAERN CC(C)c1n[nH]c(C(=O)NC[C@H]2CN(C)CCO2)c1Br ZINC000106912929 441388942 /nfs/dbraw/zinc/38/89/42/441388942.db2.gz RFLKGSHIPBWDRS-VIFPVBQESA-N 0 0 345.241 1.356 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(Br)cc2)C1 ZINC000106561318 441356481 /nfs/dbraw/zinc/35/64/81/441356481.db2.gz MOGIMPWGPSEEDR-ZDUSSCGKSA-N 0 0 342.237 1.579 10 0 EDAERN CN(Cc1nnc(C2CC2)n1C)C[C@H](O)COCc1ccccc1 ZINC000084963834 441427350 /nfs/dbraw/zinc/42/73/50/441427350.db2.gz DFNBCJHSFNFOBG-INIZCTEOSA-N 0 0 330.432 1.702 10 0 EDAERN C[C@@]1(n2cc(C3=CCN(CCCF)CC3)cn2)CCS(=O)(=O)C1 ZINC000065422690 441430653 /nfs/dbraw/zinc/43/06/53/441430653.db2.gz RKWZVPRDGNOTOR-MRXNPFEDSA-N 0 0 341.452 1.866 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCN(Cc2cc(C)on2)CC1)C(C)C ZINC000108254880 441438905 /nfs/dbraw/zinc/43/89/05/441438905.db2.gz TYJYNKFDGJSHGK-CQSZACIVSA-N 0 0 338.408 1.008 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](NC(=O)OC)C(C)C)C1 ZINC000108278574 441440527 /nfs/dbraw/zinc/44/05/27/441440527.db2.gz DHQPOWFXJNFBIH-UKRRQHHQSA-N 0 0 336.436 1.990 10 0 EDAERN C[C@@H](C(N)=O)N1CCN(c2nn3cc(C(C)(C)C)nc3s2)CC1 ZINC000085704798 441448189 /nfs/dbraw/zinc/44/81/89/441448189.db2.gz JDLVEDYKFZXNNS-JTQLQIEISA-N 0 0 336.465 1.084 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000087563204 441493702 /nfs/dbraw/zinc/49/37/02/441493702.db2.gz HWNONQSAXIMLFR-CQSZACIVSA-N 0 0 341.415 1.807 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000088755967 441518533 /nfs/dbraw/zinc/51/85/33/441518533.db2.gz GVFASLHLOYXFQK-LSDHHAIUSA-N 0 0 343.431 1.751 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(F)ccc1F ZINC000088787149 441522402 /nfs/dbraw/zinc/52/24/02/441522402.db2.gz PNCXTLLPESTHSV-NSHDSACASA-N 0 0 342.371 1.932 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1F ZINC000088787203 441522738 /nfs/dbraw/zinc/52/27/38/441522738.db2.gz XRELMDKZTWBNFU-NSHDSACASA-N 0 0 342.371 1.932 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1F ZINC000088817137 441524364 /nfs/dbraw/zinc/52/43/64/441524364.db2.gz STRCZMGEFLFAKE-GFCCVEGCSA-N 0 0 349.341 1.709 10 0 EDAERN COC(=O)[C@@H]1CCCCN1Cc1csc(CS(C)(=O)=O)n1 ZINC000075649029 441545011 /nfs/dbraw/zinc/54/50/11/441545011.db2.gz TZVKLJQLFDGALS-NSHDSACASA-N 0 0 332.447 1.215 10 0 EDAERN CC[C@@](C)(O)CNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000075224624 441511200 /nfs/dbraw/zinc/51/12/00/441511200.db2.gz VOYFANKLIZCKPF-RHSMWYFYSA-N 0 0 342.386 1.996 10 0 EDAERN COc1ccccc1NCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112912469 441566567 /nfs/dbraw/zinc/56/65/67/441566567.db2.gz KKVRDKCCOMGNJU-HNNXBMFYSA-N 0 0 344.415 1.540 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000113885909 441626335 /nfs/dbraw/zinc/62/63/35/441626335.db2.gz GTKQJOQSDOKEMQ-LLVKDONJSA-N 0 0 338.389 1.278 10 0 EDAERN O=C(CN1CCCC[C@@H]1c1cn[nH]c1)NC(=O)NCc1ccccc1 ZINC000114201071 441641731 /nfs/dbraw/zinc/64/17/31/441641731.db2.gz MDINUDLBEYPCAG-MRXNPFEDSA-N 0 0 341.415 1.963 10 0 EDAERN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cc1Cl ZINC000041600612 441662502 /nfs/dbraw/zinc/66/25/02/441662502.db2.gz FEGSXQZGQUJZEP-GFCCVEGCSA-N 0 0 339.823 1.424 10 0 EDAERN C[S@](=O)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 ZINC000114485793 441663431 /nfs/dbraw/zinc/66/34/31/441663431.db2.gz UZZAAUCYLNTAHC-HSZRJFAPSA-N 0 0 331.401 1.631 10 0 EDAERN Cc1ccnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1 ZINC000115205137 441717549 /nfs/dbraw/zinc/71/75/49/441717549.db2.gz VHHZNVKTYXRSHY-XJKSGUPXSA-N 0 0 327.388 1.672 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@@H]1c3ccccc3NC1=O)CC2 ZINC000114866807 441693900 /nfs/dbraw/zinc/69/39/00/441693900.db2.gz QWYIMFSZHLXFBF-WCQYABFASA-N 0 0 339.399 1.398 10 0 EDAERN O=C(CCNS(=O)(=O)c1cccs1)NC[C@H]1CCCC[C@H]1O ZINC000158281014 441718207 /nfs/dbraw/zinc/71/82/07/441718207.db2.gz SRMUTVVJHZKDKI-VXGBXAGGSA-N 0 0 346.474 1.084 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CCOC)CC(F)F)CC2 ZINC000114976801 441707355 /nfs/dbraw/zinc/70/73/55/441707355.db2.gz MDUGJFHUALXTMO-JTQLQIEISA-N 0 0 331.367 1.078 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)CCC3CCOCC3)CC2)no1 ZINC000173306434 441708415 /nfs/dbraw/zinc/70/84/15/441708415.db2.gz JSKCPRIOJRNQRR-UHFFFAOYSA-N 0 0 336.436 1.619 10 0 EDAERN CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115201483 441715520 /nfs/dbraw/zinc/71/55/20/441715520.db2.gz QKAXVEBRNWZNJS-FUHWJXTLSA-N 0 0 340.427 1.988 10 0 EDAERN CCOc1c(F)cccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000173335473 441715984 /nfs/dbraw/zinc/71/59/84/441715984.db2.gz LUXNIAGNCTXDIY-CYBMUJFWSA-N 0 0 333.363 1.962 10 0 EDAERN COC(=O)CC(C)(C)CC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000137097420 441746815 /nfs/dbraw/zinc/74/68/15/441746815.db2.gz LYYOVKOYUILVOA-UHFFFAOYSA-N 0 0 334.420 1.859 10 0 EDAERN Cc1csc([C@H]2CCCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)n1 ZINC000173427964 441747753 /nfs/dbraw/zinc/74/77/53/441747753.db2.gz MYCAFCKJNUWVBY-STQMWFEESA-N 0 0 336.461 1.948 10 0 EDAERN COCCN1CCN(CC(=O)Nc2nnc(C(C)C)s2)C[C@@H]1C ZINC000137130755 441748535 /nfs/dbraw/zinc/74/85/35/441748535.db2.gz XOGFLNIQTZDUFY-LBPRGKRZSA-N 0 0 341.481 1.253 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000077150141 441724090 /nfs/dbraw/zinc/72/40/90/441724090.db2.gz YDKMGYZPCJWGSX-NVXWUHKLSA-N 0 0 341.411 1.573 10 0 EDAERN O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCCC[C@@H]1O ZINC000077162156 441725510 /nfs/dbraw/zinc/72/55/10/441725510.db2.gz XSKGPJNSCCQBJP-BBRMVZONSA-N 0 0 343.427 1.913 10 0 EDAERN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000136813020 441725704 /nfs/dbraw/zinc/72/57/04/441725704.db2.gz XGNGKNSGLHMLOK-OWCLPIDISA-N 0 0 341.496 1.942 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](C)Cc3cc(C)n[nH]3)CCO2)[nH]1 ZINC000158331845 441725858 /nfs/dbraw/zinc/72/58/58/441725858.db2.gz ZOSVZJOBMDDSHJ-MFKMUULPSA-N 0 0 347.423 1.113 10 0 EDAERN CC(C)Nc1ncnc2c1ncn2C[C@H](O)COCc1ccco1 ZINC000116400747 441818165 /nfs/dbraw/zinc/81/81/65/441818165.db2.gz HRHZGCKPHZNZTD-LBPRGKRZSA-N 0 0 331.376 1.817 10 0 EDAERN C[C@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccn1 ZINC000115784453 441776647 /nfs/dbraw/zinc/77/66/47/441776647.db2.gz CNWKAJMRTFTFOD-HNNXBMFYSA-N 0 0 342.447 1.794 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCc3cccc(F)c3F)CCO2)[nH]1 ZINC000173530188 441780796 /nfs/dbraw/zinc/78/07/96/441780796.db2.gz YHFLSOVGLLCPEO-ZDUSSCGKSA-N 0 0 336.342 1.924 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H]3COc4ccccc43)CCO2)[nH]1 ZINC000137985103 441782072 /nfs/dbraw/zinc/78/20/72/441782072.db2.gz UPUBIIPYKUSIFY-JSGCOSHPSA-N 0 0 343.387 1.584 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(-c4ccco4)on3)CCO2)[nH]1 ZINC000173544000 441786344 /nfs/dbraw/zinc/78/63/44/441786344.db2.gz ZFSIKBKYRSWEQX-CYBMUJFWSA-N 0 0 329.316 1.575 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)[C@@H](C)C3CC3)C2=O)n(C)n1 ZINC000173568454 441794655 /nfs/dbraw/zinc/79/46/55/441794655.db2.gz WFHYNPJEMJWFMZ-JSGCOSHPSA-N 0 0 333.436 1.664 10 0 EDAERN COCc1cc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)no1 ZINC000173590571 441800607 /nfs/dbraw/zinc/80/06/07/441800607.db2.gz AIAXDTWJPXOXTP-LBPRGKRZSA-N 0 0 331.376 1.352 10 0 EDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)N1CCSc2ccccc21 ZINC000173924162 441862652 /nfs/dbraw/zinc/86/26/52/441862652.db2.gz KFZBBWSOIFAAAS-HNNXBMFYSA-N 0 0 347.484 1.532 10 0 EDAERN Cc1csc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000043258009 441826848 /nfs/dbraw/zinc/82/68/48/441826848.db2.gz OIMAHHFSWMFQKA-VIFPVBQESA-N 0 0 340.430 1.982 10 0 EDAERN CCCNC(=O)c1cccc(NC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000077674240 441827618 /nfs/dbraw/zinc/82/76/18/441827618.db2.gz LLNGAZYEUGXLEM-INIZCTEOSA-N 0 0 346.431 1.959 10 0 EDAERN CCN(CC)C(=O)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000077712021 441836476 /nfs/dbraw/zinc/83/64/76/441836476.db2.gz PHACAXLFNATONI-AWEZNQCLSA-N 0 0 333.432 1.887 10 0 EDAERN CCc1ccc(OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000173849353 441849876 /nfs/dbraw/zinc/84/98/76/441849876.db2.gz GQSPYIZZINCGGO-QAPCUYQASA-N 0 0 332.444 1.807 10 0 EDAERN C[C@H](CCc1cccn1C)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173896223 441857132 /nfs/dbraw/zinc/85/71/32/441857132.db2.gz IVXFNXWRLPRSNN-NVXWUHKLSA-N 0 0 334.464 1.462 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC(=O)NCC1CCC1 ZINC000174239699 441906382 /nfs/dbraw/zinc/90/63/82/441906382.db2.gz YBRYADMSFQIGSQ-AWEZNQCLSA-N 0 0 325.453 1.892 10 0 EDAERN O=C1N[C@H](c2cc(Cl)ccc2Br)N2CCOC[C@H]12 ZINC000093883107 441898825 /nfs/dbraw/zinc/89/88/25/441898825.db2.gz UORMVDSEEISRMM-MNOVXSKESA-N 0 0 331.597 1.932 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N2CCN(C3CC3)CC2)[C@H]1c1ccc(F)cc1 ZINC000119341908 441928961 /nfs/dbraw/zinc/92/89/61/441928961.db2.gz MDYLVMJXHPZRHC-SJLPKXTDSA-N 0 0 345.418 1.652 10 0 EDAERN CC(=O)c1cc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n(C)c1 ZINC000150713700 441933604 /nfs/dbraw/zinc/93/36/04/441933604.db2.gz WYIUZKYNLLUGCJ-ZDUSSCGKSA-N 0 0 329.404 1.687 10 0 EDAERN COCC[C@H](C)NC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000174543969 441936304 /nfs/dbraw/zinc/93/63/04/441936304.db2.gz XTTWUCQIYNHQOC-LBPRGKRZSA-N 0 0 325.413 1.020 10 0 EDAERN CC(C)CC(=O)NCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000174988999 441991749 /nfs/dbraw/zinc/99/17/49/441991749.db2.gz UHGKBEOCDSEYCL-CYBMUJFWSA-N 0 0 335.452 1.385 10 0 EDAERN CCc1cnc(CCNC(=O)N[C@H]2CCc3nc(CC)nn3C2)s1 ZINC000174959337 441988868 /nfs/dbraw/zinc/98/88/68/441988868.db2.gz AGNKHHJLTNGCBM-NSHDSACASA-N 0 0 348.476 1.716 10 0 EDAERN CCc1cc(=O)[nH]c(CN2CCN(Cc3c(C)nn(C)c3C)CC2)n1 ZINC000120066774 442001955 /nfs/dbraw/zinc/00/19/55/442001955.db2.gz SPVHJAFGKYFXQJ-UHFFFAOYSA-N 0 0 344.463 1.413 10 0 EDAERN CO[C@@H](C)c1noc(CN2CCN([C@H](C)c3nc(C)no3)CC2)n1 ZINC000175192404 442014487 /nfs/dbraw/zinc/01/44/87/442014487.db2.gz FZIRFHMEUKKQMP-MNOVXSKESA-N 0 0 336.396 1.347 10 0 EDAERN CCN(C)S(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175225180 442021332 /nfs/dbraw/zinc/02/13/32/442021332.db2.gz LHACMPDVYDDNAI-OLZOCXBDSA-N 0 0 347.506 1.296 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(F)ccc3O)CCO2)n1 ZINC000175227105 442021701 /nfs/dbraw/zinc/02/17/01/442021701.db2.gz PXOLTLGJULBPCL-AWEZNQCLSA-N 0 0 333.363 1.886 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)NCCOc3ccc(C)cc3)CCO2)[nH]1 ZINC000175298559 442036247 /nfs/dbraw/zinc/03/62/47/442036247.db2.gz CPBZFEPBZQEODV-OAHLLOKOSA-N 0 0 345.403 1.583 10 0 EDAERN CCCCOCCCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175614468 442093453 /nfs/dbraw/zinc/09/34/53/442093453.db2.gz AZIXJKUKHNIIIE-HOTGVXAUSA-N 0 0 327.469 1.555 10 0 EDAERN C[C@@H](CS(=O)(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000151380057 442051401 /nfs/dbraw/zinc/05/14/01/442051401.db2.gz DXBNEWGABIBZSX-YOEHRIQHSA-N 0 0 338.473 1.573 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000175428973 442061238 /nfs/dbraw/zinc/06/12/38/442061238.db2.gz SRZUBDQABDBRAT-INIZCTEOSA-N 0 0 344.390 1.752 10 0 EDAERN COc1cc(C)cc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 ZINC000162174662 442070348 /nfs/dbraw/zinc/07/03/48/442070348.db2.gz UHKMXOJMTIEWKT-QGZVFWFLSA-N 0 0 341.411 1.899 10 0 EDAERN O=C(c1ccc(N2CCNC2=O)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151550182 442082570 /nfs/dbraw/zinc/08/25/70/442082570.db2.gz MZWLNSFRJCLYEQ-KXBFYZLASA-N 0 0 343.427 1.983 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000120518094 442087211 /nfs/dbraw/zinc/08/72/11/442087211.db2.gz RXMXLPSJGUTEEO-INIZCTEOSA-N 0 0 344.419 1.188 10 0 EDAERN COc1ccc(Br)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000162388325 442089231 /nfs/dbraw/zinc/08/92/31/442089231.db2.gz OXPBESJXGUHGOS-LLVKDONJSA-N 0 0 343.221 1.518 10 0 EDAERN Cc1ccc(CNC(=O)NCC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175711620 442110457 /nfs/dbraw/zinc/11/04/57/442110457.db2.gz OYJPQFLFJNKROT-CQSZACIVSA-N 0 0 342.403 1.037 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)CC(=O)NC1CC1)C(C)C ZINC000120668193 442114617 /nfs/dbraw/zinc/11/46/17/442114617.db2.gz PSGDUSQBLOGNKZ-QGZVFWFLSA-N 0 0 345.443 1.486 10 0 EDAERN CC[C@H](NC(=O)N1CCN(CCOC)[C@H](C)C1)c1nccs1 ZINC000162696630 442116205 /nfs/dbraw/zinc/11/62/05/442116205.db2.gz SCCRYENFUPZEGQ-OLZOCXBDSA-N 0 0 326.466 1.956 10 0 EDAERN COc1c(CN2CCN(CCOc3ccccc3)CC2)c(C)nn1C ZINC000162855691 442127211 /nfs/dbraw/zinc/12/72/11/442127211.db2.gz ATTRTRQWSVGITF-UHFFFAOYSA-N 0 0 344.459 1.934 10 0 EDAERN C[C@H]1CN(C(=O)NCCOCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000175836528 442131727 /nfs/dbraw/zinc/13/17/27/442131727.db2.gz AQZVTJXAWYHUPD-WMZOPIPTSA-N 0 0 347.459 1.565 10 0 EDAERN COC(=O)c1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000126725317 442138137 /nfs/dbraw/zinc/13/81/37/442138137.db2.gz ZBCZASYEGJUHPR-CYBMUJFWSA-N 0 0 328.372 1.617 10 0 EDAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)N[C@@H]1CCCC[C@@H]1CO ZINC000175911478 442144747 /nfs/dbraw/zinc/14/47/47/442144747.db2.gz GAXQBSOTFZGWSI-UKRRQHHQSA-N 0 0 349.431 1.735 10 0 EDAERN COCCN(Cc1ccc(C)o1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000151650799 442100719 /nfs/dbraw/zinc/10/07/19/442100719.db2.gz DHXRQLYITYZHGM-HNNXBMFYSA-N 0 0 325.409 1.077 10 0 EDAERN COc1cccc(CCNC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000175658541 442100758 /nfs/dbraw/zinc/10/07/58/442100758.db2.gz NEJMLGJVZMBBOH-OAHLLOKOSA-N 0 0 329.404 1.972 10 0 EDAERN COCc1ccccc1CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175665231 442101977 /nfs/dbraw/zinc/10/19/77/442101977.db2.gz OHJQYELCCDNKBP-YJBOKZPZSA-N 0 0 347.459 1.695 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)nc2)C[C@@H]1CC ZINC000120602270 442102370 /nfs/dbraw/zinc/10/23/70/442102370.db2.gz PQXOYOFJUWLTTD-INIZCTEOSA-N 0 0 348.447 1.288 10 0 EDAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000151683162 442105883 /nfs/dbraw/zinc/10/58/83/442105883.db2.gz BVFLZPLGRQWTLJ-INIZCTEOSA-N 0 0 349.479 2.000 10 0 EDAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000176054172 442167546 /nfs/dbraw/zinc/16/75/46/442167546.db2.gz IVLGRXURVGOGNW-UHFFFAOYSA-N 0 0 343.387 1.466 10 0 EDAERN CNC(=O)c1cccc(CCNC(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000176103643 442176150 /nfs/dbraw/zinc/17/61/50/442176150.db2.gz WZBOYWJCMJIFAD-JKSUJKDBSA-N 0 0 333.432 1.439 10 0 EDAERN Cc1cc2cc(NC(=O)C(=O)N[C@@H]3CCCn4ncnc43)ccc2[nH]1 ZINC000176100699 442176602 /nfs/dbraw/zinc/17/66/02/442176602.db2.gz KHECKVFJQMEOTJ-CQSZACIVSA-N 0 0 338.371 1.658 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000176151845 442182136 /nfs/dbraw/zinc/18/21/36/442182136.db2.gz IKQKSJZNIKZRBZ-KRWDZBQOSA-N 0 0 347.463 1.624 10 0 EDAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000176153644 442183649 /nfs/dbraw/zinc/18/36/49/442183649.db2.gz GCXAIMLUQFRYTO-SJORKVTESA-N 0 0 335.423 1.237 10 0 EDAERN CC(C)c1nc([C@H]2CCCN2C(=O)C(=O)Nc2ccnn2C)no1 ZINC000127300198 442191404 /nfs/dbraw/zinc/19/14/04/442191404.db2.gz AZWYVGIAEFNDSA-SNVBAGLBSA-N 0 0 332.364 1.229 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 ZINC000164327137 442195174 /nfs/dbraw/zinc/19/51/74/442195174.db2.gz PGBAWOLTRLKJEU-HNNXBMFYSA-N 0 0 341.415 1.525 10 0 EDAERN C[C@@H](CNC(=O)N1CCO[C@](C)(c2ccccc2)C1)N1CCOCC1 ZINC000164356646 442195365 /nfs/dbraw/zinc/19/53/65/442195365.db2.gz NUDQZHHJLAWVNZ-LPHOPBHVSA-N 0 0 347.459 1.664 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000121290752 442200151 /nfs/dbraw/zinc/20/01/51/442200151.db2.gz XZPLSYZYFYTETJ-INIZCTEOSA-N 0 0 331.416 1.876 10 0 EDAERN O=C(CC1CCCCC1)NCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127423734 442201721 /nfs/dbraw/zinc/20/17/21/442201721.db2.gz UIVIORQPJCWPJO-MRXNPFEDSA-N 0 0 347.463 1.603 10 0 EDAERN CCCn1ccc2cc(NC(=O)C(=O)N3CCC[C@H]3CO)ccc21 ZINC000120911527 442151186 /nfs/dbraw/zinc/15/11/86/442151186.db2.gz AEMNQDRURLXPCW-HNNXBMFYSA-N 0 0 329.400 1.973 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)CCOc2cccc(C(N)=O)c2)cn1 ZINC000175990294 442158196 /nfs/dbraw/zinc/15/81/96/442158196.db2.gz QHYKZLQFMPJHLB-MRXNPFEDSA-N 0 0 342.399 1.652 10 0 EDAERN O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1CCC[C@H]1CO ZINC000120985500 442161656 /nfs/dbraw/zinc/16/16/56/442161656.db2.gz ORAGVSXSJADKCV-JTQLQIEISA-N 0 0 346.305 1.391 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc2c1oc(=O)n2C ZINC000127631716 442216743 /nfs/dbraw/zinc/21/67/43/442216743.db2.gz XOIFNFAVHBPEQL-LLVKDONJSA-N 0 0 327.344 1.296 10 0 EDAERN COC(=O)C1(C(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000127683778 442219817 /nfs/dbraw/zinc/21/98/17/442219817.db2.gz LYTWMCXNLLFGMH-UHFFFAOYSA-N 0 0 343.383 1.738 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccc(Cl)cc1 ZINC000176435573 442221153 /nfs/dbraw/zinc/22/11/53/442221153.db2.gz ZVELIHOJSNNXOR-IUODEOHRSA-N 0 0 341.839 1.737 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000152548663 442224386 /nfs/dbraw/zinc/22/43/86/442224386.db2.gz ULRAIJICORGBEA-CHWSQXEVSA-N 0 0 328.372 1.188 10 0 EDAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NCc1ccccc1F ZINC000152569697 442227152 /nfs/dbraw/zinc/22/71/52/442227152.db2.gz FVYHGJSSEMSPDP-MRXNPFEDSA-N 0 0 329.375 1.990 10 0 EDAERN CN(C(=O)Cc1cccc(O)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000127817459 442227225 /nfs/dbraw/zinc/22/72/25/442227225.db2.gz QOYXGHPMJXYEFV-OAHLLOKOSA-N 0 0 326.400 1.852 10 0 EDAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1C ZINC000127840488 442228568 /nfs/dbraw/zinc/22/85/68/442228568.db2.gz CSFPDDOTIKJSBH-AWEZNQCLSA-N 0 0 329.404 1.978 10 0 EDAERN COc1ccc(CN(C)C2=NS(=O)(=O)c3ccccc32)cc1O ZINC000128035627 442241293 /nfs/dbraw/zinc/24/12/93/442241293.db2.gz WODSMQZDBPJQIL-UHFFFAOYSA-N 0 0 332.381 1.982 10 0 EDAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000170655681 442243127 /nfs/dbraw/zinc/24/31/27/442243127.db2.gz OOEQRDUFNPOHRF-WDEREUQCSA-N 0 0 332.447 1.671 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 ZINC000176824036 442261109 /nfs/dbraw/zinc/26/11/09/442261109.db2.gz YTZLWHBRDIVXMS-NSHDSACASA-N 0 0 327.450 1.109 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000170823347 442269232 /nfs/dbraw/zinc/26/92/32/442269232.db2.gz FAKNZXCTMNBDAV-XCBNKYQSSA-N 0 0 330.793 1.207 10 0 EDAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1(C)C ZINC000153288687 442273131 /nfs/dbraw/zinc/27/31/31/442273131.db2.gz BNVWAGIBUGEPHZ-HRCADAONSA-N 0 0 333.432 1.670 10 0 EDAERN CCOCCOc1ccc(Cl)cc1NC(=O)[C@H]1CNC(=O)C1 ZINC000170845638 442274412 /nfs/dbraw/zinc/27/44/12/442274412.db2.gz QQASIISGSHJACK-SNVBAGLBSA-N 0 0 326.780 1.830 10 0 EDAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000176991065 442281557 /nfs/dbraw/zinc/28/15/57/442281557.db2.gz HIYNWOLBLIZQKE-BBRMVZONSA-N 0 0 342.436 1.308 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CCO4)CCO2)[nH]1 ZINC000177002753 442283425 /nfs/dbraw/zinc/28/34/25/442283425.db2.gz JXHKIYUHHGUROI-AWEZNQCLSA-N 0 0 329.360 1.653 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CNc1ccccc1)CC2 ZINC000128765146 442286699 /nfs/dbraw/zinc/28/66/99/442286699.db2.gz RHOVCCIYIXARIN-DZGCQCFKSA-N 0 0 342.447 1.955 10 0 EDAERN C[C@H](NC(=O)NC[C@@H](O)C1CCCCC1)c1nnc2n1CCCC2 ZINC000153521745 442287552 /nfs/dbraw/zinc/28/75/52/442287552.db2.gz KTOSRWJIPXTRQS-GXTWGEPZSA-N 0 0 335.452 1.916 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2sccc2Br)C1 ZINC000170923581 442289404 /nfs/dbraw/zinc/28/94/04/442289404.db2.gz BGTPGLIONSZRCV-VIFPVBQESA-N 0 0 348.266 1.640 10 0 EDAERN COCc1cc(CNC(=O)[C@H](NC(=O)OC)C(C)C)ccc1F ZINC000170992361 442296815 /nfs/dbraw/zinc/29/68/15/442296815.db2.gz HOLPLRWLGGGUHW-CQSZACIVSA-N 0 0 326.368 1.969 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000129118006 442301737 /nfs/dbraw/zinc/30/17/37/442301737.db2.gz BHYCIMYVVRLYFP-QGZVFWFLSA-N 0 0 343.431 1.793 10 0 EDAERN Cc1n[nH]cc1CCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177297831 442325867 /nfs/dbraw/zinc/32/58/67/442325867.db2.gz HYYADCIGWZPCKW-XJKSGUPXSA-N 0 0 335.452 1.013 10 0 EDAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(-c2ccccc2C)nn1CCO ZINC000171230352 442331655 /nfs/dbraw/zinc/33/16/55/442331655.db2.gz REETWLWFWQVARH-KBPBESRZSA-N 0 0 343.383 1.598 10 0 EDAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(c2ccccc2)CC1 ZINC000177367703 442332504 /nfs/dbraw/zinc/33/25/04/442332504.db2.gz DHSPLRJMENOKSI-OAHLLOKOSA-N 0 0 326.404 1.645 10 0 EDAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000171243199 442332627 /nfs/dbraw/zinc/33/26/27/442332627.db2.gz QMEFNCZDYODWLF-NSHDSACASA-N 0 0 329.393 1.929 10 0 EDAERN Cn1ccc2ccc(NC(=O)C(=O)N3CCN4CCCC[C@H]4C3)cc21 ZINC000177393900 442336300 /nfs/dbraw/zinc/33/63/00/442336300.db2.gz SUBREYAAXMGZFL-INIZCTEOSA-N 0 0 340.427 1.814 10 0 EDAERN O=C(Cc1nc(CSC[C@H](O)CO)cs1)Nc1ccccc1 ZINC000177421226 442339256 /nfs/dbraw/zinc/33/92/56/442339256.db2.gz ULVGKPXUJZVILM-CYBMUJFWSA-N 0 0 338.454 1.911 10 0 EDAERN Cc1cc(NC(=O)CSC[C@H](O)CO)n(-c2ccccc2F)n1 ZINC000177427640 442340794 /nfs/dbraw/zinc/34/07/94/442340794.db2.gz KZFRXJOMLMMCLJ-LLVKDONJSA-N 0 0 339.392 1.345 10 0 EDAERN CCOC(=O)CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000130270730 442342483 /nfs/dbraw/zinc/34/24/83/442342483.db2.gz IBTQDOMNHOUURG-UONOGXRCSA-N 0 0 349.435 1.878 10 0 EDAERN CC(=O)NCCNC(=O)CCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000129219437 442307111 /nfs/dbraw/zinc/30/71/11/442307111.db2.gz MINXKACCPCIHEA-HNNXBMFYSA-N 0 0 349.431 1.674 10 0 EDAERN COc1ccc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000177229627 442316823 /nfs/dbraw/zinc/31/68/23/442316823.db2.gz BPIAVAMNXQNTEB-PBHICJAKSA-N 0 0 333.432 1.557 10 0 EDAERN Cc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177636076 442365636 /nfs/dbraw/zinc/36/56/36/442365636.db2.gz YSVRDIVLWZSYJF-SNVBAGLBSA-N 0 0 333.779 1.310 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cnccc2C)C1 ZINC000177661306 442367635 /nfs/dbraw/zinc/36/76/35/442367635.db2.gz RWHKMIXZDCDZAT-CQSZACIVSA-N 0 0 341.415 1.951 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000177722841 442376045 /nfs/dbraw/zinc/37/60/45/442376045.db2.gz KRABWOWIKUMRMH-UKRRQHHQSA-N 0 0 343.362 1.870 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000131666549 442377475 /nfs/dbraw/zinc/37/74/75/442377475.db2.gz YWWIPUWIRCYSTC-ZDUSSCGKSA-N 0 0 347.337 1.520 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nnnn3C(C)C)C2)nc1 ZINC000177742426 442378139 /nfs/dbraw/zinc/37/81/39/442378139.db2.gz BOPOSMXJYMDNCR-AWEZNQCLSA-N 0 0 343.435 1.808 10 0 EDAERN CCCC(O)(CCC)CC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000155447316 442399210 /nfs/dbraw/zinc/39/92/10/442399210.db2.gz OCHBRKXRVRZEKD-CYBMUJFWSA-N 0 0 325.409 1.999 10 0 EDAERN O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1cc(F)cc(F)c1 ZINC000171602351 442361820 /nfs/dbraw/zinc/36/18/20/442361820.db2.gz RYIFSLBRXZZPIQ-GFCCVEGCSA-N 0 0 335.358 1.907 10 0 EDAERN CC(=O)N[C@H]1CCCN(CN2C(=O)OC[C@@H]2Cc2ccccc2)C1 ZINC000131061090 442363950 /nfs/dbraw/zinc/36/39/50/442363950.db2.gz RVXLWGUECIPOJU-IRXDYDNUSA-N 0 0 331.416 1.608 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccccc2Cl)CC1 ZINC000155535200 442406068 /nfs/dbraw/zinc/40/60/68/442406068.db2.gz VAKNKOZWEZZPCZ-AWEZNQCLSA-N 0 0 325.840 1.938 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000155634179 442414868 /nfs/dbraw/zinc/41/48/68/442414868.db2.gz XRTWKEHSSPLDHP-CYBMUJFWSA-N 0 0 329.404 1.623 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000155630091 442414900 /nfs/dbraw/zinc/41/49/00/442414900.db2.gz HXEHNLNZUUQDMB-LLVKDONJSA-N 0 0 328.727 1.582 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCCN3CCOCC3(C)C)C2)cn1 ZINC000172184247 442420474 /nfs/dbraw/zinc/42/04/74/442420474.db2.gz HMOZBHJFVIPAQR-CQSZACIVSA-N 0 0 335.452 1.030 10 0 EDAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCCC[C@H]1c1nccs1 ZINC000178295840 442422498 /nfs/dbraw/zinc/42/24/98/442422498.db2.gz UZHYQJONUSHUEH-YPMHNXCESA-N 0 0 345.428 1.973 10 0 EDAERN CNC(=O)[C@H](NC(=O)NC1CCN(c2ccccn2)CC1)C(C)C ZINC000178407533 442430591 /nfs/dbraw/zinc/43/05/91/442430591.db2.gz WXYXTRFAUVADFU-OAHLLOKOSA-N 0 0 333.436 1.120 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2ccccc2F)C[C@H]1C ZINC000172262512 442432337 /nfs/dbraw/zinc/43/23/37/442432337.db2.gz AJZZTTWZQKCVHT-CYBMUJFWSA-N 0 0 330.425 1.308 10 0 EDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cccc(C)c1)CC2 ZINC000172262210 442432363 /nfs/dbraw/zinc/43/23/63/442432363.db2.gz XQXRTJMQFASBLD-CQSZACIVSA-N 0 0 334.445 1.583 10 0 EDAERN COCCN1CCN(S(=O)(=O)Cc2cccc(C)c2)C[C@H]1C ZINC000172262829 442432487 /nfs/dbraw/zinc/43/24/87/442432487.db2.gz WJXQDARMNKQAGC-OAHLLOKOSA-N 0 0 326.462 1.477 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cc1cccc(Br)c1)C(C)C ZINC000178676482 442455387 /nfs/dbraw/zinc/45/53/87/442455387.db2.gz YOPCFJGJLAJMLM-CYBMUJFWSA-N 0 0 327.222 1.878 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000178683018 442456034 /nfs/dbraw/zinc/45/60/34/442456034.db2.gz OCIOWXUGWCBLBV-CHWSQXEVSA-N 0 0 325.453 1.158 10 0 EDAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000172565576 442492722 /nfs/dbraw/zinc/49/27/22/442492722.db2.gz YOJMPHHTDKGUHU-JLLWLGSASA-N 0 0 329.368 1.714 10 0 EDAERN O=C(NCc1cc(Cl)cc2c1OCC2)N[C@@H]1CCc2ncnn2C1 ZINC000186253387 442496913 /nfs/dbraw/zinc/49/69/13/442496913.db2.gz MXDFDQPCXFISOJ-CYBMUJFWSA-N 0 0 347.806 1.681 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cccc(C(=O)NC)c3)CCO2)cn1 ZINC000191721506 442498506 /nfs/dbraw/zinc/49/85/06/442498506.db2.gz HQRNTCCCDGUIKE-MRXNPFEDSA-N 0 0 342.399 1.476 10 0 EDAERN CC(=O)NC1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000191732034 442500507 /nfs/dbraw/zinc/50/05/07/442500507.db2.gz VMKIKAHQYVSJLZ-INIZCTEOSA-N 0 0 337.423 1.976 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172434678 442460783 /nfs/dbraw/zinc/46/07/83/442460783.db2.gz OYLKZLNUTUHWNZ-OBJOEFQTSA-N 0 0 332.404 1.357 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000191554186 442463121 /nfs/dbraw/zinc/46/31/21/442463121.db2.gz AIMCFCYJRLLVHP-CYBMUJFWSA-N 0 0 341.415 1.507 10 0 EDAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC000191571871 442467261 /nfs/dbraw/zinc/46/72/61/442467261.db2.gz JEDJDPYJNXVFPN-KBPBESRZSA-N 0 0 344.411 1.994 10 0 EDAERN Cc1nc(-c2ccccc2)ncc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000156330686 442468995 /nfs/dbraw/zinc/46/89/95/442468995.db2.gz FZZDYCRLWODLSY-HNNXBMFYSA-N 0 0 326.400 1.512 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CCCc4n[nH]cc43)CCO2)c1 ZINC000134336607 442471107 /nfs/dbraw/zinc/47/11/07/442471107.db2.gz BPUJOBINKFDHEW-UONOGXRCSA-N 0 0 329.404 1.262 10 0 EDAERN CC(C)[C@@H](O)CC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000156389750 442475503 /nfs/dbraw/zinc/47/55/03/442475503.db2.gz MFQAWSGRYHYBPU-GUYCJALGSA-N 0 0 348.443 1.928 10 0 EDAERN CCOC(=O)c1nn(C)cc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000186207181 442485481 /nfs/dbraw/zinc/48/54/81/442485481.db2.gz FJJBGGYPYGSCSN-AWEZNQCLSA-N 0 0 343.431 1.926 10 0 EDAERN CCCc1cc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)n(C)n1 ZINC000179659885 442485603 /nfs/dbraw/zinc/48/56/03/442485603.db2.gz ABFPHBCNIMHFES-GFCCVEGCSA-N 0 0 333.396 1.405 10 0 EDAERN COCCOc1ccccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172767970 442539093 /nfs/dbraw/zinc/53/90/93/442539093.db2.gz WUKPGHVLHFOCNY-HNNXBMFYSA-N 0 0 334.416 1.259 10 0 EDAERN CSc1ncc(Cl)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000172766803 442539257 /nfs/dbraw/zinc/53/92/57/442539257.db2.gz DASKKOUSVNSXDH-SNVBAGLBSA-N 0 0 342.852 1.399 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)CCC(C)C)C12CCOCC2 ZINC000186465052 442540065 /nfs/dbraw/zinc/54/00/65/442540065.db2.gz VKWNHDAYTPGVLR-HUUCEWRRSA-N 0 0 340.464 1.629 10 0 EDAERN O=C(Nc1c(F)cc(Cl)cc1F)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180125223 442545553 /nfs/dbraw/zinc/54/55/53/442545553.db2.gz LTZHAHMBOOUVDE-SNVBAGLBSA-N 0 0 343.761 1.863 10 0 EDAERN COc1cc(F)c(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1F ZINC000157112510 442550077 /nfs/dbraw/zinc/55/00/77/442550077.db2.gz VGCZLCAVKVDWIS-PRHODGIISA-N 0 0 328.315 1.596 10 0 EDAERN CSCc1ccccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000186350661 442517296 /nfs/dbraw/zinc/51/72/96/442517296.db2.gz WPZBQQAKUQBGOR-LBPRGKRZSA-N 0 0 345.428 1.211 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H](CC)CSC)CCO2)[nH]1 ZINC000179976316 442524821 /nfs/dbraw/zinc/52/48/21/442524821.db2.gz OGPUEQKKSVACID-WDEREUQCSA-N 0 0 327.454 1.592 10 0 EDAERN CS(=O)(=O)NCCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134823614 442525459 /nfs/dbraw/zinc/52/54/59/442525459.db2.gz HPFNCNWWWGCAPI-AWEZNQCLSA-N 0 0 328.409 1.412 10 0 EDAERN CC(C)c1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1-c1ccccc1 ZINC000180277202 442572335 /nfs/dbraw/zinc/57/23/35/442572335.db2.gz WJSWUENUOQUBBE-MRXNPFEDSA-N 0 0 342.399 1.322 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000172967191 442574820 /nfs/dbraw/zinc/57/48/20/442574820.db2.gz VPPVLBADLMFJGN-UKRRQHHQSA-N 0 0 340.445 1.132 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000179117084 442576062 /nfs/dbraw/zinc/57/60/62/442576062.db2.gz HIKQVCZZLVGWQR-CYBMUJFWSA-N 0 0 326.418 1.586 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000179117097 442576208 /nfs/dbraw/zinc/57/62/08/442576208.db2.gz HIKQVCZZLVGWQR-ZDUSSCGKSA-N 0 0 326.418 1.586 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000179183733 442591887 /nfs/dbraw/zinc/59/18/87/442591887.db2.gz XGMNPKRWTMLXPH-AWEZNQCLSA-N 0 0 342.461 1.668 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@H]1c1ccc(F)cc1 ZINC000135414470 442593248 /nfs/dbraw/zinc/59/32/48/442593248.db2.gz OCEWHENWVYJMFH-CKEIUWERSA-N 0 0 347.390 1.082 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)C1 ZINC000180429716 442601365 /nfs/dbraw/zinc/60/13/65/442601365.db2.gz OKHBZJOJTKFTPZ-LBPRGKRZSA-N 0 0 342.403 1.011 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)C1 ZINC000180429735 442601466 /nfs/dbraw/zinc/60/14/66/442601466.db2.gz OKHBZJOJTKFTPZ-GFCCVEGCSA-N 0 0 342.403 1.011 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(-n3cccn3)n2)C[C@H]1C ZINC000135550772 442609580 /nfs/dbraw/zinc/60/95/80/442609580.db2.gz SKFDLPPJNVCWMC-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN COc1ccc(F)cc1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000186559489 442562018 /nfs/dbraw/zinc/56/20/18/442562018.db2.gz WITRAGYLPJHUIO-XJKSGUPXSA-N 0 0 336.407 1.556 10 0 EDAERN Cc1nccc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000157229033 442563040 /nfs/dbraw/zinc/56/30/40/442563040.db2.gz NSVSCICEMQDCBE-CYBMUJFWSA-N 0 0 329.408 1.314 10 0 EDAERN O=C(C[NH+]1CCC(Nc2cccnn2)CC1)[N-]OCc1ccccc1 ZINC000180476055 442607929 /nfs/dbraw/zinc/60/79/29/442607929.db2.gz FEBHBRFTAWUXFY-UHFFFAOYSA-N 0 0 341.415 1.601 10 0 EDAERN Cc1cc(F)cc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000180249330 442565779 /nfs/dbraw/zinc/56/57/79/442565779.db2.gz XEZGVVUNSXLHKE-BBRMVZONSA-N 0 0 349.406 1.252 10 0 EDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(-c2cnco2)c1)C(C)C ZINC000179081884 442568191 /nfs/dbraw/zinc/56/81/91/442568191.db2.gz ZWFGRLCQTNFYDM-CQSZACIVSA-N 0 0 344.371 1.167 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1CC)CC2 ZINC000187001633 442643090 /nfs/dbraw/zinc/64/30/90/442643090.db2.gz PFMBMOAPGMHSFQ-ZDUSSCGKSA-N 0 0 334.445 1.696 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)CCc2cnn(C)c2C)C12CCOCC2 ZINC000187146838 442656521 /nfs/dbraw/zinc/65/65/21/442656521.db2.gz IHRUTIVGSDIJAI-JKSUJKDBSA-N 0 0 335.448 1.752 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccc(Cl)nc1)CC2 ZINC000135609674 442617616 /nfs/dbraw/zinc/61/76/16/442617616.db2.gz XPZRTBJRTMOCAD-LBPRGKRZSA-N 0 0 348.838 1.746 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)Nc2cccnc2N2CCCC2)C[C@H]1C ZINC000173236924 442629819 /nfs/dbraw/zinc/62/98/19/442629819.db2.gz UZAOWZNJJLTDGH-HUUCEWRRSA-N 0 0 347.463 1.601 10 0 EDAERN CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C1 ZINC000181046984 442677776 /nfs/dbraw/zinc/67/77/76/442677776.db2.gz XLBYPKOACWXUSF-CYBMUJFWSA-N 0 0 344.415 1.801 10 0 EDAERN CNS(=O)(=O)c1ccc([C@@H](C)NCc2nnnn2C(C)C)cc1 ZINC000181053185 442678364 /nfs/dbraw/zinc/67/83/64/442678364.db2.gz XSIHQZODUXXCKW-LLVKDONJSA-N 0 0 338.437 1.013 10 0 EDAERN O=C(CCOC[C@@H]1CCCO1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187748774 442690426 /nfs/dbraw/zinc/69/04/26/442690426.db2.gz NEJOHMUUXHNMRI-PMPSAXMXSA-N 0 0 339.457 1.868 10 0 EDAERN CNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000181370849 442692939 /nfs/dbraw/zinc/69/29/39/442692939.db2.gz PHRDKWMGLQCOCM-ZDUSSCGKSA-N 0 0 349.416 1.080 10 0 EDAERN Cc1ccc(F)c(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000136392651 442661931 /nfs/dbraw/zinc/66/19/31/442661931.db2.gz FZKGZFYORFEIKI-UHFFFAOYSA-N 0 0 340.362 1.534 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1-n1cnnn1 ZINC000180856487 442665336 /nfs/dbraw/zinc/66/53/36/442665336.db2.gz HHLWVCFMMVSINL-CYBMUJFWSA-N 0 0 337.339 1.534 10 0 EDAERN Cc1ccn(CC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(=O)c1 ZINC000192590521 442666523 /nfs/dbraw/zinc/66/65/23/442666523.db2.gz IQROXZMYNOOBIY-GJZGRUSLSA-N 0 0 332.425 1.453 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180975608 442673083 /nfs/dbraw/zinc/67/30/83/442673083.db2.gz HPZJUWITQORRAX-LLVKDONJSA-N 0 0 341.824 1.427 10 0 EDAERN COC1(CNC(=O)N2CCN(Cc3cnc(C)s3)CC2)CCC1 ZINC000181790801 442716654 /nfs/dbraw/zinc/71/66/54/442716654.db2.gz PAIUGQZATFPQID-UHFFFAOYSA-N 0 0 338.477 1.848 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000193192023 442721462 /nfs/dbraw/zinc/72/14/62/442721462.db2.gz KMMUEECHGAIMIE-CQSZACIVSA-N 0 0 327.388 1.734 10 0 EDAERN COCCN1CCN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1=O ZINC000181939352 442722409 /nfs/dbraw/zinc/72/24/09/442722409.db2.gz YXPJHTFYXLDMNZ-KSSFIOAISA-N 0 0 345.443 1.729 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccncc2)ncn1 ZINC000182061060 442732367 /nfs/dbraw/zinc/73/23/67/442732367.db2.gz YLMYHAZSXOLRPA-CQSZACIVSA-N 0 0 326.404 1.241 10 0 EDAERN CCCCOC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000193364327 442736248 /nfs/dbraw/zinc/73/62/48/442736248.db2.gz KWUUQRQEWONBFU-WMLDXEAASA-N 0 0 338.379 1.770 10 0 EDAERN CCCCOC[C@H](O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000193361917 442736261 /nfs/dbraw/zinc/73/62/61/442736261.db2.gz KEUSKPXVEAMCJO-CVEARBPZSA-N 0 0 334.416 1.717 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccncc3C)CCO2)[nH]1 ZINC000188315042 442737945 /nfs/dbraw/zinc/73/79/45/442737945.db2.gz VNYJTZNZHFUQIR-ZDUSSCGKSA-N 0 0 330.392 1.354 10 0 EDAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000193388921 442738515 /nfs/dbraw/zinc/73/85/15/442738515.db2.gz ZUWGFWQXPDVIQA-CYBMUJFWSA-N 0 0 328.376 1.092 10 0 EDAERN CN(C[C@H](c1cccs1)N1CCOCC1)C[C@H](O)C(F)(F)F ZINC000181691107 442710152 /nfs/dbraw/zinc/71/01/52/442710152.db2.gz GBGSICQMSGWUMK-YPMHNXCESA-N 0 0 338.395 1.976 10 0 EDAERN CCCCOCCNC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188098289 442711520 /nfs/dbraw/zinc/71/15/20/442711520.db2.gz FHKWCQLJCKCERX-HOTGVXAUSA-N 0 0 340.489 1.689 10 0 EDAERN CCc1nc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)sc1C ZINC000193096069 442712957 /nfs/dbraw/zinc/71/29/57/442712957.db2.gz MFZZEFWQFXONSG-GFCCVEGCSA-N 0 0 336.461 1.649 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](O)C1CCCCC1)CC2 ZINC000181754886 442714791 /nfs/dbraw/zinc/71/47/91/442714791.db2.gz ANIYSWGWAVCFBU-CABCVRRESA-N 0 0 349.479 1.957 10 0 EDAERN Cn1cc(N2CCC[C@@H](N3CC[C@@H](Oc4cccnc4)C3)C2=O)cn1 ZINC000246685138 442802314 /nfs/dbraw/zinc/80/23/14/442802314.db2.gz MQCWGTTXKBWWGM-IAGOWNOFSA-N 0 0 341.415 1.464 10 0 EDAERN CCOc1ccnc(N2CCN(C(=O)c3cccc(O)c3)CC2)n1 ZINC000182389918 442762753 /nfs/dbraw/zinc/76/27/53/442762753.db2.gz TTXSOYYTYLMIPM-UHFFFAOYSA-N 0 0 328.372 1.543 10 0 EDAERN CCOc1cc(/C=C/C(=O)N2CCN(CCOC)[C@@H](C)C2)ccc1O ZINC000182464661 442771480 /nfs/dbraw/zinc/77/14/80/442771480.db2.gz FKJWQBXYJNFRLW-VFADXPBXSA-N 0 0 348.443 1.983 10 0 EDAERN COC(=O)CC1(CC(=O)NC[C@H](C)N2CCOCC2)CCCC1 ZINC000188933023 442844547 /nfs/dbraw/zinc/84/45/47/442844547.db2.gz RSPBTLJFVOOBBU-AWEZNQCLSA-N 0 0 326.437 1.337 10 0 EDAERN C[C@@H](CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)N1CCOCC1 ZINC000194141165 442850472 /nfs/dbraw/zinc/85/04/72/442850472.db2.gz VDJXKULZONYKHE-STQMWFEESA-N 0 0 337.386 1.098 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCCCn2ccnn2)[C@H]1c1ccc(F)cc1 ZINC000182975383 442858324 /nfs/dbraw/zinc/85/83/24/442858324.db2.gz LDTSZKDDHBRTPI-GOEBONIOSA-N 0 0 345.378 1.143 10 0 EDAERN O=S(=O)(c1cccnc1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000183192381 442899882 /nfs/dbraw/zinc/89/98/82/442899882.db2.gz IJMWDWRFWGUDNW-AWEZNQCLSA-N 0 0 347.444 1.925 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000183110354 442881213 /nfs/dbraw/zinc/88/12/13/442881213.db2.gz QLRMSMREOZAGOF-NSHDSACASA-N 0 0 332.400 1.912 10 0 EDAERN CON(Cc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000183117744 442882833 /nfs/dbraw/zinc/88/28/33/442882833.db2.gz MJINIOAWVWALMQ-HNNXBMFYSA-N 0 0 340.379 1.707 10 0 EDAERN Cc1ccccc1CN1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000183136087 442886652 /nfs/dbraw/zinc/88/66/52/442886652.db2.gz NOCOXLPSPTZWPQ-MJGOQNOKSA-N 0 0 345.487 1.796 10 0 EDAERN O=C(Nc1ccncn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000194160071 442854538 /nfs/dbraw/zinc/85/45/38/442854538.db2.gz ROSGOMIKHYPJEQ-HNNXBMFYSA-N 0 0 327.388 1.360 10 0 EDAERN COCCN1CCN(C(=O)NC[C@H](C)c2ncc(C)s2)C[C@H]1C ZINC000183205432 442902973 /nfs/dbraw/zinc/90/29/73/442902973.db2.gz JSGBKLKUURDYKF-QWHCGFSZSA-N 0 0 340.493 1.917 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000189294924 442914031 /nfs/dbraw/zinc/91/40/31/442914031.db2.gz IQVXUDIEDNQSBO-SNVBAGLBSA-N 0 0 327.331 1.437 10 0 EDAERN COc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)nc1Br ZINC000183290439 442917590 /nfs/dbraw/zinc/91/75/90/442917590.db2.gz WEYULOXRVKQVCH-WCBMZHEXSA-N 0 0 329.194 1.886 10 0 EDAERN Cc1c(NC(=O)C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cnn1C ZINC000182791714 318512922 /nfs/dbraw/zinc/51/29/22/318512922.db2.gz SIGCKPODLIYFMJ-UHFFFAOYSA-N 0 0 344.419 1.109 10 0 EDAERN CCOCc1ccc(CNC(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189327821 442922446 /nfs/dbraw/zinc/92/24/46/442922446.db2.gz QWTSHKRNPLFTJW-CQSZACIVSA-N 0 0 333.432 1.050 10 0 EDAERN CN1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000194611340 442923620 /nfs/dbraw/zinc/92/36/20/442923620.db2.gz GADVNJWQJWTPQF-NSHDSACASA-N 0 0 334.807 1.791 10 0 EDAERN COCc1cccc(CC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000189456404 442958097 /nfs/dbraw/zinc/95/80/97/442958097.db2.gz BTSMVYNOIWQCBI-GOSISDBHSA-N 0 0 343.427 1.808 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)C(C)(C)C ZINC000249245833 442961775 /nfs/dbraw/zinc/96/17/75/442961775.db2.gz UIIGWZMOSZBEEC-IHRRRGAJSA-N 0 0 338.448 1.872 10 0 EDAERN COc1ccccc1CN(C(=O)NCC(=O)NCC1CC1)C1CC1 ZINC000183776401 442962870 /nfs/dbraw/zinc/96/28/70/442962870.db2.gz QVLZOSXHOVBQCK-UHFFFAOYSA-N 0 0 331.416 1.895 10 0 EDAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCC(=O)NCC2CC2)C12CCCC2 ZINC000183797245 442965570 /nfs/dbraw/zinc/96/55/70/442965570.db2.gz FQUDHKFEFFTLME-HUUCEWRRSA-N 0 0 337.464 1.892 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2ncc(C)s2)C1 ZINC000192383506 318577483 /nfs/dbraw/zinc/57/74/83/318577483.db2.gz RPLABPUJUIHHMR-WDEREUQCSA-N 0 0 337.405 1.815 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2cccc(C)n2)C1 ZINC000192371852 318577571 /nfs/dbraw/zinc/57/75/71/318577571.db2.gz RSIYGLXBQPZWNA-UONOGXRCSA-N 0 0 331.376 1.753 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(CC)CC1CC1 ZINC000183967724 442978674 /nfs/dbraw/zinc/97/86/74/442978674.db2.gz IJBBYNZDGPRLBD-LBPRGKRZSA-N 0 0 327.454 1.242 10 0 EDAERN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000249594783 442992671 /nfs/dbraw/zinc/99/26/71/442992671.db2.gz WNKLWAWVLJQFBK-BBRMVZONSA-N 0 0 345.447 1.489 10 0 EDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc2cccnc21 ZINC000194769269 442951760 /nfs/dbraw/zinc/95/17/60/442951760.db2.gz MYAOPTGDTHCJHG-AWEZNQCLSA-N 0 0 330.388 1.049 10 0 EDAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1C ZINC000184455662 443022795 /nfs/dbraw/zinc/02/27/95/443022795.db2.gz DEKGNWJREPQFME-LDYMZIIASA-N 0 0 328.365 1.082 10 0 EDAERN Cc1cc(C)cc(C(=O)NCc2nccc(N3CCOCC3)n2)c1 ZINC000224170122 443097148 /nfs/dbraw/zinc/09/71/48/443097148.db2.gz CSNVUCPNPPFFGB-UHFFFAOYSA-N 0 0 326.400 1.860 10 0 EDAERN Cc1cccc(OC[C@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000190396183 443100018 /nfs/dbraw/zinc/10/00/18/443100018.db2.gz NAUVOBLYIHGBEL-ZDUSSCGKSA-N 0 0 331.416 1.682 10 0 EDAERN O=c1oc2cccnc2n1CCN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000253395890 443054581 /nfs/dbraw/zinc/05/45/81/443054581.db2.gz IEXHWOQBIGVQQZ-LSDHHAIUSA-N 0 0 343.358 1.937 10 0 EDAERN C[C@H](NC(=O)NCC1(CCO)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000190082734 443054784 /nfs/dbraw/zinc/05/47/84/443054784.db2.gz KWNDAAFQMUFLHA-LBPRGKRZSA-N 0 0 340.445 1.613 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184681078 443058990 /nfs/dbraw/zinc/05/89/90/443058990.db2.gz JPMGDHBHJYFHGO-HNNXBMFYSA-N 0 0 339.399 1.564 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000190168371 443066172 /nfs/dbraw/zinc/06/61/72/443066172.db2.gz YMDJFSJRJLZKIR-WBVHZDCISA-N 0 0 345.443 1.409 10 0 EDAERN CC(=O)NC1CN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)C1 ZINC000190221091 443072600 /nfs/dbraw/zinc/07/26/00/443072600.db2.gz PPNKCKKTQZQBOI-HNNXBMFYSA-N 0 0 330.432 1.494 10 0 EDAERN CCn1cc(C2CCN(S(=O)(=O)N3CCC[C@H]3C)CC2)cn1 ZINC000185003587 443115577 /nfs/dbraw/zinc/11/55/77/443115577.db2.gz BDRXPVPEXBULAW-CYBMUJFWSA-N 0 0 326.466 1.812 10 0 EDAERN NC(=O)CO[C@@H]1CCC12CCN(C(=O)c1cn3ccccc3n1)CC2 ZINC000257174007 443116094 /nfs/dbraw/zinc/11/60/94/443116094.db2.gz BFFUCWVXGRLMCR-CQSZACIVSA-N 0 0 342.399 1.221 10 0 EDAERN Cc1noc([C@@H]2COCCN2CC(=O)N2CCc3ccccc32)n1 ZINC000185070470 443130108 /nfs/dbraw/zinc/13/01/08/443130108.db2.gz YHAQMUAUSNCCII-HNNXBMFYSA-N 0 0 328.372 1.341 10 0 EDAERN COCC(=O)NC1CN(C(=O)CCOc2ccccc2Cl)C1 ZINC000185216519 443163344 /nfs/dbraw/zinc/16/33/44/443163344.db2.gz LMIKOHYRSDIDRR-UHFFFAOYSA-N 0 0 326.780 1.082 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2C)CC1 ZINC000185413563 443196790 /nfs/dbraw/zinc/19/67/90/443196790.db2.gz WHQFNMZTMPYZJS-QGZVFWFLSA-N 0 0 342.443 1.709 10 0 EDAERN Cc1c(Br)scc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000185198291 443159193 /nfs/dbraw/zinc/15/91/93/443159193.db2.gz GSDPERAHDSWZOF-SECBINFHSA-N 0 0 333.251 1.879 10 0 EDAERN COC(=O)COc1ccc([C@@H](C)NCc2nnnn2C(C)C)cc1 ZINC000185700438 443240661 /nfs/dbraw/zinc/24/06/61/443240661.db2.gz DBXMHGOUPQSANZ-GFCCVEGCSA-N 0 0 333.392 1.657 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000191159264 443250535 /nfs/dbraw/zinc/25/05/35/443250535.db2.gz QGWHKPBLVZMMLN-CYBMUJFWSA-N 0 0 327.388 1.292 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCN(C2CC2)c2ccc(F)cc21 ZINC000185763263 443253697 /nfs/dbraw/zinc/25/36/97/443253697.db2.gz KOEYFFGVZOPWJW-HNNXBMFYSA-N 0 0 333.407 1.598 10 0 EDAERN COc1ccc(Cl)cc1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191208549 443259201 /nfs/dbraw/zinc/25/92/01/443259201.db2.gz JTMSLZMUSMWMPN-JTQLQIEISA-N 0 0 325.796 1.769 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCOCCc1ccccc1 ZINC000191221274 443261477 /nfs/dbraw/zinc/26/14/77/443261477.db2.gz XCJDDOIEUJLOPZ-OAHLLOKOSA-N 0 0 333.432 1.556 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)C1 ZINC000185813385 443262814 /nfs/dbraw/zinc/26/28/14/443262814.db2.gz XJMAXCLONILRGZ-FZKQIMNGSA-N 0 0 345.443 1.857 10 0 EDAERN CCOCCC1(CNC(=O)N2CCCNC(=O)[C@@H]2C)CCCC1 ZINC000191481321 443300964 /nfs/dbraw/zinc/30/09/64/443300964.db2.gz DSDFTTYEJYHYSA-AWEZNQCLSA-N 0 0 325.453 1.893 10 0 EDAERN COCCN1CCN(C(=O)/C=C\c2ccc(OC)c(O)c2)C[C@H]1C ZINC000492703527 320383245 /nfs/dbraw/zinc/38/32/45/320383245.db2.gz INYCMTIBKLBKQQ-BRLPQQTGSA-N 0 0 334.416 1.593 10 0 EDAERN COC[C@@H]1C[C@H](OC)CN1C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000560365427 321023234 /nfs/dbraw/zinc/02/32/34/321023234.db2.gz VMKRXPOQTNSOIL-ILXRZTDVSA-N 0 0 334.420 1.088 10 0 EDAERN CN(C)c1ccc(N[C@H]2CCCN(C(=O)Cn3cccn3)CC2)cn1 ZINC000328631543 444403859 /nfs/dbraw/zinc/40/38/59/444403859.db2.gz KPIQZJACJRZKBI-HNNXBMFYSA-N 0 0 342.447 1.837 10 0 EDAERN CC[C@H](SC)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328644039 444411043 /nfs/dbraw/zinc/41/10/43/444411043.db2.gz ROGXIHQHHHZWKK-KKUMJFAQSA-N 0 0 340.468 1.989 10 0 EDAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000372970287 445949534 /nfs/dbraw/zinc/94/95/34/445949534.db2.gz SANIRXWEHPDFFV-SWLSCSKDSA-N 0 0 338.354 1.094 10 0 EDAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1cccnc1OC1CCCC1 ZINC000373087970 446019443 /nfs/dbraw/zinc/01/94/43/446019443.db2.gz PSDZEOPUZJDISS-MRXNPFEDSA-N 0 0 347.415 1.267 10 0 EDAERN COCc1ncc(C)n1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000575547741 447864899 /nfs/dbraw/zinc/86/48/99/447864899.db2.gz UJHMLCHAPOPDLO-AWEZNQCLSA-N 0 0 334.420 1.124 10 0 EDAERN COC(=O)Cc1ccc(I)c([N+](=O)[O-])c1N ZINC000575640618 447879083 /nfs/dbraw/zinc/87/90/83/447879083.db2.gz NPYNXRPBTXBHAS-UHFFFAOYSA-N 0 0 336.085 1.497 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)/C=C\c3cncc(O)c3)CC2)n1 ZINC000492393653 448210430 /nfs/dbraw/zinc/21/04/30/448210430.db2.gz DUYFPIYUTKQFTF-VSQXVHSFSA-N 0 0 343.387 1.397 10 0 EDAERN COC[C@@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC(C)(C)O1 ZINC000583615021 448440411 /nfs/dbraw/zinc/44/04/11/448440411.db2.gz AVLBGEVNMWPEDL-AWEZNQCLSA-N 0 0 348.378 1.672 10 0 EDAERN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000583615135 448440844 /nfs/dbraw/zinc/44/08/44/448440844.db2.gz HDQGWPLLRGBBEE-SCZZXKLOSA-N 0 0 348.325 1.753 10 0 EDAERN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000583616328 448442237 /nfs/dbraw/zinc/44/22/37/448442237.db2.gz VHLKHOPKAWQGLI-PMPSAXMXSA-N 0 0 325.430 1.627 10 0 EDAERN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000583616322 448442622 /nfs/dbraw/zinc/44/26/22/448442622.db2.gz VHLKHOPKAWQGLI-JYJNAYRXSA-N 0 0 325.430 1.627 10 0 EDAERN Cc1cccc(OCC(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583618234 448447674 /nfs/dbraw/zinc/44/76/74/448447674.db2.gz VUYKIMFQVPOFAW-GOSISDBHSA-N 0 0 344.415 1.666 10 0 EDAERN Nc1ccn(C[C@@H]2CS[C@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000584661735 448589687 /nfs/dbraw/zinc/58/96/87/448589687.db2.gz JUMVXIXNCFYNJY-TZMCWYRMSA-N 0 0 347.396 1.383 10 0 EDAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CCC[C@H](O)C1 ZINC000614142162 449478955 /nfs/dbraw/zinc/47/89/55/449478955.db2.gz KHGJALPFKGJWPJ-IUCAKERBSA-N 0 0 345.193 1.192 10 0 EDAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2ccc(Br)cc2F)C1 ZINC000614620378 449716293 /nfs/dbraw/zinc/71/62/93/449716293.db2.gz KRRLSNPUTNGQHR-NWDGAFQWSA-N 0 0 346.196 1.739 10 0 EDAERN CCN1C(=O)C[C@H](C(=O)Nc2c(C)noc2C)[C@H]1c1cnn(C)c1C ZINC000622791086 450304431 /nfs/dbraw/zinc/30/44/31/450304431.db2.gz VXNVVTKFJBGHBY-LRDDRELGSA-N 0 0 345.403 1.882 10 0 EDAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)c(C)o1 ZINC000625480239 450385081 /nfs/dbraw/zinc/38/50/81/450385081.db2.gz WDEQKXASRRBJOP-BXKDBHETSA-N 0 0 341.389 1.739 10 0 EDAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cnn2ncccc12 ZINC000619289462 450446936 /nfs/dbraw/zinc/44/69/36/450446936.db2.gz KKAYGMMRGLBFBI-BLLLJJGKSA-N 0 0 340.387 1.361 10 0 EDAERN CCOC(=O)c1ccccc1[C@H]1CCN(S(C)(=O)=O)CCO1 ZINC000616592523 450453771 /nfs/dbraw/zinc/45/37/71/450453771.db2.gz FKJSFPGCJFBVBQ-CQSZACIVSA-N 0 0 327.402 1.586 10 0 EDAERN CC(=O)Nc1cccc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)c1 ZINC000616586860 450453816 /nfs/dbraw/zinc/45/38/16/450453816.db2.gz XXDMEAHJFUKBMY-INIZCTEOSA-N 0 0 346.412 1.822 10 0 EDAERN CCOC(=O)c1ccccc1[C@@H]1CCOCCN1S(C)(=O)=O ZINC000616660658 450458460 /nfs/dbraw/zinc/45/84/60/450458460.db2.gz VOBTZSPKGWNRDW-AWEZNQCLSA-N 0 0 327.402 1.586 10 0 EDAERN NS(=O)(=O)N1CC[C@@H](c2cccc(CCO)c2)c2ccccc21 ZINC000616676140 450459342 /nfs/dbraw/zinc/45/93/42/450459342.db2.gz IAQKNYGYAZNTNU-HNNXBMFYSA-N 0 0 332.425 1.767 10 0 EDAERN CN(C(=O)OC(C)(C)C)[C@H]1Cc2ccccc2N(S(N)(=O)=O)C1 ZINC000616690370 450460617 /nfs/dbraw/zinc/46/06/17/450460617.db2.gz NULAPZIMGPXMSG-LBPRGKRZSA-N 0 0 341.433 1.488 10 0 EDAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccccc1OCC1CC1 ZINC000616771459 450480604 /nfs/dbraw/zinc/48/06/04/450480604.db2.gz UWLHVELVIXUVPQ-ZMSDIMECSA-N 0 0 327.384 1.776 10 0 EDAERN Cc1ccc(F)c(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(N)n3)C2)c1 ZINC000630720359 451360067 /nfs/dbraw/zinc/36/00/67/451360067.db2.gz FSEMTXJFCTVYOJ-NSHDSACASA-N 0 0 330.363 1.771 10 0 EDAERN Nc1nc([C@H]2CCN(C(=O)Cc3c(F)cccc3F)C2)cc(=O)[nH]1 ZINC000630723633 451363110 /nfs/dbraw/zinc/36/31/10/451363110.db2.gz PMYGCDFPJRKQGK-VIFPVBQESA-N 0 0 334.326 1.601 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)c3cnc4[nH]ccc4c3)C[C@@H](C)O2)n1 ZINC000628859730 451443325 /nfs/dbraw/zinc/44/33/25/451443325.db2.gz UBTJZVDMUJSMQU-NOZJJQNGSA-N 0 0 327.344 1.808 10 0 EDAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cc(Br)ccc1Cl ZINC000629218802 451600692 /nfs/dbraw/zinc/60/06/92/451600692.db2.gz VBLJZKMXRVITGY-MNOVXSKESA-N 0 0 334.597 1.982 10 0 EDAERN CN(C)c1ccc([C@H]2CCCN2C(=O)CNCC(F)(F)F)nn1 ZINC000643903310 452804693 /nfs/dbraw/zinc/80/46/93/452804693.db2.gz MYHBQRMTNIBYEK-LLVKDONJSA-N 0 0 331.342 1.358 10 0 EDAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)CCOc1c(C)cccc1C ZINC000643952097 452860988 /nfs/dbraw/zinc/86/09/88/452860988.db2.gz QWVLVOKECWHUHA-IBGZPJMESA-N 0 0 348.443 1.826 10 0 EDAERN CC(C)(CNC(=O)N1CCOC[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000655057689 453178605 /nfs/dbraw/zinc/17/86/05/453178605.db2.gz CQLALIOVJMGFNQ-AWEZNQCLSA-N 0 0 329.404 1.865 10 0 EDAERN CN(Cc1cccc(O)c1Br)C[C@@H]1CN(C)CCO1 ZINC000656436761 453179162 /nfs/dbraw/zinc/17/91/62/453179162.db2.gz XSUPNIKMYOFSEF-LBPRGKRZSA-N 0 0 329.238 1.917 10 0 EDAERN CC(C)(CNC(=O)N1CCOC[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000655057690 453180185 /nfs/dbraw/zinc/18/01/85/453180185.db2.gz CQLALIOVJMGFNQ-CQSZACIVSA-N 0 0 329.404 1.865 10 0 EDAERN COc1cccc(C2=CCN(C(=O)CN3CCCC[C@@H](O)C3=O)C2)c1 ZINC000644421093 453436191 /nfs/dbraw/zinc/43/61/91/453436191.db2.gz RKSOLSMQDWMRNK-QGZVFWFLSA-N 0 0 344.411 1.294 10 0 EDAERN O=C([O-])[C@H]1CC[C@H](C(=O)NCc2cc(Cl)cc3c2OCC3)C[NH2+]1 ZINC000657215947 453741084 /nfs/dbraw/zinc/74/10/84/453741084.db2.gz SQKJZYSBZIKRHR-GXFFZTMASA-N 0 0 338.791 1.344 10 0 EDAERN COc1ccc(S[C@@H](C)C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189465449 500854346 /nfs/dbraw/zinc/85/43/46/500854346.db2.gz MFFUXPRMTGCLJL-NSHDSACASA-N 0 0 334.441 1.913 10 0 EDAERN Cc1cc(F)ccc1-n1cc(C(=O)N[C@H]2CCCn3ncnc32)nn1 ZINC000179409719 500959511 /nfs/dbraw/zinc/95/95/11/500959511.db2.gz OCXKROUBGOFKFB-LBPRGKRZSA-N 0 0 341.350 1.571 10 0 EDAERN C[C@@H]1CCC[C@H](C)N1NS(=O)(=O)c1cnc(NN)c(Cl)c1 ZINC000148563692 533829069 /nfs/dbraw/zinc/82/90/69/533829069.db2.gz GJCBHEHISSWMTF-DTORHVGOSA-N 0 0 333.845 1.477 10 0 EDAERN C[C@@H](O)[C@H]1CCN(c2cc3c(cc2Br)C(=O)C(=O)N3)C1 ZINC000167814206 533849550 /nfs/dbraw/zinc/84/95/50/533849550.db2.gz GLEBLESKLNPCCB-SFYZADRCSA-N 0 0 339.189 1.791 10 0 EDAERN Cc1c(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cnn1C ZINC000187715466 533856592 /nfs/dbraw/zinc/85/65/92/533856592.db2.gz HMHQMAHWDJANOM-GJZGRUSLSA-N 0 0 334.445 1.708 10 0 EDAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)COCc1ccccc1 ZINC000190408219 533913804 /nfs/dbraw/zinc/91/38/04/533913804.db2.gz GMGJIOLZZFTZTA-AWEZNQCLSA-N 0 0 345.443 1.759 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(C)n1 ZINC000129454600 534037229 /nfs/dbraw/zinc/03/72/29/534037229.db2.gz MYTVZKUQRMJXQS-GFCCVEGCSA-N 0 0 343.387 1.087 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCc1ccc(Cn2cccn2)cc1)C(C)C ZINC000170988648 534139837 /nfs/dbraw/zinc/13/98/37/534139837.db2.gz DJSLOLIHABJKBF-MRXNPFEDSA-N 0 0 344.415 1.928 10 0 EDAERN Cc1noc(C)c1CCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000154840186 534343838 /nfs/dbraw/zinc/34/38/38/534343838.db2.gz PYNAPGSRGXEEDT-UHFFFAOYSA-N 0 0 344.419 1.910 10 0 EDAERN O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1CNC(=O)C1 ZINC000154940968 534462915 /nfs/dbraw/zinc/46/29/15/534462915.db2.gz SYVXGPRAADXAKA-VIFPVBQESA-N 0 0 349.188 1.709 10 0 EDAERN NC(=S)c1ccc(S(=O)(=O)CCN2CCSCC2)cc1 ZINC000163158362 534529242 /nfs/dbraw/zinc/52/92/42/534529242.db2.gz UXUJRVVMXWKSQW-UHFFFAOYSA-N 0 0 330.500 1.143 10 0 EDAERN O=C([O-])c1cc(Br)cc(NC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000166658150 534540906 /nfs/dbraw/zinc/54/09/06/534540906.db2.gz QSUODYMIIKPLFC-LLVKDONJSA-N 0 0 343.177 1.464 10 0 EDAERN O=C([O-])c1cc(Br)cc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000166675069 534541102 /nfs/dbraw/zinc/54/11/02/534541102.db2.gz DWTPWONMIGELGQ-JTQLQIEISA-N 0 0 329.150 1.074 10 0 EDAERN Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154136702 534596887 /nfs/dbraw/zinc/59/68/87/534596887.db2.gz WSXNAHUCTUFLQF-OAHLLOKOSA-N 0 0 345.399 1.073 10 0 EDAERN [NH3+]CCC[C@H]1CCCN1c1nc[n-]c(=O)c1I ZINC000165450463 534622838 /nfs/dbraw/zinc/62/28/38/534622838.db2.gz BMADCGXQTFYGKL-QMMMGPOBSA-N 0 0 348.188 1.082 10 0 EDAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C1 ZINC000186615300 534664299 /nfs/dbraw/zinc/66/42/99/534664299.db2.gz VIEVTAYHUUCECV-NSHDSACASA-N 0 0 339.392 1.596 10 0 EDAERN O=C(CSc1nnc2ccccn21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000183975148 534679047 /nfs/dbraw/zinc/67/90/47/534679047.db2.gz QMBOGRRYLZCASS-GUYCJALGSA-N 0 0 346.456 1.975 10 0 EDAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000153420418 534731822 /nfs/dbraw/zinc/73/18/22/534731822.db2.gz DZQZZCXPBWWFBH-CYBMUJFWSA-N 0 0 337.387 1.616 10 0 EDAERN O=C1CN(c2ccc(F)c(Br)c2)C(=O)[C@H]2CCCN12 ZINC000164546729 534776625 /nfs/dbraw/zinc/77/66/25/534776625.db2.gz IHCHKBMINFVUKR-LLVKDONJSA-N 0 0 327.153 1.926 10 0 EDAERN Cc1nn(C)c2sc(C(=O)N3C[C@@H](C)[C@H](N4CCOCC4)C3)cc12 ZINC000173884887 534831380 /nfs/dbraw/zinc/83/13/80/534831380.db2.gz QQRHZOSQIKZGJT-BXUZGUMPSA-N 0 0 348.472 1.736 10 0 EDAERN O=C(NCCCO)[C@H]1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000170573446 534844971 /nfs/dbraw/zinc/84/49/71/534844971.db2.gz OOUGDYKRPNWKRJ-KBPBESRZSA-N 0 0 344.411 1.588 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@](C)(O)c2ccco2)C1 ZINC000173706649 526420904 /nfs/dbraw/zinc/42/09/04/526420904.db2.gz UETWAKLNCXCUNB-YVEFUNNKSA-N 0 0 338.404 1.860 10 0 EDAERN CC(=O)N1CCN(C(=O)CN2CCCC[C@H]2c2ccc(C)o2)CC1 ZINC000130937379 526609089 /nfs/dbraw/zinc/60/90/89/526609089.db2.gz QPZNAUZFENRYCN-INIZCTEOSA-N 0 0 333.432 1.806 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(N)cc(Br)c2)C1 ZINC000165580629 526900050 /nfs/dbraw/zinc/90/00/50/526900050.db2.gz IPJQBQOCILEKHG-ZDUSSCGKSA-N 0 0 340.221 1.772 10 0 EDAERN CC(=O)Nc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173960771 526941955 /nfs/dbraw/zinc/94/19/55/526941955.db2.gz HUZKSHODSCUSJY-SUMWQHHRSA-N 0 0 331.416 1.438 10 0 EDAERN CC(=O)c1cc(Br)cc(N)c1OCC(=O)NC1CC1 ZINC000165067539 527183278 /nfs/dbraw/zinc/18/32/78/527183278.db2.gz QRPVUWNFHDDBKD-UHFFFAOYSA-N 0 0 327.178 1.891 10 0 EDAERN CC(C)(C)C(=O)N1CCC(NC(=O)c2nnc(Cl)s2)CC1 ZINC000157208513 527570783 /nfs/dbraw/zinc/57/07/83/527570783.db2.gz TYIVHNSLBXMRFY-UHFFFAOYSA-N 0 0 330.841 1.958 10 0 EDAERN CCNC(=O)[C@H]1COCCN1Cc1cncc(Br)c1 ZINC000168425238 528223505 /nfs/dbraw/zinc/22/35/05/528223505.db2.gz NRSJHLBDUNYUFA-GFCCVEGCSA-N 0 0 328.210 1.181 10 0 EDAERN CCC[C@H]1C(=O)NCC(=O)N1Cc1cncc(Br)c1 ZINC000168900951 528357461 /nfs/dbraw/zinc/35/74/61/528357461.db2.gz JARGAFHWDSNTSH-NSHDSACASA-N 0 0 326.194 1.471 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCc1ccccn1)CC2 ZINC000181351052 528474398 /nfs/dbraw/zinc/47/43/98/528474398.db2.gz LEBLOASTORRGAK-AWEZNQCLSA-N 0 0 328.420 1.653 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc3nnn(C)c3c1)CC2 ZINC000183555444 528481729 /nfs/dbraw/zinc/48/17/29/528481729.db2.gz VDTDNMJYOSINTF-GFCCVEGCSA-N 0 0 339.403 1.428 10 0 EDAERN CCOCCN(C)C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1 ZINC000157633323 528711038 /nfs/dbraw/zinc/71/10/38/528711038.db2.gz KEBDNIHKFCKZMZ-UHFFFAOYSA-N 0 0 334.825 1.404 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000175002365 528737072 /nfs/dbraw/zinc/73/70/72/528737072.db2.gz KJEYKSOGDIQAQM-CQSZACIVSA-N 0 0 337.449 1.798 10 0 EDAERN CCCn1cc(Br)cc1C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000167184594 528827781 /nfs/dbraw/zinc/82/77/81/528827781.db2.gz VKTMIXPMWLXDNN-ZYHUDNBSSA-N 0 0 345.237 1.882 10 0 EDAERN CCCn1ncc(Br)c1[C@@H](O)C(C)(C)S(C)(=O)=O ZINC000158868535 528878532 /nfs/dbraw/zinc/87/85/32/528878532.db2.gz PTMUUBQTTMMFKD-SNVBAGLBSA-N 0 0 339.255 1.912 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)c1nccnc1N)c1ccccc1C ZINC000174677359 528900528 /nfs/dbraw/zinc/90/05/28/528900528.db2.gz RBLYIYMZELPROJ-ZDUSSCGKSA-N 0 0 328.372 1.792 10 0 EDAERN CCN(C(=O)C[S@](=O)Cc1nnnn1C(C)C)C1CCCCC1 ZINC000176563768 528973864 /nfs/dbraw/zinc/97/38/64/528973864.db2.gz RXSHKPWDVLRDCN-HSZRJFAPSA-N 0 0 341.481 1.684 10 0 EDAERN CCCCc1noc([C@@H](C)[S@](=O)Cc2nnnn2C(C)C)n1 ZINC000176514450 529063971 /nfs/dbraw/zinc/06/39/71/529063971.db2.gz WFPHBPGGGWXGOP-ZQJOYCHOSA-N 0 0 326.426 1.990 10 0 EDAERN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000158295504 529167997 /nfs/dbraw/zinc/16/79/97/529167997.db2.gz FEOPQHZKSXSLDX-WFASDCNBSA-N 0 0 325.430 1.706 10 0 EDAERN CCSc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccn1 ZINC000173877695 529235662 /nfs/dbraw/zinc/23/56/62/529235662.db2.gz FVDHCBVCSBQRQO-DZGCQCFKSA-N 0 0 335.473 1.986 10 0 EDAERN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188885985 535276060 /nfs/dbraw/zinc/27/60/60/535276060.db2.gz HTMPLFFMDWJJOF-GDBMZVCRSA-N 0 0 337.464 1.748 10 0 EDAERN CC(C)(O)CN(Cc1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000183780915 535300858 /nfs/dbraw/zinc/30/08/58/535300858.db2.gz VRNRECKSBRIBQR-UHFFFAOYSA-N 0 0 333.432 1.495 10 0 EDAERN CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000333063308 535305209 /nfs/dbraw/zinc/30/52/09/535305209.db2.gz NNDWZDLMUGIWCQ-PMPSAXMXSA-N 0 0 349.475 1.542 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518121 535541847 /nfs/dbraw/zinc/54/18/47/535541847.db2.gz RPAXSFMBYHHDOV-DZGCQCFKSA-N 0 0 338.452 1.564 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC000106393438 535813286 /nfs/dbraw/zinc/81/32/86/535813286.db2.gz KYFWIHCVLOIQJH-HZPDHXFCSA-N 0 0 348.443 1.161 10 0 EDAERN CCn1c(C)nnc1CS(=O)(=O)Cc1ccn(-c2ccccc2)n1 ZINC000091048224 535977228 /nfs/dbraw/zinc/97/72/28/535977228.db2.gz SHMQADASZPUAKN-UHFFFAOYSA-N 0 0 345.428 1.907 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000189457184 535985264 /nfs/dbraw/zinc/98/52/64/535985264.db2.gz FRDSPYHFHZGFJN-AWEZNQCLSA-N 0 0 339.823 1.194 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccc(=O)n(CC)c3)CCO2)cn1 ZINC000191402595 536089700 /nfs/dbraw/zinc/08/97/00/536089700.db2.gz HVXSCDNFRIUQQS-HNNXBMFYSA-N 0 0 345.403 1.690 10 0 EDAERN CCn1cc([C@@H]2CN([C@@H](C(=O)OC)c3cccnc3)CCO2)cn1 ZINC000248810294 536091113 /nfs/dbraw/zinc/09/11/13/536091113.db2.gz SGBZOVPRQWCMCE-JKSUJKDBSA-N 0 0 330.388 1.586 10 0 EDAERN CN[C@H](C(=O)NC1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000262433360 536381248 /nfs/dbraw/zinc/38/12/48/536381248.db2.gz UCMCLYQSSBOUGM-KRWDZBQOSA-N 0 0 327.432 1.466 10 0 EDAERN COc1ccccc1CNC(=O)c1c(O)nc2ccc(C)cn2c1=O ZINC000226822196 537045850 /nfs/dbraw/zinc/04/58/50/537045850.db2.gz SRVUAZSCAXUJIA-UHFFFAOYSA-N 0 0 339.351 1.647 10 0 EDAERN COc1nccc2cc(NC(=O)N3CCS(=O)(=O)C[C@@H]3C)ccc21 ZINC000333733672 537148038 /nfs/dbraw/zinc/14/80/38/537148038.db2.gz WXSRDEYVMNCRLG-NSHDSACASA-N 0 0 349.412 1.894 10 0 EDAERN COc1ncccc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000109922898 537150868 /nfs/dbraw/zinc/15/08/68/537150868.db2.gz UKBQWZQKGDTADE-UHFFFAOYSA-N 0 0 331.376 1.130 10 0 EDAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000888077800 590933270 /nfs/dbraw/zinc/93/32/70/590933270.db2.gz VNRXLSHJJFKXFW-ZIAGYGMSSA-N 0 0 338.371 1.797 10 0 EDAERN O[C@@H]1C[C@H](c2nnc[nH]2)C[C@@H]1CNc1ncncc1Br ZINC000888078452 590935493 /nfs/dbraw/zinc/93/54/93/590935493.db2.gz SHKPZUOTJVQGDG-NQMVMOMDSA-N 0 0 339.197 1.324 10 0 EDAERN COc1cnc2ccccc2c1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079135 590936144 /nfs/dbraw/zinc/93/61/44/590936144.db2.gz CRIVULRBMWBVPC-JJRVBVJISA-N 0 0 338.367 1.544 10 0 EDAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CC2(CCC2)c2ccccc21 ZINC000888093520 591023620 /nfs/dbraw/zinc/02/36/20/591023620.db2.gz BPHPVLXMPQKLIM-HZPDHXFCSA-N 0 0 340.383 1.292 10 0 EDAERN Cc1noc([C@]23CCC[C@H]2CN(C(=O)Cc2c(C)n[nH]c2C)C3)n1 ZINC000888098128 591027819 /nfs/dbraw/zinc/02/78/19/591027819.db2.gz FHBJVWDHBTYGTR-GUYCJALGSA-N 0 0 329.404 1.841 10 0 EDAERN CCc1ccoc1C(=O)N1CC(N2C[C@@H](c3nc(C)no3)CC2=O)C1 ZINC000888098803 591029214 /nfs/dbraw/zinc/02/92/14/591029214.db2.gz UONBFFIMYMGKLE-LBPRGKRZSA-N 0 0 344.371 1.374 10 0 EDAERN COC(=O)c1nc(N2CCN(C)[C@H](c3nc(C)no3)C2)ccc1C ZINC000893764710 591087799 /nfs/dbraw/zinc/08/77/99/591087799.db2.gz UHAGAKYVTYJWDX-LBPRGKRZSA-N 0 0 331.376 1.361 10 0 EDAERN CCOC(=O)c1ncc(Br)c(NCC2CC(O)C2)n1 ZINC000894772207 591411977 /nfs/dbraw/zinc/41/19/77/591411977.db2.gz DVJMWJMXNMDUHJ-UHFFFAOYSA-N 0 0 330.182 1.021 10 0 EDAERN CC[C@H]1CN(CN2c3ccccc3C(=O)C2=O)CCN1CCOC ZINC000117325043 595629326 /nfs/dbraw/zinc/62/93/26/595629326.db2.gz HIXXQKLOKVKMNU-AWEZNQCLSA-N 0 0 331.416 1.216 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3nc(C4CC4)n(C)c3=S)CCO2)c1 ZINC000112071588 596016581 /nfs/dbraw/zinc/01/65/81/596016581.db2.gz SBKARYRHWYQYDD-AWEZNQCLSA-N 0 0 348.476 1.692 10 0 EDAERN Cc1cnn(C[C@@H]2CN(Cn3nccc3-c3cccnc3)CCO2)c1 ZINC000112072060 596016832 /nfs/dbraw/zinc/01/68/32/596016832.db2.gz ZLVCQNHDRYTWQB-KRWDZBQOSA-N 0 0 338.415 1.809 10 0 EDAERN O=C(OCCCOc1ccc(Br)cc1)[C@@H]1CNC(=O)C1 ZINC000114986908 596190220 /nfs/dbraw/zinc/19/02/20/596190220.db2.gz MSSMUVCRZWCZTH-JTQLQIEISA-N 0 0 342.189 1.897 10 0 EDAERN CC(=O)NCCCOC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000119005420 596375436 /nfs/dbraw/zinc/37/54/36/596375436.db2.gz SYESBXGXNCBHCF-GDBMZVCRSA-N 0 0 336.363 1.415 10 0 EDAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@@H]1c1ccsc1 ZINC000126588724 597534498 /nfs/dbraw/zinc/53/44/98/597534498.db2.gz RFNJDIRKZRXGGA-CHWSQXEVSA-N 0 0 328.459 1.188 10 0 EDAERN CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CCO)C2)ccc1Cl ZINC000126997630 597589035 /nfs/dbraw/zinc/58/90/35/597589035.db2.gz WEMAICSFQQJEMH-JTQLQIEISA-N 0 0 331.821 1.588 10 0 EDAERN O=C(NC[C@@H]1CCCS1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000127001070 597591857 /nfs/dbraw/zinc/59/18/57/597591857.db2.gz TZXFLUWYEKZVCW-IRXDYDNUSA-N 0 0 349.500 1.943 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)OC2CCN(C=O)CC2)[C@@H]1c1ccccc1 ZINC000181956396 700205773 /nfs/dbraw/zinc/20/57/73/700205773.db2.gz UGLQSAMAEGJKFW-WMZOPIPTSA-N 0 0 344.411 1.760 10 0 EDAERN Cc1cnn(C[C@H]2CN(CN3Cc4ccc(F)cc4C3=O)CCO2)c1 ZINC000179858967 698392687 /nfs/dbraw/zinc/39/26/87/698392687.db2.gz NCBJKWYPWFPQEQ-MRXNPFEDSA-N 0 0 344.390 1.645 10 0 EDAERN CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000180092751 698587783 /nfs/dbraw/zinc/58/77/83/698587783.db2.gz MJMQTLQSDZCFLM-MRXNPFEDSA-N 0 0 339.443 1.925 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)Cn2ncc3cn(C)nc3c2=O)C12CCCC2 ZINC000186090444 701334618 /nfs/dbraw/zinc/33/46/18/701334618.db2.gz LTAJUPKCPIWGPN-CABCVRRESA-N 0 0 345.447 1.757 10 0 EDAERN Cn1ncc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1N ZINC000185284616 702433290 /nfs/dbraw/zinc/43/32/90/702433290.db2.gz AWCCHRYXCNLYMW-NSHDSACASA-N 0 0 337.424 1.522 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000186691976 712172037 /nfs/dbraw/zinc/17/20/37/712172037.db2.gz PKIBVYLGUVDXDP-UHFFFAOYSA-N 0 0 343.431 1.638 10 0 EDAERN CNC(=O)[C@H](NC(=O)Cc1csc(NC(=O)C(C)C)n1)C(C)C ZINC000178676946 290603219 /nfs/dbraw/zinc/60/32/19/290603219.db2.gz OTPOKXOXEDHYTR-GFCCVEGCSA-N 0 0 340.449 1.167 10 0 EDAERN CN(CC(F)(F)F)S(=O)(=O)c1cc(Br)cnc1N ZINC000050660471 214064619 /nfs/dbraw/zinc/06/46/19/214064619.db2.gz WCUIIPFEQFOGRF-UHFFFAOYSA-N 0 0 348.144 1.609 10 0 EDAERN CCC[C@H](C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050658841 214064898 /nfs/dbraw/zinc/06/48/98/214064898.db2.gz SKUIKMRCFAPVPF-JTQLQIEISA-N 0 0 334.463 1.481 10 0 EDAERN CCNc1ncc(S(=O)(=O)N[C@H](C)Cc2ccsc2)cn1 ZINC000050674741 214065556 /nfs/dbraw/zinc/06/55/56/214065556.db2.gz DGZDFQAQIWUDLD-SNVBAGLBSA-N 0 0 326.447 1.879 10 0 EDAERN CCNc1ncc(Br)cc1C(=O)N1CCS(=O)CC1 ZINC000050776716 214069875 /nfs/dbraw/zinc/06/98/75/214069875.db2.gz WSXSWYIGALDMDG-UHFFFAOYSA-N 0 0 346.250 1.480 10 0 EDAERN Nc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1O ZINC000051994044 214110954 /nfs/dbraw/zinc/11/09/54/214110954.db2.gz UCWVEYWMCOJTTP-WDEREUQCSA-N 0 0 349.250 1.613 10 0 EDAERN CCOc1cccc(CNC(=O)CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000052311983 214125223 /nfs/dbraw/zinc/12/52/23/214125223.db2.gz XUARRJLDWAFKJU-MRXNPFEDSA-N 0 0 333.432 1.254 10 0 EDAERN CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cccc(C(N)=S)c1 ZINC000053246789 214173105 /nfs/dbraw/zinc/17/31/05/214173105.db2.gz YMYFCEZGTJKBLX-LBPRGKRZSA-N 0 0 327.475 1.036 10 0 EDAERN O=C(CCN1CCS(=O)(=O)CC1)c1ccccc1Br ZINC000054013863 214210681 /nfs/dbraw/zinc/21/06/81/214210681.db2.gz IGOPJEWWCXYJSX-UHFFFAOYSA-N 0 0 346.246 1.752 10 0 EDAERN O=C(Nc1cc(F)ccc1F)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173697865 231009423 /nfs/dbraw/zinc/00/94/23/231009423.db2.gz YHTWCAFTXDPLLY-LLVKDONJSA-N 0 0 335.314 1.359 10 0 EDAERN O=S(=O)(c1cccc2c1OCCO2)N1CCC[C@H]1Cn1ccnc1 ZINC000173733388 231017421 /nfs/dbraw/zinc/01/74/21/231017421.db2.gz MPAMXQCPDAVUEC-ZDUSSCGKSA-N 0 0 349.412 1.508 10 0 EDAERN C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@H]1N1CCOCC1 ZINC000173867506 231056765 /nfs/dbraw/zinc/05/67/65/231056765.db2.gz HHGIFDHJSVBWNG-GXTWGEPZSA-N 0 0 336.457 1.614 10 0 EDAERN CCc1noc2ncc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)cc12 ZINC000173877536 231059296 /nfs/dbraw/zinc/05/92/96/231059296.db2.gz MAXATOJVVBVDIG-BLLLJJGKSA-N 0 0 344.415 1.578 10 0 EDAERN CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1Cl ZINC000173847452 231050020 /nfs/dbraw/zinc/05/00/20/231050020.db2.gz LVENXPDYXGRXLW-YPMHNXCESA-N 0 0 340.855 1.658 10 0 EDAERN Cn1c2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc2oc1=O ZINC000173901382 231065965 /nfs/dbraw/zinc/06/59/65/231065965.db2.gz REPQFBXWKKBRIG-ZDUSSCGKSA-N 0 0 346.387 1.070 10 0 EDAERN CC[C@@H]1NC(=O)[C@@H](C)N(Cc2cncc(Br)c2)C1=O ZINC000168888114 529463383 /nfs/dbraw/zinc/46/33/83/529463383.db2.gz ZSCWQVSFEVADDR-KCJUWKMLSA-N 0 0 326.194 1.470 10 0 EDAERN COC(=O)c1nn(-c2ccncc2)c(C)c1I ZINC000049899360 214035055 /nfs/dbraw/zinc/03/50/55/214035055.db2.gz FPHUDZAEFIOLQE-UHFFFAOYSA-N 0 0 343.124 1.967 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(Cl)cn3C)C2=O)n(C)n1 ZINC000174975003 231358553 /nfs/dbraw/zinc/35/85/53/231358553.db2.gz OQALWVMRJZUDQF-LBPRGKRZSA-N 0 0 349.822 1.646 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccccc3F)C2=O)n(C)n1 ZINC000174987556 231360484 /nfs/dbraw/zinc/36/04/84/231360484.db2.gz YVJZOPOLQQWLGS-CQSZACIVSA-N 0 0 330.363 1.793 10 0 EDAERN CCc1ccccc1NC(=O)CNC(=O)CN1CCS[C@@H](C)C1 ZINC000171697830 529594657 /nfs/dbraw/zinc/59/46/57/529594657.db2.gz ZMUCICXHPBLPIB-ZDUSSCGKSA-N 0 0 335.473 1.741 10 0 EDAERN CC[C@H](C(N)=S)N1CCN(C(=O)c2sccc2OC)CC1 ZINC000162072853 529629102 /nfs/dbraw/zinc/62/91/02/529629102.db2.gz JBTUSRIQFGPAFV-SNVBAGLBSA-N 0 0 327.475 1.579 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cnccc1C ZINC000177979617 282211228 /nfs/dbraw/zinc/21/12/28/282211228.db2.gz SNJOPOUKXFAYIT-AWEZNQCLSA-N 0 0 327.388 1.525 10 0 EDAERN CC(=O)N1CCN(C(=O)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000049684087 214026258 /nfs/dbraw/zinc/02/62/58/214026258.db2.gz HUVFGGCZXPUKLC-UHFFFAOYSA-N 0 0 334.763 1.694 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3c[nH]nc3-c3cccnc3)CCO2)[nH]1 ZINC000129129174 529701533 /nfs/dbraw/zinc/70/15/33/529701533.db2.gz PXJNFSWJEXDMIZ-CQSZACIVSA-N 0 0 339.403 1.726 10 0 EDAERN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2I)CN1 ZINC000098089587 219083169 /nfs/dbraw/zinc/08/31/69/219083169.db2.gz KCOVGPOOXZQZFI-SCZZXKLOSA-N 0 0 347.152 1.574 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000133138879 529750582 /nfs/dbraw/zinc/75/05/82/529750582.db2.gz JKFBKPVLOOMKMH-CYBMUJFWSA-N 0 0 342.403 1.904 10 0 EDAERN CCNS(=O)(=O)NCCc1cc2cc(C(C)C)ccc2[nH]c1=O ZINC000062222532 214705318 /nfs/dbraw/zinc/70/53/18/214705318.db2.gz LFPPTVLNOPTFOV-UHFFFAOYSA-N 0 0 337.445 1.638 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171397232 529783306 /nfs/dbraw/zinc/78/33/06/529783306.db2.gz QUUIFYXIVNXSKT-MRXNPFEDSA-N 0 0 341.415 1.788 10 0 EDAERN CCc1cc(=O)[nH]c2cc(NC(=O)CSc3nnnn3C)ccc12 ZINC000049473267 214010779 /nfs/dbraw/zinc/01/07/79/214010779.db2.gz MKZAMUKEUUHMDQ-UHFFFAOYSA-N 0 0 344.400 1.345 10 0 EDAERN CNC(=O)NC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C=O ZINC000166944442 529880433 /nfs/dbraw/zinc/88/04/33/529880433.db2.gz HBPQLOIXOYIEOS-MRVPVSSYSA-N 0 0 343.177 1.793 10 0 EDAERN CNC(=O)[C@@H]1CCCCN1c1ncc(N)c(C)c1Br ZINC000165507275 529899853 /nfs/dbraw/zinc/89/98/53/529899853.db2.gz RYLGSGRPILHBRW-JTQLQIEISA-N 0 0 327.226 1.840 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCn1ccc2ccccc21 ZINC000154792046 529902152 /nfs/dbraw/zinc/90/21/52/529902152.db2.gz XRWWICCOWQNQFG-INIZCTEOSA-N 0 0 328.416 1.951 10 0 EDAERN CN(CCNC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173793693 529914048 /nfs/dbraw/zinc/91/40/48/529914048.db2.gz XHJXMMWIZMZINP-QGZVFWFLSA-N 0 0 332.448 1.239 10 0 EDAERN CS(=O)(=O)c1cnn(-c2cc(Br)ccc2CO)c1 ZINC000725250948 539387382 /nfs/dbraw/zinc/38/73/82/539387382.db2.gz QYTBUDOBSTZVDX-UHFFFAOYSA-N 0 0 331.191 1.531 10 0 EDAERN CN1C(=O)C[C@H](NCc2cc(Br)cc3c2OCC3)C1=O ZINC000167835598 530045132 /nfs/dbraw/zinc/04/51/32/530045132.db2.gz SLMQEBLJMMPIIH-NSHDSACASA-N 0 0 339.189 1.231 10 0 EDAERN CCCS(=O)(=O)N1CCN(C(=O)NCc2ccccc2)CC1 ZINC000047967665 213878627 /nfs/dbraw/zinc/87/86/27/213878627.db2.gz ZCTHOMNYAUZYLC-UHFFFAOYSA-N 0 0 325.434 1.254 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)COc3cc(C)ccc3F)CCO2)c1 ZINC000126488045 222707126 /nfs/dbraw/zinc/70/71/26/222707126.db2.gz GUZVNSJFXMCASH-OAHLLOKOSA-N 0 0 347.390 1.945 10 0 EDAERN CC(C)c1nnc(CS(=O)(=O)c2n[nH]c(C(C)(C)C)n2)n1C ZINC000195170893 534990314 /nfs/dbraw/zinc/99/03/14/534990314.db2.gz WZFZRGKWXHJYRH-UHFFFAOYSA-N 0 0 326.426 1.328 10 0 EDAERN c1cc2c(c(OC[C@H]3C[NH2+]CCO3)c1)OCC(CN1CCOCC1)=C2 ZINC000003995919 210096592 /nfs/dbraw/zinc/09/65/92/210096592.db2.gz RTKDBEOSPDFLGD-QGZVFWFLSA-N 0 0 346.427 1.162 10 0 in-vitro EDAERN CCNC(=O)c1c(C)nc(N)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000066136101 215016023 /nfs/dbraw/zinc/01/60/23/215016023.db2.gz LGGZVLKJHKPIME-UHFFFAOYSA-N 0 0 346.387 1.810 10 0 EDAERN CC[C@]1(C)CC(=O)N(c2ccc(S(N)(=O)=O)c(Cl)c2)C1=O ZINC000003609245 210064729 /nfs/dbraw/zinc/06/47/29/210064729.db2.gz OJERTUHOEDFFPX-CYBMUJFWSA-N 0 0 330.793 1.667 10 0 EDAERN CCC(=O)OC1([C@@H](C)c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O ZINC000003603822 210063637 /nfs/dbraw/zinc/06/36/37/210063637.db2.gz MJRCRPBSITUCBV-NSHDSACASA-N 0 0 332.356 1.533 10 0 EDAERN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)n1nc(C)ccc1=O ZINC000044394878 213621883 /nfs/dbraw/zinc/62/18/83/213621883.db2.gz UMSJOHXHQXHROT-NSHDSACASA-N 0 0 344.371 1.718 10 0 EDAERN CN(C[C@H]1CCCO1)S(=O)(=O)c1cncc(Br)c1 ZINC000044257598 213615719 /nfs/dbraw/zinc/61/57/19/213615719.db2.gz PHFZOMNJXBYZPI-SNVBAGLBSA-N 0 0 335.223 1.644 10 0 EDAERN COC[C@@H](C)C(=O)NCc1ccc(N(C)C(=O)[C@H](C)COC)cc1 ZINC000179435068 233031111 /nfs/dbraw/zinc/03/11/11/233031111.db2.gz PLVIERWTUMYOAU-ZIAGYGMSSA-N 0 0 336.432 1.831 10 0 EDAERN CC(C)NC(=O)[C@@H](C)S(=O)(=O)c1nc2ccc(N)cc2s1 ZINC000042192430 213484284 /nfs/dbraw/zinc/48/42/84/213484284.db2.gz KNVUAROYNYOEDO-MRVPVSSYSA-N 0 0 327.431 1.565 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000249383340 539700523 /nfs/dbraw/zinc/70/05/23/539700523.db2.gz BGOHCVBTWLBGAA-ORQFMDKSSA-N 0 0 348.443 1.033 10 0 EDAERN COC[C@@H](C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000103431152 219298083 /nfs/dbraw/zinc/29/80/83/219298083.db2.gz SGXFMQWFYZUDEO-CYBMUJFWSA-N 0 0 336.407 1.963 10 0 EDAERN C[C@@H](C(=O)N1CCOC2(CCCC2)C1)N1C(=O)c2ccccc2C1=O ZINC000151421015 539754064 /nfs/dbraw/zinc/75/40/64/539754064.db2.gz QAHVZVNGKIFIIH-ZDUSSCGKSA-N 0 0 342.395 1.843 10 0 EDAERN C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000104205180 219361078 /nfs/dbraw/zinc/36/10/78/219361078.db2.gz WZAUVUYBMAXENY-CBAPKCEASA-N 0 0 327.178 1.941 10 0 EDAERN C[C@H](Cc1ccccc1Cl)NS(=O)(=O)c1ccc(=O)[nH]c1 ZINC000040824757 213389674 /nfs/dbraw/zinc/38/96/74/213389674.db2.gz ZUNSZJHDQJCVLP-SNVBAGLBSA-N 0 0 326.805 1.938 10 0 EDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CC=CCC1 ZINC000068930099 215347035 /nfs/dbraw/zinc/34/70/35/215347035.db2.gz PHEVPXZPXDIUNC-STQMWFEESA-N 0 0 347.440 1.586 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCNC2=O)cc1Br ZINC000040692694 213370976 /nfs/dbraw/zinc/37/09/76/213370976.db2.gz UTVDJAHXSWCAQZ-UHFFFAOYSA-N 0 0 335.179 1.172 10 0 EDAERN Cc1ccc(-c2cc(C(=O)NCC3(CO)CCOCC3)nn2C)cc1 ZINC000040677722 213367995 /nfs/dbraw/zinc/36/79/95/213367995.db2.gz NABICOCJHSYYQA-UHFFFAOYSA-N 0 0 343.427 1.914 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cnn(C(C)(C)C)c3)C2)cn1 ZINC000153153948 539856946 /nfs/dbraw/zinc/85/69/46/539856946.db2.gz PNFJEAHFIDQBJY-LBPRGKRZSA-N 0 0 344.419 1.326 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)s1 ZINC000180970017 234048434 /nfs/dbraw/zinc/04/84/34/234048434.db2.gz RBGGJXYPWGZYKH-GFCCVEGCSA-N 0 0 341.462 1.452 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1)[C@@H]1CCCO1 ZINC000180991460 234053317 /nfs/dbraw/zinc/05/33/17/234053317.db2.gz FJQSHTGXJQLLJH-WFASDCNBSA-N 0 0 340.383 1.766 10 0 EDAERN c1ccc(-n2nnnc2N2CCN(C[C@H]3CCCCO3)CC2)cc1 ZINC000040511283 213327833 /nfs/dbraw/zinc/32/78/33/213327833.db2.gz PXJZOCGLGYOESY-MRXNPFEDSA-N 0 0 328.420 1.353 10 0 EDAERN CCNC(=O)Cn1c(CCCNC(=O)C(C)C)nc2ccccc21 ZINC000040299995 213290339 /nfs/dbraw/zinc/29/03/39/213290339.db2.gz FZNVHILLTOYZGC-UHFFFAOYSA-N 0 0 330.432 1.877 10 0 EDAERN Cc1ccc(Cl)cc1S(=O)(=O)NCCCn1ncccc1=O ZINC000038517406 213212405 /nfs/dbraw/zinc/21/24/05/213212405.db2.gz BEWCPBUKBLBGRQ-UHFFFAOYSA-N 0 0 341.820 1.574 10 0 EDAERN COCCOc1ccccc1NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000175965493 540098619 /nfs/dbraw/zinc/09/86/19/540098619.db2.gz PURGDXRZAJRZGZ-CYBMUJFWSA-N 0 0 331.376 1.960 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000182134806 540129867 /nfs/dbraw/zinc/12/98/67/540129867.db2.gz XJSDGOBZHHCFFP-INIZCTEOSA-N 0 0 334.464 1.457 10 0 EDAERN O=C(NCCc1cccnc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000048267229 138126218 /nfs/dbraw/zinc/12/62/18/138126218.db2.gz BNVHFOWHXCKVDM-HNNXBMFYSA-N 0 0 345.424 1.842 10 0 EDAERN CC(C)CC(=O)N[C@H](C(=O)NCc1nnc2n1CCCC2)C(C)C ZINC000053904746 138141843 /nfs/dbraw/zinc/14/18/43/138141843.db2.gz ZCRPCJQKQTUDPV-INIZCTEOSA-N 0 0 335.452 1.418 10 0 EDAERN C[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000069099424 138197689 /nfs/dbraw/zinc/19/76/89/138197689.db2.gz DNHKQMCJNDKSBC-STQMWFEESA-N 0 0 348.424 1.979 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)o1 ZINC000073248253 138215841 /nfs/dbraw/zinc/21/58/41/138215841.db2.gz AKZFDXNYQTWNKE-JTQLQIEISA-N 0 0 327.340 1.899 10 0 EDAERN COc1ccc(CCC(=O)N2CCn3c(C)nnc3C2)cc1OC ZINC000074891124 138239853 /nfs/dbraw/zinc/23/98/53/138239853.db2.gz PXJWBGCAGXWBNO-UHFFFAOYSA-N 0 0 330.388 1.579 10 0 EDAERN O=C(CNC(=O)NC[C@@H]1CCCC[C@@H]1O)N1CCc2ccccc21 ZINC000077806922 138255183 /nfs/dbraw/zinc/25/51/83/138255183.db2.gz PTAWKDBJAVMFBR-HOCLYGCPSA-N 0 0 331.416 1.426 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000083723669 138269325 /nfs/dbraw/zinc/26/93/25/138269325.db2.gz ZEEPOCNDLPIHPT-CYBMUJFWSA-N 0 0 348.451 1.369 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000079182064 138260696 /nfs/dbraw/zinc/26/06/96/138260696.db2.gz XCLANOOTYYGKII-INIZCTEOSA-N 0 0 346.431 1.246 10 0 EDAERN CCc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(C)c2)n1C ZINC000091049598 138281558 /nfs/dbraw/zinc/28/15/58/138281558.db2.gz HNIQTMOQZHVZLF-UHFFFAOYSA-N 0 0 336.417 1.239 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(N)=S)c2)C[C@@H](C)O1 ZINC000038005167 213187470 /nfs/dbraw/zinc/18/74/70/213187470.db2.gz ANARTTNZLGPOIW-GHMZBOCLSA-N 0 0 328.459 1.260 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000103763071 138299402 /nfs/dbraw/zinc/29/94/02/138299402.db2.gz GYXGBQFDYLFXSA-UONOGXRCSA-N 0 0 330.388 1.044 10 0 EDAERN NC(=O)[C@H]1COCCN1Cc1ccc(Cl)cc1Br ZINC000092229426 138287109 /nfs/dbraw/zinc/28/71/09/138287109.db2.gz AMEXIDVKKZMUOX-LLVKDONJSA-N 0 0 333.613 1.789 10 0 EDAERN C[C@H]1C[C@H](C)CN(C(=O)CN2CCC(N(C)c3cccnn3)CC2)C1 ZINC000105806427 138301644 /nfs/dbraw/zinc/30/16/44/138301644.db2.gz XIOHQVCNQBZFNI-HOTGVXAUSA-N 0 0 345.491 1.882 10 0 EDAERN C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(Cl)s1 ZINC000093125295 138291785 /nfs/dbraw/zinc/29/17/85/138291785.db2.gz JQELMRXCKWYTHD-ZETCQYMHSA-N 0 0 330.797 1.314 10 0 EDAERN COc1ccc(CC[C@@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112746584 138309495 /nfs/dbraw/zinc/30/94/95/138309495.db2.gz TYBWPPIWEOCSOR-HIFRSBDPSA-N 0 0 343.431 1.922 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)CC2 ZINC000114863256 138310671 /nfs/dbraw/zinc/31/06/71/138310671.db2.gz LSXIUOPMWNBPBG-NSHDSACASA-N 0 0 337.424 1.186 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)CSC[C@@H]1CCCCO1)CC2 ZINC000114871518 138310804 /nfs/dbraw/zinc/31/08/04/138310804.db2.gz RHLLHXQASWJWJW-OLZOCXBDSA-N 0 0 338.477 1.574 10 0 EDAERN C[C@H](NC(=O)c1cccc(-n2cncn2)c1)c1nnc2n1CCCC2 ZINC000126250028 138337856 /nfs/dbraw/zinc/33/78/56/138337856.db2.gz KOUGJWJUXUTBMN-LBPRGKRZSA-N 0 0 337.387 1.686 10 0 EDAERN O=S(=O)(c1ccc(Cl)nc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000132673212 138380430 /nfs/dbraw/zinc/38/04/30/138380430.db2.gz CXHSKMUFLPPXDI-LBPRGKRZSA-N 0 0 339.804 1.972 10 0 EDAERN Cc1oc2ccc(NC(=O)NC[C@H](O)CN3CCOCC3)cc2c1C ZINC000186502895 235925705 /nfs/dbraw/zinc/92/57/05/235925705.db2.gz LEFJSIZYVMCMQJ-HNNXBMFYSA-N 0 0 347.415 1.864 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)CCS(=O)(=O)N(C)C)C2)n1 ZINC000137306677 138436467 /nfs/dbraw/zinc/43/64/67/138436467.db2.gz FCAZGFHYURZIQP-GFCCVEGCSA-N 0 0 345.490 1.439 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2ccccc2C(N)=S)C[C@H](C)S1 ZINC000070387534 215687912 /nfs/dbraw/zinc/68/79/12/215687912.db2.gz GIGUDHWJBRUGSZ-UWVGGRQHSA-N 0 0 330.500 1.835 10 0 EDAERN [NH3+]CCC[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000036297960 213083340 /nfs/dbraw/zinc/08/33/40/213083340.db2.gz BNKRGSAZQLSPSQ-UHFFFAOYSA-N 0 0 329.166 1.354 10 0 EDAERN COCCN1[C@@H](C)CN(C(=O)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000036123392 213070040 /nfs/dbraw/zinc/07/00/40/213070040.db2.gz DMYYZQRTLAZGBT-KBPBESRZSA-N 0 0 336.432 1.885 10 0 EDAERN CSC[C@H](CCO)NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155360375 138535657 /nfs/dbraw/zinc/53/56/57/138535657.db2.gz NAZHSKCGWGUXDW-RYUDHWBXSA-N 0 0 341.481 1.130 10 0 EDAERN CC[NH2+][C@](C)(CCn1cc(I)cn1)C(=O)[O-] ZINC000070678537 215704968 /nfs/dbraw/zinc/70/49/68/215704968.db2.gz MXEBUUKYTNPEII-SNVBAGLBSA-N 0 0 337.161 1.331 10 0 EDAERN Cc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 ZINC000036106710 213068851 /nfs/dbraw/zinc/06/88/51/213068851.db2.gz DUTFJIZIADDDMT-KRWDZBQOSA-N 0 0 348.443 1.764 10 0 EDAERN CN(C(=O)CSc1cc(N)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000071262828 215746999 /nfs/dbraw/zinc/74/69/99/215746999.db2.gz JVDVONXQVJUQEB-LLVKDONJSA-N 0 0 332.422 1.146 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)C1CCC(CO)CC1)CC2 ZINC000128841400 138622743 /nfs/dbraw/zinc/62/27/43/138622743.db2.gz GNIFBENRMYETJV-SLTAFYQDSA-N 0 0 349.479 1.909 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000158534041 138633049 /nfs/dbraw/zinc/63/30/49/138633049.db2.gz HIAXFEALFKJRFV-OAHLLOKOSA-N 0 0 344.371 1.593 10 0 EDAERN C[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)C(=O)[O-] ZINC000035387143 213023948 /nfs/dbraw/zinc/02/39/48/213023948.db2.gz BXIUOJNYYKSAGM-ZETCQYMHSA-N 0 0 348.140 1.292 10 0 EDAERN NC(=O)C1CCN(CC(=O)c2ccc(Br)s2)CC1 ZINC000035022610 213005135 /nfs/dbraw/zinc/00/51/35/213005135.db2.gz WQKAXLXTFUDQGS-UHFFFAOYSA-N 0 0 331.235 1.891 10 0 EDAERN CC[C@@H](CO)N(C[C@@H](C)C(=O)OC)C(=O)Cc1ccc(OC)cc1 ZINC000071620888 215790570 /nfs/dbraw/zinc/79/05/70/215790570.db2.gz IQGUGHGNCKXRSP-HIFRSBDPSA-N 0 0 337.416 1.646 10 0 EDAERN Cc1cccc(OCCNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173767026 138674478 /nfs/dbraw/zinc/67/44/78/138674478.db2.gz JACIPNUJDKJNKL-INIZCTEOSA-N 0 0 333.432 1.490 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000176715762 138711610 /nfs/dbraw/zinc/71/16/10/138711610.db2.gz KZBXROYKAZRDHU-ZDUSSCGKSA-N 0 0 344.477 1.109 10 0 EDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(OCC(F)(F)F)nc1 ZINC000177613725 138731931 /nfs/dbraw/zinc/73/19/31/138731931.db2.gz UMRPZKYZQDAEBY-JTQLQIEISA-N 0 0 341.293 1.879 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCc1ccccn1)CC2 ZINC000179227408 138750310 /nfs/dbraw/zinc/75/03/10/138750310.db2.gz YVWDZKLXWHBJQK-AWEZNQCLSA-N 0 0 328.420 1.482 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)CC2 ZINC000179991111 138756044 /nfs/dbraw/zinc/75/60/44/138756044.db2.gz BGMPGNWUMCLWOS-KGLIPLIRSA-N 0 0 332.379 1.534 10 0 EDAERN Cc1cc(S(=O)(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(C)o1 ZINC000181726943 138771012 /nfs/dbraw/zinc/77/10/12/138771012.db2.gz FXHYLDFLIQVSLG-LBPRGKRZSA-N 0 0 338.433 1.905 10 0 EDAERN O=C(NC1CN(C(=O)NCc2nc3ccccc3s2)C1)C1CC1 ZINC000189899594 237377647 /nfs/dbraw/zinc/37/76/47/237377647.db2.gz FWDRYGNMDARMIQ-UHFFFAOYSA-N 0 0 330.413 1.716 10 0 EDAERN COc1ccc(OCCNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177315369 237378887 /nfs/dbraw/zinc/37/88/87/237378887.db2.gz CAVYETVDVMEROV-AWEZNQCLSA-N 0 0 331.376 1.500 10 0 EDAERN Cn1ccc(CC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000183874171 138789129 /nfs/dbraw/zinc/78/91/29/138789129.db2.gz CYXHXRSKGNRZPR-CQSZACIVSA-N 0 0 328.420 1.644 10 0 EDAERN COc1ccc(CNC(=O)CN2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000185068117 138800611 /nfs/dbraw/zinc/80/06/11/138800611.db2.gz VWCAIQMPQFPSFJ-HNNXBMFYSA-N 0 0 346.387 1.076 10 0 EDAERN CCOC(=O)c1cnc2c(C(=O)OC)c(C)nn2c1/C=C/N(C)C ZINC000072417010 216205920 /nfs/dbraw/zinc/20/59/20/216205920.db2.gz CTSYCXWWCZOSMG-BQYQJAHWSA-N 0 0 332.360 1.533 10 0 EDAERN CCOC(=O)CNC[C@H](O)COc1cccc(Br)c1 ZINC000037893713 213172565 /nfs/dbraw/zinc/17/25/65/213172565.db2.gz WQEMYQKAXYXQNZ-NSHDSACASA-N 0 0 332.194 1.342 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCCCn2cccn2)C12CCOCC2 ZINC000185565312 138806334 /nfs/dbraw/zinc/80/63/34/138806334.db2.gz LLICNVBUYINJLH-GJZGRUSLSA-N 0 0 336.436 1.547 10 0 EDAERN CCc1c(C)nc2n(c1=O)CN(CCO)CN2c1ccc(C)cc1 ZINC000072441849 216235595 /nfs/dbraw/zinc/23/55/95/216235595.db2.gz PMPVHBNMQCIOKI-UHFFFAOYSA-N 0 0 328.416 1.784 10 0 EDAERN COC(=O)Cc1nn(-c2nc3ccccc3[nH]2)c2c1nnc1ccnn12 ZINC000072461568 216244129 /nfs/dbraw/zinc/24/41/29/216244129.db2.gz UMVRYOFWZINCCY-UHFFFAOYSA-N 0 0 348.326 1.055 10 0 EDAERN COCCOc1cc(OC)ccc1C(=O)NCCn1cc(C)cn1 ZINC000188471576 138842229 /nfs/dbraw/zinc/84/22/29/138842229.db2.gz XLELACVMFDLERX-UHFFFAOYSA-N 0 0 333.388 1.655 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000188554941 138844783 /nfs/dbraw/zinc/84/47/83/138844783.db2.gz PJAOFEJIXLFWTF-MRCXROJRSA-N 0 0 342.342 1.447 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000188842268 138853349 /nfs/dbraw/zinc/85/33/49/138853349.db2.gz QAOZIDSJNUYYFK-JTQLQIEISA-N 0 0 330.306 1.865 10 0 EDAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000189211879 138864129 /nfs/dbraw/zinc/86/41/29/138864129.db2.gz GQCOWFNZJXZQFP-CYBMUJFWSA-N 0 0 347.463 1.820 10 0 EDAERN O=C(Cc1ccc[nH]1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000075046306 216547098 /nfs/dbraw/zinc/54/70/98/216547098.db2.gz BJOZFNDUMCBLBY-UHFFFAOYSA-N 0 0 341.367 1.271 10 0 EDAERN Cc1ccc([C@H](CNC(=O)c2ccnnc2)N2CCOCC2)s1 ZINC000132551685 223341599 /nfs/dbraw/zinc/34/15/99/223341599.db2.gz IPWYSYHJLPWTMG-AWEZNQCLSA-N 0 0 332.429 1.650 10 0 EDAERN CN(C)C[C@@H](NS(=O)(=O)N1CCCCCC1)c1ccccc1 ZINC000022412920 212295635 /nfs/dbraw/zinc/29/56/35/212295635.db2.gz UWJLYLUTCNRIJP-MRXNPFEDSA-N 0 0 325.478 2.000 10 0 EDAERN O=C(NCc1ccco1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000075532680 216632118 /nfs/dbraw/zinc/63/21/18/216632118.db2.gz IGVBTOFOEKIXAQ-UHFFFAOYSA-N 0 0 327.275 1.233 10 0 EDAERN COc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1 ZINC000224263731 241744893 /nfs/dbraw/zinc/74/48/93/241744893.db2.gz GPVBUIXQIRITMV-UHFFFAOYSA-N 0 0 329.360 1.966 10 0 EDAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCC1CC1 ZINC000109941963 220003675 /nfs/dbraw/zinc/00/36/75/220003675.db2.gz SEUADPHTSOEXDQ-UHFFFAOYSA-N 0 0 339.351 1.720 10 0 EDAERN Cc1nnc(SCCC(=O)Nc2ccc3c(c2)OCCO3)n1N ZINC000020842586 212175696 /nfs/dbraw/zinc/17/56/96/212175696.db2.gz GDFBFQPTHQNGGB-UHFFFAOYSA-N 0 0 335.389 1.192 10 0 EDAERN Cc1cc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000020628601 212157533 /nfs/dbraw/zinc/15/75/33/212157533.db2.gz UCMCUFOTMNJSGX-UHFFFAOYSA-N 0 0 343.792 1.944 10 0 EDAERN CCS(=O)(=O)N1Cc2ccnn2[C@@H](COCc2cccnc2)C1 ZINC000253489052 244001862 /nfs/dbraw/zinc/00/18/62/244001862.db2.gz CSWGOXPKIILTDI-OAHLLOKOSA-N 0 0 336.417 1.201 10 0 EDAERN CCOC(=O)N1CCN(c2c(=O)c(=O)c2NCc2ccccc2)CC1 ZINC000020379141 212124498 /nfs/dbraw/zinc/12/44/98/212124498.db2.gz OIZIQPNAFHDLOI-UHFFFAOYSA-N 0 0 343.383 1.173 10 0 EDAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CCCO3)c2)n[nH]1 ZINC000077707749 216959138 /nfs/dbraw/zinc/95/91/38/216959138.db2.gz HWFATURMKRMQNS-YGRLFVJLSA-N 0 0 343.387 1.402 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(SC)CCC1 ZINC000195033122 139005229 /nfs/dbraw/zinc/00/52/29/139005229.db2.gz AVYYXFYKZOWWGD-NSHDSACASA-N 0 0 339.465 1.844 10 0 EDAERN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3nnnn3C(C)C)C2)n1 ZINC000195090587 139006624 /nfs/dbraw/zinc/00/66/24/139006624.db2.gz ACGXNHDVTUFQBR-CQSZACIVSA-N 0 0 343.435 1.808 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCC3(SC)CC3)CCO2)[nH]1 ZINC000195134571 139007541 /nfs/dbraw/zinc/00/75/41/139007541.db2.gz WCTOHRWGRCEZAR-SNVBAGLBSA-N 0 0 325.438 1.346 10 0 EDAERN CCCCn1c(C)c(C)nc1S(=O)(=O)Cc1nnnn1C(C)C ZINC000195479367 139017704 /nfs/dbraw/zinc/01/77/04/139017704.db2.gz SFXZMGCNYLYJMS-UHFFFAOYSA-N 0 0 340.453 1.841 10 0 EDAERN NS(=O)(=O)Cc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000195452806 139017115 /nfs/dbraw/zinc/01/71/15/139017115.db2.gz QXOOEDXSQDGFEC-AWEZNQCLSA-N 0 0 332.381 1.339 10 0 EDAERN COc1ccc(Br)cc1N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000049566761 214020245 /nfs/dbraw/zinc/02/02/45/214020245.db2.gz FBJLRTQRKSFNJO-NXEZZACHSA-N 0 0 336.207 1.028 10 0 EDAERN O=C(CN1CCC(c2cc[nH]n2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000195506717 139018563 /nfs/dbraw/zinc/01/85/63/139018563.db2.gz UABGYHOZCRJCCV-UHFFFAOYSA-N 0 0 342.399 1.999 10 0 EDAERN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000110494078 220039467 /nfs/dbraw/zinc/03/94/67/220039467.db2.gz IHYFAHWANYHMIS-CYBMUJFWSA-N 0 0 344.440 1.850 10 0 EDAERN NC(=O)c1ccccc1NC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000195521626 139019881 /nfs/dbraw/zinc/01/98/81/139019881.db2.gz DQOVGHNTSHXGCL-CYBMUJFWSA-N 0 0 346.412 1.254 10 0 EDAERN Cn1nc(Oc2nc(NC3CC3)nc(NC(C)(C)C)n2)ccc1=O ZINC000016856962 211938448 /nfs/dbraw/zinc/93/84/48/211938448.db2.gz KQQWAVHKSFPANY-UHFFFAOYSA-N 0 0 331.380 1.542 10 0 EDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CCCN(C)C(=O)OC)C1 ZINC000110755646 220065122 /nfs/dbraw/zinc/06/51/22/220065122.db2.gz XWSNJEDNNOBKAU-CYBMUJFWSA-N 0 0 337.424 1.482 10 0 EDAERN C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000080634597 217320693 /nfs/dbraw/zinc/32/06/93/217320693.db2.gz NQCXTDWKWMETDC-TZMCWYRMSA-N 0 0 348.428 1.420 10 0 EDAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000245421488 139073676 /nfs/dbraw/zinc/07/36/76/139073676.db2.gz CSMUHZLJOWXWSR-RBSFLKMASA-N 0 0 334.420 1.496 10 0 EDAERN COc1ccc(CC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000112063519 220235874 /nfs/dbraw/zinc/23/58/74/220235874.db2.gz OHJMBHIJYORKFV-KRWDZBQOSA-N 0 0 329.400 1.670 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)CCOC[C@@H]3CCCO3)CCO2)c1 ZINC000112063944 220236491 /nfs/dbraw/zinc/23/64/91/220236491.db2.gz FSKCAURTBMEOKQ-JKSUJKDBSA-N 0 0 337.420 1.005 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)/C=C/c3cncc(F)c3)CCO2)c1 ZINC000112067374 220237135 /nfs/dbraw/zinc/23/71/35/220237135.db2.gz LIPGTAZANMNFEZ-WOMSROEHSA-N 0 0 330.363 1.666 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3[nH]nc4ccccc43)CCO2)c1 ZINC000112067582 220237385 /nfs/dbraw/zinc/23/73/85/220237385.db2.gz ZJZRLQFLVSBGQJ-CQSZACIVSA-N 0 0 339.399 1.538 10 0 EDAERN O=S1(=O)CC[C@H](C[C@H](O)Cc2cncc(Br)c2)C1 ZINC000139943490 223712775 /nfs/dbraw/zinc/71/27/75/223712775.db2.gz IZDWHTCTQRHJAC-SKDRFNHKSA-N 0 0 334.235 1.572 10 0 EDAERN O=C(COc1ccc(N2CCCC2=O)cc1)N[C@H]1CCCC[C@@H]1CO ZINC000151067881 223776580 /nfs/dbraw/zinc/77/65/80/223776580.db2.gz YBWHFMLBTFPGGD-PBHICJAKSA-N 0 0 346.427 1.860 10 0 EDAERN COc1ccsc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246064082 139093462 /nfs/dbraw/zinc/09/34/62/139093462.db2.gz WRNFPWFNXGMRMQ-VXGBXAGGSA-N 0 0 346.474 1.098 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H]2CC=CCC2)ncn1 ZINC000246105424 139095063 /nfs/dbraw/zinc/09/50/63/139095063.db2.gz HLCUYPCKQIXGTH-KGLIPLIRSA-N 0 0 330.436 1.895 10 0 EDAERN C[C@H](NC(=O)N1CCC(OC[C@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000246112940 139095420 /nfs/dbraw/zinc/09/54/20/139095420.db2.gz KDKXBKQMEVPZPI-IMJJTQAJSA-N 0 0 326.437 1.924 10 0 EDAERN C[C@H]1CN(Cc2noc(-c3ccsc3)n2)C[C@H]1N1CCOCC1 ZINC000246119539 139095591 /nfs/dbraw/zinc/09/55/91/139095591.db2.gz LBVXCQQGLMQTEH-GXTWGEPZSA-N 0 0 334.445 1.951 10 0 EDAERN C[C@H](COCc1ccccc1)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000246281508 139102401 /nfs/dbraw/zinc/10/24/01/139102401.db2.gz VQBKMAJOGCFQPU-ILXRZTDVSA-N 0 0 342.461 1.535 10 0 EDAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@H]3C3CC3)CC2)C1 ZINC000246445230 139108840 /nfs/dbraw/zinc/10/88/40/139108840.db2.gz IEWPHJRBHWBQQD-SQNIBIBYSA-N 0 0 335.492 1.286 10 0 EDAERN CCO[C@@H](C)c1noc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)n1 ZINC000246731071 139119009 /nfs/dbraw/zinc/11/90/09/139119009.db2.gz JJLKBNNBDCADHQ-UONOGXRCSA-N 0 0 335.408 1.573 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1nnc2n1CCCC2 ZINC000173395414 284524850 /nfs/dbraw/zinc/52/48/50/284524850.db2.gz IBZCWDVULIDLNQ-ZDUSSCGKSA-N 0 0 348.451 1.157 10 0 EDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000246917627 139126766 /nfs/dbraw/zinc/12/67/66/139126766.db2.gz ISKNTNDFJWRRSY-UYAOXDASSA-N 0 0 343.471 1.660 10 0 EDAERN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000246997547 139130391 /nfs/dbraw/zinc/13/03/91/139130391.db2.gz LSIOZMKRTXENMX-NUJGCVRESA-N 0 0 348.491 1.921 10 0 EDAERN Cc1ccccc1CNC(=O)[C@@H](C)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247158132 139138127 /nfs/dbraw/zinc/13/81/27/139138127.db2.gz MDBYEMVXJPGLCA-SJLPKXTDSA-N 0 0 342.443 1.597 10 0 EDAERN C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000248368223 139160675 /nfs/dbraw/zinc/16/06/75/139160675.db2.gz UYBSLMIWMDLQLH-UPJWGTAASA-N 0 0 327.450 1.190 10 0 EDAERN COC(=O)C[C@H](C)C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091761219 218061492 /nfs/dbraw/zinc/06/14/92/218061492.db2.gz FCBSOCLCYVKDAI-NURSFMCSSA-N 0 0 327.327 1.798 10 0 EDAERN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091781705 218065385 /nfs/dbraw/zinc/06/53/85/218065385.db2.gz YTXLJPKUSHNNAE-NOZJJQNGSA-N 0 0 345.226 1.885 10 0 EDAERN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785187 218065811 /nfs/dbraw/zinc/06/58/11/218065811.db2.gz ATGQVNOMGBRTPB-IUODEOHRSA-N 0 0 334.416 1.464 10 0 EDAERN O=C(c1ccc(N2CC[C@@]3(C2)CCCNC3=O)nc1)N1CCCCC1 ZINC000091915060 218087972 /nfs/dbraw/zinc/08/79/72/218087972.db2.gz CKSDDMIDXLJDOG-LJQANCHMSA-N 0 0 342.443 1.814 10 0 EDAERN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3CN(C)CCO3)cc2F)n1 ZINC000112195860 220257960 /nfs/dbraw/zinc/25/79/60/220257960.db2.gz KPZFICABYGXQNL-OAHLLOKOSA-N 0 0 346.406 1.689 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)c1c(C)nn(C)c1C ZINC000249343741 139191396 /nfs/dbraw/zinc/19/13/96/139191396.db2.gz TYBYLPWCJKCFFB-MCIONIFRSA-N 0 0 347.415 1.552 10 0 EDAERN Cc1noc([C@H]2COCCN2C[C@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000249363825 139191711 /nfs/dbraw/zinc/19/17/11/139191711.db2.gz UAZBTENZOIYROM-LSDHHAIUSA-N 0 0 344.371 1.777 10 0 EDAERN CCCCN(C)S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249459756 139193578 /nfs/dbraw/zinc/19/35/78/139193578.db2.gz OQHOEZOWLCDPAJ-KBPBESRZSA-N 0 0 332.491 1.733 10 0 EDAERN COc1ccc(C[C@@H]2COCC[C@@H]2S(=O)(=O)NC(C)C)cc1 ZINC000095076276 218273985 /nfs/dbraw/zinc/27/39/85/218273985.db2.gz WHNLPJYVCFRASG-ZBFHGGJFSA-N 0 0 327.446 1.971 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)CC[C@H]3CC[C@@H](C)O3)C2=O)n(C)n1 ZINC000253550449 139206902 /nfs/dbraw/zinc/20/69/02/139206902.db2.gz RYBZMDRAOQRGOP-KFWWJZLASA-N 0 0 348.447 1.688 10 0 EDAERN NC(=O)c1ccc(=O)n(CCCc2nc(-c3cccs3)no2)n1 ZINC000095427880 218370445 /nfs/dbraw/zinc/37/04/45/218370445.db2.gz AAOCEQASZSOHBK-UHFFFAOYSA-N 0 0 331.357 1.087 10 0 EDAERN O=C(CN1C(=O)CCNC1=O)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000095503736 218418187 /nfs/dbraw/zinc/41/81/87/218418187.db2.gz MXADJBMCUMIKQQ-LLVKDONJSA-N 0 0 335.791 1.598 10 0 EDAERN C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000248413041 299533113 /nfs/dbraw/zinc/53/31/13/299533113.db2.gz KTJJYECEXLGHSQ-JXSMBQFASA-N 0 0 330.428 1.825 10 0 EDAERN Cc1ccccc1C[C@@H](CO)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000188252810 272955629 /nfs/dbraw/zinc/95/56/29/272955629.db2.gz FRNQXIUNMARLPC-LSDHHAIUSA-N 0 0 329.404 1.324 10 0 EDAERN O=C(NCc1ccncc1)[C@H]1CCC[C@@H]1C(=O)NCc1ccncc1 ZINC000152974124 224039758 /nfs/dbraw/zinc/03/97/58/224039758.db2.gz POCBNRUWCXRZMH-IRXDYDNUSA-N 0 0 338.411 1.826 10 0 EDAERN COc1cc(N)ccc1[S@](=O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000166203130 532953134 /nfs/dbraw/zinc/95/31/34/532953134.db2.gz QIWZNHLMTAFNRY-JGRMJRGVSA-N 0 0 331.459 1.741 10 0 EDAERN CCN(CCS(C)(=O)=O)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000152219895 284984404 /nfs/dbraw/zinc/98/44/04/284984404.db2.gz MFYDHMMDVOMVGY-HNNXBMFYSA-N 0 0 326.462 1.052 10 0 EDAERN COCCN=C1Nc2ccccc2CN[C@]12CCN(C(=O)C(C)C)C2 ZINC000065265742 285073754 /nfs/dbraw/zinc/07/37/54/285073754.db2.gz QFJJKGKNGLXCEM-IBGZPJMESA-N 0 0 344.459 1.683 10 0 EDAERN CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000263268756 139332238 /nfs/dbraw/zinc/33/22/38/139332238.db2.gz RVWQZKIORWRVOC-CQSZACIVSA-N 0 0 327.388 1.661 10 0 EDAERN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC000004899878 210316490 /nfs/dbraw/zinc/31/64/90/210316490.db2.gz JFOQWEKVEWTJOQ-GJZGRUSLSA-N 0 0 343.383 1.037 10 0 EDAERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112647329 220362555 /nfs/dbraw/zinc/36/25/55/220362555.db2.gz HKFZNHAPGNGFPM-YPMHNXCESA-N 0 0 337.424 1.258 10 0 EDAERN COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648451 220362837 /nfs/dbraw/zinc/36/28/37/220362837.db2.gz QKWJPWMQTRHMNU-ZFWWWQNUSA-N 0 0 328.416 1.987 10 0 EDAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112653547 220365139 /nfs/dbraw/zinc/36/51/39/220365139.db2.gz DGYIUQIXJHYPLJ-CQSZACIVSA-N 0 0 330.436 1.421 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccnc1N1CCCCC1 ZINC000112660237 220366961 /nfs/dbraw/zinc/36/69/61/220366961.db2.gz LXZCZLLJFSQAKX-CYBMUJFWSA-N 0 0 326.404 1.408 10 0 EDAERN C[C@@H](NC(=O)NCCNC(=O)c1c(F)cccc1F)[C@H]1CCCO1 ZINC000112715213 220384720 /nfs/dbraw/zinc/38/47/20/220384720.db2.gz VUJVZVCKSJWWSH-ZWNOBZJWSA-N 0 0 341.358 1.561 10 0 EDAERN Cc1csc(CCCCNC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000112748273 220397413 /nfs/dbraw/zinc/39/74/13/220397413.db2.gz NWSXXDPOVOSRAN-GFCCVEGCSA-N 0 0 334.449 1.680 10 0 EDAERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000112742535 220392104 /nfs/dbraw/zinc/39/21/04/220392104.db2.gz WEMHOZVEGBEQOK-CQSZACIVSA-N 0 0 343.435 1.334 10 0 EDAERN CC(=O)Nc1ccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112748846 220396891 /nfs/dbraw/zinc/39/68/91/220396891.db2.gz OZWVWVNVEVOXTC-HNNXBMFYSA-N 0 0 342.403 1.093 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H]1COc2ccccc21 ZINC000113384456 220531233 /nfs/dbraw/zinc/53/12/33/220531233.db2.gz XTEYKYRMLCSTKP-GFCCVEGCSA-N 0 0 326.418 1.633 10 0 EDAERN CC(C)(C)S(=O)(=O)CCNC(=O)N[C@H]1COc2ccccc21 ZINC000113384459 220531584 /nfs/dbraw/zinc/53/15/84/220531584.db2.gz XTEYKYRMLCSTKP-LBPRGKRZSA-N 0 0 326.418 1.633 10 0 EDAERN C[C@@H](NC(=O)NCC(=O)NCC1CC1)c1cccc(-n2ccnc2)c1 ZINC000181287421 533149912 /nfs/dbraw/zinc/14/99/12/533149912.db2.gz HKZDRIUJQZPRPW-CYBMUJFWSA-N 0 0 341.415 1.759 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)/C=C\c2ccc[nH]2)ncn1 ZINC000491973461 255157105 /nfs/dbraw/zinc/15/71/05/255157105.db2.gz PYOFEOWTHBLXJV-AFNCTOJWSA-N 0 0 326.404 1.645 10 0 EDAERN C[NH+](C)Cc1ccc(N2CCN(C(=O)/C=C\c3ccc[nH]3)CC2)nc1 ZINC000491981270 255157274 /nfs/dbraw/zinc/15/72/74/255157274.db2.gz WJYWCCMRGWLRPW-VURMDHGXSA-N 0 0 339.443 1.833 10 0 EDAERN COc1ccc([C@H](O)CNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177354344 533200300 /nfs/dbraw/zinc/20/03/00/533200300.db2.gz GEUNRRUDBHMKQH-ZIAGYGMSSA-N 0 0 331.376 1.154 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc43)C2)cn1 ZINC000116228994 220943374 /nfs/dbraw/zinc/94/33/74/220943374.db2.gz TZMQZOOUZGBPRO-LBPRGKRZSA-N 0 0 325.372 1.079 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)cc1 ZINC000116753430 220985572 /nfs/dbraw/zinc/98/55/72/220985572.db2.gz ISWJYZPKENHKKU-UHFFFAOYSA-N 0 0 339.399 1.462 10 0 EDAERN CCn1cnnc1C1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC000116753957 220986166 /nfs/dbraw/zinc/98/61/66/220986166.db2.gz QAPBPXZYXJBBGA-UHFFFAOYSA-N 0 0 341.415 1.951 10 0 EDAERN CC(C)COc1ccc(NC(=O)NC[C@@H](C)N2CCOCC2)cn1 ZINC000117008589 221021722 /nfs/dbraw/zinc/02/17/22/221021722.db2.gz RYKNSCRVPRNGPP-CQSZACIVSA-N 0 0 336.436 1.959 10 0 EDAERN COCCN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000117425457 221061426 /nfs/dbraw/zinc/06/14/26/221061426.db2.gz DULOAONZJWTKPA-AWEZNQCLSA-N 0 0 328.416 1.869 10 0 EDAERN O=C1CCCN1C[C@H](O)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117432595 221063518 /nfs/dbraw/zinc/06/35/18/221063518.db2.gz OPHKXKUUMJAGPS-SECBINFHSA-N 0 0 348.287 1.786 10 0 EDAERN CCOCCN1CCN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C ZINC000117275706 221042208 /nfs/dbraw/zinc/04/22/08/221042208.db2.gz MLOZRHHXCQMQSO-OAHLLOKOSA-N 0 0 327.469 1.251 10 0 EDAERN COCCN1CCN(C(=O)CCNC(=O)c2cccs2)C[C@H]1C ZINC000117288058 221045022 /nfs/dbraw/zinc/04/50/22/221045022.db2.gz LMVWROUNRRQMPE-CYBMUJFWSA-N 0 0 339.461 1.047 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(N3CCCC3)nc2)C[C@H]1C ZINC000117296682 221047101 /nfs/dbraw/zinc/04/71/01/221047101.db2.gz SUUMRODXGNDKME-OAHLLOKOSA-N 0 0 332.448 1.475 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCN1CCOC ZINC000117309689 221051182 /nfs/dbraw/zinc/05/11/82/221051182.db2.gz OAVWXAWJXMUCAN-MRXNPFEDSA-N 0 0 343.431 1.450 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cnc1Cl ZINC000117365967 221057586 /nfs/dbraw/zinc/05/75/86/221057586.db2.gz XLUKASVBPFQSAW-LLVKDONJSA-N 0 0 340.836 1.955 10 0 EDAERN COCCN1CCN(C(=O)NCc2ccc(Cl)nc2)C[C@H]1C ZINC000117482034 221070009 /nfs/dbraw/zinc/07/00/09/221070009.db2.gz YVLAKFUVEYQCFQ-GFCCVEGCSA-N 0 0 326.828 1.597 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(CC)c2)C[C@H]1C ZINC000117521997 221072934 /nfs/dbraw/zinc/07/29/34/221072934.db2.gz JWOYERQWNTZSDV-OAHLLOKOSA-N 0 0 347.459 1.757 10 0 EDAERN COCCN1CCN(C(=O)NCCCOc2ccccc2)C[C@H]1C ZINC000117472648 221066780 /nfs/dbraw/zinc/06/67/80/221066780.db2.gz GGOFCKGGXRWPOX-MRXNPFEDSA-N 0 0 335.448 1.818 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000117811029 221092280 /nfs/dbraw/zinc/09/22/80/221092280.db2.gz GSAYCSZKDYTSRT-UHFFFAOYSA-N 0 0 340.383 1.271 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000117816631 221093001 /nfs/dbraw/zinc/09/30/01/221093001.db2.gz ZQNBAVYGCWNPRZ-UHFFFAOYSA-N 0 0 348.428 1.161 10 0 EDAERN COc1cc(CC(=O)NCCn2cc(C)cn2)cc(OC)c1OC ZINC000117819005 221093147 /nfs/dbraw/zinc/09/31/47/221093147.db2.gz JHJYPMLHBFOHER-UHFFFAOYSA-N 0 0 333.388 1.576 10 0 EDAERN CC(=O)Nc1cccc(NC(=O)C(=O)NCCn2cc(C)cn2)c1C ZINC000118134140 221128536 /nfs/dbraw/zinc/12/85/36/221128536.db2.gz RALWUWKXDRNZLA-UHFFFAOYSA-N 0 0 343.387 1.213 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000118115237 221120357 /nfs/dbraw/zinc/12/03/57/221120357.db2.gz GMQPMMSMDPNLJK-SNVBAGLBSA-N 0 0 346.214 1.379 10 0 EDAERN CO[C@H](C(=O)N[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000118668967 221166993 /nfs/dbraw/zinc/16/69/93/221166993.db2.gz UKWPNFDCBCNEQL-WBVHZDCISA-N 0 0 326.400 1.949 10 0 EDAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C1 ZINC000119169903 221257965 /nfs/dbraw/zinc/25/79/65/221257965.db2.gz OFPIMDXMLFGUAG-HOTGVXAUSA-N 0 0 346.475 1.850 10 0 EDAERN Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@H]1CCCC[C@H]1O ZINC000119269457 221281499 /nfs/dbraw/zinc/28/14/99/221281499.db2.gz UQZXRUSQFSPJEO-LSDHHAIUSA-N 0 0 334.420 1.652 10 0 EDAERN COc1ccncc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000119611624 221360382 /nfs/dbraw/zinc/36/03/82/221360382.db2.gz HXXKDJJOLFWHOI-UHFFFAOYSA-N 0 0 343.387 1.164 10 0 EDAERN C[C@H]1COC[C@H](C)N1C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000155027918 224346004 /nfs/dbraw/zinc/34/60/04/224346004.db2.gz CSNFMCBTEXPUOE-QWRGUYRKSA-N 0 0 342.342 1.654 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn2ccc(C)nc12 ZINC000155072166 224353399 /nfs/dbraw/zinc/35/33/99/224353399.db2.gz SVRZQEQZYQFNBS-LBPRGKRZSA-N 0 0 341.375 1.041 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000155323899 224398085 /nfs/dbraw/zinc/39/80/85/224398085.db2.gz JOXWOANGLNFOJP-IUODEOHRSA-N 0 0 349.435 1.023 10 0 EDAERN Cn1cc(C[C@@H]2[C@@H](N3CCOCC3)CCN2C(=O)c2ccco2)cn1 ZINC000248122791 257664005 /nfs/dbraw/zinc/66/40/05/257664005.db2.gz KOELXAJDIBLBNN-JKSUJKDBSA-N 0 0 344.415 1.171 10 0 EDAERN Cc1cc(CN2Cc3cccn3C[C@@H](OCC(=O)N(C)C)C2)no1 ZINC000248037536 257668072 /nfs/dbraw/zinc/66/80/72/257668072.db2.gz VBOPREDWVVEWIR-INIZCTEOSA-N 0 0 332.404 1.274 10 0 EDAERN CCN1CCO[C@H](C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000246370683 285359846 /nfs/dbraw/zinc/35/98/46/285359846.db2.gz HIPXOYDNDQMHLR-GJZGRUSLSA-N 0 0 347.463 1.389 10 0 EDAERN COCCCS(=O)(=O)NCCN1CCCC[C@H]1c1nccs1 ZINC000175146568 533300864 /nfs/dbraw/zinc/30/08/64/533300864.db2.gz ZUTBSIIKKMZMDK-ZDUSSCGKSA-N 0 0 347.506 1.626 10 0 EDAERN COC(=O)[C@H](NC[C@H]1CCCO1)c1cncc(Br)c1 ZINC000166195606 533339292 /nfs/dbraw/zinc/33/92/92/533339292.db2.gz CYRAZVVYTIBIOY-VXGBXAGGSA-N 0 0 329.194 1.827 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000162740045 533391017 /nfs/dbraw/zinc/39/10/17/533391017.db2.gz SIVSRZOTELVHNY-LLVKDONJSA-N 0 0 344.289 1.808 10 0 EDAERN COc1c(C)cc(S(=O)(=O)NCCCc2cnn(C)c2)cc1C ZINC000171244152 533400041 /nfs/dbraw/zinc/40/00/41/533400041.db2.gz UPVJTYFFTHJYKE-UHFFFAOYSA-N 0 0 337.445 1.957 10 0 EDAERN COc1ccc(C2=C(N3C[C@@H](C)O[C@@H](C)C3)C(=O)N(C)C2=O)cc1 ZINC000170028300 533428801 /nfs/dbraw/zinc/42/88/01/533428801.db2.gz NSJBRJWTYVSBNU-TXEJJXNPSA-N 0 0 330.384 1.514 10 0 EDAERN CS(=O)(=O)c1cccnc1-n1cc(I)cn1 ZINC000168517710 533465300 /nfs/dbraw/zinc/46/53/00/533465300.db2.gz JIJCIGJWLBTYJJ-UHFFFAOYSA-N 0 0 349.153 1.275 10 0 EDAERN COc1ccc(CCCC(=O)N[C@@H]2CCc3ncnn3C2)c(OC)c1 ZINC000154564809 533466378 /nfs/dbraw/zinc/46/63/78/533466378.db2.gz OUYMUPWXYJXGDP-CQSZACIVSA-N 0 0 344.415 1.749 10 0 EDAERN C[C@@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(F)c(F)c1 ZINC000181636967 533470995 /nfs/dbraw/zinc/47/09/95/533470995.db2.gz AMDJMUKRAOPXTQ-MRVPVSSYSA-N 0 0 349.341 1.089 10 0 EDAERN COc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1F ZINC000184630629 533578306 /nfs/dbraw/zinc/57/83/06/533578306.db2.gz BPVGBQPKNWWLJF-FZMZJTMJSA-N 0 0 338.379 1.749 10 0 EDAERN CSCCN(C)S(=O)(=O)c1cc(F)c(Cl)c(CO)c1 ZINC000168496757 533579724 /nfs/dbraw/zinc/57/97/24/533579724.db2.gz JODGMUPTWUYDFB-UHFFFAOYSA-N 0 0 327.830 1.955 10 0 EDAERN Cc1ccsc1CCNC(=O)c1cnc(N2CCOCC2)nc1 ZINC000015777979 135708359 /nfs/dbraw/zinc/70/83/59/135708359.db2.gz RUQKTLVZPQHWBA-UHFFFAOYSA-N 0 0 332.429 1.656 10 0 EDAERN Cc1ccc(Br)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091780469 292042912 /nfs/dbraw/zinc/04/29/12/292042912.db2.gz ISGVRLBIPNWRIW-NSHDSACASA-N 0 0 327.178 1.084 10 0 EDAERN CC(C)[C@@H]1N(C(=O)c2cn(C)nc2-c2cnn(C)c2)C[C@@]12CCCO2 ZINC000329340394 140710002 /nfs/dbraw/zinc/71/00/02/140710002.db2.gz RPRVXQRUSFGQLO-WMZOPIPTSA-N 0 0 343.431 1.850 10 0 EDAERN C[C@H]1OCC[C@]12CN(C(=O)NCCC1CCOCC1)C[C@@H](C)O2 ZINC000333148578 141272393 /nfs/dbraw/zinc/27/23/93/141272393.db2.gz AFWKDEQOKZAUPT-CPUCHLNUSA-N 0 0 326.437 1.781 10 0 EDAERN C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)N1CCCCC1=O ZINC000333290434 141293550 /nfs/dbraw/zinc/29/35/50/141293550.db2.gz AIEYKPNDVHUPMD-LLVKDONJSA-N 0 0 343.383 1.642 10 0 EDAERN CN(C)c1cnc(C(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)cn1 ZINC000333309708 141297055 /nfs/dbraw/zinc/29/70/55/141297055.db2.gz VDBYNNTZUVYXNO-KRWDZBQOSA-N 0 0 334.420 1.343 10 0 EDAERN Cc1cccc2nc(CN3C[C@@H](C)OC4(CCOCC4)C3)cc(=O)n12 ZINC000333349866 141303736 /nfs/dbraw/zinc/30/37/36/141303736.db2.gz VNZXEUODRCQMQK-OAHLLOKOSA-N 0 0 343.427 1.773 10 0 EDAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc2c(n1)CCCC2 ZINC000333523045 141331385 /nfs/dbraw/zinc/33/13/85/141331385.db2.gz KYPLFGGQDTVOLD-CHWSQXEVSA-N 0 0 338.477 1.875 10 0 EDAERN CC(=O)N1CCC(CNC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)CC1 ZINC000333703588 141361807 /nfs/dbraw/zinc/36/18/07/141361807.db2.gz FFQZVVHIMHAFIR-SJLPKXTDSA-N 0 0 337.464 1.844 10 0 EDAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000333731993 141368201 /nfs/dbraw/zinc/36/82/01/141368201.db2.gz PUNSBWGZZZJRGB-DZGCQCFKSA-N 0 0 345.451 1.525 10 0 EDAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1cc(N(C)C)ncn1 ZINC000333840385 141392048 /nfs/dbraw/zinc/39/20/48/141392048.db2.gz NJGDMFMDDOBAPK-CHWSQXEVSA-N 0 0 326.404 1.649 10 0 EDAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C12CCCC2 ZINC000246838717 286328722 /nfs/dbraw/zinc/32/87/22/286328722.db2.gz CGVUBFCTXNCLPR-SOUVJXGZSA-N 0 0 337.464 1.973 10 0 EDAERN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CC[C@@H](N2CCOCC2)C1 ZINC000253545185 304393965 /nfs/dbraw/zinc/39/39/65/304393965.db2.gz GFLSOEQNOFEKOP-IMFGXOCKSA-N 0 0 326.440 1.824 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)C12CCOCC2 ZINC000187063638 286525729 /nfs/dbraw/zinc/52/57/29/286525729.db2.gz YIZWQMIBMCSEDC-KBPBESRZSA-N 0 0 340.464 1.629 10 0 EDAERN O=C(c1cc2ccccc2c(=O)[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000371806961 156112825 /nfs/dbraw/zinc/11/28/25/156112825.db2.gz RQXOOZLVQNPKDJ-CQSZACIVSA-N 0 0 327.384 1.487 10 0 EDAERN CCc1cnc(CN(C(C)=O)[C@@H]2CCN(C(=O)c3ncoc3C)C2)o1 ZINC000378170631 158098888 /nfs/dbraw/zinc/09/88/88/158098888.db2.gz NIRRUZHLMRITAE-CYBMUJFWSA-N 0 0 346.387 1.797 10 0 EDAERN CSc1nc(C(=O)N[C@@H]2CCCn3ncnc32)c2ccccn21 ZINC000177605262 286734226 /nfs/dbraw/zinc/73/42/26/286734226.db2.gz ZFSDTKYFOYRAOI-SNVBAGLBSA-N 0 0 328.401 1.913 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000076253954 287281041 /nfs/dbraw/zinc/28/10/41/287281041.db2.gz WDLIJMDXHVXJFX-OAHLLOKOSA-N 0 0 342.399 1.244 10 0 EDAERN C[C@@H]1OCC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl ZINC000157113432 224773290 /nfs/dbraw/zinc/77/32/90/224773290.db2.gz PUCWAJWGWBWADR-WKEGUHRASA-N 0 0 336.772 1.034 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000158566531 225043577 /nfs/dbraw/zinc/04/35/77/225043577.db2.gz RNGGPMPEDVQVQL-JSGCOSHPSA-N 0 0 344.371 1.342 10 0 EDAERN Cc1cc(CO)cc(S(=O)(=O)NCC(F)F)c1Br ZINC000158635346 225057280 /nfs/dbraw/zinc/05/72/80/225057280.db2.gz KKBUDNFLCBMRKG-UHFFFAOYSA-N 0 0 344.177 1.793 10 0 EDAERN C[C@H]([C@H](C)NC(=O)N1CCC(c2ccnn2C)CC1)N1CCOCC1 ZINC000159211544 225171021 /nfs/dbraw/zinc/17/10/21/225171021.db2.gz LSENYQIPXLFSEK-LSDHHAIUSA-N 0 0 349.479 1.418 10 0 EDAERN Cn1cc([C@@H](N)C(=O)Nc2ccc(F)c(Br)c2)cn1 ZINC000164042342 226039507 /nfs/dbraw/zinc/03/95/07/226039507.db2.gz HONMGFIZTKPISC-LLVKDONJSA-N 0 0 327.157 1.960 10 0 EDAERN C[C@H]1CCC[C@@H](C[NH3+])N1c1nc[n-]c(=O)c1I ZINC000164341804 226067331 /nfs/dbraw/zinc/06/73/31/226067331.db2.gz TWUAZLFYOOAGFB-YUMQZZPRSA-N 0 0 348.188 1.081 10 0 EDAERN Nc1ccc(Br)cc1[S@](=O)[C@H]1CCS(=O)(=O)C1 ZINC000167118460 226180030 /nfs/dbraw/zinc/18/00/30/226180030.db2.gz NLXHECZFOVEXLF-PWJLMRLQSA-N 0 0 338.248 1.326 10 0 EDAERN CS(=O)(=O)CC[C@H](N)C(=O)Cc1ccccc1Br ZINC000167096473 226180911 /nfs/dbraw/zinc/18/09/11/226180911.db2.gz QWTLAKASUQKYAN-NSHDSACASA-N 0 0 334.235 1.323 10 0 EDAERN CN(C)C(=O)CCS(=O)(=O)c1cc(Br)ccc1N ZINC000167149634 226182705 /nfs/dbraw/zinc/18/27/05/226182705.db2.gz WIFYYICPKRCDSD-UHFFFAOYSA-N 0 0 335.223 1.283 10 0 EDAERN COCC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000165102181 226110154 /nfs/dbraw/zinc/11/01/54/226110154.db2.gz GWJAHQTWAQCJFF-ZETCQYMHSA-N 0 0 338.788 1.281 10 0 EDAERN Cc1c(N)cnc(N2CCC[C@H]2C(=O)N(C)C)c1Br ZINC000165474327 226124732 /nfs/dbraw/zinc/12/47/32/226124732.db2.gz AKQRIYRUUREQTC-JTQLQIEISA-N 0 0 327.226 1.792 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)c1nnc2n1CCCC2 ZINC000165552951 226127700 /nfs/dbraw/zinc/12/77/00/226127700.db2.gz PLPJTWMYQOFZJN-VIFPVBQESA-N 0 0 349.341 1.709 10 0 EDAERN [NH3+][C@H]1CCCC[C@@H]1Nc1nc[n-]c(=O)c1I ZINC000166015625 226144500 /nfs/dbraw/zinc/14/45/00/226144500.db2.gz JUTOFWZVWDZIPW-BQBZGAKWSA-N 0 0 334.161 1.056 10 0 EDAERN Nc1ccc(Br)cc1[S@](=O)CCC(=O)NC1CC1 ZINC000166298426 226153076 /nfs/dbraw/zinc/15/30/76/226153076.db2.gz CXSOBPLQEHRDDS-SFHVURJKSA-N 0 0 331.235 1.808 10 0 EDAERN C[C@H](O)[C@@H]1CCN(S(=O)(=O)CCSc2ccc(N)cc2)C1 ZINC000167585865 226193887 /nfs/dbraw/zinc/19/38/87/226193887.db2.gz JBVUPDNYJWMZAR-NWDGAFQWSA-N 0 0 330.475 1.393 10 0 EDAERN O=C(c1cc(Br)ccc1Cl)N1CCOC[C@@H]1CO ZINC000168175973 226209924 /nfs/dbraw/zinc/20/99/24/226209924.db2.gz LIEZRPSBBBMJMN-VIFPVBQESA-N 0 0 334.597 1.936 10 0 EDAERN Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)ccc1=O ZINC000168507299 226217578 /nfs/dbraw/zinc/21/75/78/226217578.db2.gz WEEKHKJEOVRXAO-LBPRGKRZSA-N 0 0 325.290 1.684 10 0 EDAERN NC(=S)c1c(Br)cccc1N1CCOC[C@@H]1CO ZINC000168807558 226223675 /nfs/dbraw/zinc/22/36/75/226223675.db2.gz ZGSGSTILGVCCRH-QMMMGPOBSA-N 0 0 331.235 1.281 10 0 EDAERN C[C@@H]1C(=O)NC(C)(C)C(=O)N1Cc1ccc(Br)cn1 ZINC000168885725 226226245 /nfs/dbraw/zinc/22/62/45/226226245.db2.gz RMHUCLQPAKIBRP-MRVPVSSYSA-N 0 0 326.194 1.470 10 0 EDAERN Cc1ccc(C2=C(N3CCC[C@H](CO)C3)C(=O)N(C)C2=O)c(C)c1 ZINC000170093595 226606784 /nfs/dbraw/zinc/60/67/84/226606784.db2.gz YWLCBHCXNQJRSD-AWEZNQCLSA-N 0 0 328.412 1.717 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000171466679 227096036 /nfs/dbraw/zinc/09/60/36/227096036.db2.gz YGGDJABDBDIPSN-IUODEOHRSA-N 0 0 334.347 1.730 10 0 EDAERN CCC[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000122187217 222033798 /nfs/dbraw/zinc/03/37/98/222033798.db2.gz NVJDRUOSBIJRIM-TZMCWYRMSA-N 0 0 332.404 1.324 10 0 EDAERN COc1cc(CN2CCO[C@H](Cn3cccn3)C2)cc(OC)c1OC ZINC000122293010 222055164 /nfs/dbraw/zinc/05/51/64/222055164.db2.gz IGYCQXZBYCKMCM-HNNXBMFYSA-N 0 0 347.415 1.810 10 0 EDAERN CC(C)[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)N1CCCC1=O ZINC000123342365 222260059 /nfs/dbraw/zinc/26/00/59/222260059.db2.gz XAJZENCVAQOGLN-NVXWUHKLSA-N 0 0 331.416 1.708 10 0 EDAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123355769 222262238 /nfs/dbraw/zinc/26/22/38/222262238.db2.gz XPKUUNCLRZXZHF-AWEZNQCLSA-N 0 0 328.372 1.295 10 0 EDAERN CN(C(=O)NCc1cccnc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000171551435 227136353 /nfs/dbraw/zinc/13/63/53/227136353.db2.gz FKWWGISJAXCGNW-HNNXBMFYSA-N 0 0 326.404 1.682 10 0 EDAERN CCn1c(C)nnc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171561631 227141385 /nfs/dbraw/zinc/14/13/85/227141385.db2.gz FVOCDNHVUFYJDL-KRWDZBQOSA-N 0 0 329.448 1.458 10 0 EDAERN CN(C)C(=O)[C@H](c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171606437 227169486 /nfs/dbraw/zinc/16/94/86/227169486.db2.gz CBEILCCARSGMNS-IRXDYDNUSA-N 0 0 328.416 1.413 10 0 EDAERN Cc1nn(C)c2ncc(CN3CCO[C@@H](Cn4cccn4)C3)cc12 ZINC000171607374 227170217 /nfs/dbraw/zinc/17/02/17/227170217.db2.gz LRUPWBFXBQDHLR-OAHLLOKOSA-N 0 0 326.404 1.374 10 0 EDAERN Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000171618397 227179203 /nfs/dbraw/zinc/17/92/03/227179203.db2.gz NLBMVAISQIRXBZ-WMZOPIPTSA-N 0 0 341.459 1.971 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCC(C)(C)C(=O)NCC)C1 ZINC000131332224 287509086 /nfs/dbraw/zinc/50/90/86/287509086.db2.gz ACOZWBINVWAUET-CYBMUJFWSA-N 0 0 340.468 1.239 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](C)N2CCOCC2)C1(CC)CC ZINC000175771333 267553603 /nfs/dbraw/zinc/55/36/03/267553603.db2.gz OWZLPWHWJMTGBZ-BZUAXINKSA-N 0 0 341.496 1.990 10 0 EDAERN O=C(CCNS(=O)(=O)c1ccccc1)NC[C@H]1CCCC[C@H]1O ZINC000077160754 272915837 /nfs/dbraw/zinc/91/58/37/272915837.db2.gz ZDIIFBDLKNSVEU-UKRRQHHQSA-N 0 0 340.445 1.022 10 0 EDAERN CCCNC(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000158108971 287690369 /nfs/dbraw/zinc/69/03/69/287690369.db2.gz UARSRPXGAYWMQX-WMLDXEAASA-N 0 0 349.406 1.378 10 0 EDAERN O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1cccc(Cl)c1 ZINC000246157368 275027852 /nfs/dbraw/zinc/02/78/52/275027852.db2.gz IGRLGXAQULFDMA-SJORKVTESA-N 0 0 349.862 1.852 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000113595931 279122716 /nfs/dbraw/zinc/12/27/16/279122716.db2.gz HAFIXEMULZGXQE-MGPQQGTHSA-N 0 0 335.514 1.426 10 0 EDAERN C[C@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)N1CCSCC1 ZINC000152266744 279189259 /nfs/dbraw/zinc/18/92/59/279189259.db2.gz IKRXGDJLDSHWHT-CQSZACIVSA-N 0 0 349.504 1.341 10 0 EDAERN CC(C)N(CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000123085308 279415203 /nfs/dbraw/zinc/41/52/03/279415203.db2.gz FLXGFOAHPUNQDP-CZUORRHYSA-N 0 0 335.379 1.067 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NCC2([S@](C)=O)CCC2)C[C@@]12CCCO2 ZINC000334000620 280044638 /nfs/dbraw/zinc/04/46/38/280044638.db2.gz RLINWUPARLGRTR-ODIUBACGSA-N 0 0 328.478 1.887 10 0 EDAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C[C@]12CCCO2 ZINC000333616393 280051067 /nfs/dbraw/zinc/05/10/67/280051067.db2.gz OXKJXSAHSUDAQE-DHSIGJKJSA-N 0 0 337.464 1.985 10 0 EDAERN CC(C)[C@H]1N(C(=O)CS(=O)(=O)C2CCCC2)C[C@]12CCCO2 ZINC000329456730 280449609 /nfs/dbraw/zinc/44/96/09/280449609.db2.gz NMNXQIVUHVZMKN-HZPDHXFCSA-N 0 0 329.462 1.760 10 0 EDAERN NS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(C1CCCCC1)C2=O ZINC000005784225 295287435 /nfs/dbraw/zinc/28/74/35/295287435.db2.gz TXIGQWQDDHQHSS-UHFFFAOYSA-N 0 0 342.804 1.916 10 0 EDAERN O=C(c1ccc(F)cc1)N1[C@H](C(=O)N2CC(O)C2)C[C@H]2CCCC[C@@H]21 ZINC000108459527 304520992 /nfs/dbraw/zinc/52/09/92/304520992.db2.gz CBTGQOBWGLNVPI-COXVUDFISA-N 0 0 346.402 1.802 10 0 EDAERN C[C@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)N1CCOCC1 ZINC000333131746 298025171 /nfs/dbraw/zinc/02/51/71/298025171.db2.gz ITMCFKZWPCGUIR-CABCVRRESA-N 0 0 347.463 1.389 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(C(=O)[O-])c1C ZINC000248869423 301386071 /nfs/dbraw/zinc/38/60/71/301386071.db2.gz JIHKQLOQRVQKFZ-ZDUSSCGKSA-N 0 0 338.429 1.470 10 0 EDAERN NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccccc1)NC2=O ZINC000000000305 303442753 /nfs/dbraw/zinc/44/27/53/303442753.db2.gz DBDTUXMDTSTPQZ-CYBMUJFWSA-N 0 0 337.788 1.842 10 0 world EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N[C@H]2CC[C@H](OC)C2)cn1 ZINC000332787362 303779361 /nfs/dbraw/zinc/77/93/61/303779361.db2.gz WLMWKBIWQJUUQX-RZLSGREXSA-N 0 0 335.404 1.787 10 0 EDAERN CC(C)CS(=O)(=O)CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000044364160 440840487 /nfs/dbraw/zinc/84/04/87/440840487.db2.gz DQXNKRIXQQWXPH-MRXNPFEDSA-N 0 0 340.489 1.866 10 0 EDAERN COC(=O)CSc1nnc(N)n1CC(=O)Nc1ccc(C)cc1 ZINC000001923455 440854192 /nfs/dbraw/zinc/85/41/92/440854192.db2.gz JESZCFYXMCRPLE-UHFFFAOYSA-N 0 0 335.389 1.073 10 0 EDAERN O=C(Cc1ccc2c(c1)OCc1ccccc1C2=O)OC[C@@H](O)CO ZINC000002000401 440855857 /nfs/dbraw/zinc/85/58/57/440855857.db2.gz MLBJASFXUVNGLK-AWEZNQCLSA-N 0 0 342.347 1.249 10 0 EDAERN CN(C)c1cccc(NC(=S)N[C@]2(C)CCS(=O)(=O)C2)c1 ZINC000005612211 440961426 /nfs/dbraw/zinc/96/14/26/440961426.db2.gz FJIHSPPXLVXKED-CQSZACIVSA-N 0 0 327.475 1.616 10 0 EDAERN CCCNC(=O)Cn1nc(C)n2c(cc3cc(OC)ccc32)c1=O ZINC000006749852 441012109 /nfs/dbraw/zinc/01/21/09/441012109.db2.gz UEJMKRGAAXNMHS-UHFFFAOYSA-N 0 0 328.372 1.492 10 0 EDAERN CC(C)[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Nc1ccccc1 ZINC000104797447 441210612 /nfs/dbraw/zinc/21/06/12/441210612.db2.gz DAYYCYHKHSLLIM-IRXDYDNUSA-N 0 0 334.464 1.753 10 0 EDAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000105282027 441247571 /nfs/dbraw/zinc/24/75/71/441247571.db2.gz XPAKWKKNYATNLQ-HNNXBMFYSA-N 0 0 346.431 1.339 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000081360087 441257277 /nfs/dbraw/zinc/25/72/77/441257277.db2.gz OYDASEBILFHNMV-AWEZNQCLSA-N 0 0 328.478 1.983 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)c3ccc(Cl)nc3)CC2)cn1 ZINC000105825963 441281096 /nfs/dbraw/zinc/28/10/96/441281096.db2.gz XWWYRCHWMHBYKY-UHFFFAOYSA-N 0 0 333.823 1.817 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C ZINC000105833403 441285896 /nfs/dbraw/zinc/28/58/96/441285896.db2.gz VJBGUPQYZBGLAD-QZTJIDSGSA-N 0 0 347.503 1.994 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)CCn3cncn3)CC2)cn1 ZINC000105833719 441286293 /nfs/dbraw/zinc/28/62/93/441286293.db2.gz WZCMCJZUIWENBN-UHFFFAOYSA-N 0 0 345.451 1.009 10 0 EDAERN COCCN1CCN(CC(=O)Nc2cc(F)ccc2F)C[C@@H]1C ZINC000105831939 441286405 /nfs/dbraw/zinc/28/64/05/441286405.db2.gz NSQLCKLVVGUASO-LBPRGKRZSA-N 0 0 327.375 1.556 10 0 EDAERN CC[S@@](=O)c1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105853782 441291770 /nfs/dbraw/zinc/29/17/70/441291770.db2.gz LAJKSEKVHHSFKL-NPMABZOXSA-N 0 0 332.429 1.883 10 0 EDAERN CCOc1cc(C)nc(N2CCN(CCOCC(F)(F)F)CC2)n1 ZINC000106153455 441327964 /nfs/dbraw/zinc/32/79/64/441327964.db2.gz DGQHWYHBBFNWEP-UHFFFAOYSA-N 0 0 348.369 1.885 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC000106394057 441337062 /nfs/dbraw/zinc/33/70/62/441337062.db2.gz BYGHBSOLYOZJEB-HNNXBMFYSA-N 0 0 345.443 1.634 10 0 EDAERN Cn1cc(CN2CCCN(Cc3nc(C(C)(C)C)no3)CC2)cn1 ZINC000105869747 441300139 /nfs/dbraw/zinc/30/01/39/441300139.db2.gz VTPHVNPVOPCCTG-UHFFFAOYSA-N 0 0 332.452 1.809 10 0 EDAERN Cn1cc(CN2CCCN(CC(=O)NC(C3CC3)C3CC3)CC2)cn1 ZINC000105869629 441300496 /nfs/dbraw/zinc/30/04/96/441300496.db2.gz HJMLHVZRDOEICE-UHFFFAOYSA-N 0 0 345.491 1.233 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C[C@H](O)COC(C)(C)C)CC2)n1 ZINC000105894195 441311201 /nfs/dbraw/zinc/31/12/01/441311201.db2.gz FIFADLBIYWEEEU-KBPBESRZSA-N 0 0 340.468 1.487 10 0 EDAERN C[NH+](C)C[C@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)CCO1 ZINC000105924839 441318003 /nfs/dbraw/zinc/31/80/03/441318003.db2.gz FGXZGGKPJMSISZ-PKOBYXMFSA-N 0 0 345.487 1.833 10 0 EDAERN CNS(=O)(=O)CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000083067180 441349740 /nfs/dbraw/zinc/34/97/40/441349740.db2.gz SSNTUQZZPOYWRX-QMMMGPOBSA-N 0 0 335.223 1.176 10 0 EDAERN COc1nccnc1N1CC[C@@H](NC(=O)COc2ccccc2C)C1 ZINC000065268678 441412507 /nfs/dbraw/zinc/41/25/07/441412507.db2.gz UPGMZORTZBHVKX-CQSZACIVSA-N 0 0 342.399 1.568 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1F ZINC000028436192 441433006 /nfs/dbraw/zinc/43/30/06/441433006.db2.gz KUVQXKCWIJKSRP-HNNXBMFYSA-N 0 0 342.436 1.689 10 0 EDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(C)(C)O ZINC000075237915 441512481 /nfs/dbraw/zinc/51/24/81/441512481.db2.gz CYPNNTDAPIFHJR-CYBMUJFWSA-N 0 0 326.824 1.982 10 0 EDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccn(C)c2=O)cc1F ZINC000088825983 441525102 /nfs/dbraw/zinc/52/51/02/441525102.db2.gz SYRSPFQZCKIHBQ-LLVKDONJSA-N 0 0 331.347 1.649 10 0 EDAERN Cc1cnn(CCC(=O)N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000110946985 441525592 /nfs/dbraw/zinc/52/55/92/441525592.db2.gz XBDRVZCLDABXLV-UHFFFAOYSA-N 0 0 332.408 1.008 10 0 EDAERN CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]2C)ccc1Cl ZINC000075526278 441530549 /nfs/dbraw/zinc/53/05/49/441530549.db2.gz PMRURTQUJFWWAG-KCJUWKMLSA-N 0 0 332.809 1.660 10 0 EDAERN O=C(CN1CCCN(Cc2noc(C3CC3)n2)CC1)NC1CCCC1 ZINC000075603286 441538437 /nfs/dbraw/zinc/53/84/37/441538437.db2.gz PQVQWAFITWSZIW-UHFFFAOYSA-N 0 0 347.463 1.514 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000076099892 441598358 /nfs/dbraw/zinc/59/83/58/441598358.db2.gz XSMNFGMGOWBOAP-GXFFZTMASA-N 0 0 337.807 1.640 10 0 EDAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3ncccc3O)CC2)cn1 ZINC000113992192 441630172 /nfs/dbraw/zinc/63/01/72/441630172.db2.gz MTWPXUAPMXGUSS-UHFFFAOYSA-N 0 0 343.431 1.697 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc(C)on2)ncn1 ZINC000173418296 441744163 /nfs/dbraw/zinc/74/41/63/441744163.db2.gz ATEXWAZFMKIKQB-CYBMUJFWSA-N 0 0 330.392 1.142 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3cc(F)ccc3F)CCO2)c1 ZINC000173353935 441721837 /nfs/dbraw/zinc/72/18/37/441721837.db2.gz XVTJFMOIQWRASP-OAHLLOKOSA-N 0 0 335.354 1.940 10 0 EDAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1c(Cl)nc2ccccn21 ZINC000158316520 441723678 /nfs/dbraw/zinc/72/36/78/441723678.db2.gz QRPJTDIZBVFRGY-GHMZBOCLSA-N 0 0 343.836 1.817 10 0 EDAERN C[C@H](NC(=O)c1cc(I)c[nH]1)[C@@H]1CCCO1 ZINC000115332134 441726796 /nfs/dbraw/zinc/72/67/96/441726796.db2.gz RCBMKQGKXKEDPC-XVKPBYJWSA-N 0 0 334.157 1.917 10 0 EDAERN CC(C)Cc1nnc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000137492866 441772167 /nfs/dbraw/zinc/77/21/67/441772167.db2.gz OYHOCNDJPPLEAW-LBPRGKRZSA-N 0 0 348.476 1.898 10 0 EDAERN CC(C)C[C@@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092228804 441780039 /nfs/dbraw/zinc/78/00/39/441780039.db2.gz MQTYUMOIAUZBRM-HZPDHXFCSA-N 0 0 333.432 1.076 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3cnc(C)nc3C(C)C)CCO2)[nH]1 ZINC000173538540 441783623 /nfs/dbraw/zinc/78/36/23/441783623.db2.gz NITDFYDFQOVJNO-ZDUSSCGKSA-N 0 0 330.392 1.549 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)cn1 ZINC000116115988 441794542 /nfs/dbraw/zinc/79/45/42/441794542.db2.gz YIWMPVOMEVXOJG-CZUORRHYSA-N 0 0 325.368 1.518 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3sc(C)cc3OC)CCO2)[nH]1 ZINC000173571434 441795763 /nfs/dbraw/zinc/79/57/63/441795763.db2.gz WESFSPDEASVDAM-LLVKDONJSA-N 0 0 336.417 1.959 10 0 EDAERN COCc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)no1 ZINC000173590562 441800699 /nfs/dbraw/zinc/80/06/99/441800699.db2.gz AIAXDTWJPXOXTP-GFCCVEGCSA-N 0 0 331.376 1.352 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)c3ccc4c(c3)CCC4)CCO2)[nH]1 ZINC000173605220 441802332 /nfs/dbraw/zinc/80/23/32/441802332.db2.gz OVDKJJZHTCLANR-HNNXBMFYSA-N 0 0 340.383 1.385 10 0 EDAERN O=S(=O)([N-]c1ccccc1OC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000142354661 441862379 /nfs/dbraw/zinc/86/23/79/441862379.db2.gz GIBDDGLXRWIWKC-ZDUSSCGKSA-N 0 0 333.413 1.871 10 0 EDAERN Cn1cc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1=O ZINC000173925527 441863601 /nfs/dbraw/zinc/86/36/01/441863601.db2.gz OUBBKRNWMYWYEE-OCCSQVGLSA-N 0 0 349.431 1.809 10 0 EDAERN CC(C)[C@@H](NC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173927429 441863950 /nfs/dbraw/zinc/86/39/50/441863950.db2.gz OJAGDBJZCFRXRR-AZUAARDMSA-N 0 0 345.487 1.906 10 0 EDAERN Cc1ccccc1CCNC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173930284 441864317 /nfs/dbraw/zinc/86/43/17/441864317.db2.gz RCCJCDPRIXHBAK-SFHVURJKSA-N 0 0 331.460 1.060 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3ccc(C(=O)OC)cc3)CCO2)[nH]1 ZINC000173686403 441824361 /nfs/dbraw/zinc/82/43/61/441824361.db2.gz SEIUYFPXDINFCM-CQSZACIVSA-N 0 0 330.388 1.727 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000173692347 441825924 /nfs/dbraw/zinc/82/59/24/441825924.db2.gz KAPBDVCUZKPUPQ-OAHLLOKOSA-N 0 0 341.371 1.283 10 0 EDAERN COC[C@@H](O)CN(C)c1cc(Br)cc(F)c1C(N)=O ZINC000092829038 441832018 /nfs/dbraw/zinc/83/20/18/441832018.db2.gz CJNUUMVCXSGHSR-QMMMGPOBSA-N 0 0 335.173 1.131 10 0 EDAERN COc1ccc(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173764882 441836081 /nfs/dbraw/zinc/83/60/81/441836081.db2.gz JXTGPBXAZIQVCE-MRXNPFEDSA-N 0 0 333.432 1.354 10 0 EDAERN CNC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 ZINC000068781635 441850916 /nfs/dbraw/zinc/85/09/16/441850916.db2.gz ZPSVSIJAACTBIL-OAHLLOKOSA-N 0 0 340.383 1.264 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1csc(=O)[nH]1 ZINC000124320684 441917676 /nfs/dbraw/zinc/91/76/76/441917676.db2.gz UYFJKGHLIIMHTJ-JTQLQIEISA-N 0 0 327.406 1.452 10 0 EDAERN NC(=O)CCn1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000117701311 441876310 /nfs/dbraw/zinc/87/63/10/441876310.db2.gz GDGICNHUTVIKML-PBHICJAKSA-N 0 0 342.399 1.865 10 0 EDAERN COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000174649939 441949834 /nfs/dbraw/zinc/94/98/34/441949834.db2.gz VIEXTXIJGUWVHP-KGLIPLIRSA-N 0 0 346.431 1.859 10 0 EDAERN Cc1ccc([C@H](CNC(=O)NCC(F)F)N2CCOCC2)s1 ZINC000174991386 441991891 /nfs/dbraw/zinc/99/18/91/441991891.db2.gz KXMFGSFUYLMMBI-NSHDSACASA-N 0 0 333.404 1.994 10 0 EDAERN Cc1ccc(O[C@@H](C)CNC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000175008183 441993928 /nfs/dbraw/zinc/99/39/28/441993928.db2.gz HLQVYZAIRSYVMI-HOTGVXAUSA-N 0 0 335.448 1.782 10 0 EDAERN CCOCCN1CCN(C(=O)CSc2n[nH]c(C)n2)C[C@H]1CC ZINC000174919720 441983650 /nfs/dbraw/zinc/98/36/50/441983650.db2.gz PJHXVSBCPGRTJW-CYBMUJFWSA-N 0 0 341.481 1.165 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1nc(C)c(C)s1)CC2 ZINC000174959083 441988676 /nfs/dbraw/zinc/98/86/76/441988676.db2.gz QXDKKNFJSRRFFK-NSHDSACASA-N 0 0 334.449 1.728 10 0 EDAERN CO[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1 ZINC000175121123 442007481 /nfs/dbraw/zinc/00/74/81/442007481.db2.gz SCONGCORUZHPIM-ZIAGYGMSSA-N 0 0 349.822 1.933 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(=O)OC)nc1 ZINC000151171328 442017727 /nfs/dbraw/zinc/01/77/27/442017727.db2.gz UGLCTFMTHWXXRO-NSHDSACASA-N 0 0 329.360 1.287 10 0 EDAERN C[C@](O)(CNC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1Cl ZINC000125647915 442037637 /nfs/dbraw/zinc/03/76/37/442037637.db2.gz WYMIRTOOASIXKZ-BBRMVZONSA-N 0 0 349.822 1.973 10 0 EDAERN CC(C)[C@H](CNC(=O)NC[C@@H](C)N1CCOCC1)c1cccnc1 ZINC000175345855 442045766 /nfs/dbraw/zinc/04/57/66/442045766.db2.gz URXRJBNHBXPGGX-WBVHZDCISA-N 0 0 334.464 1.841 10 0 EDAERN O=C(NCC[S@](=O)Cc1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000120304219 442046081 /nfs/dbraw/zinc/04/60/81/442046081.db2.gz KSEIJZCHGIZSGN-MZNJEOGPSA-N 0 0 349.500 1.815 10 0 EDAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000120313194 442048042 /nfs/dbraw/zinc/04/80/42/442048042.db2.gz HDRBFPUZQMZLEQ-KGLIPLIRSA-N 0 0 326.368 1.746 10 0 EDAERN CCOC(=O)CCS(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000175381413 442052467 /nfs/dbraw/zinc/05/24/67/442052467.db2.gz VRGDDNOQKPUBDH-LLVKDONJSA-N 0 0 332.447 1.953 10 0 EDAERN OC1CN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1 ZINC000096168756 442053012 /nfs/dbraw/zinc/05/30/12/442053012.db2.gz DFBWPIINFRZPSC-UHFFFAOYSA-N 0 0 349.394 1.473 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)[C@H]1CCCO1 ZINC000120371360 442058618 /nfs/dbraw/zinc/05/86/18/442058618.db2.gz CLWBZLYYLPQIJM-IINYFYTJSA-N 0 0 347.350 1.029 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000079614397 442069825 /nfs/dbraw/zinc/06/98/25/442069825.db2.gz FDMBXNLWGRDKNB-QVQLBTGDSA-N 0 0 334.397 1.452 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(C)C ZINC000126093539 442078282 /nfs/dbraw/zinc/07/82/82/442078282.db2.gz XYCOWEPULKBIFX-MRXNPFEDSA-N 0 0 348.447 1.909 10 0 EDAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCCn3ncnc32)[nH]n1 ZINC000175715888 442110309 /nfs/dbraw/zinc/11/03/09/442110309.db2.gz ARYDWZHISXZCRL-NSHDSACASA-N 0 0 340.391 1.283 10 0 EDAERN COC[C@@H](NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)c1ccco1 ZINC000175736934 442113532 /nfs/dbraw/zinc/11/35/32/442113532.db2.gz YTFFSNFWOUIWJF-LSDHHAIUSA-N 0 0 348.403 1.583 10 0 EDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000162740943 442119073 /nfs/dbraw/zinc/11/90/73/442119073.db2.gz UXZPRSIXSYUIMX-JTQLQIEISA-N 0 0 328.727 1.582 10 0 EDAERN CCc1nc(C2(NC(=O)c3cc(C(N)=O)cs3)CCCC2)no1 ZINC000175797200 442124253 /nfs/dbraw/zinc/12/42/53/442124253.db2.gz RZFUVFZNXHFREF-UHFFFAOYSA-N 0 0 334.401 1.992 10 0 EDAERN CCOC(=O)N[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000126660321 442130931 /nfs/dbraw/zinc/13/09/31/442130931.db2.gz CDPYEXFHHQVAIU-KBPBESRZSA-N 0 0 337.424 1.287 10 0 EDAERN C[C@@H](NC(=O)NCc1ccccc1CS(C)(=O)=O)[C@@H]1CCCO1 ZINC000175856534 442135586 /nfs/dbraw/zinc/13/55/86/442135586.db2.gz SCOMAFLBMQRBEI-DOMZBBRYSA-N 0 0 340.445 1.598 10 0 EDAERN CS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000175892676 442141936 /nfs/dbraw/zinc/14/19/36/442141936.db2.gz ZSVKXCAUHQNADF-GFCCVEGCSA-N 0 0 335.389 1.338 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1cn2ccccc2n1 ZINC000175648281 442099730 /nfs/dbraw/zinc/09/97/30/442099730.db2.gz IUMSDLGOTKSYML-CQSZACIVSA-N 0 0 339.403 1.611 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nccc(N)n1 ZINC000120588621 442100426 /nfs/dbraw/zinc/10/04/26/442100426.db2.gz VHIGHYRFWGAMQR-BLLLJJGKSA-N 0 0 341.415 1.520 10 0 EDAERN Cc1cc(CC(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)n[nH]1 ZINC000126402495 442108472 /nfs/dbraw/zinc/10/84/72/442108472.db2.gz XYFFDXPFJIOYQR-OAHLLOKOSA-N 0 0 348.472 1.820 10 0 EDAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)c1cccs1 ZINC000176170913 442185726 /nfs/dbraw/zinc/18/57/26/442185726.db2.gz IURDHIUPSBJCLF-UWVGGRQHSA-N 0 0 342.446 1.026 10 0 EDAERN O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCC[C@H](n2cncn2)C1 ZINC000121342691 442205619 /nfs/dbraw/zinc/20/56/19/442205619.db2.gz DXXJKUZNYLZHNE-LBPRGKRZSA-N 0 0 341.346 1.736 10 0 EDAERN O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015786 442155080 /nfs/dbraw/zinc/15/50/80/442155080.db2.gz QIXPUKVENQRADN-HNNXBMFYSA-N 0 0 346.408 1.859 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCCN(C)CC(F)(F)F)C1 ZINC000121396640 442211616 /nfs/dbraw/zinc/21/16/16/442211616.db2.gz JPENZHBZVHXXOP-GFCCVEGCSA-N 0 0 338.374 1.181 10 0 EDAERN COc1ccc(OC)c(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000127652803 442218081 /nfs/dbraw/zinc/21/80/81/442218081.db2.gz WJMHSGYJEHSXQO-CQSZACIVSA-N 0 0 344.415 1.777 10 0 EDAERN COc1ccc(S(=O)(=O)c2ccc3nc(N)nc(N)c3c2)cc1 ZINC000169315082 442226583 /nfs/dbraw/zinc/22/65/83/442226583.db2.gz LAKZTEXHSZJXLM-UHFFFAOYSA-N 0 0 330.369 1.636 10 0 EDAERN Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000127865803 442230078 /nfs/dbraw/zinc/23/00/78/442230078.db2.gz SYCCTHBWOKXWGG-CYBMUJFWSA-N 0 0 344.864 1.744 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)c2nccnc2N)c2cccs2)CCO1 ZINC000176589889 442237617 /nfs/dbraw/zinc/23/76/17/442237617.db2.gz IDGRKECSVHKSRW-NEPJUHHUSA-N 0 0 347.444 1.312 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(OCC(N)=O)cc1 ZINC000177153606 442306009 /nfs/dbraw/zinc/30/60/09/442306009.db2.gz PVZIBIIUSROXQP-OAHLLOKOSA-N 0 0 342.399 1.360 10 0 EDAERN Cc1cc(N2CC[C@@H](SCc3nnnn3C(C)C)C2=O)n(C)n1 ZINC000176909548 442271255 /nfs/dbraw/zinc/27/12/55/442271255.db2.gz JSDJVDVASMJWKD-LLVKDONJSA-N 0 0 335.437 1.335 10 0 EDAERN CC(C)n1nnnc1CS[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000176916173 442272808 /nfs/dbraw/zinc/27/28/08/442272808.db2.gz DOGUXXKKCVYIJH-GFCCVEGCSA-N 0 0 335.437 1.416 10 0 EDAERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000128566459 442275215 /nfs/dbraw/zinc/27/52/15/442275215.db2.gz HRDZBXSKAMPWMT-GOEBONIOSA-N 0 0 336.436 1.499 10 0 EDAERN CCc1cccc(S(=O)(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000176950257 442276625 /nfs/dbraw/zinc/27/66/25/442276625.db2.gz QGULWBQVNFNNDA-AWEZNQCLSA-N 0 0 336.417 1.438 10 0 EDAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000170897793 442285256 /nfs/dbraw/zinc/28/52/56/442285256.db2.gz DZUWZOYOBAODHM-AWEZNQCLSA-N 0 0 349.341 1.150 10 0 EDAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(-n3cccn3)cc2)C1 ZINC000170922448 442289194 /nfs/dbraw/zinc/28/91/94/442289194.db2.gz GXSZGACDPOCBSQ-INIZCTEOSA-N 0 0 329.404 1.002 10 0 EDAERN Cc1oc(-c2ccsc2)nc1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000171030225 442300959 /nfs/dbraw/zinc/30/09/59/442300959.db2.gz UBKAUYCGKGZZFF-ZDUSSCGKSA-N 0 0 335.429 1.701 10 0 EDAERN CCc1nnc([C@H]2CN(Cc3cccc(OCCOC)c3)CCO2)[nH]1 ZINC000129159429 442304031 /nfs/dbraw/zinc/30/40/31/442304031.db2.gz GJWUHMDDFYGXDT-MRXNPFEDSA-N 0 0 346.431 1.966 10 0 EDAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000177529968 442353659 /nfs/dbraw/zinc/35/36/59/442353659.db2.gz XTTHLZDTMIUSMG-CYBMUJFWSA-N 0 0 345.403 1.313 10 0 EDAERN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC[C@H](C)O2)s1 ZINC000154129278 442322813 /nfs/dbraw/zinc/32/28/13/442322813.db2.gz VQYXFAIAHFQPHM-GXSJLCMTSA-N 0 0 332.447 1.019 10 0 EDAERN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N[C@@H]1CCCn2ncnc21 ZINC000177330863 442328987 /nfs/dbraw/zinc/32/89/87/442328987.db2.gz RQKNDZJYOOCWQR-TZMCWYRMSA-N 0 0 340.387 1.218 10 0 EDAERN CCCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177362400 442332357 /nfs/dbraw/zinc/33/23/57/442332357.db2.gz LRVIITVDLXNBRQ-UONOGXRCSA-N 0 0 348.451 1.451 10 0 EDAERN COc1ccc(C)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177395571 442336088 /nfs/dbraw/zinc/33/60/88/442336088.db2.gz KMVDGQDFPIUASR-AWEZNQCLSA-N 0 0 331.416 1.639 10 0 EDAERN O=C(CSC[C@H](O)CO)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000177411156 442338090 /nfs/dbraw/zinc/33/80/90/442338090.db2.gz HOACTPSRPAYRLU-CQSZACIVSA-N 0 0 347.440 1.775 10 0 EDAERN C[C@H](SC[C@@H](O)CO)C(=O)Nc1cccc(Br)c1 ZINC000177413681 442338507 /nfs/dbraw/zinc/33/85/07/442338507.db2.gz QCYCGWHPOQIFNT-KWQFWETISA-N 0 0 334.235 1.863 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000177185979 442311416 /nfs/dbraw/zinc/31/14/16/442311416.db2.gz SIWPUUHVSPOCHX-HNNXBMFYSA-N 0 0 340.431 1.887 10 0 EDAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC(c2ccnn2C)CC1 ZINC000171639590 442365435 /nfs/dbraw/zinc/36/54/35/442365435.db2.gz IHLZBGQWIYKJQI-NSHDSACASA-N 0 0 330.440 1.194 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)CC2 ZINC000177643533 442366005 /nfs/dbraw/zinc/36/60/05/442366005.db2.gz NUQRGQKFHBFFEJ-GFCCVEGCSA-N 0 0 331.351 1.049 10 0 EDAERN O=C(CC1CCCCC1)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171661621 442367613 /nfs/dbraw/zinc/36/76/13/442367613.db2.gz HODWSQGMQRJTCH-HNNXBMFYSA-N 0 0 333.436 1.528 10 0 EDAERN COc1ccncc1NC(=O)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000177667548 442368304 /nfs/dbraw/zinc/36/83/04/442368304.db2.gz XHYCRYLHDXVZEZ-ZDUSSCGKSA-N 0 0 343.387 1.397 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2nccn2c1 ZINC000177694584 442372070 /nfs/dbraw/zinc/37/20/70/442372070.db2.gz WBPBPQFINHULRH-LBPRGKRZSA-N 0 0 326.360 1.337 10 0 EDAERN COCCC1(C(=O)N[C@H]2CCCn3nc(COC)nc32)CCCC1 ZINC000155348236 442389569 /nfs/dbraw/zinc/38/95/69/442389569.db2.gz ACTMUBXFVYDVGA-ZDUSSCGKSA-N 0 0 336.436 1.973 10 0 EDAERN C[C@@H](NC(=O)NCc1cccc(CO)c1)c1nnc2n1CCCC2 ZINC000177925483 442396216 /nfs/dbraw/zinc/39/62/16/442396216.db2.gz ZXXOJULHDRBMKL-GFCCVEGCSA-N 0 0 329.404 1.667 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)c2cccc(-n3cccn3)n2)n1 ZINC000155473403 442400877 /nfs/dbraw/zinc/40/08/77/442400877.db2.gz YMXVFUNKEBOLOZ-CYBMUJFWSA-N 0 0 340.343 1.172 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000178020363 442402239 /nfs/dbraw/zinc/40/22/39/442402239.db2.gz ZAMYHBVANNGCRD-HOCLYGCPSA-N 0 0 333.432 1.902 10 0 EDAERN Cc1nc(CN2CCCN(Cc3cccc(C(N)=O)c3)CC2)no1 ZINC000171593341 442360787 /nfs/dbraw/zinc/36/07/87/442360787.db2.gz FQSNXUKODIJACC-UHFFFAOYSA-N 0 0 329.404 1.185 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C)CCN1C[C@@H](C)O ZINC000177612307 442362747 /nfs/dbraw/zinc/36/27/47/442362747.db2.gz QPQSTGIVJIPHAA-GDBMZVCRSA-N 0 0 347.459 1.546 10 0 EDAERN COC[C@@H](C)S(=O)(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000177612525 442363061 /nfs/dbraw/zinc/36/30/61/442363061.db2.gz GTTXIWIRIJRTCT-LLVKDONJSA-N 0 0 331.438 1.917 10 0 EDAERN COC[C@H](C)CNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000172071319 442406091 /nfs/dbraw/zinc/40/60/91/442406091.db2.gz VPZUIKCGVGHBPY-CYBMUJFWSA-N 0 0 337.468 1.147 10 0 EDAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000155581102 442409672 /nfs/dbraw/zinc/40/96/72/442409672.db2.gz LYRPMLREVAXKJP-ZBFHGGJFSA-N 0 0 331.464 1.538 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000155629234 442414598 /nfs/dbraw/zinc/41/45/98/442414598.db2.gz BRHPHFOLUBJDQV-CYBMUJFWSA-N 0 0 329.404 1.714 10 0 EDAERN O=C(CN1CCCCCCC1=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000178307182 442423203 /nfs/dbraw/zinc/42/32/03/442423203.db2.gz ZAASOEMATZNAJK-INIZCTEOSA-N 0 0 331.416 1.854 10 0 EDAERN CC(=O)NC[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)ncn2)CCO1 ZINC000172171734 442418871 /nfs/dbraw/zinc/41/88/71/442418871.db2.gz YOPODSVPKBCYRE-UKRRQHHQSA-N 0 0 333.436 1.054 10 0 EDAERN Cc1cnn(CCNC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000172292820 442436668 /nfs/dbraw/zinc/43/66/68/442436668.db2.gz NGBUXZVWTJLKLQ-ZDUSSCGKSA-N 0 0 339.440 1.746 10 0 EDAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000155996353 442441638 /nfs/dbraw/zinc/44/16/38/442441638.db2.gz ZXHVREMMLQGFFM-STQMWFEESA-N 0 0 343.445 1.907 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CN1CCCCCCC1=O)CC2 ZINC000172418736 442456926 /nfs/dbraw/zinc/45/69/26/442456926.db2.gz CHCVSGLSQTZCMJ-CQSZACIVSA-N 0 0 347.463 1.625 10 0 EDAERN COC(=O)[C@@H](N[C@H]1CCc2nnc(C(C)C)n2C1)c1cccnc1 ZINC000178795495 442487681 /nfs/dbraw/zinc/48/76/81/442487681.db2.gz KTYWFIVOHKHICX-ZFWWWQNUSA-N 0 0 329.404 1.615 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@@](C)(c3ccc(C)cc3C)C2=O)n1C ZINC000178806060 442490467 /nfs/dbraw/zinc/49/04/67/442490467.db2.gz UMSJCTQRRPYTPZ-SFHVURJKSA-N 0 0 341.415 1.962 10 0 EDAERN CC(=O)NC1CN(C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000191729778 442500754 /nfs/dbraw/zinc/50/07/54/442500754.db2.gz RLDPDFTVXAZMLT-KRWDZBQOSA-N 0 0 334.460 1.853 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)COc3ccccc3OC)CCO2)cn1 ZINC000191754930 442505027 /nfs/dbraw/zinc/50/50/27/442505027.db2.gz BWXFDUFMVCIYTH-QGZVFWFLSA-N 0 0 345.399 1.891 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccnc(C)c3)C2=O)n(C)n1 ZINC000179826847 442508081 /nfs/dbraw/zinc/50/80/81/442508081.db2.gz JGNXJVDTCSMORE-AWEZNQCLSA-N 0 0 342.403 1.749 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000191538413 442460275 /nfs/dbraw/zinc/46/02/75/442460275.db2.gz DLZMAYXUXANDLQ-NSHDSACASA-N 0 0 338.477 1.903 10 0 EDAERN O=C(NC1CN(S(=O)(=O)/C=C/c2ccc(F)cc2)C1)C1CCC1 ZINC000186172706 442477639 /nfs/dbraw/zinc/47/76/39/442477639.db2.gz NWUQORHIOIYYEI-CMDGGOBGSA-N 0 0 338.404 1.727 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2[nH]cnc2c1 ZINC000134395311 442478186 /nfs/dbraw/zinc/47/81/86/442478186.db2.gz NZQPWBMZALBWTH-LBPRGKRZSA-N 0 0 326.360 1.566 10 0 EDAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cnc1Cl ZINC000186181842 442479331 /nfs/dbraw/zinc/47/93/31/442479331.db2.gz SBXYLEOANXFKIL-UHFFFAOYSA-N 0 0 343.836 1.333 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CC[C@H](N4CCOCC4)C3)[nH]n2)o1 ZINC000172760329 442537029 /nfs/dbraw/zinc/53/70/29/442537029.db2.gz GVCXLTVDOYCQPI-ZDUSSCGKSA-N 0 0 330.388 1.525 10 0 EDAERN Cc1ccc(-c2cc(C(=O)N3CC[C@H](N4CCOCC4)C3)[nH]n2)cc1 ZINC000172762649 442537217 /nfs/dbraw/zinc/53/72/17/442537217.db2.gz VTPMQDMUUYWTAN-INIZCTEOSA-N 0 0 340.427 1.932 10 0 EDAERN O=C(Cc1ccc(-n2cccn2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172763447 442538285 /nfs/dbraw/zinc/53/82/85/442538285.db2.gz QFFCCPWXMKDQOF-SFHVURJKSA-N 0 0 340.427 1.348 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)C(C)C ZINC000178969120 442541243 /nfs/dbraw/zinc/54/12/43/442541243.db2.gz CIJJTACTSZAPBL-CYBMUJFWSA-N 0 0 333.392 1.786 10 0 EDAERN Cc1cc(N2CCC[C@@H](Nc3cn[nH]c(=O)c3Cl)C2=O)n(C)n1 ZINC000172809573 442547519 /nfs/dbraw/zinc/54/75/19/442547519.db2.gz FKYHSCVUEBOLBD-SECBINFHSA-N 0 0 336.783 1.073 10 0 EDAERN Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186521904 442551113 /nfs/dbraw/zinc/55/11/13/442551113.db2.gz YBDSWYISFROQMV-AWEZNQCLSA-N 0 0 345.443 1.991 10 0 EDAERN COCCn1c(C)cc(C(=O)CN2CCC[C@]2(C)C(=O)OC)c1C ZINC000186380558 442522690 /nfs/dbraw/zinc/52/26/90/442522690.db2.gz AEFSWBQFUXWNDZ-GOSISDBHSA-N 0 0 336.432 1.962 10 0 EDAERN O=C(Cc1c[nH]c2ccc(F)cc12)N1CC[C@H](N2CCOCC2)C1 ZINC000172746021 442531907 /nfs/dbraw/zinc/53/19/07/442531907.db2.gz MAHDLOVKBSIBQO-HNNXBMFYSA-N 0 0 331.391 1.783 10 0 EDAERN Cc1ccnc2nc(C(=O)N[C@@H](C)COCc3ccccc3)nn21 ZINC000172956551 442573371 /nfs/dbraw/zinc/57/33/71/442573371.db2.gz FXKDJWQYDKBFDE-LBPRGKRZSA-N 0 0 325.372 1.768 10 0 EDAERN CNC(=O)[C@H](NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)C(C)C ZINC000179124795 442578139 /nfs/dbraw/zinc/57/81/39/442578139.db2.gz ZJWPFWJXVRWAIK-CQSZACIVSA-N 0 0 347.415 1.030 10 0 EDAERN O=C(Cc1ccoc1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000186633706 442578597 /nfs/dbraw/zinc/57/85/97/442578597.db2.gz QDJPETJFNMTFJP-KRWDZBQOSA-N 0 0 344.411 1.406 10 0 EDAERN CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2COc3ccccc32)c1CC ZINC000157511183 442589132 /nfs/dbraw/zinc/58/91/32/442589132.db2.gz WJMXSGWCXJXEBW-HNNXBMFYSA-N 0 0 342.399 1.828 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)CCc3ccc(F)cc3F)CCO2)[nH]1 ZINC000157583277 442595221 /nfs/dbraw/zinc/59/52/21/442595221.db2.gz OTFUKBSLDZAHGY-AWEZNQCLSA-N 0 0 336.342 1.924 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(N(C)C)cc3F)CCO2)[nH]1 ZINC000157580736 442595273 /nfs/dbraw/zinc/59/52/73/442595273.db2.gz GLWZLJSFLSRUGS-AWEZNQCLSA-N 0 0 333.367 1.532 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000179239025 442602558 /nfs/dbraw/zinc/60/25/58/442602558.db2.gz SPDNPHMXSGZCIE-XHDPSFHLSA-N 0 0 343.420 1.900 10 0 EDAERN COC(=O)c1cccc2c1CCCN2C[C@H](O)CN1CCCC1=O ZINC000157699016 442605145 /nfs/dbraw/zinc/60/51/45/442605145.db2.gz WLNHEYHOKTVTAE-ZDUSSCGKSA-N 0 0 332.400 1.209 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cc(C)cc(F)c3)CCO2)[nH]1 ZINC000180224424 442561341 /nfs/dbraw/zinc/56/13/41/442561341.db2.gz VGSOKUMYIPJMQG-ZDUSSCGKSA-N 0 0 347.350 1.099 10 0 EDAERN CC(C)c1nnc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)n1C ZINC000172898436 442564848 /nfs/dbraw/zinc/56/48/48/442564848.db2.gz AXAYGNDJDSWOJY-UHFFFAOYSA-N 0 0 345.422 1.922 10 0 EDAERN O[C@@H](COc1ccccc1)CN1CCN(Cc2ncccn2)CC1 ZINC000192008616 442565404 /nfs/dbraw/zinc/56/54/04/442565404.db2.gz STLSEDFLSHZCSI-MRXNPFEDSA-N 0 0 328.416 1.034 10 0 EDAERN Cc1ccc([C@H](CNC(=O)N[C@@H]2CCOC2)N2CCOCC2)s1 ZINC000179072692 442566464 /nfs/dbraw/zinc/56/64/64/442566464.db2.gz JEYOIFVIAINFAD-KGLIPLIRSA-N 0 0 339.461 1.518 10 0 EDAERN COc1ncncc1NC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000135978280 442644294 /nfs/dbraw/zinc/64/42/94/442644294.db2.gz YRLGCCBHACDNSL-ZDUSSCGKSA-N 0 0 345.407 1.638 10 0 EDAERN C/C=C/C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000187091135 442652049 /nfs/dbraw/zinc/65/20/49/442652049.db2.gz ZKUXLQNAWQAHGH-OVKMHZHDSA-N 0 0 334.391 1.788 10 0 EDAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000180723255 442652629 /nfs/dbraw/zinc/65/26/29/442652629.db2.gz VMLDOWBMAKLJFA-GFCCVEGCSA-N 0 0 345.407 1.032 10 0 EDAERN CC1=C(C(=O)N[C@@H]2COc3ccccc32)[C@@H](C)n2ncnc2N1C ZINC000192196044 442611408 /nfs/dbraw/zinc/61/14/08/442611408.db2.gz NWZOPCHXVUYTGQ-DGCLKSJQSA-N 0 0 325.372 1.813 10 0 EDAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)CC2CCOCC2)C1 ZINC000173172958 442616452 /nfs/dbraw/zinc/61/64/52/442616452.db2.gz KPHXVFKDINJFHB-HNNXBMFYSA-N 0 0 341.477 1.839 10 0 EDAERN O=S(=O)(CC1CCOCC1)N1CCC(Cn2cccn2)CC1 ZINC000173183357 442619678 /nfs/dbraw/zinc/61/96/78/442619678.db2.gz BDCKJJWWQFXCNB-UHFFFAOYSA-N 0 0 327.450 1.352 10 0 EDAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](COCC(C)C)c1ccco1 ZINC000157850663 442620368 /nfs/dbraw/zinc/62/03/68/442620368.db2.gz ZUNPXWGHJRBMIP-KGLIPLIRSA-N 0 0 337.420 1.913 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000135773086 442632384 /nfs/dbraw/zinc/63/23/84/442632384.db2.gz HCXWXCMYOUQNBB-MRXNPFEDSA-N 0 0 325.368 1.735 10 0 EDAERN CN(C(=O)c1cccc2n[nH]nc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000188066415 442707160 /nfs/dbraw/zinc/70/71/60/442707160.db2.gz YMXGKEAQADKHRQ-GFCCVEGCSA-N 0 0 337.387 1.489 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC[C@@]13CCOC3=O)CC2 ZINC000187782746 442691843 /nfs/dbraw/zinc/69/18/43/442691843.db2.gz AKHXQACRZQBHMW-PXAZEXFGSA-N 0 0 347.419 1.207 10 0 EDAERN COCCn1ccc(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000181582919 442705627 /nfs/dbraw/zinc/70/56/27/442705627.db2.gz WICSTVIGPHHDCY-GFCCVEGCSA-N 0 0 347.423 1.381 10 0 EDAERN CSC[C@H](CCO)NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181601201 442706167 /nfs/dbraw/zinc/70/61/67/442706167.db2.gz SWOPXFLXVAPINT-RYUDHWBXSA-N 0 0 341.481 1.130 10 0 EDAERN CC(=O)c1c[nH]c(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000136352043 442660852 /nfs/dbraw/zinc/66/08/52/442660852.db2.gz HSWLMQBCPIQQKP-AWEZNQCLSA-N 0 0 327.388 1.748 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccccc3C)CCO2)[nH]1 ZINC000136402486 442662559 /nfs/dbraw/zinc/66/25/59/442662559.db2.gz OAFIABKVDXSBDZ-CQSZACIVSA-N 0 0 329.404 1.959 10 0 EDAERN CSc1ccccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000187362765 442672042 /nfs/dbraw/zinc/67/20/42/442672042.db2.gz QWZKRLMDOQEYQS-ZDUSSCGKSA-N 0 0 342.486 1.504 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000181880586 442720381 /nfs/dbraw/zinc/72/03/81/442720381.db2.gz RRLLQAZAQCMQJB-JJRVBVJISA-N 0 0 327.469 1.288 10 0 EDAERN CCc1noc(CC)c1CNC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000181950129 442723160 /nfs/dbraw/zinc/72/31/60/442723160.db2.gz ALIOSAAJUVKIPA-CYBMUJFWSA-N 0 0 338.452 1.398 10 0 EDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C[C@@H]1C ZINC000193276687 442728568 /nfs/dbraw/zinc/72/85/68/442728568.db2.gz MDBADFLNGLPRGV-HNNXBMFYSA-N 0 0 348.447 1.206 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)n2)CCN1CCOC ZINC000193278233 442729174 /nfs/dbraw/zinc/72/91/74/442729174.db2.gz NZEXTSYUHVEVGU-OAHLLOKOSA-N 0 0 348.447 1.206 10 0 EDAERN Cc1cnc(NC(=O)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)s1 ZINC000188293714 442734571 /nfs/dbraw/zinc/73/45/71/442734571.db2.gz PRACIGYCGGHQBJ-SNVBAGLBSA-N 0 0 348.432 1.236 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000188387816 442746067 /nfs/dbraw/zinc/74/60/67/442746067.db2.gz BBZPZOIBZLOPCW-VXGBXAGGSA-N 0 0 327.178 1.369 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(C)n3)C2)no1 ZINC000193468934 442746279 /nfs/dbraw/zinc/74/62/79/442746279.db2.gz LZEGBPROYCWHEU-CYBMUJFWSA-N 0 0 343.387 1.501 10 0 EDAERN O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCC(Nc2cccnn2)CC1 ZINC000188409810 442747954 /nfs/dbraw/zinc/74/79/54/442747954.db2.gz BYVHLDWSSZJYTP-UKRRQHHQSA-N 0 0 333.436 1.614 10 0 EDAERN CCOc1ccnc(N2CCN(CCO[C@H]3CCCCO3)CC2)n1 ZINC000181690835 442710249 /nfs/dbraw/zinc/71/02/49/442710249.db2.gz IHQIRAKVSVPBHR-INIZCTEOSA-N 0 0 336.436 1.541 10 0 EDAERN CCOC(=O)c1sc(N2CCN(CCOC)[C@@H](C)C2)nc1C ZINC000246514939 442788029 /nfs/dbraw/zinc/78/80/29/442788029.db2.gz KPNIPUNFGTXTOZ-NSHDSACASA-N 0 0 327.450 1.785 10 0 EDAERN COc1cc(CN2CCN(c3ccc4nncn4n3)CC2)ccc1C ZINC000193895843 442807803 /nfs/dbraw/zinc/80/78/03/442807803.db2.gz HZFIGINTJVNCGK-UHFFFAOYSA-N 0 0 338.415 1.764 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C[C@@H]1C ZINC000246596867 442795934 /nfs/dbraw/zinc/79/59/34/442795934.db2.gz BCIRGTLYXFTAPR-CAVOSLQRSA-N 0 0 338.398 1.982 10 0 EDAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188748448 442802343 /nfs/dbraw/zinc/80/23/43/442802343.db2.gz RDTOSTOVGBHYCN-OAHLLOKOSA-N 0 0 349.475 1.541 10 0 EDAERN CN(C)C(=O)Nc1cccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188538382 442761252 /nfs/dbraw/zinc/76/12/52/442761252.db2.gz OIMKQWXZYUZUGT-UHFFFAOYSA-N 0 0 344.415 1.521 10 0 EDAERN CCCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182396495 442763459 /nfs/dbraw/zinc/76/34/59/442763459.db2.gz FYTODSDVZQNXQO-GFCCVEGCSA-N 0 0 344.481 1.548 10 0 EDAERN CCOc1cc(/C=C/C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1O ZINC000182514709 442778896 /nfs/dbraw/zinc/77/88/96/442778896.db2.gz SBCNWEJWNYLORR-NBUZRDOWSA-N 0 0 346.427 1.737 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CC(NC(=O)C2CCC2)C1)C(C)C ZINC000188880979 442834216 /nfs/dbraw/zinc/83/42/16/442834216.db2.gz ONHLIYFUSRUISO-HNNXBMFYSA-N 0 0 325.453 1.748 10 0 EDAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)n1 ZINC000193950326 442817903 /nfs/dbraw/zinc/81/79/03/442817903.db2.gz QQHFBKYECXYQRK-ZDUSSCGKSA-N 0 0 339.442 1.796 10 0 EDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)ccc2C)CCN1C[C@H](C)O ZINC000247108329 442835542 /nfs/dbraw/zinc/83/55/42/442835542.db2.gz QWXCTMHLHFCCHF-JKSUJKDBSA-N 0 0 347.459 1.546 10 0 EDAERN CCc1nn(C)c(CC)c1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188908669 442840248 /nfs/dbraw/zinc/84/02/48/442840248.db2.gz ZJWBAMUMKNWBIG-UHFFFAOYSA-N 0 0 347.463 1.355 10 0 EDAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188948962 442847469 /nfs/dbraw/zinc/84/74/69/442847469.db2.gz PQAKTLYRSAATHI-CQSZACIVSA-N 0 0 345.443 1.652 10 0 EDAERN O=S(=O)(c1cccnc1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183192365 442899744 /nfs/dbraw/zinc/89/97/44/442899744.db2.gz IJMWDWRFWGUDNW-CQSZACIVSA-N 0 0 347.444 1.925 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCC[C@H](OCCO)C1 ZINC000189019038 442861795 /nfs/dbraw/zinc/86/17/95/442861795.db2.gz OBWRUHYRPSGERA-RDJZCZTQSA-N 0 0 336.432 1.775 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC000183027550 442866129 /nfs/dbraw/zinc/86/61/29/442866129.db2.gz NFCXIKYDXFOIPU-INIZCTEOSA-N 0 0 342.447 1.602 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1-n1ccnn1 ZINC000183072200 442873996 /nfs/dbraw/zinc/87/39/96/442873996.db2.gz FQNYKCIVBDUAFM-ZDUSSCGKSA-N 0 0 337.387 1.686 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)c2ccccc2)ncn1 ZINC000194362543 442882873 /nfs/dbraw/zinc/88/28/73/442882873.db2.gz QUXUHCUPESMSIJ-CQSZACIVSA-N 0 0 339.399 1.486 10 0 EDAERN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000183139559 442887775 /nfs/dbraw/zinc/88/77/75/442887775.db2.gz AMHOSBBNZIYZNL-ZCFIWIBFSA-N 0 0 343.193 1.743 10 0 EDAERN CCn1cc([C@H]2CN(S(=O)(=O)CCOC(C)C)CCO2)cn1 ZINC000189229394 442901367 /nfs/dbraw/zinc/90/13/67/442901367.db2.gz HRCAQLZFNOGMHZ-CQSZACIVSA-N 0 0 331.438 1.031 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183226456 442907159 /nfs/dbraw/zinc/90/71/59/442907159.db2.gz ADQXYKWAJBUEED-AWEZNQCLSA-N 0 0 344.419 1.187 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)CCn3ccnn3)C[C@@H]21 ZINC000183269805 442914520 /nfs/dbraw/zinc/91/45/20/442914520.db2.gz IDMVPXBXQCOZCH-MELADBBJSA-N 0 0 349.435 1.430 10 0 EDAERN CN1CCO[C@@H](CNC(=O)CCc2nnc(-c3ccccc3)o2)C1 ZINC000194628052 442926638 /nfs/dbraw/zinc/92/66/38/442926638.db2.gz NPSNYKREGJHOTD-AWEZNQCLSA-N 0 0 330.388 1.116 10 0 EDAERN CC(C)NC(=O)Nc1ccccc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189379225 442933899 /nfs/dbraw/zinc/93/38/99/442933899.db2.gz HNRCJXXENXLTHL-UHFFFAOYSA-N 0 0 344.415 1.567 10 0 EDAERN CCc1nnc(CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)n1C ZINC000194678549 442936582 /nfs/dbraw/zinc/93/65/82/442936582.db2.gz VAIUNLSKYQEPJU-MRXNPFEDSA-N 0 0 349.341 1.623 10 0 EDAERN O=C(NC1CN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1)C1CC1 ZINC000189406429 442943111 /nfs/dbraw/zinc/94/31/11/442943111.db2.gz MYHGUGFLGQWGMT-CYBMUJFWSA-N 0 0 343.210 1.764 10 0 EDAERN O=C(NC1CN(C(=O)c2ccc(N3CCCCCC3)nc2)C1)C1CC1 ZINC000189412810 442945227 /nfs/dbraw/zinc/94/52/27/442945227.db2.gz KWOQDSLNFLDESD-UHFFFAOYSA-N 0 0 342.443 1.813 10 0 EDAERN Cc1ccc(CS(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000184171424 442998401 /nfs/dbraw/zinc/99/84/01/442998401.db2.gz XAOYYDDDWPFNAP-OAHLLOKOSA-N 0 0 342.436 1.370 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC(C)(CO)CC2)C1 ZINC000183731007 442956377 /nfs/dbraw/zinc/95/63/77/442956377.db2.gz BUCGHQCNXINSAA-CYBMUJFWSA-N 0 0 326.437 1.864 10 0 EDAERN C[C@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1N1CCOCC1 ZINC000189452586 442957232 /nfs/dbraw/zinc/95/72/32/442957232.db2.gz LLQAYXMEGGBPSB-DZGCQCFKSA-N 0 0 341.415 1.264 10 0 EDAERN CCc1cc(NC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)n(C)n1 ZINC000190129855 318568955 /nfs/dbraw/zinc/56/89/55/318568955.db2.gz NCJPSJLAPKSELP-NEPJUHHUSA-N 0 0 334.380 1.668 10 0 EDAERN O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)NCC1CC1 ZINC000183776619 442963079 /nfs/dbraw/zinc/96/30/79/442963079.db2.gz FRDMWSSKRPUNCS-UHFFFAOYSA-N 0 0 330.432 1.040 10 0 EDAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189479779 442964494 /nfs/dbraw/zinc/96/44/94/442964494.db2.gz YKQQOESHTAMTMW-ZBEGNZNMSA-N 0 0 341.411 1.632 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192576238 318578470 /nfs/dbraw/zinc/57/84/70/318578470.db2.gz XNHBSNVITFEZOT-OAHLLOKOSA-N 0 0 344.463 1.720 10 0 EDAERN COC[C@H](C)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000184000513 442981926 /nfs/dbraw/zinc/98/19/26/442981926.db2.gz BCYRUBGUMJXXDG-LBPRGKRZSA-N 0 0 326.418 1.125 10 0 EDAERN COCCN1CCN(S(=O)(=O)CCc2cccs2)C[C@@H]1C ZINC000189630705 442987208 /nfs/dbraw/zinc/98/72/08/442987208.db2.gz DPXLTKLFJRWNCA-ZDUSSCGKSA-N 0 0 332.491 1.273 10 0 EDAERN COCCN1CCN(C(=O)c2cccc(CC(=O)OC)c2)C[C@H]1C ZINC000189659856 442990133 /nfs/dbraw/zinc/99/01/33/442990133.db2.gz JGEYYJJFHDNWGF-CQSZACIVSA-N 0 0 334.416 1.195 10 0 EDAERN O=S(=O)(CCc1cccs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000189667103 442991219 /nfs/dbraw/zinc/99/12/19/442991219.db2.gz MBXQCFVDFYLFHM-CYBMUJFWSA-N 0 0 330.475 1.027 10 0 EDAERN COC(=O)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)c1ccccc1 ZINC000195207900 442996662 /nfs/dbraw/zinc/99/66/62/442996662.db2.gz LTDKFARXLFXMLT-LLVKDONJSA-N 0 0 332.381 1.881 10 0 EDAERN CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1nncs1 ZINC000184310957 443011209 /nfs/dbraw/zinc/01/12/09/443011209.db2.gz LEGCUQNWUUIHJG-DGCLKSJQSA-N 0 0 334.376 1.860 10 0 EDAERN Cc1noc([C@H]2COCCN2CCOCC(F)(F)C(F)F)n1 ZINC000189921036 443029399 /nfs/dbraw/zinc/02/93/99/443029399.db2.gz ODSVGHABGJCOQQ-SECBINFHSA-N 0 0 327.278 1.668 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000184505967 443031066 /nfs/dbraw/zinc/03/10/66/443031066.db2.gz LLKBIXQNIRMYQX-INIZCTEOSA-N 0 0 334.416 1.842 10 0 EDAERN COC[C@@H](C)n1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000189935100 443032360 /nfs/dbraw/zinc/03/23/60/443032360.db2.gz KDWPFTNZGBYBNL-ZIAGYGMSSA-N 0 0 348.407 1.220 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC000184518750 443032715 /nfs/dbraw/zinc/03/27/15/443032715.db2.gz KZYUDOZFADCCLR-INIZCTEOSA-N 0 0 346.431 1.567 10 0 EDAERN C[C@@H]1OCCC[C@H]1C(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC000190339555 443087858 /nfs/dbraw/zinc/08/78/58/443087858.db2.gz HLZAATDBLYYRBY-GXTWGEPZSA-N 0 0 330.388 1.815 10 0 EDAERN C[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)C[C@H](CO)O1 ZINC000190133884 443061775 /nfs/dbraw/zinc/06/17/75/443061775.db2.gz NPQNYSUVKFWNIW-UHOFOFEASA-N 0 0 329.824 1.299 10 0 EDAERN COC(=O)[C@H](CC1CCCCC1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000253424962 443065192 /nfs/dbraw/zinc/06/51/92/443065192.db2.gz ZPSHBRORVNQBNZ-GJZGRUSLSA-N 0 0 338.448 1.921 10 0 EDAERN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@H](O)C[C@@H]1CO ZINC000184723518 443066590 /nfs/dbraw/zinc/06/65/90/443066590.db2.gz WLZAYOXPDKYYMJ-KBRIMQKVSA-N 0 0 333.432 1.041 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2C)cn1 ZINC000184751625 443071968 /nfs/dbraw/zinc/07/19/68/443071968.db2.gz HIUFLUSNXDPIOZ-LBPRGKRZSA-N 0 0 333.413 1.789 10 0 EDAERN Cc1ccc(C)n1C[C@H](O)CNc1ccc(N2CCOCC2=O)cc1 ZINC000222564603 443079399 /nfs/dbraw/zinc/07/93/99/443079399.db2.gz SFGSWMXQMSZMRS-GOSISDBHSA-N 0 0 343.427 1.941 10 0 EDAERN NS(=O)(=O)Nc1c(Br)cccc1Br ZINC000232141032 443137168 /nfs/dbraw/zinc/13/71/68/443137168.db2.gz XDMKBMOXQVVOES-UHFFFAOYSA-N 0 0 330.001 1.827 10 0 EDAERN CS(=O)(=O)Nc1ncc(Br)nc1Br ZINC000235044593 443137794 /nfs/dbraw/zinc/13/77/94/443137794.db2.gz PQCXUJHZHCAPLO-UHFFFAOYSA-N 0 0 330.989 1.373 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190599211 443146479 /nfs/dbraw/zinc/14/64/79/443146479.db2.gz BLGXRTAXCBCIMU-CYBMUJFWSA-N 0 0 329.356 1.281 10 0 EDAERN CCC[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)C(=O)[O-] ZINC000185057322 443127602 /nfs/dbraw/zinc/12/76/02/443127602.db2.gz PTDGJDYAQMBAAO-GFCCVEGCSA-N 0 0 335.429 1.798 10 0 EDAERN Cc1noc([C@@H]2COCCN2Cc2ccc(-n3ccnc3)nc2)n1 ZINC000185070148 443129965 /nfs/dbraw/zinc/12/99/65/443129965.db2.gz GRKPJTLDZTUFTB-AWEZNQCLSA-N 0 0 326.360 1.532 10 0 EDAERN COCC(=O)NC1CN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000185246509 443169748 /nfs/dbraw/zinc/16/97/48/443169748.db2.gz BARUMWYGTSJSQT-UHFFFAOYSA-N 0 0 330.306 1.221 10 0 EDAERN COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000190766424 443179849 /nfs/dbraw/zinc/17/98/49/443179849.db2.gz JPJPATNOYRIQME-CYBMUJFWSA-N 0 0 346.362 1.661 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)C1 ZINC000185303764 443179951 /nfs/dbraw/zinc/17/99/51/443179951.db2.gz DVPHOYJBCZOBSS-VQIMIIECSA-N 0 0 328.412 1.254 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(Cc2nnnn2CC(F)(F)F)C1 ZINC000190854860 443197094 /nfs/dbraw/zinc/19/70/94/443197094.db2.gz NKNYOBSFHZWMLN-SNVBAGLBSA-N 0 0 334.346 1.116 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)C2(O)CCC2)CC1 ZINC000185388254 443192874 /nfs/dbraw/zinc/19/28/74/443192874.db2.gz IMLCUUAQYSXIEK-UHFFFAOYSA-N 0 0 340.855 1.195 10 0 EDAERN CNC(=O)CC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000185567639 443220331 /nfs/dbraw/zinc/22/03/31/443220331.db2.gz WOCAKZYWGLVVPN-NEPJUHHUSA-N 0 0 330.306 1.476 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](OCC)C(C)C ZINC000245416826 443224979 /nfs/dbraw/zinc/22/49/79/443224979.db2.gz FLUVLEZYCJLUIS-HUUCEWRRSA-N 0 0 348.509 1.758 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)N3CCc4c3cccc4F)C2)cn1 ZINC000185662894 443234416 /nfs/dbraw/zinc/23/44/16/443234416.db2.gz QUGCNDWGRJCTGW-LBPRGKRZSA-N 0 0 342.374 1.464 10 0 EDAERN CCS(=O)(=O)NCCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000245527692 443234607 /nfs/dbraw/zinc/23/46/07/443234607.db2.gz WGQKGIATCKDMGV-MCIONIFRSA-N 0 0 332.466 1.122 10 0 EDAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000185475253 443205799 /nfs/dbraw/zinc/20/57/99/443205799.db2.gz GOHGKXNYHUGRTH-ZIAGYGMSSA-N 0 0 337.468 1.765 10 0 EDAERN Cc1ccc(OC[C@H](O)CN2CC(NC(=O)C3CCC3)C2)c(C)c1 ZINC000185937741 443287121 /nfs/dbraw/zinc/28/71/21/443287121.db2.gz IDQFVVHEDSGGDT-QGZVFWFLSA-N 0 0 332.444 1.644 10 0 EDAERN O=C(NCCc1cccc(C(F)(F)F)n1)N1C[C@@H](F)C[C@H]1CO ZINC000458802089 320342107 /nfs/dbraw/zinc/34/21/07/320342107.db2.gz ORBGKHMSJOBJOY-ONGXEEELSA-N 0 0 335.301 1.757 10 0 EDAERN Cc1cnc2cc(C(=O)N3C[C@@H](C)[C@H](N4CCOCC4)C3)ccn12 ZINC000564466745 321133808 /nfs/dbraw/zinc/13/38/08/321133808.db2.gz VBIBRZZLZRGFML-CZUORRHYSA-N 0 0 328.416 1.435 10 0 EDAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3cc(C)ccc3F)CC[C@@H]21 ZINC000299746239 444133746 /nfs/dbraw/zinc/13/37/46/444133746.db2.gz VZXJDYXWLHAZRJ-CABCVRRESA-N 0 0 335.379 1.389 10 0 EDAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C[C@@H](O)COc2ccccc2)C1 ZINC000328631806 444403820 /nfs/dbraw/zinc/40/38/20/444403820.db2.gz RIYSSXVSYDRSNL-FVQBIDKESA-N 0 0 333.388 1.580 10 0 EDAERN CCCc1n[nH]cc1C(=O)N1CCN(CC)[C@@H](c2nccn2C)C1 ZINC000328637597 444407848 /nfs/dbraw/zinc/40/78/48/444407848.db2.gz WBECPEJSJUWYBQ-OAHLLOKOSA-N 0 0 330.436 1.615 10 0 EDAERN Nc1ccc(N[C@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1 ZINC000328638130 444407939 /nfs/dbraw/zinc/40/79/39/444407939.db2.gz OXYCJUYTKGVNRN-AWEZNQCLSA-N 0 0 341.415 1.319 10 0 EDAERN C[C@H]1C(=O)N(C)CCN1C(=O)[C@H]1C[C@@]12CCOc1ccc(F)cc12 ZINC000328606729 444391763 /nfs/dbraw/zinc/39/17/63/444391763.db2.gz SRCLAWUEVIKHCB-UCMVZMLTSA-N 0 0 332.375 1.555 10 0 EDAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000328608646 444391930 /nfs/dbraw/zinc/39/19/30/444391930.db2.gz AVBIMEYLLRPBPS-QILLFSRXSA-N 0 0 333.432 1.754 10 0 EDAERN Cc1cccn(CC(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)c1=O ZINC000328615449 444394982 /nfs/dbraw/zinc/39/49/82/444394982.db2.gz YLLVVNHXDLKLJJ-CYBMUJFWSA-N 0 0 346.387 1.263 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(N)nc(Cl)c2N)C1 ZINC000575434321 447861426 /nfs/dbraw/zinc/86/14/26/447861426.db2.gz NIZNLLNUCHUQKD-MRVPVSSYSA-N 0 0 342.831 1.528 10 0 EDAERN CCOC(=O)Cc1c(I)c(N)ccc1OC ZINC000575724322 447882813 /nfs/dbraw/zinc/88/28/13/447882813.db2.gz APRSHVFFDWMULF-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN CC(C)CCS(=O)(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616354 448442313 /nfs/dbraw/zinc/44/23/13/448442313.db2.gz HXDXVKLMBVSZFP-OAHLLOKOSA-N 0 0 344.481 1.518 10 0 EDAERN O=C(c1ncccc1C(F)(F)F)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618957 448448488 /nfs/dbraw/zinc/44/84/88/448448488.db2.gz MXLBJEHOTIKWQL-ZDUSSCGKSA-N 0 0 341.293 1.342 10 0 EDAERN CC(=O)O[C@@H]1COC=C(I)[C@H]1OC(C)=O ZINC000584608987 448584784 /nfs/dbraw/zinc/58/47/84/448584784.db2.gz PJJAIWGKXQFODX-RKDXNWHRSA-N 0 0 326.086 1.156 10 0 EDAERN CC(C)(C)OC(=O)[C@H]1Cc2nc(Br)sc2C(=O)N1 ZINC000606241704 449450160 /nfs/dbraw/zinc/45/01/60/449450160.db2.gz FXHVUHGGBDXHNW-ZCFIWIBFSA-N 0 0 333.207 1.902 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)N2CC=C(C)CC2)[C@H]1c1ccnn1C ZINC000612996234 449977885 /nfs/dbraw/zinc/97/78/85/449977885.db2.gz FMHLIBSHRBPZBR-YOEHRIQHSA-N 0 0 330.432 1.898 10 0 EDAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC000619288906 450446884 /nfs/dbraw/zinc/44/68/84/450446884.db2.gz MWTQUEWOFMUYKC-SWLSCSKDSA-N 0 0 340.387 1.361 10 0 EDAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1cccc(CO)c1 ZINC000616602670 450454640 /nfs/dbraw/zinc/45/46/40/450454640.db2.gz AVECRDHQGMOYCE-KRWDZBQOSA-N 0 0 332.425 1.514 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1ccc(N)nc1 ZINC000616657793 450458109 /nfs/dbraw/zinc/45/81/09/450458109.db2.gz OWBPPGJJPTXEFN-CQSZACIVSA-N 0 0 336.436 1.952 10 0 EDAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2cccnc2N)C1 ZINC000616663804 450458418 /nfs/dbraw/zinc/45/84/18/450458418.db2.gz LTGPRPWOYAJGBO-ZDUSSCGKSA-N 0 0 336.436 1.604 10 0 EDAERN CS(=O)(=O)N1CCc2ccccc2[C@@H]1c1ccccc1C(N)=O ZINC000616693530 450461236 /nfs/dbraw/zinc/46/12/36/450461236.db2.gz ZZWQOLTVFBXZOH-MRXNPFEDSA-N 0 0 330.409 1.693 10 0 EDAERN CCn1cc(O[C@@H]2CN(c3ncc(Cl)cc3F)C[C@H]2O)cn1 ZINC000624420736 450843346 /nfs/dbraw/zinc/84/33/46/450843346.db2.gz WIRDAKPAZJUOCU-CHWSQXEVSA-N 0 0 326.759 1.719 10 0 EDAERN CCn1cc(O[C@@H]2CN(c3ccnc4cc(F)cnc43)C[C@H]2O)cn1 ZINC000624421110 450843661 /nfs/dbraw/zinc/84/36/61/450843661.db2.gz RCKCZNSYJVFTFX-HZPDHXFCSA-N 0 0 343.362 1.614 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)cc1C ZINC000664267600 452949566 /nfs/dbraw/zinc/94/95/66/452949566.db2.gz DBOGNODTOYYPMQ-ZJUUUORDSA-N 0 0 335.223 1.376 10 0 EDAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nccc(C)c1Br ZINC000664270151 452953006 /nfs/dbraw/zinc/95/30/06/452953006.db2.gz FWDHZFYQWJLRGY-BDAKNGLRSA-N 0 0 335.223 1.376 10 0 EDAERN Cc1cccc(C2=CCN(C(=O)CN3CCCC[C@H](O)C3=O)CC2)c1 ZINC000644417101 453429719 /nfs/dbraw/zinc/42/97/19/453429719.db2.gz PGOAQODFJHKTNJ-SFHVURJKSA-N 0 0 342.439 1.984 10 0 EDAERN O=C(c1cccnc1)N1CCN2C(=O)c3cccnc3C[C@@]12C1CC1 ZINC000203952160 485715237 /nfs/dbraw/zinc/71/52/37/485715237.db2.gz HBJWBSBWRDJUPY-LJQANCHMSA-N 0 0 334.379 1.737 10 0 EDAERN CC(C)[C@@H](O)CNC(=O)C1CCC(C(=O)NC[C@@H](O)C(C)C)CC1 ZINC000134220763 491224994 /nfs/dbraw/zinc/22/49/94/491224994.db2.gz XXPRLPLLCNETSD-STONLHKKSA-N 0 0 342.480 1.059 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1OCCc2ccccc21 ZINC000124618332 491005410 /nfs/dbraw/zinc/00/54/10/491005410.db2.gz UZFXMCDEYARCAK-GOEBONIOSA-N 0 0 342.399 1.690 10 0 EDAERN O=C(/C=C/c1ccc(Cl)nc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000134271373 501038165 /nfs/dbraw/zinc/03/81/65/501038165.db2.gz HDYQWOULGJAWNG-LYKUJDHUSA-N 0 0 332.791 1.872 10 0 EDAERN Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cnn1C ZINC000177977060 533787878 /nfs/dbraw/zinc/78/78/78/533787878.db2.gz MABZVVPVNZOWOB-DOMZBBRYSA-N 0 0 348.472 1.982 10 0 EDAERN COC(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000173960659 533997852 /nfs/dbraw/zinc/99/78/52/533997852.db2.gz QYYQHGQNGILVGZ-CZUORRHYSA-N 0 0 332.400 1.266 10 0 EDAERN COc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc1Cl ZINC000130633940 534052995 /nfs/dbraw/zinc/05/29/95/534052995.db2.gz SXPLYCDLLJAZPM-GWCFXTLKSA-N 0 0 340.807 1.954 10 0 EDAERN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000168699199 534219743 /nfs/dbraw/zinc/21/97/43/534219743.db2.gz IXDQCBLPDYCJFC-QQOXFEPMSA-N 0 0 345.273 1.621 10 0 EDAERN COC(=O)c1scc(C)c1S(=O)(=O)NCCn1cc(C)cn1 ZINC000190098204 534406766 /nfs/dbraw/zinc/40/67/66/534406766.db2.gz OWNVZOMNWILUFR-UHFFFAOYSA-N 0 0 343.430 1.327 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1N1CCOCC1 ZINC000173958348 534409628 /nfs/dbraw/zinc/40/96/28/534409628.db2.gz SZBMUONHIMPOHY-GDBMZVCRSA-N 0 0 341.415 1.060 10 0 EDAERN Cc1ccncc1NC(=O)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000177965424 534424163 /nfs/dbraw/zinc/42/41/63/534424163.db2.gz DXVFOHNWESLEGI-UHFFFAOYSA-N 0 0 340.387 1.222 10 0 EDAERN O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1CNC(=O)C1 ZINC000154940857 534462654 /nfs/dbraw/zinc/46/26/54/534462654.db2.gz SYVXGPRAADXAKA-SECBINFHSA-N 0 0 349.188 1.709 10 0 EDAERN O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883818 534494005 /nfs/dbraw/zinc/49/40/05/534494005.db2.gz BYHACXVSUOZFBU-AWEZNQCLSA-N 0 0 339.399 1.620 10 0 EDAERN O=C(CN1CCC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168589506 534519742 /nfs/dbraw/zinc/51/97/42/534519742.db2.gz WAKNNOYGFBMYFR-NSHDSACASA-N 0 0 343.305 1.218 10 0 EDAERN O=C(CNC1(c2noc(C3CC3)n2)CCCC1)Nc1nncs1 ZINC000173707417 534587781 /nfs/dbraw/zinc/58/77/81/534587781.db2.gz QBDZHOZQFUMWRH-UHFFFAOYSA-N 0 0 334.405 1.796 10 0 EDAERN O=C(NCc1cccnc1)[C@H]1CCC[C@@H]1C(=O)NCc1cccnc1 ZINC000152975639 534685065 /nfs/dbraw/zinc/68/50/65/534685065.db2.gz CUJFUWLTVIAVCI-IRXDYDNUSA-N 0 0 338.411 1.826 10 0 EDAERN CC(C)(C)NC(=O)CS(=O)(=O)c1cc(Br)ccc1N ZINC000167144278 526313340 /nfs/dbraw/zinc/31/33/40/526313340.db2.gz AFXQRUJCFYFWID-UHFFFAOYSA-N 0 0 349.250 1.720 10 0 EDAERN CC(C)(C)OC(=O)CCCN1CCN(c2ccc3nncn3n2)CC1 ZINC000181807090 526350697 /nfs/dbraw/zinc/35/06/97/526350697.db2.gz KSLKKZPVDBLGLK-UHFFFAOYSA-N 0 0 346.435 1.368 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1nc2cccnc2[nH]1 ZINC000190216947 526399301 /nfs/dbraw/zinc/39/93/01/526399301.db2.gz DHEIHJLAAYIGCN-GFCCVEGCSA-N 0 0 345.403 1.974 10 0 EDAERN CC(=O)NCCCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000173926143 526739288 /nfs/dbraw/zinc/73/92/88/526739288.db2.gz KZSBIMJHCZMBSQ-DLBZAZTESA-N 0 0 333.432 1.810 10 0 EDAERN CC(=O)NCCCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000173926130 526739688 /nfs/dbraw/zinc/73/96/88/526739688.db2.gz KZSBIMJHCZMBSQ-IAGOWNOFSA-N 0 0 333.432 1.810 10 0 EDAERN CC(C)(C(=O)Nc1cc(N)ccc1Br)S(C)(=O)=O ZINC000159248306 527536306 /nfs/dbraw/zinc/53/63/06/527536306.db2.gz HMXYVPFJVYFRGU-UHFFFAOYSA-N 0 0 335.223 1.793 10 0 EDAERN CC(C)C1(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC000177399729 527613099 /nfs/dbraw/zinc/61/30/99/527613099.db2.gz OLLUXBIYEYDSLF-GOEBONIOSA-N 0 0 332.448 1.882 10 0 EDAERN CC1(C)C[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C(C)(C)O1 ZINC000181860592 527733090 /nfs/dbraw/zinc/73/30/90/527733090.db2.gz NQUKBSZKORCXSC-AWEZNQCLSA-N 0 0 336.436 1.848 10 0 EDAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1nnnn1C(C)C ZINC000171932270 527789904 /nfs/dbraw/zinc/78/99/04/527789904.db2.gz OJQUSENHPIWQFT-OAHLLOKOSA-N 0 0 331.420 1.860 10 0 EDAERN CCOC(=O)[C@@H](NC=O)[C@@H](O)c1ccc(C)cc1Br ZINC000164341796 527805426 /nfs/dbraw/zinc/80/54/26/527805426.db2.gz UXMKSBTWEORGOY-RYUDHWBXSA-N 0 0 330.178 1.469 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)C12CCOCC2 ZINC000187113310 527828170 /nfs/dbraw/zinc/82/81/70/527828170.db2.gz NJORFVRNPQZOAW-HZPDHXFCSA-N 0 0 344.415 1.672 10 0 EDAERN CCC[C@@H]1NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168907335 527867909 /nfs/dbraw/zinc/86/79/09/527867909.db2.gz ZOKQKDIRERYRHZ-NSHDSACASA-N 0 0 326.194 1.471 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCc2cnn(C)c2)C1 ZINC000171342549 527950688 /nfs/dbraw/zinc/95/06/88/527950688.db2.gz QERMGPANFHWQBT-HNNXBMFYSA-N 0 0 335.452 1.443 10 0 EDAERN CC(C)[C@](C)(O)CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171926492 527962327 /nfs/dbraw/zinc/96/23/27/527962327.db2.gz BKXLCWPDDLSDJH-MLGOLLRUSA-N 0 0 342.461 1.857 10 0 EDAERN CC(C)COCCNS(=O)(=O)c1cccc(F)c1C(N)=S ZINC000167399649 528097086 /nfs/dbraw/zinc/09/70/86/528097086.db2.gz PNBMHYFKHVQCQZ-UHFFFAOYSA-N 0 0 334.438 1.411 10 0 EDAERN CCOc1cc(C)nc(N2CCN(C(=O)/C=C/c3ccc[nH]3)CC2)n1 ZINC000187797449 528254908 /nfs/dbraw/zinc/25/49/08/528254908.db2.gz HNUOPUISVHMNNY-VOTSOKGWSA-N 0 0 341.415 1.874 10 0 EDAERN CCN[C@@H](c1cc2c(cc1Cl)NC(=O)C2)[C@@H](C)S(C)(=O)=O ZINC000168249336 528390966 /nfs/dbraw/zinc/39/09/66/528390966.db2.gz FDOPULBFZHUEQZ-XLKFXECMSA-N 0 0 330.837 1.918 10 0 EDAERN CC(C)Cn1cnc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000174974202 528737469 /nfs/dbraw/zinc/73/74/69/528737469.db2.gz MNKUNUNOHPNPEJ-CQSZACIVSA-N 0 0 326.466 1.398 10 0 EDAERN CCOC(=O)CN(c1ncc(I)cn1)C1CC1 ZINC000159279957 528807313 /nfs/dbraw/zinc/80/73/13/528807313.db2.gz YVLQNXGNYNOPMF-UHFFFAOYSA-N 0 0 347.156 1.613 10 0 EDAERN CC(C)[C@@H]1NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168905126 528813549 /nfs/dbraw/zinc/81/35/49/528813549.db2.gz ZHHVQNRZIFTCOI-LBPRGKRZSA-N 0 0 326.194 1.327 10 0 EDAERN CC[C@H]1CN(C(=O)Nc2nc3ccccn3n2)CCN1CCOC ZINC000184367857 529277399 /nfs/dbraw/zinc/27/73/99/529277399.db2.gz BBDHPJZKHRGIMP-ZDUSSCGKSA-N 0 0 332.408 1.304 10 0 EDAERN CC(C)(C)c1nn(-c2ccccc2)cc1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093884925 534923850 /nfs/dbraw/zinc/92/38/50/534923850.db2.gz MUMSEDGSJGSWNA-RDJZCZTQSA-N 0 0 340.427 1.999 10 0 EDAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)CCO1 ZINC000187777118 535122683 /nfs/dbraw/zinc/12/26/83/535122683.db2.gz SBRSNQUGCWZFCM-HOCLYGCPSA-N 0 0 337.464 1.890 10 0 EDAERN CC1([C@H]2CCCN(C(=O)N[C@@H]3CCCn4ncnc43)C2)OCCO1 ZINC000182845447 535204992 /nfs/dbraw/zinc/20/49/92/535204992.db2.gz RYKGUEOJYOJDNJ-QWHCGFSZSA-N 0 0 335.408 1.298 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](COCC)C1 ZINC000070928126 535298144 /nfs/dbraw/zinc/29/81/44/535298144.db2.gz OOYADKMCHWKBEO-GJZGRUSLSA-N 0 0 346.493 1.466 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[C@H]1CCCCO1 ZINC000248895092 535298723 /nfs/dbraw/zinc/29/87/23/535298723.db2.gz UWKVUSSQLUGQNL-CABCVRRESA-N 0 0 346.493 1.656 10 0 EDAERN CCN(CC)C(=O)CCCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000076281697 535416626 /nfs/dbraw/zinc/41/66/26/535416626.db2.gz VULWREXYOXPCEB-AWEZNQCLSA-N 0 0 348.447 1.961 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2F)C[C@H]1C ZINC000248440758 535605600 /nfs/dbraw/zinc/60/56/00/535605600.db2.gz JRKQYEQBJNRIQK-CQSZACIVSA-N 0 0 344.452 1.865 10 0 EDAERN CC[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)CCN1C[C@H](C)O ZINC000246952815 535840056 /nfs/dbraw/zinc/84/00/56/535840056.db2.gz SGANNYSMJKGXNA-GXTWGEPZSA-N 0 0 338.473 1.738 10 0 EDAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000245824052 535955999 /nfs/dbraw/zinc/95/59/99/535955999.db2.gz NPGYSKQRHJJIPG-AEGPPILISA-N 0 0 344.419 1.537 10 0 EDAERN CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nnnn2C(C)C)C1=O ZINC000195516454 535964595 /nfs/dbraw/zinc/96/45/95/535964595.db2.gz GGJMRQHROXWCDG-MRXNPFEDSA-N 0 0 346.366 1.750 10 0 EDAERN CNC(=O)NC(=O)CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246946448 536323264 /nfs/dbraw/zinc/32/32/64/536323264.db2.gz ZNRDABHMCCAQBQ-RYUDHWBXSA-N 0 0 345.321 1.269 10 0 EDAERN CN[C@H](C(=O)NCCc1c(C)[nH]c2ccccc21)c1cnn(C)c1 ZINC000262591254 536381758 /nfs/dbraw/zinc/38/17/58/536381758.db2.gz WHGFKVIWGAWLRP-KRWDZBQOSA-N 0 0 325.416 1.829 10 0 EDAERN COCCCNC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195513612 536565817 /nfs/dbraw/zinc/56/58/17/536565817.db2.gz JLEZTDCSIACHRS-AWEZNQCLSA-N 0 0 335.452 1.294 10 0 EDAERN COCCCNC(=O)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246941697 536570062 /nfs/dbraw/zinc/57/00/62/536570062.db2.gz ZGXKCCUCEZGLDD-DOMZBBRYSA-N 0 0 328.359 1.225 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CCC(F)(F)C2)cn1 ZINC000333057323 536945489 /nfs/dbraw/zinc/94/54/89/536945489.db2.gz RRRGHZXWDHBUBX-WCQYABFASA-N 0 0 327.331 1.971 10 0 EDAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CC[C@@H](C)[C@@H](O)C2)cn1 ZINC000333105310 536945607 /nfs/dbraw/zinc/94/56/07/536945607.db2.gz DJXGAGHUJSZWLK-AOLWHUPESA-N 0 0 335.404 1.333 10 0 EDAERN COc1ccc(Cl)cc1-c1c(N)[nH]c(N2CCOCC2)nc1=O ZINC000757179393 579965383 /nfs/dbraw/zinc/96/53/83/579965383.db2.gz DUUVEJPDHJVMKI-UHFFFAOYSA-N 0 0 336.779 1.930 10 0 EDAERN CC(C)(C)OC(=O)N1CCC[C@@]2(CCO[C@H]2CS(N)(=O)=O)C1 ZINC000757206568 579965701 /nfs/dbraw/zinc/96/57/01/579965701.db2.gz BBHNIIDAZAXLBO-SMDDNHRTSA-N 0 0 334.438 1.081 10 0 EDAERN O=C(C=Cc1ccc2c(c1)OCCO2)N1CCOC[C@H]1c1nc[nH]n1 ZINC000793509900 580846438 /nfs/dbraw/zinc/84/64/38/580846438.db2.gz QVVRRJFBTXMYFQ-LSYFEZSPSA-N 0 0 342.355 1.189 10 0 EDAERN Cc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888095048 591025415 /nfs/dbraw/zinc/02/54/15/591025415.db2.gz QKBRLHDKIZZUGR-TZMCWYRMSA-N 0 0 331.420 1.287 10 0 EDAERN CN1C(=O)CC[C@H](c2nc(Cn3ccnn3)no2)[C@@H]1c1ccccc1 ZINC000896693330 591583360 /nfs/dbraw/zinc/58/33/60/591583360.db2.gz LCENPCCYBAZSOV-BBRMVZONSA-N 0 0 338.371 1.787 10 0 EDAERN COC(=O)c1ccnc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)c1 ZINC000899089526 591681058 /nfs/dbraw/zinc/68/10/58/591681058.db2.gz OYODNTMYYOPJDI-ZDUSSCGKSA-N 0 0 341.371 1.424 10 0 EDAERN Cc1[nH]nc(I)c1C(=O)N1CC[C@H](CCO)C1 ZINC000897234893 591781104 /nfs/dbraw/zinc/78/11/04/591781104.db2.gz MMQFYVTYTRSZEE-MRVPVSSYSA-N 0 0 349.172 1.167 10 0 EDAERN Cc1nnc2n1C[C@@H](C(=O)NCC1(c3ccccc3C)CC1)NC2 ZINC000818110745 593669488 /nfs/dbraw/zinc/66/94/88/593669488.db2.gz RNAPRQVOCWUMTD-HNNXBMFYSA-N 0 0 325.416 1.215 10 0 EDAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ncc(F)cc2F)cn1 ZINC000818606407 593707394 /nfs/dbraw/zinc/70/73/94/593707394.db2.gz DMAIMDXYCKWSQM-QWHCGFSZSA-N 0 0 338.314 1.152 10 0 EDAERN CCCC[C@@H]1NC(=O)N(CN2CCC[C@H](NC(=O)CCC)C2)C1=O ZINC000101538713 595166455 /nfs/dbraw/zinc/16/64/55/595166455.db2.gz YVHDMVRFEQOHHY-KBPBESRZSA-N 0 0 338.452 1.435 10 0 EDAERN CCCS(=O)(=O)CCN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105865430 595481319 /nfs/dbraw/zinc/48/13/19/595481319.db2.gz VFHQZTRCUSWRQA-ZDUSSCGKSA-N 0 0 344.481 1.135 10 0 EDAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000112951360 595571994 /nfs/dbraw/zinc/57/19/94/595571994.db2.gz JNYVEMFZTFJWTA-OAHLLOKOSA-N 0 0 340.489 1.489 10 0 EDAERN Cc1cnn(CCC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1 ZINC000864842516 596383904 /nfs/dbraw/zinc/38/39/04/596383904.db2.gz QKQIQCOLGJMGMZ-CYBMUJFWSA-N 0 0 344.419 1.159 10 0 EDAERN CCn1c2ccccc2n(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1=S ZINC000120260142 596387495 /nfs/dbraw/zinc/38/74/95/596387495.db2.gz ZCGICFOLKDMQQF-BXUZGUMPSA-N 0 0 334.445 1.724 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(F)nc2)ncn1 ZINC000125794818 597116315 /nfs/dbraw/zinc/11/63/15/597116315.db2.gz VROFZSFILPBWMA-LBPRGKRZSA-N 0 0 345.382 1.843 10 0 EDAERN COC(=O)c1ccc(NC(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)s1 ZINC000888893566 597679269 /nfs/dbraw/zinc/67/92/69/597679269.db2.gz IZWKRHUKOPWURP-SNVBAGLBSA-N 0 0 349.416 1.778 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)OCCNc1ccc(C(F)(F)F)cn1 ZINC000153892508 696637206 /nfs/dbraw/zinc/63/72/06/696637206.db2.gz QDJMZRWRCRCRFD-NXEZZACHSA-N 0 0 332.278 1.865 10 0 EDAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCC2(C)OCCO2)C1 ZINC000185123384 698980139 /nfs/dbraw/zinc/98/01/39/698980139.db2.gz UHTIXRIOPXRILV-AWEZNQCLSA-N 0 0 336.436 1.945 10 0 EDAERN Cn1nccc1CCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000185896312 700290544 /nfs/dbraw/zinc/29/05/44/700290544.db2.gz WDMRINFGGYOLSE-AEFFLSMTSA-N 0 0 340.427 1.689 10 0 EDAERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000183643377 702199587 /nfs/dbraw/zinc/19/95/87/702199587.db2.gz LUIWRCRCPZILNG-SNVBAGLBSA-N 0 0 347.824 1.881 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)OCc1nccn1C)C(C)C ZINC000091108382 705996700 /nfs/dbraw/zinc/99/67/00/705996700.db2.gz AUMVNCLFSLHFTH-INIZCTEOSA-N 0 0 345.399 1.927 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC(C)C ZINC000057520855 707874559 /nfs/dbraw/zinc/87/45/59/707874559.db2.gz AJMSZXASTJBZBH-CJNGLKHVSA-N 0 0 334.416 1.899 10 0 EDAERN CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC000050202214 214049470 /nfs/dbraw/zinc/04/94/70/214049470.db2.gz RMTAZPUYUQDKKE-KCJUWKMLSA-N 0 0 343.177 1.463 10 0 EDAERN CCCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CC ZINC000050651739 214063180 /nfs/dbraw/zinc/06/31/80/214063180.db2.gz BNMRDYSXGKUNOZ-UHFFFAOYSA-N 0 0 334.463 1.552 10 0 EDAERN NC(=S)c1cc2c(nc1NC[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000050603177 214060160 /nfs/dbraw/zinc/06/01/60/214060160.db2.gz LKUDBWABUMVTOU-VIFPVBQESA-N 0 0 325.459 1.051 10 0 EDAERN COC(=O)[C@@](C)(Cn1nc(C)c(Br)c1C)NC1CC1 ZINC000050594991 214060325 /nfs/dbraw/zinc/06/03/25/214060325.db2.gz SDVBDDAPTQRFHT-CYBMUJFWSA-N 0 0 330.226 1.946 10 0 EDAERN C[C@@H](C1CC1)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N ZINC000050658217 214065030 /nfs/dbraw/zinc/06/50/30/214065030.db2.gz PMGMGPNCDFIYHX-VIFPVBQESA-N 0 0 332.447 1.091 10 0 EDAERN C[C@@H]1CCCCN1S(=O)(=O)Nc1ccc(F)c(C(N)=S)c1 ZINC000051637372 214098875 /nfs/dbraw/zinc/09/88/75/214098875.db2.gz CPAHRSAAHHPZMX-SECBINFHSA-N 0 0 331.438 1.991 10 0 EDAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC000052974638 214157315 /nfs/dbraw/zinc/15/73/15/214157315.db2.gz JNMZDIJNXOWAIZ-CVEARBPZSA-N 0 0 332.400 1.666 10 0 EDAERN O=C([O-])[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000054523424 214241917 /nfs/dbraw/zinc/24/19/17/214241917.db2.gz VVEOCHZTRRRQLT-GFCCVEGCSA-N 0 0 327.178 1.840 10 0 EDAERN COCCNCc1nnnn1-c1ccc(C)cc1Br ZINC000054744748 214254278 /nfs/dbraw/zinc/25/42/78/214254278.db2.gz ACNODEDELWPLIK-UHFFFAOYSA-N 0 0 326.198 1.469 10 0 EDAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)n1 ZINC000173427929 230938930 /nfs/dbraw/zinc/93/89/30/230938930.db2.gz MYCAFCKJNUWVBY-CHWSQXEVSA-N 0 0 336.461 1.948 10 0 EDAERN Cc1nn(C)c(C)c1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000173474365 230948652 /nfs/dbraw/zinc/94/86/52/230948652.db2.gz RRABMWOHMWYXQV-UHFFFAOYSA-N 0 0 330.436 1.860 10 0 EDAERN CC[C@]1(C)C(=O)N[C@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168879549 529391968 /nfs/dbraw/zinc/39/19/68/529391968.db2.gz BZEZUEUGFLUJEP-YMTOWFKASA-N 0 0 340.221 1.860 10 0 EDAERN O=C(Nc1ccc2c(c1)CCCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000173899704 231065622 /nfs/dbraw/zinc/06/56/22/231065622.db2.gz QNPGPJBTLJLCSJ-MRXNPFEDSA-N 0 0 331.416 1.950 10 0 EDAERN CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)CCO1 ZINC000184078922 529418371 /nfs/dbraw/zinc/41/83/71/529418371.db2.gz JDGGEBYIANUBME-SOUVJXGZSA-N 0 0 347.463 1.809 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC1(C(=O)OC)CC1 ZINC000187943684 529420261 /nfs/dbraw/zinc/42/02/61/529420261.db2.gz KOYJFSYQEXXZIL-HIFRSBDPSA-N 0 0 346.427 1.901 10 0 EDAERN CC[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1ccccc1F ZINC000187433107 529478393 /nfs/dbraw/zinc/47/83/93/529478393.db2.gz YJPHJETXNJUAHB-AWEZNQCLSA-N 0 0 349.406 1.903 10 0 EDAERN Nc1nonc1C(=O)Nc1ccc(I)cc1 ZINC000049834909 214033880 /nfs/dbraw/zinc/03/38/80/214033880.db2.gz CIRZCAIACXLDOR-UHFFFAOYSA-N 0 0 330.085 1.509 10 0 EDAERN O=C(N[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000097953489 219064062 /nfs/dbraw/zinc/06/40/62/219064062.db2.gz RFEUQYXHBJSVJU-XKQJLSEDSA-N 0 0 342.399 1.479 10 0 EDAERN CCc1ccc(C(=O)CCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154140154 529591805 /nfs/dbraw/zinc/59/18/05/529591805.db2.gz MYWYNRDJCFMKOK-QGZVFWFLSA-N 0 0 348.443 1.021 10 0 EDAERN COc1ccccc1NC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000049683191 214026065 /nfs/dbraw/zinc/02/60/65/214026065.db2.gz YBAKXPYFQJMIRS-GFCCVEGCSA-N 0 0 349.412 1.812 10 0 EDAERN COc1ccc(CNC(=O)c2nn3c(C)nnc3s2)cc1OC ZINC000049660241 214025388 /nfs/dbraw/zinc/02/53/88/214025388.db2.gz NHZOUAVHABRWIG-UHFFFAOYSA-N 0 0 333.373 1.441 10 0 EDAERN COc1ccc([C@@H]([NH3+])[C@H](C(=O)[O-])C(=O)OC(C)(C)C)cc1OC ZINC000098087816 219082023 /nfs/dbraw/zinc/08/20/23/219082023.db2.gz RMWZVIYUZICNQS-CHWSQXEVSA-N 0 0 325.361 1.746 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](C)c3cn(C)nc3C)CCO2)[nH]1 ZINC000178143157 529700564 /nfs/dbraw/zinc/70/05/64/529700564.db2.gz XYCRLDYXOVOVJI-MFKMUULPSA-N 0 0 347.423 1.253 10 0 EDAERN O=C(Nc1ccccc1)[C@@H]1C=CC([N+](=O)[O-])=C([N+](=O)[O-])[C@@]1(O)Cl ZINC000098090988 219083329 /nfs/dbraw/zinc/08/33/29/219083329.db2.gz DWTYPNIVYUDLQB-TVQRCGJNSA-N 0 0 339.691 1.504 10 0 EDAERN CC[C@H](OC)c1nc(N)c(I)c(COC)n1 ZINC000158519073 529714838 /nfs/dbraw/zinc/71/48/38/529714838.db2.gz YZYUOBPHWRZOFP-ZETCQYMHSA-N 0 0 337.161 1.907 10 0 EDAERN CC1(C)CN=C(CNC(=O)CN2CCN(c3ccccc3F)C2=O)O1 ZINC000049380879 214004005 /nfs/dbraw/zinc/00/40/05/214004005.db2.gz WJCLGEKABOHPQX-UHFFFAOYSA-N 0 0 348.378 1.391 10 0 EDAERN CNC(=O)C(C)(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000179004221 529839395 /nfs/dbraw/zinc/83/93/95/529839395.db2.gz FDWKOOCNNXBGDO-GOEBONIOSA-N 0 0 345.443 1.485 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H]3CSCCS3)CCO2)c1 ZINC000177281595 231846751 /nfs/dbraw/zinc/84/67/51/231846751.db2.gz PXXJPEKOGOZBPJ-CHWSQXEVSA-N 0 0 327.475 1.268 10 0 EDAERN CNC(=O)NC(=O)[C@H](C)Oc1c(C)cc(Br)cc1C=O ZINC000166944327 529880928 /nfs/dbraw/zinc/88/09/28/529880928.db2.gz HBPQLOIXOYIEOS-QMMMGPOBSA-N 0 0 343.177 1.793 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000166873881 529923075 /nfs/dbraw/zinc/92/30/75/529923075.db2.gz VRABTQCWEADTSZ-LLVKDONJSA-N 0 0 327.743 1.155 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000166882766 529923145 /nfs/dbraw/zinc/92/31/45/529923145.db2.gz PHPLFFVRNCJASK-CQSZACIVSA-N 0 0 331.416 1.660 10 0 EDAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000184112155 529923762 /nfs/dbraw/zinc/92/37/62/529923762.db2.gz VAJVRJZRNXSYKV-OAHLLOKOSA-N 0 0 341.415 1.507 10 0 EDAERN CNC(=O)c1cccc(C(=O)N2CCC(c3ccnn3C)CC2)c1 ZINC000173852087 529944445 /nfs/dbraw/zinc/94/44/45/529944445.db2.gz RARMVFKDUQAKDB-UHFFFAOYSA-N 0 0 326.400 1.800 10 0 EDAERN C[C@H]1CN(Cc2cnc(N)s2)CC[C@@H]1NS(=O)(=O)C1CC1 ZINC000725271326 539402558 /nfs/dbraw/zinc/40/25/58/539402558.db2.gz CKKLWXXYYKUMGC-CABZTGNLSA-N 0 0 330.479 1.018 10 0 EDAERN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C[C@@H](O)C(C)C)cc1 ZINC000158775331 530032087 /nfs/dbraw/zinc/03/20/87/530032087.db2.gz IMZHYDQOJASLIC-BXUZGUMPSA-N 0 0 328.434 1.179 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCC2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000179234269 530044431 /nfs/dbraw/zinc/04/44/31/530044431.db2.gz ZGRWRZLYKAARJB-WBVHZDCISA-N 0 0 334.391 1.888 10 0 EDAERN O=C(CNC(=O)c1ccc(F)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178002614 232055054 /nfs/dbraw/zinc/05/50/54/232055054.db2.gz LDQFZEUTCDTMDV-KBXCAEBGSA-N 0 0 334.391 1.709 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCOCC2CC2)C1 ZINC000101775964 219163454 /nfs/dbraw/zinc/16/34/54/219163454.db2.gz OWZJSYLPALUEIT-OAHLLOKOSA-N 0 0 325.453 1.893 10 0 EDAERN Cc1nc(N)nc(COc2ccc(Br)cc2)c1C(N)=O ZINC000066135700 215015436 /nfs/dbraw/zinc/01/54/36/215015436.db2.gz TYMFWXGJRINAPM-UHFFFAOYSA-N 0 0 337.177 1.808 10 0 EDAERN Cc1ccccc1[C@H](C)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000102683800 219222434 /nfs/dbraw/zinc/22/24/34/219222434.db2.gz HKRUWRDUQGXAFR-ZDUSSCGKSA-N 0 0 341.415 1.093 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000245757631 539595726 /nfs/dbraw/zinc/59/57/26/539595726.db2.gz ZUKFGWGTIJOZBI-SGMGOOAPSA-N 0 0 332.466 1.263 10 0 EDAERN COCCN([C@@H](C)COC)S(=O)(=O)c1sc(Cl)nc1C ZINC000042610125 213518100 /nfs/dbraw/zinc/51/81/00/213518100.db2.gz SWGSZJLBFSQXOE-QMMMGPOBSA-N 0 0 342.870 1.777 10 0 EDAERN COC[C@@H](O)CN(C)C(=O)Cc1csc(-c2cccs2)n1 ZINC000042500518 213509619 /nfs/dbraw/zinc/50/96/19/213509619.db2.gz GSWWIWNUQOQAPA-NSHDSACASA-N 0 0 326.443 1.880 10 0 EDAERN Cc1nn(C)c(C)c1CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000041594597 213456535 /nfs/dbraw/zinc/45/65/35/213456535.db2.gz BNHHAUJHMWXKFR-UHFFFAOYSA-N 0 0 336.373 1.362 10 0 EDAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)CC1 ZINC000068258473 215293938 /nfs/dbraw/zinc/29/39/38/215293938.db2.gz KDGPYAGOPUQZGB-CJNGLKHVSA-N 0 0 331.416 1.180 10 0 EDAERN O=C(NC[C@@]1(O)CCOC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000179629751 233254141 /nfs/dbraw/zinc/25/41/41/233254141.db2.gz ZYUITUILQHPALW-JSGCOSHPSA-N 0 0 332.322 1.611 10 0 EDAERN COc1ccc2[nH]c(=O)c(CCC(=O)NC[C@@H]3CCCO3)cc2c1 ZINC000041186898 213430114 /nfs/dbraw/zinc/43/01/14/213430114.db2.gz KXMZKJUOTOSPRT-HNNXBMFYSA-N 0 0 330.384 1.765 10 0 EDAERN C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000104205183 219361206 /nfs/dbraw/zinc/36/12/06/219361206.db2.gz WZAUVUYBMAXENY-VXNVDRBHSA-N 0 0 327.178 1.941 10 0 EDAERN CN1CCN(Nc2[nH+]cnc(Nc3ccc(C(=O)[O-])cc3)c2N)CC1 ZINC000040757061 213382749 /nfs/dbraw/zinc/38/27/49/213382749.db2.gz IEMKLXVMGMMPRS-UHFFFAOYSA-N 0 0 343.391 1.075 10 0 EDAERN CS(=O)(=O)N1CCC(Nc2ncc(Br)cc2N)CC1 ZINC000040713825 213373067 /nfs/dbraw/zinc/37/30/67/213373067.db2.gz HWXJVTJKHABTIC-UHFFFAOYSA-N 0 0 349.254 1.262 10 0 EDAERN COCCN[C@@]1(c2nc3c(s2)CCC3)CCCS(=O)(=O)C1 ZINC000069139692 215363140 /nfs/dbraw/zinc/36/31/40/215363140.db2.gz MQDSKGRDOGNORE-AWEZNQCLSA-N 0 0 330.475 1.272 10 0 EDAERN Nc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(Cl)c1Cl ZINC000069140178 215363186 /nfs/dbraw/zinc/36/31/86/215363186.db2.gz AJDMTXIOMQVWTR-MRVPVSSYSA-N 0 0 337.228 1.883 10 0 EDAERN CCOc1cc(C)c(S(=O)(=O)NCCCNC(C)=O)cc1C ZINC000040633911 213362231 /nfs/dbraw/zinc/36/22/31/213362231.db2.gz GYQVRZYWPDTGAK-UHFFFAOYSA-N 0 0 328.434 1.507 10 0 EDAERN CC(=O)N1CCc2cc(S(=O)(=O)N3[C@H](C)COC[C@H]3C)ccc21 ZINC000040635227 213362237 /nfs/dbraw/zinc/36/22/37/213362237.db2.gz UEGQFLNZKZWIPU-VXGBXAGGSA-N 0 0 338.429 1.394 10 0 EDAERN COCCNc1cnn(-c2nc3ccccc3n2C)c(=O)c1Cl ZINC000040563469 213351147 /nfs/dbraw/zinc/35/11/47/213351147.db2.gz ZMNHJVHLCKMADQ-UHFFFAOYSA-N 0 0 333.779 1.831 10 0 EDAERN Cc1nc(N)sc1S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000069367087 215389011 /nfs/dbraw/zinc/38/90/11/215389011.db2.gz XDSCNMBQKUESQZ-LLVKDONJSA-N 0 0 330.479 1.283 10 0 EDAERN Cc1nc(C)c([C@@H](C)NS(=O)(=O)c2sc(=O)[nH]c2C)s1 ZINC000040519445 213331756 /nfs/dbraw/zinc/33/17/56/213331756.db2.gz ROEOYIGWGKBJSB-ZCFIWIBFSA-N 0 0 333.460 1.858 10 0 EDAERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C(=O)NC)cn1 ZINC000155678242 539926193 /nfs/dbraw/zinc/92/61/93/539926193.db2.gz XCMXEKUDGCQIIK-AWEZNQCLSA-N 0 0 333.436 1.348 10 0 EDAERN O=C([C@@H]1CNC(=O)C1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181461599 234195270 /nfs/dbraw/zinc/19/52/70/234195270.db2.gz FIPWQWAJLKDCQM-VIFPVBQESA-N 0 0 330.310 1.202 10 0 EDAERN CC(C)N(CC(N)=O)S(=O)(=O)c1cccc(Br)c1 ZINC000040413635 213300720 /nfs/dbraw/zinc/30/07/20/213300720.db2.gz SOOCLDMDFXCSNQ-UHFFFAOYSA-N 0 0 335.223 1.334 10 0 EDAERN CC(C)C(=O)NCCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000158916509 540001483 /nfs/dbraw/zinc/00/14/83/540001483.db2.gz QFJOVLZRMAWAAX-CYBMUJFWSA-N 0 0 334.420 1.475 10 0 EDAERN CSc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)cc1F)C(=O)N2 ZINC000040375586 213293317 /nfs/dbraw/zinc/29/33/17/213293317.db2.gz CEUHNCAQAXERDN-SNVBAGLBSA-N 0 0 335.364 1.970 10 0 EDAERN COCC(=O)NCCCc1nc2ccccc2n1CC(=O)NC(C)C ZINC000040300053 213289839 /nfs/dbraw/zinc/28/98/39/213289839.db2.gz FYUGZOZBQRFWCZ-UHFFFAOYSA-N 0 0 346.431 1.256 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCO)Cc1ccc(C)cc1 ZINC000182636546 234701376 /nfs/dbraw/zinc/70/13/76/234701376.db2.gz AQFIRUZZFHLFRV-INIZCTEOSA-N 0 0 343.431 1.934 10 0 EDAERN CN1CCO[C@H](CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000174392150 283023458 /nfs/dbraw/zinc/02/34/58/283023458.db2.gz WXWVUNNHWKHGNE-CQSZACIVSA-N 0 0 334.420 1.034 10 0 EDAERN Cc1nc(C)c(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)s1 ZINC000176950231 540103026 /nfs/dbraw/zinc/10/30/26/540103026.db2.gz UJWBIUGMZFPEJR-LBPRGKRZSA-N 0 0 326.447 1.810 10 0 EDAERN CCn1c(CCNC(=O)N2CCC[C@H]2C(=O)NC)nc2ccccc21 ZINC000179260183 540116202 /nfs/dbraw/zinc/11/62/02/540116202.db2.gz TVPKPDWLVYXIIW-HNNXBMFYSA-N 0 0 343.431 1.519 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000181863751 540128631 /nfs/dbraw/zinc/12/86/31/540128631.db2.gz WZCCXCAJVKYMKL-WMZOPIPTSA-N 0 0 349.475 1.690 10 0 EDAERN CN1C(=O)CC[C@H](C(=O)NCCCn2ccnn2)[C@@H]1c1ccccc1 ZINC000183021532 540135369 /nfs/dbraw/zinc/13/53/69/540135369.db2.gz YQXGVTUQXMZWEV-RDJZCZTQSA-N 0 0 341.415 1.394 10 0 EDAERN Cc1ccc([C@@H](CNC(=O)c2cnn(C)c2N)N2CCOCC2)s1 ZINC000185228038 540147551 /nfs/dbraw/zinc/14/75/51/540147551.db2.gz YHBIGZIZWUAGTA-CYBMUJFWSA-N 0 0 349.460 1.176 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cncnc1N1CCCC1 ZINC000184032076 235289614 /nfs/dbraw/zinc/28/96/14/235289614.db2.gz MCXBCSYKLQABFF-LLVKDONJSA-N 0 0 329.360 1.427 10 0 EDAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000190132414 540169199 /nfs/dbraw/zinc/16/91/99/540169199.db2.gz RKOYMIMFHMKHQR-ZIAGYGMSSA-N 0 0 346.391 1.978 10 0 EDAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000191927567 540176250 /nfs/dbraw/zinc/17/62/50/540176250.db2.gz DPTLSNBFALJWDN-BBRMVZONSA-N 0 0 342.399 1.803 10 0 EDAERN O=C(NC1CN(C(=O)c2ncc(Br)s2)C1)C1CC1 ZINC000192507621 540179308 /nfs/dbraw/zinc/17/93/08/540179308.db2.gz OBTXBHLOJCIOLX-UHFFFAOYSA-N 0 0 330.207 1.256 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2)C[C@@H]1C ZINC000105832976 219552425 /nfs/dbraw/zinc/55/24/25/219552425.db2.gz AMVBEVDHLOQJPM-GJZGRUSLSA-N 0 0 335.448 1.675 10 0 EDAERN C[C@H](CNC(=O)NC[C@@H](CCO)c1ccccc1)N1CCOCC1 ZINC000077531764 138253043 /nfs/dbraw/zinc/25/30/43/138253043.db2.gz OJMMNAUMGLEPIP-NVXWUHKLSA-N 0 0 335.448 1.173 10 0 EDAERN C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C(C)(C)C)cc1 ZINC000078263100 138256658 /nfs/dbraw/zinc/25/66/58/138256658.db2.gz VMDPERCFSJRNJL-LBPRGKRZSA-N 0 0 329.400 1.712 10 0 EDAERN O=C(NCCn1c(=O)oc2ccccc21)NC[C@@H]1CCCC[C@@H]1O ZINC000077823622 138255428 /nfs/dbraw/zinc/25/54/28/138255428.db2.gz YKAARXYYIAXKJV-JSGCOSHPSA-N 0 0 333.388 1.445 10 0 EDAERN CCNC(=O)c1ccc(CNC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000079182065 138260659 /nfs/dbraw/zinc/26/06/59/138260659.db2.gz XCLANOOTYYGKII-MRXNPFEDSA-N 0 0 346.431 1.246 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc2n[nH]c(C)c2c1 ZINC000088200060 138272033 /nfs/dbraw/zinc/27/20/33/138272033.db2.gz CHDOWBNPIDQMTR-GFCCVEGCSA-N 0 0 325.376 1.685 10 0 EDAERN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000038008754 213188961 /nfs/dbraw/zinc/18/89/61/213188961.db2.gz HEDWXWDMZBNYQX-LLVKDONJSA-N 0 0 332.809 1.841 10 0 EDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000090500610 138279206 /nfs/dbraw/zinc/27/92/06/138279206.db2.gz YTAQEOKUOARJET-RBSFLKMASA-N 0 0 330.384 1.103 10 0 EDAERN CS(=O)(=O)Nc1cccc(NC(=O)c2csc(CN)n2)c1 ZINC000090931459 138280870 /nfs/dbraw/zinc/28/08/70/138280870.db2.gz SVNSJCRJNKVXMJ-UHFFFAOYSA-N 0 0 326.403 1.226 10 0 EDAERN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccccc3C)CCO2)c1 ZINC000105891895 219582360 /nfs/dbraw/zinc/58/23/60/219582360.db2.gz BVQIEQJKDIGFST-SFHVURJKSA-N 0 0 342.443 1.517 10 0 EDAERN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@H]1CNC(=O)C1 ZINC000108982544 138305373 /nfs/dbraw/zinc/30/53/73/138305373.db2.gz ZOVAUJVAYKZQHF-GFCCVEGCSA-N 0 0 325.372 1.356 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1)CC2 ZINC000114976178 138310912 /nfs/dbraw/zinc/31/09/12/138310912.db2.gz CIVNMAGVHXYTCT-UONOGXRCSA-N 0 0 329.404 1.188 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc3c1OCO3)CC2 ZINC000114940063 138310946 /nfs/dbraw/zinc/31/09/46/138310946.db2.gz JUBUBFNGFIZCEX-LBPRGKRZSA-N 0 0 343.387 1.383 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NCC3(C)COC3)CC2)cs1 ZINC000116432457 138311911 /nfs/dbraw/zinc/31/19/11/138311911.db2.gz CMFQHNMYCZBGGU-UHFFFAOYSA-N 0 0 338.477 1.705 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2ccc(OC)nc2C)C[C@H]1C ZINC000123830409 138321680 /nfs/dbraw/zinc/32/16/80/138321680.db2.gz HAEOMZYFQSXZOK-CYBMUJFWSA-N 0 0 336.436 1.973 10 0 EDAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000125414179 138333608 /nfs/dbraw/zinc/33/36/08/138333608.db2.gz DQLXJIPPWGJABK-GFCCVEGCSA-N 0 0 340.383 1.612 10 0 EDAERN CN(C(=O)Cc1ccc(O)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000133865094 138399050 /nfs/dbraw/zinc/39/90/50/138399050.db2.gz FAZANXXSZXFTMC-OAHLLOKOSA-N 0 0 326.400 1.852 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)CC2 ZINC000133873106 138399531 /nfs/dbraw/zinc/39/95/31/138399531.db2.gz PSWWDGMEBPHSAP-NSHDSACASA-N 0 0 337.424 1.357 10 0 EDAERN CCOc1ccnc(N2CCN(C[C@H](O)COC(C)(C)C)CC2)n1 ZINC000105917245 219594377 /nfs/dbraw/zinc/59/43/77/219594377.db2.gz SOBOZGIJEULTDQ-AWEZNQCLSA-N 0 0 338.452 1.173 10 0 EDAERN CN(Cc1c(N)cccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000036869362 213124787 /nfs/dbraw/zinc/12/47/87/213124787.db2.gz VOHOYPKQIJDDGW-SECBINFHSA-N 0 0 333.251 1.650 10 0 EDAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000186838780 236038028 /nfs/dbraw/zinc/03/80/28/236038028.db2.gz DFMAGVYXIOWVDV-ZIAGYGMSSA-N 0 0 329.404 1.698 10 0 EDAERN C[C@@H]1CSCCN1S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000070222568 215684332 /nfs/dbraw/zinc/68/43/32/215684332.db2.gz XVAHHONXZUSWCV-SNVBAGLBSA-N 0 0 330.500 1.588 10 0 EDAERN O=C(NC1CN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C1)C1CC1 ZINC000187620324 236262489 /nfs/dbraw/zinc/26/24/89/236262489.db2.gz HWWQPCPLSOAHLW-BBWFWOEESA-N 0 0 325.412 1.492 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187924797 236343453 /nfs/dbraw/zinc/34/34/53/236343453.db2.gz DECYXFJGFFVXIL-XHDPSFHLSA-N 0 0 341.411 1.839 10 0 EDAERN C[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1N ZINC000035773731 213049363 /nfs/dbraw/zinc/04/93/63/213049363.db2.gz CPSRLUUDIICIDF-MRVPVSSYSA-N 0 0 335.223 1.441 10 0 EDAERN C[C@@H]1COCCN1CC(=O)Nc1ccc(N)cc1Br ZINC000035773425 213048996 /nfs/dbraw/zinc/04/89/96/213048996.db2.gz PGHOGDVTUXLXDQ-SECBINFHSA-N 0 0 328.210 1.691 10 0 EDAERN O=C([O-])C[NH+]1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000035680819 213045671 /nfs/dbraw/zinc/04/56/71/213045671.db2.gz YYHJOFXCBPIBQV-UHFFFAOYSA-N 0 0 331.185 1.790 10 0 EDAERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1C ZINC000188020594 236387498 /nfs/dbraw/zinc/38/74/98/236387498.db2.gz CEDITZLJXWTIPU-UHFFFAOYSA-N 0 0 329.400 1.369 10 0 EDAERN CCCS(=O)(=O)CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173453474 138670742 /nfs/dbraw/zinc/67/07/42/138670742.db2.gz NISVTZDOFVVMOK-NSHDSACASA-N 0 0 329.422 1.681 10 0 EDAERN Cc1cnn(CCNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000175041150 138691024 /nfs/dbraw/zinc/69/10/24/138691024.db2.gz ZSQDNRDXUSKBKC-UHFFFAOYSA-N 0 0 339.440 1.794 10 0 EDAERN CCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000071790777 215827010 /nfs/dbraw/zinc/82/70/10/215827010.db2.gz BGFQWCAIPCVIGZ-UHFFFAOYSA-N 0 0 342.236 1.280 10 0 EDAERN Cc1cc2cc(NC(=O)C(=O)N[C@@H]3CCc4ncnn4C3)ccc2[nH]1 ZINC000177629267 138732010 /nfs/dbraw/zinc/73/20/10/138732010.db2.gz NBLWXFFZUIPIIA-CYBMUJFWSA-N 0 0 338.371 1.138 10 0 EDAERN CCC(CC)[C@H](O)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181732922 138771204 /nfs/dbraw/zinc/77/12/04/138771204.db2.gz UDLTVBSNTCOADD-ZIAGYGMSSA-N 0 0 337.468 1.813 10 0 EDAERN Cc1cccc(NC(=O)C[S@@](=O)Cc2nnnn2C(C)C)c1C ZINC000176570474 237341842 /nfs/dbraw/zinc/34/18/42/237341842.db2.gz AEZUXBGEJUXZIU-QHCPKHFHSA-N 0 0 335.433 1.758 10 0 EDAERN COc1ccccc1CNS(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072239024 216077986 /nfs/dbraw/zinc/07/79/86/216077986.db2.gz JLGFUVSLVPCFFD-UHFFFAOYSA-N 0 0 344.396 1.754 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(F)c(F)c1 ZINC000182938039 138779823 /nfs/dbraw/zinc/77/98/23/138779823.db2.gz QQKROGNWLBJEMF-SECBINFHSA-N 0 0 335.310 1.479 10 0 EDAERN O=S(=O)(N[C@H]1CN2CCC1CC2)c1ccccc1Br ZINC000037382744 213143302 /nfs/dbraw/zinc/14/33/02/213143302.db2.gz JYWDMZDYVXWZGG-LBPRGKRZSA-N 0 0 345.262 1.822 10 0 EDAERN CS(=O)(=O)CCN1c2ccc(Br)cc2C(=O)C1=O ZINC000037744046 213164294 /nfs/dbraw/zinc/16/42/94/213164294.db2.gz CJRYTMRLQYISRA-UHFFFAOYSA-N 0 0 332.175 1.023 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(CO)CCCC1 ZINC000185556882 138806292 /nfs/dbraw/zinc/80/62/92/138806292.db2.gz DETDZXRWPCWMAQ-LBPRGKRZSA-N 0 0 337.424 1.111 10 0 EDAERN CCc1nnc(CC)n1-n1ccc2c(c(C)nc3nc(C)nn32)c1=O ZINC000072449463 216239088 /nfs/dbraw/zinc/23/90/88/216239088.db2.gz AIBKFISRUHBZRC-UHFFFAOYSA-N 0 0 338.375 1.084 10 0 EDAERN CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2cnn(C)c2)C12CCOCC2 ZINC000185959554 138811336 /nfs/dbraw/zinc/81/13/36/138811336.db2.gz CVQRPMLXFVKUFD-CABCVRRESA-N 0 0 336.436 1.536 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)NC[C@@H]3CCC(C)(C)O3)CC2)cn1 ZINC000188217680 138834504 /nfs/dbraw/zinc/83/45/04/138834504.db2.gz HTQCGKYFTGHCCF-INIZCTEOSA-N 0 0 349.479 1.595 10 0 EDAERN O=C(NC1CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1)C1CCC1 ZINC000188545304 138844494 /nfs/dbraw/zinc/84/44/94/138844494.db2.gz KUHPMXVBDMEMCS-UHFFFAOYSA-N 0 0 342.374 1.752 10 0 EDAERN CCc1ccc(N2C[C@H](C(=O)N3CCCNC(=O)[C@H]3C)CC2=O)cc1 ZINC000188913784 138855709 /nfs/dbraw/zinc/85/57/09/138855709.db2.gz JURXGHLYDOJRFK-UKRRQHHQSA-N 0 0 343.427 1.339 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189461259 138874276 /nfs/dbraw/zinc/87/42/76/138874276.db2.gz JRWFSEHFAFURQI-UHFFFAOYSA-N 0 0 329.400 1.177 10 0 EDAERN CCc1onc(C)c1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000132855027 223368202 /nfs/dbraw/zinc/36/82/02/223368202.db2.gz KBOQTMFSOISNQE-SJKOYZFVSA-N 0 0 335.404 1.638 10 0 EDAERN C[C@@H]1CN(S(=O)(=O)CCc2cccs2)C[C@@H]1N1CCOCC1 ZINC000189703460 138878970 /nfs/dbraw/zinc/87/89/70/138878970.db2.gz VCZSTXXXQFCLEK-HIFRSBDPSA-N 0 0 344.502 1.273 10 0 EDAERN CCOC[C@@H](NC(=O)N[C@H]1CCCn2nc(COC)nc21)C(C)C ZINC000191107352 138905058 /nfs/dbraw/zinc/90/50/58/138905058.db2.gz XLMGVVZREKYJSW-QWHCGFSZSA-N 0 0 339.440 1.620 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cc(F)ccc2NC(=O)[C@H]2C[C@H]2C)C1 ZINC000191476768 138915212 /nfs/dbraw/zinc/91/52/12/138915212.db2.gz PMDZRFRZNBGTOZ-RNCFNFMXSA-N 0 0 333.363 1.381 10 0 EDAERN CS[C@@H](C)CNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000134014803 223464968 /nfs/dbraw/zinc/46/49/68/223464968.db2.gz VTIZYOVAHLPXLP-UONOGXRCSA-N 0 0 326.466 1.662 10 0 EDAERN Nc1nnc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000020201339 212110854 /nfs/dbraw/zinc/11/08/54/212110854.db2.gz WVTFLMCAGIOKGU-UHFFFAOYSA-N 0 0 339.229 1.906 10 0 EDAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cn3)C2)c1 ZINC000193476058 138970450 /nfs/dbraw/zinc/97/04/50/138970450.db2.gz BCXZHQMLKQVLDX-CYBMUJFWSA-N 0 0 331.351 1.528 10 0 EDAERN COC(=O)[C@@H]1C[C@H]2c3ccc(O)cc3N(C(C)=O)[C@@H]2N1C(=O)OC ZINC000095936518 284192595 /nfs/dbraw/zinc/19/25/95/284192595.db2.gz KBAAHMQZNNBUBY-FPMFFAJLSA-N 0 0 334.328 1.182 10 0 EDAERN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@H]1c1ccco1 ZINC000176601651 296155031 /nfs/dbraw/zinc/15/50/31/296155031.db2.gz IKESPQYBXLEBQC-WFASDCNBSA-N 0 0 347.396 1.673 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccn(-c2ccc(F)cc2)n1 ZINC000112649070 284241449 /nfs/dbraw/zinc/24/14/49/284241449.db2.gz BRTUCXXSRUPYEW-LBPRGKRZSA-N 0 0 326.335 1.348 10 0 EDAERN O=C(NCC1CCOCC1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000194816861 139000702 /nfs/dbraw/zinc/00/07/02/139000702.db2.gz CBNKEXFZUITUFU-AWEZNQCLSA-N 0 0 338.429 1.631 10 0 EDAERN CCc1nnc(CN(CC)CC(=O)Nc2ccccc2OC)n1C ZINC000195017237 139004763 /nfs/dbraw/zinc/00/47/63/139004763.db2.gz LIPNKMLOUZPPHR-UHFFFAOYSA-N 0 0 331.420 1.847 10 0 EDAERN CCc1nnc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C ZINC000195102907 139007045 /nfs/dbraw/zinc/00/70/45/139007045.db2.gz RJESRMQGKOELKD-UHFFFAOYSA-N 0 0 342.447 1.932 10 0 EDAERN O=C(c1cnc(-c2ncccn2)s1)N1CCN2CCCC[C@H]2C1 ZINC000195447281 139016923 /nfs/dbraw/zinc/01/69/23/139016923.db2.gz JKXWPQZWZQVMAB-LBPRGKRZSA-N 0 0 329.429 1.910 10 0 EDAERN COCCCNC(=O)[C@H](C)Oc1c(Br)cccc1CO ZINC000048797243 213965492 /nfs/dbraw/zinc/96/54/92/213965492.db2.gz OXWPNPFIJJQBNB-JTQLQIEISA-N 0 0 346.221 1.861 10 0 EDAERN CN(CCOc1ccc(Br)cc1)C(=O)[C@H]1CNC(=O)C1 ZINC000110344670 220031299 /nfs/dbraw/zinc/03/12/99/220031299.db2.gz HASPGONFXIDSPD-SNVBAGLBSA-N 0 0 341.205 1.422 10 0 EDAERN CCOC(=O)[C@@H](C)NC[C@H](O)COc1ccc(Br)cc1 ZINC000049373530 214002989 /nfs/dbraw/zinc/00/29/89/214002989.db2.gz QFPPMFGOXZLSJK-PWSUYJOCSA-N 0 0 346.221 1.730 10 0 EDAERN CCn1ccnc1CN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000195515134 139019020 /nfs/dbraw/zinc/01/90/20/139019020.db2.gz DILJVGPRRNDMGA-UHFFFAOYSA-N 0 0 334.445 1.833 10 0 EDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCO[C@H]4CCCC[C@H]43)cc2[nH]1 ZINC000228813713 139023646 /nfs/dbraw/zinc/02/36/46/139023646.db2.gz ONDFUDPAJODGQY-KGLIPLIRSA-N 0 0 337.401 1.188 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)NC1CCSCC1 ZINC000136416758 223647735 /nfs/dbraw/zinc/64/77/35/223647735.db2.gz BPZCQHGKHKAGMX-UHFFFAOYSA-N 0 0 330.500 1.803 10 0 EDAERN CCOCCO[C@@H](C)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000110901461 220077551 /nfs/dbraw/zinc/07/75/51/220077551.db2.gz LEWNMTSGMMBRGO-HOTGVXAUSA-N 0 0 339.436 1.169 10 0 EDAERN CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000110987629 220087040 /nfs/dbraw/zinc/08/70/40/220087040.db2.gz CBTDMLUHGQIOKI-QWHCGFSZSA-N 0 0 332.404 1.181 10 0 EDAERN COc1cccc([C@H](C)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111084872 220097427 /nfs/dbraw/zinc/09/74/27/220097427.db2.gz JAVCWBJNPGYORS-WMLDXEAASA-N 0 0 329.400 1.923 10 0 EDAERN C[C@H](CNC(=O)NCCc1c(F)cccc1F)N1CCOCC1 ZINC000079981712 217269118 /nfs/dbraw/zinc/26/91/18/217269118.db2.gz MDLCIYCSTRIBSQ-GFCCVEGCSA-N 0 0 327.375 1.527 10 0 EDAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000111211256 220109605 /nfs/dbraw/zinc/10/96/05/220109605.db2.gz FOZNYQYCVGVTIC-CYBMUJFWSA-N 0 0 339.461 1.652 10 0 EDAERN COC(=O)CCCc1nc(CN2CCC(c3ccnn3C)CC2)no1 ZINC000111212482 220110023 /nfs/dbraw/zinc/11/00/23/220110023.db2.gz JTEZTYNAECDPQE-UHFFFAOYSA-N 0 0 347.419 1.678 10 0 EDAERN C[C@@H](NC(=O)c1csc(CN)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000237591156 139055017 /nfs/dbraw/zinc/05/50/17/139055017.db2.gz XSTYLHQGLDYXRR-SECBINFHSA-N 0 0 339.442 1.496 10 0 EDAERN O=C(CNC(=O)c1cccs1)N1CCO[C@H](c2nccs2)C1 ZINC000111620324 220172743 /nfs/dbraw/zinc/17/27/43/220172743.db2.gz QRDJVVKGCUOSQI-JTQLQIEISA-N 0 0 337.426 1.535 10 0 EDAERN COc1ccc(CCNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111791297 220191710 /nfs/dbraw/zinc/19/17/10/220191710.db2.gz HNMMSUMBEQAAGY-QGZVFWFLSA-N 0 0 344.415 1.545 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000081443309 217399006 /nfs/dbraw/zinc/39/90/06/217399006.db2.gz XPDMKGOYIDFRHH-IAQYHMDHSA-N 0 0 343.420 1.900 10 0 EDAERN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H]1COCCN1 ZINC000238075288 139068303 /nfs/dbraw/zinc/06/83/03/139068303.db2.gz UGRVVGONRAEUKX-OSPHWJPCSA-N 0 0 344.436 1.921 10 0 EDAERN C[C@H](CO)N(C)C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000245506179 139077329 /nfs/dbraw/zinc/07/73/29/139077329.db2.gz NKYLZPOLCJKHFN-MCIONIFRSA-N 0 0 341.477 1.532 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)CCCC(=O)NC(C)C)CCO2)c1 ZINC000112117602 220245870 /nfs/dbraw/zinc/24/58/70/220245870.db2.gz PKRVDAYSCCYXHI-OAHLLOKOSA-N 0 0 336.436 1.114 10 0 EDAERN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C[C@H]1C ZINC000246176087 139097884 /nfs/dbraw/zinc/09/78/84/139097884.db2.gz DUGUVCCZEWTYOZ-XBFCOCLRSA-N 0 0 342.486 1.611 10 0 EDAERN C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)C[C@H]1N1CCOCC1 ZINC000246406911 139107407 /nfs/dbraw/zinc/10/74/07/139107407.db2.gz DUTUABYJYLXSAP-SMDDNHRTSA-N 0 0 346.399 1.306 10 0 EDAERN COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246569392 139113362 /nfs/dbraw/zinc/11/33/62/139113362.db2.gz SKYUYIRRYASVEA-XJKSGUPXSA-N 0 0 340.445 1.036 10 0 EDAERN C[C@H](NC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)C(=O)N(C)C ZINC000246594038 139114041 /nfs/dbraw/zinc/11/40/41/139114041.db2.gz OHWNVWSUTMJIBF-CHIMOYNISA-N 0 0 341.358 1.259 10 0 EDAERN C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1N1CCOCC1 ZINC000246616577 139115321 /nfs/dbraw/zinc/11/53/21/139115321.db2.gz YNGLTVLCYIHBHR-JLZZUVOBSA-N 0 0 326.387 1.651 10 0 EDAERN CC(=O)N(C)CC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246888259 139125539 /nfs/dbraw/zinc/12/55/39/139125539.db2.gz MZCIYWJMFYEZSX-TZMCWYRMSA-N 0 0 339.461 1.104 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)C[C@@H]1C ZINC000247105554 139135657 /nfs/dbraw/zinc/13/56/57/139135657.db2.gz IPQGAQKROUORFR-YZUHTNEWSA-N 0 0 325.497 1.722 10 0 EDAERN O=C(c1cccc2c1OCC(=O)N2)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000329154295 296256457 /nfs/dbraw/zinc/25/64/57/296256457.db2.gz BHQBEIAWCNEVPX-KCPJHIHWSA-N 0 0 346.383 1.669 10 0 EDAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3ccc(C)cc3)CCO2)[nH]1 ZINC000247173084 139138862 /nfs/dbraw/zinc/13/88/62/139138862.db2.gz RGVAUWGLHFZRAZ-GOEBONIOSA-N 0 0 332.404 1.235 10 0 EDAERN C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000247215137 139141068 /nfs/dbraw/zinc/14/10/68/139141068.db2.gz QAFNZIMXAHZQRT-WMLDXEAASA-N 0 0 345.422 1.802 10 0 EDAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000247266856 139143092 /nfs/dbraw/zinc/14/30/92/139143092.db2.gz XWONKBHTMCROGX-JSGCOSHPSA-N 0 0 345.399 1.138 10 0 EDAERN CCCCCOC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000012126963 211299894 /nfs/dbraw/zinc/29/98/94/211299894.db2.gz MCGPAECJPQSRHB-UHFFFAOYSA-N 0 0 337.401 1.599 10 0 EDAERN CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)CCc1c(C)n[nH]c1C)CC2 ZINC000091724851 218053491 /nfs/dbraw/zinc/05/34/91/218053491.db2.gz ZXDAILZSNYRMLQ-WBVHZDCISA-N 0 0 335.448 1.738 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000248653303 139170403 /nfs/dbraw/zinc/17/04/03/139170403.db2.gz YSQBMGLPLWRWQH-WBVHZDCISA-N 0 0 347.459 1.308 10 0 EDAERN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091780804 218065211 /nfs/dbraw/zinc/06/52/11/218065211.db2.gz IXQKFABNBBLAAA-JQWIXIFHSA-N 0 0 326.780 1.128 10 0 EDAERN COc1ccc(Br)cc1CN1CCOC[C@H]1C(N)=O ZINC000092229984 218127775 /nfs/dbraw/zinc/12/77/75/218127775.db2.gz ODVASHATYSPNPA-NSHDSACASA-N 0 0 329.194 1.144 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn(C)nc1C(C)(C)C ZINC000092870750 218178820 /nfs/dbraw/zinc/17/88/20/218178820.db2.gz VZEMMABGOUQAPS-LBPRGKRZSA-N 0 0 346.435 1.720 10 0 EDAERN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H](O)C[C@@H]1CO ZINC000249280473 139190059 /nfs/dbraw/zinc/19/00/59/139190059.db2.gz GHWBBDKYXNKDIZ-TUAOUCFPSA-N 0 0 342.823 1.412 10 0 EDAERN Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000093885378 218255139 /nfs/dbraw/zinc/25/51/39/218255139.db2.gz QZHGFEZGRGTBRX-GOEBONIOSA-N 0 0 346.818 1.972 10 0 EDAERN O=C(CN1C(=O)c2ccccc2C1=O)Nc1onc2c1CCCC2 ZINC000008976576 211025358 /nfs/dbraw/zinc/02/53/58/211025358.db2.gz GZXVEKWZTUEUGX-UHFFFAOYSA-N 0 0 325.324 1.788 10 0 EDAERN CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CC3)C2=O)cc1 ZINC000008883556 211016021 /nfs/dbraw/zinc/01/60/21/211016021.db2.gz GOJHYTDJXHBRAC-KRWDZBQOSA-N 0 0 331.372 1.131 10 0 EDAERN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCCc2c(N)cccc21 ZINC000261697501 139218419 /nfs/dbraw/zinc/21/84/19/139218419.db2.gz CDABSJZMGJPPGZ-GFCCVEGCSA-N 0 0 330.432 1.134 10 0 EDAERN Nc1cccc2c1CCCN2C(=O)CSCC(=O)N1CCOCC1 ZINC000261774989 139224949 /nfs/dbraw/zinc/22/49/49/139224949.db2.gz NCSHDTGTZXQXHP-UHFFFAOYSA-N 0 0 349.456 1.140 10 0 EDAERN Cc1nccc([C@@H]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3O2)n1 ZINC000096070488 218569896 /nfs/dbraw/zinc/56/98/96/218569896.db2.gz XIEAYCGVXPQEGY-RRQGHBQHSA-N 0 0 345.424 1.936 10 0 EDAERN O=S(=O)(c1ccc(Br)cc1)N1CCc2n[nH]cc2C1 ZINC000006772916 210708023 /nfs/dbraw/zinc/70/80/23/210708023.db2.gz DHICWBCHLQFHOB-UHFFFAOYSA-N 0 0 342.218 1.919 10 0 EDAERN Cc1cccc(S(=O)(=O)N2CCC[C@H](C[NH2+]CC(=O)[O-])C2)c1 ZINC000262586248 139288473 /nfs/dbraw/zinc/28/84/73/139288473.db2.gz ZTGYPYKHKNNGRL-CYBMUJFWSA-N 0 0 326.418 1.070 10 0 EDAERN CC(C)c1nnc(CNC(=O)c2ccc(OCC(N)=O)cc2)s1 ZINC000262658810 139293854 /nfs/dbraw/zinc/29/38/54/139293854.db2.gz LEFIEFCJRMFYQR-UHFFFAOYSA-N 0 0 334.401 1.456 10 0 EDAERN Cc1[nH]nc(C(C)C)c1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000152954594 224037345 /nfs/dbraw/zinc/03/73/45/224037345.db2.gz ONHYGIXHKUADRX-UHFFFAOYSA-N 0 0 328.420 1.984 10 0 EDAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000152964919 224037873 /nfs/dbraw/zinc/03/78/73/224037873.db2.gz YCUTUQWZJRUOSD-LZQZEXGQSA-N 0 0 344.455 1.870 10 0 EDAERN C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)c1ccc2c(c1)NC(=O)CO2 ZINC000262904065 139311812 /nfs/dbraw/zinc/31/18/12/139311812.db2.gz DXQUVPGBLBGMGY-KWQFWETISA-N 0 0 325.315 1.192 10 0 EDAERN COCCN1CCN(C(=O)CSc2nnc3ccccn32)C[C@H]1C ZINC000183625814 532949849 /nfs/dbraw/zinc/94/98/49/532949849.db2.gz CHERZWRYPKSNGK-CYBMUJFWSA-N 0 0 349.460 1.001 10 0 EDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)N3CCC[C@H](C)C3)C2)c1 ZINC000111360970 207585224 /nfs/dbraw/zinc/58/52/24/207585224.db2.gz XJGRCQAPFOCWTJ-ZFWWWQNUSA-N 0 0 326.466 1.805 10 0 EDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCc3ccccc32)C1 ZINC000263091986 139321837 /nfs/dbraw/zinc/32/18/37/139321837.db2.gz VRDUCBYCGJBNIR-XUJLQICISA-N 0 0 331.416 1.911 10 0 EDAERN COc1ncccc1CNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153395940 224097542 /nfs/dbraw/zinc/09/75/42/224097542.db2.gz SEYKAQZIOWNOND-UHFFFAOYSA-N 0 0 342.403 1.666 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccccc1OCC(F)F)[C@@H]1CCCO1 ZINC000153403680 224099416 /nfs/dbraw/zinc/09/94/16/224099416.db2.gz XMNPOCVCNKWNHP-JQWIXIFHSA-N 0 0 342.342 1.953 10 0 EDAERN CNc1nc(-c2cn[nH]n2)nc(COC)c1I ZINC000159016209 533072231 /nfs/dbraw/zinc/07/22/31/533072231.db2.gz BGQHTLUNMKTHMW-UHFFFAOYSA-N 0 0 346.132 1.054 10 0 EDAERN CNc1ncc(S(=O)(=O)N[C@H]2CCCCC[C@H]2O)cc1Cl ZINC000136033013 533088890 /nfs/dbraw/zinc/08/88/90/533088890.db2.gz NYPWRLQBLUPYQZ-NWDGAFQWSA-N 0 0 333.841 1.749 10 0 EDAERN COc1ccsc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180973892 533099661 /nfs/dbraw/zinc/09/96/61/533099661.db2.gz MQMZLUPGCOOHBT-LLVKDONJSA-N 0 0 342.446 1.449 10 0 EDAERN COc1ccccc1C[C@@H](C)CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648453 220362843 /nfs/dbraw/zinc/36/28/43/220362843.db2.gz QKWJPWMQTRHMNU-HIFRSBDPSA-N 0 0 328.416 1.987 10 0 EDAERN Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCc4ncnn4C3)c2)cs1 ZINC000112649563 220364516 /nfs/dbraw/zinc/36/45/16/220364516.db2.gz UDEZHPYVICRNSM-NSHDSACASA-N 0 0 328.401 1.783 10 0 EDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1Br ZINC000112656037 220365926 /nfs/dbraw/zinc/36/59/26/220365926.db2.gz CPGHUOVVRUNRMO-VIFPVBQESA-N 0 0 339.168 1.925 10 0 EDAERN CC(C)C(=O)Nc1nc(CC(=O)N[C@H]2CCc3ncnn3C2)cs1 ZINC000112662401 220367924 /nfs/dbraw/zinc/36/79/24/220367924.db2.gz AHAOORLKLKDINC-JTQLQIEISA-N 0 0 348.432 1.003 10 0 EDAERN COc1c(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(C)nn1C ZINC000112670544 220370529 /nfs/dbraw/zinc/37/05/29/220370529.db2.gz JESIYWPQUMXODC-UHFFFAOYSA-N 0 0 331.420 1.793 10 0 EDAERN COc1ccc(C)cc1CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112741158 220392567 /nfs/dbraw/zinc/39/25/67/220392567.db2.gz KIRBIYZQDPDODE-AWEZNQCLSA-N 0 0 329.404 1.452 10 0 EDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)COc2cccc(C=O)c2)C1 ZINC000113163823 220470007 /nfs/dbraw/zinc/47/00/07/220470007.db2.gz LCVWVOPCLHXVCT-OAHLLOKOSA-N 0 0 332.400 1.785 10 0 EDAERN COc1cccc(-c2cc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C)n(C)n2)c1 ZINC000153910771 224174986 /nfs/dbraw/zinc/17/49/86/224174986.db2.gz AEVQIAVHDXVKLM-GXFFZTMASA-N 0 0 328.372 1.559 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116588192 220975041 /nfs/dbraw/zinc/97/50/41/220975041.db2.gz FZCPEQSFMMOSFN-ZDUSSCGKSA-N 0 0 342.399 1.773 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCc3ccccn3)C2)n1 ZINC000117022102 221022991 /nfs/dbraw/zinc/02/29/91/221022991.db2.gz RKJBDFRWQNMDDL-MRXNPFEDSA-N 0 0 342.447 1.954 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NCC[S@](=O)C(C)(C)C)C2)cn1 ZINC000116967312 221018324 /nfs/dbraw/zinc/01/83/24/221018324.db2.gz SMFQAWOSAUUXQG-VERVWZFWSA-N 0 0 326.466 1.466 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2ccc(SC)cc2)C[C@H]1C ZINC000117369327 221057819 /nfs/dbraw/zinc/05/78/19/221057819.db2.gz FLUSJCUWADBUDF-CYBMUJFWSA-N 0 0 344.502 1.750 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(Br)c[nH]2)C[C@H]1C ZINC000117281114 221041737 /nfs/dbraw/zinc/04/17/37/221041737.db2.gz GJNZKGHFSMWEPA-LLVKDONJSA-N 0 0 344.253 1.960 10 0 EDAERN COCCN1CCN(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C[C@@H]1C ZINC000117292528 221044854 /nfs/dbraw/zinc/04/48/54/221044854.db2.gz WVUFQKLYVXYRPF-QWHCGFSZSA-N 0 0 342.386 1.911 10 0 EDAERN COCCN1CCN(C(=O)NCCCc2ccc(OC)cc2)C[C@H]1C ZINC000117483518 221070967 /nfs/dbraw/zinc/07/09/67/221070967.db2.gz XFASYXYFONWDJA-MRXNPFEDSA-N 0 0 349.475 1.990 10 0 EDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)C[C@@H]1C ZINC000117522697 221074163 /nfs/dbraw/zinc/07/41/63/221074163.db2.gz ZBYXJLIKADZADZ-NSHDSACASA-N 0 0 341.358 1.082 10 0 EDAERN COc1ccc(CCNC(=O)NCCn2cc(C)cn2)cc1OC ZINC000117951678 221102776 /nfs/dbraw/zinc/10/27/76/221102776.db2.gz ITMUJBHIEIOZRK-UHFFFAOYSA-N 0 0 332.404 1.751 10 0 EDAERN COc1ccc(C(=O)N(C)C)cc1NC(=O)NCCn1cc(C)cn1 ZINC000118014376 221106560 /nfs/dbraw/zinc/10/65/60/221106560.db2.gz PAEOOICSVFSIRV-UHFFFAOYSA-N 0 0 345.403 1.724 10 0 EDAERN COc1ccc([C@@H](CC(=O)NCCn2cc(C)cn2)NC(C)=O)cc1 ZINC000117817987 221092597 /nfs/dbraw/zinc/09/25/97/221092597.db2.gz PYXZAIOUTXCQDO-QGZVFWFLSA-N 0 0 344.415 1.584 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)c1 ZINC000117817289 221092957 /nfs/dbraw/zinc/09/29/57/221092957.db2.gz JOQPKANXSRZGTO-SIWZUTFBSA-N 0 0 332.448 1.735 10 0 EDAERN CCCOc1cccc(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000118133255 221128156 /nfs/dbraw/zinc/12/81/56/221128156.db2.gz BXWCFHFTLFXGSM-UHFFFAOYSA-N 0 0 330.388 1.735 10 0 EDAERN CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118672772 221167882 /nfs/dbraw/zinc/16/78/82/221167882.db2.gz VNRWWOCOKQAWHM-CQSZACIVSA-N 0 0 347.463 1.504 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCC(C)(C)C[C@H](C)O)CCO2)[nH]1 ZINC000119139582 221252262 /nfs/dbraw/zinc/25/22/62/221252262.db2.gz MBKHIWOUKZSXDF-RYUDHWBXSA-N 0 0 339.440 1.247 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1)CC2 ZINC000119571522 221350891 /nfs/dbraw/zinc/35/08/91/221350891.db2.gz HBTKBUIHJBIFFC-ZDUSSCGKSA-N 0 0 345.378 1.610 10 0 EDAERN CCS(=O)(=O)N1CC[C@H](OC)[C@H](Cc2ccc(OC)cc2)C1 ZINC000253494837 257658966 /nfs/dbraw/zinc/65/89/66/257658966.db2.gz YZSAVDHNINONSY-ZBFHGGJFSA-N 0 0 327.446 1.924 10 0 EDAERN O=C(Nc1cccnc1)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2OCC[C@@H]21 ZINC000247478998 257683373 /nfs/dbraw/zinc/68/33/73/257683373.db2.gz IHFGCCKINXJLLZ-KFWWJZLASA-N 0 0 343.362 1.491 10 0 EDAERN Cc1ccc(-c2csc3nc4c(c(=O)n(C)c(=O)n4C)n23)cc1 ZINC000027027798 258005611 /nfs/dbraw/zinc/00/56/11/258005611.db2.gz SIZWWQMYVUNWHN-UHFFFAOYSA-N 0 0 326.381 1.922 10 0 EDAERN COc1cc(C(=O)N[C@H]2CCCO[C@@H]2c2ccnc(OC)c2)on1 ZINC000299742719 258009630 /nfs/dbraw/zinc/00/96/30/258009630.db2.gz IQFXKXXEIXNOTI-XHDPSFHLSA-N 0 0 333.344 1.737 10 0 EDAERN COc1ccc(Br)cc1-n1c(=O)[nH]cc(C(C)=O)c1=O ZINC000159265908 533262870 /nfs/dbraw/zinc/26/28/70/533262870.db2.gz CSMIBMOVJJUZRB-UHFFFAOYSA-N 0 0 339.145 1.500 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NOCc1ccc(F)cc1 ZINC000183746031 533284369 /nfs/dbraw/zinc/28/43/69/533284369.db2.gz OEMFWDQZXAHSMC-ZDUSSCGKSA-N 0 0 349.366 1.830 10 0 EDAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(N)cc(Br)c1 ZINC000165270276 533392092 /nfs/dbraw/zinc/39/20/92/533392092.db2.gz ZAPZPVLESHNLRW-LLVKDONJSA-N 0 0 327.178 1.809 10 0 EDAERN COc1cccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1OC ZINC000173848539 533403296 /nfs/dbraw/zinc/40/32/96/533403296.db2.gz BXKTUMQFSFKSPO-UKRRQHHQSA-N 0 0 334.416 1.497 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000168903295 533548806 /nfs/dbraw/zinc/54/88/06/533548806.db2.gz LEWMKLIUOXCETQ-UPONEAKYSA-N 0 0 336.146 1.881 10 0 EDAERN COc1cc(C)cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O ZINC000173981656 533618958 /nfs/dbraw/zinc/61/89/58/533618958.db2.gz UCYQFHXYNVUXKX-UKRRQHHQSA-N 0 0 334.416 1.502 10 0 EDAERN Cc1cc(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)nc2ccccc12 ZINC000329040084 140692278 /nfs/dbraw/zinc/69/22/78/140692278.db2.gz DFJNNMQPXOPQAM-GFCCVEGCSA-N 0 0 334.397 1.087 10 0 EDAERN CC1(C)CN(C(=O)Cn2ncc(=O)c3ccccc32)[C@H]1[C@H]1CCCO1 ZINC000329740705 140758286 /nfs/dbraw/zinc/75/82/86/140758286.db2.gz VMQSARGDEAJPIQ-AEFFLSMTSA-N 0 0 341.411 1.813 10 0 EDAERN CO[C@H]1CN(C(=O)Cc2cc(F)cc3c2OCOC3)C[C@@H]1OC ZINC000330145399 140806227 /nfs/dbraw/zinc/80/62/27/140806227.db2.gz SEKDBTVMWYDLRL-KBPBESRZSA-N 0 0 325.336 1.107 10 0 EDAERN O=C(Nc1cccc2c1CCO2)N1CCN(Cc2ccon2)CC1 ZINC000333027414 141252106 /nfs/dbraw/zinc/25/21/06/141252106.db2.gz LERDZZXUZUEQKR-UHFFFAOYSA-N 0 0 328.372 1.959 10 0 EDAERN C[C@@H]1CCCc2nc(S(=O)(=O)NCCC3CCOCC3)cn21 ZINC000333139331 141270442 /nfs/dbraw/zinc/27/04/42/141270442.db2.gz JDKTWLOOSNNXNQ-GFCCVEGCSA-N 0 0 327.450 1.875 10 0 EDAERN Cc1ccc(N2CCC(NC(=O)c3cnn4ncccc34)CC2)nc1 ZINC000333215068 141282231 /nfs/dbraw/zinc/28/22/31/141282231.db2.gz DJXKTNROOODYJE-UHFFFAOYSA-N 0 0 336.399 1.832 10 0 EDAERN Cc1cc(C)n(CC(=O)NC[C@H]2Cc3ccccc3N(C)C2)c(=O)n1 ZINC000333364509 141305946 /nfs/dbraw/zinc/30/59/46/141305946.db2.gz UZUUXBDLXDUARV-OAHLLOKOSA-N 0 0 340.427 1.285 10 0 EDAERN CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)Cc1ccnn1C ZINC000333393947 141310990 /nfs/dbraw/zinc/31/09/90/141310990.db2.gz ZVKMHMDHJVEEIN-YJBOKZPZSA-N 0 0 327.432 1.509 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CCc2cccnc21)C(=O)NCC[NH+]1CCCCC1 ZINC000333486041 141325060 /nfs/dbraw/zinc/32/50/60/141325060.db2.gz QCDXGHKUKJKKHV-GDBMZVCRSA-N 0 0 344.459 1.218 10 0 EDAERN O=C(NCc1ccc(-n2cncn2)cc1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000333523907 141331372 /nfs/dbraw/zinc/33/13/72/141331372.db2.gz ZXURSXUTMPEFPC-ARFHVFGLSA-N 0 0 327.388 1.634 10 0 EDAERN COc1ccc(Br)cc1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093885161 286270341 /nfs/dbraw/zinc/27/03/41/286270341.db2.gz SVQZPGYCIGALIK-PWSUYJOCSA-N 0 0 327.178 1.287 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)c2cnc(Cl)cn2)C12CCOCC2 ZINC000192936868 286381596 /nfs/dbraw/zinc/38/15/96/286381596.db2.gz PBSNHIILCDNJKD-NWDGAFQWSA-N 0 0 325.796 1.834 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCC(=O)NCC2CC2)C12CCCC2 ZINC000183797262 286459513 /nfs/dbraw/zinc/45/95/13/286459513.db2.gz FQUDHKFEFFTLME-CABCVRRESA-N 0 0 337.464 1.892 10 0 EDAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000178295876 304411958 /nfs/dbraw/zinc/41/19/58/304411958.db2.gz UZHYQJONUSHUEH-WCQYABFASA-N 0 0 345.428 1.973 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(OC)nc1 ZINC000073568078 287261105 /nfs/dbraw/zinc/26/11/05/287261105.db2.gz MUDLRZXRCMPULA-AWEZNQCLSA-N 0 0 334.420 1.633 10 0 EDAERN C[C@H](CN1CCCC1=O)NC(=O)c1cccc(N)c1Br ZINC000158907115 225107834 /nfs/dbraw/zinc/10/78/34/225107834.db2.gz ZEVDTNNNBGWZIV-SECBINFHSA-N 0 0 340.221 1.772 10 0 EDAERN Cc1cc(N)ccc1S(=O)(=O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000165390820 226123137 /nfs/dbraw/zinc/12/31/37/226123137.db2.gz AQSDKEMJMQFHBY-QWHCGFSZSA-N 0 0 331.459 1.707 10 0 EDAERN [NH3+]Cc1ccccc1Nc1nc[n-]c(=O)c1I ZINC000165423234 226123686 /nfs/dbraw/zinc/12/36/86/226123686.db2.gz HTRNPXMLXPNFCA-UHFFFAOYSA-N 0 0 342.140 1.577 10 0 EDAERN C[C@H](Cn1c(=O)[nH]c(Cl)c(-c2ccccc2)c1=O)[S@](C)=O ZINC000166737753 226167049 /nfs/dbraw/zinc/16/70/49/226167049.db2.gz GVONCXZLBYQWKN-AOUSDQRYSA-N 0 0 326.805 1.624 10 0 EDAERN C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)C1 ZINC000167584597 226194262 /nfs/dbraw/zinc/19/42/62/226194262.db2.gz GDECTCDTNDYKJO-HTQZYQBOSA-N 0 0 339.244 1.967 10 0 EDAERN Cc1cc(Br)cc(N)c1NC(=O)[C@H](C)S(C)(=O)=O ZINC000167833758 226200403 /nfs/dbraw/zinc/20/04/03/226200403.db2.gz NDIWUEKEWAPUAT-ZETCQYMHSA-N 0 0 335.223 1.711 10 0 EDAERN O=C(CCc1cccc(Br)c1)N1CCO[C@@H](CO)C1 ZINC000168338538 226213934 /nfs/dbraw/zinc/21/39/34/226213934.db2.gz BFFPVBSXAXWKFH-CYBMUJFWSA-N 0 0 328.206 1.601 10 0 EDAERN OC[C@H]1COCCN1Cc1cc2c(cc1Br)OCCO2 ZINC000168774304 226222413 /nfs/dbraw/zinc/22/24/13/226222413.db2.gz VVXNNFNQDVLQED-NSHDSACASA-N 0 0 344.205 1.413 10 0 EDAERN C[C@H]([C@@H](O)Cc1ccc(F)cc1Br)S(C)(=O)=O ZINC000168925545 226227528 /nfs/dbraw/zinc/22/75/28/226227528.db2.gz VPVRSEXRWKXESP-HQJQHLMTSA-N 0 0 325.199 1.925 10 0 EDAERN O=C(c1cnc(C(F)(F)F)nc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000127038108 287432316 /nfs/dbraw/zinc/43/23/16/287432316.db2.gz SBNHOZCXYJQTIT-LLVKDONJSA-N 0 0 341.293 1.233 10 0 EDAERN COC[C@@H](C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000171434325 227078095 /nfs/dbraw/zinc/07/80/95/227078095.db2.gz QFMVXLCBVIFDRR-LLVKDONJSA-N 0 0 346.474 1.300 10 0 EDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)CCS1 ZINC000171468759 227096788 /nfs/dbraw/zinc/09/67/88/227096788.db2.gz ZSGNPDAHPBZJFI-NSHDSACASA-N 0 0 348.403 1.914 10 0 EDAERN COCCS(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000183192462 292607610 /nfs/dbraw/zinc/60/76/10/292607610.db2.gz PHJLVNNKXCWSCJ-LBPRGKRZSA-N 0 0 328.438 1.118 10 0 EDAERN NC(=O)[C@@H]1COCCN1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121890430 221964825 /nfs/dbraw/zinc/96/48/25/221964825.db2.gz OSTJUZQTQIOPDV-NSHDSACASA-N 0 0 348.428 1.363 10 0 EDAERN CN(C(=O)CCc1cnn(C)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122519383 222104304 /nfs/dbraw/zinc/10/43/04/222104304.db2.gz GPAIOSXEPRZTON-OAHLLOKOSA-N 0 0 328.420 1.270 10 0 EDAERN Cc1nc(COC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 ZINC000122944369 222187191 /nfs/dbraw/zinc/18/71/91/222187191.db2.gz ZQQMWPQBBABCOU-WFASDCNBSA-N 0 0 333.319 1.780 10 0 EDAERN CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000123137258 222222743 /nfs/dbraw/zinc/22/27/43/222222743.db2.gz KQLQRGQUPBZOEG-LIRRHRJNSA-N 0 0 345.443 1.845 10 0 EDAERN Cc1cnn(CCNC(=O)c2cccc(OCC(F)(F)F)n2)c1 ZINC000123210619 222235659 /nfs/dbraw/zinc/23/56/59/222235659.db2.gz TVLROUITRFQUQF-UHFFFAOYSA-N 0 0 328.294 1.958 10 0 EDAERN COCCN1CCN(C(=O)NCc2nc(C3CC3)cs2)C[C@H]1C ZINC000123396871 222270205 /nfs/dbraw/zinc/27/02/05/222270205.db2.gz QYKVRFVCQLPRLR-GFCCVEGCSA-N 0 0 338.477 1.883 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)[C@H]1CCCO1 ZINC000124208601 222391568 /nfs/dbraw/zinc/39/15/68/222391568.db2.gz XYUXYUIJEJYUTQ-WCBMZHEXSA-N 0 0 331.294 1.723 10 0 EDAERN C[C@@H](Sc1nncn1C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124816623 222481980 /nfs/dbraw/zinc/48/19/80/222481980.db2.gz RKSSHBTVCCRGOO-LLVKDONJSA-N 0 0 334.449 1.435 10 0 EDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1(C)CCCCC1 ZINC000125019164 222509552 /nfs/dbraw/zinc/50/95/52/222509552.db2.gz USRWHUPZCODJBW-GFCCVEGCSA-N 0 0 349.456 1.953 10 0 EDAERN C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nnc2n1CCCC2 ZINC000133227444 287536075 /nfs/dbraw/zinc/53/60/75/287536075.db2.gz XAOLPLSIILASRP-LBPRGKRZSA-N 0 0 337.387 1.686 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 ZINC000151272438 287594773 /nfs/dbraw/zinc/59/47/73/287594773.db2.gz UUXJZVHEJLXRHL-UONOGXRCSA-N 0 0 336.436 1.796 10 0 EDAERN CCCn1nccc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000153483543 287627345 /nfs/dbraw/zinc/62/73/45/287627345.db2.gz BRELFNRCNRDYCY-UHFFFAOYSA-N 0 0 330.392 1.361 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3snnc3C(C)(C)C)CCO2)c1 ZINC000191955956 272983004 /nfs/dbraw/zinc/98/30/04/272983004.db2.gz DACRAGKXEBVVOK-LBPRGKRZSA-N 0 0 349.460 1.882 10 0 EDAERN CCCCOC[C@@H](O)CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000193375204 272991852 /nfs/dbraw/zinc/99/18/52/272991852.db2.gz FTEGKLNALRKSQF-KRWDZBQOSA-N 0 0 326.481 1.889 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCC(C)(C)CO ZINC000086406469 267422697 /nfs/dbraw/zinc/42/26/97/267422697.db2.gz GXGZEQZIUZAFOT-AWEZNQCLSA-N 0 0 327.469 1.828 10 0 EDAERN Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000185506597 267694150 /nfs/dbraw/zinc/69/41/50/267694150.db2.gz GFCLRWUZDDBGRR-IINYFYTJSA-N 0 0 330.363 1.842 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1cccnc1N(C)C ZINC000046591391 272912595 /nfs/dbraw/zinc/91/25/95/272912595.db2.gz IHGFNCKSRCFGFZ-ZDUSSCGKSA-N 0 0 341.415 1.974 10 0 EDAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC[C@@H]1CCCCO1)CC2 ZINC000181746728 272944494 /nfs/dbraw/zinc/94/44/94/272944494.db2.gz YNCGQXKIMQGDGW-KGLIPLIRSA-N 0 0 335.452 1.975 10 0 EDAERN O=C(NCC1CC(O)C1)c1ccc(F)cc1I ZINC000236476070 287704337 /nfs/dbraw/zinc/70/43/37/287704337.db2.gz YZCVRJNSSDRJOR-UHFFFAOYSA-N 0 0 349.143 1.931 10 0 EDAERN CCOCCN1CCN(C(=O)[C@H]2CCCCN2C(=O)CC)C[C@H]1C ZINC000117283462 276320400 /nfs/dbraw/zinc/32/04/00/276320400.db2.gz UTQHCGXCUMFSIT-HZPDHXFCSA-N 0 0 339.480 1.347 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C1 ZINC000190464376 277026272 /nfs/dbraw/zinc/02/62/72/277026272.db2.gz LRLVZTWYDBYMNP-HNNXBMFYSA-N 0 0 343.427 1.312 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000001502770 277081507 /nfs/dbraw/zinc/08/15/07/277081507.db2.gz CUMFVNMMEHHVTH-CVEARBPZSA-N 0 0 338.429 1.977 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000002513512 278202484 /nfs/dbraw/zinc/20/24/84/278202484.db2.gz CUMFVNMMEHHVTH-HOTGVXAUSA-N 0 0 338.429 1.977 10 0 EDAERN Cc1cc(C(=O)N2CCc3ccc(S(C)(=O)=O)cc3CC2)cnn1 ZINC000328722118 278640647 /nfs/dbraw/zinc/64/06/47/278640647.db2.gz XIVFWPIPUVULPU-UHFFFAOYSA-N 0 0 345.424 1.430 10 0 EDAERN CC(C)C1(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000177399743 278701209 /nfs/dbraw/zinc/70/12/09/278701209.db2.gz OLLUXBIYEYDSLF-ZBFHGGJFSA-N 0 0 332.448 1.882 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181206529 280025640 /nfs/dbraw/zinc/02/56/40/280025640.db2.gz AYSRVAKZTXRGTD-DOMZBBRYSA-N 0 0 339.461 1.467 10 0 EDAERN COCC[C@](C)(O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000174943501 292722154 /nfs/dbraw/zinc/72/21/54/292722154.db2.gz HIWSSFQQMDOYDP-SUMDDJOVSA-N 0 0 348.443 1.500 10 0 EDAERN Cn1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1=O ZINC000172180243 294372355 /nfs/dbraw/zinc/37/23/55/294372355.db2.gz FQNODYOQOORFQW-PBHICJAKSA-N 0 0 339.395 1.934 10 0 EDAERN Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000253552269 301141160 /nfs/dbraw/zinc/14/11/60/301141160.db2.gz SXPQRHFLANHYJY-ZYHUDNBSSA-N 0 0 345.403 1.203 10 0 EDAERN Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176996490 301317171 /nfs/dbraw/zinc/31/71/71/301317171.db2.gz NWVRKWKETDEJCD-DZGCQCFKSA-N 0 0 342.436 1.475 10 0 EDAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000118803739 301492114 /nfs/dbraw/zinc/49/21/14/301492114.db2.gz ISOXSONVRJQULL-OAHLLOKOSA-N 0 0 346.431 1.781 10 0 EDAERN O=C(CCN1C(=O)CCC1=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174862940 303580049 /nfs/dbraw/zinc/58/00/49/303580049.db2.gz UAQBBFLCYCGCSX-JKSUJKDBSA-N 0 0 344.411 1.640 10 0 EDAERN C[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)c2ccccc2C1=O ZINC000005400821 440954013 /nfs/dbraw/zinc/95/40/13/440954013.db2.gz JFPQNUOHKFLUKF-LBPRGKRZSA-N 0 0 326.356 1.074 10 0 EDAERN CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000045034084 440940191 /nfs/dbraw/zinc/94/01/91/440940191.db2.gz RIQYPCORHAECLZ-HNNXBMFYSA-N 0 0 346.475 1.773 10 0 EDAERN CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000006511878 440995882 /nfs/dbraw/zinc/99/58/82/440995882.db2.gz DTVXJINHUJSUDF-MDZDMXLPSA-N 0 0 334.372 1.765 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1OC ZINC000045815942 441043739 /nfs/dbraw/zinc/04/37/39/441043739.db2.gz RELSHCTYZUUEJC-CYBMUJFWSA-N 0 0 340.445 1.563 10 0 EDAERN Cc1noc(CO[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000097942543 441146643 /nfs/dbraw/zinc/14/66/43/441146643.db2.gz YBCOJCWVYDKCKI-ZDUSSCGKSA-N 0 0 345.355 1.928 10 0 EDAERN Cc1[nH]c2ccccc2c1CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104795736 441210700 /nfs/dbraw/zinc/21/07/00/441210700.db2.gz QMVSAUMIEGWPHC-AWEZNQCLSA-N 0 0 330.432 1.649 10 0 EDAERN COCCN(CCCc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104798411 441210712 /nfs/dbraw/zinc/21/07/12/441210712.db2.gz CKHSFGGXILDXCS-SFHVURJKSA-N 0 0 349.475 1.608 10 0 EDAERN COc1ccc(C(=O)CN2C(=O)CNC2=O)cc1Br ZINC000047821258 441229403 /nfs/dbraw/zinc/22/94/03/441229403.db2.gz KCJWRCQDEWKBLO-UHFFFAOYSA-N 0 0 327.134 1.192 10 0 EDAERN Cc1cc(C)n(-c2cccc(NC(=O)NC[C@@H]3CN(C)CCO3)c2)n1 ZINC000105281699 441248050 /nfs/dbraw/zinc/24/80/50/441248050.db2.gz LVKWXLPQSGRZOU-QGZVFWFLSA-N 0 0 343.431 1.941 10 0 EDAERN CCOCCCNC(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805348 441274732 /nfs/dbraw/zinc/27/47/32/441274732.db2.gz HEXIVEXEPOREFB-AWEZNQCLSA-N 0 0 335.452 1.284 10 0 EDAERN Cc1ncc(CN2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)s1 ZINC000105814060 441276623 /nfs/dbraw/zinc/27/66/23/441276623.db2.gz IJLJVLDMMJKCAB-LBPRGKRZSA-N 0 0 346.460 1.386 10 0 EDAERN CCCS(=O)(=O)CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820598 441278602 /nfs/dbraw/zinc/27/86/02/441278602.db2.gz HFVRVXRVELYURO-KRWDZBQOSA-N 0 0 340.489 1.162 10 0 EDAERN COCCN1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C[C@H]1C ZINC000105833048 441285685 /nfs/dbraw/zinc/28/56/85/441285685.db2.gz CYFOSXCCBXFCPS-CABCVRRESA-N 0 0 337.439 1.483 10 0 EDAERN CCOCCN1CCN(CC(=O)N2CCCC[C@H]2CC)C[C@H]1C ZINC000105834975 441286804 /nfs/dbraw/zinc/28/68/04/441286804.db2.gz ORVGKNHFQBNMHU-IAGOWNOFSA-N 0 0 325.497 1.820 10 0 EDAERN COCCN1CCN(CC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000106109771 441326586 /nfs/dbraw/zinc/32/65/86/441326586.db2.gz OJUPIJSQKMUBNR-AWEZNQCLSA-N 0 0 333.432 1.480 10 0 EDAERN CCCCCNC(=O)[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000106152425 441327710 /nfs/dbraw/zinc/32/77/10/441327710.db2.gz DODWCMUPEHCRNH-OAHLLOKOSA-N 0 0 349.479 1.692 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1 ZINC000106396994 441338027 /nfs/dbraw/zinc/33/80/27/441338027.db2.gz VBHBYUIMWMTGRS-CYBMUJFWSA-N 0 0 346.456 1.734 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000105865995 441296616 /nfs/dbraw/zinc/29/66/16/441296616.db2.gz JXJQGXPANZZIJB-UHFFFAOYSA-N 0 0 343.479 1.590 10 0 EDAERN COc1cccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c1O ZINC000105868231 441299044 /nfs/dbraw/zinc/29/90/44/441299044.db2.gz UWROKTCBEDFVSN-UHFFFAOYSA-N 0 0 342.399 1.932 10 0 EDAERN COC(=O)c1coc(CN2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000105870077 441299855 /nfs/dbraw/zinc/29/98/55/441299855.db2.gz NSCIYJBKCINQLA-UHFFFAOYSA-N 0 0 332.404 1.508 10 0 EDAERN CCc1nn(C)c(Cl)c1CN1CCN(CCn2cccn2)CC1 ZINC000105870418 441300210 /nfs/dbraw/zinc/30/02/10/441300210.db2.gz YZRRSKBEULVUDN-UHFFFAOYSA-N 0 0 336.871 1.650 10 0 EDAERN Cc1nc(CN2CCN(C[C@H](O)COC(C)(C)C)CC2)oc1C ZINC000105894288 441311133 /nfs/dbraw/zinc/31/11/33/441311133.db2.gz FYTVLIDWBIPDDY-HNNXBMFYSA-N 0 0 325.453 1.585 10 0 EDAERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)cc(C)c1OC(F)F ZINC000107577910 441419644 /nfs/dbraw/zinc/41/96/44/441419644.db2.gz COJINSLEJNGDBQ-CYBMUJFWSA-N 0 0 328.359 1.965 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCc1cccnc1-n1cccn1)C(C)C ZINC000108257768 441439654 /nfs/dbraw/zinc/43/96/54/441439654.db2.gz VEVXMBRHLRMMDL-CYBMUJFWSA-N 0 0 331.376 1.264 10 0 EDAERN COC(=O)N[C@@H](C(=O)NCc1cccnc1-n1ccnc1)C(C)C ZINC000108257004 441439749 /nfs/dbraw/zinc/43/97/49/441439749.db2.gz JJSRIEGRQNUSNO-CYBMUJFWSA-N 0 0 331.376 1.264 10 0 EDAERN COC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC000109213482 441491908 /nfs/dbraw/zinc/49/19/08/441491908.db2.gz VIBZKKNEMVVDRQ-MFKMUULPSA-N 0 0 326.393 1.948 10 0 EDAERN C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000087896372 441495065 /nfs/dbraw/zinc/49/50/65/441495065.db2.gz KMXGBPMUXYRREA-KCJUWKMLSA-N 0 0 332.809 1.285 10 0 EDAERN O=C(c1ccc(F)cc1)N1[C@H](C(=O)N2CC(O)C2)C[C@@H]2CCCC[C@@H]21 ZINC000108459531 441454743 /nfs/dbraw/zinc/45/47/43/441454743.db2.gz CBTGQOBWGLNVPI-JQFCIGGWSA-N 0 0 346.402 1.802 10 0 EDAERN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCn2ccnc2C1 ZINC000074785164 441467043 /nfs/dbraw/zinc/46/70/43/441467043.db2.gz RMJBMQYQTAOMOP-UHFFFAOYSA-N 0 0 338.367 1.302 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000075509540 441529351 /nfs/dbraw/zinc/52/93/51/441529351.db2.gz RNWIMSMIPAETJM-GXFFZTMASA-N 0 0 328.347 1.684 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000089274218 441534320 /nfs/dbraw/zinc/53/43/20/441534320.db2.gz HLCXJGPIWICKMR-ZDUSSCGKSA-N 0 0 342.461 1.520 10 0 EDAERN CCS(=O)(=O)CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000089373401 441543271 /nfs/dbraw/zinc/54/32/71/441543271.db2.gz XDKARQDBNOXTKU-RYUDHWBXSA-N 0 0 331.384 1.961 10 0 EDAERN CN(C)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cn1 ZINC000032335806 441552741 /nfs/dbraw/zinc/55/27/41/441552741.db2.gz YFSWCYDKORYOOF-CQSZACIVSA-N 0 0 345.424 1.796 10 0 EDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2ccsc2)no1 ZINC000054452201 441577987 /nfs/dbraw/zinc/57/79/87/441577987.db2.gz BULIWEKDYXAMEN-GFCCVEGCSA-N 0 0 348.428 1.810 10 0 EDAERN CNC(=O)c1cccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000113932664 441628549 /nfs/dbraw/zinc/62/85/49/441628549.db2.gz BAJIQFKGUYQFSQ-GOSISDBHSA-N 0 0 342.443 1.761 10 0 EDAERN CC(C)c1nnc(CN(C)C[C@H](O)COCc2ccccc2)n1C ZINC000114462551 441658233 /nfs/dbraw/zinc/65/82/33/441658233.db2.gz NNFPFMXVPYOAHR-INIZCTEOSA-N 0 0 332.448 1.948 10 0 EDAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)Cc1ccsc1 ZINC000037490400 441613204 /nfs/dbraw/zinc/61/32/04/441613204.db2.gz HCKQKMDZAJDNRJ-UHFFFAOYSA-N 0 0 329.403 1.469 10 0 EDAERN Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)nc1 ZINC000115205226 441717652 /nfs/dbraw/zinc/71/76/52/441717652.db2.gz QTNOQLCWGRWKMZ-BBRMVZONSA-N 0 0 327.388 1.672 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCO1 ZINC000041917571 441684035 /nfs/dbraw/zinc/68/40/35/441684035.db2.gz WKKYNLNJPJXUJU-DOMZBBRYSA-N 0 0 328.372 1.495 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](COC)c1ccccc1)CC2 ZINC000114954991 441703756 /nfs/dbraw/zinc/70/37/56/441703756.db2.gz VFKZFXRZFLPDES-LSDHHAIUSA-N 0 0 343.431 1.842 10 0 EDAERN CCS(=O)(=O)C[C@@H](C)N(C)C[C@@H](O)COCc1ccccc1 ZINC000114563106 441667789 /nfs/dbraw/zinc/66/77/89/441667789.db2.gz UGGMFHZUUQCIHJ-GDBMZVCRSA-N 0 0 329.462 1.319 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCCCN2C(=O)CNC2=O)o1 ZINC000173494211 441769140 /nfs/dbraw/zinc/76/91/40/441769140.db2.gz YWPDEWLMMXBAOL-ZDUSSCGKSA-N 0 0 348.403 1.767 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccncc2)ncn1 ZINC000173426424 441745854 /nfs/dbraw/zinc/74/58/54/441745854.db2.gz TUIONQZJBJKXRA-OAHLLOKOSA-N 0 0 340.431 1.631 10 0 EDAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccc(F)cc2C1 ZINC000121634004 441748975 /nfs/dbraw/zinc/74/89/75/441748975.db2.gz NNONFCCSWWGGRM-KRWDZBQOSA-N 0 0 341.386 1.990 10 0 EDAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3cccc(F)c3)CCO2)[nH]1 ZINC000173353451 441721718 /nfs/dbraw/zinc/72/17/18/441721718.db2.gz WNVYMKDVKMZSGN-IINYFYTJSA-N 0 0 333.367 1.653 10 0 EDAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3C)CCO2)[nH]1 ZINC000173353049 441721815 /nfs/dbraw/zinc/72/18/15/441721815.db2.gz UVWQELOVPOKFDU-WFASDCNBSA-N 0 0 329.404 1.822 10 0 EDAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000077139091 441722740 /nfs/dbraw/zinc/72/27/40/441722740.db2.gz RDGJYYNJODMLER-TUAOUCFPSA-N 0 0 344.408 1.128 10 0 EDAERN CNC(=O)CN1CCN(C(=O)[C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000121536044 441726611 /nfs/dbraw/zinc/72/66/11/441726611.db2.gz NZXDHIYPNIBFOK-MRXNPFEDSA-N 0 0 345.487 1.879 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc3c1oc(=O)n3C)CC2 ZINC000121533610 441727487 /nfs/dbraw/zinc/72/74/87/441727487.db2.gz AZPBMCWIWDDZJD-JTQLQIEISA-N 0 0 341.371 1.030 10 0 EDAERN CN(CC1CCCC1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000115350199 441729675 /nfs/dbraw/zinc/72/96/75/441729675.db2.gz KOBLEIPWNOXNNX-RDJZCZTQSA-N 0 0 332.448 1.978 10 0 EDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116369625 441815841 /nfs/dbraw/zinc/81/58/41/441815841.db2.gz XMDRNRPQJCDCIX-SNVBAGLBSA-N 0 0 343.840 1.294 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(-c4ncon4)cc3)CCO2)[nH]1 ZINC000173519605 441776510 /nfs/dbraw/zinc/77/65/10/441776510.db2.gz YNUUBTGJWLNKNN-CYBMUJFWSA-N 0 0 340.343 1.377 10 0 EDAERN CC(C)c1nnc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)s1 ZINC000137687771 441777306 /nfs/dbraw/zinc/77/73/06/441777306.db2.gz OQEATYSLKRLOHQ-LBPRGKRZSA-N 0 0 339.465 1.007 10 0 EDAERN COc1ccc(CCC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173553090 441789062 /nfs/dbraw/zinc/78/90/62/441789062.db2.gz SAAGDDIKFRXABM-HNNXBMFYSA-N 0 0 330.388 1.654 10 0 EDAERN O=C(NCCCOC[C@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 ZINC000173556313 441790174 /nfs/dbraw/zinc/79/01/74/441790174.db2.gz BIUICCUBWFOGDP-LSDHHAIUSA-N 0 0 337.424 1.210 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)c3cnc(-c4ncccn4)s3)C2)cn1 ZINC000116122150 441795108 /nfs/dbraw/zinc/79/51/08/441795108.db2.gz JOYHXXYVALGRTB-LLVKDONJSA-N 0 0 340.412 1.963 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)c3cc(C)n(C(C)(C)C)n3)CCO2)[nH]1 ZINC000173572686 441795475 /nfs/dbraw/zinc/79/54/75/441795475.db2.gz TUYAMEFHDTUNMA-CYBMUJFWSA-N 0 0 346.435 1.841 10 0 EDAERN O=C(NCCCc1ccc(Br)cc1F)[C@@H]1CNC(=O)C1 ZINC000116149834 441797912 /nfs/dbraw/zinc/79/79/12/441797912.db2.gz PXSGHOFFPBQBPQ-JTQLQIEISA-N 0 0 343.196 1.773 10 0 EDAERN COC(=O)CCCc1nc(CN2CC[C@@H](c3cnn(C)c3)C2)no1 ZINC000116309628 441809085 /nfs/dbraw/zinc/80/90/85/441809085.db2.gz CQTAYLAYCFBEQZ-GFCCVEGCSA-N 0 0 333.392 1.288 10 0 EDAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCNc1ccccn1 ZINC000173954119 441868737 /nfs/dbraw/zinc/86/87/37/441868737.db2.gz UTJKVKNDVKGSMI-HNNXBMFYSA-N 0 0 347.463 1.926 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)NCCCOC[C@H]3CCCO3)C2)cn1 ZINC000116524571 441827920 /nfs/dbraw/zinc/82/79/20/441827920.db2.gz SKNHNGUSZDTXCN-GOEBONIOSA-N 0 0 336.436 1.505 10 0 EDAERN Cc1nccn1-c1cncc(N2CCC(N3CCCC3=O)CC2)n1 ZINC000092895522 441838282 /nfs/dbraw/zinc/83/82/82/441838282.db2.gz LKULSJKMBHIHEE-UHFFFAOYSA-N 0 0 326.404 1.562 10 0 EDAERN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)N1CC(=O)Nc2ccccc21 ZINC000140490773 441840198 /nfs/dbraw/zinc/84/01/98/441840198.db2.gz YCVRRCFVMMBIMQ-AUUYWEPGSA-N 0 0 343.427 1.599 10 0 EDAERN COCCn1cc(C(=O)NC[C@@H](C)N2CCOCC2)c2ccccc21 ZINC000140577470 441840544 /nfs/dbraw/zinc/84/05/44/441840544.db2.gz IXPXGSFMMKSSSU-OAHLLOKOSA-N 0 0 345.443 1.738 10 0 EDAERN C[C@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)N(C)c1ccccc1 ZINC000173799344 441841563 /nfs/dbraw/zinc/84/15/63/441841563.db2.gz LYOCSJUBENDFGO-SJLPKXTDSA-N 0 0 346.475 1.627 10 0 EDAERN C[C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000173882578 441856349 /nfs/dbraw/zinc/85/63/49/441856349.db2.gz AQELNZMNKXZPFF-SJLPKXTDSA-N 0 0 332.444 1.772 10 0 EDAERN CC(C)n1ccnc1CNc1ccccc1C(=O)NCCC(N)=O ZINC000124433063 441926217 /nfs/dbraw/zinc/92/62/17/441926217.db2.gz ZUNUGRFGHIIRTN-UHFFFAOYSA-N 0 0 329.404 1.681 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000150712412 441933853 /nfs/dbraw/zinc/93/38/53/441933853.db2.gz AAPSDFGJNTULIU-KBPBESRZSA-N 0 0 336.436 1.418 10 0 EDAERN O=C(c1cnc(NC[C@@H]2CCC[C@@H]2O)c(Cl)c1)N1CCOCC1 ZINC000078498573 441937458 /nfs/dbraw/zinc/93/74/58/441937458.db2.gz YVSOTVPIFHOVFT-FZMZJTMJSA-N 0 0 339.823 1.780 10 0 EDAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1nc(C(C)(C)C)no1 ZINC000174750716 441964262 /nfs/dbraw/zinc/96/42/62/441964262.db2.gz YUOYXFQXBFVNDP-GHMZBOCLSA-N 0 0 325.413 1.058 10 0 EDAERN Cc1ccc(O[C@@H](C)CNC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000175008140 441993965 /nfs/dbraw/zinc/99/39/65/441993965.db2.gz HLQVYZAIRSYVMI-CVEARBPZSA-N 0 0 335.448 1.782 10 0 EDAERN O=C(COc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCCC[C@H]1CO ZINC000151067935 442001005 /nfs/dbraw/zinc/00/10/05/442001005.db2.gz YBWHFMLBTFPGGD-WMLDXEAASA-N 0 0 346.427 1.860 10 0 EDAERN COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000175122294 442006787 /nfs/dbraw/zinc/00/67/87/442006787.db2.gz GGGOEJKTULHKLW-CHWSQXEVSA-N 0 0 345.403 1.368 10 0 EDAERN CCNC(=O)NC1(C(=O)N2CC[C@H](Oc3cccnc3)C2)CCCC1 ZINC000161513039 442007393 /nfs/dbraw/zinc/00/73/93/442007393.db2.gz RRNNJFJIVLFLEB-HNNXBMFYSA-N 0 0 346.431 1.693 10 0 EDAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1COc2ccccc21 ZINC000161597221 442014954 /nfs/dbraw/zinc/01/49/54/442014954.db2.gz AZIUCGBHBYYFTH-JTQLQIEISA-N 0 0 338.410 1.567 10 0 EDAERN CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000151176428 442018656 /nfs/dbraw/zinc/01/86/56/442018656.db2.gz JKAXTSNJUWHZBA-OLZOCXBDSA-N 0 0 333.436 1.583 10 0 EDAERN Cc1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c(=O)[nH]n(C)c2n1 ZINC000120210388 442029214 /nfs/dbraw/zinc/02/92/14/442029214.db2.gz XHVVDUDJFTZJSN-KZULUSFZSA-N 0 0 344.415 1.337 10 0 EDAERN CNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCCCC2)CCOCC1 ZINC000096113118 442037894 /nfs/dbraw/zinc/03/78/94/442037894.db2.gz YFFBJEGVMNMRLY-HNNXBMFYSA-N 0 0 337.464 1.195 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(O)cc1 ZINC000175307971 442038319 /nfs/dbraw/zinc/03/83/19/442038319.db2.gz UCUYAMUYSOSURV-OAHLLOKOSA-N 0 0 340.445 1.555 10 0 EDAERN C[C@H]1CN(Cc2noc(-c3ccsc3)n2)C[C@@H]1N1CCOCC1 ZINC000175588509 442089568 /nfs/dbraw/zinc/08/95/68/442089568.db2.gz LBVXCQQGLMQTEH-JSGCOSHPSA-N 0 0 334.445 1.951 10 0 EDAERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000126225915 442090551 /nfs/dbraw/zinc/09/05/51/442090551.db2.gz MRZJAUBCPZRMGX-FUHWJXTLSA-N 0 0 349.475 1.690 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCc1nccc(N)n1)C(C)C ZINC000120567563 442096218 /nfs/dbraw/zinc/09/62/18/442096218.db2.gz WTTNUGMJLMTZTL-INIZCTEOSA-N 0 0 341.415 1.438 10 0 EDAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2nnc3n2CCCC3)C1 ZINC000162427744 442092787 /nfs/dbraw/zinc/09/27/87/442092787.db2.gz JCIRUWAZRDLZAN-NSHDSACASA-N 0 0 335.408 1.810 10 0 EDAERN CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000175340707 442044832 /nfs/dbraw/zinc/04/48/32/442044832.db2.gz KPQSVFNBGRGZNO-CYBMUJFWSA-N 0 0 344.433 1.288 10 0 EDAERN CC(C)[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)c1cccnc1 ZINC000175345886 442046035 /nfs/dbraw/zinc/04/60/35/442046035.db2.gz URXRJBNHBXPGGX-RDJZCZTQSA-N 0 0 334.464 1.841 10 0 EDAERN COCc1cccc(CNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000175369695 442050967 /nfs/dbraw/zinc/05/09/67/442050967.db2.gz KATSBDLXQWPOFZ-HNNXBMFYSA-N 0 0 345.403 1.543 10 0 EDAERN O=C(NC1CC1)C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000162000648 442054366 /nfs/dbraw/zinc/05/43/66/442054366.db2.gz FCJRWVMKXNJCPZ-QWHCGFSZSA-N 0 0 342.317 1.618 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccccc3O)C2=O)n(C)n1 ZINC000175421225 442059979 /nfs/dbraw/zinc/05/99/79/442059979.db2.gz MBKBXYZJUCRXBZ-ZDUSSCGKSA-N 0 0 328.372 1.360 10 0 EDAERN Cc1cc(F)cc2c(O)c(C(=O)N[C@@H]3CCc4ncnn4C3)cnc12 ZINC000151444572 442063670 /nfs/dbraw/zinc/06/36/70/442063670.db2.gz RLPPLLAWNMSNQA-LLVKDONJSA-N 0 0 341.346 1.312 10 0 EDAERN COC(=O)CCCc1nnc(NCc2c(C)nn(C)c2OC)s1 ZINC000126068546 442075840 /nfs/dbraw/zinc/07/58/40/442075840.db2.gz HXHBIHLUCDZRDY-UHFFFAOYSA-N 0 0 339.421 1.696 10 0 EDAERN C[C@@H]1CC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c2ccccc21 ZINC000162314242 442082191 /nfs/dbraw/zinc/08/21/91/442082191.db2.gz VGUDJMNEWQYNKJ-BXUZGUMPSA-N 0 0 331.459 1.589 10 0 EDAERN C[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@@H]1N1CCOCC1 ZINC000175628062 442095839 /nfs/dbraw/zinc/09/58/39/442095839.db2.gz OCIJUGRHSGZCMO-PBHICJAKSA-N 0 0 335.423 1.730 10 0 EDAERN CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000151894319 442136376 /nfs/dbraw/zinc/13/63/76/442136376.db2.gz JXUBENIBBCDSGM-VXGBXAGGSA-N 0 0 332.429 1.899 10 0 EDAERN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000163137522 442146188 /nfs/dbraw/zinc/14/61/88/442146188.db2.gz PEEQSOWNTCUPIX-RHSMWYFYSA-N 0 0 341.411 1.724 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC(C)(C)C(=O)NCC1CCCC1 ZINC000126832467 442146887 /nfs/dbraw/zinc/14/68/87/442146887.db2.gz VYDHIJSCRDCUCM-GFCCVEGCSA-N 0 0 349.431 1.599 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccnn2)ncn1 ZINC000151969477 442148083 /nfs/dbraw/zinc/14/80/83/442148083.db2.gz VFAIBGXLVRZDMD-NSHDSACASA-N 0 0 328.380 1.099 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCNC(=O)C(C)(C)C ZINC000176065315 442169694 /nfs/dbraw/zinc/16/96/94/442169694.db2.gz WPPVIIQYQOQFSQ-CQSZACIVSA-N 0 0 335.452 1.528 10 0 EDAERN CC(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176101189 442176546 /nfs/dbraw/zinc/17/65/46/442176546.db2.gz NNEPTLOFWAIVKX-CQSZACIVSA-N 0 0 327.388 1.991 10 0 EDAERN CN1C(=O)c2ccc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2C1=O ZINC000121108394 442177651 /nfs/dbraw/zinc/17/76/51/442177651.db2.gz ZLQNRTMUOULXGP-ORAYPTAESA-N 0 0 342.395 1.680 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)COc3cc(C)ccc3F)CCO2)[nH]1 ZINC000164064748 442189894 /nfs/dbraw/zinc/18/98/94/442189894.db2.gz IOGIBPZNQPWWLP-AWEZNQCLSA-N 0 0 334.351 1.540 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CC[C@@H]2CCOC2)ncn1 ZINC000176198069 442189931 /nfs/dbraw/zinc/18/99/31/442189931.db2.gz JSZZDYCTZMRSAV-ZIAGYGMSSA-N 0 0 333.436 1.420 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](C)C3CCOCC3)CCO2)[nH]1 ZINC000121213259 442192138 /nfs/dbraw/zinc/19/21/38/442192138.db2.gz YYZOECUVLUDYSF-YPMHNXCESA-N 0 0 337.424 1.265 10 0 EDAERN Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121214063 442192333 /nfs/dbraw/zinc/19/23/33/442192333.db2.gz CEIRVGRDDWQWBS-SECBINFHSA-N 0 0 342.193 1.074 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)NC[C@H]3CCCS3)CC2)no1 ZINC000127309518 442192372 /nfs/dbraw/zinc/19/23/72/442192372.db2.gz AVHRMOQENKFRSD-CYBMUJFWSA-N 0 0 339.465 1.491 10 0 EDAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(CCO)Cc1cccnc1 ZINC000152290744 442193621 /nfs/dbraw/zinc/19/36/21/442193621.db2.gz ZBZFSKUYLYRPKK-AWEZNQCLSA-N 0 0 342.399 1.613 10 0 EDAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1cnn(-c2ccccc2)c1 ZINC000121259457 442196673 /nfs/dbraw/zinc/19/66/73/442196673.db2.gz XRSZREPZGKGOAK-CZUORRHYSA-N 0 0 335.429 1.702 10 0 EDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000121266751 442197958 /nfs/dbraw/zinc/19/79/58/442197958.db2.gz QKFLSLXPFVFXFH-SECBINFHSA-N 0 0 343.305 1.170 10 0 EDAERN COc1ccccc1OCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126889055 442151301 /nfs/dbraw/zinc/15/13/01/442151301.db2.gz NJEABJVCCLUBPI-AWEZNQCLSA-N 0 0 330.388 1.604 10 0 EDAERN CCOc1cccnc1C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000176367622 442215281 /nfs/dbraw/zinc/21/52/81/442215281.db2.gz DFCDDVOQUKJJKN-CQSZACIVSA-N 0 0 330.388 1.526 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000127632659 442216838 /nfs/dbraw/zinc/21/68/38/442216838.db2.gz NBYHDTMSMOGELA-OAHLLOKOSA-N 0 0 339.399 1.744 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)CC2 ZINC000152495928 442219822 /nfs/dbraw/zinc/21/98/22/442219822.db2.gz NXDOFPHMTIWQHI-CYBMUJFWSA-N 0 0 337.387 1.370 10 0 EDAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NCc1ccc(F)cc1 ZINC000152584317 442228356 /nfs/dbraw/zinc/22/83/56/442228356.db2.gz CDRIBKNQUSQGKL-QGZVFWFLSA-N 0 0 329.375 1.990 10 0 EDAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000170265091 442229554 /nfs/dbraw/zinc/22/95/54/442229554.db2.gz WZOGTISNJVKZLY-ZDUSSCGKSA-N 0 0 334.401 1.204 10 0 EDAERN C[NH+](C)C[C@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CCO1 ZINC000127956255 442236125 /nfs/dbraw/zinc/23/61/25/442236125.db2.gz NFLXWGMOFRTRSJ-NSHDSACASA-N 0 0 329.347 1.128 10 0 EDAERN COc1cccc2c(NC[C@@H](O)CN3CCOCC3)cc(C)nc12 ZINC000153023478 442256192 /nfs/dbraw/zinc/25/61/92/442256192.db2.gz QRQHCFAZLDZRRV-CQSZACIVSA-N 0 0 331.416 1.657 10 0 EDAERN CC[C@H](CCO)CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000176877475 442266131 /nfs/dbraw/zinc/26/61/31/442266131.db2.gz FPDCZLJQSWCZJU-TZMCWYRMSA-N 0 0 340.445 1.613 10 0 EDAERN CCOCCCNC(=O)[C@@H](C)[S@](=O)Cc1nccn1C(C)C ZINC000176878260 442266135 /nfs/dbraw/zinc/26/61/35/442266135.db2.gz LENQUESRIHSBNC-MCMMXHMISA-N 0 0 329.466 1.644 10 0 EDAERN CS(=O)(=O)CCOCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000153196441 442266757 /nfs/dbraw/zinc/26/67/57/442266757.db2.gz ZQYJUZBVEOEJJN-NEPJUHHUSA-N 0 0 347.383 1.246 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1sc(C)nc1C)CC2 ZINC000176924214 442274304 /nfs/dbraw/zinc/27/43/04/442274304.db2.gz UUKNGXPSAYZSDZ-JTQLQIEISA-N 0 0 341.462 1.207 10 0 EDAERN O=C(C[C@@H]1CSCCS1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000153350634 442276791 /nfs/dbraw/zinc/27/67/91/442276791.db2.gz ACSWEFLRJOJZIE-CHWSQXEVSA-N 0 0 326.491 1.755 10 0 EDAERN COc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)cc1F ZINC000177006786 442283964 /nfs/dbraw/zinc/28/39/64/442283964.db2.gz ZINGMGBGYNEWPU-GFCCVEGCSA-N 0 0 340.380 1.548 10 0 EDAERN CN1CCO[C@H](CNC(=O)NCCCn2cnc3ccccc32)C1 ZINC000170920040 442288869 /nfs/dbraw/zinc/28/88/69/442288869.db2.gz SPACAVFRCKYJTN-CQSZACIVSA-N 0 0 331.420 1.056 10 0 EDAERN COc1ccc(CCNC(=O)NC[C@H]2CN(C)CCO2)cc1F ZINC000170923854 442289284 /nfs/dbraw/zinc/28/92/84/442289284.db2.gz IHUZYXBSNDZKKE-ZDUSSCGKSA-N 0 0 325.384 1.007 10 0 EDAERN CC(C)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1nc(-c2cccnc2)no1 ZINC000171064519 442305660 /nfs/dbraw/zinc/30/56/60/442305660.db2.gz JZSDJYGTYMDLSJ-DGCLKSJQSA-N 0 0 329.360 1.081 10 0 EDAERN Cc1[nH]c2ccc(C(=O)NC[C@H](O)CN3CCOCC3)cc2c1C ZINC000129089613 442300732 /nfs/dbraw/zinc/30/07/32/442300732.db2.gz BILLHFPFSLVPOX-HNNXBMFYSA-N 0 0 331.416 1.208 10 0 EDAERN CC(C)C(=O)NCCN(C)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000128329574 442260282 /nfs/dbraw/zinc/26/02/82/442260282.db2.gz OUGANKGTPDBGKF-ZDUSSCGKSA-N 0 0 334.420 1.427 10 0 EDAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CSCCS3)CCO2)n1 ZINC000177279050 442323813 /nfs/dbraw/zinc/32/38/13/442323813.db2.gz XSUIFCOASYBANK-KBPBESRZSA-N 0 0 341.502 1.576 10 0 EDAERN O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177359707 442331888 /nfs/dbraw/zinc/33/18/88/442331888.db2.gz IZUVQADAIVMDCE-JBEBIEQOSA-N 0 0 347.444 1.361 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1ccc2scnc2c1)N1CCOCC1 ZINC000171267954 442336431 /nfs/dbraw/zinc/33/64/31/442336431.db2.gz GDZRXLWNHRXQSH-LLVKDONJSA-N 0 0 348.428 1.072 10 0 EDAERN CCc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccnn3C)C2)n1 ZINC000154500681 442342833 /nfs/dbraw/zinc/34/28/33/442342833.db2.gz RSTIAHRGEUQEIU-LLVKDONJSA-N 0 0 347.444 1.784 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ncccc1OCC(F)(F)F ZINC000177476901 442346897 /nfs/dbraw/zinc/34/68/97/442346897.db2.gz XUKDWXCULCPCOU-SECBINFHSA-N 0 0 341.293 1.359 10 0 EDAERN Cc1nc(C[C@H]2CCCN(C(=O)CNC(=O)CCC(C)C)C2)no1 ZINC000171485654 442352261 /nfs/dbraw/zinc/35/22/61/442352261.db2.gz PKSOIAFLSIHXAK-CQSZACIVSA-N 0 0 336.436 1.712 10 0 EDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000177215789 442314715 /nfs/dbraw/zinc/31/47/15/442314715.db2.gz DFJMHHQIJCNRFM-MRXNPFEDSA-N 0 0 337.387 1.472 10 0 EDAERN C[C@@H](c1nc(-c2cccnc2)no1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177230502 442316627 /nfs/dbraw/zinc/31/66/27/442316627.db2.gz HEUKCOFOWYTTCB-YCPHGPKFSA-N 0 0 343.431 1.845 10 0 EDAERN CC(=O)c1ccccc1NC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177236487 442317926 /nfs/dbraw/zinc/31/79/26/442317926.db2.gz RPDJQEJFVVMBLH-KDOFPFPSSA-N 0 0 345.443 1.480 10 0 EDAERN CCc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000177654353 442367277 /nfs/dbraw/zinc/36/72/77/442367277.db2.gz NFHXQRONKDGGDE-INIZCTEOSA-N 0 0 342.399 1.312 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cnccc3C)C2)c1 ZINC000177670410 442368849 /nfs/dbraw/zinc/36/88/49/442368849.db2.gz BJQFIODIBDDSTI-AWEZNQCLSA-N 0 0 327.388 1.697 10 0 EDAERN CCNC(=O)c1cccc(NC(=O)CN(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000177711349 442373740 /nfs/dbraw/zinc/37/37/40/442373740.db2.gz GWFKBWMIRAEOKV-KRWDZBQOSA-N 0 0 346.475 1.791 10 0 EDAERN CCOc1ncccc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171816902 442383105 /nfs/dbraw/zinc/38/31/05/442383105.db2.gz JZNKRKKSWWBERG-CYBMUJFWSA-N 0 0 331.376 1.610 10 0 EDAERN COCCC1(CNC(=O)NC[C@@H](C)N2CCOCC2)CCCC1 ZINC000155416090 442396708 /nfs/dbraw/zinc/39/67/08/442396708.db2.gz PUEWYHOMKXQWNU-OAHLLOKOSA-N 0 0 327.469 1.603 10 0 EDAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1-n1cnnn1 ZINC000155449856 442399281 /nfs/dbraw/zinc/39/92/81/442399281.db2.gz BWQOHAJQFQGHJK-HZMBPMFUSA-N 0 0 335.795 1.597 10 0 EDAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCn2ncnc21 ZINC000177614951 442363313 /nfs/dbraw/zinc/36/33/13/442363313.db2.gz DOIMHWDJTIXHPO-ZDUSSCGKSA-N 0 0 348.428 1.725 10 0 EDAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC(Cn2cccn2)CC1 ZINC000177613743 442363337 /nfs/dbraw/zinc/36/33/37/442363337.db2.gz XKDSLTRNLLZUFD-AWEZNQCLSA-N 0 0 331.420 1.068 10 0 EDAERN CC[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)CCN1CCOC ZINC000133380280 442415024 /nfs/dbraw/zinc/41/50/24/442415024.db2.gz KPRGXGRBIUWCNE-AEFFLSMTSA-N 0 0 332.444 1.870 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)CC1CCCC1)CC2 ZINC000178345943 442426033 /nfs/dbraw/zinc/42/60/33/442426033.db2.gz BYFSRHUASUXABO-ZDUSSCGKSA-N 0 0 326.466 1.826 10 0 EDAERN CNC(=O)[C@H](NC(=O)NCc1ccccc1Cn1cccn1)C(C)C ZINC000178395721 442430204 /nfs/dbraw/zinc/43/02/04/442430204.db2.gz AEIWKQMJKZOVLJ-MRXNPFEDSA-N 0 0 343.431 1.501 10 0 EDAERN OCCO[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000172301623 442439191 /nfs/dbraw/zinc/43/91/91/442439191.db2.gz YUHZSTNCZZMJJS-SJORKVTESA-N 0 0 343.851 1.691 10 0 EDAERN CCC(CC)NC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000172321288 442444100 /nfs/dbraw/zinc/44/41/00/442444100.db2.gz NZVGYUGXMATOPY-QGZVFWFLSA-N 0 0 349.475 1.942 10 0 EDAERN CC[C@@H](C)NC(=O)CCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000178571332 442444461 /nfs/dbraw/zinc/44/44/61/442444461.db2.gz IUKZNIREFZFHRI-VXGBXAGGSA-N 0 0 336.440 1.279 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cccc3c1OCCO3)CC2 ZINC000134012948 442446507 /nfs/dbraw/zinc/44/65/07/442446507.db2.gz TULUXIOTXRUWIE-LBPRGKRZSA-N 0 0 342.399 1.918 10 0 EDAERN CC(C)c1nc2c(n1C)CCN(C(=O)CNC(=O)c1ccccn1)C2 ZINC000172548456 442486797 /nfs/dbraw/zinc/48/67/97/442486797.db2.gz AELOPAIRGFAWKP-UHFFFAOYSA-N 0 0 341.415 1.253 10 0 EDAERN C[C@@H](C(=O)NCC1CCCCC1)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191740422 442503265 /nfs/dbraw/zinc/50/32/65/442503265.db2.gz ZAGJLHFSIGCWKM-AWEZNQCLSA-N 0 0 339.480 1.552 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 ZINC000186317541 442510627 /nfs/dbraw/zinc/51/06/27/442510627.db2.gz KICRYOLVUIETCH-UHFFFAOYSA-N 0 0 341.411 1.634 10 0 EDAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)Cc1nc[nH]n1)C(C)C ZINC000172616323 442505641 /nfs/dbraw/zinc/50/56/41/442505641.db2.gz PMZYGSVPOZJERA-OAHLLOKOSA-N 0 0 329.404 1.526 10 0 EDAERN O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172757675 442536233 /nfs/dbraw/zinc/53/62/33/442536233.db2.gz HEMOWDNAGUDPAV-GOSISDBHSA-N 0 0 340.427 1.478 10 0 EDAERN CCCN(CCC)C(=O)CCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172764656 442538170 /nfs/dbraw/zinc/53/81/70/442538170.db2.gz WEUJUZPYKDNKCW-INIZCTEOSA-N 0 0 339.480 1.348 10 0 EDAERN COCCOCCNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178975857 442543341 /nfs/dbraw/zinc/54/33/41/442543341.db2.gz RLZJENWMPLHAEM-SWLSCSKDSA-N 0 0 344.358 1.445 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C1Cc2ccccc2C1 ZINC000157066288 442547787 /nfs/dbraw/zinc/54/77/87/442547787.db2.gz CUJBKQKLQLHHDJ-HNNXBMFYSA-N 0 0 346.456 1.762 10 0 EDAERN COCCN1CCN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H]1C ZINC000157149029 442555269 /nfs/dbraw/zinc/55/52/69/442555269.db2.gz NJPBYLQIYASICA-CQSZACIVSA-N 0 0 329.404 1.060 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)c3cnn(CC(C)C)c3)CCO2)cn1 ZINC000191792649 442512718 /nfs/dbraw/zinc/51/27/18/442512718.db2.gz SKARGCCXXGGZJQ-MRXNPFEDSA-N 0 0 331.420 1.969 10 0 EDAERN CNC(=O)c1ccc(NC(=O)N[C@@H](C(=O)NC)C(C)C)cc1Cl ZINC000178925307 442527995 /nfs/dbraw/zinc/52/79/95/442527995.db2.gz QAWKJNKCMZIHJX-GFCCVEGCSA-N 0 0 340.811 1.592 10 0 EDAERN Cc1nn(CC(=O)N2CC[C@H](N3CCOCC3)C2)c(C)c1Cl ZINC000172743627 442531053 /nfs/dbraw/zinc/53/10/53/442531053.db2.gz XHDNVIZKRPGVTP-ZDUSSCGKSA-N 0 0 326.828 1.086 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000179101144 442572529 /nfs/dbraw/zinc/57/25/29/442572529.db2.gz ZTFRCMHRJGMZMM-BHYGNILZSA-N 0 0 345.443 1.902 10 0 EDAERN C[C@@H](COCc1ccccc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000172959868 442573822 /nfs/dbraw/zinc/57/38/22/442573822.db2.gz YXJRTVCZRRKYHN-ZFWWWQNUSA-N 0 0 325.430 1.533 10 0 EDAERN Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135279826 442575534 /nfs/dbraw/zinc/57/55/34/442575534.db2.gz OEIGXFBFDOLZEJ-LBPRGKRZSA-N 0 0 330.436 1.775 10 0 EDAERN O=C(Nc1ccccc1)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135286631 442576450 /nfs/dbraw/zinc/57/64/50/442576450.db2.gz PWXXXXQDSYDXTA-CQSZACIVSA-N 0 0 325.372 1.200 10 0 EDAERN CCN(C[C@H](O)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000157427663 442582554 /nfs/dbraw/zinc/58/25/54/442582554.db2.gz GGSOJQPUHDXLFF-HOTGVXAUSA-N 0 0 327.446 1.073 10 0 EDAERN COCCOc1ccc(CC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000192080548 442587655 /nfs/dbraw/zinc/58/76/55/442587655.db2.gz YPBDNWGQQLNKCZ-MRXNPFEDSA-N 0 0 334.416 1.381 10 0 EDAERN NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000179166614 442587905 /nfs/dbraw/zinc/58/79/05/442587905.db2.gz YGDAYPPTLTVGKC-AWEZNQCLSA-N 0 0 335.379 1.838 10 0 EDAERN CCn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000135417596 442593266 /nfs/dbraw/zinc/59/32/66/442593266.db2.gz KGDBQNNPUOYSCR-STQMWFEESA-N 0 0 328.420 1.847 10 0 EDAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000179239015 442602688 /nfs/dbraw/zinc/60/26/88/442602688.db2.gz SPDNPHMXSGZCIE-ABAIWWIYSA-N 0 0 343.420 1.900 10 0 EDAERN Cn1cc([C@H]2CCN(C(=O)Cn3cc(-c4ccccc4)nn3)C2)cn1 ZINC000135502421 442603700 /nfs/dbraw/zinc/60/37/00/442603700.db2.gz XVMYBGNRJJRBME-HNNXBMFYSA-N 0 0 336.399 1.695 10 0 EDAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)O1 ZINC000157273506 442566920 /nfs/dbraw/zinc/56/69/20/442566920.db2.gz XRTISQGRSRRVMV-NHYWBVRUSA-N 0 0 338.429 1.881 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1C ZINC000180252762 442567237 /nfs/dbraw/zinc/56/72/37/442567237.db2.gz QULGFIBKRJEDCO-NVXWUHKLSA-N 0 0 345.443 1.421 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cncc(Cl)n2)C12CCOCC2 ZINC000192383343 442643636 /nfs/dbraw/zinc/64/36/36/442643636.db2.gz YYNMKQSDLPZHQH-VXGBXAGGSA-N 0 0 325.796 1.834 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCC(=O)OC(C)(C)C)CC2 ZINC000192392614 442644411 /nfs/dbraw/zinc/64/44/11/442644411.db2.gz VJAYHZIOMPVSNQ-GFCCVEGCSA-N 0 0 336.436 1.954 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)CC2 ZINC000187020627 442645782 /nfs/dbraw/zinc/64/57/82/442645782.db2.gz ATQPKECSJOTLAU-AWEZNQCLSA-N 0 0 341.415 1.852 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCc3cc(F)ccc32)cnn1C ZINC000179419067 442645832 /nfs/dbraw/zinc/64/58/32/442645832.db2.gz DLTUCXQOJVAWHF-CQSZACIVSA-N 0 0 330.363 2.000 10 0 EDAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000158170296 442651944 /nfs/dbraw/zinc/65/19/44/442651944.db2.gz JVBUXTNJZIVPBM-UKRRQHHQSA-N 0 0 340.468 1.093 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)Cc2cn3ccccc3n2)C12CCOCC2 ZINC000187114107 442654131 /nfs/dbraw/zinc/65/41/31/442654131.db2.gz DSXVNSIFWKIELT-JKSUJKDBSA-N 0 0 343.427 1.967 10 0 EDAERN CCCOc1cccc(CCNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000136193406 442655280 /nfs/dbraw/zinc/65/52/80/442655280.db2.gz WHXYQXZMLSGHDU-QGZVFWFLSA-N 0 0 335.448 1.648 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)cc1O ZINC000180532308 442617149 /nfs/dbraw/zinc/61/71/49/442617149.db2.gz BZILNUCWLYZBAA-SECBINFHSA-N 0 0 326.278 1.747 10 0 EDAERN Cc1cnn(CCNC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC000173201712 442622330 /nfs/dbraw/zinc/62/23/30/442622330.db2.gz DSUIARNZERIJNN-GOEBONIOSA-N 0 0 341.415 1.685 10 0 EDAERN CC[C@@H](C)Oc1cc(CNC(=O)NC[C@H]2CN(C)CCO2)ccn1 ZINC000180611442 442634046 /nfs/dbraw/zinc/63/40/46/442634046.db2.gz HLIVOMKURZEIMX-HIFRSBDPSA-N 0 0 336.436 1.389 10 0 EDAERN CO[C@H](C)[C@H](C)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000188073603 442707922 /nfs/dbraw/zinc/70/79/22/442707922.db2.gz LVMAPWPFXZDVTM-JGVFFNPUSA-N 0 0 332.198 1.693 10 0 EDAERN COC(=O)C1(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000187979684 442701624 /nfs/dbraw/zinc/70/16/24/442701624.db2.gz BPUVNHNDCGOSEK-HOCLYGCPSA-N 0 0 344.411 1.666 10 0 EDAERN COc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)ccc1Cl ZINC000136433411 442663057 /nfs/dbraw/zinc/66/30/57/442663057.db2.gz WHGRLOGRNYBPKL-ZDUSSCGKSA-N 0 0 336.779 1.989 10 0 EDAERN O=C(NC[C@@H]1COC2(CCCCC2)O1)NC[C@@H]1CCCC[C@@H]1O ZINC000180867737 442665918 /nfs/dbraw/zinc/66/59/18/442665918.db2.gz MILZBCBGTQZXEX-ZNMIVQPWSA-N 0 0 326.437 1.913 10 0 EDAERN C[C@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)N1CCOCC1 ZINC000181798638 442717268 /nfs/dbraw/zinc/71/72/68/442717268.db2.gz WTNVAPXQDCCZJG-CYBMUJFWSA-N 0 0 344.419 1.324 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(O)c(F)c2)CC1 ZINC000181810774 442717799 /nfs/dbraw/zinc/71/77/99/442717799.db2.gz MSZMXOXGBYAXDA-ZDUSSCGKSA-N 0 0 325.384 1.129 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)C1 ZINC000193299244 442731114 /nfs/dbraw/zinc/73/11/14/442731114.db2.gz BMGGCHKEQNTSNH-YPMHNXCESA-N 0 0 329.404 1.934 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)NCCS(=O)(=O)NC)o1 ZINC000188306866 442736581 /nfs/dbraw/zinc/73/65/81/442736581.db2.gz YXVWYQVIKCEFSW-CYBMUJFWSA-N 0 0 343.449 1.628 10 0 EDAERN CCC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccc(F)cc1F ZINC000193520723 442750307 /nfs/dbraw/zinc/75/03/07/442750307.db2.gz BXLSNUPMAJVJPA-UHOFOFEASA-N 0 0 340.370 1.904 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccnc(F)c3F)C2=O)n(C)n1 ZINC000193575275 442755652 /nfs/dbraw/zinc/75/56/52/442755652.db2.gz MXJQEJOUJHTJNG-LLVKDONJSA-N 0 0 349.341 1.327 10 0 EDAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000193091402 442712364 /nfs/dbraw/zinc/71/23/64/442712364.db2.gz SVNMYINDGOCPSC-CMPLNLGQSA-N 0 0 325.796 1.649 10 0 EDAERN CC(C)OCCS(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181724120 442713076 /nfs/dbraw/zinc/71/30/76/442713076.db2.gz HXRZIKFEADYKAH-LBPRGKRZSA-N 0 0 330.454 1.061 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cnc(Br)c(C)c1 ZINC000193794720 442787953 /nfs/dbraw/zinc/78/79/53/442787953.db2.gz LCPTZGWXHUVEIT-GHMZBOCLSA-N 0 0 342.193 1.073 10 0 EDAERN COc1cccc(SCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246607629 442796477 /nfs/dbraw/zinc/79/64/77/442796477.db2.gz CAGWMPSKRYMGEU-KGLIPLIRSA-N 0 0 338.473 1.701 10 0 EDAERN COc1ccc(F)c(C(=O)N2CCC[C@H](n3cncn3)C2)c1OC ZINC000188516590 442758938 /nfs/dbraw/zinc/75/89/38/442758938.db2.gz OWMPVZYNDIMFOE-NSHDSACASA-N 0 0 334.351 1.912 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2oc3ccc(F)cc3c2C)C1 ZINC000188519692 442759425 /nfs/dbraw/zinc/75/94/25/442759425.db2.gz QWTTWSOOTCKJOS-UHFFFAOYSA-N 0 0 349.362 1.537 10 0 EDAERN CCOCCN1CCN(c2ncccc2S(C)(=O)=O)C[C@@H]1CC ZINC000188555058 442762937 /nfs/dbraw/zinc/76/29/37/442762937.db2.gz ZXYOPKBRFSOLED-AWEZNQCLSA-N 0 0 341.477 1.422 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000188571266 442764185 /nfs/dbraw/zinc/76/41/85/442764185.db2.gz GWJZQCQPIJXYND-GDBMZVCRSA-N 0 0 338.354 1.438 10 0 EDAERN CC(C)C[C@H](CN(C)C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000246336248 442774124 /nfs/dbraw/zinc/77/41/24/442774124.db2.gz FATLGWNNNJADQO-MGPQQGTHSA-N 0 0 333.498 1.180 10 0 EDAERN C[C@H]1CN(Cc2nnc(-c3ccccc3)n2C)C[C@H]1N1CCOCC1 ZINC000246432026 442781110 /nfs/dbraw/zinc/78/11/10/442781110.db2.gz LLIRETDOAADJAA-DOTOQJQBSA-N 0 0 341.459 1.635 10 0 EDAERN Cc1cc(C)c2c(c1)CN(C(=O)N[C@@H]1CCc3ncnn3C1)CC2 ZINC000188861422 442830179 /nfs/dbraw/zinc/83/01/79/442830179.db2.gz BSUXOYUZZNKQIR-OAHLLOKOSA-N 0 0 325.416 1.978 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000188869991 442831496 /nfs/dbraw/zinc/83/14/96/442831496.db2.gz ZKXQVMZWIMSLJH-SECBINFHSA-N 0 0 331.294 1.373 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCCOCC(F)F)[C@@H]1c1ccc(F)cc1 ZINC000188771248 442809613 /nfs/dbraw/zinc/80/96/13/442809613.db2.gz AQOZJWRJIOAWFL-WFASDCNBSA-N 0 0 344.333 1.743 10 0 EDAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1nc2ccccc2[nH]1 ZINC000188777972 442811392 /nfs/dbraw/zinc/81/13/92/442811392.db2.gz XGTKADLUNFIZOA-LLVKDONJSA-N 0 0 341.415 1.934 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)[C@H]2SCCc3sccc32)C[C@@H]1C ZINC000246776360 442811627 /nfs/dbraw/zinc/81/16/27/442811627.db2.gz IMUPRMCVVRWUFH-HUBLWGQQSA-N 0 0 340.514 1.992 10 0 EDAERN Cc1csc([C@H]2CN(S(=O)(=O)CC3CCOCC3)CCO2)n1 ZINC000193943089 442816218 /nfs/dbraw/zinc/81/62/18/442816218.db2.gz AQBLMOWMPWYUBY-CYBMUJFWSA-N 0 0 346.474 1.581 10 0 EDAERN C[C@H](CNC(=O)NCc1ccc2ncccc2c1)N1CCOCC1 ZINC000194013005 442829054 /nfs/dbraw/zinc/82/90/54/442829054.db2.gz XNHGDVYGBFFRKZ-CQSZACIVSA-N 0 0 328.416 1.755 10 0 EDAERN Cc1ccc(OC[C@H](O)CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000247374355 442850126 /nfs/dbraw/zinc/85/01/26/442850126.db2.gz VBSKYTOLZDICQP-SJLPKXTDSA-N 0 0 331.416 1.332 10 0 EDAERN CO[C@H](C)CNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000189062819 442869865 /nfs/dbraw/zinc/86/98/65/442869865.db2.gz HPLZCWQAFHEHOK-QMTHXVAHSA-N 0 0 328.359 1.870 10 0 EDAERN COc1ccccc1C(=O)N[C@H](C(=O)N1CC[C@H]([C@@H](C)O)C1)C(C)C ZINC000183166324 442893325 /nfs/dbraw/zinc/89/33/25/442893325.db2.gz QRHIPHAOHVDODP-KEYYUXOJSA-N 0 0 348.443 1.679 10 0 EDAERN Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000189197084 442895830 /nfs/dbraw/zinc/89/58/30/442895830.db2.gz LEWFXJMBCNFNOV-JOYOIKCWSA-N 0 0 347.849 1.944 10 0 EDAERN COC[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000194455333 442899442 /nfs/dbraw/zinc/89/94/42/442899442.db2.gz OSORNORYEXTMMD-KBPBESRZSA-N 0 0 349.822 1.933 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ncccc1OCC(F)(F)F ZINC000189240610 442903001 /nfs/dbraw/zinc/90/30/01/442903001.db2.gz WLPPKKNHYVBYHX-SECBINFHSA-N 0 0 331.294 1.373 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000189243995 442904221 /nfs/dbraw/zinc/90/42/21/442904221.db2.gz UTAFURRPOPKHPP-RNCFNFMXSA-N 0 0 337.326 1.195 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000189244040 442904225 /nfs/dbraw/zinc/90/42/25/442904225.db2.gz UTAFURRPOPKHPP-NOZJJQNGSA-N 0 0 337.326 1.195 10 0 EDAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC2C3CC4CC(C3)CC2C4)O1 ZINC000183214066 442904296 /nfs/dbraw/zinc/90/42/96/442904296.db2.gz KOKMAYWSEOHWRO-KTLTXMRPSA-N 0 0 349.475 1.746 10 0 EDAERN CCCCCNC(=O)CS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182393673 318505516 /nfs/dbraw/zinc/50/55/16/318505516.db2.gz HGNBEONCZCKTHT-UHFFFAOYSA-N 0 0 330.454 1.160 10 0 EDAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cnns3)C[C@H]12 ZINC000183268756 442914562 /nfs/dbraw/zinc/91/45/62/442914562.db2.gz BCXBUCNPQAUIBS-OUAUKWLOSA-N 0 0 338.433 1.913 10 0 EDAERN CN1CCO[C@@H](CNC(=O)COc2ccc(Br)cc2)C1 ZINC000194631973 442927733 /nfs/dbraw/zinc/92/77/33/442927733.db2.gz SXALBBCXXVSKCI-ZDUSSCGKSA-N 0 0 343.221 1.275 10 0 EDAERN CN1CCO[C@@H](CNC(=O)COc2cccc(Br)c2)C1 ZINC000194635053 442928475 /nfs/dbraw/zinc/92/84/75/442928475.db2.gz BFQNBZZTDPQPPN-ZDUSSCGKSA-N 0 0 343.221 1.275 10 0 EDAERN COc1cccc(CO[C@H](C)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189395231 442939673 /nfs/dbraw/zinc/93/96/73/442939673.db2.gz CHIZTZHMMCKKIN-GFCCVEGCSA-N 0 0 332.400 1.337 10 0 EDAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000194733936 442944988 /nfs/dbraw/zinc/94/49/88/442944988.db2.gz HJJVYALALBDZNR-JTQLQIEISA-N 0 0 338.351 1.314 10 0 EDAERN O=C(NC1CC1)c1ccc(CN(C(=O)[C@H]2CNC(=O)C2)C2CC2)cc1 ZINC000194790377 442953748 /nfs/dbraw/zinc/95/37/48/442953748.db2.gz DQUALOKVOAHOMB-CQSZACIVSA-N 0 0 341.411 1.206 10 0 EDAERN C[C@@H](C(=O)Nc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1)n1cccn1 ZINC000194800079 442954880 /nfs/dbraw/zinc/95/48/80/442954880.db2.gz XBJUXDKBCZUSCC-NWDGAFQWSA-N 0 0 341.371 1.157 10 0 EDAERN Cc1nnc([C@@H]2CN(CCOCC(F)(F)C(F)F)CCO2)[nH]1 ZINC000189449632 442956693 /nfs/dbraw/zinc/95/66/93/442956693.db2.gz SBGXWMPHYZSGGS-VIFPVBQESA-N 0 0 326.294 1.403 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000189457202 442959376 /nfs/dbraw/zinc/95/93/76/442959376.db2.gz FRDSPYHFHZGFJN-CQSZACIVSA-N 0 0 339.823 1.194 10 0 EDAERN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000194830129 442960165 /nfs/dbraw/zinc/96/01/65/442960165.db2.gz IIBINEHKCYPJQJ-IUODEOHRSA-N 0 0 343.427 1.942 10 0 EDAERN C[C@H](CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)NC(=O)OC(C)(C)C ZINC000194955851 442971760 /nfs/dbraw/zinc/97/17/60/442971760.db2.gz VIPQCQNFCNWTKX-SNVBAGLBSA-N 0 0 348.403 1.889 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000189875976 443022732 /nfs/dbraw/zinc/02/27/32/443022732.db2.gz PETSVFXBWODJJX-SRCQZFHVSA-N 0 0 334.416 1.633 10 0 EDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2nccs2)CC1 ZINC000198433510 443041505 /nfs/dbraw/zinc/04/15/05/443041505.db2.gz HRMLUELYHVRWHU-LLVKDONJSA-N 0 0 334.401 1.203 10 0 EDAERN COCCN1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@H]1C ZINC000190331378 443086297 /nfs/dbraw/zinc/08/62/97/443086297.db2.gz ZEDCHDKOYWRBAZ-CYBMUJFWSA-N 0 0 341.402 1.869 10 0 EDAERN COc1cc2c(=O)ncn(Cc3nnc(C4CC4)n3C)c2cc1F ZINC000184903995 443095461 /nfs/dbraw/zinc/09/54/61/443095461.db2.gz YBJRCTLETIGYIV-UHFFFAOYSA-N 0 0 329.335 1.598 10 0 EDAERN COc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cc1F ZINC000184908580 443096306 /nfs/dbraw/zinc/09/63/06/443096306.db2.gz DZHUYZCZDYDSPR-WCQYABFASA-N 0 0 338.379 1.749 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCOc2ccccc2C(C)(C)C)C1 ZINC000190053638 443051846 /nfs/dbraw/zinc/05/18/46/443051846.db2.gz HPSDRQCAZOBTLJ-UHFFFAOYSA-N 0 0 333.432 1.893 10 0 EDAERN CCO[C@H]1C[C@H](NC(=O)NCCCn2ccnc2)C12CCOCC2 ZINC000184708571 443064116 /nfs/dbraw/zinc/06/41/16/443064116.db2.gz RZTJBBFJXNFUSV-GJZGRUSLSA-N 0 0 336.436 1.547 10 0 EDAERN O=C1[C@H](N2C[C@H](O)C[C@@H]2CO)CCN1c1ccc(Cl)c(F)c1 ZINC000184738147 443070096 /nfs/dbraw/zinc/07/00/96/443070096.db2.gz SAYIEHOMJJYZQY-JTNHKYCSSA-N 0 0 328.771 1.012 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cn1 ZINC000253623538 443075249 /nfs/dbraw/zinc/07/52/49/443075249.db2.gz YPSDWFIDMPUKKK-RBSFLKMASA-N 0 0 340.445 1.794 10 0 EDAERN CC(C)(C)OC(=O)CC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000222882778 443082950 /nfs/dbraw/zinc/08/29/50/443082950.db2.gz MAPMSAVDQMPFSC-WDEREUQCSA-N 0 0 329.393 1.658 10 0 EDAERN O=S1(=O)CC[C@@H](c2nc(I)ns2)C1 ZINC000230110560 443133849 /nfs/dbraw/zinc/13/38/49/443133849.db2.gz NKODTSXQXISFEA-SCSAIBSYSA-N 0 0 330.172 1.045 10 0 EDAERN CCc1ccc([C@H]2CCCCN2C(=O)C(=O)NCC(=O)N(C)C)o1 ZINC000190402398 443100476 /nfs/dbraw/zinc/10/04/76/443100476.db2.gz OHYNRAAQHJKCGY-CYBMUJFWSA-N 0 0 335.404 1.100 10 0 EDAERN Cc1cccn(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1=O ZINC000225547851 443112230 /nfs/dbraw/zinc/11/22/30/443112230.db2.gz LKHBAOUPFGNHIJ-JKSUJKDBSA-N 0 0 330.359 1.630 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000190472870 443115345 /nfs/dbraw/zinc/11/53/45/443115345.db2.gz GSUZSCFTITVEBG-INIZCTEOSA-N 0 0 330.432 1.988 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc([C@@H](C)O)cc2)CC1 ZINC000185004004 443115600 /nfs/dbraw/zinc/11/56/00/443115600.db2.gz AANDBFSHXFTFIR-RHSMWYFYSA-N 0 0 335.448 1.338 10 0 EDAERN Cc1cccc(-c2ocnc2C(=O)N2CCOCCNC(=O)CC2)c1 ZINC000257181176 443118463 /nfs/dbraw/zinc/11/84/63/443118463.db2.gz MRHOLCXYNUTKNZ-UHFFFAOYSA-N 0 0 343.383 1.629 10 0 EDAERN CC(=O)NC1CN(C(=O)c2cccc(OCc3csc(C)n3)c2)C1 ZINC000190487702 443118488 /nfs/dbraw/zinc/11/84/88/443118488.db2.gz IUEDKVHLHIEIDI-UHFFFAOYSA-N 0 0 345.424 1.991 10 0 EDAERN Cc1nnsc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000190514258 443124367 /nfs/dbraw/zinc/12/43/67/443124367.db2.gz QOXMEXNFPCGMNC-CQSZACIVSA-N 0 0 332.429 1.338 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2nc(C)oc2-c2ccccc2)C1 ZINC000185245040 443168504 /nfs/dbraw/zinc/16/85/04/443168504.db2.gz RKVKKGAYNPTDKX-UHFFFAOYSA-N 0 0 329.356 1.237 10 0 EDAERN NC(=O)c1cc(OC(F)(F)F)cnc1I ZINC000238617568 443196520 /nfs/dbraw/zinc/19/65/20/443196520.db2.gz VUAXMHFJKVYSPI-UHFFFAOYSA-N 0 0 332.019 1.684 10 0 EDAERN CCCc1cnc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)s1 ZINC000190614168 443149399 /nfs/dbraw/zinc/14/93/99/443149399.db2.gz UOEZJZNNYXIWEC-NSHDSACASA-N 0 0 348.432 1.585 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)c1cnn(C)c1N)c1ccccc1C ZINC000185209489 443161025 /nfs/dbraw/zinc/16/10/25/443161025.db2.gz SJKAEGMFZCZRGA-AWEZNQCLSA-N 0 0 330.388 1.735 10 0 EDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(-c2nc[nH]n2)cc1 ZINC000185750934 443250996 /nfs/dbraw/zinc/25/09/96/443250996.db2.gz IFYHWGVUHIGEHE-OAHLLOKOSA-N 0 0 349.398 1.661 10 0 EDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000191342350 443282192 /nfs/dbraw/zinc/28/21/92/443282192.db2.gz RIFYKYGTYVCGEM-UHFFFAOYSA-N 0 0 343.305 1.077 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000191371239 443285208 /nfs/dbraw/zinc/28/52/08/443285208.db2.gz DRMFYCNVEABNFT-SNVBAGLBSA-N 0 0 327.331 1.264 10 0 EDAERN CCO[C@@H]1C[C@H](NC(=O)NCC2CCOCC2)C12CCOCC2 ZINC000185810787 443261709 /nfs/dbraw/zinc/26/17/09/443261709.db2.gz SZRHZSBKWKBXLX-LSDHHAIUSA-N 0 0 326.437 1.686 10 0 EDAERN CC(C)Oc1ncccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299744435 444132500 /nfs/dbraw/zinc/13/25/00/444132500.db2.gz OUVRHRXISHXHCI-GHMZBOCLSA-N 0 0 345.321 1.605 10 0 EDAERN Cc1cc(C)n2c(CN3CCC[C@H]3c3nc(C(N)=O)no3)cnc2n1 ZINC000328653842 444416362 /nfs/dbraw/zinc/41/63/62/444416362.db2.gz XAIYLBGHVXXFNZ-LBPRGKRZSA-N 0 0 341.375 1.165 10 0 EDAERN CCc1nnc2n1CCN(C1CN(c3ncnc(CC)c3F)C1)C2 ZINC000328654754 444416567 /nfs/dbraw/zinc/41/65/67/444416567.db2.gz XUCALXOIGFPPCH-UHFFFAOYSA-N 0 0 331.399 1.036 10 0 EDAERN CCCc1n[nH]cc1C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000328623753 444398007 /nfs/dbraw/zinc/39/80/07/444398007.db2.gz JLNSQCNDXCQLJL-HNNXBMFYSA-N 0 0 344.419 1.432 10 0 EDAERN Cn1ccnc(N2CCC[C@@H](NC(=O)c3cccn3C3CC3)C2)c1=O ZINC000328625142 444399253 /nfs/dbraw/zinc/39/92/53/444399253.db2.gz CUCKQPUKCOZQLP-CYBMUJFWSA-N 0 0 341.415 1.316 10 0 EDAERN NC(=O)c1noc([C@H]2CCCN2c2nc(C(F)(F)F)cs2)n1 ZINC000328624724 444399587 /nfs/dbraw/zinc/39/95/87/444399587.db2.gz KCCRVZUPHJTABI-RXMQYKEDSA-N 0 0 333.295 1.985 10 0 EDAERN Cc1ccn(-c2ccc(N3CCN(C)[C@H](c4nccn4C)C3)nn2)n1 ZINC000373678796 446300331 /nfs/dbraw/zinc/30/03/31/446300331.db2.gz CHOOMYZVOXQXQB-AWEZNQCLSA-N 0 0 338.419 1.197 10 0 EDAERN CCN1CCO[C@H](CNc2ncc(Br)cc2C#N)C1 ZINC000389408084 447483460 /nfs/dbraw/zinc/48/34/60/447483460.db2.gz KIBLFOXKFLFKFI-GFCCVEGCSA-N 0 0 325.210 1.848 10 0 EDAERN CCOC(=O)Cc1cc(I)c(N)c(OC)c1 ZINC000575724330 447882968 /nfs/dbraw/zinc/88/29/68/447882968.db2.gz BDBYIOFCDVZHGA-UHFFFAOYSA-N 0 0 335.141 1.988 10 0 EDAERN C[C@@H]1CN(C)C[C@H](c2nc(Cn3cc(Br)cn3)no2)O1 ZINC000527545115 448261649 /nfs/dbraw/zinc/26/16/49/448261649.db2.gz OYVGKZPJDMDRHC-PSASIEDQSA-N 0 0 342.197 1.469 10 0 EDAERN Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCC(=O)N[C@H]3C)c2)nn1 ZINC000583242234 448428272 /nfs/dbraw/zinc/42/82/72/448428272.db2.gz OXGZUWIFRXHVKW-WFASDCNBSA-N 0 0 339.399 1.926 10 0 EDAERN CCN1CCN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1nccn1C ZINC000583615055 448441027 /nfs/dbraw/zinc/44/10/27/448441027.db2.gz LNSWKFYPDGTFDH-AWEZNQCLSA-N 0 0 329.404 1.348 10 0 EDAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCO[C@@H](c2nncn2C)C1 ZINC000583623643 448454632 /nfs/dbraw/zinc/45/46/32/448454632.db2.gz UUCHAQLUVHVJPQ-APIJFGDWSA-N 0 0 335.452 1.272 10 0 EDAERN Cc1cc(OCCS(=O)(=O)[C@H](CO)CCO)cc(C)c1Cl ZINC000584615350 448585164 /nfs/dbraw/zinc/58/51/64/448585164.db2.gz NDNHLWNDWRRBJA-ZDUSSCGKSA-N 0 0 336.837 1.494 10 0 EDAERN COc1c(=O)c(Br)cn2c1C(=O)C(C)(C)[C@@H](OC)C2 ZINC000584625284 448586178 /nfs/dbraw/zinc/58/61/78/448586178.db2.gz JSJQTFPQXUYWDF-QMMMGPOBSA-N 0 0 330.178 1.857 10 0 EDAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000614456926 449622020 /nfs/dbraw/zinc/62/20/20/449622020.db2.gz WZBYYKSUKCLROP-MFKMUULPSA-N 0 0 329.400 1.338 10 0 EDAERN NS(=O)(=O)N1c2ccccc2NC[C@H]1c1cnnc2ccccc21 ZINC000616686001 450460158 /nfs/dbraw/zinc/46/01/58/450460158.db2.gz ZXTVEKARLYLPCF-INIZCTEOSA-N 0 0 341.396 1.807 10 0 EDAERN CC(C)(C)OC(=O)NC[C@@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616689308 450460521 /nfs/dbraw/zinc/46/05/21/450460521.db2.gz AMMMLHPSSZAXND-CYBMUJFWSA-N 0 0 341.433 1.314 10 0 EDAERN CS(=O)(=O)N1C[C@H](c2cccc(C(N)=O)c2)Nc2ccccc21 ZINC000616692193 450461132 /nfs/dbraw/zinc/46/11/32/450461132.db2.gz SGYJMBJFYWYEON-CQSZACIVSA-N 0 0 331.397 1.718 10 0 EDAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1Br ZINC000629238626 451613276 /nfs/dbraw/zinc/61/32/76/451613276.db2.gz ZHRQRRYSXCZTCP-MNOVXSKESA-N 0 0 334.597 1.982 10 0 EDAERN COC[C@]1(C(N)=O)CCCN1Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000643763749 452604852 /nfs/dbraw/zinc/60/48/52/452604852.db2.gz GRHQYWWBDXJUGT-SFHVURJKSA-N 0 0 344.415 1.347 10 0 EDAERN O=C(CN1CCCC[C@H](O)C1=O)NCCc1cccc2[nH]ccc21 ZINC000644469468 453494786 /nfs/dbraw/zinc/49/47/86/453494786.db2.gz NRNKNHFRFVYGRI-INIZCTEOSA-N 0 0 329.400 1.200 10 0 EDAERN C[C@@H](C(=O)N1CCOCC2(CC2)C1)N1C(=O)c2ccccc2C1=O ZINC000679875158 486660577 /nfs/dbraw/zinc/66/05/77/486660577.db2.gz WSWUEBCSOWNXMY-LBPRGKRZSA-N 0 0 328.368 1.310 10 0 EDAERN CC(C)c1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1 ZINC000074774943 486798415 /nfs/dbraw/zinc/79/84/15/486798415.db2.gz IJCTVKHXXDUULB-HNNXBMFYSA-N 0 0 326.462 1.761 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NC(C)C ZINC000212355615 485666653 /nfs/dbraw/zinc/66/66/53/485666653.db2.gz UMOQPVLPDIPTHL-XJKSGUPXSA-N 0 0 333.432 1.472 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)N(C)Cc2cc[nH]n2)[C@H]1c1nccn1C ZINC000668624436 485964563 /nfs/dbraw/zinc/96/45/63/485964563.db2.gz NUTHALCPLUROSM-ZFWWWQNUSA-N 0 0 344.419 1.101 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)Cc1ccccc1Cl ZINC000074775053 486020970 /nfs/dbraw/zinc/02/09/70/486020970.db2.gz USVDVNQDZJOXJH-ZDUSSCGKSA-N 0 0 332.853 1.432 10 0 EDAERN CS(=O)(=O)Nc1cc(Cl)ncc1I ZINC000216421591 486491819 /nfs/dbraw/zinc/49/18/19/486491819.db2.gz OKADKPDCEOKYNR-UHFFFAOYSA-N 0 0 332.550 1.711 10 0 EDAERN O[C@@]1(Cn2ccnn2)CCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000671467490 486551141 /nfs/dbraw/zinc/55/11/41/486551141.db2.gz YMSKHYLBIVKZHY-HNNXBMFYSA-N 0 0 332.314 1.141 10 0 EDAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1F ZINC000088235824 491194721 /nfs/dbraw/zinc/19/47/21/491194721.db2.gz HAAKBFAQAFIGQT-SMDDNHRTSA-N 0 0 328.409 1.735 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000124161346 491003541 /nfs/dbraw/zinc/00/35/41/491003541.db2.gz CJSGDYMACWTEIB-MELADBBJSA-N 0 0 335.408 1.011 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000155201490 533737883 /nfs/dbraw/zinc/73/78/83/533737883.db2.gz UQMQUNMTXFQFBM-DOMZBBRYSA-N 0 0 325.368 1.360 10 0 EDAERN COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000183387300 533842468 /nfs/dbraw/zinc/84/24/68/533842468.db2.gz RIIJOTFMXZAITH-MRVPVSSYSA-N 0 0 328.315 1.851 10 0 EDAERN COC(=O)N[C@@H](C(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)C ZINC000155283311 534140610 /nfs/dbraw/zinc/14/06/10/534140610.db2.gz MJPRLOZHSKAXOK-CYBMUJFWSA-N 0 0 331.376 1.801 10 0 EDAERN COC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)c(O)c1 ZINC000170505966 534221333 /nfs/dbraw/zinc/22/13/33/534221333.db2.gz QAMNJUDLNBZRRU-OAHLLOKOSA-N 0 0 329.308 1.957 10 0 EDAERN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(N)c2ccccc21 ZINC000169082195 534229745 /nfs/dbraw/zinc/22/97/45/534229745.db2.gz PKEISLOOASQZGH-WVDJIFEKSA-N 0 0 326.443 1.467 10 0 EDAERN C[C@@H](Cn1nnnc1-c1cc(N)cc(Br)c1)[S@@](C)=O ZINC000166187453 534275395 /nfs/dbraw/zinc/27/53/95/534275395.db2.gz LNNLCZCLIRRLTP-IIYDVTGLSA-N 0 0 344.238 1.452 10 0 EDAERN O=C(CCCCCc1cccs1)NC[C@H](O)CN1CCOCC1 ZINC000132962965 534341381 /nfs/dbraw/zinc/34/13/81/534341381.db2.gz YWCOKENKISKILS-HNNXBMFYSA-N 0 0 340.489 1.660 10 0 EDAERN O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCCC[C@@H]1CO ZINC000151116733 534395334 /nfs/dbraw/zinc/39/53/34/534395334.db2.gz WEGJMMMIZNUELJ-ZIAGYGMSSA-N 0 0 332.400 1.469 10 0 EDAERN C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2Cl)C[C@H]1C ZINC000165102905 534405225 /nfs/dbraw/zinc/40/52/25/534405225.db2.gz DDWXWCXYXTVIEF-HTQZYQBOSA-N 0 0 334.800 1.855 10 0 EDAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@@H]1N1CCOCC1 ZINC000173878867 534409043 /nfs/dbraw/zinc/40/90/43/534409043.db2.gz HDUNFKRWPGLMMO-CJNGLKHVSA-N 0 0 342.399 1.529 10 0 EDAERN O=C(NCCn1cccn1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172592101 534518096 /nfs/dbraw/zinc/51/80/96/534518096.db2.gz BREMWTPLLNZCNY-UHFFFAOYSA-N 0 0 340.387 1.556 10 0 EDAERN Cc1nc(S(N)(=O)=O)cn1Cc1ccc(Br)cc1F ZINC000159387894 534522356 /nfs/dbraw/zinc/52/23/56/534522356.db2.gz UOPKDXBPABRCBG-UHFFFAOYSA-N 0 0 348.197 1.789 10 0 EDAERN Cc1sc(=O)n(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000135298076 534604420 /nfs/dbraw/zinc/60/44/20/534604420.db2.gz RSDRJSLJBJUQBR-CYBMUJFWSA-N 0 0 347.444 1.102 10 0 EDAERN O=C(c1ccc(Br)c(Cl)c1)N1CCOC[C@@H]1CO ZINC000168172476 534690663 /nfs/dbraw/zinc/69/06/63/534690663.db2.gz LYDVQYXEGAHRSS-VIFPVBQESA-N 0 0 334.597 1.936 10 0 EDAERN O=C(c1cccc(I)c1)N1CCOC[C@@H]1CO ZINC000168173588 534738042 /nfs/dbraw/zinc/73/80/42/534738042.db2.gz QIOSBDWGYBMATI-NSHDSACASA-N 0 0 347.152 1.125 10 0 EDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H](O)c3ccccc3)C2)n1 ZINC000174921415 534886565 /nfs/dbraw/zinc/88/65/65/534886565.db2.gz USCCYUXGYATSDA-DOTOQJQBSA-N 0 0 328.416 1.867 10 0 EDAERN CC(=O)NC1CN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000190500266 526707048 /nfs/dbraw/zinc/70/70/48/526707048.db2.gz CYSHZZBHWCFSKO-UHFFFAOYSA-N 0 0 348.790 1.670 10 0 EDAERN CC(=O)NC1CN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)C1 ZINC000190451417 526712859 /nfs/dbraw/zinc/71/28/59/526712859.db2.gz JHBWHPKWCYZVNY-INIZCTEOSA-N 0 0 331.416 1.096 10 0 EDAERN Cc1nc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)cn1C ZINC000188875314 527010103 /nfs/dbraw/zinc/01/01/03/527010103.db2.gz IRAPGTBGBSCLMG-OLZOCXBDSA-N 0 0 341.458 1.187 10 0 EDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000131827449 527283399 /nfs/dbraw/zinc/28/33/99/527283399.db2.gz GBBMZQAQZPPHSI-LBPRGKRZSA-N 0 0 346.836 1.152 10 0 EDAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000171396367 527358496 /nfs/dbraw/zinc/35/84/96/527358496.db2.gz DOBYPEROWIHTKR-INIZCTEOSA-N 0 0 340.383 1.925 10 0 EDAERN CC(C)[C@H](O)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000158838383 527741142 /nfs/dbraw/zinc/74/11/42/527741142.db2.gz YHWHRFGRHQWLFP-LLVKDONJSA-N 0 0 332.809 1.130 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C12CCOCC2 ZINC000187164570 527829029 /nfs/dbraw/zinc/82/90/29/527829029.db2.gz PJAKTXDMGQMBAA-ZIAGYGMSSA-N 0 0 345.403 1.067 10 0 EDAERN CCC[C@@H]1NC(=O)CCN(Cc2ccc(Br)cn2)C1=O ZINC000168915282 527867465 /nfs/dbraw/zinc/86/74/65/527867465.db2.gz BMLFIDOIEYBWKS-LBPRGKRZSA-N 0 0 340.221 1.861 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(CO)c2)C1 ZINC000162642588 527952112 /nfs/dbraw/zinc/95/21/12/527952112.db2.gz IIIHEWMCAJAKNA-ZBFHGGJFSA-N 0 0 348.443 1.854 10 0 EDAERN CC(C)CNC(=O)[C@H](C)n1ncc(I)cc1=O ZINC000158590424 528058776 /nfs/dbraw/zinc/05/87/76/528058776.db2.gz WHCZFFPJZRFAMB-QMMMGPOBSA-N 0 0 349.172 1.181 10 0 EDAERN CCOC(=O)c1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000171869287 528217451 /nfs/dbraw/zinc/21/74/51/528217451.db2.gz MMQGFXBYOYHWMV-AWEZNQCLSA-N 0 0 343.387 1.269 10 0 EDAERN CC(C)S(=O)(=O)CCN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000178222533 528299805 /nfs/dbraw/zinc/29/98/05/528299805.db2.gz NUSKJILVTCHKHG-CQSZACIVSA-N 0 0 326.466 1.200 10 0 EDAERN CCOC(=O)c1cnc(SC)nc1N1CCC(C(=O)OC)CC1 ZINC000170541226 528303184 /nfs/dbraw/zinc/30/31/84/528303184.db2.gz IONHUBBHLNPQAW-UHFFFAOYSA-N 0 0 339.417 1.765 10 0 EDAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000171586484 528311977 /nfs/dbraw/zinc/31/19/77/528311977.db2.gz NGUKNCMENRJXAK-AWEZNQCLSA-N 0 0 336.457 1.789 10 0 EDAERN CC(C)[C@@H](C)NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000190366531 528416544 /nfs/dbraw/zinc/41/65/44/528416544.db2.gz UXZPJRQAXZEUOZ-GFCCVEGCSA-N 0 0 328.434 1.296 10 0 EDAERN CCN[C@H](C)c1csc(NC(=O)[C@@H]2CCCCS2(=O)=O)n1 ZINC000168016077 528424125 /nfs/dbraw/zinc/42/41/25/528424125.db2.gz QEUZAPJZGHXGJM-KOLCDFICSA-N 0 0 331.463 1.719 10 0 EDAERN CC(C)c1nnc(CNc2ccc(S(=O)(=O)CCO)cc2)n1C ZINC000158905484 528446779 /nfs/dbraw/zinc/44/67/79/528446779.db2.gz QRBXMBUBBNRRID-UHFFFAOYSA-N 0 0 338.433 1.317 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)Cc1ccncc1)CC2 ZINC000181741253 528474623 /nfs/dbraw/zinc/47/46/23/528474623.db2.gz HNTCSJIZSWSEAB-AWEZNQCLSA-N 0 0 328.420 1.953 10 0 EDAERN CCCCN1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000184262687 528484122 /nfs/dbraw/zinc/48/41/22/528484122.db2.gz AFEKFUNSOYUISS-BBRMVZONSA-N 0 0 348.447 1.855 10 0 EDAERN CCCNc1ccc(S(=O)(=O)NC2CCS(=O)CC2)cn1 ZINC000159081539 528570744 /nfs/dbraw/zinc/57/07/44/528570744.db2.gz CPWHBTGCSWPIIY-UHFFFAOYSA-N 0 0 331.463 1.093 10 0 EDAERN CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000153775671 528858095 /nfs/dbraw/zinc/85/80/95/528858095.db2.gz BEGKQKAJGBDMDB-VXGBXAGGSA-N 0 0 337.424 1.044 10 0 EDAERN CCCn1cncc1Cn1ncc(I)cc1=O ZINC000158604875 528868679 /nfs/dbraw/zinc/86/86/79/528868679.db2.gz OXPSOWHUBORFFV-UHFFFAOYSA-N 0 0 344.156 1.503 10 0 EDAERN CCOC(=O)C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccccc1C ZINC000151607926 528899399 /nfs/dbraw/zinc/89/93/99/528899399.db2.gz IOCDBSANSDTGSB-HIFRSBDPSA-N 0 0 332.400 1.632 10 0 EDAERN CCCn1ncnc1Cn1cc(N)c(C)c(Br)c1=O ZINC000165405971 528903264 /nfs/dbraw/zinc/90/32/64/528903264.db2.gz DTQXBBSUWPJQJA-UHFFFAOYSA-N 0 0 326.198 1.551 10 0 EDAERN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000133045639 528999344 /nfs/dbraw/zinc/99/93/44/528999344.db2.gz DYGKXCAJKDNCDW-XHSDSOJGSA-N 0 0 333.432 1.938 10 0 EDAERN CCOC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000185908994 529014552 /nfs/dbraw/zinc/01/45/52/529014552.db2.gz GMIYNUMVQOSHKM-GJZGRUSLSA-N 0 0 349.435 1.769 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000181186117 529227208 /nfs/dbraw/zinc/22/72/08/529227208.db2.gz QZFQBZCLEPCXCH-QGZVFWFLSA-N 0 0 346.475 1.989 10 0 EDAERN CCCNC(=O)c1cccc(C(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000078086105 535137818 /nfs/dbraw/zinc/13/78/18/535137818.db2.gz QJVKHBADGUYKPE-INIZCTEOSA-N 0 0 331.416 1.567 10 0 EDAERN CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000105281345 535431903 /nfs/dbraw/zinc/43/19/03/535431903.db2.gz DTYDLCBCURUKMV-CQSZACIVSA-N 0 0 334.420 1.197 10 0 EDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C ZINC000247249264 535605723 /nfs/dbraw/zinc/60/57/23/535605723.db2.gz XQBMJSFHFQTUFC-OAHLLOKOSA-N 0 0 326.462 1.726 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](CCO)CC(C)C)CC2 ZINC000174972086 536164472 /nfs/dbraw/zinc/16/44/72/536164472.db2.gz LQVNITSJBMADJT-ZIAGYGMSSA-N 0 0 337.468 1.499 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000105816268 536299263 /nfs/dbraw/zinc/29/92/63/536299263.db2.gz GORZHPVJMNWBKB-UHFFFAOYSA-N 0 0 339.399 1.317 10 0 EDAERN CN[C@H](C(=O)NC[C@H](C)N1CCc2ccccc21)c1cnn(C)c1 ZINC000262335178 536382806 /nfs/dbraw/zinc/38/28/06/536382806.db2.gz HELCXSXIKYMDTF-GUYCJALGSA-N 0 0 327.432 1.248 10 0 EDAERN COCC(=O)NC1CN(C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000188265785 536770026 /nfs/dbraw/zinc/77/00/26/536770026.db2.gz OYVHSMXWCAOXMT-UHFFFAOYSA-N 0 0 345.321 1.362 10 0 EDAERN COc1ccc(O[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC000225439630 536858404 /nfs/dbraw/zinc/85/84/04/536858404.db2.gz TZOINBVLOVZIEC-GFCCVEGCSA-N 0 0 331.376 1.129 10 0 EDAERN CCC1CCN(S(=O)(=O)c2ccccc2S(N)(=O)=O)CC1 ZINC000048909054 537708596 /nfs/dbraw/zinc/70/85/96/537708596.db2.gz UQFCDADYTLUFFP-UHFFFAOYSA-N 0 0 332.447 1.145 10 0 EDAERN Cn1nccc1[C@@H]1[C@@H](C(=O)NC2CC(F)(F)C2)CCC(=O)N1C ZINC000888076305 590930340 /nfs/dbraw/zinc/93/03/40/590930340.db2.gz WTXWXURCLWZRJC-GWCFXTLKSA-N 0 0 326.347 1.244 10 0 EDAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC000888093084 591022789 /nfs/dbraw/zinc/02/27/89/591022789.db2.gz LMPVEFWEDYSBHE-ZDUSSCGKSA-N 0 0 327.388 1.183 10 0 EDAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cc(C3CC3)n(C)n2)cn1 ZINC000888095012 591025342 /nfs/dbraw/zinc/02/53/42/591025342.db2.gz JTEOJCUTUWDXCL-XJKSGUPXSA-N 0 0 329.404 1.761 10 0 EDAERN CN1C(=O)N=NC1C[C@H]1CCCC[C@H]1NC(=O)CC1CCOCC1 ZINC000888095361 591026079 /nfs/dbraw/zinc/02/60/79/591026079.db2.gz XLPSLPMREKXUKF-ZIAGYGMSSA-N 0 0 336.436 1.555 10 0 EDAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2ncnc3c2CN(C)CC3)C1 ZINC000888103022 591031126 /nfs/dbraw/zinc/03/11/26/591031126.db2.gz ZVJWLHBPIISVDR-CJNGLKHVSA-N 0 0 342.447 1.771 10 0 EDAERN C[C@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)c1cc2n(n1)CCCC2 ZINC000898389338 591338980 /nfs/dbraw/zinc/33/89/80/591338980.db2.gz VQVZTQDLYLCTBZ-JJRVBVJISA-N 0 0 343.431 1.698 10 0 EDAERN CCn1cnnc1[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)CCO1 ZINC000897472284 591475537 /nfs/dbraw/zinc/47/55/37/591475537.db2.gz VDURWVMADLNHNJ-GFCCVEGCSA-N 0 0 344.350 1.527 10 0 EDAERN C[C@H](NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1cc(=O)[nH][nH]1 ZINC000898867934 591574098 /nfs/dbraw/zinc/57/40/98/591574098.db2.gz CNMJARANHAECFL-GXSJLCMTSA-N 0 0 340.449 1.630 10 0 EDAERN CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2F)CCN1C[C@H](C)O ZINC000897303681 591821879 /nfs/dbraw/zinc/82/18/79/591821879.db2.gz ROJJFRXRLFFRLA-NWDGAFQWSA-N 0 0 334.395 1.619 10 0 EDAERN COc1ncccc1C(=O)NC[C@@H]1CCCO[C@H]1c1nccn1C ZINC000858008667 595684571 /nfs/dbraw/zinc/68/45/71/595684571.db2.gz ULSBKNFITVTPTI-GXTWGEPZSA-N 0 0 330.388 1.721 10 0 EDAERN Cc1cnn(C[C@H]2CN(Cn3nc(C(C)(C)C)ccc3=O)CCO2)c1 ZINC000112071402 596016802 /nfs/dbraw/zinc/01/68/02/596016802.db2.gz PWSYDVRLKNJXPU-OAHLLOKOSA-N 0 0 345.447 1.404 10 0 EDAERN Cc1noc(C)c1CC(=O)N1CC[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864842380 596383804 /nfs/dbraw/zinc/38/38/04/596383804.db2.gz HEJDIMKDWBRWMQ-GFCCVEGCSA-N 0 0 345.403 1.412 10 0 EDAERN C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)O1 ZINC000120549962 596568024 /nfs/dbraw/zinc/56/80/24/596568024.db2.gz MFCVFKLUGRRCRM-ZOBORPQBSA-N 0 0 325.430 1.967 10 0 EDAERN C[C@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1cccc(Cl)c1 ZINC000126620883 597542166 /nfs/dbraw/zinc/54/21/66/597542166.db2.gz YAZFBXNLYZBSDW-GWCFXTLKSA-N 0 0 330.837 1.294 10 0 EDAERN CC[C@@H]1CN(CN2C(=O)C(=O)c3cccc(F)c32)CCN1CCOC ZINC000132628858 597871590 /nfs/dbraw/zinc/87/15/90/597871590.db2.gz ZDXNAOYAZYLAGD-CYBMUJFWSA-N 0 0 349.406 1.355 10 0 EDAERN CCC[C@H]([NH2+]CC(=O)NCCOc1cccc(Cl)c1)C(=O)[O-] ZINC000185049116 698855569 /nfs/dbraw/zinc/85/55/69/698855569.db2.gz DZTPKGXMYLJWTC-ZDUSSCGKSA-N 0 0 328.796 1.678 10 0 EDAERN CCCNc1cc(C(=O)NCCCS(C)(=O)=O)cc(Cl)n1 ZINC000050776770 214069771 /nfs/dbraw/zinc/06/97/71/214069771.db2.gz MXPWIEJBPIEZPH-UHFFFAOYSA-N 0 0 333.841 1.721 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000175884073 282103751 /nfs/dbraw/zinc/10/37/51/282103751.db2.gz LWWQJLGVRCSUJW-CQSZACIVSA-N 0 0 343.435 1.744 10 0 EDAERN CCCc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)CCC)s1 ZINC000052585489 214135670 /nfs/dbraw/zinc/13/56/70/214135670.db2.gz WIGOTGODDZWTTC-JTQLQIEISA-N 0 0 346.478 1.633 10 0 EDAERN Nc1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H]2CCCO)c1 ZINC000052759475 214143230 /nfs/dbraw/zinc/14/32/30/214143230.db2.gz KTSXNLSOTLCVER-SNVBAGLBSA-N 0 0 336.816 1.987 10 0 EDAERN C[C@H](NC(=O)CN1CCCS1(=O)=O)c1ccc(F)c(Cl)c1 ZINC000097680469 219047728 /nfs/dbraw/zinc/04/77/28/219047728.db2.gz RHBCZMPHZYMKHB-VIFPVBQESA-N 0 0 334.800 1.692 10 0 EDAERN CCc1nc2sc(C(=O)N3CC[C@@H](C(N)=O)C3)c(C)c2c(C)n1 ZINC000053893922 214203708 /nfs/dbraw/zinc/20/37/08/214203708.db2.gz KNSCTLHPWXYQII-SNVBAGLBSA-N 0 0 332.429 1.818 10 0 EDAERN C[C@H](CNC(=O)c1ccc(I)cc1)C(N)=S ZINC000054153961 214220534 /nfs/dbraw/zinc/22/05/34/214220534.db2.gz VCFSBNCJVYHPPS-SSDOTTSWSA-N 0 0 348.209 1.943 10 0 EDAERN NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000173015408 230863815 /nfs/dbraw/zinc/86/38/15/230863815.db2.gz IBXRVXLCUDHBNY-BCFZYGEVSA-N 0 0 347.459 1.185 10 0 EDAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCCNS(C)(=O)=O)o1 ZINC000173481378 230950139 /nfs/dbraw/zinc/95/01/39/230950139.db2.gz GPRAIFAUZCEFDF-LBPRGKRZSA-N 0 0 329.422 1.374 10 0 EDAERN CSCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 ZINC000055252845 214296171 /nfs/dbraw/zinc/29/61/71/214296171.db2.gz OKNGAFCDISHLBT-ZDUSSCGKSA-N 0 0 341.502 1.308 10 0 EDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(C)ccc3F)CCO2)[nH]1 ZINC000173733686 231018134 /nfs/dbraw/zinc/01/81/34/231018134.db2.gz OPOOULSFPCEPEL-GFCCVEGCSA-N 0 0 340.380 1.323 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1CCCCCC1=O ZINC000055450948 214324454 /nfs/dbraw/zinc/32/44/54/214324454.db2.gz CMEZXVGCLWBTFV-KKUMJFAQSA-N 0 0 336.432 1.722 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000174830933 231320005 /nfs/dbraw/zinc/32/00/05/231320005.db2.gz QLXKXPGPJNOURQ-SMDDNHRTSA-N 0 0 338.367 1.797 10 0 EDAERN CC[C@@]1(C)C(=O)N[C@@H](C)C(=O)N1Cc1cncc(Br)c1 ZINC000168879811 529521680 /nfs/dbraw/zinc/52/16/80/529521680.db2.gz BZEZUEUGFLUJEP-XPTSAGLGSA-N 0 0 340.221 1.860 10 0 EDAERN CCc1cccc(NC(=O)CNC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177362484 529537618 /nfs/dbraw/zinc/53/76/18/529537618.db2.gz PRXNJQBIQKIUQK-CQSZACIVSA-N 0 0 342.403 1.613 10 0 EDAERN CCn1nc(C)c(Br)c1CC(=O)[C@@H](C)S(C)(=O)=O ZINC000166882999 529599554 /nfs/dbraw/zinc/59/95/54/529599554.db2.gz PCESGLHHJYJCBV-MRVPVSSYSA-N 0 0 337.239 1.519 10 0 EDAERN CCOc1ccc([C@H]2c3c(=O)[nH][nH]c3C[C@](C)(O)[C@@H]2C(=O)OC)cc1 ZINC000004632253 210235781 /nfs/dbraw/zinc/23/57/81/210235781.db2.gz JFJIGPZKTYYUGM-YEWWUXTCSA-N 0 0 346.383 1.742 10 0 EDAERN CCc1nnc([C@@H]2CN(c3ncc(C(N)=O)cc3Cl)CCO2)[nH]1 ZINC000131661151 529700817 /nfs/dbraw/zinc/70/08/17/529700817.db2.gz CFQFQDCTDOMACW-JTQLQIEISA-N 0 0 336.783 1.092 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CSCCS1 ZINC000176585298 231687097 /nfs/dbraw/zinc/68/70/97/231687097.db2.gz JYCFUWCADGGUBO-GHMZBOCLSA-N 0 0 327.479 1.569 10 0 EDAERN C[C@H](Sc1n[nH]c(=O)n1C)C(=O)Nc1cc(Cl)ccc1N ZINC000061592421 214667066 /nfs/dbraw/zinc/66/70/66/214667066.db2.gz QQRJXLVBDIDEJV-LURJTMIESA-N 0 0 327.797 1.463 10 0 EDAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCOC3(CCCC3)C1)CC2 ZINC000152452084 529751411 /nfs/dbraw/zinc/75/14/11/529751411.db2.gz AKLWUNIQZUMZMS-UONOGXRCSA-N 0 0 347.463 1.946 10 0 EDAERN COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)CO)cc1Cl ZINC000062159258 214703279 /nfs/dbraw/zinc/70/32/79/214703279.db2.gz HYLXQXYAAHWQFW-SECBINFHSA-N 0 0 335.809 1.009 10 0 EDAERN CC[C@H](C)NC(=O)NCCS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000062220107 214705295 /nfs/dbraw/zinc/70/52/95/214705295.db2.gz SODWLXGTOGPODV-NSHDSACASA-N 0 0 344.433 1.575 10 0 EDAERN CS(=O)(=O)CCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000062269549 214707959 /nfs/dbraw/zinc/70/79/59/214707959.db2.gz YPHCMTCKCZCZKI-GFCCVEGCSA-N 0 0 325.386 1.166 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1)C(=O)N(C)C ZINC000173976922 299101001 /nfs/dbraw/zinc/10/10/01/299101001.db2.gz WFXAUMRQWSZTNY-BPUTZDHNSA-N 0 0 333.432 1.761 10 0 EDAERN CC(C)c1ccc(N2CCN(CC(=O)NCCOCCO)C2=O)cc1 ZINC000049403638 214006184 /nfs/dbraw/zinc/00/61/84/214006184.db2.gz SVBMZQZXBXLSCE-UHFFFAOYSA-N 0 0 349.431 1.177 10 0 EDAERN O=C([O-])c1c2sccn2c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000100778328 219106632 /nfs/dbraw/zinc/10/66/32/219106632.db2.gz LJWAKCLLEGXTCW-UHFFFAOYSA-N 0 0 347.371 1.761 10 0 EDAERN C[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)N(C)c1ccccc1 ZINC000177355414 231868623 /nfs/dbraw/zinc/86/86/23/231868623.db2.gz YXIYPFKAOBQFES-HIFRSBDPSA-N 0 0 328.420 1.937 10 0 EDAERN CN(CCNC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173793556 529914036 /nfs/dbraw/zinc/91/40/36/529914036.db2.gz XHJXMMWIZMZINP-KRWDZBQOSA-N 0 0 332.448 1.239 10 0 EDAERN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000190777814 529924954 /nfs/dbraw/zinc/92/49/54/529924954.db2.gz BOZMTSXDGLGFHV-JTQLQIEISA-N 0 0 330.306 1.679 10 0 EDAERN Cn1cc(Br)c(Cn2cc(Br)c(N)n2)n1 ZINC000725249702 539386014 /nfs/dbraw/zinc/38/60/14/539386014.db2.gz AMGQUOANDLLXTE-UHFFFAOYSA-N 0 0 335.003 1.772 10 0 EDAERN CS(=O)(=O)c1cnn(Cc2ccc(N)cc2Br)c1 ZINC000725252934 539389552 /nfs/dbraw/zinc/38/95/52/539389552.db2.gz POHDVIRWWKOHHE-UHFFFAOYSA-N 0 0 330.207 1.680 10 0 EDAERN CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(NC(=O)c2ccco2)c1=O ZINC000004258942 210153564 /nfs/dbraw/zinc/15/35/64/210153564.db2.gz ACNBUILLCXTCPT-QWHCGFSZSA-N 0 0 341.367 1.659 10 0 EDAERN CNS(=O)(=O)c1cccc(NC(=O)c2cnccc2Cl)c1 ZINC000169259314 530035419 /nfs/dbraw/zinc/03/54/19/530035419.db2.gz QSWVEYUOMFBYTF-UHFFFAOYSA-N 0 0 325.777 1.895 10 0 EDAERN CN(c1cccnn1)C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000171557543 530037420 /nfs/dbraw/zinc/03/74/20/530037420.db2.gz OAHVSLTXZJRWSB-UHFFFAOYSA-N 0 0 345.447 1.306 10 0 EDAERN CN1C(=O)C[C@H](NCc2ccc(Br)cc2Cl)C1=O ZINC000168097375 530045207 /nfs/dbraw/zinc/04/52/07/530045207.db2.gz NURWYXVMVNSPCG-JTQLQIEISA-N 0 0 331.597 1.949 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1C(C)C ZINC000177982871 232049048 /nfs/dbraw/zinc/04/90/48/232049048.db2.gz WHTYGXREQKFVFT-AWEZNQCLSA-N 0 0 344.419 1.599 10 0 EDAERN Cc1ccc(N2CCCN(CCS(=O)(=O)C(C)C)CC2)nn1 ZINC000178222433 232112181 /nfs/dbraw/zinc/11/21/81/232112181.db2.gz KJNZITCLWFHYTQ-UHFFFAOYSA-N 0 0 326.466 1.120 10 0 EDAERN CCOc1ccccc1C(=O)N[C@@H](CO)[C@H](O)c1ccc(N)cc1 ZINC000066142509 215016520 /nfs/dbraw/zinc/01/65/20/215016520.db2.gz PXHAHDOABNEUQW-DOTOQJQBSA-N 0 0 330.384 1.492 10 0 EDAERN CC(=O)Nc1ccc(NCC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000066190669 215020293 /nfs/dbraw/zinc/02/02/93/215020293.db2.gz RRSBFYCKZJEYIM-UHFFFAOYSA-N 0 0 326.356 1.795 10 0 EDAERN Cc1ccc2c(c1)c(=O)n(-c1ccc(F)cc1F)c(=O)n2CC(N)=O ZINC000096279020 539559782 /nfs/dbraw/zinc/55/97/82/539559782.db2.gz CJOKOTWPZGEKDZ-UHFFFAOYSA-N 0 0 345.305 1.224 10 0 EDAERN COc1cccc2c1OC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C2 ZINC000102920774 219241824 /nfs/dbraw/zinc/24/18/24/219241824.db2.gz WOXNUONIKWAUOI-DGCLKSJQSA-N 0 0 344.367 1.526 10 0 EDAERN Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)c(Br)c1 ZINC000042433783 213505808 /nfs/dbraw/zinc/50/58/08/213505808.db2.gz RHNKMDSHUNTGKH-VIFPVBQESA-N 0 0 335.223 1.177 10 0 EDAERN CN1CCO[C@@H](CNC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000248442308 539687808 /nfs/dbraw/zinc/68/78/08/539687808.db2.gz FAJBLXOLXPIHAI-CVEARBPZSA-N 0 0 337.395 1.319 10 0 EDAERN COC[C@H](C)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000103379563 219295407 /nfs/dbraw/zinc/29/54/07/219295407.db2.gz KFMYHICSNSRWKH-ZDUSSCGKSA-N 0 0 340.383 1.765 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000103386110 219296053 /nfs/dbraw/zinc/29/60/53/219296053.db2.gz JYTPBMCTAAAJCT-ZDUSSCGKSA-N 0 0 342.461 1.614 10 0 EDAERN CN(C(=O)[C@H](c1ccc(F)cc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000041320239 213439110 /nfs/dbraw/zinc/43/91/10/213439110.db2.gz QYPULEHFRRLIBH-CABCVRRESA-N 0 0 325.405 1.965 10 0 EDAERN O=C(NCCCc1ccccc1)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000104040616 219341592 /nfs/dbraw/zinc/34/15/92/219341592.db2.gz YEQQESLBPMOVSP-SJORKVTESA-N 0 0 330.428 1.905 10 0 EDAERN CCCN[C@@](C)(C[C@H](C)SCCS(C)(=O)=O)C(=O)OCC ZINC000068643639 215324927 /nfs/dbraw/zinc/32/49/27/215324927.db2.gz UNCUFKQHNFZLDW-JSGCOSHPSA-N 0 0 339.523 1.864 10 0 EDAERN CNC(=O)CCCN1c2ccc(Br)cc2C(=O)C1=O ZINC000068819072 215336717 /nfs/dbraw/zinc/33/67/17/215336717.db2.gz JZZKXTHFNJXPFL-UHFFFAOYSA-N 0 0 325.162 1.505 10 0 EDAERN Nc1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)cc(Cl)c1Cl ZINC000069140180 215363759 /nfs/dbraw/zinc/36/37/59/215363759.db2.gz AJDMTXIOMQVWTR-QMMMGPOBSA-N 0 0 337.228 1.883 10 0 EDAERN Nc1cc(Cl)ccc1-c1nnnn1[C@@H]1CCCS(=O)(=O)C1 ZINC000069146032 215364802 /nfs/dbraw/zinc/36/48/02/215364802.db2.gz IRPUERZXVHSWTO-SECBINFHSA-N 0 0 327.797 1.325 10 0 EDAERN CCCC(=O)Nc1cccc(CNC(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000156003662 539935047 /nfs/dbraw/zinc/93/50/47/539935047.db2.gz YYVKECFUOHFTRG-HNNXBMFYSA-N 0 0 346.431 1.845 10 0 EDAERN COC1(CNC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)CCC1 ZINC000181817132 234335222 /nfs/dbraw/zinc/33/52/22/234335222.db2.gz FEFXSFPQNQJQIO-AWEZNQCLSA-N 0 0 333.436 1.656 10 0 EDAERN CCn1c(=O)c(-c2ccccc2)cc2cnc(S(C)(=O)=O)nc21 ZINC000038961371 213230524 /nfs/dbraw/zinc/23/05/24/213230524.db2.gz VZRSUDPBMFMEEH-UHFFFAOYSA-N 0 0 329.381 1.882 10 0 EDAERN O=c1/c(=C\c2ccc(Cl)cc2)sc2n1NC1(CCCCC1)NN=2 ZINC000000573222 209669724 /nfs/dbraw/zinc/66/97/24/209669724.db2.gz HDHVIJKTWGZIFH-JLHYYAGUSA-N 0 0 348.859 1.734 10 0 EDAERN Cn1cc(CN2CCCN(C(=O)CCc3ccc(O)cc3)CC2)cn1 ZINC000183577382 235146810 /nfs/dbraw/zinc/14/68/10/235146810.db2.gz LODJFGVJODXJMU-UHFFFAOYSA-N 0 0 342.443 1.793 10 0 EDAERN CC(=O)NC1CN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000189250353 540163630 /nfs/dbraw/zinc/16/36/30/540163630.db2.gz CAKOOMPVNCKTAC-UHFFFAOYSA-N 0 0 329.322 1.778 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)N[C@H]2CCN(C)C(=O)C2)[C@H]1c1ccc(F)cc1 ZINC000194182140 540185074 /nfs/dbraw/zinc/18/50/74/540185074.db2.gz WCAIJJLNZGFALK-JJRVBVJISA-N 0 0 347.390 1.082 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000193541673 540182980 /nfs/dbraw/zinc/18/29/80/540182980.db2.gz LEDACDMTEFXNDZ-BPLDGKMQSA-N 0 0 332.400 1.387 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000193802340 540183642 /nfs/dbraw/zinc/18/36/42/540183642.db2.gz AQCUQHPBBYAKQZ-KBAYOESNSA-N 0 0 330.428 1.601 10 0 EDAERN O=C1c2cccc3c(O)ccc(c32)C(=O)N1CCCN1CCOCC1 ZINC000038249282 213206296 /nfs/dbraw/zinc/20/62/96/213206296.db2.gz VODJOFZWABRAIL-UHFFFAOYSA-N 0 0 340.379 1.864 10 0 EDAERN CCNC(=O)NC(=O)[C@@H](C)NCc1cc(F)ccc1Br ZINC000038039310 213195843 /nfs/dbraw/zinc/19/58/43/213195843.db2.gz DIIZFMQTSNCASZ-MRVPVSSYSA-N 0 0 346.200 1.912 10 0 EDAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000185220297 235617222 /nfs/dbraw/zinc/61/72/22/235617222.db2.gz DYUJJYOBGPHJQS-SJORKVTESA-N 0 0 330.428 1.887 10 0 EDAERN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C(N)=O)cc2)cc1 ZINC000000508426 209641158 /nfs/dbraw/zinc/64/11/58/209641158.db2.gz NGZCUPRXBFDNGB-UHFFFAOYSA-N 0 0 343.408 1.986 10 0 EDAERN O=C(CCNC(=O)NC[C@H]1CCCC[C@H]1O)NC1CCCCC1 ZINC000077783855 138255068 /nfs/dbraw/zinc/25/50/68/138255068.db2.gz ZHGJVAWHUZNQBI-UKRRQHHQSA-N 0 0 325.453 1.676 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1cc(Br)cs1 ZINC000091778790 138284864 /nfs/dbraw/zinc/28/48/64/138284864.db2.gz WZBHZHGQFSXFCZ-JTQLQIEISA-N 0 0 347.234 1.156 10 0 EDAERN O=C(COc1cccc2ccccc21)NC(=S)N1CCOCC1 ZINC000000503024 209637905 /nfs/dbraw/zinc/63/79/05/209637905.db2.gz POKGBFMODNVCLN-UHFFFAOYSA-N 0 0 330.409 1.952 10 0 EDAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000103763083 138299391 /nfs/dbraw/zinc/29/93/91/138299391.db2.gz GYXGBQFDYLFXSA-ZIAGYGMSSA-N 0 0 330.388 1.044 10 0 EDAERN CC(C)CCC(=O)NCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118675103 138312741 /nfs/dbraw/zinc/31/27/41/138312741.db2.gz NQWPPZXOFXGYOJ-CQSZACIVSA-N 0 0 333.436 1.114 10 0 EDAERN C[C@@H]1CN(C(=O)CSCC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000120577144 138316041 /nfs/dbraw/zinc/31/60/41/138316041.db2.gz KTYQWSXWACNSJL-MNOVXSKESA-N 0 0 326.384 1.461 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(COC)c1)CC2 ZINC000114926220 138310931 /nfs/dbraw/zinc/31/09/31/138310931.db2.gz VDEZVZKTXDRZEP-HNNXBMFYSA-N 0 0 343.431 1.801 10 0 EDAERN CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(F)c(F)c2)C1=O ZINC000123648545 138320261 /nfs/dbraw/zinc/32/02/61/138320261.db2.gz RFYFXTPDEHJNRN-JDNHERCYSA-N 0 0 339.342 1.863 10 0 EDAERN CC[C@H]1CN(C(=O)CSCc2cscn2)CCN1C[C@@H](C)O ZINC000124133991 138324120 /nfs/dbraw/zinc/32/41/20/138324120.db2.gz PFTJJBDSWAMDHD-OCCSQVGLSA-N 0 0 343.518 1.680 10 0 EDAERN Cc1c(CCC(=O)N2CCCN(c3cccnn3)CC2)cnn1C ZINC000130644272 138344040 /nfs/dbraw/zinc/34/40/40/138344040.db2.gz UHWFRKZZUFPSHU-UHFFFAOYSA-N 0 0 328.420 1.190 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCC(C)(C)c3ccncc3)CCO2)[nH]1 ZINC000130238114 138340365 /nfs/dbraw/zinc/34/03/65/138340365.db2.gz XONHJWPEQMRAPC-AWEZNQCLSA-N 0 0 344.419 1.569 10 0 EDAERN Cc1nc(CN2CCCN(C(=O)c3ccc4[nH]cnc4c3)CC2)no1 ZINC000131194474 138353988 /nfs/dbraw/zinc/35/39/88/138353988.db2.gz HZUZYPWVDPMVLD-UHFFFAOYSA-N 0 0 340.387 1.602 10 0 EDAERN C[C@H](NC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)[C@H]1CCCO1 ZINC000133159429 138389539 /nfs/dbraw/zinc/38/95/39/138389539.db2.gz QOUWVRCXPCPSAO-XQLPTFJDSA-N 0 0 336.436 1.443 10 0 EDAERN Nc1cccc(SCCS(=O)(=O)NCc2cscn2)c1 ZINC000070216914 215683492 /nfs/dbraw/zinc/68/34/92/215683492.db2.gz SLDYHDZFTIKBCE-UHFFFAOYSA-N 0 0 329.472 1.937 10 0 EDAERN Cc1ccc(C(N)=S)cc1S(=O)(=O)N1CCC[C@H](CO)C1 ZINC000070431493 215690008 /nfs/dbraw/zinc/69/00/08/215690008.db2.gz JLOXAZWSUUXESO-NSHDSACASA-N 0 0 328.459 1.022 10 0 EDAERN O=S(=O)(C1=Cc2ccccc2OC1)N1CCC[C@@H](n2cncn2)C1 ZINC000187917276 236341072 /nfs/dbraw/zinc/34/10/72/236341072.db2.gz RHIPHYFDLAPWMT-CQSZACIVSA-N 0 0 346.412 1.678 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000187924600 236343068 /nfs/dbraw/zinc/34/30/68/236343068.db2.gz RPEFDPVOBIVAIS-UHFFFAOYSA-N 0 0 348.346 1.605 10 0 EDAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)cc2Cl)C1)C1CC1 ZINC000187925259 236343325 /nfs/dbraw/zinc/34/33/25/236343325.db2.gz YCPVLOMAFUBBFO-UHFFFAOYSA-N 0 0 332.784 1.378 10 0 EDAERN O=C(NC1CN(C[C@H](O)COCc2ccc(Cl)cc2)C1)C1CC1 ZINC000187979732 236369051 /nfs/dbraw/zinc/36/90/51/236369051.db2.gz ZBJJVUGOPDXJFZ-INIZCTEOSA-N 0 0 338.835 1.428 10 0 EDAERN O=C(CNCC(=O)NC1CC1)Nc1ccc(Br)cc1 ZINC000035142578 213009746 /nfs/dbraw/zinc/00/97/46/213009746.db2.gz JSPIIJLWULBUEF-UHFFFAOYSA-N 0 0 326.194 1.256 10 0 EDAERN CC[C@H](CCO)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172597459 138665892 /nfs/dbraw/zinc/66/58/92/138665892.db2.gz UFSQEHPRCUTNJW-DGCLKSJQSA-N 0 0 328.434 1.611 10 0 EDAERN COc1ccc(O[C@@H](C)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000175122312 138691856 /nfs/dbraw/zinc/69/18/56/138691856.db2.gz GGGOEJKTULHKLW-STQMWFEESA-N 0 0 345.403 1.368 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000177134014 138723723 /nfs/dbraw/zinc/72/37/23/138723723.db2.gz OZEGHTBPDCQEGC-SECBINFHSA-N 0 0 342.754 1.829 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ncccc1C(F)(F)F)CC2 ZINC000180253480 138757942 /nfs/dbraw/zinc/75/79/42/138757942.db2.gz LTPIJOLSYQJNON-VIFPVBQESA-N 0 0 339.321 1.999 10 0 EDAERN Cc1nc2sc3c(c2c(N2CCOC[C@@H]2C(N)=O)n1)CCCCC3 ZINC000182031577 138773386 /nfs/dbraw/zinc/77/33/86/138773386.db2.gz KJJYZKQNTCYJQN-GFCCVEGCSA-N 0 0 346.456 1.959 10 0 EDAERN NC(=O)c1cccnc1N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000072163960 216053056 /nfs/dbraw/zinc/05/30/56/216053056.db2.gz XHXFEOMDMILNHI-OAHLLOKOSA-N 0 0 338.411 1.826 10 0 EDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC(N)=S ZINC000037244568 213136180 /nfs/dbraw/zinc/13/61/80/213136180.db2.gz JDVRYLMOLNYRLH-UHFFFAOYSA-N 0 0 344.234 1.407 10 0 EDAERN O=S1(=O)C[C@H](O)[C@H](Oc2ccc(Br)cc2Cl)C1 ZINC000037695025 213162672 /nfs/dbraw/zinc/16/26/72/213162672.db2.gz CFCISKJSJOYESR-WCBMZHEXSA-N 0 0 341.610 1.639 10 0 EDAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2cc(F)ccc2F)n1 ZINC000185071514 138800696 /nfs/dbraw/zinc/80/06/96/138800696.db2.gz MMJSIXKLXSHBHR-CYBMUJFWSA-N 0 0 338.314 1.668 10 0 EDAERN O=C([O-])[C@@]12CNC(=O)[C@@H]1C[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000072412507 216205191 /nfs/dbraw/zinc/20/51/91/216205191.db2.gz YSAQNPVPUFWCBW-SMDDNHRTSA-N 0 0 328.290 1.338 10 0 EDAERN CN(Cc1ccc(Br)o1)S(=O)(=O)c1ccc(=O)[nH]c1 ZINC000037840706 213169393 /nfs/dbraw/zinc/16/93/93/213169393.db2.gz VHLPZIRKXIXFGE-UHFFFAOYSA-N 0 0 347.190 1.551 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2ccc(F)c(CSC)c2)C1 ZINC000185234222 138802862 /nfs/dbraw/zinc/80/28/62/138802862.db2.gz TXMDIOQXEZNKQV-UHFFFAOYSA-N 0 0 326.393 1.276 10 0 EDAERN Cc1cc(NCc2ccc(S(=O)(=O)N(C)C)cc2)n2nccc2n1 ZINC000072429827 216221581 /nfs/dbraw/zinc/22/15/81/216221581.db2.gz SSOMFWRDPWOLGN-UHFFFAOYSA-N 0 0 345.428 1.900 10 0 EDAERN CC(C)[C@H](O)CC(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000185394830 138804618 /nfs/dbraw/zinc/80/46/18/138804618.db2.gz JYMBKLMAZLMIFM-CQSZACIVSA-N 0 0 326.418 1.354 10 0 EDAERN COCc1n[nH]c(-n2ccc3c(C(=O)OC)c(C)nc(C)c3c2=O)n1 ZINC000072452166 216239613 /nfs/dbraw/zinc/23/96/13/216239613.db2.gz LHGZGZFUUGJTIA-UHFFFAOYSA-N 0 0 343.343 1.054 10 0 EDAERN Cn1ccc2c(cnc3nc(-c4ccc5c(c4)OCCO5)nn32)c1=O ZINC000072472021 216250126 /nfs/dbraw/zinc/25/01/26/216250126.db2.gz YYPBGTPKYUSHQQ-UHFFFAOYSA-N 0 0 335.323 1.414 10 0 EDAERN CN(C)C(=O)c1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccn1 ZINC000129872857 223099197 /nfs/dbraw/zinc/09/91/97/223099197.db2.gz SJPZHNJJNGSXOS-FZKQIMNGSA-N 0 0 346.431 1.942 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)c2c(C)nn(C)c2OC)C12CCOCC2 ZINC000187069136 138822843 /nfs/dbraw/zinc/82/28/43/138822843.db2.gz IJKDDFUIGRROPS-CHWSQXEVSA-N 0 0 337.420 1.441 10 0 EDAERN C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCNC(=O)C1 ZINC000072863701 216321585 /nfs/dbraw/zinc/32/15/85/216321585.db2.gz BRPPEOARTYEXRL-HNNXBMFYSA-N 0 0 329.444 1.288 10 0 EDAERN Cc1[nH]c(=O)c(C(=O)N2CCCNC(=O)[C@H]2C)cc1Br ZINC000188072286 138831301 /nfs/dbraw/zinc/83/13/01/138831301.db2.gz TTWAGJNPJNTULA-MRVPVSSYSA-N 0 0 342.193 1.209 10 0 EDAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000074187640 299335367 /nfs/dbraw/zinc/33/53/67/299335367.db2.gz MPOKFJJBBBHIPY-QEJZJMRPSA-N 0 0 340.445 1.039 10 0 EDAERN CS(=O)(=O)CCOc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC000038085763 213201516 /nfs/dbraw/zinc/20/15/16/213201516.db2.gz PQNGXLZXCPPREJ-UHFFFAOYSA-N 0 0 348.229 1.064 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000189246814 138865081 /nfs/dbraw/zinc/86/50/81/138865081.db2.gz CJATXXNBTJIRIA-CYBMUJFWSA-N 0 0 334.391 1.611 10 0 EDAERN Cn1cc([C@@H]2CCN(C(=O)NC[C@H]3CSCCS3)C2)cn1 ZINC000132389041 223326125 /nfs/dbraw/zinc/32/61/25/223326125.db2.gz FKBDXQSULCWDGF-YPMHNXCESA-N 0 0 326.491 1.768 10 0 EDAERN O=C(NC1CN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C1)C1CC1 ZINC000189450846 138873984 /nfs/dbraw/zinc/87/39/84/138873984.db2.gz DZYSZKPWZLLFDU-UHFFFAOYSA-N 0 0 342.424 1.512 10 0 EDAERN Nc1cc(Cl)c(NC(=O)CCN2C(=O)CNC2=O)c(Cl)c1 ZINC000021793433 212249895 /nfs/dbraw/zinc/24/98/95/212249895.db2.gz FCXGTQZUNDHNRL-UHFFFAOYSA-N 0 0 331.159 1.456 10 0 EDAERN COc1cccc(C(=O)Nc2cnc(-n3cccn3)nc2)c1OC ZINC000224242584 241742372 /nfs/dbraw/zinc/74/23/72/241742372.db2.gz FIHOMEALAMIXBK-UHFFFAOYSA-N 0 0 325.328 1.932 10 0 EDAERN O=C(N[C@@H]1CCSC1=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000021450112 212224635 /nfs/dbraw/zinc/22/46/35/212224635.db2.gz QLEOJZGHUIKRGP-BXKDBHETSA-N 0 0 338.816 1.841 10 0 EDAERN CCCn1nccc1NC(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000190113798 138885452 /nfs/dbraw/zinc/88/54/52/138885452.db2.gz VSLQNTXSJAGSPC-RYUDHWBXSA-N 0 0 334.380 1.978 10 0 EDAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC(c3cc[nH]n3)CC1)CS2 ZINC000125469458 291435649 /nfs/dbraw/zinc/43/56/49/291435649.db2.gz AATZZQNKJIYIBH-CJNGLKHVSA-N 0 0 334.445 1.570 10 0 EDAERN Nc1cc(Br)ccc1NS(=O)(=O)N1CCOCC1 ZINC000020520979 212142271 /nfs/dbraw/zinc/14/22/71/212142271.db2.gz DRVDIBSBBDEYGE-UHFFFAOYSA-N 0 0 336.211 1.020 10 0 EDAERN CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191718334 138922096 /nfs/dbraw/zinc/92/20/96/138922096.db2.gz IEIIPTHTJMZHRU-UONOGXRCSA-N 0 0 337.424 1.030 10 0 EDAERN CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(CO)CC2)CC1 ZINC000253570622 244024489 /nfs/dbraw/zinc/02/44/89/244024489.db2.gz NVYVRNYMZYYARG-UHFFFAOYSA-N 0 0 327.425 1.363 10 0 EDAERN CCn1cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)cn1 ZINC000191767647 138923556 /nfs/dbraw/zinc/92/35/56/138923556.db2.gz HHFCEUNPKNQFBU-INIZCTEOSA-N 0 0 329.356 1.845 10 0 EDAERN C[C@H]1OCCC[C@@H]1C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000192264652 138941023 /nfs/dbraw/zinc/94/10/23/138941023.db2.gz ANIAJUOYQSAGCD-DOMZBBRYSA-N 0 0 343.387 1.137 10 0 EDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000566844600 306430059 /nfs/dbraw/zinc/43/00/59/306430059.db2.gz AVINOWUDNHMYKP-GHMZBOCLSA-N 0 0 343.836 1.507 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCc2cccnc2)C1 ZINC000192367908 138943124 /nfs/dbraw/zinc/94/31/24/138943124.db2.gz GKODQBRMXALFCJ-UONOGXRCSA-N 0 0 331.376 1.487 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000193133012 138962020 /nfs/dbraw/zinc/96/20/20/138962020.db2.gz QDRXGDKHVWNPPA-BXKDBHETSA-N 0 0 334.269 1.765 10 0 EDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cnn(C3CCCC3)c2C)c1 ZINC000193287091 138965710 /nfs/dbraw/zinc/96/57/10/138965710.db2.gz CNEQLOSNFYPFJP-UHFFFAOYSA-N 0 0 344.419 1.566 10 0 EDAERN CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c(C)c1 ZINC000077940123 217003424 /nfs/dbraw/zinc/00/34/24/217003424.db2.gz COIUHACTAMUBLR-CZUORRHYSA-N 0 0 334.416 2.000 10 0 EDAERN CCc1[nH]c(C(=O)N2CCN3CCCC[C@@H]3C2)c(C)c1C(=O)OC ZINC000195079330 139006552 /nfs/dbraw/zinc/00/65/52/139006552.db2.gz YHFULGGFDODFLO-CYBMUJFWSA-N 0 0 333.432 1.982 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cccc3c1OCO3)CC2 ZINC000195281354 139012253 /nfs/dbraw/zinc/01/22/53/139012253.db2.gz PKLMTSQOIUSBON-NSHDSACASA-N 0 0 328.372 1.875 10 0 EDAERN O=S(=O)(c1c[nH]c2cccc(F)c21)N1CCC[C@H](n2cncn2)C1 ZINC000195248516 139011387 /nfs/dbraw/zinc/01/13/87/139011387.db2.gz VSGYWZYKIFGJRJ-NSHDSACASA-N 0 0 349.391 1.924 10 0 EDAERN COc1cc(OC)c([N-]S(=O)(=O)C[C@H]2CCC[NH2+]2)cc1Cl ZINC000049641000 214023759 /nfs/dbraw/zinc/02/37/59/214023759.db2.gz WVMZTTLYFLSXQP-SECBINFHSA-N 0 0 334.825 1.851 10 0 EDAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195502024 139018385 /nfs/dbraw/zinc/01/83/85/139018385.db2.gz GWKCBHDHLCIFQF-ZDUSSCGKSA-N 0 0 335.452 1.470 10 0 EDAERN CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)C(N)=O ZINC000110306610 220029013 /nfs/dbraw/zinc/02/90/13/220029013.db2.gz WXGNOEFYYASXHY-ZDUSSCGKSA-N 0 0 344.408 1.248 10 0 EDAERN COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CNC(=O)C1 ZINC000110344414 220031463 /nfs/dbraw/zinc/03/14/63/220031463.db2.gz CDEKRIJTONOTQX-VIFPVBQESA-N 0 0 341.205 1.552 10 0 EDAERN O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)N1CCCCC1 ZINC000049388154 214004953 /nfs/dbraw/zinc/00/49/53/214004953.db2.gz FKNGEKPIPFJPLF-UHFFFAOYSA-N 0 0 331.372 1.670 10 0 EDAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195519790 139019491 /nfs/dbraw/zinc/01/94/91/139019491.db2.gz ASCZFZXFEUEOTI-HZSPNIEDSA-N 0 0 341.477 1.759 10 0 EDAERN CC(C)c1nnc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)o1 ZINC000049705738 214028067 /nfs/dbraw/zinc/02/80/67/214028067.db2.gz SJOUZLXYFAACGK-UHFFFAOYSA-N 0 0 346.362 1.930 10 0 EDAERN Cc1nc(C[C@@H]2CCCN(Cc3nnnn3-c3ccccc3)C2)no1 ZINC000195517931 139019160 /nfs/dbraw/zinc/01/91/60/139019160.db2.gz IFIODKLNUDDEKB-AWEZNQCLSA-N 0 0 339.403 1.808 10 0 EDAERN CCn1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1C(=O)[O-] ZINC000236955175 139036422 /nfs/dbraw/zinc/03/64/22/139036422.db2.gz VENCEVXDHZJUSY-UHFFFAOYSA-N 0 0 343.449 1.216 10 0 EDAERN CC(C)COc1ncccc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111082606 220097879 /nfs/dbraw/zinc/09/78/79/220097879.db2.gz JPRWWMYJQAFXLP-HNNXBMFYSA-N 0 0 344.415 1.854 10 0 EDAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)CCC(C)C)CC2)n1 ZINC000111344428 220142531 /nfs/dbraw/zinc/14/25/31/220142531.db2.gz WAJIGQVXRSLWFB-LBPRGKRZSA-N 0 0 330.454 1.433 10 0 EDAERN O=C(NCCCc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111792618 220191678 /nfs/dbraw/zinc/19/16/78/220191678.db2.gz AFUWPHCJWGEVSI-KRWDZBQOSA-N 0 0 328.416 1.926 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)COc3ccccc3F)CCO2)c1 ZINC000112063388 220236451 /nfs/dbraw/zinc/23/64/51/220236451.db2.gz GYORZRLYVJOJEF-CQSZACIVSA-N 0 0 333.363 1.637 10 0 EDAERN COCCN1CCN(S(=O)(=O)c2cc(C)ccc2Cl)C[C@@H]1C ZINC000245663905 139082338 /nfs/dbraw/zinc/08/23/38/139082338.db2.gz ALPZCMKJGQVZHO-ZDUSSCGKSA-N 0 0 346.880 1.990 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C(=O)NCCCCOC)CC2)n1 ZINC000112133804 220249064 /nfs/dbraw/zinc/24/90/64/220249064.db2.gz AEJQMNJSBILKAO-ZDUSSCGKSA-N 0 0 339.440 1.447 10 0 EDAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)cc(S(N)(=O)=O)c1Br ZINC000138046768 223703624 /nfs/dbraw/zinc/70/36/24/223703624.db2.gz REBQBCGCBJNBJV-MUWHJKNJSA-N 0 0 347.234 1.543 10 0 EDAERN CCc1nc(CCNC(=O)N[C@H]2CCCn3nc(C)nc32)cs1 ZINC000083717785 217553141 /nfs/dbraw/zinc/55/31/41/217553141.db2.gz UOPIOMCDCROURG-LBPRGKRZSA-N 0 0 334.449 1.982 10 0 EDAERN COc1cc(OC)cc(N2CC[C@H](N3C[C@@H](C)O[C@H](C)C3)C2=O)c1 ZINC000246178684 139097905 /nfs/dbraw/zinc/09/79/05/139097905.db2.gz JZEVRUYMVAFWMC-XNJGSVPQSA-N 0 0 334.416 1.918 10 0 EDAERN CC(C)[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 ZINC000246425979 139108027 /nfs/dbraw/zinc/10/80/27/139108027.db2.gz AUMHNNOSYWHWBT-MXWKQRLJSA-N 0 0 349.395 1.419 10 0 EDAERN Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246510982 139111454 /nfs/dbraw/zinc/11/14/54/139111454.db2.gz NWVRKWKETDEJCD-ZFWWWQNUSA-N 0 0 342.436 1.475 10 0 EDAERN COCCNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246622095 139115568 /nfs/dbraw/zinc/11/55/68/139115568.db2.gz AMRJMQMHLGCULC-QWHCGFSZSA-N 0 0 327.450 1.456 10 0 EDAERN C[C@H]1CN([C@H](CNC(=O)c2cnns2)c2cccs2)CCO1 ZINC000246706394 139118020 /nfs/dbraw/zinc/11/80/20/139118020.db2.gz FKGHJTYEYJTZAG-WDEREUQCSA-N 0 0 338.458 1.791 10 0 EDAERN CC[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)CC[N@@H+]1C[C@H](C)O ZINC000246885093 139125568 /nfs/dbraw/zinc/12/55/68/139125568.db2.gz ORWHZLIXABRTEH-SWLSCSKDSA-N 0 0 326.387 1.811 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000246995571 139130140 /nfs/dbraw/zinc/13/01/40/139130140.db2.gz BGMHQECVKYRQJN-ULQDDVLXSA-N 0 0 333.476 1.420 10 0 EDAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCCN(c2cccnn2)CC1 ZINC000247031305 139132252 /nfs/dbraw/zinc/13/22/52/139132252.db2.gz DELMNOORTOJDQI-BBWFWOEESA-N 0 0 345.491 1.882 10 0 EDAERN CCC[C@@H](C)CS(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247038476 139132767 /nfs/dbraw/zinc/13/27/67/139132767.db2.gz GODZOPLUGRVIAL-HIFRSBDPSA-N 0 0 329.466 1.658 10 0 EDAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000089355665 217788349 /nfs/dbraw/zinc/78/83/49/217788349.db2.gz KCDCAPGOROXCKA-RYUDHWBXSA-N 0 0 347.198 1.130 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N1C[C@H]2CCCN2C[C@H]1CC ZINC000247076767 139134488 /nfs/dbraw/zinc/13/44/88/139134488.db2.gz YXORBEJVZNDGIJ-HUUCEWRRSA-N 0 0 330.494 1.677 10 0 EDAERN C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2Cl)C[C@H]1C ZINC000247116118 139136082 /nfs/dbraw/zinc/13/60/82/139136082.db2.gz JFBIKJBFQQXDBM-QLFBSQMISA-N 0 0 342.867 1.467 10 0 EDAERN COCCN1CCN([C@H](C)C(=O)NCCc2cccs2)C[C@H]1C ZINC000247129876 139136855 /nfs/dbraw/zinc/13/68/55/139136855.db2.gz KGZKZCULIFNDBC-HUUCEWRRSA-N 0 0 339.505 1.448 10 0 EDAERN C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000247150799 139137632 /nfs/dbraw/zinc/13/76/32/139137632.db2.gz YODGUDAUSGKXBZ-XHBSWPGZSA-N 0 0 330.400 1.971 10 0 EDAERN C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000247145707 139137772 /nfs/dbraw/zinc/13/77/72/139137772.db2.gz YFQUSHJMELVJER-WZRBSPASSA-N 0 0 338.354 1.954 10 0 EDAERN CN1CCC(=O)Nc2cc(C(=O)N[C@H]3CCCC[C@H]3CO)ccc21 ZINC000247921117 139155745 /nfs/dbraw/zinc/15/57/45/139155745.db2.gz BWKDVRJNUOCACF-KBPBESRZSA-N 0 0 331.416 1.746 10 0 EDAERN CC(C)C(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 ZINC000012443192 211384669 /nfs/dbraw/zinc/38/46/69/211384669.db2.gz CUMHPFSCPVUIFI-UHFFFAOYSA-N 0 0 325.372 1.942 10 0 EDAERN O=C(Nc1ccccc1)c1cn(CCNC(=O)c2ccccn2)nn1 ZINC000012077875 211288004 /nfs/dbraw/zinc/28/80/04/211288004.db2.gz RTPJUINUQPHVMX-UHFFFAOYSA-N 0 0 336.355 1.355 10 0 EDAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000248642312 139169852 /nfs/dbraw/zinc/16/98/52/139169852.db2.gz OOIYCGNDSAWLAH-CXAGYDPISA-N 0 0 336.480 1.585 10 0 EDAERN COCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@]2(C(=O)[O-])C1 ZINC000091808324 218068950 /nfs/dbraw/zinc/06/89/50/218068950.db2.gz VQLOKLXZRASIJY-BBRMVZONSA-N 0 0 338.429 1.130 10 0 EDAERN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091780802 218065204 /nfs/dbraw/zinc/06/52/04/218065204.db2.gz IXQKFABNBBLAAA-ZYHUDNBSSA-N 0 0 326.780 1.128 10 0 EDAERN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091785559 218066185 /nfs/dbraw/zinc/06/61/85/218066185.db2.gz XITLMYUYVIXSTI-ZFWWWQNUSA-N 0 0 334.416 1.598 10 0 EDAERN COc1c(CN2CCNC(=O)C[C@H]2c2ccccc2)c(C)nn1C ZINC000092075890 218116361 /nfs/dbraw/zinc/11/63/61/218116361.db2.gz HGBQQPFDPWSWLT-INIZCTEOSA-N 0 0 328.416 1.800 10 0 EDAERN C[C@H](O)CN1CCN(C(=O)c2ccoc2Br)C[C@@H]1C ZINC000248853493 139177634 /nfs/dbraw/zinc/17/76/34/139177634.db2.gz XSQVOAAPBJLJEQ-UWVGGRQHSA-N 0 0 331.210 1.569 10 0 EDAERN COc1c(CN(CCO)Cc2ccc(OC)cc2OC)c(C)nn1C ZINC000093363771 218217696 /nfs/dbraw/zinc/21/76/96/218217696.db2.gz LEFWOUXESSCDCM-UHFFFAOYSA-N 0 0 349.431 1.749 10 0 EDAERN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCNC(=O)C1 ZINC000112208571 220259954 /nfs/dbraw/zinc/25/99/54/220259954.db2.gz NAJCBCXQYUGELK-SNVBAGLBSA-N 0 0 341.205 1.565 10 0 EDAERN C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](O)C[C@@H]1CO ZINC000249298809 139190830 /nfs/dbraw/zinc/19/08/30/139190830.db2.gz NREMNCXKSVXQJT-WQAKAFBOSA-N 0 0 343.221 1.204 10 0 EDAERN C[C@H](C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1)N1CCSCC1 ZINC000249486622 139194163 /nfs/dbraw/zinc/19/41/63/139194163.db2.gz CWWQIZSVFGHAGU-BPLDGKMQSA-N 0 0 340.514 1.720 10 0 EDAERN Cn1cc(N2CC[C@H](N3C[C@@H](c4ccsc4)[C@H](CO)C3)C2=O)cn1 ZINC000249600673 139196388 /nfs/dbraw/zinc/19/63/88/139196388.db2.gz YBWLGLIKKXGCIC-BPUTZDHNSA-N 0 0 346.456 1.295 10 0 EDAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1C(=O)NCC[C@@H]1C)C(C)C ZINC000249601942 139196436 /nfs/dbraw/zinc/19/64/36/139196436.db2.gz QQHMXFIJQPHZAC-CWRNSKLLSA-N 0 0 345.443 1.390 10 0 EDAERN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000250746483 139201307 /nfs/dbraw/zinc/20/13/07/139201307.db2.gz QZPPTBOOWTXMBP-IHRRRGAJSA-N 0 0 328.478 1.865 10 0 EDAERN Cc1ccccc1C[C@H](CO)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000188252885 272955632 /nfs/dbraw/zinc/95/56/32/272955632.db2.gz FRNQXIUNMARLPC-CABCVRRESA-N 0 0 329.404 1.324 10 0 EDAERN O=C(CCC(=O)N1CCOCC1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153268178 224081881 /nfs/dbraw/zinc/08/18/81/224081881.db2.gz MOXWTOUKIGCKRI-MRXNPFEDSA-N 0 0 334.391 1.958 10 0 EDAERN COC[C@H](C)C(=O)NCc1ccc(N(C)C(=O)[C@@H](C)COC)cc1 ZINC000179435038 532958094 /nfs/dbraw/zinc/95/80/94/532958094.db2.gz PLVIERWTUMYOAU-KBPBESRZSA-N 0 0 336.432 1.831 10 0 EDAERN COC[C@H](C)C(=O)NCC1CCC(CNC(=O)[C@@H](C)COC)CC1 ZINC000174103964 532958461 /nfs/dbraw/zinc/95/84/61/532958461.db2.gz GYDGPQMAILMDHZ-FXQLRMTLSA-N 0 0 342.480 1.590 10 0 EDAERN COCCNC(=O)[C@H](C)Nc1ncc(N)c(C)c1Br ZINC000165616046 533011473 /nfs/dbraw/zinc/01/14/73/533011473.db2.gz LCDLTUULEGYSIH-QMMMGPOBSA-N 0 0 331.214 1.298 10 0 EDAERN O=C([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000248891615 304249809 /nfs/dbraw/zinc/24/98/09/304249809.db2.gz SPSBOJZVKGFAOD-JTQLQIEISA-N 0 0 344.820 1.507 10 0 EDAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)c1nnc2n1CCCC2 ZINC000165603273 533036223 /nfs/dbraw/zinc/03/62/23/533036223.db2.gz TVUBJLJAOFWKCU-SECBINFHSA-N 0 0 349.341 1.709 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)C2=C(C)OCCC2)ncn1 ZINC000154077248 533051714 /nfs/dbraw/zinc/05/17/14/533051714.db2.gz LORLIXDGZUIVGH-ZDUSSCGKSA-N 0 0 331.420 1.688 10 0 EDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCCC2)nc1 ZINC000112646893 220363046 /nfs/dbraw/zinc/36/30/46/220363046.db2.gz OAGXDZVPQTUFIJ-OAHLLOKOSA-N 0 0 340.431 1.798 10 0 EDAERN COC(=O)[C@@](N)(CCSCCS(C)(=O)=O)c1ccccc1 ZINC000168235127 533101329 /nfs/dbraw/zinc/10/13/29/533101329.db2.gz LKOHJZZLHAWXNC-CQSZACIVSA-N 0 0 331.459 1.182 10 0 EDAERN CSc1nc(C)c(CCC(=O)N[C@H]2CCc3ncnn3C2)c(C)n1 ZINC000112649660 220364028 /nfs/dbraw/zinc/36/40/28/220364028.db2.gz AHPKOUUFROKBPD-LBPRGKRZSA-N 0 0 346.460 1.471 10 0 EDAERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112663339 220368250 /nfs/dbraw/zinc/36/82/50/220368250.db2.gz OOTAAYGQAVKDQA-BXUZGUMPSA-N 0 0 347.444 1.225 10 0 EDAERN O=C(CCc1cnn(-c2ccccc2)c1)N[C@H]1CCc2ncnn2C1 ZINC000112663060 220368947 /nfs/dbraw/zinc/36/89/47/220368947.db2.gz ZGIRVAWZVIVHRJ-HNNXBMFYSA-N 0 0 336.399 1.528 10 0 EDAERN CCn1cc(CN2CCCN(C(=O)NC3CCOCC3)CC2)cn1 ZINC000112717132 220385202 /nfs/dbraw/zinc/38/52/02/220385202.db2.gz SIJGUDKZMLYJEC-UHFFFAOYSA-N 0 0 335.452 1.299 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112719427 220386235 /nfs/dbraw/zinc/38/62/35/220386235.db2.gz SRLVUMBHCFEQLJ-HYVNUMGLSA-N 0 0 342.443 1.528 10 0 EDAERN CCOCc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112742896 220393776 /nfs/dbraw/zinc/39/37/76/220393776.db2.gz BGFAAWRIEDOXCM-HNNXBMFYSA-N 0 0 329.404 1.629 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)c[nH]1)CC2 ZINC000114872197 220772232 /nfs/dbraw/zinc/77/22/32/220772232.db2.gz GJCGOMQVPLMZLR-VIFPVBQESA-N 0 0 338.209 1.676 10 0 EDAERN CCCCOCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115347879 220833791 /nfs/dbraw/zinc/83/37/91/220833791.db2.gz FDWUYVRDHCFWPI-GDBMZVCRSA-N 0 0 336.436 1.263 10 0 EDAERN COc1ccc(/C=C\C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1O ZINC000492714840 255185686 /nfs/dbraw/zinc/18/56/86/255185686.db2.gz YBKMGOCWWIUBMQ-VOKGJARPSA-N 0 0 343.383 1.538 10 0 EDAERN CCOCCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117024105 221023049 /nfs/dbraw/zinc/02/30/49/221023049.db2.gz YQUQGZCNUWGOJU-QGZVFWFLSA-N 0 0 335.448 1.474 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCN1CCOC ZINC000117371814 221058331 /nfs/dbraw/zinc/05/83/31/221058331.db2.gz QNSLOUTYQRBPKF-AWEZNQCLSA-N 0 0 348.415 1.696 10 0 EDAERN COCCN1CCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C[C@H]1C ZINC000117285891 221042954 /nfs/dbraw/zinc/04/29/54/221042954.db2.gz RVDKVKFULSUFRS-MRXNPFEDSA-N 0 0 342.443 1.973 10 0 EDAERN COCCN1CCN(C(=O)COCCOc2ccccc2)C[C@H]1C ZINC000117285855 221044017 /nfs/dbraw/zinc/04/40/17/221044017.db2.gz BQGGNTNXRQRVME-MRXNPFEDSA-N 0 0 336.432 1.261 10 0 EDAERN COCCN1CCN(C(=O)c2cnn(-c3ccccc3)c2C)C[C@@H]1C ZINC000117287696 221044989 /nfs/dbraw/zinc/04/49/89/221044989.db2.gz JIOQKPXJFPSZTF-HNNXBMFYSA-N 0 0 342.443 1.973 10 0 EDAERN COCCN1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000117292540 221046487 /nfs/dbraw/zinc/04/64/87/221046487.db2.gz YVCYOMQQSDHIBI-OAHLLOKOSA-N 0 0 348.443 1.837 10 0 EDAERN COCCN1CCN(C(=O)c2ccc(-c3ncon3)cc2)C[C@@H]1C ZINC000117296831 221048292 /nfs/dbraw/zinc/04/82/92/221048292.db2.gz MTDRFSFUDBWWFH-ZDUSSCGKSA-N 0 0 330.388 1.529 10 0 EDAERN CCc1nc(CCNC(=O)N2CCN(CCOC)[C@@H](C)C2)cs1 ZINC000117490109 221070177 /nfs/dbraw/zinc/07/01/77/221070177.db2.gz RAVQMRNILQZIMQ-ZDUSSCGKSA-N 0 0 340.493 1.610 10 0 EDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 ZINC000117808393 221091900 /nfs/dbraw/zinc/09/19/00/221091900.db2.gz RICVVKWNVVLVEP-KRWDZBQOSA-N 0 0 340.427 1.541 10 0 EDAERN Cc1cnn(CCNC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 ZINC000117817775 221092857 /nfs/dbraw/zinc/09/28/57/221092857.db2.gz XABJDCBNXYGSLL-HUUCEWRRSA-N 0 0 343.431 1.630 10 0 EDAERN Cc1cnn(CCNC(=O)CCCc2ccc3c(c2)CC(=O)N3)c1 ZINC000117818478 221092950 /nfs/dbraw/zinc/09/29/50/221092950.db2.gz XXIOELKDUPFDKN-UHFFFAOYSA-N 0 0 326.400 1.825 10 0 EDAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000118206690 221130806 /nfs/dbraw/zinc/13/08/06/221130806.db2.gz NLWLAHCACYWPAN-MAZHCROVSA-N 0 0 329.404 1.449 10 0 EDAERN CC(C)(C)n1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000118669984 221166870 /nfs/dbraw/zinc/16/68/70/221166870.db2.gz UGSABWUFMFZFOP-CQSZACIVSA-N 0 0 328.420 1.827 10 0 EDAERN C[C@@H](O)CCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000118721147 221173740 /nfs/dbraw/zinc/17/37/40/221173740.db2.gz QGVTXKMVKIHKMW-ABAIWWIYSA-N 0 0 347.440 1.570 10 0 EDAERN Cc1conc1NC(=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000118997909 221220340 /nfs/dbraw/zinc/22/03/40/221220340.db2.gz YRUAOFRPANTMNE-LBPRGKRZSA-N 0 0 339.355 1.985 10 0 EDAERN Cn1cc([C@@H]2[C@@H](C(=O)NCC3(C4CC4)CC3)CCC(=O)N2C)cn1 ZINC000118998814 221220707 /nfs/dbraw/zinc/22/07/07/221220707.db2.gz GXKACWRKVQXOPF-GOEBONIOSA-N 0 0 330.432 1.636 10 0 EDAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2nocc2C)C1 ZINC000119137874 221251655 /nfs/dbraw/zinc/25/16/55/221251655.db2.gz CMTWMRAIEFKTPG-GFCCVEGCSA-N 0 0 331.376 1.544 10 0 EDAERN COC(=O)[C@@H]1CCCN(C(=O)c2nc(Br)cs2)C1 ZINC000119993791 221454996 /nfs/dbraw/zinc/45/49/96/221454996.db2.gz UAQCXTIYMPWSSF-SSDOTTSWSA-N 0 0 333.207 1.931 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCOCC(F)(F)F ZINC000155247896 224384532 /nfs/dbraw/zinc/38/45/32/224384532.db2.gz GAJSEHZQOOUPFW-SECBINFHSA-N 0 0 336.314 1.345 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CCO2)c1 ZINC000155253302 224385554 /nfs/dbraw/zinc/38/55/54/224385554.db2.gz PNXTZCALOWABHP-JONQDZQNSA-N 0 0 348.447 1.415 10 0 EDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ncccc1OC(C)C ZINC000155408842 224413786 /nfs/dbraw/zinc/41/37/86/224413786.db2.gz PKLMSJDWAJYMAV-LBPRGKRZSA-N 0 0 345.403 1.872 10 0 EDAERN CCS(=O)(=O)NCCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000155589739 224440474 /nfs/dbraw/zinc/44/04/74/224440474.db2.gz KXQZLJJTHRBEGM-WFASDCNBSA-N 0 0 339.461 1.864 10 0 EDAERN Cc1nc(CN2CC[C@@]3(CCN(C(=O)[C@@H]4CCCO4)C3)C2=O)cs1 ZINC000247931571 257673125 /nfs/dbraw/zinc/67/31/25/257673125.db2.gz CLKKVBZFZYSAER-YOEHRIQHSA-N 0 0 349.456 1.582 10 0 EDAERN O=C(c1ccnnc1)N1CC[C@@]2(C[C@@H](OCC3CCOCC3)CO2)C1 ZINC000247878858 257676086 /nfs/dbraw/zinc/67/60/86/257676086.db2.gz UUUFASQUXQCSPQ-SJLPKXTDSA-N 0 0 347.415 1.293 10 0 EDAERN COc1ccc(Br)c(-n2c(=O)[nH]cc(C(C)=O)c2=O)c1 ZINC000159274907 533255746 /nfs/dbraw/zinc/25/57/46/533255746.db2.gz SPWKLFIUSSXNBK-UHFFFAOYSA-N 0 0 339.145 1.500 10 0 EDAERN C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(Cl)c(Cl)c1 ZINC000174420304 533273515 /nfs/dbraw/zinc/27/35/15/533273515.db2.gz BPJISSZNMIIABI-RXMQYKEDSA-N 0 0 343.170 1.443 10 0 EDAERN COc1ccc(C)cc1CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177356810 533382248 /nfs/dbraw/zinc/38/22/48/533382248.db2.gz KDLATILLTKYESV-CQSZACIVSA-N 0 0 329.404 1.972 10 0 EDAERN COc1cc(Br)cc(NCC(=O)N2CCN(C)CC2)c1 ZINC000169115301 533488970 /nfs/dbraw/zinc/48/89/70/533488970.db2.gz XSXCAAREGYEYHT-UHFFFAOYSA-N 0 0 342.237 1.644 10 0 EDAERN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Br)s1 ZINC000163681041 533548046 /nfs/dbraw/zinc/54/80/46/533548046.db2.gz CPOKFYFUKFYLEG-NKWVEPMBSA-N 0 0 334.191 1.259 10 0 EDAERN C[C@@H](O)CCn1cnc(Cl)c(I)c1=O ZINC000166343411 533630072 /nfs/dbraw/zinc/63/00/72/533630072.db2.gz UQLPVXPAYJBGOD-RXMQYKEDSA-N 0 0 328.537 1.272 10 0 EDAERN COC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](n3cncn3)C2)c1C ZINC000158652354 533648339 /nfs/dbraw/zinc/64/83/39/533648339.db2.gz FGJABDHXJDTBKT-LBPRGKRZSA-N 0 0 331.376 1.487 10 0 EDAERN C[C@@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)n1cc(F)ccc1=O ZINC000071516385 132814355 /nfs/dbraw/zinc/81/43/55/132814355.db2.gz KGJVVNRHIQYWHC-JTQLQIEISA-N 0 0 330.315 1.787 10 0 EDAERN CC(=O)N1CCCc2cc(NC(=O)[C@@H](C)N3CCOCC3)ccc21 ZINC000328777767 140674607 /nfs/dbraw/zinc/67/46/07/140674607.db2.gz DGRYULPQRBFHIE-CYBMUJFWSA-N 0 0 331.416 1.645 10 0 EDAERN Cc1noc([C@@H]2CCN(C(=O)Cn3ncc(=O)c4ccccc43)C2)n1 ZINC000329041971 140692297 /nfs/dbraw/zinc/69/22/97/140692297.db2.gz ILPDMNCGYLGSNI-GFCCVEGCSA-N 0 0 339.355 1.104 10 0 EDAERN CCS(=O)(=O)NC1CCN(C(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329239667 140702717 /nfs/dbraw/zinc/70/27/17/140702717.db2.gz MDHIQQLYDQWOQA-LBPRGKRZSA-N 0 0 345.465 1.063 10 0 EDAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CC(O)(C2CC2)C1 ZINC000333184331 141277624 /nfs/dbraw/zinc/27/76/24/141277624.db2.gz TTZPPNAZALRNEY-UHFFFAOYSA-N 0 0 329.400 1.911 10 0 EDAERN Cc1c(C(=O)N2CC(=O)N(CC3CC3)C2)cccc1N1CCNC1=O ZINC000333345905 141302932 /nfs/dbraw/zinc/30/29/32/141302932.db2.gz URAXOXNSUGNAJM-UHFFFAOYSA-N 0 0 342.399 1.177 10 0 EDAERN Cc1cc2ncc(C(=O)N3CCC[C@H](c4nnc[nH]4)C3)c(C)n2n1 ZINC000333361354 141305463 /nfs/dbraw/zinc/30/54/63/141305463.db2.gz UJAUXMBDCUMFOJ-LBPRGKRZSA-N 0 0 325.376 1.484 10 0 EDAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3CCc4cccnc43)CCO2)n1 ZINC000333410580 141313644 /nfs/dbraw/zinc/31/36/44/141313644.db2.gz HCNSYRUZHJDKEX-CVEARBPZSA-N 0 0 341.415 1.247 10 0 EDAERN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)[C@@H]1CCCO1 ZINC000246684250 148970034 /nfs/dbraw/zinc/97/00/34/148970034.db2.gz BDRUUOIDPXPDKI-BPUTZDHNSA-N 0 0 331.416 1.618 10 0 EDAERN COc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC000173823542 286282436 /nfs/dbraw/zinc/28/24/36/286282436.db2.gz NVQGRVLJRKNLRL-CJNGLKHVSA-N 0 0 334.416 1.497 10 0 EDAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCCS(=O)(=O)CC)C12CCCC2 ZINC000151413654 286460833 /nfs/dbraw/zinc/46/08/33/286460833.db2.gz WWQMJDLGBLURMN-KGLIPLIRSA-N 0 0 346.493 1.800 10 0 EDAERN Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000193995040 292344231 /nfs/dbraw/zinc/34/42/31/292344231.db2.gz GKMAXTDVHKUKHG-NEPJUHHUSA-N 0 0 326.418 1.389 10 0 EDAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)C[C@H]3CCCCC(=O)N3)CCO2)n1 ZINC000328845732 161608415 /nfs/dbraw/zinc/60/84/15/161608415.db2.gz VJWKNUSLBIZAFT-CABCVRRESA-N 0 0 349.435 1.412 10 0 EDAERN COc1ccc([C@@H](C)NC(=O)Cc2nc3ncccn3n2)cc1OC ZINC000049655803 287218404 /nfs/dbraw/zinc/21/84/04/287218404.db2.gz YADMSQKOQQXPBM-LLVKDONJSA-N 0 0 341.371 1.561 10 0 EDAERN CSCC[C@H](NC(=O)[C@H]1CN(C)CCO1)c1nc2ccccc2[nH]1 ZINC000081359212 287312531 /nfs/dbraw/zinc/31/25/31/287312531.db2.gz HZMRGDHMMZRPEJ-LSDHHAIUSA-N 0 0 348.472 1.804 10 0 EDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)c1ccsc1 ZINC000081587109 287314105 /nfs/dbraw/zinc/31/41/05/287314105.db2.gz SMBBLSDBKODBGP-GFCCVEGCSA-N 0 0 333.417 1.419 10 0 EDAERN O=S(=O)(NCC1CC(O)C1)c1ccc(Br)s1 ZINC000084448380 287317589 /nfs/dbraw/zinc/31/75/89/287317589.db2.gz PBOVWYPZPVHOSZ-UHFFFAOYSA-N 0 0 326.237 1.560 10 0 EDAERN CCn1c([C@@H]2CCC[C@H](C(F)(F)F)C2)nnc1S(N)(=O)=O ZINC000158392966 225005947 /nfs/dbraw/zinc/00/59/47/225005947.db2.gz AFPJWIIAPJEAOR-SFYZADRCSA-N 0 0 326.344 1.782 10 0 EDAERN Nc1ccc(Br)cc1N1CCOC[C@@H]1C(=O)NC1CC1 ZINC000159273917 225185299 /nfs/dbraw/zinc/18/52/99/225185299.db2.gz JKEVDUOQAJLXTG-CYBMUJFWSA-N 0 0 340.221 1.515 10 0 EDAERN CCS(=O)(=O)[C@H]1CSCCN1C(=O)c1nnc(Cl)s1 ZINC000159916191 225302088 /nfs/dbraw/zinc/30/20/88/225302088.db2.gz FOBHRYHGUGCDMR-LURJTMIESA-N 0 0 341.867 1.141 10 0 EDAERN C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(N)c2)C1 ZINC000161498936 225639248 /nfs/dbraw/zinc/63/92/48/225639248.db2.gz FZNMYSOMNKFQGX-RKDXNWHRSA-N 0 0 349.250 1.423 10 0 EDAERN Cc1c(N)cc(Br)cc1S(=O)(=O)NCC(C)(C)O ZINC000161886277 225709487 /nfs/dbraw/zinc/70/94/87/225709487.db2.gz ZTQOGSFARJSIKY-UHFFFAOYSA-N 0 0 337.239 1.389 10 0 EDAERN NC(=O)c1ccc(Cn2cncc(Br)c2=O)c(Cl)c1 ZINC000163639664 226000383 /nfs/dbraw/zinc/00/03/83/226000383.db2.gz JRFPLOKRVYIINV-UHFFFAOYSA-N 0 0 342.580 1.806 10 0 EDAERN C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000124167787 287394824 /nfs/dbraw/zinc/39/48/24/287394824.db2.gz GKTHLPCBYGOQRD-OAHLLOKOSA-N 0 0 329.400 1.182 10 0 EDAERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000164778119 226097578 /nfs/dbraw/zinc/09/75/78/226097578.db2.gz GQLGVTPJNLDTNI-WFASDCNBSA-N 0 0 349.460 1.714 10 0 EDAERN C[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(Br)cnc1NN ZINC000167147874 226182870 /nfs/dbraw/zinc/18/28/70/226182870.db2.gz DKCACWGYAFJXPJ-NKWVEPMBSA-N 0 0 335.227 1.064 10 0 EDAERN [NH3+]Cc1cccc(Nc2nc[n-]c(=O)c2I)c1 ZINC000165422049 226123920 /nfs/dbraw/zinc/12/39/20/226123920.db2.gz VJYRVBLBIZVMER-UHFFFAOYSA-N 0 0 342.140 1.577 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1F ZINC000165500246 226126783 /nfs/dbraw/zinc/12/67/83/226126783.db2.gz RTTQOIZFGKSOIV-LLVKDONJSA-N 0 0 345.378 1.878 10 0 EDAERN Nc1c(Cl)ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)c1Cl ZINC000165953136 226142100 /nfs/dbraw/zinc/14/21/00/226142100.db2.gz PGDUAFUMIRIRLU-ZCFIWIBFSA-N 0 0 338.216 1.133 10 0 EDAERN C[C@H]([C@H](O)Cc1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000167671778 226196947 /nfs/dbraw/zinc/19/69/47/226196947.db2.gz RFKUQGCUBJFTDN-RDDDGLTNSA-N 0 0 325.199 1.925 10 0 EDAERN NC(=S)c1c(Br)cccc1N1CCS(=O)(=O)CC1 ZINC000168678184 226221188 /nfs/dbraw/zinc/22/11/88/226221188.db2.gz BMBKKOXDGPERPW-UHFFFAOYSA-N 0 0 349.275 1.318 10 0 EDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000170821833 226749153 /nfs/dbraw/zinc/74/91/53/226749153.db2.gz NUAWMJVHBFVLPK-RMRHIDDWSA-N 0 0 331.416 1.763 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCC(=O)N2CCCCC2)cn1 ZINC000171459325 227089216 /nfs/dbraw/zinc/08/92/16/227089216.db2.gz PUAWMOJENFDGNS-OAHLLOKOSA-N 0 0 333.436 1.669 10 0 EDAERN COC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000120299326 221539053 /nfs/dbraw/zinc/53/90/53/221539053.db2.gz WOHZLFBZRVDYAW-SNVBAGLBSA-N 0 0 333.323 1.340 10 0 EDAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121144616 221769486 /nfs/dbraw/zinc/76/94/86/221769486.db2.gz CQUCZQXROTWYJM-SECBINFHSA-N 0 0 348.733 1.863 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)CCSc3ccccn3)CCO2)[nH]1 ZINC000121305909 221810393 /nfs/dbraw/zinc/81/03/93/221810393.db2.gz UPKNMZHUENZPHD-GFCCVEGCSA-N 0 0 333.417 1.590 10 0 EDAERN C[C@H](Oc1cccnc1)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122182064 222032356 /nfs/dbraw/zinc/03/23/56/222032356.db2.gz SUHYYFJUNRSPMP-GJZGRUSLSA-N 0 0 341.415 1.766 10 0 EDAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCC[C@@H](n2cncn2)C1 ZINC000122504713 222101509 /nfs/dbraw/zinc/10/15/09/222101509.db2.gz BSBNJKJOSPKLLS-GFCCVEGCSA-N 0 0 343.362 1.779 10 0 EDAERN Cc1cc(C)n(CC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000122251977 222046701 /nfs/dbraw/zinc/04/67/01/222046701.db2.gz CCNBCVBOXHVEQH-HNNXBMFYSA-N 0 0 328.420 1.417 10 0 EDAERN COC(=O)c1ccc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000122453931 222090450 /nfs/dbraw/zinc/09/04/50/222090450.db2.gz BALWLONAGOPJFE-UHFFFAOYSA-N 0 0 349.412 1.765 10 0 EDAERN COCc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000122995240 222196454 /nfs/dbraw/zinc/19/64/54/222196454.db2.gz REHWGHTVFDLOTE-DNVCBOLYSA-N 0 0 346.427 1.925 10 0 EDAERN Cc1nn(C)c(C)c1CCNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000123193474 222232350 /nfs/dbraw/zinc/23/23/50/222232350.db2.gz ISUALZSAJZUTEL-KRWDZBQOSA-N 0 0 336.480 1.883 10 0 EDAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123310263 222254652 /nfs/dbraw/zinc/25/46/52/222254652.db2.gz KAFBDQGUJZSWHG-ZBEGNZNMSA-N 0 0 337.807 1.827 10 0 EDAERN Cc1ccc(N2CCCN(Cc3nnc(C(C)C)n3C)CC2)nn1 ZINC000171550628 227136838 /nfs/dbraw/zinc/13/68/38/227136838.db2.gz DKKKSKJEVAZTAJ-UHFFFAOYSA-N 0 0 329.452 1.749 10 0 EDAERN Cc1cc(NC(=O)CCN2CCN(Cc3cnc(C)s3)CC2)no1 ZINC000171556415 227138505 /nfs/dbraw/zinc/13/85/05/227138505.db2.gz ODWWGCDBFQIXBX-UHFFFAOYSA-N 0 0 349.460 1.894 10 0 EDAERN O=C(CN1CCCCCCC1=O)N1CCC(Nc2cccnn2)CC1 ZINC000171557029 227138920 /nfs/dbraw/zinc/13/89/20/227138920.db2.gz LXLAEWLZONFVPO-UHFFFAOYSA-N 0 0 345.447 1.672 10 0 EDAERN CCOc1ccnc(N2CCN([C@H](C)C(=O)N[C@H](C)CC)CC2)n1 ZINC000171594809 227160757 /nfs/dbraw/zinc/16/07/57/227160757.db2.gz XDWJCOOTYAAAKX-ZIAGYGMSSA-N 0 0 335.452 1.301 10 0 EDAERN O=C(NCc1ccc(OC(F)F)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000171866072 227324104 /nfs/dbraw/zinc/32/41/04/227324104.db2.gz RHLVRYXOOYPAKS-LLVKDONJSA-N 0 0 337.330 1.694 10 0 EDAERN Cc1cnn(CCNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000172127931 227482932 /nfs/dbraw/zinc/48/29/32/227482932.db2.gz JYMVMSPONROKQO-WMZOPIPTSA-N 0 0 340.427 1.917 10 0 EDAERN CCn1cc(C2CCN(C(=O)N[C@@H](C)CN3CCCC3=O)CC2)cn1 ZINC000172557467 227762978 /nfs/dbraw/zinc/76/29/78/227762978.db2.gz GZEGSNBOJQVTNL-AWEZNQCLSA-N 0 0 347.463 1.803 10 0 EDAERN COC(=O)c1cccc2c1CCCN2C[C@@H](O)CN1CCCC1=O ZINC000157699183 267485004 /nfs/dbraw/zinc/48/50/04/267485004.db2.gz WLNHEYHOKTVTAE-CYBMUJFWSA-N 0 0 332.400 1.209 10 0 EDAERN Cc1cnn(CCNC(=O)N(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000176248136 267556255 /nfs/dbraw/zinc/55/62/55/267556255.db2.gz ONRBZJYSVPEEFT-QGZVFWFLSA-N 0 0 328.416 1.883 10 0 EDAERN C[S@](=O)CCCNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109916888 272923769 /nfs/dbraw/zinc/92/37/69/272923769.db2.gz CBCPKNZSLCDHOM-AMXDTQDGSA-N 0 0 332.466 1.518 10 0 EDAERN Cc1c(C(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1C1CCOCC1 ZINC000163785320 272931651 /nfs/dbraw/zinc/93/16/51/272931651.db2.gz TTYBOTLWUHJXNR-MRXNPFEDSA-N 0 0 348.447 1.090 10 0 EDAERN C[C@H](COCc1ccccc1)NC(=O)CCC(=O)N1CCOCC1 ZINC000172965918 272932716 /nfs/dbraw/zinc/93/27/16/272932716.db2.gz YUVBKAWJILKVED-OAHLLOKOSA-N 0 0 334.416 1.347 10 0 EDAERN CCc1ccccc1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177650714 272941538 /nfs/dbraw/zinc/94/15/38/272941538.db2.gz BSBOJBSLJOZIPD-HNNXBMFYSA-N 0 0 342.399 1.312 10 0 EDAERN CCc1cccc(NC(=O)CNC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000155156335 287655831 /nfs/dbraw/zinc/65/58/31/287655831.db2.gz VGHGNJZMPGAQDG-MRXNPFEDSA-N 0 0 346.431 1.498 10 0 EDAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)N[C@H]1CCCn2ncnc21 ZINC000246175043 287730852 /nfs/dbraw/zinc/73/08/52/287730852.db2.gz MDJDPGKRMBYFOA-YPMHNXCESA-N 0 0 345.382 1.225 10 0 EDAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000249448444 287800320 /nfs/dbraw/zinc/80/03/20/287800320.db2.gz LQPOMLUGLFHXEQ-LZWOXQAQSA-N 0 0 345.443 1.520 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)/C=C\c3cncc(C)c3)CCO2)c1 ZINC000255870144 287851783 /nfs/dbraw/zinc/85/17/83/287851783.db2.gz RTZYHLQNNLSRTL-CWIOURORSA-N 0 0 326.400 1.836 10 0 EDAERN CCOCCN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@@H]1C ZINC000117283134 276320061 /nfs/dbraw/zinc/32/00/61/276320061.db2.gz IDYUQZFMFGVIQJ-YOEHRIQHSA-N 0 0 346.427 1.337 10 0 EDAERN CC(C)(C)CC(=O)N1CCN2C(=O)c3ccccc3NC(=O)[C@H]2C1 ZINC000004235845 277136435 /nfs/dbraw/zinc/13/64/35/277136435.db2.gz QILSYVZSWDLTIR-CQSZACIVSA-N 0 0 329.400 1.728 10 0 EDAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCCc3cc(F)ccc32)ncn1 ZINC000159306246 277828981 /nfs/dbraw/zinc/82/89/81/277828981.db2.gz FSBWABLYSJWNJM-CYBMUJFWSA-N 0 0 344.346 1.757 10 0 EDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000188528242 278072477 /nfs/dbraw/zinc/07/24/77/278072477.db2.gz ILZWICBFCURTFD-TZMCWYRMSA-N 0 0 344.333 1.646 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000186239875 288108795 /nfs/dbraw/zinc/10/87/95/288108795.db2.gz XWUVONAGPWPNRJ-YESZJQIVSA-N 0 0 341.496 1.678 10 0 EDAERN O=C(Nc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000056442041 280039283 /nfs/dbraw/zinc/03/92/83/280039283.db2.gz CMMURMIOWKYVJR-CQSZACIVSA-N 0 0 344.392 1.660 10 0 EDAERN CC(C)[C@@H]1N(C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@@]12CCCO2 ZINC000334010886 280046636 /nfs/dbraw/zinc/04/66/36/280046636.db2.gz VNVGMRRHAGXSJS-YCPHGPKFSA-N 0 0 344.477 1.553 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000189454369 280203059 /nfs/dbraw/zinc/20/30/59/280203059.db2.gz YCPQEEXKMYYPKH-QGZVFWFLSA-N 0 0 347.459 1.664 10 0 EDAERN CCc1c(C(=O)CN2CCC[C@@H]2C(=O)N(C)C)[nH]c(C)c1C(C)=O ZINC000085772153 281364307 /nfs/dbraw/zinc/36/43/07/281364307.db2.gz ZGKUKBUQIDMKTD-CQSZACIVSA-N 0 0 333.432 1.823 10 0 EDAERN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000154463215 288961078 /nfs/dbraw/zinc/96/10/78/288961078.db2.gz MOJITIYKAOCCAQ-OAHLLOKOSA-N 0 0 331.416 1.021 10 0 EDAERN C[C@@]1(C(=O)N[C@@H]2CCCn3ncnc32)Cc2ccccc2C(=O)O1 ZINC000177601560 289142972 /nfs/dbraw/zinc/14/29/72/289142972.db2.gz BQZGROATIDKAQY-DYVFJYSZSA-N 0 0 326.356 1.401 10 0 EDAERN CN(CC(C)(CO)CO)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000182916250 289525248 /nfs/dbraw/zinc/52/52/48/289525248.db2.gz AZWQUURQCOVKAP-WBVHZDCISA-N 0 0 348.443 1.045 10 0 EDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000180394128 293509907 /nfs/dbraw/zinc/50/99/07/293509907.db2.gz XTZAAPNOLKKEKA-AWEZNQCLSA-N 0 0 337.387 1.647 10 0 EDAERN NS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(Br)cc1 ZINC000095077627 295285985 /nfs/dbraw/zinc/28/59/85/295285985.db2.gz RUEVMVTWBSFRNP-ZYHUDNBSSA-N 0 0 334.235 1.685 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ncc(C)s3)C2=O)n(C)n1 ZINC000174516255 301335699 /nfs/dbraw/zinc/33/56/99/301335699.db2.gz AEQULCVCORAVAT-LLVKDONJSA-N 0 0 348.432 1.811 10 0 EDAERN O=C(CCC(=O)N1CCCC[C@@H]1c1nccs1)N1CCOCC1 ZINC000115365149 303575320 /nfs/dbraw/zinc/57/53/20/303575320.db2.gz DHENQWHIJWIRGS-CYBMUJFWSA-N 0 0 337.445 1.836 10 0 EDAERN O[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1O ZINC000015206050 304843110 /nfs/dbraw/zinc/84/31/10/304843110.db2.gz PHAPESVEHHOBEI-VUVWGQCBSA-N 0 0 340.416 1.611 10 0 EDAERN O=S(=O)(N[C@@H]1CN2CCC1CC2)c1cncc(Br)c1 ZINC000044243747 440827035 /nfs/dbraw/zinc/82/70/35/440827035.db2.gz MCCNHBSOJWMOPO-GFCCVEGCSA-N 0 0 346.250 1.217 10 0 EDAERN CC(C)Cc1ccc([C@H](C)NC(=O)NCCNS(C)(=O)=O)cc1 ZINC000045653405 441013669 /nfs/dbraw/zinc/01/36/69/441013669.db2.gz GFSLMDAIHJRAPB-ZDUSSCGKSA-N 0 0 341.477 1.795 10 0 EDAERN COc1ccc(CN2Cc3nc[nH]c3C[C@H]2C(=O)N2CCCC2)cc1 ZINC000012530200 441134330 /nfs/dbraw/zinc/13/43/30/441134330.db2.gz SGHHGQAKVHXAMA-SFHVURJKSA-N 0 0 340.427 1.968 10 0 EDAERN CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](OC(C)=O)C(=O)NC1CC1 ZINC000071973237 441202470 /nfs/dbraw/zinc/20/24/70/441202470.db2.gz UMBJIHSHCLDUFA-QWHCGFSZSA-N 0 0 328.409 1.890 10 0 EDAERN COc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000015555856 441205983 /nfs/dbraw/zinc/20/59/83/441205983.db2.gz DHZFKEWRDAUGQN-LLVKDONJSA-N 0 0 334.397 1.834 10 0 EDAERN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000058728374 441209646 /nfs/dbraw/zinc/20/96/46/441209646.db2.gz HXYBZUJIBNVQRJ-OAHLLOKOSA-N 0 0 346.408 1.800 10 0 EDAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000047684609 441219150 /nfs/dbraw/zinc/21/91/50/441219150.db2.gz ZGQQQICMFOMPIG-QMMMGPOBSA-N 0 0 335.747 1.789 10 0 EDAERN Cc1ccccc1[C@H](C)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000017963712 441246028 /nfs/dbraw/zinc/24/60/28/441246028.db2.gz FJQRGXRVIWMUEL-ZDUSSCGKSA-N 0 0 345.424 1.670 10 0 EDAERN CN1CCO[C@H](CNC(=O)Nc2ccc(CN3CCCC3=O)cc2)C1 ZINC000105281907 441248372 /nfs/dbraw/zinc/24/83/72/441248372.db2.gz RUBQOTWLDNPRSK-MRXNPFEDSA-N 0 0 346.431 1.261 10 0 EDAERN O=C(/C=C/c1cncc(F)c1)N1CCCN(c2cccnn2)CC1 ZINC000105811877 441276763 /nfs/dbraw/zinc/27/67/63/441276763.db2.gz IGWVQUKYPGPMRA-SNAWJCMRSA-N 0 0 327.363 1.763 10 0 EDAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000061783374 441290172 /nfs/dbraw/zinc/29/01/72/441290172.db2.gz MREMVONZQIDAQC-LBPRGKRZSA-N 0 0 342.399 1.750 10 0 EDAERN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1 ZINC000048698201 441325532 /nfs/dbraw/zinc/32/55/32/441325532.db2.gz RBLYQEWJMIPVMX-NSHDSACASA-N 0 0 326.418 1.579 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)CCn2ccc3ccccc32)CC1 ZINC000106392760 441337491 /nfs/dbraw/zinc/33/74/91/441337491.db2.gz XRVXNCRNYQBZBZ-KRWDZBQOSA-N 0 0 329.444 1.947 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(C)n(-c3ccccc3)n2)CC1 ZINC000106396740 441337926 /nfs/dbraw/zinc/33/79/26/441337926.db2.gz CRXTVJUJTIIOTG-QGZVFWFLSA-N 0 0 342.443 1.709 10 0 EDAERN Cn1c(CN2CCC[C@H](Cn3cncn3)C2)nnc1-c1ccccc1 ZINC000105884549 441307062 /nfs/dbraw/zinc/30/70/62/441307062.db2.gz AWTGNMMZSNKXSK-HNNXBMFYSA-N 0 0 337.431 1.986 10 0 EDAERN CCc1ccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105888898 441308061 /nfs/dbraw/zinc/30/80/61/441308061.db2.gz LAPHKHXESDIWGS-KRWDZBQOSA-N 0 0 328.416 1.785 10 0 EDAERN C[NH+](C)C[C@@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)CCO1 ZINC000105924990 441317398 /nfs/dbraw/zinc/31/73/98/441317398.db2.gz GQQGWIKOFGNWTO-CQSZACIVSA-N 0 0 345.365 1.906 10 0 EDAERN C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)CCO1 ZINC000105925066 441317983 /nfs/dbraw/zinc/31/79/83/441317983.db2.gz QHJCJVCPQALLCM-GFCCVEGCSA-N 0 0 345.365 1.906 10 0 EDAERN CC(C)COc1ccc(CCNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000106561320 441357213 /nfs/dbraw/zinc/35/72/13/441357213.db2.gz KVDAISOSKHPYHO-GOSISDBHSA-N 0 0 349.475 1.894 10 0 EDAERN CCc1ccc([C@@H](C)NC(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000083694090 441367471 /nfs/dbraw/zinc/36/74/71/441367471.db2.gz VTBLMMUBCMPQBX-CRAIPNDOSA-N 0 0 349.475 1.645 10 0 EDAERN CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083755093 441375594 /nfs/dbraw/zinc/37/55/94/441375594.db2.gz UOPBZEOVSLMKSD-GFCCVEGCSA-N 0 0 345.428 1.898 10 0 EDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccnc1N(C)C ZINC000087037144 441477172 /nfs/dbraw/zinc/47/71/72/441477172.db2.gz MELRZZGAOGGHJN-ZDUSSCGKSA-N 0 0 343.435 1.636 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109125123 441489242 /nfs/dbraw/zinc/48/92/42/441489242.db2.gz NCGBTZOSUXGENN-ZNMIVQPWSA-N 0 0 338.398 1.983 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCOCC1CC1 ZINC000088226088 441499010 /nfs/dbraw/zinc/49/90/10/441499010.db2.gz USCLCZPNTQIQPT-AWEZNQCLSA-N 0 0 332.466 1.076 10 0 EDAERN CC(C)Oc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000074773765 441465669 /nfs/dbraw/zinc/46/56/69/441465669.db2.gz RGXWYMIJQJSWAK-CQSZACIVSA-N 0 0 328.434 1.083 10 0 EDAERN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000053844647 441545496 /nfs/dbraw/zinc/54/54/96/441545496.db2.gz LALULZYYQBMGMM-XJKSGUPXSA-N 0 0 335.423 1.898 10 0 EDAERN CN1C(=O)C[C@H](C(=O)NCc2nccc(N)n2)[C@H]1c1ccc(F)cc1 ZINC000089506362 441556857 /nfs/dbraw/zinc/55/68/57/441556857.db2.gz IUEGWUBMNVXLGB-BLLLJJGKSA-N 0 0 343.362 1.034 10 0 EDAERN O=Cc1cccc(OCC(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000113173715 441585121 /nfs/dbraw/zinc/58/51/21/441585121.db2.gz CZMLHEJQDHZOFN-UHFFFAOYSA-N 0 0 340.383 1.771 10 0 EDAERN COc1ccccc1[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccn1 ZINC000089848166 441585301 /nfs/dbraw/zinc/58/53/01/441585301.db2.gz OMDRWVHARWHXMJ-SJKOYZFVSA-N 0 0 325.368 1.432 10 0 EDAERN C[C@@H]1C[C@@H]1NC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000076075931 441594256 /nfs/dbraw/zinc/59/42/56/441594256.db2.gz CPSLDNVHLXHMDN-WBMJQRKESA-N 0 0 331.416 1.594 10 0 EDAERN Cc1c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cccc1C(=O)N1CCCC1 ZINC000076098039 441597102 /nfs/dbraw/zinc/59/71/02/441597102.db2.gz RKLVTYCUQUSSQI-NHYWBVRUSA-N 0 0 329.400 1.694 10 0 EDAERN Cc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1Cl ZINC000113298341 441600059 /nfs/dbraw/zinc/60/00/59/441600059.db2.gz WYNRBNAJJBQCBA-JTQLQIEISA-N 0 0 326.809 1.533 10 0 EDAERN C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1F)N1CCOCC1 ZINC000041602336 441662732 /nfs/dbraw/zinc/66/27/32/441662732.db2.gz IYGQUDICNQMLKY-SNVBAGLBSA-N 0 0 343.786 1.255 10 0 EDAERN C[C@H](NC(=O)CN1CCCC[C@@H]1c1cn[nH]c1)C(=O)N1CCCCC1 ZINC000114483108 441662859 /nfs/dbraw/zinc/66/28/59/441662859.db2.gz VHWCUOUIZJYKDI-GOEBONIOSA-N 0 0 347.463 1.454 10 0 EDAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1c(C)cccc1C)CC2 ZINC000114862378 441693294 /nfs/dbraw/zinc/69/32/94/441693294.db2.gz JLUDTVLGPGHFCZ-AWEZNQCLSA-N 0 0 328.416 1.967 10 0 EDAERN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091782418 441740621 /nfs/dbraw/zinc/74/06/21/441740621.db2.gz FQJFQLFYIUZPJE-LBPRGKRZSA-N 0 0 349.387 1.584 10 0 EDAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)ccn2)ncn1 ZINC000173420375 441742823 /nfs/dbraw/zinc/74/28/23/441742823.db2.gz ODNHNMRELZZIDN-LBPRGKRZSA-N 0 0 346.822 1.966 10 0 EDAERN COc1ccccc1CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173425966 441745611 /nfs/dbraw/zinc/74/56/11/441745611.db2.gz FDVHXLQFYRFEFR-OAHLLOKOSA-N 0 0 329.404 1.876 10 0 EDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc[nH]c2=O)ncn1 ZINC000173425650 441745992 /nfs/dbraw/zinc/74/59/92/441745992.db2.gz PIGQDZVFEUCKSG-LLVKDONJSA-N 0 0 328.376 1.018 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000115652835 441766834 /nfs/dbraw/zinc/76/68/34/441766834.db2.gz HASIIZOEFYEEAF-PBHICJAKSA-N 0 0 349.479 1.432 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cccc3c1OCO3)CC2 ZINC000136808139 441724819 /nfs/dbraw/zinc/72/48/19/441724819.db2.gz FXTBRMNKTYNJKE-NSHDSACASA-N 0 0 328.372 1.875 10 0 EDAERN CN(CC1CCCC1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000115350195 441728893 /nfs/dbraw/zinc/72/88/93/441728893.db2.gz KOBLEIPWNOXNNX-WBVHZDCISA-N 0 0 332.448 1.978 10 0 EDAERN COC(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116369790 441815542 /nfs/dbraw/zinc/81/55/42/441815542.db2.gz OYKTYVVGTIPDGI-GFCCVEGCSA-N 0 0 349.412 1.385 10 0 EDAERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3ccc(F)cc3)CCO2)[nH]1 ZINC000173663781 441819165 /nfs/dbraw/zinc/81/91/65/441819165.db2.gz IICKIZPICXBJJI-AWEZNQCLSA-N 0 0 333.367 1.654 10 0 EDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCCCc1c[nH]nn1)CC2 ZINC000139504579 441819370 /nfs/dbraw/zinc/81/93/70/441819370.db2.gz ISNRYLJLMVQWOT-ZDUSSCGKSA-N 0 0 331.424 1.364 10 0 EDAERN C[C@@H](NC(=O)Nc1nncs1)c1ccc(S(C)(=O)=O)cc1 ZINC000043129612 441819635 /nfs/dbraw/zinc/81/96/35/441819635.db2.gz DVANZWTVHXOZKN-MRVPVSSYSA-N 0 0 326.403 1.824 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)COc3c(C)cccc3C)CCO2)[nH]1 ZINC000173521424 441776680 /nfs/dbraw/zinc/77/66/80/441776680.db2.gz HZHXKUCGABIWPQ-CQSZACIVSA-N 0 0 330.388 1.709 10 0 EDAERN CCc1nnc([C@@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)[nH]1 ZINC000138593730 441793925 /nfs/dbraw/zinc/79/39/25/441793925.db2.gz SIUQPHZWWBXOEO-AWEZNQCLSA-N 0 0 345.403 1.398 10 0 EDAERN CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173937154 441865555 /nfs/dbraw/zinc/86/55/55/441865555.db2.gz GMURHZKWWBPEDG-SFHVURJKSA-N 0 0 349.450 1.581 10 0 EDAERN C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173949820 441867156 /nfs/dbraw/zinc/86/71/56/441867156.db2.gz MVZDDVOQSNBVSB-UKRRQHHQSA-N 0 0 341.415 1.840 10 0 EDAERN C[C@H](NS(=O)(=O)C[C@H]1CCOC1)c1cccc(-n2ccnc2)c1 ZINC000173965374 441869645 /nfs/dbraw/zinc/86/96/45/441869645.db2.gz SOHAXADIWGQKMH-KBPBESRZSA-N 0 0 335.429 1.889 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116479807 441826298 /nfs/dbraw/zinc/82/62/98/441826298.db2.gz FEOJQJHHHZPAQM-CYBMUJFWSA-N 0 0 327.388 1.801 10 0 EDAERN CCCNC(=O)NC(=O)CNC1(c2noc(C(C)C)n2)CCCC1 ZINC000173700420 441827473 /nfs/dbraw/zinc/82/74/73/441827473.db2.gz FPBOOXNFQRFNDT-UHFFFAOYSA-N 0 0 337.424 1.788 10 0 EDAERN CCc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116586396 441831427 /nfs/dbraw/zinc/83/14/27/441831427.db2.gz NBSNGPLXAQWOTK-AWEZNQCLSA-N 0 0 326.400 1.937 10 0 EDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116586592 441831562 /nfs/dbraw/zinc/83/15/62/441831562.db2.gz NDLZDWHDRGLPCR-CQSZACIVSA-N 0 0 326.400 1.992 10 0 EDAERN Cc1nccn1-c1cncc(N[C@@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000092916432 441839153 /nfs/dbraw/zinc/83/91/53/441839153.db2.gz YVMGPDNDROCPBL-CQSZACIVSA-N 0 0 338.419 1.785 10 0 EDAERN Cc1ccccc1OCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173789779 441840954 /nfs/dbraw/zinc/84/09/54/441840954.db2.gz BVEPZTBDPOMHIL-INIZCTEOSA-N 0 0 333.432 1.490 10 0 EDAERN O=C(CCNC(=O)N1CCC[C@H](n2cncn2)C1)N1CCCCC1 ZINC000173820822 441845618 /nfs/dbraw/zinc/84/56/18/441845618.db2.gz LCUQLVFOBKCMFF-AWEZNQCLSA-N 0 0 334.424 1.027 10 0 EDAERN C[C@@H]1CN(C(=O)CSCc2ccccn2)C[C@H]1N1CCOCC1 ZINC000173843591 441848480 /nfs/dbraw/zinc/84/84/80/441848480.db2.gz GNPWHKYIAQORHP-GDBMZVCRSA-N 0 0 335.473 1.494 10 0 EDAERN CC[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)C(=O)OC ZINC000123551202 441891272 /nfs/dbraw/zinc/89/12/72/441891272.db2.gz IGQUETSNFVEYEK-VNHYZAJKSA-N 0 0 336.363 1.413 10 0 EDAERN CCOC(=O)C(C)(C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000119894943 441971263 /nfs/dbraw/zinc/97/12/63/441971263.db2.gz KVMKLQGATVXCTF-UHFFFAOYSA-N 0 0 336.436 1.044 10 0 EDAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000174512650 441932312 /nfs/dbraw/zinc/93/23/12/441932312.db2.gz BIUCBGRCLIEEOY-XJKSGUPXSA-N 0 0 339.480 1.689 10 0 EDAERN CC[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CC[N@@H+]1CCOC ZINC000119400993 441933558 /nfs/dbraw/zinc/93/35/58/441933558.db2.gz DFXXQLHYWBUZED-QGZVFWFLSA-N 0 0 335.448 1.277 10 0 EDAERN Cc1nnc(-c2cccc(C(=O)NC[C@H](C)N3CCOCC3)c2)o1 ZINC000174590703 441941295 /nfs/dbraw/zinc/94/12/95/441941295.db2.gz BHRDHUOJKDPGLQ-LBPRGKRZSA-N 0 0 330.388 1.496 10 0 EDAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000069460935 441943462 /nfs/dbraw/zinc/94/34/62/441943462.db2.gz ABFJHYYHGABMNS-ZFWWWQNUSA-N 0 0 335.379 1.959 10 0 EDAERN COC(=O)[C@@H]1C[C@@H]2c3ccc(O)cc3N(C(C)=O)[C@@H]2N1C(=O)OC ZINC000095936517 441952743 /nfs/dbraw/zinc/95/27/43/441952743.db2.gz KBAAHMQZNNBUBY-KWCYVHTRSA-N 0 0 334.328 1.182 10 0 EDAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1nc(C(C)(C)C)no1 ZINC000174750708 441964181 /nfs/dbraw/zinc/96/41/81/441964181.db2.gz YUOYXFQXBFVNDP-WDEREUQCSA-N 0 0 325.413 1.058 10 0 EDAERN O=C(Cn1c(=O)cnc2ccccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151081242 442001844 /nfs/dbraw/zinc/00/18/44/442001844.db2.gz MRCSDLAWQPXBRF-AUUYWEPGSA-N 0 0 341.411 1.550 10 0 EDAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccsc3)C2=O)n(C)n1 ZINC000175095853 442003294 /nfs/dbraw/zinc/00/32/94/442003294.db2.gz DXLSMWRBHYPADR-CYBMUJFWSA-N 0 0 347.444 1.785 10 0 EDAERN CCCS(=O)(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000175213153 442019399 /nfs/dbraw/zinc/01/93/99/442019399.db2.gz KKMOVEUMAIEPPK-CYBMUJFWSA-N 0 0 332.491 1.793 10 0 EDAERN C[C@H](NC(=O)NCc1cccc2c1OCO2)c1nnc2n1CCCC2 ZINC000161818689 442035845 /nfs/dbraw/zinc/03/58/45/442035845.db2.gz KJKOJAKHHRYKCH-NSHDSACASA-N 0 0 343.387 1.904 10 0 EDAERN Cc1nnc([C@@H]2CN(C(=O)NCCc3ccccc3F)CCO2)[nH]1 ZINC000175314302 442038864 /nfs/dbraw/zinc/03/88/64/442038864.db2.gz QOKQHZLEEHVEDS-AWEZNQCLSA-N 0 0 333.367 1.578 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)C(C)C ZINC000175609885 442092972 /nfs/dbraw/zinc/09/29/72/442092972.db2.gz KGYMULOQYDFLNZ-KBPBESRZSA-N 0 0 339.440 1.647 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1cccc(O)c1 ZINC000175331978 442043834 /nfs/dbraw/zinc/04/38/34/442043834.db2.gz CFQUVIGOUKMONC-HNNXBMFYSA-N 0 0 340.445 1.255 10 0 EDAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000125990703 442067717 /nfs/dbraw/zinc/06/77/17/442067717.db2.gz GFQYQEZRRMSZDL-CYBMUJFWSA-N 0 0 330.388 1.533 10 0 EDAERN CC[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1cccc(F)c1 ZINC000175622711 442095958 /nfs/dbraw/zinc/09/59/58/442095958.db2.gz ROJIRVFHSJHWIW-KBPBESRZSA-N 0 0 347.394 1.889 10 0 EDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CCNC(=O)Cc1ccccc1 ZINC000175745326 442115763 /nfs/dbraw/zinc/11/57/63/442115763.db2.gz JBZXPUMODKIPRM-AWEZNQCLSA-N 0 0 348.443 1.924 10 0 EDAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000175751638 442116283 /nfs/dbraw/zinc/11/62/83/442116283.db2.gz BBCTVEYJKQREIF-KGLIPLIRSA-N 0 0 337.464 1.986 10 0 EDAERN C[C@H](CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)Oc1ccccc1 ZINC000175784370 442121178 /nfs/dbraw/zinc/12/11/78/442121178.db2.gz ZJFLROKROHHLFY-JFIYKMOQSA-N 0 0 347.459 1.816 10 0 EDAERN CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c(C)o1 ZINC000175794200 442123724 /nfs/dbraw/zinc/12/37/24/442123724.db2.gz DJJHNNNVZWVPCU-CHWSQXEVSA-N 0 0 342.417 1.280 10 0 EDAERN COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126633518 442127811 /nfs/dbraw/zinc/12/78/11/442127811.db2.gz RKKMHOFKQMDOLT-KBPBESRZSA-N 0 0 337.424 1.287 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)Cc1cnn(-c2ccccc2)c1 ZINC000120800333 442134627 /nfs/dbraw/zinc/13/46/27/442134627.db2.gz QLBKJUPDIZANML-UHFFFAOYSA-N 0 0 346.416 1.555 10 0 EDAERN COCCOc1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175913112 442145231 /nfs/dbraw/zinc/14/52/31/442145231.db2.gz YWODRXQNWOROFS-CQSZACIVSA-N 0 0 331.376 1.960 10 0 EDAERN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176099518 442176293 /nfs/dbraw/zinc/17/62/93/442176293.db2.gz JRYAGBOPEXCIGF-LLVKDONJSA-N 0 0 337.742 1.660 10 0 EDAERN CN1C(=O)c2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2C1=O ZINC000121108267 442177930 /nfs/dbraw/zinc/17/79/30/442177930.db2.gz ZLQNRTMUOULXGP-YJYMSZOUSA-N 0 0 342.395 1.680 10 0 EDAERN C=CC(=O)NCCC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000163995024 442187359 /nfs/dbraw/zinc/18/73/59/442187359.db2.gz XOPAAPBARYWONR-OAHLLOKOSA-N 0 0 332.400 1.798 10 0 EDAERN CN(CC(=O)N1CCC[C@H](Cn2cncn2)C1)C(=O)c1cccs1 ZINC000127297514 442190264 /nfs/dbraw/zinc/19/02/64/442190264.db2.gz IWEMIOWQXGWZKQ-ZDUSSCGKSA-N 0 0 347.444 1.350 10 0 EDAERN C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000152342917 442199674 /nfs/dbraw/zinc/19/96/74/442199674.db2.gz IJVWEOUZDFZVDD-KGLIPLIRSA-N 0 0 332.429 1.686 10 0 EDAERN CCOCCNC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000175944316 442151329 /nfs/dbraw/zinc/15/13/29/442151329.db2.gz RZMCPEQCWFQYJP-CQSZACIVSA-N 0 0 335.452 1.294 10 0 EDAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2-n2ncc3c2nc[nH]c3=O)O1 ZINC000152066398 442160299 /nfs/dbraw/zinc/16/02/99/442160299.db2.gz DEEUMXFXYUQOGC-IINYFYTJSA-N 0 0 339.355 1.615 10 0 EDAERN Cc1noc([C@H]2COCCN2C(=O)CCOc2ccc(F)cc2)n1 ZINC000120982725 442161371 /nfs/dbraw/zinc/16/13/71/442161371.db2.gz YBPBWLPSVPZUKB-CQSZACIVSA-N 0 0 335.335 1.886 10 0 EDAERN C[C@H](NC(=O)CCc1ccnn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000120993910 442163526 /nfs/dbraw/zinc/16/35/26/442163526.db2.gz RWBRFDRMULXXPT-LBPRGKRZSA-N 0 0 335.429 1.634 10 0 EDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cnn(-c2ccccc2)c1 ZINC000176746058 442252201 /nfs/dbraw/zinc/25/22/01/442252201.db2.gz FGDCGLSJBUJJSW-AWEZNQCLSA-N 0 0 344.400 1.277 10 0 EDAERN CCCNC(=O)NC(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121353911 442206994 /nfs/dbraw/zinc/20/69/94/442206994.db2.gz QGHFXPPIVWBSGR-BXUZGUMPSA-N 0 0 341.358 1.308 10 0 EDAERN COC[C@H](C)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000121360880 442207853 /nfs/dbraw/zinc/20/78/53/442207853.db2.gz BPRTYQRKAPORMB-AWEZNQCLSA-N 0 0 339.867 1.861 10 0 EDAERN CC[C@@H](NC(=O)N[C@@H](C)c1cccs1)C(=O)N1CCOCC1 ZINC000176352652 442213138 /nfs/dbraw/zinc/21/31/38/442213138.db2.gz XWZSNMVSMVCVKU-NWDGAFQWSA-N 0 0 325.434 1.746 10 0 EDAERN Cc1ccc([C@H](CNC(=O)Cc2cnn(C)c2)N2CCOCC2)s1 ZINC000176571100 442235518 /nfs/dbraw/zinc/23/55/18/442235518.db2.gz QASSOBMSDFHSIS-HNNXBMFYSA-N 0 0 348.472 1.522 10 0 EDAERN CCOCCN1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@@H]1C ZINC000127996636 442238606 /nfs/dbraw/zinc/23/86/06/442238606.db2.gz FAWXLVWQCXONHO-HNNXBMFYSA-N 0 0 343.431 1.450 10 0 EDAERN CCC1(CNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000176601978 442238851 /nfs/dbraw/zinc/23/88/51/442238851.db2.gz XPFSRFOFWAACFX-LLVKDONJSA-N 0 0 325.434 1.884 10 0 EDAERN C[C@H]1CN([C@@H](CNC(=O)c2ccc(=O)[nH]n2)c2cccs2)CCO1 ZINC000176603209 442239255 /nfs/dbraw/zinc/23/92/55/442239255.db2.gz IVPFMWJJOHWYSV-AAEUAGOBSA-N 0 0 348.428 1.023 10 0 EDAERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000176611596 442239693 /nfs/dbraw/zinc/23/96/93/442239693.db2.gz VKDRQGLIDIZBGH-NWDGAFQWSA-N 0 0 335.408 1.486 10 0 EDAERN CC(C)c1nnc(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000176925397 442274247 /nfs/dbraw/zinc/27/42/47/442274247.db2.gz LBWGYHJIBKDQSQ-UONOGXRCSA-N 0 0 336.436 1.305 10 0 EDAERN COCCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000176927599 442274744 /nfs/dbraw/zinc/27/47/44/442274744.db2.gz AMRJMQMHLGCULC-STQMWFEESA-N 0 0 327.450 1.456 10 0 EDAERN O=C(c1csc(-c2cnccn2)n1)N1CCN2CCCC[C@@H]2C1 ZINC000170853577 442275157 /nfs/dbraw/zinc/27/51/57/442275157.db2.gz UJNLRZHNLMTJGB-GFCCVEGCSA-N 0 0 329.429 1.910 10 0 EDAERN Cn1cc([C@H]2CCCN2C(=O)NCCNC(=O)c2cccnc2)cn1 ZINC000170892185 442284531 /nfs/dbraw/zinc/28/45/31/442284531.db2.gz ACWICTZUMSATFN-OAHLLOKOSA-N 0 0 342.403 1.092 10 0 EDAERN C[C@@H]1CN([C@@H](CNC(=O)CCc2nnc[nH]2)c2cccs2)CCO1 ZINC000177249014 442319334 /nfs/dbraw/zinc/31/93/34/442319334.db2.gz BHZUOOXLFZSIGX-OLZOCXBDSA-N 0 0 349.460 1.377 10 0 EDAERN COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177308218 442326950 /nfs/dbraw/zinc/32/69/50/442326950.db2.gz GXCJVVZKNRBIJM-STQMWFEESA-N 0 0 331.376 1.154 10 0 EDAERN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177325885 442328601 /nfs/dbraw/zinc/32/86/01/442328601.db2.gz IBYXZRLCKFHGCK-ZIAGYGMSSA-N 0 0 346.435 1.061 10 0 EDAERN CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccco1 ZINC000177347178 442330659 /nfs/dbraw/zinc/33/06/59/442330659.db2.gz PVTYSMKJLNFFPV-CABCVRRESA-N 0 0 331.420 1.953 10 0 EDAERN O=C(NCCCOC[C@H]1CCCO1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177369054 442333214 /nfs/dbraw/zinc/33/32/14/442333214.db2.gz QLEDWKGYIVLJBU-HZPDHXFCSA-N 0 0 336.436 1.643 10 0 EDAERN O=C(CSC[C@H](O)CO)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000177412798 442338107 /nfs/dbraw/zinc/33/81/07/442338107.db2.gz QHVAKQBAOXQOBN-LLVKDONJSA-N 0 0 342.417 1.974 10 0 EDAERN CSc1nccn1-c1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000171287322 442339101 /nfs/dbraw/zinc/33/91/01/442339101.db2.gz SITPLTNJYZHLQW-OAHLLOKOSA-N 0 0 346.456 1.655 10 0 EDAERN Cc1ccncc1NC(=O)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177521547 442352181 /nfs/dbraw/zinc/35/21/81/442352181.db2.gz JSHKQXQICZNINF-GFCCVEGCSA-N 0 0 332.385 1.385 10 0 EDAERN C[C@@H](SCc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000129248613 442308345 /nfs/dbraw/zinc/30/83/45/442308345.db2.gz BRMUQTHLZOZYQW-ZBFHGGJFSA-N 0 0 338.473 1.118 10 0 EDAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCOC1CCCC1 ZINC000129341444 442312079 /nfs/dbraw/zinc/31/20/79/442312079.db2.gz SQFMXSWIBLMZIU-MRXNPFEDSA-N 0 0 333.432 1.732 10 0 EDAERN COCCN1CCN(C(=O)c2c(C)c3ccccc3oc2=O)C[C@H]1C ZINC000177218898 442315418 /nfs/dbraw/zinc/31/54/18/442315418.db2.gz RRXPDSXGJDSDHE-CYBMUJFWSA-N 0 0 344.411 1.894 10 0 EDAERN CC(=O)c1cccc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177223206 442315835 /nfs/dbraw/zinc/31/58/35/442315835.db2.gz IRIFTSAUYAUQJY-KSSFIOAISA-N 0 0 345.443 1.480 10 0 EDAERN CCn1cc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1=O ZINC000177229350 442316406 /nfs/dbraw/zinc/31/64/06/442316406.db2.gz ZQUFYOLKGSTQPY-ZFWWWQNUSA-N 0 0 334.420 1.053 10 0 EDAERN Cc1cc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1F ZINC000177652777 442367109 /nfs/dbraw/zinc/36/71/09/442367109.db2.gz XENQFRPPQLKMEQ-AWEZNQCLSA-N 0 0 346.362 1.197 10 0 EDAERN CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177688851 442371124 /nfs/dbraw/zinc/37/11/24/442371124.db2.gz XHWCQQGXLVNOGL-GFCCVEGCSA-N 0 0 328.438 1.143 10 0 EDAERN CNC(=O)c1cccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177715454 442374897 /nfs/dbraw/zinc/37/48/97/442374897.db2.gz AHCSALWWDLMCTC-XJKSGUPXSA-N 0 0 346.431 1.231 10 0 EDAERN Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177809694 442387402 /nfs/dbraw/zinc/38/74/02/442387402.db2.gz FEBCBHKSKJDPCD-BBRMVZONSA-N 0 0 346.431 1.278 10 0 EDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C(C)C)N1CCCC1=O ZINC000155323791 442387474 /nfs/dbraw/zinc/38/74/74/442387474.db2.gz JOXWOANGLNFOJP-DOMZBBRYSA-N 0 0 349.435 1.023 10 0 EDAERN CN(C)c1nc2sc(C(=O)N[C@@H]3CCc4ncnn4C3)cc2s1 ZINC000172002369 442397704 /nfs/dbraw/zinc/39/77/04/442397704.db2.gz DUMIVYBHSKTNJG-MRVPVSSYSA-N 0 0 348.457 1.760 10 0 EDAERN CCCC(O)(CCC)CC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000155447438 442399443 /nfs/dbraw/zinc/39/94/43/442399443.db2.gz OCHBRKXRVRZEKD-ZDUSSCGKSA-N 0 0 325.409 1.999 10 0 EDAERN Cc1ccc2[nH]c(C(=O)NC[C@@H](O)CN3CCOCC3)cc2c1C ZINC000132789287 442400707 /nfs/dbraw/zinc/40/07/07/442400707.db2.gz KSGDZBIMUMJUJC-CQSZACIVSA-N 0 0 331.416 1.208 10 0 EDAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCC(=O)NC(C)C ZINC000172067637 442405960 /nfs/dbraw/zinc/40/59/60/442405960.db2.gz VJDWPNCLQVHRCF-AWEZNQCLSA-N 0 0 335.452 1.798 10 0 EDAERN C[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CCCC1 ZINC000172092952 442408677 /nfs/dbraw/zinc/40/86/77/442408677.db2.gz SBRUCJJCXRQHDL-LBPRGKRZSA-N 0 0 343.435 1.431 10 0 EDAERN O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1CCc2ncnn2C1 ZINC000133757432 442432443 /nfs/dbraw/zinc/43/24/43/442432443.db2.gz IALGNYGCUBYCCC-LLVKDONJSA-N 0 0 346.460 1.470 10 0 EDAERN Cc1cnn(CCNC(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c1 ZINC000172292618 442436603 /nfs/dbraw/zinc/43/66/03/442436603.db2.gz BYVHZJKBWFINDO-INIZCTEOSA-N 0 0 346.435 1.115 10 0 EDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(-n2ccnn2)c1 ZINC000155947077 442438541 /nfs/dbraw/zinc/43/85/41/442438541.db2.gz RMTPNKQQRWNDSJ-CQSZACIVSA-N 0 0 337.387 1.686 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000172318840 442443153 /nfs/dbraw/zinc/44/31/53/442443153.db2.gz ZBCBDJFKGDWDSC-MRXNPFEDSA-N 0 0 347.463 1.602 10 0 EDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(C)n1 ZINC000134206198 442458560 /nfs/dbraw/zinc/45/85/60/442458560.db2.gz JYKHFZIQKWXHKZ-AWEZNQCLSA-N 0 0 325.434 1.210 10 0 EDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc([S@@](C)=O)cc1)CC2 ZINC000134130133 442452647 /nfs/dbraw/zinc/45/26/47/442452647.db2.gz YGYJBYBAJJKBSB-OZAJXLCCSA-N 0 0 346.456 1.884 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)[C@H](C)NC(=O)c3ccco3)CCO2)cn1 ZINC000191700648 442491734 /nfs/dbraw/zinc/49/17/34/442491734.db2.gz RRYXICCABZHUAB-SWLSCSKDSA-N 0 0 346.387 1.214 10 0 EDAERN CCOCCS(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172605066 442502025 /nfs/dbraw/zinc/50/20/25/442502025.db2.gz PQJNTDTVCAENNU-UHFFFAOYSA-N 0 0 339.417 1.316 10 0 EDAERN Cn1cc([C@@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)cn1 ZINC000179806348 442506344 /nfs/dbraw/zinc/50/63/44/442506344.db2.gz ZFPBCJCNDVIHDW-CYBMUJFWSA-N 0 0 333.461 1.703 10 0 EDAERN Cn1cc([C@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)cn1 ZINC000179806362 442506360 /nfs/dbraw/zinc/50/63/60/442506360.db2.gz ZFPBCJCNDVIHDW-ZDUSSCGKSA-N 0 0 333.461 1.703 10 0 EDAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(N(C)C)nc2ccccc21 ZINC000191764048 442507144 /nfs/dbraw/zinc/50/71/44/442507144.db2.gz YHPGXCMEZRKVFE-LBPRGKRZSA-N 0 0 326.400 1.651 10 0 EDAERN CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C)C(C)C ZINC000178866152 442507969 /nfs/dbraw/zinc/50/79/69/442507969.db2.gz UOLJAQVBDKGSMR-CVEARBPZSA-N 0 0 347.459 1.636 10 0 EDAERN COc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)c(OC(C)C)c1 ZINC000191605780 442475425 /nfs/dbraw/zinc/47/54/25/442475425.db2.gz JYWDNVXZHWIBJI-GFCCVEGCSA-N 0 0 330.388 1.819 10 0 EDAERN CCSc1cc(CNC(=O)NC[C@H](C)N2CCOCC2)ccn1 ZINC000186164888 442476953 /nfs/dbraw/zinc/47/69/53/442476953.db2.gz PXVUVPGYFXPPKP-ZDUSSCGKSA-N 0 0 338.477 1.714 10 0 EDAERN O=C(c1cccc(N2CCCC2=O)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172754531 442534551 /nfs/dbraw/zinc/53/45/51/442534551.db2.gz WPQZQTNXSOUBNB-KRWDZBQOSA-N 0 0 343.427 1.360 10 0 EDAERN O=C(NCc1nc(C2CC2)cs1)N1CC[C@H](N2CCOCC2)C1 ZINC000157062870 442545866 /nfs/dbraw/zinc/54/58/66/442545866.db2.gz AUVXGQQNHUIYMN-ZDUSSCGKSA-N 0 0 336.461 1.637 10 0 EDAERN Cc1c(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cccc1N(C)C ZINC000180179515 442553956 /nfs/dbraw/zinc/55/39/56/442553956.db2.gz ZZMCHFWARUJAPV-OAHLLOKOSA-N 0 0 332.448 1.999 10 0 EDAERN COC(=O)C1CCC(C(=O)NCC(=O)NCCc2ccccc2)CC1 ZINC000180179781 442554184 /nfs/dbraw/zinc/55/41/84/442554184.db2.gz URYPMIDSGVSSSV-UHFFFAOYSA-N 0 0 346.427 1.441 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)CNc3ccccc3OC)CCO2)cn1 ZINC000191787585 442511091 /nfs/dbraw/zinc/51/10/91/442511091.db2.gz GHDWYRKBANHNCI-QGZVFWFLSA-N 0 0 344.415 1.924 10 0 EDAERN CCN1CCO[C@@H](CNC(=O)c2csc(Br)c2)C1 ZINC000134691450 442511895 /nfs/dbraw/zinc/51/18/95/442511895.db2.gz JRZBAKWNTCRDMR-JTQLQIEISA-N 0 0 333.251 1.961 10 0 EDAERN CSCC[C@@H](NC(=O)C(=O)NCC1CC1)c1nc2ccccc2[nH]1 ZINC000191834316 442519703 /nfs/dbraw/zinc/51/97/03/442519703.db2.gz BWNIZQQAVPIZPZ-CQSZACIVSA-N 0 0 346.456 2.000 10 0 EDAERN COCc1cccc(CNC(=O)CN2CCC[C@]2(C)C(=O)OC)c1 ZINC000186393257 442525144 /nfs/dbraw/zinc/52/51/44/442525144.db2.gz NCDQVCCNAAECMQ-GOSISDBHSA-N 0 0 334.416 1.477 10 0 EDAERN NC(=O)[C@H]1COCCN1C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000180276658 442572344 /nfs/dbraw/zinc/57/23/44/442572344.db2.gz ODSBSAWGFYMQHA-KBOKABMXSA-N 0 0 344.411 1.734 10 0 EDAERN CCOC(=O)N[C@@H](C(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000135269183 442573705 /nfs/dbraw/zinc/57/37/05/442573705.db2.gz HDAAFJZKPNYOHD-DGCLKSJQSA-N 0 0 337.424 1.562 10 0 EDAERN COC(=O)C1CCC(C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000180354203 442585271 /nfs/dbraw/zinc/58/52/71/442585271.db2.gz PTVSVAJWZXOLGX-RUXDESIVSA-N 0 0 349.406 1.895 10 0 EDAERN O=C1CCCN1C[C@@H](O)CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000157501218 442588795 /nfs/dbraw/zinc/58/87/95/442588795.db2.gz ZXMXFXBLQYBGNV-YLJYHZDGSA-N 0 0 339.439 1.876 10 0 EDAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H]2CCCC[C@H]2CO)c1C ZINC000179224788 442600048 /nfs/dbraw/zinc/60/00/48/442600048.db2.gz KTCGXLXGZYORTR-XJKSGUPXSA-N 0 0 339.457 1.988 10 0 EDAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000179233867 442602937 /nfs/dbraw/zinc/60/29/37/442602937.db2.gz UKTXKEFOQNZVHK-DZGCQCFKSA-N 0 0 346.431 1.652 10 0 EDAERN Cn1nc(Br)cc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000192155159 442605229 /nfs/dbraw/zinc/60/52/29/442605229.db2.gz SQPVMFLRLZOUBX-IINYFYTJSA-N 0 0 342.237 1.950 10 0 EDAERN C[C@H](c1nnnn1C1CC1)N1CCC(N(C)c2cccnn2)CC1 ZINC000191998801 442559456 /nfs/dbraw/zinc/55/94/56/442559456.db2.gz LLDWMMMJSOOZRR-GFCCVEGCSA-N 0 0 328.424 1.460 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000192004599 442562407 /nfs/dbraw/zinc/56/24/07/442562407.db2.gz QFCHETNGVLBEAK-AWEZNQCLSA-N 0 0 344.467 1.237 10 0 EDAERN CCc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(C)c3)CCO2)[nH]1 ZINC000180235601 442563418 /nfs/dbraw/zinc/56/34/18/442563418.db2.gz HEFUPLMHKUSXEI-CYBMUJFWSA-N 0 0 343.387 1.214 10 0 EDAERN CCc1nnc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)n1C ZINC000172897040 442564642 /nfs/dbraw/zinc/56/46/42/442564642.db2.gz JQMLUWDRVQEZAI-UHFFFAOYSA-N 0 0 331.395 1.361 10 0 EDAERN CCOc1cc(C)nc(N2CCN([C@@H](C)CN3CCOCC3)CC2)n1 ZINC000180616192 442635069 /nfs/dbraw/zinc/63/50/69/442635069.db2.gz UPHBOGUIQAKOGL-INIZCTEOSA-N 0 0 349.479 1.026 10 0 EDAERN CN1C(=O)C[C@@H](C(=O)NCCc2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000179382735 442637822 /nfs/dbraw/zinc/63/78/22/442637822.db2.gz OPAUBPGJNVRQEW-CJNGLKHVSA-N 0 0 330.363 1.427 10 0 EDAERN COc1ncncc1NC(=O)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180645551 442641761 /nfs/dbraw/zinc/64/17/61/442641761.db2.gz GGEIRPOSFZBYJJ-ABAIWWIYSA-N 0 0 340.383 1.782 10 0 EDAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179410587 442643537 /nfs/dbraw/zinc/64/35/37/442643537.db2.gz COWWMZNHFYKALH-CYBMUJFWSA-N 0 0 344.381 1.911 10 0 EDAERN COC(=O)c1sccc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1O ZINC000136019029 442646734 /nfs/dbraw/zinc/64/67/34/442646734.db2.gz FPTCRPVEGLREMH-UWVGGRQHSA-N 0 0 333.431 1.507 10 0 EDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C)[nH]c(=O)c3)C2=O)n(C)n1 ZINC000180492144 442610951 /nfs/dbraw/zinc/61/09/51/442610951.db2.gz UIUJASXRRJNDER-ZDUSSCGKSA-N 0 0 343.387 1.063 10 0 EDAERN COC(=O)N[C@@H](C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C(C)C ZINC000179335856 442624589 /nfs/dbraw/zinc/62/45/89/442624589.db2.gz QELNCIKDFGDCQZ-QWHCGFSZSA-N 0 0 349.435 1.769 10 0 EDAERN C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CCS1(=O)=O ZINC000192298720 442628999 /nfs/dbraw/zinc/62/89/99/442628999.db2.gz LBUVACJHTLBPBB-ZBFHGGJFSA-N 0 0 338.473 1.195 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)Nc2nc3c(s2)CCCC3)C[C@H]1C ZINC000173234083 442629010 /nfs/dbraw/zinc/62/90/10/442629010.db2.gz RVDOKSLOFWYAKA-VXGBXAGGSA-N 0 0 338.477 1.941 10 0 EDAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)C[C@H]1C ZINC000180603128 442631960 /nfs/dbraw/zinc/63/19/60/442631960.db2.gz GZCMOUBENXOPSX-GHMZBOCLSA-N 0 0 346.349 1.938 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(Br)ccc1O ZINC000188073234 442707943 /nfs/dbraw/zinc/70/79/43/442707943.db2.gz ACPCSDIFGUMUGJ-MRVPVSSYSA-N 0 0 327.178 1.505 10 0 EDAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2ccco2)O1 ZINC000181238533 442685781 /nfs/dbraw/zinc/68/57/81/442685781.db2.gz MGAHACFJLIYGPA-NFAWXSAZSA-N 0 0 335.404 1.762 10 0 EDAERN Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c(Cl)c1 ZINC000187930317 442698393 /nfs/dbraw/zinc/69/83/93/442698393.db2.gz CQYBXBPRWPRRCJ-UHFFFAOYSA-N 0 0 328.821 1.548 10 0 EDAERN Cc1cc(F)c(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1F ZINC000187932933 442698841 /nfs/dbraw/zinc/69/88/41/442698841.db2.gz MSLGQVXWMSQDHY-UHFFFAOYSA-N 0 0 330.356 1.172 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H](C)CN1CCCC1=O)CC2 ZINC000181499494 442700524 /nfs/dbraw/zinc/70/05/24/442700524.db2.gz BZIILSQXARHDDJ-STQMWFEESA-N 0 0 348.451 1.026 10 0 EDAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000193017832 442705873 /nfs/dbraw/zinc/70/58/73/442705873.db2.gz BTADUKGFMZDXOP-ZYHUDNBSSA-N 0 0 337.445 1.628 10 0 EDAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCC(=O)C1CC1)C(C)C ZINC000180819850 442662647 /nfs/dbraw/zinc/66/26/47/442662647.db2.gz ZCIBVSLQPNVFTI-MRXNPFEDSA-N 0 0 332.400 1.545 10 0 EDAERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@H]3CCc4ncnn4C3)c2c1 ZINC000181851367 442719118 /nfs/dbraw/zinc/71/91/18/442719118.db2.gz ZONMEJBRISCZGN-JTQLQIEISA-N 0 0 341.346 1.724 10 0 EDAERN CCO[C@@H](CCNC(=O)N1CCN(C[C@H](O)CC)CC1)C(C)C ZINC000181882828 442720634 /nfs/dbraw/zinc/72/06/34/442720634.db2.gz DBZTUAQJRZUFQY-CVEARBPZSA-N 0 0 329.485 1.536 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCCOC(C)C)CCO2)c1 ZINC000181942798 442723203 /nfs/dbraw/zinc/72/32/03/442723203.db2.gz LZABPWFIKZZWBH-INIZCTEOSA-N 0 0 338.452 1.807 10 0 EDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2c(C)cccc2C)CC1 ZINC000182010069 442727706 /nfs/dbraw/zinc/72/77/06/442727706.db2.gz VQDIVEJUXAFQEO-QGZVFWFLSA-N 0 0 333.476 1.944 10 0 EDAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3cccc(C)n3)CC2)cn1 ZINC000193320829 442732849 /nfs/dbraw/zinc/73/28/49/442732849.db2.gz NMESXEIUNZIPAH-UHFFFAOYSA-N 0 0 341.415 1.951 10 0 EDAERN CC(C)(CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)N1CCOCC1 ZINC000182200118 442744588 /nfs/dbraw/zinc/74/45/88/442744588.db2.gz NXWUXJUCSWTARZ-HNNXBMFYSA-N 0 0 335.452 1.757 10 0 EDAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cn3)C2)c1 ZINC000193476065 442747006 /nfs/dbraw/zinc/74/70/06/442747006.db2.gz BCXZHQMLKQVLDX-ZDUSSCGKSA-N 0 0 331.351 1.528 10 0 EDAERN COc1ccc(CN(C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C2CC2)cc1 ZINC000188459000 442752256 /nfs/dbraw/zinc/75/22/56/442752256.db2.gz DCJSLTUITMIWAX-NVXWUHKLSA-N 0 0 332.400 1.168 10 0 EDAERN COc1cccc2[nH]cc(CC(=O)N3CC(NC(=O)C4CCC4)C3)c21 ZINC000188468522 442753433 /nfs/dbraw/zinc/75/34/33/442753433.db2.gz MSVQVYPCWDEATB-UHFFFAOYSA-N 0 0 341.411 1.846 10 0 EDAERN Cc1n[nH]c(C)c1NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188122865 442713917 /nfs/dbraw/zinc/71/39/17/442713917.db2.gz YHVVTFDKSIRMNJ-KBPBESRZSA-N 0 0 334.445 1.734 10 0 EDAERN CCOC(=O)[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(Cl)cc1 ZINC000193863646 442801607 /nfs/dbraw/zinc/80/16/07/442801607.db2.gz AMUJHWNCTRRNRR-MFKMUULPSA-N 0 0 336.779 1.913 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000188506648 442757537 /nfs/dbraw/zinc/75/75/37/442757537.db2.gz OEWICVDOUYVYCO-SECBINFHSA-N 0 0 343.786 1.697 10 0 EDAERN Cc1cccc2nc(C3CCN(C(=O)[C@@H](C)NC(N)=O)CC3)oc21 ZINC000188512915 442758726 /nfs/dbraw/zinc/75/87/26/442758726.db2.gz WZWBHTMMKJTFKN-LLVKDONJSA-N 0 0 330.388 1.899 10 0 EDAERN CCCCNC(=O)[C@H](C)S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182388220 442762661 /nfs/dbraw/zinc/76/26/61/442762661.db2.gz BVPADXSFKKZBJW-NSHDSACASA-N 0 0 330.454 1.158 10 0 EDAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2cnc(Cl)c(C)c2)CC1 ZINC000182403929 442764220 /nfs/dbraw/zinc/76/42/20/442764220.db2.gz INKRMQVCSKICFI-LBPRGKRZSA-N 0 0 347.868 1.121 10 0 EDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(O)cc2O)CC1 ZINC000182451452 442769169 /nfs/dbraw/zinc/76/91/69/442769169.db2.gz WUSNWLCKCVXQAK-UHFFFAOYSA-N 0 0 344.415 1.406 10 0 EDAERN COC(=O)[C@@H](c1cccnc1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246433854 442782055 /nfs/dbraw/zinc/78/20/55/442782055.db2.gz MYJALBNUWPSCRS-HZPDHXFCSA-N 0 0 330.388 1.202 10 0 EDAERN Cc1ccc2oc(N3CCN(C(=O)CCCCC(N)=O)CC3)nc2c1 ZINC000188865714 442830629 /nfs/dbraw/zinc/83/06/29/442830629.db2.gz ATNAEPYLBTZPHA-UHFFFAOYSA-N 0 0 344.415 1.831 10 0 EDAERN CC(C)Cn1ccnc1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188869642 442831372 /nfs/dbraw/zinc/83/13/72/442831372.db2.gz AECJGGAUUBNXLV-UHFFFAOYSA-N 0 0 333.436 1.349 10 0 EDAERN C[C@H](NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1)[C@@H]1CCCO1 ZINC000193943078 442816251 /nfs/dbraw/zinc/81/62/51/442816251.db2.gz QBJFIDRSAOLAMK-WFASDCNBSA-N 0 0 328.372 1.495 10 0 EDAERN CCOCCN1CCN(C(=O)c2nc3cccnc3s2)C[C@@H]1C ZINC000193950056 442817065 /nfs/dbraw/zinc/81/70/65/442817065.db2.gz BILVHVOUPUKVJS-LBPRGKRZSA-N 0 0 334.445 1.874 10 0 EDAERN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188928607 442843587 /nfs/dbraw/zinc/84/35/87/442843587.db2.gz XUDGZGPNZMXNCD-NSHDSACASA-N 0 0 348.353 1.810 10 0 EDAERN CC(C)c1nnc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)n1C ZINC000177018896 318443084 /nfs/dbraw/zinc/44/30/84/318443084.db2.gz CKZQHQDDTLCKNI-OLZOCXBDSA-N 0 0 328.482 1.726 10 0 EDAERN CCc1noc([C@H](C)N2CCN(C[C@@H](O)CC(F)(F)F)CC2)n1 ZINC000189189979 442894624 /nfs/dbraw/zinc/89/46/24/442894624.db2.gz KQFULLLENFHGGS-QWRGUYRKSA-N 0 0 336.358 1.624 10 0 EDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000189244652 442904244 /nfs/dbraw/zinc/90/42/44/442904244.db2.gz GUXZMYBRMIGUPM-DJSGYFEHSA-N 0 0 347.390 1.082 10 0 EDAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC2C3CC4CC(C3)CC2C4)O1 ZINC000183214048 442904663 /nfs/dbraw/zinc/90/46/63/442904663.db2.gz KOKMAYWSEOHWRO-GFJZSFIYSA-N 0 0 349.475 1.746 10 0 EDAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](CC)c2nccs2)CC1 ZINC000181806555 318490269 /nfs/dbraw/zinc/49/02/69/318490269.db2.gz KCOHSVAVCLWLND-STQMWFEESA-N 0 0 326.466 1.692 10 0 EDAERN C[C@@H]1C(=O)NCCCN1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000189270536 442908869 /nfs/dbraw/zinc/90/88/69/442908869.db2.gz DUHLTZUYHXYAPT-LLVKDONJSA-N 0 0 341.814 1.648 10 0 EDAERN CCn1c(C)nnc1CSc1nnnn1-c1ccccc1OC ZINC000194661470 442933904 /nfs/dbraw/zinc/93/39/04/442933904.db2.gz VDBSLUOGXMMFAW-UHFFFAOYSA-N 0 0 331.405 1.883 10 0 EDAERN O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)[C@@H]1CNC(=O)C1 ZINC000194731984 442944594 /nfs/dbraw/zinc/94/45/94/442944594.db2.gz CYHNKELVBBEVGT-HNNXBMFYSA-N 0 0 349.390 1.964 10 0 EDAERN Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCCNC(=O)[C@@H]3C)C2=O)c1 ZINC000188085015 318557935 /nfs/dbraw/zinc/55/79/35/318557935.db2.gz BLNOGLZGWRVFCO-GOEBONIOSA-N 0 0 343.427 1.393 10 0 EDAERN CCOc1cc(/C=C/C(=O)N2CC(NC(=O)C3CC3)C2)ccc1O ZINC000189458220 442959606 /nfs/dbraw/zinc/95/96/06/442959606.db2.gz QBCDXIPKCRVKEP-XBXARRHUSA-N 0 0 330.384 1.541 10 0 EDAERN CC(C)n1nnnc1CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195056424 442979646 /nfs/dbraw/zinc/97/96/46/442979646.db2.gz CHZQJRIAENESBK-GFCCVEGCSA-N 0 0 337.449 1.851 10 0 EDAERN CCOc1cc(NC2CCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)ncn1 ZINC000183974716 442979699 /nfs/dbraw/zinc/97/96/99/442979699.db2.gz WRAFXRYVFKFGID-OCCSQVGLSA-N 0 0 334.420 1.846 10 0 EDAERN COc1cc(N2CCN(Cc3nnc(C(C)C)n3C)CC2)ncn1 ZINC000184067425 442987497 /nfs/dbraw/zinc/98/74/97/442987497.db2.gz SPIZTPPRLBZSTI-UHFFFAOYSA-N 0 0 331.424 1.059 10 0 EDAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N[C@H](C)c1ccccc1OC ZINC000249591620 442992888 /nfs/dbraw/zinc/99/28/88/442992888.db2.gz VOEGWONURUPTMV-FZKQIMNGSA-N 0 0 334.416 1.900 10 0 EDAERN CCn1cc(C2CCN(C(=O)Cc3nnc(NC)s3)CC2)cn1 ZINC000183688211 442953566 /nfs/dbraw/zinc/95/35/66/442953566.db2.gz IDGIYZMYIKHDMT-UHFFFAOYSA-N 0 0 334.449 1.745 10 0 EDAERN CCCCN(CCCO)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000183693481 442953620 /nfs/dbraw/zinc/95/36/20/442953620.db2.gz JLGHDPJBGMDPLW-CQSZACIVSA-N 0 0 337.468 1.910 10 0 EDAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CCC[C@H](CO)C1 ZINC000189817250 443015961 /nfs/dbraw/zinc/01/59/61/443015961.db2.gz VQCXEKBCOOZGGT-RWMBFGLXSA-N 0 0 330.400 1.565 10 0 EDAERN CC(C)n1nnnc1CS(=O)(=O)CCC(=O)Nc1ccccc1 ZINC000195428624 443016758 /nfs/dbraw/zinc/01/67/58/443016758.db2.gz HVTNQZQLKDASRW-UHFFFAOYSA-N 0 0 337.405 1.198 10 0 EDAERN COCCN1CCN(C(=O)Nc2ccn([C@H](C)COC)n2)C[C@@H]1C ZINC000251856080 443018447 /nfs/dbraw/zinc/01/84/47/443018447.db2.gz RCACXEQRQTUECW-UONOGXRCSA-N 0 0 339.440 1.275 10 0 EDAERN CC(C)n1nnnc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511354 443025835 /nfs/dbraw/zinc/02/58/35/443025835.db2.gz CEKLBVINYYXPFZ-CYBMUJFWSA-N 0 0 330.440 1.909 10 0 EDAERN O=C(c1ccc(F)cc1)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CC(O)C1 ZINC000252485908 443029794 /nfs/dbraw/zinc/02/97/94/443029794.db2.gz CBTGQOBWGLNVPI-XKQJLSEDSA-N 0 0 346.402 1.802 10 0 EDAERN CCOCCN1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@@H]1C ZINC000184564320 443040375 /nfs/dbraw/zinc/04/03/75/443040375.db2.gz VIABQBQBVNMDGU-ZDUSSCGKSA-N 0 0 333.432 1.435 10 0 EDAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000190346227 443088435 /nfs/dbraw/zinc/08/84/35/443088435.db2.gz QLOSGPPQBVJBAJ-BXUZGUMPSA-N 0 0 326.418 1.691 10 0 EDAERN CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000224070337 443096230 /nfs/dbraw/zinc/09/62/30/443096230.db2.gz FZRWUECQSVDWFF-KWQFWETISA-N 0 0 329.194 1.517 10 0 EDAERN O=C(NCc1ccnc(N2CCOCC2)n1)Nc1cccc(F)c1 ZINC000224219906 443097108 /nfs/dbraw/zinc/09/71/08/443097108.db2.gz HFZIDQHOSBGSNE-UHFFFAOYSA-N 0 0 331.351 1.774 10 0 EDAERN CNC(=O)[C@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)C(C)C ZINC000184672382 443057697 /nfs/dbraw/zinc/05/76/97/443057697.db2.gz ANDLQLYKMYHUFN-CYBMUJFWSA-N 0 0 330.392 1.374 10 0 EDAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccs2)cn1 ZINC000184766003 443073360 /nfs/dbraw/zinc/07/33/60/443073360.db2.gz QMCIECZPMCTGTH-VIFPVBQESA-N 0 0 325.415 1.542 10 0 EDAERN CC(=O)NC1CN(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)C1 ZINC000190228426 443073613 /nfs/dbraw/zinc/07/36/13/443073613.db2.gz YBNOKZYRGQAIPB-JTQLQIEISA-N 0 0 325.796 1.637 10 0 EDAERN O=C(N[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1CO)c1ccncc1 ZINC000257192642 443122575 /nfs/dbraw/zinc/12/25/75/443122575.db2.gz QUUCGGZKHMEXEX-WMLDXEAASA-N 0 0 347.365 1.583 10 0 EDAERN O=C(CN1CCOCC1)N1CCCn2ccnc2[C@H]1C1CCCC1 ZINC000257195499 443123462 /nfs/dbraw/zinc/12/34/62/443123462.db2.gz WFYNESHRPBSUDW-QGZVFWFLSA-N 0 0 332.448 1.679 10 0 EDAERN COCC(=O)NC1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)C1 ZINC000185245063 443168608 /nfs/dbraw/zinc/16/86/08/443168608.db2.gz ADDAKPRGQQHZED-UHFFFAOYSA-N 0 0 349.774 1.582 10 0 EDAERN CCn1cc([C@@H]2CN(CCCS(=O)(=O)C(C)C)CCO2)cn1 ZINC000190736242 443173769 /nfs/dbraw/zinc/17/37/69/443173769.db2.gz PQCUMOMUJVCDEP-HNNXBMFYSA-N 0 0 329.466 1.490 10 0 EDAERN CCn1cc([C@H]2CN(C(=O)NCCCc3c[nH]nc3C)CCO2)cn1 ZINC000190814333 443188252 /nfs/dbraw/zinc/18/82/52/443188252.db2.gz QDIDNNGOZVKMCO-MRXNPFEDSA-N 0 0 346.435 1.650 10 0 EDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)C1 ZINC000185356940 443188246 /nfs/dbraw/zinc/18/82/46/443188246.db2.gz CGMSTAZSEVJNRM-ZFWWWQNUSA-N 0 0 325.453 1.748 10 0 EDAERN CCc1cnc(NC(=O)C(=O)N[C@@H]2CCCn3nc(CC)nc32)s1 ZINC000190619574 443150231 /nfs/dbraw/zinc/15/02/31/443150231.db2.gz SQJBHNXKDHWKPM-SNVBAGLBSA-N 0 0 348.432 1.449 10 0 EDAERN COC(=O)CCCCCS(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000190653042 443157805 /nfs/dbraw/zinc/15/78/05/443157805.db2.gz PBFWEAVKXOWVBU-CQSZACIVSA-N 0 0 332.466 1.220 10 0 EDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000191018028 443226118 /nfs/dbraw/zinc/22/61/18/443226118.db2.gz MIKGYKIRSVAXKU-CYBMUJFWSA-N 0 0 328.453 1.676 10 0 EDAERN C[C@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)N1CCOCC1 ZINC000185643113 443232173 /nfs/dbraw/zinc/23/21/73/443232173.db2.gz DIVJRVRTMGDBDD-CYBMUJFWSA-N 0 0 344.390 1.733 10 0 EDAERN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000185663233 443234338 /nfs/dbraw/zinc/23/43/38/443234338.db2.gz NENBSWRHOYISAX-ZFWWWQNUSA-N 0 0 334.445 1.873 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)N(CCCCO)C2CC2)C12CCOCC2 ZINC000185673059 443236112 /nfs/dbraw/zinc/23/61/12/443236112.db2.gz CNOJWCBNLATVGN-HZPDHXFCSA-N 0 0 340.464 1.907 10 0 EDAERN COCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000190872656 443201305 /nfs/dbraw/zinc/20/13/05/443201305.db2.gz XPZAQUNASGQINI-ZBFHGGJFSA-N 0 0 334.416 1.481 10 0 EDAERN CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C(=O)OCc2ccccc2)C1 ZINC000191215014 443259918 /nfs/dbraw/zinc/25/99/18/443259918.db2.gz ZAEPJZMJFQQLDB-INIZCTEOSA-N 0 0 333.432 1.856 10 0 EDAERN Cc1c(Br)scc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000185850806 443269862 /nfs/dbraw/zinc/26/98/62/443269862.db2.gz MIIFIORESDKSPI-MRVPVSSYSA-N 0 0 333.207 1.145 10 0 EDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC000328609422 444392614 /nfs/dbraw/zinc/39/26/14/444392614.db2.gz DGWNLXFUBDYJTP-IACUBPJLSA-N 0 0 347.346 1.809 10 0 EDAERN Cn1ccnc1[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CCN1C ZINC000372541639 447124483 /nfs/dbraw/zinc/12/44/83/447124483.db2.gz ZROPCXVPZXZMMF-CQSZACIVSA-N 0 0 328.420 1.151 10 0 EDAERN COc1ccc(C2(C(=O)N3C[C@H](O)[C@@H](CO)C3)CC3(CCC3)C2)cc1 ZINC000575603390 447865363 /nfs/dbraw/zinc/86/53/63/447865363.db2.gz DWFNTSUSXUMATJ-PBHICJAKSA-N 0 0 345.439 1.709 10 0 EDAERN COc1ccc(F)c(S(N)(=O)=O)c1I ZINC000575705085 447880921 /nfs/dbraw/zinc/88/09/21/447880921.db2.gz GNPPWNATKMJYPG-UHFFFAOYSA-N 0 0 331.106 1.086 10 0 EDAERN CCc1ccc(I)c(OC)c1S(N)(=O)=O ZINC000575706710 447881866 /nfs/dbraw/zinc/88/18/66/447881866.db2.gz WICABQXHMJXBCD-UHFFFAOYSA-N 0 0 341.170 1.510 10 0 EDAERN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1C[C@@H](F)C[C@H]1CO ZINC000499724566 448084781 /nfs/dbraw/zinc/08/47/81/448084781.db2.gz IFTQAXXOQRLRAX-INWMFGNUSA-N 0 0 339.386 1.766 10 0 EDAERN Cc1cnn(C[C@H]2CN(C(=O)/C=C\c3cncc(O)c3)CCO2)c1 ZINC000492522162 448231769 /nfs/dbraw/zinc/23/17/69/448231769.db2.gz SKQCXFKOLRLXQG-RXYHWBRQSA-N 0 0 328.372 1.233 10 0 EDAERN Cc1nc2c(c(N3CC[C@@](O)(c4cn(C(C)C)nn4)C3)n1)CCCC2 ZINC000583616669 448444049 /nfs/dbraw/zinc/44/40/49/448444049.db2.gz YMNPOBDWBKYRQU-SFHVURJKSA-N 0 0 342.447 1.934 10 0 EDAERN C[C@H]1OCCN[C@@H]1C(=O)NCCNc1ncccc1C(F)(F)F ZINC000583617632 448444598 /nfs/dbraw/zinc/44/45/98/448444598.db2.gz SWAXLEOAHFGAAG-KOLCDFICSA-N 0 0 332.326 1.005 10 0 EDAERN CC(C)Cc1noc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1 ZINC000583617867 448447514 /nfs/dbraw/zinc/44/75/14/448447514.db2.gz BIZFFEAHQSWTQB-QGZVFWFLSA-N 0 0 348.451 1.924 10 0 EDAERN Cc1c(C(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)cnn1C1CCCC1 ZINC000583619141 448449907 /nfs/dbraw/zinc/44/99/07/448449907.db2.gz VUKPNTDDVWKIMN-INIZCTEOSA-N 0 0 330.392 1.158 10 0 EDAERN CN1C(=O)C[C@@H](NC(=O)c2noc3c2CCCC3)[C@@H]1c1cccnc1 ZINC000583621010 448451867 /nfs/dbraw/zinc/45/18/67/448451867.db2.gz ISQHVDFWFMBTIX-DYVFJYSZSA-N 0 0 340.383 1.650 10 0 EDAERN Cn1ccc(NC(=O)N(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)n1 ZINC000583651943 448458083 /nfs/dbraw/zinc/45/80/83/448458083.db2.gz WMTQQPXYWSKNGS-GASCZTMLSA-N 0 0 344.415 2.463 10 0 EDAERN [NH3+]Cc1ccc(-c2ccc([S@](=O)CCN3CCOCC3)cc2)cn1 ZINC000584629760 448586399 /nfs/dbraw/zinc/58/63/99/448586399.db2.gz QWNPIIUURLGDPW-XMMPIXPASA-N 0 0 345.468 1.647 10 0 EDAERN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NCc2ccco2)C1 ZINC000521396680 448980127 /nfs/dbraw/zinc/98/01/27/448980127.db2.gz ODHSMVJCJNNOAD-UMVBOHGHSA-N 0 0 340.445 1.594 10 0 EDAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1cnc(C)nc1C ZINC000618465482 450211657 /nfs/dbraw/zinc/21/16/57/450211657.db2.gz ZZWKDNAXMJDOAK-DZGCQCFKSA-N 0 0 329.404 1.817 10 0 EDAERN Cc1nnc([C@H]2CN(C(=O)c3cccc4nc[nH]c43)C[C@@H](C)O2)o1 ZINC000619283787 450445727 /nfs/dbraw/zinc/44/57/27/450445727.db2.gz AEADYNOUCFDINV-NOZJJQNGSA-N 0 0 327.344 1.857 10 0 EDAERN NS(=O)(=O)N1c2ccccc2CC[C@@H]1c1ccccc1CCO ZINC000616594551 450454768 /nfs/dbraw/zinc/45/47/68/450454768.db2.gz NDKBTVNCCLLGKQ-QGZVFWFLSA-N 0 0 332.425 1.919 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2cc3ccccc3nn2)Cc2ccccc21 ZINC000616676240 450459411 /nfs/dbraw/zinc/45/94/11/450459411.db2.gz WYUHVIWMOUBQJD-AWEZNQCLSA-N 0 0 340.408 1.980 10 0 EDAERN NS(=O)(=O)N1C[C@@H](c2cnnc3ccccc32)Nc2ccccc21 ZINC000616679215 450459593 /nfs/dbraw/zinc/45/95/93/450459593.db2.gz CVHIYBPYMKHPCL-HNNXBMFYSA-N 0 0 341.396 1.807 10 0 EDAERN COC(=O)[C@H]1CNc2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000616684843 450460209 /nfs/dbraw/zinc/46/02/09/450460209.db2.gz POROJAXOTLNUEU-OAHLLOKOSA-N 0 0 332.381 1.849 10 0 EDAERN CCN1CCO[C@H](CNC(=O)c2cc(O)cc(Br)c2)C1 ZINC000625677705 450473679 /nfs/dbraw/zinc/47/36/79/450473679.db2.gz PNTKNPAVSKIVQO-CYBMUJFWSA-N 0 0 343.221 1.605 10 0 EDAERN CCn1cc(O[C@@H]2CN(c3cncc(OCC(C)C)n3)C[C@H]2O)cn1 ZINC000624420753 450843796 /nfs/dbraw/zinc/84/37/96/450843796.db2.gz WXUMZYMCIAACFJ-HUUCEWRRSA-N 0 0 347.419 1.356 10 0 EDAERN COc1cc(F)c(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c(Cl)c1 ZINC000633594581 450933762 /nfs/dbraw/zinc/93/37/62/450933762.db2.gz VKNQBZBVWDBARC-DYEKYZERSA-N 0 0 339.754 1.789 10 0 EDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccc(Br)cn1 ZINC000633923025 451102236 /nfs/dbraw/zinc/10/22/36/451102236.db2.gz GAQODDNDVPVNMA-LLVKDONJSA-N 0 0 328.210 1.247 10 0 EDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccc(Br)s1 ZINC000633926857 451107322 /nfs/dbraw/zinc/10/73/22/451107322.db2.gz AXAUQKOGLSGNEV-VIFPVBQESA-N 0 0 333.251 1.913 10 0 EDAERN CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000630342714 451125904 /nfs/dbraw/zinc/12/59/04/451125904.db2.gz VWLVUNJPZVTNOL-IAGOWNOFSA-N 0 0 346.427 1.639 10 0 EDAERN Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N)n3)C2)c(F)cc1F ZINC000630722586 451361812 /nfs/dbraw/zinc/36/18/12/451361812.db2.gz JOMPOODVCFSUCR-VIFPVBQESA-N 0 0 334.326 1.981 10 0 EDAERN Cc1noc([C@H]2CN(C(=O)CCc3ccnc(C)n3)C[C@@H](C)O2)n1 ZINC000628858815 451442348 /nfs/dbraw/zinc/44/23/48/451442348.db2.gz DLRIKYKDNPYABZ-QMTHXVAHSA-N 0 0 331.376 1.398 10 0 EDAERN CO[C@@]1(c2nnc(CN3CC(C)(C)OC(C)(C)C3)o2)CCOC1 ZINC000644270620 453222265 /nfs/dbraw/zinc/22/22/65/453222265.db2.gz YBKQXLRDYIRLPX-INIZCTEOSA-N 0 0 325.409 1.721 10 0 EDAERN CN1C[C@@H](CNS(=O)(=O)c2ccccc2Br)CC1=O ZINC000681821010 487182783 /nfs/dbraw/zinc/18/27/83/487182783.db2.gz NCLKDQGMYZZUKL-SECBINFHSA-N 0 0 347.234 1.206 10 0 EDAERN COc1cccc(CCNC(=O)N2C[C@H](F)C[C@@H]2CO)c1OC ZINC000681955329 487265274 /nfs/dbraw/zinc/26/52/74/487265274.db2.gz CWFKKERBYLAMPW-CHWSQXEVSA-N 0 0 326.368 1.361 10 0 EDAERN CCN1C(=O)CC[C@H](C(=O)N(C)Cc2ccon2)[C@H]1c1ccnn1C ZINC000669049547 485594553 /nfs/dbraw/zinc/59/45/53/485594553.db2.gz WFISIVWMJMQDOO-BBRMVZONSA-N 0 0 345.403 1.366 10 0 EDAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1cnccn1 ZINC000668880068 486292757 /nfs/dbraw/zinc/29/27/57/486292757.db2.gz LRWDROSVSNTPKT-HUUCEWRRSA-N 0 0 329.404 1.819 10 0 EDAERN O=C(CC1CC(c2ccccc2)C1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671500589 486629069 /nfs/dbraw/zinc/62/90/69/486629069.db2.gz SWKDUCQPOBZYGP-GXOAENINSA-N 0 0 340.427 1.825 10 0 EDAERN C[C@@]1(C(=O)NCc2cccc(F)c2)CCCN(S(C)(=O)=O)C1 ZINC000065059609 490996822 /nfs/dbraw/zinc/99/68/22/490996822.db2.gz ZHFHXOWMEBENSU-OAHLLOKOSA-N 0 0 328.409 1.504 10 0 EDAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000122189141 491000282 /nfs/dbraw/zinc/00/02/82/491000282.db2.gz NOBXSXNOFQRXNF-GJZGRUSLSA-N 0 0 327.450 1.555 10 0 EDAERN C[C@@H](CNS(=O)(=O)c1c(Cl)nc2ccccn21)[S@](C)=O ZINC000156035839 534071933 /nfs/dbraw/zinc/07/19/33/534071933.db2.gz XZYQFNWVQUZUIF-WPCRTTGESA-N 0 0 335.838 1.033 10 0 EDAERN COC(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000175002375 534208273 /nfs/dbraw/zinc/20/82/73/534208273.db2.gz WFUPFAFAGVVQKO-CQSZACIVSA-N 0 0 329.360 1.934 10 0 EDAERN COC(=O)[C@@H](C)CN(C)C(=O)c1cc(N)cc(Br)c1 ZINC000165658697 534210090 /nfs/dbraw/zinc/21/00/90/534210090.db2.gz ANBABGPFMOKOOE-QMMMGPOBSA-N 0 0 329.194 1.912 10 0 EDAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCC(=O)N(C)C ZINC000193505226 517808093 /nfs/dbraw/zinc/80/80/93/517808093.db2.gz RLKLLNMSZZPBFJ-WMLDXEAASA-N 0 0 347.459 1.816 10 0 EDAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)n1 ZINC000174770867 534437326 /nfs/dbraw/zinc/43/73/26/534437326.db2.gz NQTDEVRFNVLGQH-DOMZBBRYSA-N 0 0 330.388 1.317 10 0 EDAERN O=C(Nc1ncccc1Br)[C@H]1CCCCS1(=O)=O ZINC000168505880 534474984 /nfs/dbraw/zinc/47/49/84/534474984.db2.gz VABWQOVAYYAECK-SECBINFHSA-N 0 0 333.207 1.750 10 0 EDAERN Cc1noc2ncc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)cc12 ZINC000173827201 534489503 /nfs/dbraw/zinc/48/95/03/534489503.db2.gz RNYHBGJPSKOLQE-ABAIWWIYSA-N 0 0 330.388 1.324 10 0 EDAERN O=C([O-])CC[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000167318751 534492553 /nfs/dbraw/zinc/49/25/53/534492553.db2.gz TZQGIWLQGAPXTB-UHFFFAOYSA-N 0 0 328.210 1.436 10 0 EDAERN Cc1nc(S(N)(=O)=O)cn1Cc1cc(F)cc(Br)c1 ZINC000159390305 534522472 /nfs/dbraw/zinc/52/24/72/534522472.db2.gz WGYPARVRSJWUFI-UHFFFAOYSA-N 0 0 348.197 1.789 10 0 EDAERN Ic1cncnc1I ZINC000163227269 534542921 /nfs/dbraw/zinc/54/29/21/534542921.db2.gz IMBWLCIZASWXHT-UHFFFAOYSA-N 0 0 331.882 1.686 10 0 EDAERN O=C(NC[C@@H]1CCc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173909241 534599541 /nfs/dbraw/zinc/59/95/41/534599541.db2.gz PRNGVMDSXHITFA-DLBZAZTESA-N 0 0 329.444 1.833 10 0 EDAERN O=C(NCc1cccnc1)[C@@H]1CCC[C@@H]1C(=O)NCc1cccnc1 ZINC000152975539 534684991 /nfs/dbraw/zinc/68/49/91/534684991.db2.gz CUJFUWLTVIAVCI-CALCHBBNSA-N 0 0 338.411 1.826 10 0 EDAERN Cc1ncc(CN2CCN(C(=O)NCCc3ccccn3)CC2)s1 ZINC000171896438 534735615 /nfs/dbraw/zinc/73/56/15/534735615.db2.gz JSBAGULOOOCWDU-UHFFFAOYSA-N 0 0 345.472 1.916 10 0 EDAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ncccc3OC(C)C)CCO2)c1 ZINC000176050029 534747574 /nfs/dbraw/zinc/74/75/74/534747574.db2.gz KMQALASGANACBA-HNNXBMFYSA-N 0 0 344.415 1.915 10 0 EDAERN Cc1cccnc1CNC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000171582174 534847886 /nfs/dbraw/zinc/84/78/86/534847886.db2.gz YCJGSNUDZLVUHM-LBPRGKRZSA-N 0 0 348.428 1.598 10 0 EDAERN CC(C)(C)c1nc(CN2CCN([C@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000333039036 534898740 /nfs/dbraw/zinc/89/87/40/534898740.db2.gz CCANNAKNUYYNMR-AWEZNQCLSA-N 0 0 347.463 1.248 10 0 EDAERN CC(C)(C)c1ncc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000173894893 526882307 /nfs/dbraw/zinc/88/23/07/526882307.db2.gz FPCKAKAOMIYMHX-AWEZNQCLSA-N 0 0 333.436 1.713 10 0 EDAERN C=CC(=O)NCCNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000171833767 526929523 /nfs/dbraw/zinc/92/95/23/526929523.db2.gz BMSMHBBDJDCPLJ-XJKSGUPXSA-N 0 0 331.416 1.250 10 0 EDAERN CC(=O)Nc1cc(S(=O)(=O)N[C@H](CO)c2ccccc2)ccc1C ZINC000158449419 526930470 /nfs/dbraw/zinc/93/04/70/526930470.db2.gz NTSXKPVGPCAZSB-QGZVFWFLSA-N 0 0 348.424 1.965 10 0 EDAERN CC(=O)Nc1cccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173783009 527055005 /nfs/dbraw/zinc/05/50/05/527055005.db2.gz YUGZGJBPHYDJLI-KRWDZBQOSA-N 0 0 346.431 1.261 10 0 EDAERN CCO[C@@H]1C[C@@H](NC(=O)NCCc2cccnc2)C12CCOCC2 ZINC000185512619 527817423 /nfs/dbraw/zinc/81/74/23/527817423.db2.gz ZQZGYJQDQFBFBH-HZPDHXFCSA-N 0 0 333.432 1.898 10 0 EDAERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000171360224 527951654 /nfs/dbraw/zinc/95/16/54/527951654.db2.gz YHTLVTNIJNMHFW-HNNXBMFYSA-N 0 0 346.431 1.959 10 0 EDAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000132223512 528145568 /nfs/dbraw/zinc/14/55/68/528145568.db2.gz VMLPFKARPYNPKF-HUUCEWRRSA-N 0 0 329.400 1.582 10 0 EDAERN CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N(C)C)ccc1O ZINC000181824238 528188791 /nfs/dbraw/zinc/18/87/91/528188791.db2.gz ZSXWKVIQIPKKKL-QSYFUGGGSA-N 0 0 332.400 1.883 10 0 EDAERN CCN(CC)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000174853479 528201690 /nfs/dbraw/zinc/20/16/90/528201690.db2.gz HVDGZXPKYKMCOH-CYBMUJFWSA-N 0 0 328.438 1.135 10 0 EDAERN CC(C)Oc1cccnc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000176049385 528265221 /nfs/dbraw/zinc/26/52/21/528265221.db2.gz BWZFOCSRCYTRHR-AWEZNQCLSA-N 0 0 330.388 1.607 10 0 EDAERN CCOC(=O)c1cnc2c(cnn2C)c1N(C)Cc1noc(C)n1 ZINC000129060263 528306883 /nfs/dbraw/zinc/30/68/83/528306883.db2.gz LJACRYKTXDLGRY-UHFFFAOYSA-N 0 0 330.348 1.473 10 0 EDAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)C1 ZINC000151705615 528372113 /nfs/dbraw/zinc/37/21/13/528372113.db2.gz ODPUUMURECMYFW-GJZGRUSLSA-N 0 0 347.463 1.894 10 0 EDAERN CCN[C@@H](c1cc2c(cc1Cl)NC(=O)C2)[C@H](C)S(C)(=O)=O ZINC000168249515 528390920 /nfs/dbraw/zinc/39/09/20/528390920.db2.gz FDOPULBFZHUEQZ-RMLUDKJBSA-N 0 0 330.837 1.918 10 0 EDAERN CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000154146077 528399520 /nfs/dbraw/zinc/39/95/20/528399520.db2.gz KMZNFFXKQNJWHD-GOEBONIOSA-N 0 0 334.416 1.482 10 0 EDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCCn1ccnc1)CC2 ZINC000181352845 528474831 /nfs/dbraw/zinc/47/48/31/528474831.db2.gz BAXLHSWETZMDHH-ZDUSSCGKSA-N 0 0 331.424 1.302 10 0 EDAERN CCCNc1ncc(S(=O)(=O)NCC[S@@](C)=O)cc1Cl ZINC000159072016 528573952 /nfs/dbraw/zinc/57/39/52/528573952.db2.gz ORVVBCIYWAPUGN-IBGZPJMESA-N 0 0 339.870 1.214 10 0 EDAERN CCOC(=O)C1CCN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1 ZINC000153502644 528637791 /nfs/dbraw/zinc/63/77/91/528637791.db2.gz YZDCLWZJPZAFKD-LBPRGKRZSA-N 0 0 349.435 1.660 10 0 EDAERN CC(C)n1nnnc1C[S@](=O)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000176565435 528703719 /nfs/dbraw/zinc/70/37/19/528703719.db2.gz RHXUDUJKSQQBGG-AUADJRAKSA-N 0 0 326.426 1.944 10 0 EDAERN CCOCCN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@@H]1C ZINC000154806236 528743834 /nfs/dbraw/zinc/74/38/34/528743834.db2.gz BTJAIHPOMFFTEM-ZDUSSCGKSA-N 0 0 336.440 1.117 10 0 EDAERN CCOCCNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000178512703 528774330 /nfs/dbraw/zinc/77/43/30/528774330.db2.gz JRQORGIONNWYHP-ZIAGYGMSSA-N 0 0 341.477 1.846 10 0 EDAERN CCCS(=O)(=O)c1ccccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171586444 528821737 /nfs/dbraw/zinc/82/17/37/528821737.db2.gz CDVNQYXOVHHLRE-CQSZACIVSA-N 0 0 336.457 1.791 10 0 EDAERN CCCn1cc(CN2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cn1 ZINC000171569951 528840915 /nfs/dbraw/zinc/84/09/15/528840915.db2.gz QZWNWIUUMBCJHR-OAHLLOKOSA-N 0 0 345.451 1.180 10 0 EDAERN CCOC(=O)CS(=O)(=O)Cc1ccc(Br)c(N)c1 ZINC000159482218 528850726 /nfs/dbraw/zinc/85/07/26/528850726.db2.gz KHWVMDCWYVMZDI-UHFFFAOYSA-N 0 0 336.207 1.509 10 0 EDAERN CCC1(CC)NC(=O)CN(Cc2ccc(Br)cn2)C1=O ZINC000168909795 529088403 /nfs/dbraw/zinc/08/84/03/529088403.db2.gz ZPYYODKPDZROSZ-UHFFFAOYSA-N 0 0 340.221 1.861 10 0 EDAERN CCc1cccc(CC)c1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177635735 529164187 /nfs/dbraw/zinc/16/41/87/529164187.db2.gz JIFPAQBHEPXCQQ-CQSZACIVSA-N 0 0 341.415 1.473 10 0 EDAERN CC[C@H](C)[C@H]1NC(=O)CN(Cc2cncc(Br)c2)C1=O ZINC000168905500 529267758 /nfs/dbraw/zinc/26/77/58/529267758.db2.gz ABONFOQGOLDWJY-TVQRCGJNSA-N 0 0 340.221 1.717 10 0 EDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(C(N)=S)cc2)CCS1 ZINC000157538382 529300202 /nfs/dbraw/zinc/30/02/02/529300202.db2.gz HUCOWJILXDEKRY-NSHDSACASA-N 0 0 330.500 1.837 10 0 EDAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H](N2CCOCC2)C1 ZINC000247236803 534924369 /nfs/dbraw/zinc/92/43/69/534924369.db2.gz XKZHJHMEORIELR-GOEBONIOSA-N 0 0 345.443 1.623 10 0 EDAERN CC(C)S(=O)(=O)CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246736462 535095415 /nfs/dbraw/zinc/09/54/15/535095415.db2.gz PCFNCJXWJVXEON-DOMZBBRYSA-N 0 0 333.400 1.896 10 0 EDAERN CCOCCCNC(=O)[C@H](C)S(=O)(=O)Cc1nccn1C(C)C ZINC000195519989 535544363 /nfs/dbraw/zinc/54/43/63/535544363.db2.gz ACRAOCJXMMBZCJ-ZDUSSCGKSA-N 0 0 345.465 1.310 10 0 EDAERN CCOc1ncccc1CNC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000152678036 535596454 /nfs/dbraw/zinc/59/64/54/535596454.db2.gz OULAVIIIZQREHV-CYBMUJFWSA-N 0 0 344.419 1.969 10 0 EDAERN CN(C(=O)CCOC[C@H]1CCCO1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246195612 535973989 /nfs/dbraw/zinc/97/39/89/535973989.db2.gz VCFHHCDRVWPXDJ-HZPDHXFCSA-N 0 0 348.447 1.490 10 0 EDAERN CN[C@@H](C(=O)NC[C@H](O)c1cccc(OC(C)C)c1)c1cnn(C)c1 ZINC000262044594 536335588 /nfs/dbraw/zinc/33/55/88/536335588.db2.gz GSFHTFAMSKDRGL-DLBZAZTESA-N 0 0 346.431 1.318 10 0 EDAERN CN[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1cnn(C)c1 ZINC000262498549 536385677 /nfs/dbraw/zinc/38/56/77/536385677.db2.gz IKRZOWAWQKTHPG-GTNSWQLSSA-N 0 0 341.415 1.077 10 0 EDAERN COCc1ccc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC000171759261 536744590 /nfs/dbraw/zinc/74/45/90/536744590.db2.gz ZEYJWEYWWUEWFW-UHFFFAOYSA-N 0 0 344.415 1.873 10 0 EDAERN COc1ccc(C)cc1CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188779063 536800598 /nfs/dbraw/zinc/80/05/98/536800598.db2.gz IFSIEUZVLHNNEV-UHFFFAOYSA-N 0 0 345.443 1.856 10 0 EDAERN COc1ccc(S(=O)(=O)N2CCn3c(C)nnc3C2)cc1Cl ZINC000074815991 536872986 /nfs/dbraw/zinc/87/29/86/536872986.db2.gz ZCUZGLQXCANPRH-UHFFFAOYSA-N 0 0 342.808 1.453 10 0 EDAERN COCCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000247001899 536873534 /nfs/dbraw/zinc/87/35/34/536873534.db2.gz BMSSQRUUFCIRRC-YESZJQIVSA-N 0 0 325.497 1.676 10 0 EDAERN CN(C)c1cc2c(nn1)CCN(Cc1nc(Br)c[nH]1)C2 ZINC000891950691 590702892 /nfs/dbraw/zinc/70/28/92/590702892.db2.gz RSAIXFSXELJYLR-UHFFFAOYSA-N 0 0 337.225 1.587 10 0 EDAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)Nc2ccncc2)CCC(=O)N1C1CC1 ZINC000888076226 590930389 /nfs/dbraw/zinc/93/03/89/590930389.db2.gz KASPATMHVNKTIQ-HOCLYGCPSA-N 0 0 339.399 1.318 10 0 EDAERN CC(=O)N1CC(OCc2nnc([C@H]3Cc4cc(F)ccc4O3)o2)C1 ZINC000888076654 590931179 /nfs/dbraw/zinc/93/11/79/590931179.db2.gz BWCBVFMFHXRPLI-CQSZACIVSA-N 0 0 333.319 1.632 10 0 EDAERN Cn1c(CN[C@H]2CCO[C@@H]2c2ccnn2CC2CC2)nnc1C1CC1 ZINC000888078216 590934702 /nfs/dbraw/zinc/93/47/02/590934702.db2.gz AEZPRBLDGZSIPQ-YOEHRIQHSA-N 0 0 342.447 1.919 10 0 EDAERN COc1ccc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1C1CC1 ZINC000888079206 590936075 /nfs/dbraw/zinc/93/60/75/590936075.db2.gz KUEDGIJILAXYSQ-ZMSDIMECSA-N 0 0 327.384 1.873 10 0 EDAERN CCN1CCN(C2CCN(c3nc(Cl)nc4nc[nH]c43)CC2)C1=O ZINC000892375981 590999650 /nfs/dbraw/zinc/99/96/50/590999650.db2.gz VLWZQJPYXCPKLP-UHFFFAOYSA-N 0 0 349.826 1.733 10 0 EDAERN CC(C)c1nccn1CCC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093695 591023087 /nfs/dbraw/zinc/02/30/87/591023087.db2.gz OJVLYQGNLBRFHK-LSDHHAIUSA-N 0 0 347.419 1.093 10 0 EDAERN Cc1c(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)nn2c1OCCC2 ZINC000888095004 591025450 /nfs/dbraw/zinc/02/54/50/591025450.db2.gz JKEUOWZAXCKEGA-UONOGXRCSA-N 0 0 345.403 1.437 10 0 EDAERN Cc1cc(C)c(C(=O)N2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)[nH]1 ZINC000888098200 591028169 /nfs/dbraw/zinc/02/81/69/591028169.db2.gz GZZLNYLYSTYTTG-LBPRGKRZSA-N 0 0 343.387 1.163 10 0 EDAERN Cc1cc(CN2C[C@H](C(=O)N3CCOCC3)[C@@H](C(F)(F)F)C2)no1 ZINC000888103186 591031484 /nfs/dbraw/zinc/03/14/84/591031484.db2.gz NIKREONGANYKOW-STQMWFEESA-N 0 0 347.337 1.452 10 0 EDAERN CCOC(=O)c1cnc(CC)nc1N1CC[C@@H](c2nc(C)no2)C1 ZINC000893785533 591097632 /nfs/dbraw/zinc/09/76/32/591097632.db2.gz STNFCHPNZYTQRM-LLVKDONJSA-N 0 0 331.376 1.901 10 0 EDAERN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000896173199 591370345 /nfs/dbraw/zinc/37/03/45/591370345.db2.gz KUAUVUYUNFONSK-IUODEOHRSA-N 0 0 325.372 1.316 10 0 EDAERN O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899086025 591678885 /nfs/dbraw/zinc/67/88/85/591678885.db2.gz XAWDAVZCRYBMKK-QWHCGFSZSA-N 0 0 342.403 1.470 10 0 EDAERN CC(=O)NCCCOC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000103702186 593127476 /nfs/dbraw/zinc/12/74/76/593127476.db2.gz JXHLZMNVSOONME-INIZCTEOSA-N 0 0 334.416 1.819 10 0 EDAERN CCn1ccnc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c1=O ZINC000818144142 593674410 /nfs/dbraw/zinc/67/44/10/593674410.db2.gz AAQBCRYSCVNWJH-KRWDZBQOSA-N 0 0 345.403 1.098 10 0 EDAERN