smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)Nc4ccccc4)CO[C@H]23)c1 ZINC000004222851 291341023 /nfs/dbraw/zinc/34/10/23/291341023.db2.gz TVXAJXFWIGKRKR-MTQWCTHYSA-N 0 0 425.441 2.794 40 0 biogenic,in-vitro IFABRN CC(C)CN1C(=O)CO[C@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)[C@H]1CO ZINC000072321147 291341587 /nfs/dbraw/zinc/34/15/87/291341587.db2.gz LTBYQLRRNCHLCE-IFMALSPDSA-N 0 0 432.542 2.545 40 0 biogenic,in-vitro IFABRN CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 ZINC000253399502 291341874 /nfs/dbraw/zinc/34/18/74/291341874.db2.gz JNEHSIUTRFZXFD-NRFANRHFSA-N 0 0 441.597 2.615 40 0 biogenic,in-vitro IFABRN CCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 ZINC000072321085 291342027 /nfs/dbraw/zinc/34/20/27/291342027.db2.gz ACQOLJNZVUHVTR-IFMALSPDSA-N 0 0 432.542 2.689 40 0 biogenic,in-vitro IFABRN CC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NC1CCCC1 ZINC000003841067 291340344 /nfs/dbraw/zinc/34/03/44/291340344.db2.gz JIUCNELOXZRWRN-MVAUCRKUSA-N 0 0 449.617 2.966 40 0 biogenic,in-vitro IFABRN CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1 ZINC000008635999 291342757 /nfs/dbraw/zinc/34/27/57/291342757.db2.gz LWTBHAJVNSEDPH-HKUYNNGSSA-N 0 0 436.574 2.525 40 0 biogenic,in-vitro IFABRN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2nc3ccccc3s2)CN(C)C(=O)C1 ZINC000096113270 291342250 /nfs/dbraw/zinc/34/22/50/291342250.db2.gz OGRCFGVQYVFKJP-HZPDHXFCSA-N 0 0 430.574 2.912 40 0 biogenic,in-vitro IFABRN CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C ZINC000008635377 291342265 /nfs/dbraw/zinc/34/22/65/291342265.db2.gz JXOXGXQIRCBKEI-NSHGMRRFSA-N 0 0 432.590 2.603 40 0 biogenic,in-vitro IFABRN COCC(=O)N1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]2C1 ZINC000004235897 291344229 /nfs/dbraw/zinc/34/42/29/291344229.db2.gz IRHSSUWAYPUMKP-GOSISDBHSA-N 0 0 447.413 2.624 40 0 biogenic,in-vitro IFABRN COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)CCCC(=O)[O-])n(C)n2)cc1 ZINC000008635364 291346083 /nfs/dbraw/zinc/34/60/83/291346083.db2.gz LNJWWKOPGLRVAR-NSHGMRRFSA-N 0 0 440.544 2.645 40 0 biogenic,in-vitro IFABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)c3ccco3)c2=O)cc1 ZINC000004236133 291346195 /nfs/dbraw/zinc/34/61/95/291346195.db2.gz QVVFPQLKQCNVCZ-DOTOQJQBSA-N 0 0 433.464 2.962 40 0 biogenic,in-vitro IFABRN CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H](O)[C@@H]1O ZINC000106611428 291345179 /nfs/dbraw/zinc/34/51/79/291345179.db2.gz VMCFTVWDHVWSOB-ANXROKJOSA-N 0 0 433.589 2.782 40 0 biogenic,in-vitro IFABRN COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3ccccc3)CN(C)C(=O)C2)cc1 ZINC000096113299 291346751 /nfs/dbraw/zinc/34/67/51/291346751.db2.gz NFGBWJZPWHNHNJ-NHCUHLMSSA-N 0 0 437.540 2.759 40 0 biogenic,in-vitro IFABRN COc1ccc2[nH]c(CO[C@H]3CN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]3F)nc2c1 ZINC000096112273 291347119 /nfs/dbraw/zinc/34/71/19/291347119.db2.gz BLIJOTCTRVRJAF-XLIONFOSSA-N 0 0 433.505 2.714 40 0 biogenic,in-vitro IFABRN O=C(COc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 ZINC000072321244 291349459 /nfs/dbraw/zinc/34/94/59/291349459.db2.gz PZHFFDYRMIDMKP-RCZVLFRGSA-N 0 0 447.491 2.560 40 0 biogenic,in-vitro IFABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1)c1ccccn1 ZINC000004236204 291350996 /nfs/dbraw/zinc/35/09/96/291350996.db2.gz XEHJDWJLIVDRFU-DLBZAZTESA-N 0 0 435.528 2.957 40 0 biogenic,in-vitro IFABRN S=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1)NC1CCCCC1 ZINC000005410255 291351822 /nfs/dbraw/zinc/35/18/22/291351822.db2.gz CBQVJGFATGHJLW-UWHLTILDSA-N 0 0 433.622 2.905 40 0 biogenic,in-vitro IFABRN CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000006162145 193886973 /nfs/dbraw/zinc/88/69/73/193886973.db2.gz PZOQFGGWTOCBKV-UHFFFAOYSA-N 0 0 429.546 2.581 40 0 IFABRN CC(C)CS(=O)(=O)N1CCC2(C[C@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000096242209 193941395 /nfs/dbraw/zinc/94/13/95/193941395.db2.gz COQWJAYSNONWCX-IBGZPJMESA-N 0 0 434.602 2.742 40 0 IFABRN CC(C)CS(=O)(=O)N1CCC2(C[C@H](CC(=O)N3CCN(C)CC3)c3ccccc32)CC1 ZINC000096242287 193941703 /nfs/dbraw/zinc/94/17/03/193941703.db2.gz HDTPPOABLGTERO-FQEVSTJZSA-N 0 0 447.645 2.657 40 0 IFABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000408603066 193972453 /nfs/dbraw/zinc/97/24/53/193972453.db2.gz FDYWQSRKPASJQD-UHFFFAOYSA-N 0 0 447.557 2.937 40 0 IFABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 ZINC000408605119 193974111 /nfs/dbraw/zinc/97/41/11/193974111.db2.gz MQYQQYQHOSMDDM-QHCPKHFHSA-N 0 0 438.549 2.944 40 0 IFABRN CC(=O)Nc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000408615763 193981864 /nfs/dbraw/zinc/98/18/64/193981864.db2.gz RVPGGSISFCMJBW-UHFFFAOYSA-N 0 0 440.319 2.812 40 0 IFABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(C(=O)OC)ccc2Cl)Oc2ccccc21 ZINC000010009224 132333773 /nfs/dbraw/zinc/33/37/73/132333773.db2.gz ZAGQBBBIXIAKIO-KRWDZBQOSA-N 0 0 438.889 2.682 40 0 IFABRN COc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1 ZINC000013150896 132346043 /nfs/dbraw/zinc/34/60/43/132346043.db2.gz DIXMDGZTLPNOCY-REWPJTCUSA-N 0 0 434.544 2.772 40 0 IFABRN COCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccoc1C ZINC000013512518 132349088 /nfs/dbraw/zinc/34/90/88/132349088.db2.gz FGISIGZGZUJQQX-UHFFFAOYSA-N 0 0 441.557 2.934 40 0 IFABRN O=C(N(c1ccccc1)c1ccccc1)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1 ZINC000013564784 132350115 /nfs/dbraw/zinc/35/01/15/132350115.db2.gz AVAIHPQQTNFXQZ-UHFFFAOYSA-N 0 0 431.496 2.923 40 0 IFABRN CC(=O)N[C@@H]1[C@@H](Oc2cccc3ccccc32)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O ZINC000035736503 519691100 /nfs/dbraw/zinc/69/11/00/519691100.db2.gz QPPZFMUEXZZDBD-RFXJPFPRSA-N 0 0 435.476 2.923 40 0 IFABRN CC(=O)N[C@@H]1[C@@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1cccc2ccccc21 ZINC000035056766 519691130 /nfs/dbraw/zinc/69/11/30/519691130.db2.gz FYTGFTLKWMSTHB-NENAYYCWSA-N 0 0 425.437 2.516 40 0 IFABRN CC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000012711973 519708573 /nfs/dbraw/zinc/70/85/73/519708573.db2.gz SESOGVISVMROGD-UHFFFAOYSA-N 0 0 429.531 2.687 40 0 IFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncncc3-c3cc(C)no3)C2)cc1 ZINC000012127891 519730349 /nfs/dbraw/zinc/73/03/49/519730349.db2.gz IFVHSCJJPHVBGJ-MRXNPFEDSA-N 0 0 441.513 2.967 40 0 IFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3-c3cc(C)no3)CC2)cc1 ZINC000012087325 519730439 /nfs/dbraw/zinc/73/04/39/519730439.db2.gz LSFOKZLRTWNFAA-UHFFFAOYSA-N 0 0 429.502 2.900 40 0 IFABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000022228737 519732851 /nfs/dbraw/zinc/73/28/51/519732851.db2.gz XPNBWCUHIQANLI-UHFFFAOYSA-N 0 0 431.558 2.794 40 0 IFABRN CC(C)C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000035736487 519770092 /nfs/dbraw/zinc/77/00/92/519770092.db2.gz ZCHUQDGMAGXSQB-BDXSIMOUSA-N 0 0 444.532 2.700 40 0 IFABRN CC(C)C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012765739 519770118 /nfs/dbraw/zinc/77/01/18/519770118.db2.gz ZCHUQDGMAGXSQB-FJIDUMEYSA-N 0 0 444.532 2.700 40 0 IFABRN CC(C)Oc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000020458318 519779618 /nfs/dbraw/zinc/77/96/18/519779618.db2.gz KAGBCJQQOKIVFP-LJQANCHMSA-N 0 0 438.933 2.971 40 0 IFABRN CC(C)n1c2nc(-c3ccco3)nc(C(N)=O)c2n(CC(=O)c2ccc(F)cc2F)c1=O ZINC000012220583 519928838 /nfs/dbraw/zinc/92/88/38/519928838.db2.gz INXZMTBNKYEKKT-UHFFFAOYSA-N 0 0 441.394 2.694 40 0 IFABRN CCCOc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1 ZINC000022388856 520383292 /nfs/dbraw/zinc/38/32/92/520383292.db2.gz JZWKCPBIEIXDRT-UHFFFAOYSA-N 0 0 434.514 2.975 40 0 IFABRN CCCOc1ccccc1CCCNC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000022332614 520473682 /nfs/dbraw/zinc/47/36/82/520473682.db2.gz FLQPIAYUVZWLQF-UHFFFAOYSA-N 0 0 434.558 2.999 40 0 IFABRN CC1=CC=CN2C1=NC(=O)C[C@]2(C)C(=O)N(CC(=O)NCCc1ccccc1)C1CCCC1 ZINC000035312914 520853538 /nfs/dbraw/zinc/85/35/38/520853538.db2.gz FBUUIMKFPHJIAB-AREMUKBSSA-N 0 0 448.567 2.980 40 0 IFABRN CCOc1ccc(CCCNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 ZINC000022336318 520944551 /nfs/dbraw/zinc/94/45/51/520944551.db2.gz FGFWOIZGSQKWPY-UHFFFAOYSA-N 0 0 434.558 2.917 40 0 IFABRN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1 ZINC000012222167 520949894 /nfs/dbraw/zinc/94/98/94/520949894.db2.gz OZPREQLEYXVHND-UHFFFAOYSA-N 0 0 430.530 2.561 40 0 IFABRN CCOc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1OCC ZINC000044905207 520992397 /nfs/dbraw/zinc/99/23/97/520992397.db2.gz QGZLJCLVSOVXGO-NRFANRHFSA-N 0 0 448.541 2.636 40 0 IFABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 ZINC000020453199 521251816 /nfs/dbraw/zinc/25/18/16/521251816.db2.gz CQKOZGMRTIBHKY-INIZCTEOSA-N 0 0 448.541 2.890 40 0 IFABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)cn2C ZINC000022237390 521295685 /nfs/dbraw/zinc/29/56/85/521295685.db2.gz XWXNHWARIJCMSU-UHFFFAOYSA-N 0 0 438.436 2.763 40 0 IFABRN CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245229783 521353006 /nfs/dbraw/zinc/35/30/06/521353006.db2.gz FNDRMHMJFIHCSU-ZBNTXBBCSA-N 0 0 438.455 2.800 40 0 IFABRN CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(S(=O)(=O)CC)C1 ZINC000012156714 521356539 /nfs/dbraw/zinc/35/65/39/521356539.db2.gz NRFPUAWEXXZEHZ-PXNSSMCTSA-N 0 0 426.510 2.704 40 0 IFABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)c1 ZINC000022395815 521472447 /nfs/dbraw/zinc/47/24/47/521472447.db2.gz KUJFLROYIREMIW-UHFFFAOYSA-N 0 0 434.514 2.975 40 0 IFABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1C(=O)OC)S(C)(=O)=O ZINC000022252079 521480422 /nfs/dbraw/zinc/48/04/22/521480422.db2.gz IEVNCSGOKOFFRU-UHFFFAOYSA-N 0 0 436.486 2.529 40 0 IFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccccc1OC ZINC000022253128 521658500 /nfs/dbraw/zinc/65/85/00/521658500.db2.gz IYSLIKCEADXUET-CQSZACIVSA-N 0 0 436.530 2.989 40 0 IFABRN CCS(=O)(=O)N(CC(=O)N(C)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000020494530 521659254 /nfs/dbraw/zinc/65/92/54/521659254.db2.gz YRISSBNUPBLDFS-UHFFFAOYSA-N 0 0 438.933 2.926 40 0 IFABRN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000022246567 521666182 /nfs/dbraw/zinc/66/61/82/521666182.db2.gz QKLWCJVEMHMVIS-JOCHJYFZSA-N 0 0 443.613 2.666 40 0 IFABRN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000022246570 521668662 /nfs/dbraw/zinc/66/86/62/521668662.db2.gz QKLWCJVEMHMVIS-QFIPXVFZSA-N 0 0 443.613 2.666 40 0 IFABRN CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(O)c3)o2)cc1 ZINC000035291694 521684555 /nfs/dbraw/zinc/68/45/55/521684555.db2.gz WMSQFZFRUMHYKK-UHFFFAOYSA-N 0 0 434.499 2.935 40 0 IFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 ZINC000020459530 521982148 /nfs/dbraw/zinc/98/21/48/521982148.db2.gz CYEKERCYZMWDMR-UHFFFAOYSA-N 0 0 440.861 2.537 40 0 IFABRN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 ZINC000022229975 522113697 /nfs/dbraw/zinc/11/36/97/522113697.db2.gz YZAZFEVNQSQCLT-SFHVURJKSA-N 0 0 432.498 2.582 40 0 IFABRN COC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 ZINC000022229978 522117091 /nfs/dbraw/zinc/11/70/91/522117091.db2.gz YZAZFEVNQSQCLT-GOSISDBHSA-N 0 0 432.498 2.582 40 0 IFABRN COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(c2cc(C)ccc2C)CC1 ZINC000035289872 522158149 /nfs/dbraw/zinc/15/81/49/522158149.db2.gz NJZMDBULHNTRRI-QHCPKHFHSA-N 0 0 436.560 2.857 40 0 IFABRN CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3cc4ncccc4cn3)CC2)c1 ZINC000012224298 522287901 /nfs/dbraw/zinc/28/79/01/522287901.db2.gz ITESTVADRRLOAF-UHFFFAOYSA-N 0 0 428.489 2.697 40 0 IFABRN CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1c2c(sc1-n1cnnn1)CCCC2 ZINC000012185279 522639508 /nfs/dbraw/zinc/63/95/08/522639508.db2.gz SSYUZKZBQZDAKF-HNNXBMFYSA-N 0 0 449.540 2.521 40 0 IFABRN CCc1nnc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)s1 ZINC000013567147 522763861 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0 IFABRN COC(=O)c1cc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(C(=O)OC)c1 ZINC000408563489 555892676 /nfs/dbraw/zinc/89/26/76/555892676.db2.gz NLHIURKJVNXZNO-VQHVLOKHSA-N 0 0 429.425 2.938 40 0 IFABRN COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000408556590 555894308 /nfs/dbraw/zinc/89/43/08/555894308.db2.gz JPRYVHYQMBIOHB-LBPRGKRZSA-N 0 0 440.905 2.928 40 0 IFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2OC)c(Cl)c1 ZINC000408557543 555895648 /nfs/dbraw/zinc/89/56/48/555895648.db2.gz NMWFHSQIJITUKF-UHFFFAOYSA-N 0 0 426.922 2.732 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 ZINC000408557659 555895695 /nfs/dbraw/zinc/89/56/95/555895695.db2.gz HCGKLXWHKUXLJK-HNNXBMFYSA-N 0 0 432.498 2.853 40 0 IFABRN COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000408559296 555898965 /nfs/dbraw/zinc/89/89/65/555898965.db2.gz VAGJJHNUORPSER-GFCCVEGCSA-N 0 0 440.905 2.928 40 0 IFABRN CCOc1cc(C(=S)NCCc2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000408572119 555915626 /nfs/dbraw/zinc/91/56/26/555915626.db2.gz FGSSVWKFBJIVRK-UHFFFAOYSA-N 0 0 428.554 2.831 40 0 IFABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 ZINC000408587437 555937873 /nfs/dbraw/zinc/93/78/73/555937873.db2.gz BWAGRCUXYUBZNF-UHFFFAOYSA-N 0 0 438.933 2.941 40 0 IFABRN CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC ZINC000408586800 555939476 /nfs/dbraw/zinc/93/94/76/555939476.db2.gz RBOBTMXJCAJAFQ-UHFFFAOYSA-N 0 0 437.493 2.914 40 0 IFABRN COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl ZINC000408591722 555952479 /nfs/dbraw/zinc/95/24/79/555952479.db2.gz KAJNYDUSDKYBTQ-GFCCVEGCSA-N 0 0 442.921 2.980 40 0 IFABRN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)CC1 ZINC000408597645 555955610 /nfs/dbraw/zinc/95/56/10/555955610.db2.gz ZUVJZWWNGQTJCT-UHFFFAOYSA-N 0 0 444.557 2.834 40 0 IFABRN COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl ZINC000408593449 555959667 /nfs/dbraw/zinc/95/96/67/555959667.db2.gz NRNQAHFRMCUEGY-AWEZNQCLSA-N 0 0 426.922 2.979 40 0 IFABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408593678 555959899 /nfs/dbraw/zinc/95/98/99/555959899.db2.gz NCLKUOGNXOEYES-OAHLLOKOSA-N 0 0 434.514 2.814 40 0 IFABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)cc1 ZINC000408594317 555960527 /nfs/dbraw/zinc/96/05/27/555960527.db2.gz OKSZAQIBTNXPTI-HNNXBMFYSA-N 0 0 434.514 2.958 40 0 IFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl ZINC000408594262 555960571 /nfs/dbraw/zinc/96/05/71/555960571.db2.gz OFRWJMMQPBLVAJ-GFCCVEGCSA-N 0 0 440.905 2.831 40 0 IFABRN Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000408597304 555965085 /nfs/dbraw/zinc/96/50/85/555965085.db2.gz UTYVEDWQWLAZSK-UHFFFAOYSA-N 0 0 438.933 2.995 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000408601309 555969875 /nfs/dbraw/zinc/96/98/75/555969875.db2.gz FJMNPJXUVBAVKJ-UHFFFAOYSA-N 0 0 434.514 2.911 40 0 IFABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000408610080 555980495 /nfs/dbraw/zinc/98/04/95/555980495.db2.gz UWEHSQBCBJRUHJ-QGZVFWFLSA-N 0 0 449.548 2.629 40 0 IFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000408618381 555981827 /nfs/dbraw/zinc/98/18/27/555981827.db2.gz FYRQQZPMUZMBOV-UHFFFAOYSA-N 0 0 432.542 2.955 40 0 IFABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c1 ZINC000408618471 555982179 /nfs/dbraw/zinc/98/21/79/555982179.db2.gz JNZFFWJCUBNDIC-UHFFFAOYSA-N 0 0 431.558 2.556 40 0 IFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000408619100 555982891 /nfs/dbraw/zinc/98/28/91/555982891.db2.gz LZUSBZXWYZLJLQ-UHFFFAOYSA-N 0 0 447.557 2.890 40 0 IFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC000408616984 555988058 /nfs/dbraw/zinc/98/80/58/555988058.db2.gz BXJYJVWLAOFXFF-UHFFFAOYSA-N 0 0 432.542 2.811 40 0 IFABRN COC(=O)c1c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)sc2c1CCC2 ZINC000408620648 555989614 /nfs/dbraw/zinc/98/96/14/555989614.db2.gz QALKRZUHFAJXTR-UHFFFAOYSA-N 0 0 426.491 2.567 40 0 IFABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1C ZINC000408625417 555995926 /nfs/dbraw/zinc/99/59/26/555995926.db2.gz UVYRRWIKJHIWFQ-UHFFFAOYSA-N 0 0 445.585 2.865 40 0 IFABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C ZINC000408625826 555996296 /nfs/dbraw/zinc/99/62/96/555996296.db2.gz UHAVBISDKYASGF-UHFFFAOYSA-N 0 0 438.933 2.995 40 0 IFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccccc2F)cc1 ZINC000408625929 555996477 /nfs/dbraw/zinc/99/64/77/555996477.db2.gz XLSFGQNVWXSBJT-UHFFFAOYSA-N 0 0 444.532 2.728 40 0 IFABRN COc1cccc(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)c1 ZINC000408627342 555998069 /nfs/dbraw/zinc/99/80/69/555998069.db2.gz ZKCROEZRRXPCAK-UHFFFAOYSA-N 0 0 428.894 2.771 40 0 IFABRN CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc1ccccc1 ZINC000004806388 556012476 /nfs/dbraw/zinc/01/24/76/556012476.db2.gz KNENAMJIAODDGM-RTBURBONSA-N 0 0 426.579 2.615 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1 ZINC000408635492 556013105 /nfs/dbraw/zinc/01/31/05/556013105.db2.gz CEWKIJVXJGCGLK-UHFFFAOYSA-N 0 0 426.922 2.899 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000408635600 556013710 /nfs/dbraw/zinc/01/37/10/556013710.db2.gz FRLMLBMHIJCQPH-UHFFFAOYSA-N 0 0 433.313 2.936 40 0 IFABRN CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 ZINC000408635780 556014072 /nfs/dbraw/zinc/01/40/72/556014072.db2.gz BWIHUCOBWZTFCM-OAHLLOKOSA-N 0 0 432.970 2.682 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408635949 556014372 /nfs/dbraw/zinc/01/43/72/556014372.db2.gz KHBJZILGJFFGAD-UHFFFAOYSA-N 0 0 447.340 2.613 40 0 IFABRN COc1ccc(CN(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000004848224 556015170 /nfs/dbraw/zinc/01/51/70/556015170.db2.gz JXLAMKCPKNMISU-UHFFFAOYSA-N 0 0 426.517 2.752 40 0 IFABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCOC)cc2Cl)cc1 ZINC000408636156 556018658 /nfs/dbraw/zinc/01/86/58/556018658.db2.gz MBNXUPZIDHNSNN-UHFFFAOYSA-N 0 0 426.922 2.845 40 0 IFABRN COC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccc(NC(C)=O)cc3)n2)c1 ZINC000408636768 556019616 /nfs/dbraw/zinc/01/96/16/556019616.db2.gz BXBSWHQKVBOGFG-UHFFFAOYSA-N 0 0 425.470 2.948 40 0 IFABRN COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 ZINC000408645119 556021218 /nfs/dbraw/zinc/02/12/18/556021218.db2.gz KDTPJHSSBRTPON-ZDUSSCGKSA-N 0 0 432.860 2.892 40 0 IFABRN COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 ZINC000408645118 556021223 /nfs/dbraw/zinc/02/12/23/556021223.db2.gz KDTPJHSSBRTPON-CYBMUJFWSA-N 0 0 432.860 2.892 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000408648535 556029332 /nfs/dbraw/zinc/02/93/32/556029332.db2.gz ZAJYFASPIGSSSU-UHFFFAOYSA-N 0 0 447.509 2.826 40 0 IFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(OC)c1 ZINC000408654541 556032840 /nfs/dbraw/zinc/03/28/40/556032840.db2.gz KAVJKNLXMHCPSA-ZDUSSCGKSA-N 0 0 432.860 2.892 40 0 IFABRN COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 ZINC000408654048 556034870 /nfs/dbraw/zinc/03/48/70/556034870.db2.gz JGCOJKPBMBJTDF-CQSZACIVSA-N 0 0 430.844 2.661 40 0 IFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000408658794 556035510 /nfs/dbraw/zinc/03/55/10/556035510.db2.gz RJMKYDIEDQQGRD-RDJZCZTQSA-N 0 0 426.469 2.795 40 0 IFABRN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408662534 556039592 /nfs/dbraw/zinc/03/95/92/556039592.db2.gz FEKVMUKLOUHWOH-UHFFFAOYSA-N 0 0 428.441 2.773 40 0 IFABRN CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(OC)ccc2OC)CC1=O ZINC000408660290 556040405 /nfs/dbraw/zinc/04/04/05/556040405.db2.gz NKIMLVMDGNPBFJ-HNNXBMFYSA-N 0 0 442.468 2.637 40 0 IFABRN CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000408660722 556041036 /nfs/dbraw/zinc/04/10/36/556041036.db2.gz CETCYTRDAJNOGZ-UHFFFAOYSA-N 0 0 427.457 2.944 40 0 IFABRN CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000408661254 556041817 /nfs/dbraw/zinc/04/18/17/556041817.db2.gz FIKKEVNBKXWGPJ-UHFFFAOYSA-N 0 0 425.441 2.748 40 0 IFABRN CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 ZINC000408661510 556042162 /nfs/dbraw/zinc/04/21/62/556042162.db2.gz WDOCOTODRLSNPW-OAHLLOKOSA-N 0 0 443.887 2.578 40 0 IFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 ZINC000408662063 556042949 /nfs/dbraw/zinc/04/29/49/556042949.db2.gz WXHHWPYXQSPFRD-MRXNPFEDSA-N 0 0 443.887 2.632 40 0 IFABRN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)c(OC)c1 ZINC000408662514 556044182 /nfs/dbraw/zinc/04/41/82/556044182.db2.gz JHCSVAHPVURQPL-UHFFFAOYSA-N 0 0 428.441 2.807 40 0 IFABRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 ZINC000408662819 556045372 /nfs/dbraw/zinc/04/53/72/556045372.db2.gz PQFRHPFCQBRXNR-INIZCTEOSA-N 0 0 426.469 2.801 40 0 IFABRN Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1C ZINC000408662984 556045645 /nfs/dbraw/zinc/04/56/45/556045645.db2.gz OMBIOCRYFNSMRD-UHFFFAOYSA-N 0 0 445.269 2.844 40 0 IFABRN 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AYKGVRDFXLTEEH-OAQYLSRUSA-N 0 0 432.542 2.750 40 0 IFABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000018109769 556684247 /nfs/dbraw/zinc/68/42/47/556684247.db2.gz HPNUGHIOVUGCPQ-NVXWUHKLSA-N 0 0 448.516 2.875 40 0 IFABRN O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CCCCC1)C2 ZINC000019014710 556691690 /nfs/dbraw/zinc/69/16/90/556691690.db2.gz NMPHDPHLWQKNGM-VQTJNVASSA-N 0 0 442.560 2.880 40 0 IFABRN CC(=O)N1CCCN(C(=O)c2cc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)no2)CC1 ZINC000019017648 556692479 /nfs/dbraw/zinc/69/24/79/556692479.db2.gz KUESTHNTKGICOL-GOSISDBHSA-N 0 0 442.491 2.528 40 0 IFABRN CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)CCc3cn(C)c4ccccc34)nc2C1 ZINC000019019014 556693073 /nfs/dbraw/zinc/69/30/73/556693073.db2.gz ULTHLOVXTZLIAH-JOCHJYFZSA-N 0 0 447.539 2.875 40 0 IFABRN CCOC(=O)C1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1 ZINC000000785599 556694769 /nfs/dbraw/zinc/69/47/69/556694769.db2.gz QZNNBYHUTYLDFQ-UHFFFAOYSA-N 0 0 437.345 2.561 40 0 IFABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1)c1ccccc1 ZINC000000802417 556696917 /nfs/dbraw/zinc/69/69/17/556696917.db2.gz JURXDQRYEGNLBW-QGZVFWFLSA-N 0 0 425.510 2.816 40 0 IFABRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)ccc1OCC(N)=O ZINC000000814176 556698743 /nfs/dbraw/zinc/69/87/43/556698743.db2.gz QDQOPXNKNUIZPF-OAQYLSRUSA-N 0 0 438.484 2.524 40 0 IFABRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)OC ZINC000000814128 556698771 /nfs/dbraw/zinc/69/87/71/556698771.db2.gz CGIMCOMXQBEAKX-NRFANRHFSA-N 0 0 439.468 2.904 40 0 IFABRN CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 ZINC000019116968 556700308 /nfs/dbraw/zinc/70/03/08/556700308.db2.gz GIGNYQOLKCZXFV-GDBMZVCRSA-N 0 0 425.455 2.923 40 0 IFABRN COc1ccc(C2(C(=O)NCCn3nc4c(C)cc5ccc(OC)cc5n4c3=O)CC2)cc1 ZINC000019126638 556703423 /nfs/dbraw/zinc/70/34/23/556703423.db2.gz QLYFEDCPXMTFGJ-UHFFFAOYSA-N 0 0 446.507 2.823 40 0 IFABRN 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0 448.541 2.588 40 0 IFABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225387487 557717376 /nfs/dbraw/zinc/71/73/76/557717376.db2.gz ROZCGHJNLALSOW-CYBMUJFWSA-N 0 0 440.547 2.722 40 0 IFABRN Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)cc1 ZINC000225401352 557718779 /nfs/dbraw/zinc/71/87/79/557718779.db2.gz FLYJKAPBFYZXTL-OALUTQOASA-N 0 0 427.555 2.969 40 0 IFABRN Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000225411240 557719762 /nfs/dbraw/zinc/71/97/62/557719762.db2.gz HLTIRFVVPLOXKB-RTBURBONSA-N 0 0 427.555 2.969 40 0 IFABRN CNS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000225417247 557720655 /nfs/dbraw/zinc/72/06/55/557720655.db2.gz PYKGLCFYSRZNCF-UHFFFAOYSA-N 0 0 428.514 2.872 40 0 IFABRN CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1OC ZINC000225442077 557723003 /nfs/dbraw/zinc/72/30/03/557723003.db2.gz PAZFCBLOUYXUOR-AWEZNQCLSA-N 0 0 435.318 3.000 40 0 IFABRN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 ZINC000028831906 557724862 /nfs/dbraw/zinc/72/48/62/557724862.db2.gz PDIWQYFBXXLCEI-MRXNPFEDSA-N 0 0 426.469 2.801 40 0 IFABRN CCSc1nnc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)s1 ZINC000225465379 557725858 /nfs/dbraw/zinc/72/58/58/557725858.db2.gz MNKNEZKQZUSQIY-NSHDSACASA-N 0 0 430.577 2.760 40 0 IFABRN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000225476297 557727319 /nfs/dbraw/zinc/72/73/19/557727319.db2.gz FBSALXMKPUEDRR-GOSISDBHSA-N 0 0 446.569 2.988 40 0 IFABRN O=C(NCc1nc(-c2ccccc2)no1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225492748 557729626 /nfs/dbraw/zinc/72/96/26/557729626.db2.gz YGMOLFJNOARDNC-UHFFFAOYSA-N 0 0 444.488 2.593 40 0 IFABRN CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000225496831 557730405 /nfs/dbraw/zinc/73/04/05/557730405.db2.gz YNHVVIFHRQXGDK-UHFFFAOYSA-N 0 0 432.542 2.811 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3OC)CC2)cc1 ZINC000225498788 557730548 /nfs/dbraw/zinc/73/05/48/557730548.db2.gz UPDYWDJGOHLDEZ-UHFFFAOYSA-N 0 0 446.569 2.854 40 0 IFABRN COC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000225527341 557736717 /nfs/dbraw/zinc/73/67/17/557736717.db2.gz BBBNMCIDFGKVSM-QGZVFWFLSA-N 0 0 446.525 2.830 40 0 IFABRN COc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000225537719 557738450 /nfs/dbraw/zinc/73/84/50/557738450.db2.gz LBWPOKPSOAFTIX-SFHVURJKSA-N 0 0 434.533 2.984 40 0 IFABRN COc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000225537749 557738484 /nfs/dbraw/zinc/73/84/84/557738484.db2.gz JWIIBXAUAYFTAA-GOSISDBHSA-N 0 0 434.533 2.984 40 0 IFABRN CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000225539385 557738652 /nfs/dbraw/zinc/73/86/52/557738652.db2.gz MNTSJAKKYYPUNL-UHFFFAOYSA-N 0 0 433.427 2.774 40 0 IFABRN O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1)N1CCOCC1 ZINC000225573756 557745211 /nfs/dbraw/zinc/74/52/11/557745211.db2.gz JIIOTJZKXUAUDJ-UHFFFAOYSA-N 0 0 442.487 2.750 40 0 IFABRN COc1cc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c(OC)cc1Cl ZINC000225615834 557752620 /nfs/dbraw/zinc/75/26/20/557752620.db2.gz GWEAAHMTQMDYFU-UHFFFAOYSA-N 0 0 430.885 2.897 40 0 IFABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000225617429 557752843 /nfs/dbraw/zinc/75/28/43/557752843.db2.gz NKUHHUKNYDRALS-UHFFFAOYSA-N 0 0 434.905 2.669 40 0 IFABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000225635961 557754977 /nfs/dbraw/zinc/75/49/77/557754977.db2.gz DPMRZFPFEULDOR-GOSISDBHSA-N 0 0 436.530 2.600 40 0 IFABRN CCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000225668764 557760197 /nfs/dbraw/zinc/76/01/97/557760197.db2.gz SPFYFFPCMUJHBA-UHFFFAOYSA-N 0 0 435.571 2.808 40 0 IFABRN Cn1c2ccc(S(=O)(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2sc1=O ZINC000225679745 557762074 /nfs/dbraw/zinc/76/20/74/557762074.db2.gz CFBLZUXLYOJLHR-VMPITWQZSA-N 0 0 429.567 2.620 40 0 IFABRN Cn1c2ccc(S(=O)(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2sc1=O ZINC000225684179 557762985 /nfs/dbraw/zinc/76/29/85/557762985.db2.gz BORBVEDFWIGCKR-UHFFFAOYSA-N 0 0 436.902 2.782 40 0 IFABRN CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)s1 ZINC000225684867 557763221 /nfs/dbraw/zinc/76/32/21/557763221.db2.gz RKZPOMCNSUCJHF-HNNXBMFYSA-N 0 0 448.551 2.855 40 0 IFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000225831986 557782729 /nfs/dbraw/zinc/78/27/29/557782729.db2.gz SZPKZUXACVMVSB-SFHVURJKSA-N 0 0 444.513 2.606 40 0 IFABRN O=C(CCc1nc(-c2ccc(I)cc2)no1)NCc1ccncc1 ZINC000225837872 557783587 /nfs/dbraw/zinc/78/35/87/557783587.db2.gz SCHXYOBYDVJUQM-UHFFFAOYSA-N 0 0 434.237 2.985 40 0 IFABRN O=C(CCc1nc(-c2ccc(I)cc2)no1)NCc1cccnc1 ZINC000225837853 557783636 /nfs/dbraw/zinc/78/36/36/557783636.db2.gz RAPJEWCLKBIGLZ-UHFFFAOYSA-N 0 0 434.237 2.985 40 0 IFABRN C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000225840499 557784028 /nfs/dbraw/zinc/78/40/28/557784028.db2.gz GTHFUDRCFARDAA-KRWDZBQOSA-N 0 0 434.533 2.845 40 0 IFABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 ZINC000225883021 557788615 /nfs/dbraw/zinc/78/86/15/557788615.db2.gz HZRBFLVTUYOJNT-SNVBAGLBSA-N 0 0 428.536 2.579 40 0 IFABRN FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCCN2CCOCC2)n1 ZINC000225905745 557790185 /nfs/dbraw/zinc/79/01/85/557790185.db2.gz RYRALOPKQJXUCX-UHFFFAOYSA-N 0 0 427.452 2.906 40 0 IFABRN C[C@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225905636 557790261 /nfs/dbraw/zinc/79/02/61/557790261.db2.gz HJLCFCUXKDIKCU-KBPBESRZSA-N 0 0 446.543 2.596 40 0 IFABRN S=C(NC[C@@H]1CCCO1)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 ZINC000225907515 557790569 /nfs/dbraw/zinc/79/05/69/557790569.db2.gz BDBHIYYIWRQWDA-AWEZNQCLSA-N 0 0 431.591 2.874 40 0 IFABRN C[C@@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccco3)n2)C1 ZINC000225911921 557791297 /nfs/dbraw/zinc/79/12/97/557791297.db2.gz WAXRIAUSESJVOK-IYBDPMFKSA-N 0 0 430.578 2.875 40 0 IFABRN Cc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(N3CCC(C)CC3)n2)o1 ZINC000225914959 557791837 /nfs/dbraw/zinc/79/18/37/557791837.db2.gz SVQLFGLGXYSILC-UHFFFAOYSA-N 0 0 430.578 2.938 40 0 IFABRN CCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1 ZINC000225949687 557796092 /nfs/dbraw/zinc/79/60/92/557796092.db2.gz NVOOZKZZVZCLGE-OAQYLSRUSA-N 0 0 432.498 2.566 40 0 IFABRN CS(=O)(=O)N[C@@H](CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000225952152 557796450 /nfs/dbraw/zinc/79/64/50/557796450.db2.gz AMYDLZYUBGUFEX-FQEVSTJZSA-N 0 0 435.977 2.665 40 0 IFABRN Cc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 ZINC000226001794 557799940 /nfs/dbraw/zinc/79/99/40/557799940.db2.gz KOGFYDOQTWXRIQ-UHFFFAOYSA-N 0 0 445.564 2.796 40 0 IFABRN CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000226037694 557802086 /nfs/dbraw/zinc/80/20/86/557802086.db2.gz GOKONJVGHBDABL-UHFFFAOYSA-N 0 0 432.542 2.977 40 0 IFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)N(C)C)cc3)c2)n1 ZINC000226051059 557802757 /nfs/dbraw/zinc/80/27/57/557802757.db2.gz XLAWDJPLJJJKDP-UHFFFAOYSA-N 0 0 440.525 2.567 40 0 IFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)c1 ZINC000226078316 557804513 /nfs/dbraw/zinc/80/45/13/557804513.db2.gz PGTOZSZKCDMFAV-UHFFFAOYSA-N 0 0 432.542 2.729 40 0 IFABRN COC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O ZINC000033525789 557808876 /nfs/dbraw/zinc/80/88/76/557808876.db2.gz ODRDTAKWWUSSFJ-CXUHLZMHSA-N 0 0 431.422 2.855 40 0 IFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCC2)cc1OC ZINC000059444200 557821102 /nfs/dbraw/zinc/82/11/02/557821102.db2.gz ZGDACURFUYHVFU-UHFFFAOYSA-N 0 0 446.569 2.996 40 0 IFABRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000059338636 557822336 /nfs/dbraw/zinc/82/23/36/557822336.db2.gz FRNWPTRXNLTCSJ-LVBDUCALSA-N 0 0 426.469 2.840 40 0 IFABRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC ZINC000260622213 557836284 /nfs/dbraw/zinc/83/62/84/557836284.db2.gz RWGRIAADLRVALB-AEFFLSMTSA-N 0 0 432.542 2.982 40 0 IFABRN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000244942673 557849354 /nfs/dbraw/zinc/84/93/54/557849354.db2.gz CUHDHUYXQOBWQG-UHFFFAOYSA-N 0 0 436.965 2.627 40 0 IFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000260746112 557852129 /nfs/dbraw/zinc/85/21/29/557852129.db2.gz RWSASQITQOECGM-GJZGRUSLSA-N 0 0 436.530 2.744 40 0 IFABRN Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260757727 557853250 /nfs/dbraw/zinc/85/32/50/557853250.db2.gz RTLDSVJSZNTBQD-LJQANCHMSA-N 0 0 445.585 2.703 40 0 IFABRN CN([C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O ZINC000260801470 557857688 /nfs/dbraw/zinc/85/76/88/557857688.db2.gz YVJOEQAOQLDIKK-FQEVSTJZSA-N 0 0 441.509 2.781 40 0 IFABRN COc1ccc(N2C[C@@H]3C[C@]3(C(=O)Nc3ccc(OC4CSC4)cc3)S2(=O)=O)cc1 ZINC000260826444 557858225 /nfs/dbraw/zinc/85/82/25/557858225.db2.gz APOWCOANOBJNHV-QKKBWIMNSA-N 0 0 446.550 2.737 40 0 IFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)O2 ZINC000260839012 557860520 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560231113 /nfs/dbraw/zinc/23/11/13/560231113.db2.gz XXIBLCILTMZYRB-MJGOQNOKSA-N 0 0 431.489 2.799 40 0 biogenic,in-vitro IFABRN O=C1COc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2N1 ZINC000015941833 563019593 /nfs/dbraw/zinc/01/95/93/563019593.db2.gz UHPDSQHJCVHMJS-UHFFFAOYSA-N 0 0 441.431 2.547 40 0 IFABRN Cc1ccc(Cl)c(OCC2(O)CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000585274664 568618736 /nfs/dbraw/zinc/61/87/36/568618736.db2.gz YCGQXBWBFUHOLV-UHFFFAOYSA-N 0 0 446.931 2.899 40 0 IFABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000000879482 568620497 /nfs/dbraw/zinc/62/04/97/568620497.db2.gz XNYADNKXRDBRHS-WOJBJXKFSA-N 0 0 445.585 2.961 40 0 IFABRN CCN(Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc(OC)ccc2[nH]c1=O ZINC000020083770 568624619 /nfs/dbraw/zinc/62/46/19/568624619.db2.gz FGNFPNMACDNWRA-QFIPXVFZSA-N 0 0 448.527 2.781 40 0 IFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000020083600 568624656 /nfs/dbraw/zinc/62/46/56/568624656.db2.gz 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IFABRN CCc1ccc(CC)c(CNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000223324807 193967092 /nfs/dbraw/zinc/96/70/92/193967092.db2.gz VTFDJDQBPFCMPE-UHFFFAOYSA-N 0 0 434.558 2.911 40 0 IFABRN O=C(c1cc(NS(=O)(=O)c2ccc(F)cc2)ccn1)N1CCN(c2ccccc2)CC1 ZINC000009152254 132306796 /nfs/dbraw/zinc/30/67/96/132306796.db2.gz DRXDCOVKFUMQQC-UHFFFAOYSA-N 0 0 440.500 2.984 40 0 IFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc(C(=O)OC)ccc2Cl)Oc2ccccc21 ZINC000010009223 132333779 /nfs/dbraw/zinc/33/37/79/132333779.db2.gz ZAGQBBBIXIAKIO-QGZVFWFLSA-N 0 0 438.889 2.682 40 0 IFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 ZINC000010009171 132333785 /nfs/dbraw/zinc/33/37/85/132333785.db2.gz KNLSOAOBGUVENE-QRWLVFNGSA-N 0 0 445.541 2.771 40 0 IFABRN COc1ccccc1N1CCN(C(=O)Cn2c(C(=O)OC(C)C)cc3c2ccn3C)CC1 ZINC000013565036 132350113 /nfs/dbraw/zinc/35/01/13/132350113.db2.gz NISJUQDWOTUATR-UHFFFAOYSA-N 0 0 438.528 2.902 40 0 IFABRN CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000016678296 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524968920 /nfs/dbraw/zinc/96/89/20/524968920.db2.gz JDYHRFSVWZISOG-OAHLLOKOSA-N 0 0 434.514 2.576 40 0 IFABRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C4CC4)nn3-c3nc(C)c(C)c(=O)[nH]3)CC2=O)cc1 ZINC000012127337 524986016 /nfs/dbraw/zinc/98/60/16/524986016.db2.gz FSLPZVOESKSHID-QGZVFWFLSA-N 0 0 446.511 2.750 40 0 IFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Br)c2)cc1OC ZINC000016188349 525002082 /nfs/dbraw/zinc/00/20/82/525002082.db2.gz LVNCBLLEXAIZRR-UHFFFAOYSA-N 0 0 443.319 2.726 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)cc1 ZINC000012182278 525021426 /nfs/dbraw/zinc/02/14/26/525021426.db2.gz AEMYEPBOAKOZOA-UHFFFAOYSA-N 0 0 435.933 2.914 40 0 IFABRN COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1Cl ZINC000022227653 525059909 /nfs/dbraw/zinc/05/99/09/525059909.db2.gz RMOIUHHVPKKLFD-UHFFFAOYSA-N 0 0 446.978 2.556 40 0 IFABRN COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1C(=O)NC(C)C ZINC000020460561 525068171 /nfs/dbraw/zinc/06/81/71/525068171.db2.gz XYPBNOBUFJUBMW-UHFFFAOYSA-N 0 0 442.541 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FSQBMRUIKKRFFF-MRXNPFEDSA-N 0 0 426.469 2.855 40 0 IFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 ZINC000408652197 556029351 /nfs/dbraw/zinc/02/93/51/556029351.db2.gz FSQBMRUIKKRFFF-INIZCTEOSA-N 0 0 426.469 2.855 40 0 IFABRN Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 ZINC000408654033 556031126 /nfs/dbraw/zinc/03/11/26/556031126.db2.gz JDKYISWLQUWRRX-HNNXBMFYSA-N 0 0 443.887 2.632 40 0 IFABRN COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 ZINC000408654047 556034830 /nfs/dbraw/zinc/03/48/30/556034830.db2.gz JGCOJKPBMBJTDF-AWEZNQCLSA-N 0 0 430.844 2.661 40 0 IFABRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC000408656255 556036459 /nfs/dbraw/zinc/03/64/59/556036459.db2.gz NAJXNSQLBHVQHJ-INIZCTEOSA-N 0 0 443.887 2.632 40 0 IFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000408656703 556036889 /nfs/dbraw/zinc/03/68/89/556036889.db2.gz OBUJAESANCYXQK-HNNXBMFYSA-N 0 0 443.887 2.632 40 0 IFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(OC)c1 ZINC000408657804 556038705 /nfs/dbraw/zinc/03/87/05/556038705.db2.gz PJULIZDSKGOIDC-WBVHZDCISA-N 0 0 426.469 2.795 40 0 IFABRN COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000408657775 556038747 /nfs/dbraw/zinc/03/87/47/556038747.db2.gz HPCCYZGYCRUECR-UHFFFAOYSA-N 0 0 440.452 2.967 40 0 IFABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 ZINC000408657832 556038988 /nfs/dbraw/zinc/03/89/88/556038988.db2.gz PLKDQOVNVXQCGO-HNNXBMFYSA-N 0 0 443.887 2.632 40 0 IFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000408660563 556040654 /nfs/dbraw/zinc/04/06/54/556040654.db2.gz ATBQSIYCTXAERW-UHFFFAOYSA-N 0 0 425.441 2.748 40 0 IFABRN COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000408666888 556052001 /nfs/dbraw/zinc/05/20/01/556052001.db2.gz TVHTWHZBWRYOLB-BGYRXZFFSA-N 0 0 434.448 2.946 40 0 IFABRN CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000005541888 556058384 /nfs/dbraw/zinc/05/83/84/556058384.db2.gz HGAINBGRJFALTP-IYXIZZNPSA-N 0 0 440.492 2.998 40 0 IFABRN CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000005541893 556058390 /nfs/dbraw/zinc/05/83/90/556058390.db2.gz HGAINBGRJFALTP-NMOFPLQQSA-N 0 0 440.492 2.998 40 0 IFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1 ZINC000408669923 556059340 /nfs/dbraw/zinc/05/93/40/556059340.db2.gz XMYFUOIAFKQNSN-UHFFFAOYSA-N 0 0 430.457 2.815 40 0 IFABRN COc1cc2c(c(OC)c1OC)-c1ccc([S@@](C)=O)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000005574824 556059728 /nfs/dbraw/zinc/05/97/28/556059728.db2.gz WPRGBKZCSCXZNE-JTBPQFFMSA-N 0 0 431.510 2.600 40 0 IFABRN CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O ZINC000408671099 556060576 /nfs/dbraw/zinc/06/05/76/556060576.db2.gz YMYBDURHJNUBHF-UHFFFAOYSA-N 0 0 445.269 2.789 40 0 IFABRN COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 ZINC000408672711 556061306 /nfs/dbraw/zinc/06/13/06/556061306.db2.gz ZPFGNKZEJIVGSO-WOJBJXKFSA-N 0 0 434.448 2.946 40 0 IFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2C)CC1 ZINC000408674607 556065723 /nfs/dbraw/zinc/06/57/23/556065723.db2.gz CEYZCOLVBBYWOA-UHFFFAOYSA-N 0 0 445.585 2.956 40 0 IFABRN COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C ZINC000408675575 556068217 /nfs/dbraw/zinc/06/82/17/556068217.db2.gz JBJDPNAXLWKTRB-UHFFFAOYSA-N 0 0 426.922 2.981 40 0 IFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000408679698 556074562 /nfs/dbraw/zinc/07/45/62/556074562.db2.gz JYSIYIOSNYURLZ-UHFFFAOYSA-N 0 0 447.557 2.556 40 0 IFABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000408680923 556075931 /nfs/dbraw/zinc/07/59/31/556075931.db2.gz TZFVWMITEACWQB-UHFFFAOYSA-N 0 0 432.832 2.810 40 0 IFABRN COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148988 556078134 /nfs/dbraw/zinc/07/81/34/556078134.db2.gz BJZOKVJGTYDAHH-WIYYLYMNSA-N 0 0 438.532 2.524 40 0 IFABRN Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000408684666 556084580 /nfs/dbraw/zinc/08/45/80/556084580.db2.gz KEPNZTJYHCRKQS-UHFFFAOYSA-N 0 0 441.307 2.818 40 0 IFABRN Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccccc4C)cc3C2=O)s1 ZINC000408690882 556091787 /nfs/dbraw/zinc/09/17/87/556091787.db2.gz WZZFRARREHQHSK-UHFFFAOYSA-N 0 0 436.449 2.751 40 0 IFABRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)s1 ZINC000408691369 556094205 /nfs/dbraw/zinc/09/42/05/556094205.db2.gz ZNKGGRBGTUNLLU-UHFFFAOYSA-N 0 0 448.501 2.702 40 0 IFABRN COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1Cl ZINC000408693415 556098874 /nfs/dbraw/zinc/09/88/74/556098874.db2.gz SSRUSBGAMUJTNV-UHFFFAOYSA-N 0 0 440.905 2.630 40 0 IFABRN CCC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC ZINC000408696857 556100901 /nfs/dbraw/zinc/10/09/01/556100901.db2.gz FIVKMLQIFSFAQN-UHFFFAOYSA-N 0 0 433.530 2.563 40 0 IFABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1S(=O)(=O)N1CCCC1 ZINC000408697337 556101077 /nfs/dbraw/zinc/10/10/77/556101077.db2.gz JDPRDFUUKGWABY-UHFFFAOYSA-N 0 0 432.498 2.909 40 0 IFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCn2ccnc2)C1 ZINC000408700420 556102528 /nfs/dbraw/zinc/10/25/28/556102528.db2.gz FTFOJDDPVBKIRO-IBGZPJMESA-N 0 0 448.589 2.622 40 0 IFABRN CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)NC(C)C ZINC000408700969 556106183 /nfs/dbraw/zinc/10/61/83/556106183.db2.gz PJTMKMPONFVWOR-UHFFFAOYSA-N 0 0 431.558 2.734 40 0 IFABRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704066 556109278 /nfs/dbraw/zinc/10/92/78/556109278.db2.gz JIXDMTMTLNQLIK-GFCCVEGCSA-N 0 0 440.905 2.913 40 0 IFABRN CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000408704213 556109517 /nfs/dbraw/zinc/10/95/17/556109517.db2.gz LAEWJTWVNOLYMO-UHFFFAOYSA-N 0 0 448.497 2.777 40 0 IFABRN COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(OC)c1 ZINC000408704460 556109863 /nfs/dbraw/zinc/10/98/63/556109863.db2.gz NUSPGNVDPMCPPZ-UHFFFAOYSA-N 0 0 436.486 2.617 40 0 IFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000408705844 556111899 /nfs/dbraw/zinc/11/18/99/556111899.db2.gz OMBZVOGJKZGOSN-UHFFFAOYSA-N 0 0 436.486 2.529 40 0 IFABRN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408708674 556114490 /nfs/dbraw/zinc/11/44/90/556114490.db2.gz KNEBKASHAYDGKC-UHFFFAOYSA-N 0 0 431.448 2.600 40 0 IFABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccc(OC)c2)cc1 ZINC000408709974 556116310 /nfs/dbraw/zinc/11/63/10/556116310.db2.gz JTPGNXPLILWFJL-UHFFFAOYSA-N 0 0 447.491 2.889 40 0 IFABRN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000408709672 556117554 /nfs/dbraw/zinc/11/75/54/556117554.db2.gz FENADHLDDZWZKY-CRAIPNDOSA-N 0 0 437.496 2.979 40 0 IFABRN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408709870 556117800 /nfs/dbraw/zinc/11/78/00/556117800.db2.gz YMVQIYCGFHZZTJ-UHFFFAOYSA-N 0 0 430.464 2.988 40 0 IFABRN Cc1ccc(-c2nnc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000408713910 556128220 /nfs/dbraw/zinc/12/82/20/556128220.db2.gz CMGOCXMLFRUTFD-UHFFFAOYSA-N 0 0 448.932 2.978 40 0 IFABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000408713481 556130389 /nfs/dbraw/zinc/13/03/89/556130389.db2.gz BHCFGMFQXXCIJF-INIZCTEOSA-N 0 0 436.505 2.560 40 0 IFABRN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000408713482 556130814 /nfs/dbraw/zinc/13/08/14/556130814.db2.gz BHCFGMFQXXCIJF-MRXNPFEDSA-N 0 0 436.505 2.560 40 0 IFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000408713583 556131232 /nfs/dbraw/zinc/13/12/32/556131232.db2.gz ITQVFFPVCUAOCN-CYBMUJFWSA-N 0 0 436.461 2.602 40 0 IFABRN O=C(NC[C@H]1CCCO1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000408714833 556132151 /nfs/dbraw/zinc/13/21/51/556132151.db2.gz PTJJUCJNPWPYFF-BEFAXECRSA-N 0 0 436.917 2.592 40 0 IFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000408730284 556180189 /nfs/dbraw/zinc/18/01/89/556180189.db2.gz GTXWUAIRWZKJIY-LUDQZLGDSA-N 0 0 434.517 2.916 40 0 IFABRN O=C1S/C(=C\c2ccccc2I)C(=O)N1CN1CCOCC1 ZINC000408731639 556187565 /nfs/dbraw/zinc/18/75/65/556187565.db2.gz OHQOHCWTZZJRFJ-LCYFTJDESA-N 0 0 430.267 2.617 40 0 IFABRN O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000008674544 556198861 /nfs/dbraw/zinc/19/88/61/556198861.db2.gz QFXKJHCDSILXEP-MRXNPFEDSA-N 0 0 442.322 2.844 40 0 IFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738778 556207374 /nfs/dbraw/zinc/20/73/74/556207374.db2.gz OFTHPKVIYHPIQE-CNSVBDKNSA-N 0 0 449.532 2.592 40 0 IFABRN COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000009233075 556261965 /nfs/dbraw/zinc/26/19/65/556261965.db2.gz YBUCHFWWUQXWTF-BOPFTXTBSA-N 0 0 426.450 2.913 40 0 IFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013686195 556276399 /nfs/dbraw/zinc/27/63/99/556276399.db2.gz FCFUNZQJBSGXGU-FQEVSTJZSA-N 0 0 447.557 2.555 40 0 IFABRN CC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715388 556286930 /nfs/dbraw/zinc/28/69/30/556286930.db2.gz ATOIJFNLPFOREN-GOSISDBHSA-N 0 0 438.521 2.746 40 0 IFABRN Cc1cc(C)cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)[C@@H]4C2=O)c1 ZINC000036351093 556306155 /nfs/dbraw/zinc/30/61/55/556306155.db2.gz HDJFCOMZLLMTGQ-YEMMZOHUSA-N 0 0 438.524 2.580 40 0 IFABRN COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)C[C@@H]2CCS(=O)(=O)C2)C3)cc1 ZINC000036719603 556309636 /nfs/dbraw/zinc/30/96/36/556309636.db2.gz BZNSTISJBPZJRT-ZYSHUDEJSA-N 0 0 444.557 2.604 40 0 IFABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1C=CC2[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000013810156 556311886 /nfs/dbraw/zinc/31/18/86/556311886.db2.gz ZKXHQSHCOVDPJB-ABPJMCOGSA-N 0 0 434.398 2.692 40 0 IFABRN Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4CCc3ccccc3)n(C)c2=O)cc1 ZINC000010252576 556328743 /nfs/dbraw/zinc/32/87/43/556328743.db2.gz WKUFEGQFLXEUPT-IBGZPJMESA-N 0 0 443.551 2.952 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000010429666 556334200 /nfs/dbraw/zinc/33/42/00/556334200.db2.gz QPLVVPMQKKUBKD-UHFFFAOYSA-N 0 0 429.542 2.868 40 0 IFABRN COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 ZINC000010440737 556334541 /nfs/dbraw/zinc/33/45/41/556334541.db2.gz XBAAAYHTGRKFQO-LBPRGKRZSA-N 0 0 440.905 2.928 40 0 IFABRN CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)OCc3ccccc3)C[C@@H]12 ZINC000097758990 556337993 /nfs/dbraw/zinc/33/79/93/556337993.db2.gz VPQJFZDAFOZYOG-ROUUACIJSA-N 0 0 429.517 2.771 40 0 IFABRN Cn1c2c(c(=O)[nH]c1=O)n(Cc1c(F)cccc1Cl)c1nnc(-c3ccc(F)cc3)n12 ZINC000010966973 556338334 /nfs/dbraw/zinc/33/83/34/556338334.db2.gz MLLKCMVTXOJZBB-UHFFFAOYSA-N 0 0 442.813 2.718 40 0 IFABRN COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Cl ZINC000214685942 556339846 /nfs/dbraw/zinc/33/98/46/556339846.db2.gz BDLJOODVLRXJCE-MDWZMJQESA-N 0 0 431.297 2.897 40 0 IFABRN C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000014110761 556369465 /nfs/dbraw/zinc/36/94/65/556369465.db2.gz GHMQAOGHUONCEM-INIZCTEOSA-N 0 0 429.542 2.788 40 0 IFABRN COc1cc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc(OC)c1OC ZINC000012084982 556398641 /nfs/dbraw/zinc/39/86/41/556398641.db2.gz FMNGQWGGTOMBNU-CQSZACIVSA-N 0 0 429.502 2.732 40 0 IFABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4ccc5c(c4)OCCO5)nn3cn2)cc1 ZINC000012085185 556398948 /nfs/dbraw/zinc/39/89/48/556398948.db2.gz JNWDDEBTKOAPMR-HNNXBMFYSA-N 0 0 445.479 2.991 40 0 IFABRN COc1cc(C(=O)N2CCC[C@H]2Cn2nnc(-c3cccs3)n2)cc(OC)c1OC ZINC000012085249 556399087 /nfs/dbraw/zinc/39/90/87/556399087.db2.gz FMNGQWGGTOMBNU-AWEZNQCLSA-N 0 0 429.502 2.732 40 0 IFABRN Cc1nnc(SCC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)s1 ZINC000012086459 556399623 /nfs/dbraw/zinc/39/96/23/556399623.db2.gz KHLFNNVUNGLQPM-QRWLVFNGSA-N 0 0 432.571 2.960 40 0 IFABRN Cc1ccc(CNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)Nc2cc(C)ccc2C(=O)N3)cc1 ZINC000012086524 556399969 /nfs/dbraw/zinc/39/99/69/556399969.db2.gz FVGDPJFKKQMKKR-AVRWGWEMSA-N 0 0 434.540 2.872 40 0 IFABRN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3cccc(F)c3)CC1)NC2=O ZINC000012086531 556399983 /nfs/dbraw/zinc/39/99/83/556399983.db2.gz HOMWIRYWIBSCBL-VOIUYBSRSA-N 0 0 438.503 2.703 40 0 IFABRN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCC3CCCCC3)CC1)NC2=O ZINC000012086543 556399990 /nfs/dbraw/zinc/39/99/90/556399990.db2.gz DNOBABRNGLWZRU-MZNJEOGPSA-N 0 0 426.561 2.944 40 0 IFABRN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@]3(C2)CN(C(C)=O)Cc2ccccc2O3)cc1 ZINC000012087147 556400283 /nfs/dbraw/zinc/40/02/83/556400283.db2.gz JLNGFAAYMRZSMF-QHCPKHFHSA-N 0 0 442.537 2.854 40 0 IFABRN COc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)c3cc(-c4cnn(C)c4)n[nH]3)CC1)O2 ZINC000012087404 556400530 /nfs/dbraw/zinc/40/05/30/556400530.db2.gz PJRYLDUUEAISJY-QFIPXVFZSA-N 0 0 435.484 2.705 40 0 IFABRN O=C(c1ccc(N2CCCC2)cc1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000012089457 556402077 /nfs/dbraw/zinc/40/20/77/556402077.db2.gz XIDJVNBUSKWQMS-QFIPXVFZSA-N 0 0 440.569 2.869 40 0 IFABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014578527 556427637 /nfs/dbraw/zinc/42/76/37/556427637.db2.gz CDSMFCNPPACDDY-UHFFFAOYSA-N 0 0 440.905 2.630 40 0 IFABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000028189483 556444596 /nfs/dbraw/zinc/44/45/96/556444596.db2.gz XNOLHSIKDKKRLJ-UHFFFAOYSA-N 0 0 434.543 2.776 40 0 IFABRN COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000014893517 556456645 /nfs/dbraw/zinc/45/66/45/556456645.db2.gz LYDQMKDDLIAVKW-INIZCTEOSA-N 0 0 434.489 2.960 40 0 IFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000029710948 556480386 /nfs/dbraw/zinc/48/03/86/556480386.db2.gz ZHWZOQKSZUFNHF-UHFFFAOYSA-N 0 0 447.944 2.532 40 0 IFABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000029773987 556482165 /nfs/dbraw/zinc/48/21/65/556482165.db2.gz QQBJPNGCSUUIBG-QGZVFWFLSA-N 0 0 432.542 2.906 40 0 IFABRN COc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000030752959 556503529 /nfs/dbraw/zinc/50/35/29/556503529.db2.gz IAEWNALXRCFHGH-UHFFFAOYSA-N 0 0 432.542 2.902 40 0 IFABRN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 ZINC000030850816 556508695 /nfs/dbraw/zinc/50/86/95/556508695.db2.gz FUTRYRDFEMMAOE-QGZVFWFLSA-N 0 0 448.541 2.739 40 0 IFABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000030852821 556509355 /nfs/dbraw/zinc/50/93/55/556509355.db2.gz GFOFCRZFHKCVPX-OAHLLOKOSA-N 0 0 436.530 2.746 40 0 IFABRN CNC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1Br ZINC000036612897 556511456 /nfs/dbraw/zinc/51/14/56/556511456.db2.gz LGENPGWHPLHYKX-SFHVURJKSA-N 0 0 446.301 2.978 40 0 IFABRN CCS(=O)(=O)N(CC(=O)NCc1ccc(OC(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000030867929 556512842 /nfs/dbraw/zinc/51/28/42/556512842.db2.gz ASDPYGKGQDUNKU-UHFFFAOYSA-N 0 0 434.514 2.675 40 0 IFABRN O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013540737 556513608 /nfs/dbraw/zinc/51/36/08/556513608.db2.gz CXEOPBGOOGVGNI-TZRRMPRUSA-N 0 0 446.595 2.710 40 0 IFABRN O=C(NCCCN1CCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000030899849 556514971 /nfs/dbraw/zinc/51/49/71/556514971.db2.gz ZZNOEAHITYXHKT-HXUWFJFHSA-N 0 0 427.570 2.656 40 0 IFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)O2 ZINC000030942610 556516611 /nfs/dbraw/zinc/51/66/11/556516611.db2.gz AHFZQKMZGDOLOC-LJQANCHMSA-N 0 0 445.541 2.689 40 0 IFABRN COc1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000013572176 556522545 /nfs/dbraw/zinc/52/25/45/556522545.db2.gz OYHOGOMPZZETPV-CABCVRRESA-N 0 0 429.567 2.933 40 0 IFABRN COc1cccc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000013572285 556522832 /nfs/dbraw/zinc/52/28/32/556522832.db2.gz DCHRZEDVEVOBNN-CABCVRRESA-N 0 0 429.567 2.933 40 0 IFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000031598532 556524544 /nfs/dbraw/zinc/52/45/44/556524544.db2.gz LRQLBUPRNQIZMV-IAGOWNOFSA-N 0 0 432.542 2.982 40 0 IFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000031598537 556524551 /nfs/dbraw/zinc/52/45/51/556524551.db2.gz LRQLBUPRNQIZMV-DLBZAZTESA-N 0 0 432.542 2.982 40 0 IFABRN COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC ZINC000031602490 556524682 /nfs/dbraw/zinc/52/46/82/556524682.db2.gz PZGPLBBDVXGNLO-SFHVURJKSA-N 0 0 432.542 2.763 40 0 IFABRN COc1cc(C(=O)O[C@H](COCCC(C)C)CN2CCOCC2)cc(OC)c1OC ZINC000031771397 556526190 /nfs/dbraw/zinc/52/61/90/556526190.db2.gz YOKPRDAUBGOISU-SFHVURJKSA-N 0 0 425.522 2.633 40 0 in-man IFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(Br)c1 ZINC000013580974 556527521 /nfs/dbraw/zinc/52/75/21/556527521.db2.gz WAZFWXXEAKHRCK-UHFFFAOYSA-N 0 0 431.283 2.856 40 0 IFABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC ZINC000015440177 556528539 /nfs/dbraw/zinc/52/85/39/556528539.db2.gz ZTFJDFUXTUTIDR-UHFFFAOYSA-N 0 0 438.571 2.825 40 0 IFABRN COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000013632109 556539507 /nfs/dbraw/zinc/53/95/07/556539507.db2.gz NYDJSFPWBYKXCZ-UHFFFAOYSA-N 0 0 448.516 2.817 40 0 IFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(C(C)C)cc2)cc1 ZINC000013647195 556544240 /nfs/dbraw/zinc/54/42/40/556544240.db2.gz CBIYJVJJTICOQY-UHFFFAOYSA-N 0 0 443.569 2.614 40 0 IFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(Br)cc1 ZINC000015718199 556544958 /nfs/dbraw/zinc/54/49/58/556544958.db2.gz GLZXKZNLEVCTRP-UHFFFAOYSA-N 0 0 439.331 2.668 40 0 IFABRN CCOC(=O)[C@H]1[C@H]2c3ccccc3C=NN2[C@@H](C(=O)OCC)[C@H]2c3ccccc3C=NN12 ZINC000013660335 556546707 /nfs/dbraw/zinc/54/67/07/556546707.db2.gz UEGOQIIYBYDIQE-GXRSIYKFSA-N 0 0 432.480 2.645 40 0 IFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)c1C ZINC000013669598 556550468 /nfs/dbraw/zinc/55/04/68/556550468.db2.gz PJOGLDSHPIFTBU-UHFFFAOYSA-N 0 0 448.497 2.695 40 0 IFABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)c1 ZINC000013675949 556554195 /nfs/dbraw/zinc/55/41/95/556554195.db2.gz KMBGITCFOCCXTA-UHFFFAOYSA-N 0 0 434.514 2.975 40 0 IFABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)OC)c2)ccc1OC ZINC000013677479 556555181 /nfs/dbraw/zinc/55/51/81/556555181.db2.gz KVLJOJPXXJMGND-UHFFFAOYSA-N 0 0 426.878 2.686 40 0 IFABRN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1C ZINC000013679307 556555722 /nfs/dbraw/zinc/55/57/22/556555722.db2.gz PGHZCOVNSGKHHR-MRXNPFEDSA-N 0 0 446.525 2.830 40 0 IFABRN COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)CC1 ZINC000015924658 556564838 /nfs/dbraw/zinc/56/48/38/556564838.db2.gz DBVDQRAGNGQNGH-UHFFFAOYSA-N 0 0 430.526 2.845 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000015977047 556570680 /nfs/dbraw/zinc/57/06/80/556570680.db2.gz OARWSOPWRIPNMU-UHFFFAOYSA-N 0 0 442.459 2.965 40 0 IFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000016187560 556587664 /nfs/dbraw/zinc/58/76/64/556587664.db2.gz WXNRPBFHRTYWRU-UHFFFAOYSA-N 0 0 446.569 2.806 40 0 IFABRN COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000016227629 556593305 /nfs/dbraw/zinc/59/33/05/556593305.db2.gz KWJWUDZSWIWTDX-UHFFFAOYSA-N 0 0 447.532 2.581 40 0 IFABRN COc1ccccc1NS(=O)(=O)CCCCS(=O)(=O)Nc1ccccc1OC ZINC000016248147 556594194 /nfs/dbraw/zinc/59/41/94/556594194.db2.gz QCFZZDDBUHABJL-UHFFFAOYSA-N 0 0 428.532 2.668 40 0 IFABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000016291284 556597988 /nfs/dbraw/zinc/59/79/88/556597988.db2.gz ZEUCYSLMLZOOLT-UHFFFAOYSA-N 0 0 445.585 2.590 40 0 IFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 ZINC000016293443 556598670 /nfs/dbraw/zinc/59/86/70/556598670.db2.gz HJIIIAQHOJALJE-UHFFFAOYSA-N 0 0 439.493 2.912 40 0 IFABRN O=C(N[C@H](ON1C(=O)[C@@H](O)Oc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 ZINC000016476700 556610745 /nfs/dbraw/zinc/61/07/45/556610745.db2.gz CRHXCVKJKBPJKB-JKSUJKDBSA-N 0 0 431.659 2.788 40 0 IFABRN Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O ZINC000038753135 556616255 /nfs/dbraw/zinc/61/62/55/556616255.db2.gz GQRKBMXHAPCTNQ-UHFFFAOYSA-N 0 0 432.933 2.917 40 0 IFABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1)c1ccc(OC)cc1 ZINC000038753504 556616437 /nfs/dbraw/zinc/61/64/37/556616437.db2.gz PBWKSXPVFMEAIA-FQEVSTJZSA-N 0 0 448.541 2.606 40 0 IFABRN CCOc1ccccc1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000038754929 556617332 /nfs/dbraw/zinc/61/73/32/556617332.db2.gz NJTIOPKUQRBCTB-UHFFFAOYSA-N 0 0 437.537 2.586 40 0 IFABRN CC[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000038755543 556617596 /nfs/dbraw/zinc/61/75/96/556617596.db2.gz TZDVBMZXBQGWQY-HXUWFJFHSA-N 0 0 430.505 2.872 40 0 IFABRN CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1 ZINC000038756660 556618276 /nfs/dbraw/zinc/61/82/76/556618276.db2.gz ZSGOIDVXOLVIFO-QGZVFWFLSA-N 0 0 442.541 2.742 40 0 IFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC ZINC000016678391 556623299 /nfs/dbraw/zinc/62/32/99/556623299.db2.gz GRYDQRNKZRSMMD-UHFFFAOYSA-N 0 0 449.548 2.827 40 0 IFABRN COc1ccc(CCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000038848962 556624088 /nfs/dbraw/zinc/62/40/88/556624088.db2.gz AHFKNNBRIVGWGY-NRFANRHFSA-N 0 0 446.569 2.879 40 0 IFABRN CCNS(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC ZINC000016681816 556624153 /nfs/dbraw/zinc/62/41/53/556624153.db2.gz MZJDYPULBFESNT-UHFFFAOYSA-N 0 0 428.894 2.916 40 0 IFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCSCc1ccccc1C)O2 ZINC000038853072 556625111 /nfs/dbraw/zinc/62/51/11/556625111.db2.gz RQRPLMLWBBYIQQ-HXUWFJFHSA-N 0 0 434.583 2.880 40 0 IFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000038855658 556625623 /nfs/dbraw/zinc/62/56/23/556625623.db2.gz WDFONURMDMOLRD-MGPUTAFESA-N 0 0 445.541 2.689 40 0 IFABRN Cc1ccc(NC(=O)C[C@H]2C(=O)N(CCCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000039964049 556631347 /nfs/dbraw/zinc/63/13/47/556631347.db2.gz TXILNSCMLIJAFW-QFIPXVFZSA-N 0 0 447.539 2.984 40 0 IFABRN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(CCCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000039964048 556631380 /nfs/dbraw/zinc/63/13/80/556631380.db2.gz TXILNSCMLIJAFW-JOCHJYFZSA-N 0 0 447.539 2.984 40 0 IFABRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 ZINC000040390321 556636879 /nfs/dbraw/zinc/63/68/79/556636879.db2.gz MKSQUBAFHWFNMZ-UONOGXRCSA-N 0 0 425.489 2.612 40 0 IFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000040390501 556637439 /nfs/dbraw/zinc/63/74/39/556637439.db2.gz QAUQKLLMAGBFJF-ZBFHGGJFSA-N 0 0 425.489 2.612 40 0 IFABRN COc1ccc(C(=O)Nn2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 ZINC000040392021 556638129 /nfs/dbraw/zinc/63/81/29/556638129.db2.gz UXWKUODNNKAQKW-UHFFFAOYSA-N 0 0 444.426 2.946 40 0 IFABRN CCc1ccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)cc1 ZINC000016756198 556639175 /nfs/dbraw/zinc/63/91/75/556639175.db2.gz USABCQUNHRAOPH-UHFFFAOYSA-N 0 0 443.529 2.978 40 0 IFABRN COc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)c1 ZINC000040400148 556642923 /nfs/dbraw/zinc/64/29/23/556642923.db2.gz VYLZLYYMZOLZAX-CQSZACIVSA-N 0 0 449.467 2.904 40 0 IFABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc1 ZINC000040400403 556643293 /nfs/dbraw/zinc/64/32/93/556643293.db2.gz JGTOPKYJTGUPEB-KRWDZBQOSA-N 0 0 446.467 2.845 40 0 IFABRN COc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 ZINC000043771029 556665248 /nfs/dbraw/zinc/66/52/48/556665248.db2.gz AMWHYKILXPFEQK-UHFFFAOYSA-N 0 0 438.933 2.942 40 0 IFABRN C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000044847209 556669756 /nfs/dbraw/zinc/66/97/56/556669756.db2.gz PAELHEOOTGCEQT-BEFAXECRSA-N 0 0 430.526 2.806 40 0 IFABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1 ZINC000017167779 556671161 /nfs/dbraw/zinc/67/11/61/556671161.db2.gz XRWJCUARECRGOW-UHFFFAOYSA-N 0 0 425.510 2.910 40 0 IFABRN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000044880312 556674130 /nfs/dbraw/zinc/67/41/30/556674130.db2.gz RGGFDPOJOYZLKF-OAQYLSRUSA-N 0 0 432.542 2.738 40 0 IFABRN 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CCc1nn(CC(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c(=O)c2ccccc12 ZINC000072343197 556915017 /nfs/dbraw/zinc/91/50/17/556915017.db2.gz GREMJSWFPXEHFS-QGZVFWFLSA-N 0 0 444.495 2.810 40 0 IFABRN O=C(C[C@H]1CCCCO1)N1CCC[C@@H](c2nn(CCNC(=O)C3CC3)c3ncccc23)C1 ZINC000072344704 556915200 /nfs/dbraw/zinc/91/52/00/556915200.db2.gz LRFBNPRTESFICY-RTBURBONSA-N 0 0 439.560 2.623 40 0 IFABRN CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(C(=O)Cc3ccccc3)CC2)o1 ZINC000072344910 556916154 /nfs/dbraw/zinc/91/61/54/556916154.db2.gz WIRQEHOQLOGWKM-IBGZPJMESA-N 0 0 446.573 2.895 40 0 IFABRN COCCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000409004076 556917217 /nfs/dbraw/zinc/91/72/17/556917217.db2.gz WKQZKHBUIUZJGE-FQEVSTJZSA-N 0 0 428.485 2.568 40 0 IFABRN CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC000072346513 556917970 /nfs/dbraw/zinc/91/79/70/556917970.db2.gz AUKVEYHEERGTAW-UHFFFAOYSA-N 0 0 445.560 2.961 40 0 IFABRN O=C(CN1c2c(cnn2-c2ccc(F)cc2)C2=NCCN2C1=O)N1CCc2ccccc21 ZINC000072347781 556918962 /nfs/dbraw/zinc/91/89/62/556918962.db2.gz MZFSRZGCYWPPHK-UHFFFAOYSA-N 0 0 430.443 2.603 40 0 IFABRN CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)c(=O)c12 ZINC000072347759 556918968 /nfs/dbraw/zinc/91/89/68/556918968.db2.gz TVCMPUXAZGRFQW-INIZCTEOSA-N 0 0 430.574 2.895 40 0 IFABRN CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1OC)C3 ZINC000019816936 556919916 /nfs/dbraw/zinc/91/99/16/556919916.db2.gz MGNWIIHOPLLCSZ-GFCCVEGCSA-N 0 0 442.497 2.709 40 0 IFABRN Cc1ccn(C[C@H](C)C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2cccnc2)n1 ZINC000072351540 556921718 /nfs/dbraw/zinc/92/17/18/556921718.db2.gz NVBIGIMGQYRNHT-MBSDFSHPSA-N 0 0 431.540 2.802 40 0 IFABRN Cc1c(Cl)cccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000409025515 556925895 /nfs/dbraw/zinc/92/58/95/556925895.db2.gz WGTJOZSHEILYCK-UHFFFAOYSA-N 0 0 449.960 2.568 40 0 IFABRN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4snnc4C)C3)c2)cn1 ZINC000072353665 556927501 /nfs/dbraw/zinc/92/75/01/556927501.db2.gz GFLOBJUKAXSBTG-MRXNPFEDSA-N 0 0 436.541 2.991 40 0 IFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=N1 ZINC000409032240 556927528 /nfs/dbraw/zinc/92/75/28/556927528.db2.gz LZRGQMLEVUAIHF-PHJXOXRPSA-N 0 0 434.517 2.807 40 0 IFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N1 ZINC000409045835 556930567 /nfs/dbraw/zinc/93/05/67/556930567.db2.gz ITMXOLVVLCTDDW-PHJXOXRPSA-N 0 0 434.517 2.807 40 0 IFABRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC)c(O)c1 ZINC000409056361 556934188 /nfs/dbraw/zinc/93/41/88/556934188.db2.gz DFMMMUKIMNKLKP-YBEGLDIGSA-N 0 0 428.466 2.557 40 0 IFABRN CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC000072370570 556935360 /nfs/dbraw/zinc/93/53/60/556935360.db2.gz BRQCNSGLTJRROP-OAHLLOKOSA-N 0 0 426.546 2.604 40 0 IFABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3ncccc3C(=O)N3CCOCC3)C2)cc1 ZINC000072370947 556936810 /nfs/dbraw/zinc/93/68/10/556936810.db2.gz LVXVOJLKDFOGMB-HXUWFJFHSA-N 0 0 437.540 2.901 40 0 IFABRN 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447.417 2.763 40 0 IFABRN Cc1nc(CN(C)C(=O)Cc2ccncc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000072380170 556957925 /nfs/dbraw/zinc/95/79/25/556957925.db2.gz HPJZBRCIZDIJED-UHFFFAOYSA-N 0 0 433.487 3.000 40 0 IFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000020006861 556958695 /nfs/dbraw/zinc/95/86/95/556958695.db2.gz CQMYLUKQVZQDEP-HXUWFJFHSA-N 0 0 439.537 2.605 40 0 IFABRN COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000020011943 556960690 /nfs/dbraw/zinc/96/06/90/556960690.db2.gz AZIFPNWYMCDNDI-CYBMUJFWSA-N 0 0 426.922 2.855 40 0 IFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000020013040 556960918 /nfs/dbraw/zinc/96/09/18/556960918.db2.gz FGQPFFIOYBPWPP-CYBMUJFWSA-N 0 0 426.922 2.855 40 0 IFABRN COc1ccccc1S(=O)(=O)N(C)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000072391108 556961541 /nfs/dbraw/zinc/96/15/41/556961541.db2.gz BGFDAMGCTNOEAN-UHFFFAOYSA-N 0 0 430.526 2.820 40 0 IFABRN COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 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/nfs/dbraw/zinc/98/22/60/556982260.db2.gz CDQOSUJZHIMUHT-UHFFFAOYSA-N 0 0 425.337 2.917 40 0 IFABRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000020111169 556985742 /nfs/dbraw/zinc/98/57/42/556985742.db2.gz JJCBMMCQDMELBL-UHFFFAOYSA-N 0 0 426.542 2.880 40 0 IFABRN CC[C@@H](NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020111005 556985756 /nfs/dbraw/zinc/98/57/56/556985756.db2.gz YYBHYRMVWZURCT-GOSISDBHSA-N 0 0 436.530 2.746 40 0 IFABRN COc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)cc1 ZINC000409171023 556988051 /nfs/dbraw/zinc/98/80/51/556988051.db2.gz YLWSFGGNDBSWAI-UHFFFAOYSA-N 0 0 425.514 2.837 40 0 IFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000409194277 556993144 /nfs/dbraw/zinc/99/31/44/556993144.db2.gz JIDPJLQUZLBYNI-QGZVFWFLSA-N 0 0 449.548 2.630 40 0 IFABRN Cn1c(CN2CCOCC2)nnc1SCc1ccc(I)cc1 ZINC000409200596 556999868 /nfs/dbraw/zinc/99/98/68/556999868.db2.gz ISDXOQGYHFTWCZ-UHFFFAOYSA-N 0 0 430.315 2.544 40 0 IFABRN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1OCC ZINC000409201041 557000428 /nfs/dbraw/zinc/00/04/28/557000428.db2.gz LLADZBPTROIWPO-JQFNYASXSA-N 0 0 434.514 2.816 40 0 IFABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1 ZINC000409201406 557000523 /nfs/dbraw/zinc/00/05/23/557000523.db2.gz MMHISTNEBMAVNQ-WQRHYEAKSA-N 0 0 439.493 2.788 40 0 IFABRN COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(Br)c2)C1=O ZINC000409202386 557001332 /nfs/dbraw/zinc/00/13/32/557001332.db2.gz SEWKNVWCWSVEPT-ZROIWOOFSA-N 0 0 443.319 2.647 40 0 IFABRN COc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c(OC)cc1Cl ZINC000020245868 557003065 /nfs/dbraw/zinc/00/30/65/557003065.db2.gz WNZPSYVOCBHFHY-UHFFFAOYSA-N 0 0 427.910 2.852 40 0 IFABRN Cc1ccc(C(=O)NC[C@H]2CC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)CC2)c(=O)n1C ZINC000257314195 557004178 /nfs/dbraw/zinc/00/41/78/557004178.db2.gz UVSOYWXZXFXSLO-BXWFABGCSA-N 0 0 442.585 2.954 40 0 IFABRN COc1cc(Cl)c(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1OC ZINC000409209995 557004337 /nfs/dbraw/zinc/00/43/37/557004337.db2.gz HQLKDPRVSLGHRL-YNUIFBACSA-N 0 0 440.905 2.689 40 0 IFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)c(C)cc1OC ZINC000409215180 557009931 /nfs/dbraw/zinc/00/99/31/557009931.db2.gz XXZWABFMJQOOFP-PACYTGELSA-N 0 0 434.514 2.734 40 0 IFABRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1Cl ZINC000409224363 557018022 /nfs/dbraw/zinc/01/80/22/557018022.db2.gz JHXOFXILVJJRFL-UHFFFAOYSA-N 0 0 436.873 2.690 40 0 IFABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(O)cc2)C1=O ZINC000409240024 557021311 /nfs/dbraw/zinc/02/13/11/557021311.db2.gz JCFHGDNMPQOLAI-CPNJWEJPSA-N 0 0 432.436 2.723 40 0 IFABRN Cc1cc(C)cc(S(=O)(=O)N2Cc3ccnn3[C@@H](CC(=O)NCc3ccco3)C2)c1 ZINC000585095833 557033259 /nfs/dbraw/zinc/03/32/59/557033259.db2.gz OGKGQNPDGXXHJB-SFHVURJKSA-N 0 0 428.514 2.545 40 0 IFABRN C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)c1cn(C)c2ccccc12 ZINC000585096474 557033778 /nfs/dbraw/zinc/03/37/78/557033778.db2.gz PDGIXXSMYLBPPV-INIZCTEOSA-N 0 0 428.496 2.917 40 0 IFABRN Cc1nc(C)c(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102200 557035117 /nfs/dbraw/zinc/03/51/17/557035117.db2.gz PAGSOSKJXZNMNJ-GHTZIAJQSA-N 0 0 437.512 2.714 40 0 IFABRN Cn1nccc1C(=O)N1CCC2(C[C@@H](COCC3CC3)N(C(=O)c3ccccc3)C2)CC1 ZINC000585103854 557036442 /nfs/dbraw/zinc/03/64/42/557036442.db2.gz RYCOFLDPJGNTNY-NRFANRHFSA-N 0 0 436.556 2.984 40 0 IFABRN COC[C@@H]1CC2(CN1S(C)(=O)=O)CCN(C(=O)c1ccc(F)c(Cl)c1F)CC2 ZINC000585104051 557036443 /nfs/dbraw/zinc/03/64/43/557036443.db2.gz ZONJTLIVZBJOHA-LBPRGKRZSA-N 0 0 436.908 2.521 40 0 IFABRN C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCCN(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000585103229 557037237 /nfs/dbraw/zinc/03/72/37/557037237.db2.gz ACLHURMQRXUDSG-NTKDMRAZSA-N 0 0 442.581 2.902 40 0 IFABRN Cc1cccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC(=O)NC(C)C)n1 ZINC000585107185 557038229 /nfs/dbraw/zinc/03/82/29/557038229.db2.gz QTXLNFUHIKYREH-VWLOTQADSA-N 0 0 444.539 2.662 40 0 IFABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000409267705 557039618 /nfs/dbraw/zinc/03/96/18/557039618.db2.gz VYIDWSWILCFDPW-UHFFFAOYSA-N 0 0 441.303 2.640 40 0 IFABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000409267830 557039639 /nfs/dbraw/zinc/03/96/39/557039639.db2.gz PFBOBBLPPQKYNT-OAHLLOKOSA-N 0 0 433.530 2.628 40 0 IFABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000409267828 557039712 /nfs/dbraw/zinc/03/97/12/557039712.db2.gz PFBOBBLPPQKYNT-HNNXBMFYSA-N 0 0 433.530 2.628 40 0 IFABRN O=C(c1ccccc1)N1CCO[C@@]2(C1)C(=O)N(CC1CCOCC1)C[C@@H]2c1ccccc1 ZINC000585106668 557040904 /nfs/dbraw/zinc/04/09/04/557040904.db2.gz DZZDPFZGSDMSSS-ZEQKJWHPSA-N 0 0 434.536 2.950 40 0 IFABRN COc1cc(N2C(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013960224 557046456 /nfs/dbraw/zinc/04/64/56/557046456.db2.gz HMFVNIBUVSOZIM-RDGPPVDQSA-N 0 0 447.896 2.848 40 0 IFABRN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 ZINC000409343226 557070469 /nfs/dbraw/zinc/07/04/69/557070469.db2.gz DCGDHTVQISCIPG-UHFFFAOYSA-N 0 0 425.514 2.793 40 0 IFABRN COc1ccc2c(C)c(CC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c(=O)oc2c1C ZINC000208173643 557078740 /nfs/dbraw/zinc/07/87/40/557078740.db2.gz SVIHOCZSGOJFBC-DLBZAZTESA-N 0 0 434.492 2.769 40 0 IFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)CC1 ZINC000409376532 557087532 /nfs/dbraw/zinc/08/75/32/557087532.db2.gz YVYTVZAMAWXCQZ-UHFFFAOYSA-N 0 0 431.558 2.647 40 0 IFABRN COc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409376852 557092691 /nfs/dbraw/zinc/09/26/91/557092691.db2.gz DKPMYLHCVVBHQP-MRXNPFEDSA-N 0 0 441.875 2.850 40 0 IFABRN CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)N2CCCCCC2)C(=O)N(C)C1=O ZINC000409377464 557093014 /nfs/dbraw/zinc/09/30/14/557093014.db2.gz IJMVILLOFVUPKH-UHFFFAOYSA-N 0 0 448.520 2.635 40 0 IFABRN O=C(COc1ccc([C@@H]2CC(=O)N=C3N=CNN32)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409378071 557093364 /nfs/dbraw/zinc/09/33/64/557093364.db2.gz NDTFRKRMBDASJO-INIZCTEOSA-N 0 0 431.374 2.899 40 0 IFABRN CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409379188 557094245 /nfs/dbraw/zinc/09/42/45/557094245.db2.gz VNKOPMJNBMHYOR-QGZVFWFLSA-N 0 0 435.484 2.896 40 0 IFABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000409392264 557096948 /nfs/dbraw/zinc/09/69/48/557096948.db2.gz QSONOXDVTUPVBH-HXUWFJFHSA-N 0 0 428.554 2.989 40 0 IFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000409390133 557101329 /nfs/dbraw/zinc/10/13/29/557101329.db2.gz JOJOPOBLGVAVIJ-LJQANCHMSA-N 0 0 434.514 2.560 40 0 IFABRN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000000780776 557116108 /nfs/dbraw/zinc/11/61/08/557116108.db2.gz YXSPBTZLGDJWTK-UHFFFAOYSA-N 0 0 426.897 2.529 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3cccc(C)c3)C2)cc1 ZINC000023796810 557116437 /nfs/dbraw/zinc/11/64/37/557116437.db2.gz BDNQVHUEBQWFDC-GOSISDBHSA-N 0 0 432.542 2.600 40 0 IFABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000040717564 557119944 /nfs/dbraw/zinc/11/99/44/557119944.db2.gz PONLJJITZAODSF-UHFFFAOYSA-N 0 0 430.457 2.588 40 0 IFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000001098558 557121067 /nfs/dbraw/zinc/12/10/67/557121067.db2.gz ZGOAEASDCSCTII-CFINBHSISA-N 0 0 444.896 2.663 40 0 IFABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000101489925 557123873 /nfs/dbraw/zinc/12/38/73/557123873.db2.gz XJBDZSPQTFKDCT-CALCHBBNSA-N 0 0 447.532 2.665 40 0 IFABRN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCCc3ccc(O)cc3)CC2)cc1 ZINC000101498665 557123894 /nfs/dbraw/zinc/12/38/94/557123894.db2.gz GKTQTOWFIRFCQV-KDURUIRLSA-N 0 0 446.569 2.844 40 0 IFABRN O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000014944986 557126969 /nfs/dbraw/zinc/12/69/69/557126969.db2.gz UMWHVBTZIYRUQL-VDNWNZSNSA-N 0 0 425.847 2.910 40 0 IFABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102682542 557130827 /nfs/dbraw/zinc/13/08/27/557130827.db2.gz YDAZWDQJHIXODA-CEXWTWQISA-N 0 0 442.313 2.993 40 0 IFABRN CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000002938190 557135563 /nfs/dbraw/zinc/13/55/63/557135563.db2.gz KVROYZZTEJIIHG-KRWDZBQOSA-N 0 0 425.348 2.865 40 0 IFABRN Cn1c(CNC(=O)CN2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)nc2ccccc21 ZINC000585183569 557139406 /nfs/dbraw/zinc/13/94/06/557139406.db2.gz VIBOQRNJHPLNCU-HXUWFJFHSA-N 0 0 447.518 2.875 40 0 IFABRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CCCC1 ZINC000302110366 557142436 /nfs/dbraw/zinc/14/24/36/557142436.db2.gz WBCMWHRDVXNFBK-GOSISDBHSA-N 0 0 437.359 2.961 40 0 IFABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000216392321 557144903 /nfs/dbraw/zinc/14/49/03/557144903.db2.gz GXEVRWAZCKGAAH-QGZVFWFLSA-N 0 0 432.542 2.738 40 0 IFABRN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]12 ZINC000006136143 557145689 /nfs/dbraw/zinc/14/56/89/557145689.db2.gz ONLBMTKUPJXPHO-CXDKZYLESA-N 0 0 438.094 2.848 40 0 IFABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCN3CCOCC3)c2)cc1 ZINC000216486535 557147807 /nfs/dbraw/zinc/14/78/07/557147807.db2.gz XYXLBLIZTMYXGS-UHFFFAOYSA-N 0 0 437.949 2.511 40 0 IFABRN CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(OCc4ccccc4)cc3)N2N1 ZINC000588225125 557151750 /nfs/dbraw/zinc/15/17/50/557151750.db2.gz SIDIEQDVCUSHMK-JOCHJYFZSA-N 0 0 428.517 2.772 40 0 IFABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(OC)c(OCC)c3)N2N1 ZINC000588225665 557152585 /nfs/dbraw/zinc/15/25/85/557152585.db2.gz LEVFBJHLRGBFGL-OAQYLSRUSA-N 0 0 438.553 2.770 40 0 IFABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(OC)c(OCC)c3)N2N1 ZINC000588225664 557152678 /nfs/dbraw/zinc/15/26/78/557152678.db2.gz LEVFBJHLRGBFGL-NRFANRHFSA-N 0 0 438.553 2.770 40 0 IFABRN Cc1cccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4F)NN32)n1 ZINC000588226196 557152888 /nfs/dbraw/zinc/15/28/88/557152888.db2.gz 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/nfs/dbraw/zinc/24/78/44/569247844.db2.gz JUWUVIGFQLFLKP-UHFFFAOYSA-N 0 0 443.504 2.932 40 0 IFABRN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 ZINC000034888675 569247968 /nfs/dbraw/zinc/24/79/68/569247968.db2.gz CEHXMPJVVPTWPR-UHFFFAOYSA-N 0 0 439.541 2.835 40 0 IFABRN CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000038179374 569248791 /nfs/dbraw/zinc/24/87/91/569248791.db2.gz LVEUDJUHXQEPTN-SFHVURJKSA-N 0 0 435.484 2.896 40 0 IFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c(OC)c1 ZINC000138836889 569254245 /nfs/dbraw/zinc/25/42/45/569254245.db2.gz XWCDQGZQHCNGLJ-INIZCTEOSA-N 0 0 426.469 2.855 40 0 IFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000138947289 569254379 /nfs/dbraw/zinc/25/43/79/569254379.db2.gz CVNODTVHTJBQSV-UHFFFAOYSA-N 0 0 432.498 2.608 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000139029197 569254434 /nfs/dbraw/zinc/25/44/34/569254434.db2.gz JAYFYQTVGISBIF-UHFFFAOYSA-N 0 0 440.452 2.967 40 0 IFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(F)c(F)c1)CC(=O)N2 ZINC000139117433 569254761 /nfs/dbraw/zinc/25/47/61/569254761.db2.gz YXXVEYCJSOKWTF-CHWSQXEVSA-N 0 0 431.443 2.882 40 0 IFABRN COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)c1 ZINC000139142789 569254922 /nfs/dbraw/zinc/25/49/22/569254922.db2.gz RMFAAKBHTNGLNE-INIZCTEOSA-N 0 0 426.469 2.855 40 0 IFABRN [NH3+][C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000252515215 569288173 /nfs/dbraw/zinc/28/81/73/569288173.db2.gz HWWKMWIHOCUIIC-IIAWOOMASA-N 0 0 430.707 2.824 40 0 IFABRN Cc1ccc2c(cc3c(=O)n(CC(=O)N[C@@H](C)c4ccc5c(c4)OCCO5)nc(C)n32)c1 ZINC000009971677 569298789 /nfs/dbraw/zinc/29/87/89/569298789.db2.gz JDQPGPPZXKDVDD-HNNXBMFYSA-N 0 0 432.480 2.915 40 0 IFABRN O=S(=O)(c1ccc(Br)cc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000020553675 569374605 /nfs/dbraw/zinc/37/46/05/569374605.db2.gz ZNONECZVYKGCGR-HNNXBMFYSA-N 0 0 428.329 2.955 40 0 IFABRN CC(C)(C)OC(=O)CCOCCOCCOCCOCCOc1ccc(C=O)cc1 ZINC000096308255 569392312 /nfs/dbraw/zinc/39/23/12/569392312.db2.gz QVWIJQYADDDNJZ-UHFFFAOYSA-N 0 0 426.506 2.676 40 0 IFABRN O=c1[nH]c(-c2cccc(I)c2)nc2nc(Br)cnc12 ZINC000225733822 569407624 /nfs/dbraw/zinc/40/76/24/569407624.db2.gz AUKOMLBIZITXIZ-UHFFFAOYSA-N 0 0 429.015 2.747 40 0 IFABRN CCOC(=O)[C@@]1(N)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218226979 569456771 /nfs/dbraw/zinc/45/67/71/569456771.db2.gz GZGANBDTTBPFOX-JENIJYKNSA-N 0 0 438.343 2.958 40 0 IFABRN CCOC(=O)[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218226913 569456797 /nfs/dbraw/zinc/45/67/97/569456797.db2.gz GZGANBDTTBPFOX-AOIWGVFYSA-N 0 0 438.343 2.958 40 0 IFABRN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)NCc3cccs3)cc2C[C@@H]1C ZINC000009428942 569533606 /nfs/dbraw/zinc/53/36/06/569533606.db2.gz LNVDIRRYAQMMPK-VBKZILBWSA-N 0 0 447.582 2.515 40 0 IFABRN COC(=O)c1ccc(OC)c(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)c1 ZINC000328970340 569583663 /nfs/dbraw/zinc/58/36/63/569583663.db2.gz DJFGQUDUVCKROB-IBGZPJMESA-N 0 0 437.500 3.506 40 0 IFABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(c2nccnc2Nc2nc(C)cc(C)n2)CC1 ZINC000585292861 569584878 /nfs/dbraw/zinc/58/48/78/569584878.db2.gz SZAXYCAHTRDGLX-VOTSOKGWSA-N 0 0 446.559 3.397 40 0 IFABRN COc1cccc(N2C[C@@H](C(=O)N3CC(c4nc(Cc5ccccc5)no4)C3)CC2=O)c1 ZINC000077190677 569585862 /nfs/dbraw/zinc/58/58/62/569585862.db2.gz AHKNXVJKDVHXOB-KRWDZBQOSA-N 0 0 432.480 2.648 40 0 IFABRN COc1ccc(N(CC(=O)N2C[C@H](C)C[C@H](C)C2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239911 569587072 /nfs/dbraw/zinc/58/70/72/569587072.db2.gz LXEVJRVATKHQGR-IYBDPMFKSA-N 0 0 448.589 2.745 40 0 IFABRN CC1=C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320873 291341860 /nfs/dbraw/zinc/34/18/60/291341860.db2.gz LEMFYBPBNROVGX-BQFCYCMXSA-N 0 0 425.512 2.902 40 0 biogenic,in-vitro IFABRN CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NS(=O)(=O)Cc1ccccc1 ZINC000067890321 291341879 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0 448.541 2.888 40 0 IFABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)cc1 ZINC000018706305 522526249 /nfs/dbraw/zinc/52/62/49/522526249.db2.gz PAIRXUCRYHLNCX-FQEVSTJZSA-N 0 0 448.541 2.606 40 0 IFABRN CCc1nccn1C[C@H](C)C(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1 ZINC000072345688 522585585 /nfs/dbraw/zinc/58/55/85/522585585.db2.gz MPDVKPATHALUME-KRWDZBQOSA-N 0 0 446.555 2.574 40 0 IFABRN COc1cc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)c(OC)cc1Cl ZINC000020450083 522638678 /nfs/dbraw/zinc/63/86/78/522638678.db2.gz JOBUZJSJKQRXAN-BQYQJAHWSA-N 0 0 428.894 2.994 40 0 IFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3cccs3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466820 522778295 /nfs/dbraw/zinc/77/82/95/522778295.db2.gz LFNAFXSHQQEKBG-NARJSYQGSA-N 0 0 436.618 2.955 40 0 biogenic,in-vitro IFABRN CN(CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000022334510 522847717 /nfs/dbraw/zinc/84/77/17/522847717.db2.gz UXERZAVBWICIEP-UHFFFAOYSA-N 0 0 429.464 2.724 40 0 IFABRN COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@@H]1C ZINC000020467090 522957724 /nfs/dbraw/zinc/95/77/24/522957724.db2.gz BJGQPUPLKOIZNJ-SICCFQPGSA-N 0 0 434.577 2.877 40 0 biogenic,in-vitro IFABRN COc1cc2c(cc1OC)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)N(C(C)=O)CC2 ZINC000035314773 523048901 /nfs/dbraw/zinc/04/89/01/523048901.db2.gz RPKYAKVNXVVVOD-HSZRJFAPSA-N 0 0 436.464 2.811 40 0 IFABRN COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3cccc4cccnc43)nc21 ZINC000019697953 523285782 /nfs/dbraw/zinc/28/57/82/523285782.db2.gz MVZWHHBHBZUBOB-UHFFFAOYSA-N 0 0 433.512 2.921 40 0 IFABRN CCn1c2nc(-c3cccc(OC)c3)nc(C(N)=O)c2n(CC(=O)c2ccc(C)cc2)c1=O ZINC000012251445 523297325 /nfs/dbraw/zinc/29/73/25/523297325.db2.gz XULUIHPHSXWKNN-UHFFFAOYSA-N 0 0 445.479 2.579 40 0 IFABRN CCn1c2nc(-c3ccc(F)cc3)nc(C(N)=O)c2n(CC(=O)c2ccccc2F)c1=O ZINC000012276797 523297822 /nfs/dbraw/zinc/29/78/22/523297822.db2.gz GHUZLWSJYKMTMI-UHFFFAOYSA-N 0 0 437.406 2.540 40 0 IFABRN CCn1c2nc(-c3ccc(F)cc3)nc(C(N)=O)c2n(CC(=O)c2ccc(F)cc2)c1=O ZINC000012276792 523297862 /nfs/dbraw/zinc/29/78/62/523297862.db2.gz PNXJVHWICBGQIL-UHFFFAOYSA-N 0 0 437.406 2.540 40 0 IFABRN COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000022226867 523700892 /nfs/dbraw/zinc/70/08/92/523700892.db2.gz TUIDJGSDQPXCPU-UHFFFAOYSA-N 0 0 432.542 2.851 40 0 IFABRN COc1ccc(CCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1OC ZINC000022340660 523934519 /nfs/dbraw/zinc/93/45/19/523934519.db2.gz KGXOBOIRIOMCOY-UHFFFAOYSA-N 0 0 434.558 2.836 40 0 IFABRN CCc1ccc(N(CC(=O)NCCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000022361711 523959089 /nfs/dbraw/zinc/95/90/89/523959089.db2.gz BKFLBRGRBKAREJ-UHFFFAOYSA-N 0 0 434.558 2.781 40 0 IFABRN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(Cl)cc3)c(=O)n12 ZINC000035982220 523999439 /nfs/dbraw/zinc/99/94/39/523999439.db2.gz AJQGTQBEYHJKPB-UNONDDSJSA-N 0 0 440.908 2.512 40 0 IFABRN COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000012637368 524074021 /nfs/dbraw/zinc/07/40/21/524074021.db2.gz SWDPBTNMTXOOHB-INIZCTEOSA-N 0 0 438.571 2.737 40 0 IFABRN C[C@@H](C(=O)NCc1ccccc1-n1ccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020490326 524212924 /nfs/dbraw/zinc/21/29/24/524212924.db2.gz SQFYZVYZYUULQQ-HNNXBMFYSA-N 0 0 432.933 2.997 40 0 IFABRN C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cccnc4)CC3)n2)C1 ZINC000012133506 524249915 /nfs/dbraw/zinc/24/99/15/524249915.db2.gz CFXINFULQZNGTL-MRXNPFEDSA-N 0 0 443.573 2.531 40 0 IFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1ncc(C(=O)N2CCCC2)c(C)n1 ZINC000019755995 524325344 /nfs/dbraw/zinc/32/53/44/524325344.db2.gz RYUKJTQGAAMAHE-KRWDZBQOSA-N 0 0 448.520 2.695 40 0 IFABRN COc1ccccc1CC(=O)N1CCC(O)(Cn2ncc3cc(NC(C)=O)ccc32)CC1 ZINC000019022734 524379400 /nfs/dbraw/zinc/37/94/00/524379400.db2.gz OALDVHMMTPTGNI-UHFFFAOYSA-N 0 0 436.512 2.600 40 0 IFABRN Cc1ccc(CN(c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(C)(=O)=O)cc1 ZINC000022231554 524424320 /nfs/dbraw/zinc/42/43/20/524424320.db2.gz VVZISJMSTMCJJS-OAQYLSRUSA-N 0 0 432.542 2.635 40 0 IFABRN Cc1cccc(Cn2c3nnc(-c4ccc(Cl)cc4)n3c3c2c(=O)n(C)c(=O)n3C)c1 ZINC000010968732 524493658 /nfs/dbraw/zinc/49/36/58/524493658.db2.gz XXGPKHZQHDJUAY-UHFFFAOYSA-N 0 0 434.887 2.759 40 0 IFABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1OC ZINC000016227504 524503989 /nfs/dbraw/zinc/50/39/89/524503989.db2.gz LWGGTJNTONEFFM-UHFFFAOYSA-N 0 0 434.514 2.942 40 0 IFABRN COc1ccccc1N(CC(=O)NCCCc1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000022362594 524528000 /nfs/dbraw/zinc/52/80/00/524528000.db2.gz NWTHVLGLTVYOSR-UHFFFAOYSA-N 0 0 434.558 2.997 40 0 IFABRN COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000016267412 524546499 /nfs/dbraw/zinc/54/64/99/524546499.db2.gz IRCKXJYTCNCKCN-UHFFFAOYSA-N 0 0 445.585 2.590 40 0 IFABRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1C ZINC000022249279 524600614 /nfs/dbraw/zinc/60/06/14/524600614.db2.gz BPHCHYLAKBLESQ-UHFFFAOYSA-N 0 0 438.933 2.995 40 0 IFABRN Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000018202099 524644967 /nfs/dbraw/zinc/64/49/67/524644967.db2.gz HJTOEDZQRGMYPR-UHFFFAOYSA-N 0 0 434.583 2.679 40 0 IFABRN COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000020493063 524971155 /nfs/dbraw/zinc/97/11/55/524971155.db2.gz RPVABGKZDZZVRS-JKSUJKDBSA-N 0 0 438.571 2.741 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000022524279 525023092 /nfs/dbraw/zinc/02/30/92/525023092.db2.gz IFDHBNZEHLAOAN-UHFFFAOYSA-N 0 0 440.525 2.595 40 0 IFABRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1C ZINC000022249293 525068301 /nfs/dbraw/zinc/06/83/01/525068301.db2.gz COZQZXZWAYJZEW-UHFFFAOYSA-N 0 0 438.933 2.995 40 0 IFABRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c(C)c1 ZINC000022249282 525069490 /nfs/dbraw/zinc/06/94/90/525069490.db2.gz SLQSWAVKKPNOBY-UHFFFAOYSA-N 0 0 438.933 2.995 40 0 IFABRN COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(C)cc4)no3)N(C)C2)cc1 ZINC000012529758 525077240 /nfs/dbraw/zinc/07/72/40/525077240.db2.gz GJBOIMDRDPBNQT-LPHOPBHVSA-N 0 0 428.514 2.777 40 0 biogenic,in-vitro IFABRN COc1ccc(SCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1OC ZINC000020483114 525098127 /nfs/dbraw/zinc/09/81/27/525098127.db2.gz OMKKHMXGGYJUED-UHFFFAOYSA-N 0 0 436.555 2.636 40 0 IFABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCc2ccccn2)cc1 ZINC000022231019 525157744 /nfs/dbraw/zinc/15/77/44/525157744.db2.gz NVNRJKPWWFMRGV-UHFFFAOYSA-N 0 0 425.510 2.743 40 0 IFABRN Cc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)[C@H]1CSC(=O)C1 ZINC000015935971 525216938 /nfs/dbraw/zinc/21/69/38/525216938.db2.gz LFYSGRLLMMPJFN-MRXNPFEDSA-N 0 0 426.494 2.653 40 0 IFABRN COc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC ZINC000020486349 525303959 /nfs/dbraw/zinc/30/39/59/525303959.db2.gz BAXWMZWBFAPMGE-HNNXBMFYSA-N 0 0 436.530 2.664 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3nc(-c4ccccc4)no3)C2)cc1 ZINC000022255506 525530680 /nfs/dbraw/zinc/53/06/80/525530680.db2.gz ZACFDOMDSSHVON-GOSISDBHSA-N 0 0 440.525 2.762 40 0 IFABRN Cc1ccc(SCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000020245116 525656861 /nfs/dbraw/zinc/65/68/61/525656861.db2.gz GGGMJRQMIXGAEX-UHFFFAOYSA-N 0 0 425.551 2.655 40 0 IFABRN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000012155569 525684344 /nfs/dbraw/zinc/68/43/44/525684344.db2.gz AMELYIMOUPJSFT-QAPCUYQASA-N 0 0 428.489 2.629 40 0 IFABRN COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)Cc4ccccn4)C3)nc2C)c1 ZINC000072351978 526007991 /nfs/dbraw/zinc/00/79/91/526007991.db2.gz YYOAHIPKYSXXKQ-LJQANCHMSA-N 0 0 445.523 2.677 40 0 IFABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)on1 ZINC000012127953 526046068 /nfs/dbraw/zinc/04/60/68/526046068.db2.gz JGRUHJHVEFSYAO-OAHLLOKOSA-N 0 0 442.497 2.780 40 0 IFABRN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1N1CCCCS1(=O)=O ZINC000021756425 526112808 /nfs/dbraw/zinc/11/28/08/526112808.db2.gz ZFARLHBMWSFZNZ-UHFFFAOYSA-N 0 0 427.570 2.883 40 0 IFABRN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000012891417 526394512 /nfs/dbraw/zinc/39/45/12/526394512.db2.gz KRMUSJBFIHWDDU-CHQSNSNVSA-N 0 0 441.531 2.851 40 0 IFABRN Cc1noc2nc([C@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)cc(C(F)(F)F)c12 ZINC000019131010 526682922 /nfs/dbraw/zinc/68/29/22/526682922.db2.gz AXGUVJXEHHSGLY-ZDUSSCGKSA-N 0 0 435.406 2.821 40 0 IFABRN O=C(CN1CCC(n2c(=O)oc3ccccc32)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012143877 526731173 /nfs/dbraw/zinc/73/11/73/526731173.db2.gz ZNYSSDAECJVDTB-UHFFFAOYSA-N 0 0 438.503 2.719 40 0 IFABRN O=C(NCc1ccccc1)[C@H]1[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@@H]1O3 ZINC000012892242 526737904 /nfs/dbraw/zinc/73/79/04/526737904.db2.gz KQJNAGFUOFNHFR-LNEBKTTKSA-N 0 0 427.504 2.809 40 0 IFABRN Cc1nc(C2CCN(C(=O)c3ccnn3C)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766591 526779266 /nfs/dbraw/zinc/77/92/66/526779266.db2.gz JPEOFAKBYAFATL-UHFFFAOYSA-N 0 0 436.491 2.607 40 0 IFABRN O=C(CN1CC[C@]2(CCC1=O)Nc1ccccc1C(=O)N2)Nc1nc2c(s1)CCCC2 ZINC000012085603 526812002 /nfs/dbraw/zinc/81/20/02/526812002.db2.gz XGNWJKSHUSTBLS-JOCHJYFZSA-N 0 0 439.541 2.525 40 0 IFABRN O=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCNc3ccccn3)cc21)C1CCCC1 ZINC000072345868 527070817 /nfs/dbraw/zinc/07/08/17/527070817.db2.gz CUROWRDPUXWNAH-FQEVSTJZSA-N 0 0 428.558 2.766 40 0 IFABRN O=C(Nc1ccc(F)cc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000012709890 527200257 /nfs/dbraw/zinc/20/02/57/527200257.db2.gz CYQVRBZBYVGFQF-UHFFFAOYSA-N 0 0 427.432 2.855 40 0 IFABRN O=C(Cc1ccc2c(c1)OCCO2)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022227423 527250885 /nfs/dbraw/zinc/25/08/85/527250885.db2.gz WUURITBRIOQKBL-UHFFFAOYSA-N 0 0 444.553 2.534 40 0 IFABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000022509768 527385578 /nfs/dbraw/zinc/38/55/78/527385578.db2.gz LZBPBGRWQACLFQ-SFHVURJKSA-N 0 0 444.582 2.959 40 0 IFABRN O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCC3)ncc1-2)Nc1ccccc1Cl ZINC000012236856 527418301 /nfs/dbraw/zinc/41/83/01/527418301.db2.gz VWJKTRQPGDJNMQ-UHFFFAOYSA-N 0 0 436.903 2.691 40 0 IFABRN Nc1c2cc3c(nc2sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCCCC3 ZINC000015277079 527438120 /nfs/dbraw/zinc/43/81/20/527438120.db2.gz KIVYFKCHEWYSAC-UHFFFAOYSA-N 0 0 444.582 2.767 40 0 IFABRN O=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1-c1ccccc1 ZINC000015162217 527450763 /nfs/dbraw/zinc/45/07/63/527450763.db2.gz OAIVEZBPKXYXFV-UHFFFAOYSA-N 0 0 448.907 2.536 40 0 IFABRN Nc1nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)ccc1C(=O)N1CCOCC1 ZINC000019765950 527548338 /nfs/dbraw/zinc/54/83/38/527548338.db2.gz HIKLSGZEGRMHBF-UHFFFAOYSA-N 0 0 445.523 2.704 40 0 IFABRN Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCC1)CC2 ZINC000072345829 527626009 /nfs/dbraw/zinc/62/60/09/527626009.db2.gz NFOTYCSTDVXJGP-JOCHJYFZSA-N 0 0 444.601 2.852 40 0 IFABRN COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccoc3C)n2C)CC1 ZINC000013511978 537065248 /nfs/dbraw/zinc/06/52/48/537065248.db2.gz ZEPJCQYTTOAOEA-UHFFFAOYSA-N 0 0 427.530 2.833 40 0 IFABRN COc1cc(CO)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000034772912 555509001 /nfs/dbraw/zinc/50/90/01/555509001.db2.gz LSADUZFZRFPWQY-UHFFFAOYSA-N 0 0 431.201 2.949 40 0 IFABRN NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000034920830 555565218 /nfs/dbraw/zinc/56/52/18/555565218.db2.gz OUNCECNGHNDLNW-UHFFFAOYSA-N 0 0 425.251 2.517 40 0 IFABRN CCN(CC)C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000000901004 555581165 /nfs/dbraw/zinc/58/11/65/555581165.db2.gz IVAAOQSUXXOLPY-UHFFFAOYSA-N 0 0 438.575 2.872 40 0 IFABRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)c1 ZINC000000929217 555585413 /nfs/dbraw/zinc/58/54/13/555585413.db2.gz ULXCZNDRJLLZQB-UHFFFAOYSA-N 0 0 428.470 2.862 40 0 IFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCO)C(=S)Nc1ccc(F)cc1)OCCO3 ZINC000009704185 555603716 /nfs/dbraw/zinc/60/37/16/555603716.db2.gz XCURBPKKCSDKHQ-UHFFFAOYSA-N 0 0 429.473 2.630 40 0 IFABRN COc1ccc(C(=O)Cc2c(CC[NH+](C)C)cc3c(c2OC)OCO3)c(C(=O)[O-])c1OC ZINC000001531508 555702831 /nfs/dbraw/zinc/70/28/31/555702831.db2.gz DEXMFYZAHXMZNM-UHFFFAOYSA-N 0 0 445.468 2.669 40 0 endogenous,in-man IFABRN COc1ccc([C@H]2NC(=S)N3[C@@H](c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC ZINC000001716096 555710651 /nfs/dbraw/zinc/71/06/51/555710651.db2.gz IFSLBHIBVNZLNQ-ROUUACIJSA-N 0 0 446.554 2.714 40 0 IFABRN NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000408527020 555716347 /nfs/dbraw/zinc/71/63/47/555716347.db2.gz CZPVZTQPCZJIBT-LJQANCHMSA-N 0 0 437.521 2.978 40 0 IFABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCCCO ZINC000408533311 555746232 /nfs/dbraw/zinc/74/62/32/555746232.db2.gz QFNMNZMNNNIVMT-UHFFFAOYSA-N 0 0 433.313 2.672 40 0 IFABRN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134191 555746994 /nfs/dbraw/zinc/74/69/94/555746994.db2.gz PSWBNFCDLVFUFQ-OAGGEKHMSA-N 0 0 434.496 2.563 40 0 IFABRN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134066 555747003 /nfs/dbraw/zinc/74/70/03/555747003.db2.gz DKARJKOEVWXOJB-ZACQAIPSSA-N 0 0 448.523 2.871 40 0 IFABRN 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KUBCAVHWQMRMNB-UHFFFAOYSA-N 0 0 448.289 2.979 40 0 IFABRN CCCCCCS(=O)(=O)CCOC[C@H](CS(=O)(=O)CCCCCC)OC(C)=O ZINC000016638347 556619276 /nfs/dbraw/zinc/61/92/76/556619276.db2.gz LGRAJBZLDRHPSX-LJQANCHMSA-N 0 0 442.640 2.925 40 0 IFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[nH]c(=O)c32)c(F)c1 ZINC000038828198 556620132 /nfs/dbraw/zinc/62/01/32/556620132.db2.gz BRNWCNXQKGDXKW-MJBXVCDLSA-N 0 0 427.480 2.764 40 0 IFABRN COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)c1 ZINC000038828479 556620384 /nfs/dbraw/zinc/62/03/84/556620384.db2.gz YIAMWWRGSRWYIH-XEZPLFJOSA-N 0 0 425.489 2.610 40 0 IFABRN Cc1nn2c(nnc3c2ccn(-c2ncccn2)c3=O)c1-c1ccc(Br)cc1 ZINC000038828566 556620742 /nfs/dbraw/zinc/62/07/42/556620742.db2.gz RSFFAMIDXZRECV-UHFFFAOYSA-N 0 0 434.257 2.956 40 0 IFABRN Cc1ccc(CSCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 ZINC000038837314 556623403 /nfs/dbraw/zinc/62/34/03/556623403.db2.gz YXTLZEFUSRODOT-HXUWFJFHSA-N 0 0 434.583 2.880 40 0 IFABRN CS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccccc2Cl)Oc2ccccc21 ZINC000038837490 556623769 /nfs/dbraw/zinc/62/37/69/556623769.db2.gz NSSMPOBIFISTNA-SFHVURJKSA-N 0 0 440.974 2.917 40 0 IFABRN CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2cccc(Cl)c2)Oc2ccccc21 ZINC000038848507 556623791 /nfs/dbraw/zinc/62/37/91/556623791.db2.gz KQSHWQWXKHKTEJ-GOSISDBHSA-N 0 0 440.974 2.917 40 0 IFABRN CCCCCC(=O)N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514289630 556623985 /nfs/dbraw/zinc/62/39/85/556623985.db2.gz XGOSVVBEUXEVHR-IRFCIJBXSA-N 0 0 443.510 2.652 40 0 biogenic,in-vitro IFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(NC(C)=O)c2)cc1Cl ZINC000016692713 556627953 /nfs/dbraw/zinc/62/79/53/556627953.db2.gz ASQMMLQEYGTDJF-UHFFFAOYSA-N 0 0 439.921 2.956 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000039986129 556632393 /nfs/dbraw/zinc/63/23/93/556632393.db2.gz XPVVZIDAWCWDIL-UHFFFAOYSA-N 0 0 434.514 2.911 40 0 IFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000040390479 556637219 /nfs/dbraw/zinc/63/72/19/556637219.db2.gz QEJGZXVOGCBZPE-HOCLYGCPSA-N 0 0 425.489 2.612 40 0 IFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040390625 556637258 /nfs/dbraw/zinc/63/72/58/556637258.db2.gz YSHGITFKPHSHGR-GJZGRUSLSA-N 0 0 439.516 2.920 40 0 IFABRN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 ZINC000016755990 556638980 /nfs/dbraw/zinc/63/89/80/556638980.db2.gz KALOXYRPHFJWFI-UHFFFAOYSA-N 0 0 427.486 2.560 40 0 IFABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 ZINC000040399183 556641524 /nfs/dbraw/zinc/64/15/24/556641524.db2.gz HGQLEYXICMPQSG-MRXNPFEDSA-N 0 0 432.440 2.536 40 0 IFABRN CCOC(=O)CNC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 ZINC000016789340 556642152 /nfs/dbraw/zinc/64/21/52/556642152.db2.gz FFYXNKSVSSPQQV-UHFFFAOYSA-N 0 0 440.525 2.926 40 0 IFABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)cc1 ZINC000040399934 556642747 /nfs/dbraw/zinc/64/27/47/556642747.db2.gz ZTQARCLKVWLLGL-OAHLLOKOSA-N 0 0 449.467 2.904 40 0 IFABRN COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040400037 556643058 /nfs/dbraw/zinc/64/30/58/556643058.db2.gz ZSAWGASZUKSPRZ-OAHLLOKOSA-N 0 0 447.451 2.789 40 0 IFABRN COc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC ZINC000044838630 556668145 /nfs/dbraw/zinc/66/81/45/556668145.db2.gz LLIFSMQNLMXJOO-UHFFFAOYSA-N 0 0 426.922 2.748 40 0 IFABRN CCOc1ccc(CCCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000044851512 556670448 /nfs/dbraw/zinc/67/04/48/556670448.db2.gz AVGFVSMUCPEGID-NRFANRHFSA-N 0 0 432.542 2.751 40 0 IFABRN CCOc1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 ZINC000044851500 556670486 /nfs/dbraw/zinc/67/04/86/556670486.db2.gz CSPWPKLUZGHZOD-NRFANRHFSA-N 0 0 432.542 2.670 40 0 IFABRN Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044852697 556671068 /nfs/dbraw/zinc/67/10/68/556671068.db2.gz MVFZNYDLDZAWRR-AUUYWEPGSA-N 0 0 438.933 2.759 40 0 IFABRN Cc1nccn1Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000044910532 556680727 /nfs/dbraw/zinc/68/07/27/556680727.db2.gz VHVAPSGQNNSMFK-UHFFFAOYSA-N 0 0 438.553 2.695 40 0 IFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 ZINC000044911959 556680894 /nfs/dbraw/zinc/68/08/94/556680894.db2.gz BHGHPDFCIYDVJZ-IBGZPJMESA-N 0 0 432.498 2.728 40 0 IFABRN CCOc1ccccc1CNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044932006 556682141 /nfs/dbraw/zinc/68/21/41/556682141.db2.gz ZRSZANNQPCCLLA-IBGZPJMESA-N 0 0 438.933 2.972 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1Cl ZINC000044939945 556683340 /nfs/dbraw/zinc/68/33/40/556683340.db2.gz NDHNNUJXRPFUCM-QGZVFWFLSA-N 0 0 438.889 2.682 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1Cl ZINC000044939941 556683344 /nfs/dbraw/zinc/68/33/44/556683344.db2.gz NDHNNUJXRPFUCM-KRWDZBQOSA-N 0 0 438.889 2.682 40 0 IFABRN O=C(Nc1cccc(N2CCCC2=O)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000018092231 556683521 /nfs/dbraw/zinc/68/35/21/556683521.db2.gz CFLUTEDRRXHRGJ-UHFFFAOYSA-N 0 0 427.526 2.853 40 0 IFABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000044948601 556683841 /nfs/dbraw/zinc/68/38/41/556683841.db2.gz UVZUKBCSCZSGOC-HNNXBMFYSA-N 0 0 436.530 2.746 40 0 IFABRN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)CC1 ZINC000044949458 556684096 /nfs/dbraw/zinc/68/40/96/556684096.db2.gz HVJJJOFMHHUIOC-UHFFFAOYSA-N 0 0 429.542 2.641 40 0 IFABRN O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 ZINC000019014763 556692014 /nfs/dbraw/zinc/69/20/14/556692014.db2.gz OQCFKGFYXVRMBZ-UXHICEINSA-N 0 0 442.560 2.880 40 0 IFABRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)ccc1OCC(N)=O ZINC000000814175 556698777 /nfs/dbraw/zinc/69/87/77/556698777.db2.gz QDQOPXNKNUIZPF-NRFANRHFSA-N 0 0 438.484 2.524 40 0 IFABRN CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CCOCC4)C3)cc(=O)[nH]2)CC1 ZINC000019085286 556698930 /nfs/dbraw/zinc/69/89/30/556698930.db2.gz GMTKCEXDRQSJMF-LJQANCHMSA-N 0 0 444.576 2.677 40 0 IFABRN COc1ccc([C@H]2N(C(=O)c3cc4nc(C)cc(C)n4n3)CCC[C@]23CCC(=O)N3)cc1 ZINC000019116628 556699902 /nfs/dbraw/zinc/69/99/02/556699902.db2.gz YAJLVCDRAINCHK-VWNXMTODSA-N 0 0 433.512 2.981 40 0 IFABRN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3ccccn3)CC2)on1 ZINC000019123051 556701935 /nfs/dbraw/zinc/70/19/35/556701935.db2.gz HKRPFWVIFQDOPM-UHFFFAOYSA-N 0 0 434.500 2.691 40 0 IFABRN CC(=O)N1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)[C@@H](c2ccccc2)C1 ZINC000257318279 556703904 /nfs/dbraw/zinc/70/39/04/556703904.db2.gz VNFVDUXIDQSRKR-JOCHJYFZSA-N 0 0 435.524 2.733 40 0 IFABRN O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000013626209 556704391 /nfs/dbraw/zinc/70/43/91/556704391.db2.gz XVFQESNBXYQSTJ-PBZQEHOFSA-N 0 0 428.488 2.934 40 0 IFABRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 ZINC000019211900 556709445 /nfs/dbraw/zinc/70/94/45/556709445.db2.gz SBFGQAHKMLGSQZ-GOSISDBHSA-N 0 0 444.553 2.632 40 0 IFABRN Cc1ccc(-n2ncc3c2N(CC(=O)NCc2ccc(F)cc2)C(=O)N2CCN=C32)cc1 ZINC000019213433 556711071 /nfs/dbraw/zinc/71/10/71/556711071.db2.gz JEJZIPDLRUIISS-UHFFFAOYSA-N 0 0 432.459 2.638 40 0 IFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 ZINC000019215191 556711577 /nfs/dbraw/zinc/71/15/77/556711577.db2.gz OOAHLDAIMMQEQD-INIZCTEOSA-N 0 0 427.486 2.577 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3c(C)[nH]c4cc(C)ccc43)CC2)cc1 ZINC000019219628 556714001 /nfs/dbraw/zinc/71/40/01/556714001.db2.gz SIJVYBGPTRNJKN-QFIPXVFZSA-N 0 0 443.569 2.833 40 0 IFABRN CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)Cc3coc4c3ccc(C)c4C)nc2C1 ZINC000019221717 556715748 /nfs/dbraw/zinc/71/57/48/556715748.db2.gz ZBIXUPKUXQSEGQ-OAQYLSRUSA-N 0 0 448.523 2.944 40 0 IFABRN Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)Cn4ccnc4)CCO3)cc2)c1 ZINC000019235366 556719630 /nfs/dbraw/zinc/71/96/30/556719630.db2.gz BNXHZDQVHBRCBS-SANMLTNESA-N 0 0 446.551 2.787 40 0 IFABRN Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 ZINC000019236036 556720505 /nfs/dbraw/zinc/72/05/05/556720505.db2.gz RWKVAHUBDYJZPQ-UHFFFAOYSA-N 0 0 435.528 2.786 40 0 IFABRN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(C(=O)COc2c(C)cccc2C)C3)c(OC)n1 ZINC000019236025 556720560 /nfs/dbraw/zinc/72/05/60/556720560.db2.gz XRCFRGSBFSPYFV-QLCVBSLISA-N 0 0 441.528 2.636 40 0 IFABRN Cc1cn(CC(=O)N2CC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)NC(C)C)C2)nn1 ZINC000019238739 556724060 /nfs/dbraw/zinc/72/40/60/556724060.db2.gz BTLLHDFXJCXXHA-RUZDIDTESA-N 0 0 446.555 2.635 40 0 IFABRN Cc1nc(C)n(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)n1 ZINC000019285776 556727451 /nfs/dbraw/zinc/72/74/51/556727451.db2.gz NLILSVCCRZMFHT-HXUWFJFHSA-N 0 0 432.532 2.641 40 0 IFABRN Cc1nc2c(c(N3CCN(C(=O)c4cccnc4)CC3)n1)CN(Cc1ccccc1)CC2 ZINC000019286213 556727768 /nfs/dbraw/zinc/72/77/68/556727768.db2.gz VINOELRATDSTDJ-UHFFFAOYSA-N 0 0 428.540 2.701 40 0 IFABRN CSCC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 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0 0 434.558 2.997 40 0 IFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000225807610 557779381 /nfs/dbraw/zinc/77/93/81/557779381.db2.gz NASJOLSVUQXHSZ-UHFFFAOYSA-N 0 0 445.541 2.644 40 0 IFABRN CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)c(OC)c1 ZINC000225834152 557783184 /nfs/dbraw/zinc/78/31/84/557783184.db2.gz IMFZZNRGFLXVBW-GFCCVEGCSA-N 0 0 428.536 2.579 40 0 IFABRN CCOCCCNC(=O)CCc1nc(-c2ccc(I)cc2)no1 ZINC000225839933 557784046 /nfs/dbraw/zinc/78/40/46/557784046.db2.gz MZXQKRASDXSAOQ-UHFFFAOYSA-N 0 0 429.258 2.817 40 0 IFABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000225885633 557788673 /nfs/dbraw/zinc/78/86/73/557788673.db2.gz PPYQOXMHULUURP-GOSISDBHSA-N 0 0 448.932 2.981 40 0 IFABRN COCCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@@H](C)C2)n1 ZINC000225901363 557789402 /nfs/dbraw/zinc/78/94/02/557789402.db2.gz DPMBOOFDQAHJMF-CQSZACIVSA-N 0 0 433.607 2.977 40 0 IFABRN COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)c1 ZINC000031066106 557790137 /nfs/dbraw/zinc/79/01/37/557790137.db2.gz ORBSFERZXMIOHO-INIZCTEOSA-N 0 0 426.469 2.855 40 0 IFABRN CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000031066157 557790164 /nfs/dbraw/zinc/79/01/64/557790164.db2.gz DMMRJFHGCOHHKO-MRXNPFEDSA-N 0 0 426.469 2.801 40 0 IFABRN COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2cccnc2)n1 ZINC000225939175 557794952 /nfs/dbraw/zinc/79/49/52/557794952.db2.gz VSJHEEIOPZXDEX-UHFFFAOYSA-N 0 0 435.557 2.693 40 0 IFABRN S=C(NCc1cccnc1)Nc1nc(N2CCOCC2)cc(N2CCCCCC2)n1 ZINC000225940177 557795111 /nfs/dbraw/zinc/79/51/11/557795111.db2.gz UWBZGFNYHWGHJM-UHFFFAOYSA-N 0 0 427.578 2.575 40 0 IFABRN COc1ccc(CCNC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1OC ZINC000225950201 557796095 /nfs/dbraw/zinc/79/60/95/557796095.db2.gz YSYYDECPLZICOQ-QGZVFWFLSA-N 0 0 440.949 2.697 40 0 IFABRN CCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccccc3)S2(=O)=O)cc1 ZINC000225951047 557796331 /nfs/dbraw/zinc/79/63/31/557796331.db2.gz GRCHOAKDLSSPQZ-JOCHJYFZSA-N 0 0 446.525 2.956 40 0 IFABRN COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)CC1 ZINC000225974335 557798291 /nfs/dbraw/zinc/79/82/91/557798291.db2.gz UVLQPOFZXWGNTH-UHFFFAOYSA-N 0 0 437.949 2.707 40 0 IFABRN COc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 ZINC000226014167 557801410 /nfs/dbraw/zinc/80/14/10/557801410.db2.gz WWJPCJMNZFMVKM-UHFFFAOYSA-N 0 0 442.526 2.684 40 0 IFABRN COc1cccc(OC)c1CNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000226035716 557801845 /nfs/dbraw/zinc/80/18/45/557801845.db2.gz KWYKFQBEAYGHRR-UHFFFAOYSA-N 0 0 447.340 2.948 40 0 IFABRN CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000226035513 557801943 /nfs/dbraw/zinc/80/19/43/557801943.db2.gz HMVADJFHMPRYND-UHFFFAOYSA-N 0 0 446.525 2.549 40 0 IFABRN CCOC(=O)C1(c2ccc(NC(=O)CN(CCc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000226040140 557802073 /nfs/dbraw/zinc/80/20/73/557802073.db2.gz BNCROMBJQITHHU-UHFFFAOYSA-N 0 0 444.553 2.724 40 0 IFABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCc2cc(Br)ccc21 ZINC000226039711 557802121 /nfs/dbraw/zinc/80/21/21/557802121.db2.gz UJHRLMYNEFFDHF-UHFFFAOYSA-N 0 0 437.359 2.843 40 0 IFABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)ccc1OC ZINC000226044809 557802308 /nfs/dbraw/zinc/80/23/08/557802308.db2.gz DXANCCAXJURLSH-UHFFFAOYSA-N 0 0 444.513 2.953 40 0 IFABRN CCOC(=O)Cc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000226046859 557802506 /nfs/dbraw/zinc/80/25/06/557802506.db2.gz HRGKNWMGFNULGN-UHFFFAOYSA-N 0 0 448.541 2.840 40 0 IFABRN C[C@@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000032940000 557806994 /nfs/dbraw/zinc/80/69/94/557806994.db2.gz KRNGJMMSVZBNAO-IOASZLSFSA-N 0 0 425.323 2.806 40 0 IFABRN CCCCn1nnc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)n1 ZINC000033858911 557809969 /nfs/dbraw/zinc/80/99/69/557809969.db2.gz LKAZBRDYYRGYAY-UHFFFAOYSA-N 0 0 427.328 2.680 40 0 IFABRN COc1ccc(F)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000096099597 557837992 /nfs/dbraw/zinc/83/79/92/557837992.db2.gz ZWLDBYMBWNRDLB-BYICEURKSA-N 0 0 439.530 2.992 40 0 IFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1nnc(SC(C)C)s1)O2 ZINC000260741003 557852809 /nfs/dbraw/zinc/85/28/09/557852809.db2.gz CKWBDZIKSCTQQH-CYBMUJFWSA-N 0 0 428.561 2.513 40 0 IFABRN Cc1ccc(CN(CC(=O)NCCCN2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 ZINC000260764771 557854004 /nfs/dbraw/zinc/85/40/04/557854004.db2.gz MGCGTTFFBRGAIF-LJQANCHMSA-N 0 0 429.586 2.714 40 0 IFABRN COc1ccc(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000260769973 557854296 /nfs/dbraw/zinc/85/42/96/557854296.db2.gz UFZNBOYHXSCUSX-MRXNPFEDSA-N 0 0 434.558 2.996 40 0 IFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2c3ccccc3C[C@H]2C)cc1 ZINC000260773018 557855186 /nfs/dbraw/zinc/85/51/86/557855186.db2.gz YOWJFRCNIFNRMS-QGZVFWFLSA-N 0 0 447.626 2.987 40 0 IFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN(C)c1ccccc1 ZINC000260815440 557857470 /nfs/dbraw/zinc/85/74/70/557857470.db2.gz XSOPBXUKJJCVTK-NRFANRHFSA-N 0 0 433.574 2.883 40 0 IFABRN CCS(=O)(=O)N1C[C@H](C(=O)n2cc(C(=O)OC)c3ccccc32)Oc2ccccc21 ZINC000260828879 557858715 /nfs/dbraw/zinc/85/87/15/557858715.db2.gz DVCJCTPXLCSAPY-LJQANCHMSA-N 0 0 428.466 2.685 40 0 IFABRN O=C(Nc1ccc(OC2CSC2)cc1)[C@]12C[C@H]1CN(Cc1ccccc1)S2(=O)=O ZINC000260830844 557859310 /nfs/dbraw/zinc/85/93/10/557859310.db2.gz IKUDWQTTXMQQFJ-KKSFZXQISA-N 0 0 430.551 2.724 40 0 IFABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000260834484 557859755 /nfs/dbraw/zinc/85/97/55/557859755.db2.gz MNPUEVPZOIVUPI-HOCLYGCPSA-N 0 0 436.555 2.797 40 0 IFABRN CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccccc2Cl)Oc2ccc(Cl)cc21 ZINC000260844190 557861583 /nfs/dbraw/zinc/86/15/83/557861583.db2.gz GLTGOHSKWZWJML-QGZVFWFLSA-N 0 0 445.324 2.716 40 0 IFABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1OC ZINC000260845685 557861792 /nfs/dbraw/zinc/86/17/92/557861792.db2.gz VWAVLGLBJXYPBL-CABCVRRESA-N 0 0 436.530 2.744 40 0 IFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1c2ccccc2C[C@H]1C ZINC000260845664 557861830 /nfs/dbraw/zinc/86/18/30/557861830.db2.gz VREOPXDOHITAJZ-QZTJIDSGSA-N 0 0 445.585 2.807 40 0 IFABRN CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc2ccccc21 ZINC000260888546 557862854 /nfs/dbraw/zinc/86/28/54/557862854.db2.gz BHRVSWINUGADLH-KRWDZBQOSA-N 0 0 426.494 2.562 40 0 IFABRN CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@@H](O)[C@@H]1O ZINC000253389943 560039221 /nfs/dbraw/zinc/03/92/21/560039221.db2.gz VMCFTVWDHVWSOB-PJTJILFVSA-N 0 0 433.589 2.782 40 0 biogenic,in-vitro IFABRN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000002049068 560186488 /nfs/dbraw/zinc/18/64/88/560186488.db2.gz MVXNAJNGLVQNKU-NVVBAYIOSA-N 0 0 446.569 2.957 40 0 biogenic,in-vitro IFABRN COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@H]23)cc1 ZINC000006131188 560205420 /nfs/dbraw/zinc/20/54/20/560205420.db2.gz UYMSJJJPWNBPCY-WJFTUGDTSA-N 0 0 435.546 2.575 40 0 biogenic,in-vitro IFABRN COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)c(OC)c1OC ZINC000015674646 560231110 /nfs/dbraw/zinc/23/11/10/560231110.db2.gz CIULTUYXPCOHIS-MSOLQXFVSA-N 0 0 425.485 2.994 40 0 biogenic,in-vitro IFABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 ZINC000260897538 568627792 /nfs/dbraw/zinc/62/77/92/568627792.db2.gz MWHIYFDFDRCVHQ-CYBMUJFWSA-N 0 0 449.554 2.792 40 0 IFABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000260895132 568628322 /nfs/dbraw/zinc/62/83/22/568628322.db2.gz IPESBJSXDFKTAL-GOSISDBHSA-N 0 0 431.558 2.933 40 0 IFABRN COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O ZINC000260912206 568629364 /nfs/dbraw/zinc/62/93/64/568629364.db2.gz AOALARMCMQBSFH-GOSISDBHSA-N 0 0 434.558 2.970 40 0 IFABRN COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 ZINC000260919933 568629646 /nfs/dbraw/zinc/62/96/46/568629646.db2.gz DYCVNAMUAFNMCI-OAHLLOKOSA-N 0 0 432.542 2.836 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 ZINC000138888228 568634749 /nfs/dbraw/zinc/63/47/49/568634749.db2.gz WDGYMSTXPIZBOY-SFHVURJKSA-N 0 0 438.480 2.961 40 0 IFABRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=c2\sc3ncnn3c2=O)c1 ZINC000256055537 568663656 /nfs/dbraw/zinc/66/36/56/568663656.db2.gz KDDOWFFELYOFOC-MFOYZWKCSA-N 0 0 426.885 2.678 40 0 IFABRN Cc1nc([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000257201541 568665765 /nfs/dbraw/zinc/66/57/65/568665765.db2.gz AIARMVPMQCPRDS-MRXNPFEDSA-N 0 0 434.475 2.756 40 0 IFABRN COCCN1C(=O)Cc2c1nc([C@]1(C)CCCN(C(=O)c3ccccc3F)C1)nc2C ZINC000257202503 568666412 /nfs/dbraw/zinc/66/64/12/568666412.db2.gz AMDLLPFOGQIQNE-HSZRJFAPSA-N 0 0 426.492 2.654 40 0 IFABRN Cc1nc2cc([C@@H]3CCN(C(=O)C(C)C)C3)nn2c(C)c1CCC(=O)NCc1ccncc1 ZINC000257202728 568666532 /nfs/dbraw/zinc/66/65/32/568666532.db2.gz ANBUHRIFENKXLX-HXUWFJFHSA-N 0 0 448.571 2.962 40 0 IFABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)Cc2c(C)noc2C)CC1 ZINC000257203486 568666842 /nfs/dbraw/zinc/66/68/42/568666842.db2.gz AQHJIPJNGWHBMN-CQOQZXRMSA-N 0 0 427.545 2.670 40 0 IFABRN 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ZINC000585168999 569583856 /nfs/dbraw/zinc/58/38/56/569583856.db2.gz ISPNVEPOPZPSAE-HSZRJFAPSA-N 0 0 443.551 3.491 40 0 IFABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(Cc2cnc(Nc3ccccn3)cn2)CC1 ZINC000585292484 569584931 /nfs/dbraw/zinc/58/49/31/569584931.db2.gz NJOPHCSSRHMKDD-BQYQJAHWSA-N 0 0 431.544 3.460 40 0 IFABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H](c2nccnc2Nc2nc(C)cc(C)n2)C1 ZINC000585292050 569584940 /nfs/dbraw/zinc/58/49/40/569584940.db2.gz JIWMEEZNRAZAJW-CSHXORCISA-N 0 0 446.559 3.397 40 0 IFABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H](c2nccnc2Nc2nc(C)cc(C)n2)C1 ZINC000585292052 569584976 /nfs/dbraw/zinc/58/49/76/569584976.db2.gz JIWMEEZNRAZAJW-SGQUHAKNSA-N 0 0 446.559 3.397 40 0 IFABRN COc1ccc(-c2cc(N3CCC[C@@H](C(=O)NCCn4nc(C)cc4C)C3)ncn2)cc1 ZINC000077191932 569585982 /nfs/dbraw/zinc/58/59/82/569585982.db2.gz NMMQWZBCYBCLQS-HXUWFJFHSA-N 0 0 434.544 2.998 40 0 IFABRN C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C1)C2 ZINC000005440964 291339823 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CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2)CN(C)C(=O)C1 ZINC000096113315 291343596 /nfs/dbraw/zinc/34/35/96/291343596.db2.gz HWPHGUPADXMQET-TZIWHRDSSA-N 0 0 440.519 2.626 40 0 biogenic,in-vitro IFABRN Cc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccc(F)c3)n2)cc1 ZINC000005440244 291348488 /nfs/dbraw/zinc/34/84/88/291348488.db2.gz SCHKMNJLGKOCJM-FNAHDJPLSA-N 0 0 434.471 2.968 40 0 biogenic,in-vitro IFABRN Cc1ccc(C(=O)N2CCN3[C@@H](C2)CN(S(=O)(=O)c2ccccc2)CC3(C)C)cc1 ZINC000253399091 291348514 /nfs/dbraw/zinc/34/85/14/291348514.db2.gz IKIWYXXSKRRPML-FQEVSTJZSA-N 0 0 427.570 2.605 40 0 biogenic,in-vitro IFABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1)c1ccncc1 ZINC000004236206 291351008 /nfs/dbraw/zinc/35/10/08/291351008.db2.gz BSMPGNLWFODRAI-FUHWJXTLSA-N 0 0 435.528 2.957 40 0 biogenic,in-vitro IFABRN O=C1[C@@H]2C[C@@H](CN2S(=O)(=O)c2ccccc2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111688 291351583 /nfs/dbraw/zinc/35/15/83/291351583.db2.gz ZPNDGEIBUFXQGN-RXVVDRJESA-N 0 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CC[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)Cc1ccccc1 ZINC000096251305 193944095 /nfs/dbraw/zinc/94/40/95/193944095.db2.gz OMMPLCGFEOIBSL-HXUWFJFHSA-N 0 0 443.613 2.930 40 0 IFABRN O=C(NCCc1ccccn1)[C@@H]1C[C@]2(CO1)CN(C(=O)c1cccnc1)c1ccccc12 ZINC000096262947 193946658 /nfs/dbraw/zinc/94/66/58/193946658.db2.gz ZYUZCFGQFASXBP-WIOPSUGQSA-N 0 0 428.492 2.523 40 0 IFABRN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000223316919 193965995 /nfs/dbraw/zinc/96/59/95/193965995.db2.gz LIFOHIXOYAABNJ-UHFFFAOYSA-N 0 0 430.223 2.835 40 0 IFABRN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000010010152 132333980 /nfs/dbraw/zinc/33/39/80/132333980.db2.gz OJPHROHXVTYSEA-UHFFFAOYSA-N 0 0 445.610 2.912 40 0 IFABRN COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)CC1 ZINC000010113795 132334849 /nfs/dbraw/zinc/33/48/49/132334849.db2.gz IUDRIDNRIUZOHH-IBGZPJMESA-N 0 0 445.585 2.815 40 0 IFABRN Cc1nnc2c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc3ccccc3n12 ZINC000010231818 132335109 /nfs/dbraw/zinc/33/51/09/132335109.db2.gz MOOBLAKIPXIZHC-UHFFFAOYSA-N 0 0 442.932 2.750 40 0 IFABRN CN(C)c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1 ZINC000013119437 132345220 /nfs/dbraw/zinc/34/52/20/132345220.db2.gz XVVNLABMEHTETQ-UHFFFAOYSA-N 0 0 443.360 2.812 40 0 IFABRN CC(=O)N1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)CC1 ZINC000013563006 132349873 /nfs/dbraw/zinc/34/98/73/132349873.db2.gz PVMLVGOWHMRQRQ-UHFFFAOYSA-N 0 0 434.496 2.580 40 0 IFABRN CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cc(=O)c3cc(C)ccc3o1)CC2 ZINC000013566301 132350375 /nfs/dbraw/zinc/35/03/75/132350375.db2.gz RJJGHJCLSFGXEQ-UHFFFAOYSA-N 0 0 432.480 2.699 40 0 IFABRN CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccc2ccccc2c1 ZINC000035056626 519701370 /nfs/dbraw/zinc/70/13/70/519701370.db2.gz XCMZMJFBJIDKSB-RMVFICBOSA-N 0 0 435.476 2.923 40 0 IFABRN CC(=O)N[C@H]1[C@@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@H]1O ZINC000035271147 519701485 /nfs/dbraw/zinc/70/14/85/519701485.db2.gz FKJUUKVGJGPQSF-PQQZDNAISA-N 0 0 431.485 2.661 40 0 IFABRN CCCOc1ccc(N(CC(=O)Nc2cccc(C(=O)OC)c2C)S(C)(=O)=O)cc1 ZINC000022392079 520384198 /nfs/dbraw/zinc/38/41/98/520384198.db2.gz PEETXEKDMHOGSH-UHFFFAOYSA-N 0 0 434.514 2.975 40 0 IFABRN CCOC(=O)CNCc1c(C(=O)OCC)c2cc(OC)c(Br)cc2n1C ZINC000036015014 520788963 /nfs/dbraw/zinc/78/89/63/520788963.db2.gz ZJCZTNAOMNREAD-UHFFFAOYSA-N 0 0 427.295 2.779 40 0 IFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)Cc2cc(OC)ccc2OC)cc1 ZINC000022227452 520794328 /nfs/dbraw/zinc/79/43/28/520794328.db2.gz WBKGJENGFBYQKX-UHFFFAOYSA-N 0 0 434.558 2.636 40 0 IFABRN CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)n2ncnc2N1CC(=O)c1ccccc1 ZINC000020674205 520794706 /nfs/dbraw/zinc/79/47/06/520794706.db2.gz DDHONGXXZAWLRP-HSZRJFAPSA-N 0 0 443.507 2.703 40 0 IFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 ZINC000020802413 521091670 /nfs/dbraw/zinc/09/16/70/521091670.db2.gz FKYYWPSGGRGHAL-PMACEKPBSA-N 0 0 439.468 2.512 40 0 IFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1C ZINC000022247334 521208365 /nfs/dbraw/zinc/20/83/65/521208365.db2.gz XMVXKTUZOACGIR-TZIWHRDSSA-N 0 0 446.569 2.579 40 0 IFABRN CCOc1cccc(N(CC(=O)NCCCc2ccccc2OCC)S(C)(=O)=O)c1 ZINC000022394574 521382304 /nfs/dbraw/zinc/38/23/04/521382304.db2.gz CNVIOTSHJXXTJK-UHFFFAOYSA-N 0 0 434.558 2.999 40 0 IFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccccc1OC)S(C)(=O)=O ZINC000022252380 521478999 /nfs/dbraw/zinc/47/89/99/521478999.db2.gz AIWFMDWRDXYHOI-AWEZNQCLSA-N 0 0 436.530 2.989 40 0 IFABRN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609216 521481240 /nfs/dbraw/zinc/48/12/40/521481240.db2.gz XEFHSALGGVOLTM-LJQANCHMSA-N 0 0 438.480 2.571 40 0 IFABRN CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccccn3)[C@H](O)[C@H]2[C@@H]1C ZINC000020467318 521742901 /nfs/dbraw/zinc/74/29/01/521742901.db2.gz CZXIJGOTENLNMC-WLULSOSOSA-N 0 0 430.593 2.845 40 0 biogenic,in-vitro IFABRN CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 ZINC000015582475 521797579 /nfs/dbraw/zinc/79/75/79/521797579.db2.gz PUOFQJMNCHRYTF-NSHDSACASA-N 0 0 430.552 2.829 40 0 IFABRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000252394280 521966984 /nfs/dbraw/zinc/96/69/84/521966984.db2.gz DNMISKGVNCVSCQ-DQLDELGASA-N 0 0 442.512 2.934 40 0 IFABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(S(C)(=O)=O)cc3)n2)cn1 ZINC000035426316 522128950 /nfs/dbraw/zinc/12/89/50/522128950.db2.gz ZOTVQELPHNGAMQ-SFHVURJKSA-N 0 0 427.530 2.938 40 0 biogenic,in-vitro IFABRN COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035291451 522155454 /nfs/dbraw/zinc/15/54/54/522155454.db2.gz YJQJCLLIRPFVKU-NRFANRHFSA-N 0 0 442.951 2.893 40 0 IFABRN COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035291449 522157373 /nfs/dbraw/zinc/15/73/73/522157373.db2.gz YJQJCLLIRPFVKU-OAQYLSRUSA-N 0 0 442.951 2.893 40 0 IFABRN COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c1 ZINC000022535114 522221780 /nfs/dbraw/zinc/22/17/80/522221780.db2.gz CHDYCOOOXXJBLD-UHFFFAOYSA-N 0 0 430.526 2.962 40 0 IFABRN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000022393206 522507141 /nfs/dbraw/zinc/50/71/41/522507141.db2.gz FLPWYUXCOAISAK-UHFFFAOYSA-N 0 0 439.537 2.936 40 0 IFABRN COc1cc2c(cc1OC)[C@H](c1cc3cccc(C)c3[nH]c1=O)N(S(C)(=O)=O)CC2 ZINC000035313449 523048416 /nfs/dbraw/zinc/04/84/16/523048416.db2.gz YYKHYJNYQZLBFP-OAQYLSRUSA-N 0 0 428.510 2.761 40 0 IFABRN COc1ccc(-c2cc3nc(CCNC(=O)c4cc5ccccc5c(=O)[nH]4)nn3cn2)cc1 ZINC000012234742 523124449 /nfs/dbraw/zinc/12/44/49/523124449.db2.gz FUDAVEAYVDDSHJ-UHFFFAOYSA-N 0 0 440.463 2.614 40 0 IFABRN COc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)Cc4ccccc4)CN3C)n2)cc1 ZINC000012529938 523300488 /nfs/dbraw/zinc/30/04/88/523300488.db2.gz PIQLOXMGIKMVMG-HKUYNNGSSA-N 0 0 428.514 2.610 40 0 biogenic,in-vitro IFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H]1Cn1nnc(-c2ccncc2)n1 ZINC000012142289 523794291 /nfs/dbraw/zinc/79/42/91/523794291.db2.gz RSABHVWLKVIPIM-GOSISDBHSA-N 0 0 442.545 2.720 40 0 IFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 ZINC000012142290 523795073 /nfs/dbraw/zinc/79/50/73/523795073.db2.gz RSABHVWLKVIPIM-SFHVURJKSA-N 0 0 442.545 2.720 40 0 IFABRN COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 ZINC000012378039 523811269 /nfs/dbraw/zinc/81/12/69/523811269.db2.gz CVQRHMLKWFJPEG-ZOPQSODPSA-N 0 0 448.544 2.982 40 0 IFABRN COc1ccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OC ZINC000022328355 523935601 /nfs/dbraw/zinc/93/56/01/523935601.db2.gz IRYVHPCBNCFSIJ-UHFFFAOYSA-N 0 0 434.558 2.836 40 0 IFABRN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 ZINC000016161986 524002927 /nfs/dbraw/zinc/00/29/27/524002927.db2.gz DIGJPRZXILEOKC-UHFFFAOYSA-N 0 0 430.555 2.974 40 0 IFABRN COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000020453529 524062008 /nfs/dbraw/zinc/06/20/08/524062008.db2.gz TZTNZWGNURYFAQ-CYBMUJFWSA-N 0 0 426.922 2.828 40 0 IFABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1OC ZINC000015582969 524064188 /nfs/dbraw/zinc/06/41/88/524064188.db2.gz RKBLVQWUMYJNJS-INIZCTEOSA-N 0 0 436.505 2.560 40 0 IFABRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O ZINC000020456849 524214681 /nfs/dbraw/zinc/21/46/81/524214681.db2.gz JWXYXKCYZZQTHD-UHFFFAOYSA-N 0 0 448.932 2.617 40 0 IFABRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O ZINC000020460333 524214753 /nfs/dbraw/zinc/21/47/53/524214753.db2.gz NMELDJFBDPEBNY-UHFFFAOYSA-N 0 0 448.932 2.617 40 0 IFABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 ZINC000022610338 524239073 /nfs/dbraw/zinc/23/90/73/524239073.db2.gz MYGGRQNRLNPROZ-CYBMUJFWSA-N 0 0 445.907 2.733 40 0 IFABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000022536993 524333360 /nfs/dbraw/zinc/33/33/60/524333360.db2.gz PPDOQWZQABQHAH-IBGZPJMESA-N 0 0 446.569 2.889 40 0 IFABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 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Cc1c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000222580626 557355758 /nfs/dbraw/zinc/35/57/58/557355758.db2.gz IIHRKMZARZJVJN-UHFFFAOYSA-N 0 0 440.525 2.667 40 0 IFABRN COc1cccc(CCCNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 ZINC000222594625 557358210 /nfs/dbraw/zinc/35/82/10/557358210.db2.gz RJHHQQDKBHOKPN-UHFFFAOYSA-N 0 0 434.558 2.999 40 0 IFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1OC ZINC000222597800 557358847 /nfs/dbraw/zinc/35/88/47/557358847.db2.gz CFDJJFDDEMLGCH-HXUWFJFHSA-N 0 0 434.558 2.997 40 0 IFABRN CCOc1ccccc1N(CCCC(=O)NCCc1ccc(OC)cc1)S(C)(=O)=O ZINC000222610062 557361248 /nfs/dbraw/zinc/36/12/48/557361248.db2.gz UCJOXYZXJPJGFP-UHFFFAOYSA-N 0 0 434.558 2.999 40 0 IFABRN CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000222620798 557363192 /nfs/dbraw/zinc/36/31/92/557363192.db2.gz WJKOXUNEYXVNFN-UHFFFAOYSA-N 0 0 429.542 2.617 40 0 IFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222624179 557363975 /nfs/dbraw/zinc/36/39/75/557363975.db2.gz FXFVPQXWCDMOGY-KRWDZBQOSA-N 0 0 449.548 2.535 40 0 IFABRN COC(=O)c1cn(C(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c2ccccc12 ZINC000222647001 557368079 /nfs/dbraw/zinc/36/80/79/557368079.db2.gz QPKCHRDPCOUBDQ-UHFFFAOYSA-N 0 0 444.509 2.960 40 0 IFABRN COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000222647620 557368252 /nfs/dbraw/zinc/36/82/52/557368252.db2.gz XIDUQAIJJQKRHK-UHFFFAOYSA-N 0 0 448.541 2.620 40 0 IFABRN COc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000222658702 557369687 /nfs/dbraw/zinc/36/96/87/557369687.db2.gz APBHQOAJXVMINK-MRXNPFEDSA-N 0 0 438.521 2.964 40 0 IFABRN C[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222678257 557372840 /nfs/dbraw/zinc/37/28/40/557372840.db2.gz IZEINMLCTLUSQS-LBPRGKRZSA-N 0 0 442.896 2.894 40 0 IFABRN CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000222703783 557376722 /nfs/dbraw/zinc/37/67/22/557376722.db2.gz YJWRFOLAYPPXRU-INIZCTEOSA-N 0 0 448.541 2.890 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000222705873 557376906 /nfs/dbraw/zinc/37/69/06/557376906.db2.gz DQZLZYDQLDWFFT-UHFFFAOYSA-N 0 0 432.498 2.780 40 0 IFABRN COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000113870659 557377621 /nfs/dbraw/zinc/37/76/21/557377621.db2.gz GGAMRMZMAZKOTD-UHFFFAOYSA-N 0 0 441.303 2.776 40 0 IFABRN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000113872949 557377629 /nfs/dbraw/zinc/37/76/29/557377629.db2.gz NAERPDPDHLTXJH-UHFFFAOYSA-N 0 0 426.878 2.675 40 0 IFABRN COc1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000113941016 557380000 /nfs/dbraw/zinc/38/00/00/557380000.db2.gz YXYOGBASPKWTRE-CYBMUJFWSA-N 0 0 426.922 2.828 40 0 IFABRN COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000222728964 557380125 /nfs/dbraw/zinc/38/01/25/557380125.db2.gz HGIZCBOKQCPRFX-INIZCTEOSA-N 0 0 448.541 2.890 40 0 IFABRN CCOc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000113944920 557380486 /nfs/dbraw/zinc/38/04/86/557380486.db2.gz FNCRTSZZBFMYBF-SFHVURJKSA-N 0 0 432.542 2.811 40 0 IFABRN CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CCOc4ccccc43)cc2)CC1 ZINC000222753461 557383362 /nfs/dbraw/zinc/38/33/62/557383362.db2.gz TWNZKKWJBPMPKO-UHFFFAOYSA-N 0 0 430.526 2.912 40 0 IFABRN CCOc1cc(CNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)ccc1OC ZINC000222789840 557387110 /nfs/dbraw/zinc/38/71/10/557387110.db2.gz XXVUAEKHDHCKAY-CYBMUJFWSA-N 0 0 442.484 2.843 40 0 IFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)OCC)cc2)c(C)c1 ZINC000222791203 557387402 /nfs/dbraw/zinc/38/74/02/557387402.db2.gz ZGIJKRIQVNKPEI-UHFFFAOYSA-N 0 0 448.541 2.806 40 0 IFABRN Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1C ZINC000222795525 557387626 /nfs/dbraw/zinc/38/76/26/557387626.db2.gz YVCGGZAVXLIKTQ-UHFFFAOYSA-N 0 0 432.542 2.675 40 0 IFABRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)CC1 ZINC000222804527 557388332 /nfs/dbraw/zinc/38/83/32/557388332.db2.gz QDXORVQFBLYLLM-UHFFFAOYSA-N 0 0 437.565 2.847 40 0 IFABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCCO)cc1OC ZINC000222806457 557388693 /nfs/dbraw/zinc/38/86/93/557388693.db2.gz BVDZTYZGZHCDGX-INIZCTEOSA-N 0 0 448.947 2.816 40 0 IFABRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1C ZINC000222837397 557392132 /nfs/dbraw/zinc/39/21/32/557392132.db2.gz JDJMNAQUFODPOV-UHFFFAOYSA-N 0 0 446.481 2.635 40 0 IFABRN C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840884 557392310 /nfs/dbraw/zinc/39/23/10/557392310.db2.gz TVCZDZGTGUAOJY-IBGZPJMESA-N 0 0 443.975 2.748 40 0 IFABRN COc1ccc(C(=O)NCc2c(OC)cccc2OC)cc1S(=O)(=O)N1CCCCC1 ZINC000222915290 557402028 /nfs/dbraw/zinc/40/20/28/557402028.db2.gz GKVGNMWVMGSGCU-UHFFFAOYSA-N 0 0 448.541 2.817 40 0 IFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222934514 557405025 /nfs/dbraw/zinc/40/50/25/557405025.db2.gz XNSQEMLORNZKPV-FQEVSTJZSA-N 0 0 445.585 2.623 40 0 IFABRN O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)N[C@H](CO)Cc1ccccc1 ZINC000033582578 557413844 /nfs/dbraw/zinc/41/38/44/557413844.db2.gz SBXWHQUQXVVNPN-NFBGKYEXSA-N 0 0 428.485 2.972 40 0 IFABRN CCOc1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000223017151 557415892 /nfs/dbraw/zinc/41/58/92/557415892.db2.gz JDJCARYEGLSEIF-UHFFFAOYSA-N 0 0 448.541 2.686 40 0 IFABRN CCCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000223037354 557419122 /nfs/dbraw/zinc/41/91/22/557419122.db2.gz FFXGZNWGOFOSTL-UHFFFAOYSA-N 0 0 434.558 2.854 40 0 IFABRN C[C@H]1Cc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000025767334 557419502 /nfs/dbraw/zinc/41/95/02/557419502.db2.gz PUOADDQVKODOFU-AIADIJKESA-N 0 0 439.581 2.868 40 0 IFABRN C[C@@H]1Cc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000025767331 557419521 /nfs/dbraw/zinc/41/95/21/557419521.db2.gz PUOADDQVKODOFU-MBNRZODZSA-N 0 0 439.581 2.868 40 0 IFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223049008 557421157 /nfs/dbraw/zinc/42/11/57/557421157.db2.gz RMFKNNDLMJWZDL-NRFANRHFSA-N 0 0 435.524 2.925 40 0 IFABRN COc1ccc(-c2nnc(NC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000223050445 557421540 /nfs/dbraw/zinc/42/15/40/557421540.db2.gz HPTSKKPCDXVKBP-UHFFFAOYSA-N 0 0 432.527 2.781 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1 ZINC000223056171 557422622 /nfs/dbraw/zinc/42/26/22/557422622.db2.gz ZAPMPBQFSXUDHC-UHFFFAOYSA-N 0 0 432.498 2.630 40 0 IFABRN CCN1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014135496 557422774 /nfs/dbraw/zinc/42/27/74/557422774.db2.gz MRFCBZMDTGOIHL-UHFFFAOYSA-N 0 0 435.977 2.695 40 0 IFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1OC ZINC000223058444 557422937 /nfs/dbraw/zinc/42/29/37/557422937.db2.gz HSTGDKRLKSXJHD-OAHLLOKOSA-N 0 0 448.541 2.709 40 0 IFABRN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21 ZINC000223065923 557424801 /nfs/dbraw/zinc/42/48/01/557424801.db2.gz KGFPHAPMRYKKFM-WEVVVXLNSA-N 0 0 439.581 2.870 40 0 IFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000223071736 557426060 /nfs/dbraw/zinc/42/60/60/557426060.db2.gz ZVHQOPFQRNFFDE-UHFFFAOYSA-N 0 0 431.514 2.761 40 0 IFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223074622 557426645 /nfs/dbraw/zinc/42/66/45/557426645.db2.gz VAJIHHSBDQZZGG-NRFANRHFSA-N 0 0 445.585 2.623 40 0 IFABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(OC)cc1 ZINC000223111303 557432971 /nfs/dbraw/zinc/43/29/71/557432971.db2.gz ZVEUUBUAGNYVRD-QGZVFWFLSA-N 0 0 432.498 2.787 40 0 IFABRN CCCN1c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2S(=O)(=O)N=C1C ZINC000223113531 557433243 /nfs/dbraw/zinc/43/32/43/557433243.db2.gz SZTMDMIZDSZUAQ-UHFFFAOYSA-N 0 0 426.542 2.986 40 0 IFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 ZINC000223113581 557433478 /nfs/dbraw/zinc/43/34/78/557433478.db2.gz OCFYFGZDJRHEFH-UHFFFAOYSA-N 0 0 444.582 2.840 40 0 IFABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CCN1CCOCC1 ZINC000223127074 557435462 /nfs/dbraw/zinc/43/54/62/557435462.db2.gz GDIBRPJGEYRSPR-FGZHOGPDSA-N 0 0 434.569 2.572 40 0 IFABRN Cc1ccc(-c2noc(CNC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)n2)cc1 ZINC000223125747 557435506 /nfs/dbraw/zinc/43/55/06/557435506.db2.gz IHWZDFLAGYTTKX-UHFFFAOYSA-N 0 0 448.932 2.776 40 0 IFABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)nc1 ZINC000223129827 557436129 /nfs/dbraw/zinc/43/61/29/557436129.db2.gz UWBMUORHGXIMDY-PKTZIBPZSA-N 0 0 448.596 2.880 40 0 IFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000014399784 557437031 /nfs/dbraw/zinc/43/70/31/557437031.db2.gz ZPWLLXYCZQBTOC-SFHVURJKSA-N 0 0 445.541 2.634 40 0 IFABRN CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1OC)c1ccc2c(c1)OCCO2 ZINC000014399954 557437044 /nfs/dbraw/zinc/43/70/44/557437044.db2.gz RYPFTSVFKYQJHH-UHFFFAOYSA-N 0 0 440.905 2.915 40 0 IFABRN Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 ZINC000223153185 557439466 /nfs/dbraw/zinc/43/94/66/557439466.db2.gz OBINZYBLDJTVCZ-DHIUTWEWSA-N 0 0 449.580 2.883 40 0 IFABRN COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 ZINC000223161501 557440302 /nfs/dbraw/zinc/44/03/02/557440302.db2.gz JZYGJOSWKBKJFB-IBGZPJMESA-N 0 0 448.541 2.888 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)COc1ccccc1 ZINC000223169556 557441034 /nfs/dbraw/zinc/44/10/34/557441034.db2.gz GQBNBPUQQYEYDP-SFHVURJKSA-N 0 0 446.569 2.996 40 0 IFABRN CCOc1ccccc1N(CC(=O)N1CCN(CC)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000014411399 557444575 /nfs/dbraw/zinc/44/45/75/557444575.db2.gz QOTUUFIFGDERAR-UHFFFAOYSA-N 0 0 445.585 2.753 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 ZINC000014607347 557447736 /nfs/dbraw/zinc/44/77/36/557447736.db2.gz YVKPTTBCGFLQAG-QGZVFWFLSA-N 0 0 435.440 2.652 40 0 IFABRN C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)CCC2 ZINC000223232394 557449044 /nfs/dbraw/zinc/44/90/44/557449044.db2.gz XNAVKLHKCSXIQP-GOSISDBHSA-N 0 0 441.597 2.744 40 0 IFABRN COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 ZINC000223271308 557454154 /nfs/dbraw/zinc/45/41/54/557454154.db2.gz AUEUCOYBTQSEDI-QGZVFWFLSA-N 0 0 449.573 2.811 40 0 IFABRN COc1ccccc1OC[C@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000223310283 557457702 /nfs/dbraw/zinc/45/77/02/557457702.db2.gz DFXPKSSLNAFLTA-HNNXBMFYSA-N 0 0 440.949 2.694 40 0 IFABRN COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(OCC(=O)N(C)C)cc3)ccc2s1 ZINC000223308132 557457704 /nfs/dbraw/zinc/45/77/04/557457704.db2.gz YGNATQPITWUGQY-UHFFFAOYSA-N 0 0 448.522 2.956 40 0 IFABRN CC(C)CSc1nnc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)s1 ZINC000223313427 557458237 /nfs/dbraw/zinc/45/82/37/557458237.db2.gz PTZZVCPBFNIXCZ-CQSZACIVSA-N 0 0 442.588 2.842 40 0 IFABRN CCCSc1nnc(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)s1 ZINC000223337403 557460247 /nfs/dbraw/zinc/46/02/47/557460247.db2.gz KQGZXWCMJPWVCN-LLVKDONJSA-N 0 0 430.577 2.842 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1OC ZINC000015318732 557461027 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432.542 2.836 40 0 IFABRN COc1ccccc1CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038848856 556623793 /nfs/dbraw/zinc/62/37/93/556623793.db2.gz GJVLANVOQSGXSC-FQEVSTJZSA-N 0 0 432.542 2.836 40 0 IFABRN COc1ccc(CCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000038848961 556624042 /nfs/dbraw/zinc/62/40/42/556624042.db2.gz AHFKNNBRIVGWGY-OAQYLSRUSA-N 0 0 446.569 2.879 40 0 IFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc3c(c1)OCO3)O2 ZINC000038849366 556624068 /nfs/dbraw/zinc/62/40/68/556624068.db2.gz HOGPFXGLNBUUPC-IBGZPJMESA-N 0 0 432.498 2.879 40 0 IFABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000038850516 556624490 /nfs/dbraw/zinc/62/44/90/556624490.db2.gz AEAAMBCMHJLBBE-UHFFFAOYSA-N 0 0 440.525 2.513 40 0 IFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000038855653 556625644 /nfs/dbraw/zinc/62/56/44/556625644.db2.gz WDFONURMDMOLRD-YWZLYKJASA-N 0 0 445.541 2.689 40 0 IFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc3c(c1)OCO3)O2 ZINC000038858814 556626116 /nfs/dbraw/zinc/62/61/16/556626116.db2.gz CXMVXTDFXDKQFS-FQEVSTJZSA-N 0 0 446.525 2.556 40 0 IFABRN C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(F)c2)CC(=O)N3)C1 ZINC000040388658 556636703 /nfs/dbraw/zinc/63/67/03/556636703.db2.gz CVIFACNZOVLYFR-WZRBSPASSA-N 0 0 431.443 2.595 40 0 IFABRN Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000040390695 556637671 /nfs/dbraw/zinc/63/76/71/556637671.db2.gz LNSSXFPWNHAHNJ-QGZVFWFLSA-N 0 0 429.480 2.706 40 0 IFABRN COCc1nn2c(nnc3c2ccn(NC(=O)c2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392249 556638112 /nfs/dbraw/zinc/63/81/12/556638112.db2.gz VGYNLTYEQASHPO-UHFFFAOYSA-N 0 0 444.426 2.776 40 0 IFABRN O=C(NCCc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399378 556642099 /nfs/dbraw/zinc/64/20/99/556642099.db2.gz WTGZRFDBCLHIFS-INIZCTEOSA-N 0 0 437.887 2.952 40 0 IFABRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc1 ZINC000040400025 556642902 /nfs/dbraw/zinc/64/29/02/556642902.db2.gz LOOVQMXVGOMHDN-OAHLLOKOSA-N 0 0 449.467 2.985 40 0 IFABRN COCCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017097389 556661735 /nfs/dbraw/zinc/66/17/35/556661735.db2.gz OFUIZLPMNUJLRG-UHFFFAOYSA-N 0 0 431.341 2.947 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000044845353 556669367 /nfs/dbraw/zinc/66/93/67/556669367.db2.gz SSIIVDQNGQWIFX-UHFFFAOYSA-N 0 0 434.514 2.678 40 0 IFABRN CC[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc(OC)cc1 ZINC000044849239 556670125 /nfs/dbraw/zinc/67/01/25/556670125.db2.gz MYDDBCPSRGRQGV-IBGZPJMESA-N 0 0 448.541 2.890 40 0 IFABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 ZINC000044849249 556670203 /nfs/dbraw/zinc/67/02/03/556670203.db2.gz URAKCTHNXZYJKD-UHFFFAOYSA-N 0 0 446.525 2.586 40 0 IFABRN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 ZINC000044855285 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Cc1ccc(OCCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044908985 556680435 /nfs/dbraw/zinc/68/04/35/556680435.db2.gz WIJINJANPSHOKD-LJQANCHMSA-N 0 0 438.933 2.761 40 0 IFABRN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1OC ZINC000017961586 556680469 /nfs/dbraw/zinc/68/04/69/556680469.db2.gz ZYXYCKMBDVWYNP-NSHDSACASA-N 0 0 427.320 2.857 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 ZINC000044912198 556680955 /nfs/dbraw/zinc/68/09/55/556680955.db2.gz OXGFVRUFVGYLTF-LJQANCHMSA-N 0 0 432.498 2.646 40 0 IFABRN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1C ZINC000044911756 556680996 /nfs/dbraw/zinc/68/09/96/556680996.db2.gz CPVVVMCIJHMKAE-IBGZPJMESA-N 0 0 432.498 2.728 40 0 IFABRN CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 ZINC000044916267 556681556 /nfs/dbraw/zinc/68/15/56/556681556.db2.gz AYKGVRDFXLTEEH-NRFANRHFSA-N 0 0 432.542 2.750 40 0 IFABRN CN(CCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 ZINC000044917000 556681622 /nfs/dbraw/zinc/68/16/22/556681622.db2.gz IWFDPESZETZXFM-IBGZPJMESA-N 0 0 437.949 2.510 40 0 IFABRN CCOc1ccccc1CNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044932008 556682189 /nfs/dbraw/zinc/68/21/89/556682189.db2.gz ZRSZANNQPCCLLA-LJQANCHMSA-N 0 0 438.933 2.972 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(Cl)c1 ZINC000044940205 556683357 /nfs/dbraw/zinc/68/33/57/556683357.db2.gz FHBDMAYNOBSPIS-QGZVFWFLSA-N 0 0 438.889 2.682 40 0 IFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1OC ZINC000044947429 556683813 /nfs/dbraw/zinc/68/38/13/556683813.db2.gz HLAYTRZCYOMQJI-UHFFFAOYSA-N 0 0 432.542 2.562 40 0 IFABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)OCCO2 ZINC000018838746 556690833 /nfs/dbraw/zinc/69/08/33/556690833.db2.gz TZLPFGISVSOZMK-AWEZNQCLSA-N 0 0 436.555 2.797 40 0 IFABRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000136749328 556692119 /nfs/dbraw/zinc/69/21/19/556692119.db2.gz QEEFTXLJLJSBLO-ZCNNSNEGSA-N 0 0 437.540 2.930 40 0 IFABRN COc1ccccc1CC(=O)N1CCC(O)(Cn2ncc3ccc(NC(C)=O)cc32)CC1 ZINC000019022788 556694508 /nfs/dbraw/zinc/69/45/08/556694508.db2.gz RFJJHMSLCYXMOS-UHFFFAOYSA-N 0 0 436.512 2.600 40 0 IFABRN COc1ccc(CC(=O)N2CCC(O)(Cn3ncc4cc(NC(C)=O)ccc43)CC2)cc1 ZINC000019022726 556694590 /nfs/dbraw/zinc/69/45/90/556694590.db2.gz MKGILUCVAZWVFE-UHFFFAOYSA-N 0 0 436.512 2.600 40 0 IFABRN Cc1cc(O[C@@H](C)C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2c(C)cc(=O)oc2c1 ZINC000137970202 556699366 /nfs/dbraw/zinc/69/93/66/556699366.db2.gz NIYUNFSVJZLKDB-OKZBNKHCSA-N 0 0 434.492 2.985 40 0 IFABRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCCCCC2)cc1 ZINC000000831445 556700291 /nfs/dbraw/zinc/70/02/91/556700291.db2.gz MAWZERGAHUBBJM-FQEVSTJZSA-N 0 0 431.558 2.824 40 0 IFABRN O=C(COc1ccc(F)cc1F)N1CCNC(=O)[C@@H]1Cc1ccccc1-c1cccnc1 ZINC000257201602 556700909 /nfs/dbraw/zinc/70/09/09/556700909.db2.gz AIHLCICNFOIQRX-NRFANRHFSA-N 0 0 437.446 2.975 40 0 IFABRN 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ZINC000096145936 557176036 /nfs/dbraw/zinc/17/60/36/557176036.db2.gz CWMQYCMZPVUHKU-DYXWJJEUSA-N 0 0 432.929 2.538 40 0 IFABRN CCCn1nnnc1NCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000022111416 557179174 /nfs/dbraw/zinc/17/91/74/557179174.db2.gz CRSSLPMJZPRHQH-UHFFFAOYSA-N 0 0 435.492 2.567 40 0 IFABRN O=C(NCCN1CCOCC1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096155420 557179809 /nfs/dbraw/zinc/17/98/09/557179809.db2.gz HAAKTZIJICZMFN-UHFFFAOYSA-N 0 0 433.487 2.993 40 0 IFABRN O=C(NCc1ccccn1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 ZINC000096155943 557180340 /nfs/dbraw/zinc/18/03/40/557180340.db2.gz OICGTTONNYUXGD-UHFFFAOYSA-N 0 0 426.524 2.982 40 0 IFABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccs3)C3(C2)CCOCC3)cc1 ZINC000096241168 557185648 /nfs/dbraw/zinc/18/56/48/557185648.db2.gz OGRAHOFVBGGFTO-IBGZPJMESA-N 0 0 434.583 2.790 40 0 IFABRN CCCCS(=O)(=O)N1CCC2(C[C@H](CC(=O)N3CCN(C)CC3)c3ccccc32)CC1 ZINC000096242283 557186331 /nfs/dbraw/zinc/18/63/31/557186331.db2.gz PQYWHPLTKXTCRD-FQEVSTJZSA-N 0 0 447.645 2.802 40 0 IFABRN Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 ZINC000096243896 557188186 /nfs/dbraw/zinc/18/81/86/557188186.db2.gz OUHPAWPBMHLXHW-LJQANCHMSA-N 0 0 438.532 2.567 40 0 IFABRN O=C(Cc1ccccc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 ZINC000096251419 557188659 /nfs/dbraw/zinc/18/86/59/557188659.db2.gz JBNRVXIKCLQCJV-NVQXNPDNSA-N 0 0 432.568 2.896 40 0 IFABRN O=C(c1ccncc1)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 ZINC000096263953 557191670 /nfs/dbraw/zinc/19/16/70/557191670.db2.gz UTZUYUMDEZBDMC-OALUTQOASA-N 0 0 427.526 2.548 40 0 IFABRN CC(C)CCN1[C@H]2CCN(C(=O)c3cn[nH]c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263937 557191679 /nfs/dbraw/zinc/19/16/79/557191679.db2.gz MHXFLHZEDXGCNR-ROUUACIJSA-N 0 0 432.546 2.512 40 0 IFABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CCN2C)c1 ZINC000585261875 557197261 /nfs/dbraw/zinc/19/72/61/557197261.db2.gz GRXSNPYGEPGVQY-QHCPKHFHSA-N 0 0 435.568 2.918 40 0 IFABRN COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000010334879 557216880 /nfs/dbraw/zinc/21/68/80/557216880.db2.gz XMEYTQREOQXXMP-LBPRGKRZSA-N 0 0 440.905 2.928 40 0 IFABRN COc1ccc(-c2noc(CN(C)C(=O)COc3cc(OC)cc(OC)c3)n2)c(OC)c1 ZINC000218900833 557220244 /nfs/dbraw/zinc/22/02/44/557220244.db2.gz UDECMOQZJSRQES-UHFFFAOYSA-N 0 0 443.456 2.808 40 0 IFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000010444840 557220787 /nfs/dbraw/zinc/22/07/87/557220787.db2.gz WVMAMEGJQJHWLD-OAHLLOKOSA-N 0 0 434.514 2.974 40 0 IFABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1OC ZINC000260588029 557222246 /nfs/dbraw/zinc/22/22/46/557222246.db2.gz FDABJISBGMRSOS-SJORKVTESA-N 0 0 434.558 2.996 40 0 IFABRN COC(=O)C1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000010541870 557222771 /nfs/dbraw/zinc/22/27/71/557222771.db2.gz NHCZOCISVDVTJF-UHFFFAOYSA-N 0 0 430.526 2.602 40 0 IFABRN CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000219140251 557227527 /nfs/dbraw/zinc/22/75/27/557227527.db2.gz KECHEXNODRGUID-IBGZPJMESA-N 0 0 428.510 2.734 40 0 IFABRN COc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000219140651 557227682 /nfs/dbraw/zinc/22/76/82/557227682.db2.gz SOPUXXBKYPOYBL-UHFFFAOYSA-N 0 0 434.452 2.780 40 0 IFABRN Cc1cc(C)nc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)ncn2)n1 ZINC000585291455 557229089 /nfs/dbraw/zinc/22/90/89/557229089.db2.gz PSKDXOHNWGZNBS-DKFQHHCZSA-N 0 0 432.532 2.855 40 0 IFABRN COc1ccc(CN(C)C(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 ZINC000219187705 557230618 /nfs/dbraw/zinc/23/06/18/557230618.db2.gz XDAROEOQCGOENU-UHFFFAOYSA-N 0 0 446.525 2.882 40 0 IFABRN COc1ccc([C@H]2SCC(=O)N2[C@@H]2C(=O)N(c3ccccc3)N(C)[C@@H]2C)c(OC)c1 ZINC000011667048 557231560 /nfs/dbraw/zinc/23/15/60/557231560.db2.gz VZOZFTFPRORIHG-VQUVXCFPSA-N 0 0 427.526 2.929 40 0 IFABRN COc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC ZINC000219228444 557232080 /nfs/dbraw/zinc/23/20/80/557232080.db2.gz PBUREVOVEZPQEP-UHFFFAOYSA-N 0 0 448.541 2.750 40 0 IFABRN CN(CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000219254824 557233662 /nfs/dbraw/zinc/23/36/62/557233662.db2.gz WPXNAMPBEDXJTB-UHFFFAOYSA-N 0 0 433.549 2.620 40 0 IFABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000219257934 557233769 /nfs/dbraw/zinc/23/37/69/557233769.db2.gz KRNNBZLQOFBQAX-UHFFFAOYSA-N 0 0 446.554 2.857 40 0 IFABRN O=c1[nH]nc(-c2ccc(Br)cc2)c2c1Nc1nnnn1[C@@H]2c1cccc(O)c1 ZINC000111999839 557235926 /nfs/dbraw/zinc/23/59/26/557235926.db2.gz ZBAOZNZHUUSBPO-MRXNPFEDSA-N 0 0 438.245 2.999 40 0 IFABRN COc1ccc(CC(=O)N2Cc3[nH]c4cc(-c5ccccn5)nn4c(=O)c3C2)cc1OC ZINC000100215674 557248485 /nfs/dbraw/zinc/24/84/85/557248485.db2.gz PVWPHFQCOSCNQK-UHFFFAOYSA-N 0 0 431.452 2.599 40 0 IFABRN Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589659 557249892 /nfs/dbraw/zinc/24/98/92/557249892.db2.gz XQZTVKRSVGRUOF-QHCPKHFHSA-N 0 0 444.539 2.726 40 0 IFABRN O=C(C1CC1)N1CCc2nc3cc(C4CC[NH+](Cc5ccccn5)CC4)[n-]n3c(=O)c2C1 ZINC000100232607 557249961 /nfs/dbraw/zinc/24/99/61/557249961.db2.gz KLHNPCQSWJJAGT-UHFFFAOYSA-N 0 0 432.528 2.504 40 0 IFABRN O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233651 557250601 /nfs/dbraw/zinc/25/06/01/557250601.db2.gz KABCDEAAUUJDFP-GOSISDBHSA-N 0 0 432.528 2.504 40 0 IFABRN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCC(C(=O)OC)CC1 ZINC000219477610 557252558 /nfs/dbraw/zinc/25/25/58/557252558.db2.gz RHLMRWUBPIPICR-UHFFFAOYSA-N 0 0 442.537 2.836 40 0 IFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCC(O)CC3)cc2c1 ZINC000057594881 557254131 /nfs/dbraw/zinc/25/41/31/557254131.db2.gz NCQFXNSMNLQZJN-NRFANRHFSA-N 0 0 438.532 2.575 40 0 IFABRN COCCn1nnnc1CN(Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057615831 557255716 /nfs/dbraw/zinc/25/57/16/557255716.db2.gz DDQWVHWWEZRCOJ-UHFFFAOYSA-N 0 0 432.528 2.980 40 0 IFABRN Cc1ccc2cc(CN(CCCO)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C ZINC000057640323 557255943 /nfs/dbraw/zinc/25/59/43/557255943.db2.gz MXRKGCOSVKVSAK-UHFFFAOYSA-N 0 0 446.555 2.759 40 0 IFABRN Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C[C@@H]3CCCO3)cc2c1 ZINC000057643391 557256387 /nfs/dbraw/zinc/25/63/87/557256387.db2.gz DMQLXFASHKYSIB-IBGZPJMESA-N 0 0 434.500 2.646 40 0 IFABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000219670717 557261808 /nfs/dbraw/zinc/26/18/08/557261808.db2.gz DOCBYHCLDIJJJG-KRWDZBQOSA-N 0 0 428.510 2.948 40 0 IFABRN COc1ccc2c(c1)[C@H](NC(=O)CCN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2 ZINC000219670995 557261834 /nfs/dbraw/zinc/26/18/34/557261834.db2.gz WTJNRLYWLAZBIX-QGZVFWFLSA-N 0 0 444.509 2.648 40 0 IFABRN COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)c(OC)c1 ZINC000012941878 557265064 /nfs/dbraw/zinc/26/50/64/557265064.db2.gz QLKKGIJORADTNE-NXOAAHMSSA-N 0 0 432.517 2.778 40 0 IFABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000219968340 557273047 /nfs/dbraw/zinc/27/30/47/557273047.db2.gz JAXPAFXBSBOGPZ-UHFFFAOYSA-N 0 0 440.525 2.934 40 0 IFABRN Cc1cnccc1-c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000100739079 557273504 /nfs/dbraw/zinc/27/35/04/557273504.db2.gz IIDMILQZUFCIFJ-CEXWTWQISA-N 0 0 442.585 2.980 40 0 IFABRN CC(C)[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 ZINC000022929647 557273877 /nfs/dbraw/zinc/27/38/77/557273877.db2.gz KNAPIDNQJCGDHJ-QHCPKHFHSA-N 0 0 434.544 2.965 40 0 IFABRN COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1OC ZINC000219983051 557275049 /nfs/dbraw/zinc/27/50/49/557275049.db2.gz QXLOWXLAJKLLPE-UHFFFAOYSA-N 0 0 448.541 2.817 40 0 IFABRN CC(C)Oc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000219990276 557275527 /nfs/dbraw/zinc/27/55/27/557275527.db2.gz UZEKRQUVZVDDRI-UHFFFAOYSA-N 0 0 446.569 2.857 40 0 IFABRN C[C@@]1(C(=O)N(CC(=O)NCc2cccs2)c2ccccc2)CC(=O)N=C2C=CC=CN21 ZINC000013082986 557276274 /nfs/dbraw/zinc/27/62/74/557276274.db2.gz DUYOTJBEKMMIEB-QHCPKHFHSA-N 0 0 434.521 2.871 40 0 IFABRN C[C@]1(C(=O)N(CC(=O)NCc2ccc(F)cc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 ZINC000013082993 557276309 /nfs/dbraw/zinc/27/63/09/557276309.db2.gz OPMAIVWULFJKAT-XMMPIXPASA-N 0 0 438.503 2.686 40 0 IFABRN CN1c2ccccc2[C@](O)(CC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)C1=O ZINC000008444450 557276305 /nfs/dbraw/zinc/27/63/05/557276305.db2.gz OTFKXOZYJSBULY-DPOKWSEZSA-N 0 0 432.476 2.803 40 0 IFABRN C[C@@]1(C(=O)N(CC(=O)NCCc2ccccc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 ZINC000013082994 557276340 /nfs/dbraw/zinc/27/63/40/557276340.db2.gz UDMDTDJGNISNGI-VWLOTQADSA-N 0 0 434.540 2.590 40 0 IFABRN COc1ccccc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 ZINC000022928982 557277202 /nfs/dbraw/zinc/27/72/02/557277202.db2.gz LRFBUIWOKZSDOB-ZJSXRUAMSA-N 0 0 448.571 2.768 40 0 IFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3)NC(C)=O)CC2)c1 ZINC000013084873 557277927 /nfs/dbraw/zinc/27/79/27/557277927.db2.gz RBDSWWALLLWBGW-QFIPXVFZSA-N 0 0 438.528 2.555 40 0 IFABRN 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O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000015433836 526711014 /nfs/dbraw/zinc/71/10/14/526711014.db2.gz QFXBCDFQKUPWHO-UHFFFAOYSA-N 0 0 428.554 2.802 40 0 IFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000022250516 526957100 /nfs/dbraw/zinc/95/71/00/526957100.db2.gz NPTWUKAXLCDJQF-UHFFFAOYSA-N 0 0 446.859 2.657 40 0 IFABRN Cc1nc(NC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)sc1C ZINC000012085940 526989500 /nfs/dbraw/zinc/98/95/00/526989500.db2.gz ZEKOATFVYGILTL-ZSEKCTLFSA-N 0 0 428.514 2.618 40 0 IFABRN O=C(Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN21)Nc1ccccc1Cl ZINC000012184215 527420484 /nfs/dbraw/zinc/42/04/84/527420484.db2.gz IBLWEENKVZBDCT-UHFFFAOYSA-N 0 0 429.267 2.560 40 0 IFABRN Cc1ncsc1C(=O)N1CCC[C@H](Cn2cc(C(=O)NCc3ccccc3F)nn2)C1 ZINC000012184870 527478703 /nfs/dbraw/zinc/47/87/03/527478703.db2.gz VENAPXDNLWRACE-HNNXBMFYSA-N 0 0 442.520 2.665 40 0 IFABRN Nn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccncc1 ZINC000016755884 527584410 /nfs/dbraw/zinc/58/44/10/527584410.db2.gz KKARBMKLXDMTBX-UHFFFAOYSA-N 0 0 441.261 2.825 40 0 IFABRN O=C([O-])C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000020463402 527630291 /nfs/dbraw/zinc/63/02/91/527630291.db2.gz SPSFXWAIKQCUNY-VXKWHMMOSA-N 0 0 436.556 2.847 40 0 biogenic,in-vitro IFABRN Cc1nn(C)c(C)c1NC(=O)Cn1nc2c3c(C)c(C)sc3nc(C(C)C)n2c1=O ZINC000012181275 527647649 /nfs/dbraw/zinc/64/76/49/527647649.db2.gz QHHKHBMAQJSWRJ-UHFFFAOYSA-N 0 0 427.534 2.835 40 0 IFABRN O=C(NCCCN1CCc2ccccc21)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020454607 527674269 /nfs/dbraw/zinc/67/42/69/527674269.db2.gz FLFIROZMXHQAER-UHFFFAOYSA-N 0 0 427.570 2.795 40 0 IFABRN COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5ncccn5)CC4)nc3C2)c(OC)c1 ZINC000010157309 536937258 /nfs/dbraw/zinc/93/72/58/536937258.db2.gz VPHJHGWFAMKILU-MRXNPFEDSA-N 0 0 446.511 2.523 40 0 IFABRN COc1ccc([C@H]2[C@H](C(=O)O[C@@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000009538538 536947758 /nfs/dbraw/zinc/94/77/58/536947758.db2.gz JXUJEYSAOSCDJG-REDKUUPNSA-N 0 0 440.496 2.914 40 0 IFABRN CCS(=O)(=O)[C@@](Br)(I)C(=O)c1ccc(OC)cc1 ZINC000096518576 556823584 /nfs/dbraw/zinc/82/35/84/556823584.db2.gz ZIOGMBFHMMHETH-NSHDSACASA-N 0 0 447.088 2.796 40 0 IFABRN CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1cccc(F)c1 ZINC000096521138 556824805 /nfs/dbraw/zinc/82/48/05/556824805.db2.gz DBWUSOPXQADLMA-NXEZZACHSA-N 0 0 437.068 2.778 40 0 IFABRN COc1ccccc1NC(=O)CN1c2cc(C(=O)NC(C)C)ccc2OC(C)(C)C1=O ZINC000004965823 537082965 /nfs/dbraw/zinc/08/29/65/537082965.db2.gz GQDJWZPLSFJXQB-UHFFFAOYSA-N 0 0 425.485 2.976 40 0 IFABRN Cc1cccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3ccccc3)CCCCC2)c1 ZINC000001070020 555620616 /nfs/dbraw/zinc/62/06/16/555620616.db2.gz NPTKFGFZCJPUNU-UHFFFAOYSA-N 0 0 433.516 2.939 40 0 IFABRN COc1cc(-c2nn3c(nc(=O)n(-c4ccc(Cl)cc4)c3=O)s2)cc(OC)c1OC ZINC000001622877 555706317 /nfs/dbraw/zinc/70/63/17/555706317.db2.gz CDXZJOOBZOBFAO-UHFFFAOYSA-N 0 0 446.872 2.648 40 0 IFABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c(OC)c1 ZINC000408531087 555729598 /nfs/dbraw/zinc/72/95/98/555729598.db2.gz LZMNIUHZALCZND-UHFFFAOYSA-N 0 0 434.514 2.814 40 0 IFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(Cl)c1 ZINC000408546812 555801741 /nfs/dbraw/zinc/80/17/41/555801741.db2.gz GOGMYWFDNBHYSA-UHFFFAOYSA-N 0 0 443.903 2.733 40 0 IFABRN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408547696 555802463 /nfs/dbraw/zinc/80/24/63/555802463.db2.gz LLWCRRDIFJHBKZ-OAHLLOKOSA-N 0 0 439.940 2.982 40 0 IFABRN COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000408559300 555899020 /nfs/dbraw/zinc/89/90/20/555899020.db2.gz VAGJJHNUORPSER-LBPRGKRZSA-N 0 0 440.905 2.928 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(OC)cc3)C2)cc1 ZINC000408560836 555902332 /nfs/dbraw/zinc/90/23/32/555902332.db2.gz QICWTVSXAAWHDN-LJQANCHMSA-N 0 0 446.569 2.854 40 0 IFABRN COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1 ZINC000408561178 555902903 /nfs/dbraw/zinc/90/29/03/555902903.db2.gz RDWDQOWUBPIEQJ-OAHLLOKOSA-N 0 0 434.514 2.752 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(OC)cc3)C2)cc1 ZINC000408561813 555904428 /nfs/dbraw/zinc/90/44/28/555904428.db2.gz VMZJRZMJLQDFKT-SFHVURJKSA-N 0 0 432.542 2.811 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC)cc3)C2)cc1 ZINC000408561812 555904432 /nfs/dbraw/zinc/90/44/32/555904432.db2.gz VMZJRZMJLQDFKT-GOSISDBHSA-N 0 0 432.542 2.811 40 0 IFABRN COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000408561836 555904498 /nfs/dbraw/zinc/90/44/98/555904498.db2.gz VUTFSYGOEBGWRR-OAHLLOKOSA-N 0 0 434.514 2.752 40 0 IFABRN COc1ccc(OC)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000408561895 555904862 /nfs/dbraw/zinc/90/48/62/555904862.db2.gz WQHSBFMFGXJELY-NSHDSACASA-N 0 0 428.894 2.671 40 0 IFABRN O=C(NCCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408575778 555926468 /nfs/dbraw/zinc/92/64/68/555926468.db2.gz RAEMRWPYYCCCGL-DEOSSOPVSA-N 0 0 439.581 2.913 40 0 IFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 ZINC000408588394 555939472 /nfs/dbraw/zinc/93/94/72/555939472.db2.gz FXZJRXMYFZVWAD-UHFFFAOYSA-N 0 0 432.542 2.873 40 0 IFABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408589705 555945733 /nfs/dbraw/zinc/94/57/33/555945733.db2.gz FDFLTGRWVBPOQN-QGZVFWFLSA-N 0 0 432.542 2.984 40 0 IFABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408589704 555945788 /nfs/dbraw/zinc/94/57/88/555945788.db2.gz FDFLTGRWVBPOQN-KRWDZBQOSA-N 0 0 432.542 2.984 40 0 IFABRN COc1ccc(CCNS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1OC ZINC000408590489 555947717 /nfs/dbraw/zinc/94/77/17/555947717.db2.gz HLLYIBNGHGKOKU-UHFFFAOYSA-N 0 0 434.558 2.919 40 0 IFABRN O=C(NCCCn1ccnc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408591123 555951144 /nfs/dbraw/zinc/95/11/44/555951144.db2.gz IWQFDQNEAMTMSQ-HXUWFJFHSA-N 0 0 446.960 2.633 40 0 IFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000408597995 555956171 /nfs/dbraw/zinc/95/61/71/555956171.db2.gz YPHAHYSJOCPHSN-LLVKDONJSA-N 0 0 428.894 2.671 40 0 IFABRN CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408593648 555959492 /nfs/dbraw/zinc/95/94/92/555959492.db2.gz MYVJSXUXTOYAEZ-RMKNXTFCSA-N 0 0 441.597 2.775 40 0 IFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl ZINC000408594264 555960487 /nfs/dbraw/zinc/96/04/87/555960487.db2.gz OFRWJMMQPBLVAJ-LBPRGKRZSA-N 0 0 440.905 2.831 40 0 IFABRN CCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408595820 555962472 /nfs/dbraw/zinc/96/24/72/555962472.db2.gz UZTSXZMVOXIEFO-UHFFFAOYSA-N 0 0 426.922 2.997 40 0 IFABRN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408596182 555963167 /nfs/dbraw/zinc/96/31/67/555963167.db2.gz RMBYVXXQWLNGJK-HNNXBMFYSA-N 0 0 433.530 2.985 40 0 IFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000408597492 555965015 /nfs/dbraw/zinc/96/50/15/555965015.db2.gz WZQRGEQHZZSDTP-UHFFFAOYSA-N 0 0 437.949 2.602 40 0 IFABRN COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408597417 555965093 /nfs/dbraw/zinc/96/50/93/555965093.db2.gz YYLZSIPVTIVOTG-IBGZPJMESA-N 0 0 448.541 2.503 40 0 IFABRN COCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl ZINC000408597561 555965416 /nfs/dbraw/zinc/96/54/16/555965416.db2.gz ZHNGXEGUBHFYOW-UHFFFAOYSA-N 0 0 438.933 2.623 40 0 IFABRN COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408612776 555978029 /nfs/dbraw/zinc/97/80/29/555978029.db2.gz YSFAWSPYSIAVJV-CQSZACIVSA-N 0 0 426.922 2.979 40 0 IFABRN COc1cc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c(OC)cc1Cl ZINC000408618744 555982484 /nfs/dbraw/zinc/98/24/84/555982484.db2.gz FMOJOKRHQAGWLT-UHFFFAOYSA-N 0 0 426.922 2.800 40 0 IFABRN COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408618928 555982516 /nfs/dbraw/zinc/98/25/16/555982516.db2.gz GSDMNJQMUHALQM-UHFFFAOYSA-N 0 0 432.542 2.955 40 0 IFABRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc2c(c1)OCO2 ZINC000408619624 555986954 /nfs/dbraw/zinc/98/69/54/555986954.db2.gz HWFGNPDERJOVRY-UHFFFAOYSA-N 0 0 446.525 2.675 40 0 IFABRN COC[C@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408617583 555988700 /nfs/dbraw/zinc/98/87/00/555988700.db2.gz BTVDVJUDUVMWED-AWEZNQCLSA-N 0 0 428.913 2.821 40 0 IFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1cccc(F)c1 ZINC000408621127 555990013 /nfs/dbraw/zinc/99/00/13/555990013.db2.gz OEWBYOOTBAUSTC-UHFFFAOYSA-N 0 0 433.505 2.857 40 0 IFABRN COC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000408622581 555991383 /nfs/dbraw/zinc/99/13/83/555991383.db2.gz RIYVVJQHGJLZIZ-CQSZACIVSA-N 0 0 447.395 2.924 40 0 IFABRN COC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000408623302 555991680 /nfs/dbraw/zinc/99/16/80/555991680.db2.gz PYGLYESATYAPKJ-OAHLLOKOSA-N 0 0 440.949 2.691 40 0 IFABRN CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000408624198 555993280 /nfs/dbraw/zinc/99/32/80/555993280.db2.gz GBTFJDGYQSUYEP-UHFFFAOYSA-N 0 0 448.497 2.777 40 0 IFABRN COc1ccc(CN(C)C(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000408625134 555995639 /nfs/dbraw/zinc/99/56/39/555995639.db2.gz IELNVAPHAOMNEU-UHFFFAOYSA-N 0 0 426.922 2.782 40 0 IFABRN COC[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408626563 555997561 /nfs/dbraw/zinc/99/75/61/555997561.db2.gz ZQQMZLKNYQQKGT-SFHVURJKSA-N 0 0 434.558 2.967 40 0 IFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000408630325 556001086 /nfs/dbraw/zinc/00/10/86/556001086.db2.gz RWGLQCGDGQHVFT-UHFFFAOYSA-N 0 0 433.530 2.582 40 0 IFABRN CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)Cc1ccccc1 ZINC000004806390 556012511 /nfs/dbraw/zinc/01/25/11/556012511.db2.gz KNENAMJIAODDGM-RBUKOAKNSA-N 0 0 426.579 2.615 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000408635397 556012747 /nfs/dbraw/zinc/01/27/47/556012747.db2.gz AKPRIZCSLLEGDS-AWEZNQCLSA-N 0 0 426.922 2.521 40 0 IFABRN COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C ZINC000408635978 556014594 /nfs/dbraw/zinc/01/45/94/556014594.db2.gz MKCJAQCAJCIVHX-UHFFFAOYSA-N 0 0 432.542 2.668 40 0 IFABRN COC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3cccc(NC(C)=O)c3)n2)c1 ZINC000408638308 556015456 /nfs/dbraw/zinc/01/54/56/556015456.db2.gz RBBRYDMPPVBJEC-UHFFFAOYSA-N 0 0 425.470 2.948 40 0 IFABRN COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 ZINC000408638824 556015767 /nfs/dbraw/zinc/01/57/67/556015767.db2.gz TTWPYKBKXGWOPS-PBHICJAKSA-N 0 0 425.437 2.649 40 0 IFABRN COC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 ZINC000408638825 556016091 /nfs/dbraw/zinc/01/60/91/556016091.db2.gz TTWPYKBKXGWOPS-RHSMWYFYSA-N 0 0 425.437 2.649 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(Cl)c1 ZINC000408636534 556019308 /nfs/dbraw/zinc/01/93/08/556019308.db2.gz RTUZNOZBDVAALD-UHFFFAOYSA-N 0 0 426.922 2.899 40 0 IFABRN CCOC(=O)N1CCN(C(=O)c2cc3c(nc(SC)nc3N3CCCC3)s2)CC1 ZINC000408636893 556019614 /nfs/dbraw/zinc/01/96/14/556019614.db2.gz VRKVJXHLFUFUKF-UHFFFAOYSA-N 0 0 435.575 2.928 40 0 IFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CC)CC2)C2CCCCC2)cc1 ZINC000408636674 556019634 /nfs/dbraw/zinc/01/96/34/556019634.db2.gz SNZQLRZVQOYCDR-UHFFFAOYSA-N 0 0 437.606 2.573 40 0 IFABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl ZINC000408637115 556019815 /nfs/dbraw/zinc/01/98/15/556019815.db2.gz XVEVKXGDWJOWCC-UHFFFAOYSA-N 0 0 442.921 2.681 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)c(Cl)c1 ZINC000408636896 556019824 /nfs/dbraw/zinc/01/98/24/556019824.db2.gz VSRIKJAEONUUHE-UHFFFAOYSA-N 0 0 432.970 2.873 40 0 IFABRN COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 ZINC000408647602 556023151 /nfs/dbraw/zinc/02/31/51/556023151.db2.gz VIVBBEMWUJSDPX-ZDUSSCGKSA-N 0 0 432.860 2.892 40 0 IFABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1C ZINC000408650997 556027088 /nfs/dbraw/zinc/02/70/88/556027088.db2.gz CPUUMVGJRSVPMH-MRXNPFEDSA-N 0 0 443.887 2.632 40 0 IFABRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000408648054 556028639 /nfs/dbraw/zinc/02/86/39/556028639.db2.gz WZWJFEDBLWOMGW-KRWDZBQOSA-N 0 0 442.468 2.623 40 0 IFABRN COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@H](OC)[C@@H]1OC ZINC000005063187 556031027 /nfs/dbraw/zinc/03/10/27/556031027.db2.gz FPGCYQVKNKEGRQ-CISJTURVSA-N 0 0 428.529 2.935 40 0 IFABRN COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)c(OC)c1 ZINC000408655657 556034058 /nfs/dbraw/zinc/03/40/58/556034058.db2.gz HZIHZWVWHDIOET-MRXNPFEDSA-N 0 0 426.469 2.855 40 0 IFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000408655705 556034322 /nfs/dbraw/zinc/03/43/22/556034322.db2.gz LUJLKVULJGCZFV-ZDUSSCGKSA-N 0 0 432.860 2.892 40 0 IFABRN CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 ZINC000408653750 556034637 /nfs/dbraw/zinc/03/46/37/556034637.db2.gz FQXFQZATIOOACB-OAHLLOKOSA-N 0 0 442.468 2.637 40 0 IFABRN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 ZINC000408656488 556036435 /nfs/dbraw/zinc/03/64/35/556036435.db2.gz SRABZHSMTHGNMF-GDBMZVCRSA-N 0 0 427.453 2.880 40 0 IFABRN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 ZINC000408656491 556036449 /nfs/dbraw/zinc/03/64/49/556036449.db2.gz SRABZHSMTHGNMF-ZBFHGGJFSA-N 0 0 427.453 2.880 40 0 IFABRN Cc1cc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(C)cc1Br ZINC000408660401 556040414 /nfs/dbraw/zinc/04/04/14/556040414.db2.gz LFKYYFDRSKNMLJ-UHFFFAOYSA-N 0 0 445.269 2.844 40 0 IFABRN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1 ZINC000408661264 556041822 /nfs/dbraw/zinc/04/18/22/556041822.db2.gz FLGHJQVVGJKWPS-UHFFFAOYSA-N 0 0 428.441 2.807 40 0 IFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 ZINC000408662061 556042970 /nfs/dbraw/zinc/04/29/70/556042970.db2.gz WXHHWPYXQSPFRD-INIZCTEOSA-N 0 0 443.887 2.632 40 0 IFABRN COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000408663153 556045950 /nfs/dbraw/zinc/04/59/50/556045950.db2.gz LOZCSPICGXGVLP-UHFFFAOYSA-N 0 0 428.441 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CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000408672480 556062908 /nfs/dbraw/zinc/06/29/08/556062908.db2.gz ZIMONEHRDWYEJX-CQSZACIVSA-N 0 0 429.860 2.833 40 0 IFABRN COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(O)C=C(C)OC(=O)[C@H]23)OCO4)cc(OC)c1OC ZINC000005758988 556064796 /nfs/dbraw/zinc/06/47/96/556064796.db2.gz HLSYKUZMRGENJH-QTEQDKRBSA-N 0 0 442.420 2.731 40 0 IFABRN COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H]3COC(=O)[C@@H]32)cc2c1OCO2 ZINC000005767112 556065507 /nfs/dbraw/zinc/06/55/07/556065507.db2.gz TZBRMJJJXYXKGJ-XVSDVWIESA-N 0 0 428.437 2.927 40 0 IFABRN CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C ZINC000408674969 556066081 /nfs/dbraw/zinc/06/60/81/556066081.db2.gz NZSOBFRNWLNNPC-UHFFFAOYSA-N 0 0 436.530 2.726 40 0 IFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)COC)c(C)c2)cc1 ZINC000408675005 556066386 /nfs/dbraw/zinc/06/63/86/556066386.db2.gz OPCBVGSWRXGUQX-MRXNPFEDSA-N 0 0 436.530 2.724 40 0 IFABRN Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)s1 ZINC000408687876 556086941 /nfs/dbraw/zinc/08/69/41/556086941.db2.gz PMZLIEJAINJPJR-UHFFFAOYSA-N 0 0 427.280 2.510 40 0 IFABRN CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000006410174 556087005 /nfs/dbraw/zinc/08/70/05/556087005.db2.gz XNWQMFJQMMCXND-UHFFFAOYSA-N 0 0 442.537 2.921 40 0 IFABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 ZINC000006500988 556092003 /nfs/dbraw/zinc/09/20/03/556092003.db2.gz JNFGJINYNSQLGW-AWEZNQCLSA-N 0 0 431.562 2.863 40 0 IFABRN O=C(Cc1cccs1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)CC1 ZINC000006529224 556092267 /nfs/dbraw/zinc/09/22/67/556092267.db2.gz NDDSGZLMPWVNAE-UHFFFAOYSA-N 0 0 434.525 2.985 40 0 IFABRN Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cccc(C)c4)cc3C2=O)s1 ZINC000408691473 556094098 /nfs/dbraw/zinc/09/40/98/556094098.db2.gz ZZQHQNUSOQQNBF-UHFFFAOYSA-N 0 0 436.449 2.751 40 0 IFABRN COc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1F ZINC000408694402 556096448 /nfs/dbraw/zinc/09/64/48/556096448.db2.gz FTRPAIKEDKPZGD-UHFFFAOYSA-N 0 0 428.507 2.810 40 0 IFABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCC1 ZINC000408696630 556098496 /nfs/dbraw/zinc/09/84/96/556098496.db2.gz CRTDCUUKCNSOGP-UHFFFAOYSA-N 0 0 432.498 2.893 40 0 IFABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1NC(=O)CC ZINC000408699527 556100145 /nfs/dbraw/zinc/10/01/45/556100145.db2.gz XOSUJSOTINQEPW-UHFFFAOYSA-N 0 0 436.530 2.972 40 0 IFABRN CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000408699744 556100535 /nfs/dbraw/zinc/10/05/35/556100535.db2.gz YWZVWLZGGYJPJD-UHFFFAOYSA-N 0 0 443.569 2.832 40 0 IFABRN CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 ZINC000408701216 556104157 /nfs/dbraw/zinc/10/41/57/556104157.db2.gz ULOUEDOMYFBHKR-SFHVURJKSA-N 0 0 426.579 2.762 40 0 IFABRN C[C@H](C(=O)NCCSC1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704459 556109960 /nfs/dbraw/zinc/10/99/60/556109960.db2.gz NUKILNBSCHDHQE-OAHLLOKOSA-N 0 0 442.603 2.794 40 0 IFABRN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 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ZINC000012220966 520586061 /nfs/dbraw/zinc/58/60/61/520586061.db2.gz GIAOJOVFEGZBOU-LPHOPBHVSA-N 0 0 425.577 2.998 40 0 IFABRN CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000022227844 520793654 /nfs/dbraw/zinc/79/36/54/520793654.db2.gz ZKWXWQYUYQKHSK-UHFFFAOYSA-N 0 0 440.587 2.555 40 0 IFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000022229459 520794542 /nfs/dbraw/zinc/79/45/42/520794542.db2.gz PLYNITTVSTUBRW-UHFFFAOYSA-N 0 0 431.558 2.631 40 0 IFABRN CCOc1ccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OCC ZINC000022373019 520983597 /nfs/dbraw/zinc/98/35/97/520983597.db2.gz JDRIOJKCSFPKRS-UHFFFAOYSA-N 0 0 442.484 2.845 40 0 IFABRN CCOc1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC ZINC000022332476 520984430 /nfs/dbraw/zinc/98/44/30/520984430.db2.gz RNCUDRBRJPMYCU-UHFFFAOYSA-N 0 0 436.530 2.575 40 0 IFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 ZINC000020802407 521090696 /nfs/dbraw/zinc/09/06/96/521090696.db2.gz 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IWWMKRIKSKZVQO-GOSISDBHSA-N 0 0 438.509 2.929 40 0 IFABRN CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1ccc(COC)cc1)C2 ZINC000019752846 556896512 /nfs/dbraw/zinc/89/65/12/556896512.db2.gz CIPVXGZDHIOSAV-LJQANCHMSA-N 0 0 437.544 2.589 40 0 IFABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(CN(C)C(C)=O)cc(N(C)C)n2)cc1 ZINC000019753882 556897424 /nfs/dbraw/zinc/89/74/24/556897424.db2.gz YPDYKCQXNMJVKN-OAQYLSRUSA-N 0 0 439.560 2.826 40 0 IFABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccc3ncccc3c2)ncc1C(=O)N1CCOCC1 ZINC000019755754 556899035 /nfs/dbraw/zinc/89/90/35/556899035.db2.gz PCVLQDJRJDVKBP-NRFANRHFSA-N 0 0 431.496 2.783 40 0 IFABRN O=C(NC1CCCC1)c1cncnc1CC1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000019756966 556901058 /nfs/dbraw/zinc/90/10/58/556901058.db2.gz NOXHQBAYXBGRBI-UHFFFAOYSA-N 0 0 436.560 2.846 40 0 IFABRN Cc1c2ccccc2oc1C(=O)N1CC[C@@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 ZINC000019757605 556901575 /nfs/dbraw/zinc/90/15/75/556901575.db2.gz TYECFRRAMSOSFN-QGZVFWFLSA-N 0 0 434.496 2.942 40 0 IFABRN COc1cccc2c1OCC(C(=O)N1CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)=C2 ZINC000019757760 556901639 /nfs/dbraw/zinc/90/16/39/556901639.db2.gz UWDDPTMQZWWQQF-SFHVURJKSA-N 0 0 448.523 2.822 40 0 IFABRN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3cnccn3)CC2)cc1 ZINC000019758575 556902316 /nfs/dbraw/zinc/90/23/16/556902316.db2.gz ATNRNGJRRCONAK-UHFFFAOYSA-N 0 0 434.500 2.566 40 0 IFABRN Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000019759049 556902558 /nfs/dbraw/zinc/90/25/58/556902558.db2.gz PPPZPYNAIRYLBY-UHFFFAOYSA-N 0 0 431.540 2.769 40 0 IFABRN CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4ccncc4)C3)nc3ccccc32)CC1 ZINC000019759179 556902904 /nfs/dbraw/zinc/90/29/04/556902904.db2.gz OGCRPYFTWCCKJB-LJQANCHMSA-N 0 0 429.524 2.647 40 0 IFABRN CNC(=O)c1cc([C@H]2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)nc2ccccc21 ZINC000019762014 556905900 /nfs/dbraw/zinc/90/59/00/556905900.db2.gz YTBFLKUQDFNJBX-JOCHJYFZSA-N 0 0 439.537 2.973 40 0 IFABRN COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4ccnn4C)CC3)nc2C)cc1 ZINC000019763776 556908563 /nfs/dbraw/zinc/90/85/63/556908563.db2.gz QDAXUPHHWYGIDJ-UHFFFAOYSA-N 0 0 434.500 2.799 40 0 IFABRN COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)nn2C)cc1 ZINC000019764573 556908977 /nfs/dbraw/zinc/90/89/77/556908977.db2.gz LGGLHMDALVTTGJ-IBGZPJMESA-N 0 0 434.500 2.660 40 0 IFABRN O=C(c1cccnc1)N1CCN(c2c3c(nc4cc(C5CCOCC5)nn42)CCCC3)CC1 ZINC000072336894 556909384 /nfs/dbraw/zinc/90/93/84/556909384.db2.gz MDRDFIMNBNYSTP-UHFFFAOYSA-N 0 0 446.555 2.860 40 0 IFABRN COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cc1nonc1C ZINC000072336991 556909839 /nfs/dbraw/zinc/90/98/39/556909839.db2.gz MBFOZGZKJBBZCZ-KUHUBIRLSA-N 0 0 430.468 2.927 40 0 IFABRN COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CCn4nccc4C)C3)nc2C)cc1 ZINC000019766245 556911284 /nfs/dbraw/zinc/91/12/84/556911284.db2.gz XQLJFBBPBVCKTM-SFHVURJKSA-N 0 0 448.527 2.957 40 0 IFABRN COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)c4snnc4C)C3)nc2C)cc1 ZINC000019766219 556911343 /nfs/dbraw/zinc/91/13/43/556911343.db2.gz AINYUUPMLSCBKH-AWEZNQCLSA-N 0 0 438.513 2.836 40 0 IFABRN CCn1c(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)nc2ccccc21 ZINC000072338932 556911376 /nfs/dbraw/zinc/91/13/76/556911376.db2.gz DNAZZJRQIHAJSX-JOCHJYFZSA-N 0 0 425.558 2.998 40 0 IFABRN Cc1nc(C2CCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)ncc1C(=O)N(C)C ZINC000019766465 556911708 /nfs/dbraw/zinc/91/17/08/556911708.db2.gz OJXHRRSUPQTGGM-UHFFFAOYSA-N 0 0 437.588 2.804 40 0 IFABRN COc1cc2nc3n(c(=O)c2cc1OC)CCN(C(=O)CCc1ccccc1F)CC3 ZINC000072340093 556911944 /nfs/dbraw/zinc/91/19/44/556911944.db2.gz OPUKEVQSPSENIV-UHFFFAOYSA-N 0 0 425.460 2.570 40 0 IFABRN Cc1ncc(C(=O)NCc2ccc(F)cc2)c([C@H]2CCCCN2CC(=O)N2CCC2)n1 ZINC000019767059 556912136 /nfs/dbraw/zinc/91/21/36/556912136.db2.gz NGMNEPLGMXWKSA-HXUWFJFHSA-N 0 0 425.508 2.613 40 0 IFABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)s1 ZINC000019767366 556912500 /nfs/dbraw/zinc/91/25/00/556912500.db2.gz UGAUXMQZWYBGOP-GOSISDBHSA-N 0 0 427.574 2.562 40 0 IFABRN CCc1cc(C(=O)N2CCC[C@@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)no1 ZINC000072344709 556915218 /nfs/dbraw/zinc/91/52/18/556915218.db2.gz XZTLYFSHLUCBLR-MRXNPFEDSA-N 0 0 436.516 2.528 40 0 IFABRN CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)Cc3ccccc3)o2)CC1 ZINC000072344882 556915837 /nfs/dbraw/zinc/91/58/37/556915837.db2.gz FYSROJVTJKXXOO-LJQANCHMSA-N 0 0 446.573 2.895 40 0 IFABRN CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000072345294 556916802 /nfs/dbraw/zinc/91/68/02/556916802.db2.gz ANIMYFJAWLRIBN-QFIPXVFZSA-N 0 0 433.552 2.920 40 0 IFABRN Cc1nc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345549 556917209 /nfs/dbraw/zinc/91/72/09/556917209.db2.gz QERLMAXIXHCWCK-QGZVFWFLSA-N 0 0 436.491 2.607 40 0 IFABRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OCC)C2=O)cc1OC ZINC000409012292 556918388 /nfs/dbraw/zinc/91/83/88/556918388.db2.gz QDHNEIOLYYPRRW-SEJMYLSOSA-N 0 0 437.470 2.625 40 0 IFABRN COc1ccc(-n2ncc3c2N(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C(=O)N2CCN=C32)cc1 ZINC000072347801 556919220 /nfs/dbraw/zinc/91/92/20/556919220.db2.gz BLOYRZNVUWQQES-HOTGVXAUSA-N 0 0 436.516 2.673 40 0 IFABRN COc1ccc(-n2ncc3c2N(CC(=O)N2[C@H](C)CCC[C@H]2C)C(=O)N2CCN=C32)cc1 ZINC000072347802 556919229 /nfs/dbraw/zinc/91/92/29/556919229.db2.gz BLOYRZNVUWQQES-HZPDHXFCSA-N 0 0 436.516 2.673 40 0 IFABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(-c3cccc(CO)c3)n2)C1 ZINC000072350150 556920147 /nfs/dbraw/zinc/92/01/47/556920147.db2.gz LGVYCNRYWXPYNM-LJQANCHMSA-N 0 0 426.542 2.851 40 0 IFABRN COc1ccccc1Cc1cccc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000072350350 556920454 /nfs/dbraw/zinc/92/04/54/556920454.db2.gz BDBCMKJUYVXISL-SFHVURJKSA-N 0 0 426.542 2.983 40 0 IFABRN CCN1CCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351739 556922020 /nfs/dbraw/zinc/92/20/20/556922020.db2.gz BXBYVONCSVQTCJ-XZOQPEGZSA-N 0 0 448.567 2.607 40 0 IFABRN O=C(C[C@@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCCc1ccccc1 ZINC000019819505 556922942 /nfs/dbraw/zinc/92/29/42/556922942.db2.gz KYXBJXZLPPPVLA-JOCHJYFZSA-N 0 0 442.523 2.960 40 0 IFABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000409028556 556924812 /nfs/dbraw/zinc/92/48/12/556924812.db2.gz ORGHOCSJGGDKMJ-OAHLLOKOSA-N 0 0 433.530 2.627 40 0 IFABRN CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(I)cc1 ZINC000409024590 556925334 /nfs/dbraw/zinc/92/53/34/556925334.db2.gz FLBCHALSFODMJR-UHFFFAOYSA-N 0 0 436.315 2.506 40 0 IFABRN COc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccccc2)cc1 ZINC000409026133 556926189 /nfs/dbraw/zinc/92/61/89/556926189.db2.gz HEFYHKOKOQMAQD-UHFFFAOYSA-N 0 0 439.493 2.628 40 0 IFABRN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cn(C)nc4C)C3)c2)cn1 ZINC000072353660 556927345 /nfs/dbraw/zinc/92/73/45/556927345.db2.gz JLKIRFXHIYYRBS-SFHVURJKSA-N 0 0 432.528 2.873 40 0 IFABRN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)CCc4nc(C)no4)C3)c2)cn1 ZINC000072353781 556928328 /nfs/dbraw/zinc/92/83/28/556928328.db2.gz GZCRLRSTXSMFBZ-SFHVURJKSA-N 0 0 448.527 2.842 40 0 IFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N1 ZINC000409045834 556930572 /nfs/dbraw/zinc/93/05/72/556930572.db2.gz ITMXOLVVLCTDDW-LUDQZLGDSA-N 0 0 434.517 2.807 40 0 IFABRN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Nc4cc(C)[nH]n4)nc(C)n3)C2)CC1 ZINC000072360844 556933149 /nfs/dbraw/zinc/93/31/49/556933149.db2.gz IWTZYYJKHXTJES-SFHVURJKSA-N 0 0 425.537 2.525 40 0 IFABRN NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861155 556933683 /nfs/dbraw/zinc/93/36/83/556933683.db2.gz BNYGLOCDBUDDHH-HNNXBMFYSA-N 0 0 435.933 2.619 40 0 IFABRN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1cnn(C)c1 ZINC000072370261 556934334 /nfs/dbraw/zinc/93/43/34/556934334.db2.gz BCOLVCGESYIMSO-MRXNPFEDSA-N 0 0 426.542 2.858 40 0 IFABRN CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)Cn1cccnc1=O ZINC000072370407 556934866 /nfs/dbraw/zinc/93/48/66/556934866.db2.gz QFWSPDQXQNFJNZ-INIZCTEOSA-N 0 0 438.553 2.784 40 0 IFABRN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O ZINC000072370620 556935696 /nfs/dbraw/zinc/93/56/96/556935696.db2.gz JQVIYCCHOJBPMV-INIZCTEOSA-N 0 0 438.553 2.750 40 0 IFABRN CCS(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1cccc(F)c1 ZINC000072371836 556941144 /nfs/dbraw/zinc/94/11/44/556941144.db2.gz JNVUVNMZTIBBSA-GOSISDBHSA-N 0 0 432.521 2.890 40 0 IFABRN COc1cccc(CN2C(=O)Cc3c2nc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc3C)c1 ZINC000072371919 556941302 /nfs/dbraw/zinc/94/13/02/556941302.db2.gz KZWKMAUGUJOQRP-HXUWFJFHSA-N 0 0 446.511 2.594 40 0 IFABRN CNc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 ZINC000072372342 556942246 /nfs/dbraw/zinc/94/22/46/556942246.db2.gz XHUZKSNDVHJEJE-FQEVSTJZSA-N 0 0 441.507 2.695 40 0 IFABRN CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3sc(C)nc3C)nc(N(C)C)c2C1 ZINC000072372326 556942277 /nfs/dbraw/zinc/94/22/77/556942277.db2.gz FKPBLNBRWKQFLW-GOSISDBHSA-N 0 0 442.589 2.888 40 0 IFABRN Cn1c2ccccc2n(Cc2cc(NCC3(c4ccccc4)CCOCC3)nc(N)n2)c1=O ZINC000072373328 556946273 /nfs/dbraw/zinc/94/62/73/556946273.db2.gz 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436.530 2.744 40 0 IFABRN CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000260836450 557860085 /nfs/dbraw/zinc/86/00/85/557860085.db2.gz PRSBMJCJJYBBIB-HZPDHXFCSA-N 0 0 448.541 2.888 40 0 IFABRN COc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260841094 557860998 /nfs/dbraw/zinc/86/09/98/557860998.db2.gz JGUQBKMQXQLHAM-KGLIPLIRSA-N 0 0 442.484 2.712 40 0 IFABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O ZINC000260846275 557862001 /nfs/dbraw/zinc/86/20/01/557862001.db2.gz JXEJROWOUJXWMA-CYBMUJFWSA-N 0 0 444.912 2.837 40 0 IFABRN CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)NC4CCCCC4)CO[C@H]23)cc1 ZINC000006137706 560205376 /nfs/dbraw/zinc/20/53/76/560205376.db2.gz NFRJIERVOAYSTN-MTQWCTHYSA-N 0 0 431.489 2.604 40 0 biogenic,in-vitro IFABRN O=S(=O)(Cc1noc([C@@H]2C[C@@H](O)CN2Cc2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000015673970 560230789 /nfs/dbraw/zinc/23/07/89/560230789.db2.gz QEJHIYSMFDQVRC-AEFFLSMTSA-N 0 0 435.452 2.630 40 0 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COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000014313187 556412931 /nfs/dbraw/zinc/41/29/31/556412931.db2.gz WZDVBRJUFZTZCL-CYBMUJFWSA-N 0 0 441.347 2.956 40 0 IFABRN COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1OC ZINC000012946440 556417849 /nfs/dbraw/zinc/41/78/49/556417849.db2.gz SAKMJRLYVPELEG-FRQCXROJSA-N 0 0 442.365 2.947 40 0 IFABRN COc1cc([C@@H]2c3cc4c(c(OC)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000014638387 556430686 /nfs/dbraw/zinc/43/06/86/556430686.db2.gz BFKORKXLSJUYSS-DPMMWBKBSA-N 0 0 428.437 2.927 40 0 IFABRN CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)OCC)C3)C2=O)cc1 ZINC000037100414 556440319 /nfs/dbraw/zinc/44/03/19/556440319.db2.gz FCYOHSVNGFHIEL-PKOBYXMFSA-N 0 0 430.501 2.551 40 0 IFABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000014820054 556448175 /nfs/dbraw/zinc/44/81/75/556448175.db2.gz DAQLTWSRJDUWQP-UHFFFAOYSA-N 0 0 432.542 2.763 40 0 IFABRN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)CC1 ZINC000014908150 556458355 /nfs/dbraw/zinc/45/83/55/556458355.db2.gz OUGLTXLIHDBYKZ-UHFFFAOYSA-N 0 0 442.585 2.865 40 0 IFABRN O=C(NCCCN1CCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000029521726 556477478 /nfs/dbraw/zinc/47/74/78/556477478.db2.gz JXORTLPIRSRJCF-LJQANCHMSA-N 0 0 445.560 2.795 40 0 IFABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000029773988 556482280 /nfs/dbraw/zinc/48/22/80/556482280.db2.gz QQBJPNGCSUUIBG-KRWDZBQOSA-N 0 0 432.542 2.906 40 0 IFABRN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC ZINC000015012328 556483714 /nfs/dbraw/zinc/48/37/14/556483714.db2.gz QRKPVPYMKACGJB-UHFFFAOYSA-N 0 0 440.905 2.630 40 0 IFABRN COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(OC)c1 ZINC000030750892 556502900 /nfs/dbraw/zinc/50/29/00/556502900.db2.gz CGDPKKOXUOIGMV-QGZVFWFLSA-N 0 0 426.878 2.523 40 0 IFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCc1ccc(OC)c(OC)c1 ZINC000030752214 556503252 /nfs/dbraw/zinc/50/32/52/556503252.db2.gz 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COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000030873022 556514070 /nfs/dbraw/zinc/51/40/70/556514070.db2.gz ZZVSVMKQUAGGMM-UHFFFAOYSA-N 0 0 443.525 2.859 40 0 IFABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000031288966 556521554 /nfs/dbraw/zinc/52/15/54/556521554.db2.gz OGLLCPCMBQTPBU-SJLPKXTDSA-N 0 0 430.526 2.736 40 0 IFABRN O=C(NCc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000015340644 556522288 /nfs/dbraw/zinc/52/22/88/556522288.db2.gz BHDJQTZUCYZWKS-UHFFFAOYSA-N 0 0 429.325 2.944 40 0 IFABRN CCOC(=O)C1CCN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 ZINC000013595831 556531973 /nfs/dbraw/zinc/53/19/73/556531973.db2.gz URMOTQBZZOBIQS-UHFFFAOYSA-N 0 0 444.981 2.996 40 0 IFABRN COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000015514826 556532343 /nfs/dbraw/zinc/53/23/43/556532343.db2.gz KEQHFHVDJLVMFY-UHFFFAOYSA-N 0 0 432.542 2.737 40 0 IFABRN COC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000013668757 556549171 /nfs/dbraw/zinc/54/91/71/556549171.db2.gz NHGWARJRPXEGNL-UHFFFAOYSA-N 0 0 442.965 2.930 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c(C)c1 ZINC000013669998 556550978 /nfs/dbraw/zinc/55/09/78/556550978.db2.gz LEGVURWATHYUER-UHFFFAOYSA-N 0 0 426.441 2.855 40 0 IFABRN COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000013671822 556552387 /nfs/dbraw/zinc/55/23/87/556552387.db2.gz ZZTKAHSSGOCZOR-INIZCTEOSA-N 0 0 448.541 2.686 40 0 IFABRN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000013677981 556555371 /nfs/dbraw/zinc/55/53/71/556555371.db2.gz QGJLYRDVWAJBEN-GOSISDBHSA-N 0 0 432.542 2.763 40 0 IFABRN Cc1cccc(N(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)S(C)(=O)=O)c1 ZINC000013679033 556555657 /nfs/dbraw/zinc/55/56/57/556555657.db2.gz LFOAMAQGHCOMNL-UHFFFAOYSA-N 0 0 426.542 2.978 40 0 IFABRN COc1ccc(N([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl ZINC000013680054 556556459 /nfs/dbraw/zinc/55/64/59/556556459.db2.gz WRFXABRHJUBKAP-GFCCVEGCSA-N 0 0 440.905 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/nfs/dbraw/zinc/61/62/41/556616241.db2.gz KLCSJAQNOYAYIS-UHFFFAOYSA-N 0 0 436.530 2.573 40 0 IFABRN Cc1ccc(SCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000038754507 556616992 /nfs/dbraw/zinc/61/69/92/556616992.db2.gz RPGFWBZSWQDQSN-UHFFFAOYSA-N 0 0 425.551 2.655 40 0 IFABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2Cl)cc1 ZINC000038771320 556618879 /nfs/dbraw/zinc/61/88/79/556618879.db2.gz LYNPPVBCKLRDKG-UHFFFAOYSA-N 0 0 437.949 2.511 40 0 IFABRN COC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038834560 556622488 /nfs/dbraw/zinc/62/24/88/556622488.db2.gz VFAXKMFXKPDBJP-LJQANCHMSA-N 0 0 446.525 2.936 40 0 IFABRN COC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038834561 556622506 /nfs/dbraw/zinc/62/25/06/556622506.db2.gz VFAXKMFXKPDBJP-IBGZPJMESA-N 0 0 446.525 2.936 40 0 IFABRN COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000038834987 556623091 /nfs/dbraw/zinc/62/30/91/556623091.db2.gz DXDXFAVYSFHZDI-QGZVFWFLSA-N 0 0 426.878 2.523 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556625039 /nfs/dbraw/zinc/62/50/39/556625039.db2.gz XRMIZZRHKYXRCA-WBVHZDCISA-N 0 0 426.416 2.612 40 0 biogenic,in-vitro IFABRN CCN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986905 556633270 /nfs/dbraw/zinc/63/32/70/556633270.db2.gz NLUOBBDFWNBSNP-UHFFFAOYSA-N 0 0 426.494 2.896 40 0 IFABRN CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000039986897 556633304 /nfs/dbraw/zinc/63/33/04/556633304.db2.gz GXJFMECLWZUPKU-UHFFFAOYSA-N 0 0 432.542 2.652 40 0 IFABRN CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3cccc(Cl)c3)c(COC)nn21 ZINC000040385162 556635770 /nfs/dbraw/zinc/63/57/70/556635770.db2.gz HJAXYWDCFHRMIM-UHFFFAOYSA-N 0 0 432.864 2.873 40 0 IFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)C1 ZINC000040388919 556636569 /nfs/dbraw/zinc/63/65/69/556636569.db2.gz WSLDIETXOUPJIC-JQWIXIFHSA-N 0 0 433.871 2.863 40 0 IFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000040390553 556637369 /nfs/dbraw/zinc/63/73/69/556637369.db2.gz 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CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O ZINC000044850161 556670469 /nfs/dbraw/zinc/67/04/69/556670469.db2.gz RDRLVVYWBJUGLN-UHFFFAOYSA-N 0 0 442.541 2.662 40 0 IFABRN Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 ZINC000044855287 556671361 /nfs/dbraw/zinc/67/13/61/556671361.db2.gz GIEIPMUNPCGPOT-OXQOHEQNSA-N 0 0 430.526 2.941 40 0 IFABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000044855436 556671676 /nfs/dbraw/zinc/67/16/76/556671676.db2.gz STFPYEBJPOMYHV-UZLBHIALSA-N 0 0 430.526 2.941 40 0 IFABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000044855719 556671911 /nfs/dbraw/zinc/67/19/11/556671911.db2.gz YRPHXOSBTONLEG-JXFKEZNVSA-N 0 0 446.525 2.641 40 0 IFABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 ZINC000044855578 556671918 /nfs/dbraw/zinc/67/19/18/556671918.db2.gz CIEPDZYIMTZULZ-UZLBHIALSA-N 0 0 446.525 2.641 40 0 IFABRN COc1ccccc1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000044903385 556678646 /nfs/dbraw/zinc/67/86/46/556678646.db2.gz LXCRERIJNVQANE-UHFFFAOYSA-N 0 0 430.570 2.986 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3OC)CC2)cc1 ZINC000017970414 556680381 /nfs/dbraw/zinc/68/03/81/556680381.db2.gz RUWPCVUEQXFYDP-INIZCTEOSA-N 0 0 432.542 2.982 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 ZINC000044912194 556680980 /nfs/dbraw/zinc/68/09/80/556680980.db2.gz OXGFVRUFVGYLTF-IBGZPJMESA-N 0 0 432.498 2.646 40 0 IFABRN O=C(NCCSCc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000018075961 556682958 /nfs/dbraw/zinc/68/29/58/556682958.db2.gz USZGHMRMGZPCDP-UHFFFAOYSA-N 0 0 426.535 2.869 40 0 IFABRN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2)N1CCN(C(=O)c2ccco2)CC1 ZINC000000793189 556695412 /nfs/dbraw/zinc/69/54/12/556695412.db2.gz QQZOXZBHASSWBN-CJNGLKHVSA-N 0 0 437.422 2.772 40 0 IFABRN CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000807311 556697275 /nfs/dbraw/zinc/69/72/75/556697275.db2.gz JSHZJITTYPSLEQ-UHFFFAOYSA-N 0 0 449.548 2.630 40 0 IFABRN O=C(COc1ccc(F)cc1F)N1CCNC(=O)[C@H]1Cc1ccccc1-c1cccnc1 ZINC000257201603 556700943 /nfs/dbraw/zinc/70/09/43/556700943.db2.gz AIHLCICNFOIQRX-OAQYLSRUSA-N 0 0 437.446 2.975 40 0 IFABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1 ZINC000019134412 556705279 /nfs/dbraw/zinc/70/52/79/556705279.db2.gz ROLVRTJYACXHAJ-OAHLLOKOSA-N 0 0 426.498 2.739 40 0 IFABRN COc1ccccc1[C@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CCN1C ZINC000257221714 556707738 /nfs/dbraw/zinc/70/77/38/556707738.db2.gz DQFZHUDMNJWXGA-OAQYLSRUSA-N 0 0 437.540 2.825 40 0 IFABRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 ZINC000019211903 556709457 /nfs/dbraw/zinc/70/94/57/556709457.db2.gz SBFGQAHKMLGSQZ-SFHVURJKSA-N 0 0 444.553 2.632 40 0 IFABRN Cc1ccnn1CCC(=O)N1CCO[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(N)=O)C1 ZINC000019212672 556710241 /nfs/dbraw/zinc/71/02/41/556710241.db2.gz AFAMXMFQMFXSIG-AREMUKBSSA-N 0 0 446.551 2.883 40 0 IFABRN 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COCCN1C[C@H](C(=O)NCc2ccc(-c3nc(C)ncc3-c3ccccn3)cc2)CC1=O ZINC000019287066 556728285 /nfs/dbraw/zinc/72/82/85/556728285.db2.gz YJBBODIOQJHDQW-HXUWFJFHSA-N 0 0 445.523 2.625 40 0 IFABRN COc1cccc([C@@H]2CN(C(=O)c3c4c(nn3C)CCCC4)C[C@]23CCCCC(=O)N3)c1 ZINC000019288653 556728869 /nfs/dbraw/zinc/72/88/69/556728869.db2.gz LCSYERBYNLEEJX-NBGIEHNGSA-N 0 0 436.556 2.976 40 0 IFABRN COCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(s1)CCc1c-2cnn1C ZINC000019289598 556729450 /nfs/dbraw/zinc/72/94/50/556729450.db2.gz XFLVJPJQEPMBIA-UHFFFAOYSA-N 0 0 426.498 2.707 40 0 IFABRN COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2ccc(=O)n(C)c2)c1 ZINC000019290514 556730595 /nfs/dbraw/zinc/73/05/95/556730595.db2.gz PGYIRFHMNLLOPW-UHFFFAOYSA-N 0 0 429.480 2.749 40 0 IFABRN Cn1cc(CN2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)CC2CCCCC2)CC3)cn1 ZINC000019290693 556730932 /nfs/dbraw/zinc/73/09/32/556730932.db2.gz DBBSGEXATRLORG-OAQYLSRUSA-N 0 0 438.576 2.696 40 0 IFABRN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000000879771 556731229 /nfs/dbraw/zinc/73/12/29/556731229.db2.gz IQPOVGFQAOLJIJ-RBUKOAKNSA-N 0 0 431.558 2.571 40 0 IFABRN O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 ZINC000019293043 556732408 /nfs/dbraw/zinc/73/24/08/556732408.db2.gz XHAWOOWPWAVXAY-OAHLLOKOSA-N 0 0 428.483 2.722 40 0 IFABRN CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000000880875 556732934 /nfs/dbraw/zinc/73/29/34/556732934.db2.gz CEYWEOSEZCVJKR-UHFFFAOYSA-N 0 0 443.573 2.699 40 0 IFABRN O=C(Cc1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 ZINC000019293724 556733267 /nfs/dbraw/zinc/73/32/67/556733267.db2.gz KSCVYLLMYJLFHC-FQEVSTJZSA-N 0 0 438.503 2.500 40 0 IFABRN O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 ZINC000019333348 556737797 /nfs/dbraw/zinc/73/77/97/556737797.db2.gz GIHMIPLQPVBODL-HXUWFJFHSA-N 0 0 438.503 2.500 40 0 IFABRN O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2)NCc1ccc(F)cc1 ZINC000019334561 556737967 /nfs/dbraw/zinc/73/79/67/556737967.db2.gz PNSOYBOTGQUSFM-JOCHJYFZSA-N 0 0 444.894 2.660 40 0 IFABRN O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019336658 556738503 /nfs/dbraw/zinc/73/85/03/556738503.db2.gz JLXGPDMDOXBTIA-AEFFLSMTSA-N 0 0 442.534 2.915 40 0 IFABRN O=C(C[C@@H]1CCS(=O)(=O)C1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 ZINC000019340490 556739884 /nfs/dbraw/zinc/73/98/84/556739884.db2.gz KJRAWPHTJKMXQK-INIZCTEOSA-N 0 0 442.516 2.692 40 0 IFABRN O=C(CCn1cncn1)N1CCC[C@@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 ZINC000019340757 556740082 /nfs/dbraw/zinc/74/00/82/556740082.db2.gz VQBJTFDVCPIPHQ-HXUWFJFHSA-N 0 0 446.559 2.917 40 0 IFABRN O=C([C@@H]1CCC(=O)N1)N1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 ZINC000019341138 556740112 /nfs/dbraw/zinc/74/01/12/556740112.db2.gz CFYFHPLLXXTRMT-IBGZPJMESA-N 0 0 432.459 2.585 40 0 IFABRN O=C(c1cccs1)N1CCc2c(=O)[nH]c([C@@H]3CCCCN3C(=O)C3CCC3)nc2C1 ZINC000019342841 556740658 /nfs/dbraw/zinc/74/06/58/556740658.db2.gz DPWWVMFAHHJFOA-KRWDZBQOSA-N 0 0 426.542 2.884 40 0 IFABRN O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 ZINC000019343664 556741600 /nfs/dbraw/zinc/74/16/00/556741600.db2.gz JXQVRBVMMRDDRI-OALUTQOASA-N 0 0 428.558 2.622 40 0 IFABRN Cc1cccc(COCC[C@H]2CCOC23CCN(S(=O)(=O)c2cccnc2)CC3)n1 ZINC000575406502 556746147 /nfs/dbraw/zinc/74/61/47/556746147.db2.gz YAZCOOHJVQSIDN-IBGZPJMESA-N 0 0 431.558 2.952 40 0 IFABRN O=C(CCc1nc(-c2cccnc2)no1)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000019368167 556746356 /nfs/dbraw/zinc/74/63/56/556746356.db2.gz YZMKKRDJKZSDOY-MHECFPHRSA-N 0 0 449.486 2.868 40 0 IFABRN COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1O ZINC000000915860 556746656 /nfs/dbraw/zinc/74/66/56/556746656.db2.gz BLCLFSADXUJFFI-UHFFFAOYSA-N 0 0 426.498 2.599 40 0 IFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000000667380 556748163 /nfs/dbraw/zinc/74/81/63/556748163.db2.gz GIDFTSPCKXBXIU-INIZCTEOSA-N 0 0 432.542 2.982 40 0 IFABRN 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CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222956680 557408150 /nfs/dbraw/zinc/40/81/50/557408150.db2.gz LGYUZWHFVAACFU-OAQYLSRUSA-N 0 0 445.585 2.786 40 0 IFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)c1 ZINC000222967244 557409238 /nfs/dbraw/zinc/40/92/38/557409238.db2.gz OAOQYEXHXWMUBN-GJZGRUSLSA-N 0 0 436.530 2.744 40 0 IFABRN COc1ccc(/C=C2\SC(=O)N(CCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 ZINC000033545019 557410261 /nfs/dbraw/zinc/41/02/61/557410261.db2.gz OBORWEBXDBVWFO-HJHGFDQJSA-N 0 0 440.521 2.841 40 0 IFABRN COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N[C@H](CO)Cc2ccccc2)C1=O ZINC000033589382 557415586 /nfs/dbraw/zinc/41/55/86/557415586.db2.gz DKTBXPJZLOCJBY-HJHGFDQJSA-N 0 0 440.521 2.841 40 0 IFABRN COc1cc(CN(C)C(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc(OC)c1OC ZINC000223039754 557419435 /nfs/dbraw/zinc/41/94/35/557419435.db2.gz ZAQYXCFOJXFXJQ-UHFFFAOYSA-N 0 0 443.525 2.933 40 0 IFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1OC ZINC000223058499 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CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)CC1 ZINC000014906264 556457945 /nfs/dbraw/zinc/45/79/45/556457945.db2.gz QAEPPNKBKNNZKD-UHFFFAOYSA-N 0 0 443.447 2.774 40 0 IFABRN O=C(NCCCN1CCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000029521242 556477497 /nfs/dbraw/zinc/47/74/97/556477497.db2.gz BKLJMHHBWIZOCL-UHFFFAOYSA-N 0 0 427.570 2.656 40 0 IFABRN O=C(CN1CCCC1=O)N1CCC(c2nc3ccccc3cc2C(=O)N2CCCC2)CC1 ZINC000013267618 556501412 /nfs/dbraw/zinc/50/14/12/556501412.db2.gz PBBSINJFWOMAGI-UHFFFAOYSA-N 0 0 434.540 2.799 40 0 IFABRN COc1ccccc1CN(C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000030753064 556503532 /nfs/dbraw/zinc/50/35/32/556503532.db2.gz QTXYDKIKYZCUET-UHFFFAOYSA-N 0 0 441.347 2.882 40 0 IFABRN CCCn1nnc(NC(=O)COc2c(C)cc(Br)cc2Br)n1 ZINC000032118849 556533060 /nfs/dbraw/zinc/53/30/60/556533060.db2.gz SQAHSKKJEUYHRU-UHFFFAOYSA-N 0 0 433.104 2.934 40 0 IFABRN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000036613867 556507883 /nfs/dbraw/zinc/50/78/83/556507883.db2.gz FRXCIXQLQQVDCM-HUUCEWRRSA-N 0 0 440.466 2.851 40 0 IFABRN Cc1nccn1-c1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000030851588 556508989 /nfs/dbraw/zinc/50/89/89/556508989.db2.gz XLWWWNRBKAYKLD-UHFFFAOYSA-N 0 0 426.542 2.880 40 0 IFABRN CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)cc1 ZINC000013496187 556509105 /nfs/dbraw/zinc/50/91/05/556509105.db2.gz KKXUOPJXRYKXOX-UHFFFAOYSA-N 0 0 447.542 2.905 40 0 IFABRN COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC(C)C)c1ccc(F)cc1 ZINC000013501371 556509450 /nfs/dbraw/zinc/50/94/50/556509450.db2.gz SODWHWKEKSBIGW-QFIPXVFZSA-N 0 0 444.507 2.680 40 0 IFABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCC(C(N)=O)CC3)c2)cc1 ZINC000030853622 556509672 /nfs/dbraw/zinc/50/96/72/556509672.db2.gz OZTVFTJJRYBAAA-UHFFFAOYSA-N 0 0 435.933 2.787 40 0 IFABRN CCOc1cccc(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000030862845 556511628 /nfs/dbraw/zinc/51/16/28/556511628.db2.gz YARQMJKKPCGHLE-UHFFFAOYSA-N 0 0 426.922 2.830 40 0 IFABRN CCn1cc(CN(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2cn(C)nc2C)c(C)n1 ZINC000036615329 556512182 /nfs/dbraw/zinc/51/21/82/556512182.db2.gz SKUXASGLKNIZER-UHFFFAOYSA-N 0 0 447.561 2.662 40 0 IFABRN Cc1nccn1-c1ccc(CNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000030873824 556514085 /nfs/dbraw/zinc/51/40/85/556514085.db2.gz YCKPDZBNTPRJRS-UHFFFAOYSA-N 0 0 426.542 2.880 40 0 IFABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000030939761 556515969 /nfs/dbraw/zinc/51/59/69/556515969.db2.gz XXRKZVQTNJSKKR-FQEVSTJZSA-N 0 0 445.541 2.772 40 0 IFABRN COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581924 556528378 /nfs/dbraw/zinc/52/83/78/556528378.db2.gz JRGCDOYTQGLMQA-UHFFFAOYSA-N 0 0 434.558 2.761 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000015505216 556531719 /nfs/dbraw/zinc/53/17/19/556531719.db2.gz RCVXZNWNBLEODC-UHFFFAOYSA-N 0 0 429.542 2.868 40 0 IFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)COc3cccc4ccccc43)cc2)CC1 ZINC000032125173 556534308 /nfs/dbraw/zinc/53/43/08/556534308.db2.gz FXEGMVBPUFGGTR-UHFFFAOYSA-N 0 0 439.537 2.939 40 0 IFABRN O=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000015584129 556535954 /nfs/dbraw/zinc/53/59/54/556535954.db2.gz TVOIXFJXAQDKRT-UHFFFAOYSA-N 0 0 429.325 2.944 40 0 IFABRN CCc1ccccc1N(CC(=O)N1CCC(C(=O)OC)CC1)S(=O)(=O)c1ccccc1 ZINC000013632783 556539881 /nfs/dbraw/zinc/53/98/81/556539881.db2.gz MGYUTJGWYNZGAO-UHFFFAOYSA-N 0 0 444.553 2.856 40 0 IFABRN CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000032640017 556544312 /nfs/dbraw/zinc/54/43/12/556544312.db2.gz NTKFEJVEHRPUEZ-MOPGFXCFSA-N 0 0 429.567 2.963 40 0 IFABRN COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000013671820 556552344 /nfs/dbraw/zinc/55/23/44/556552344.db2.gz ZZTKAHSSGOCZOR-MRXNPFEDSA-N 0 0 448.541 2.686 40 0 IFABRN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 ZINC000013677230 556555115 /nfs/dbraw/zinc/55/51/15/556555115.db2.gz JCMTUQMYPFHEQC-HXUWFJFHSA-N 0 0 445.541 2.724 40 0 IFABRN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013678009 556555463 /nfs/dbraw/zinc/55/54/63/556555463.db2.gz MAMKFVYUNGXUIX-UHFFFAOYSA-N 0 0 430.570 2.986 40 0 IFABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033156541 556556500 /nfs/dbraw/zinc/55/65/00/556556500.db2.gz ZXKQZSCDCMYFFF-QGZVFWFLSA-N 0 0 429.542 2.866 40 0 IFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1F ZINC000016188314 556588216 /nfs/dbraw/zinc/58/82/16/556588216.db2.gz OUHRHBJOEWKQLA-UHFFFAOYSA-N 0 0 449.273 2.995 40 0 IFABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)c(OC)c1 ZINC000016215565 556591619 /nfs/dbraw/zinc/59/16/19/556591619.db2.gz OKVWKKQOFRABKH-UHFFFAOYSA-N 0 0 434.514 2.942 40 0 IFABRN CCc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)n([C@H]3CCS(=O)(=O)C3)n2)s1 ZINC000036631333 556599185 /nfs/dbraw/zinc/59/91/85/556599185.db2.gz GFGRTQGPQUGQOR-ZDUSSCGKSA-N 0 0 447.542 2.585 40 0 IFABRN O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Br ZINC000036634039 556599292 /nfs/dbraw/zinc/59/92/92/556599292.db2.gz SAIYIUOOIZJUHC-LJQANCHMSA-N 0 0 428.330 2.899 40 0 IFABRN O=C(NC(=S)NCCCN1CCOCC1)c1cccc2c(Br)cccc12 ZINC000016431527 556607543 /nfs/dbraw/zinc/60/75/43/556607543.db2.gz XCMRRIBDENPKHT-UHFFFAOYSA-N 0 0 436.375 2.929 40 0 IFABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000016489044 556612074 /nfs/dbraw/zinc/61/20/74/556612074.db2.gz ORTYTENELRFSEB-UHFFFAOYSA-N 0 0 443.569 2.635 40 0 IFABRN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000038772615 556619423 /nfs/dbraw/zinc/61/94/23/556619423.db2.gz RJETZBQSTYUEFH-GOSISDBHSA-N 0 0 446.569 2.821 40 0 IFABRN COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000038772613 556619455 /nfs/dbraw/zinc/61/94/55/556619455.db2.gz RJETZBQSTYUEFH-SFHVURJKSA-N 0 0 446.569 2.821 40 0 IFABRN CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccc(Cl)cc2)Oc2ccccc21 ZINC000038848564 556623743 /nfs/dbraw/zinc/62/37/43/556623743.db2.gz KXUJHNVRTYODOZ-GOSISDBHSA-N 0 0 440.974 2.917 40 0 IFABRN C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 ZINC000514288940 556625044 /nfs/dbraw/zinc/62/50/44/556625044.db2.gz HCWHCAJDMCZNKO-GMAHTHKFSA-N 0 0 431.939 2.872 40 0 biogenic,in-vitro IFABRN Cc1ccccc1CSCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038853091 556625338 /nfs/dbraw/zinc/62/53/38/556625338.db2.gz QRXHXZVVSAHOTJ-FQEVSTJZSA-N 0 0 434.583 2.962 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000039985519 556632226 /nfs/dbraw/zinc/63/22/26/556632226.db2.gz IQILLFMBPLSHAL-UHFFFAOYSA-N 0 0 434.514 2.830 40 0 IFABRN CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000039986339 556632986 /nfs/dbraw/zinc/63/29/86/556632986.db2.gz LWOPXVPZJYTUGR-UHFFFAOYSA-N 0 0 426.466 2.501 40 0 IFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(F)c(F)c1)CC(=O)N2 ZINC000040390598 556637251 /nfs/dbraw/zinc/63/72/51/556637251.db2.gz YXXVEYCJSOKWTF-STQMWFEESA-N 0 0 431.443 2.882 40 0 IFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000040390503 556637275 /nfs/dbraw/zinc/63/72/75/556637275.db2.gz QAUQKLLMAGBFJF-HOCLYGCPSA-N 0 0 425.489 2.612 40 0 IFABRN COCc1nn2c(ncc3c2ccn(NC(=O)c2cccnc2)c3=O)c1-c1ccccc1 ZINC000040396513 556639060 /nfs/dbraw/zinc/63/90/60/556639060.db2.gz MBCDYJJRHXXVDG-UHFFFAOYSA-N 0 0 426.436 2.637 40 0 IFABRN O=C(NCCc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399290 556641748 /nfs/dbraw/zinc/64/17/48/556641748.db2.gz VFKXFWKRWHBABK-INIZCTEOSA-N 0 0 437.887 2.952 40 0 IFABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)cc1 ZINC000040399936 556642733 /nfs/dbraw/zinc/64/27/33/556642733.db2.gz ZTQARCLKVWLLGL-HNNXBMFYSA-N 0 0 449.467 2.904 40 0 IFABRN COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040400130 556642974 /nfs/dbraw/zinc/64/29/74/556642974.db2.gz KKQCXMNVRBLNSS-ZDUSSCGKSA-N 0 0 449.467 2.904 40 0 IFABRN COc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)c1 ZINC000040400150 556642994 /nfs/dbraw/zinc/64/29/94/556642994.db2.gz VYLZLYYMZOLZAX-AWEZNQCLSA-N 0 0 449.467 2.904 40 0 IFABRN COc1ccc([C@@H]2NC(=S)N3[C@@H](c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC ZINC000017004209 556652807 /nfs/dbraw/zinc/65/28/07/556652807.db2.gz IFSLBHIBVNZLNQ-HDICACEKSA-N 0 0 446.554 2.714 40 0 IFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2c(Cl)cccc2Cl)cc1 ZINC000017097390 556661708 /nfs/dbraw/zinc/66/17/08/556661708.db2.gz JPLZTRHOXUQPKS-UHFFFAOYSA-N 0 0 431.341 2.601 40 0 IFABRN Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000248121780 556667291 /nfs/dbraw/zinc/66/72/91/556667291.db2.gz XTNGUQKDFGDXSJ-BTMIILLNSA-N 0 0 444.524 2.968 40 0 in-vitro IFABRN Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044853011 556671173 /nfs/dbraw/zinc/67/11/73/556671173.db2.gz UQLRTJJNYVHYFN-IFXJQAMLSA-N 0 0 438.933 2.759 40 0 IFABRN COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 ZINC000044855580 556671922 /nfs/dbraw/zinc/67/19/22/556671922.db2.gz CIEPDZYIMTZULZ-OXQOHEQNSA-N 0 0 446.525 2.641 40 0 IFABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000044855720 556671981 /nfs/dbraw/zinc/67/19/81/556671981.db2.gz YRPHXOSBTONLEG-UZLBHIALSA-N 0 0 446.525 2.641 40 0 IFABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000044855722 556672196 /nfs/dbraw/zinc/67/21/96/556672196.db2.gz YRPHXOSBTONLEG-OXQOHEQNSA-N 0 0 446.525 2.641 40 0 IFABRN CC[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 ZINC000044856895 556672658 /nfs/dbraw/zinc/67/26/58/556672658.db2.gz GMWGFYDAMZESPY-JXFKEZNVSA-N 0 0 448.541 2.888 40 0 IFABRN CCc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O ZINC000044899989 556676998 /nfs/dbraw/zinc/67/69/98/556676998.db2.gz OGXRHYBSZVABIB-UHFFFAOYSA-N 0 0 426.542 2.826 40 0 IFABRN COc1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044907152 556680163 /nfs/dbraw/zinc/68/01/63/556680163.db2.gz JGLJAXVPUCSJCE-IBGZPJMESA-N 0 0 438.933 2.625 40 0 IFABRN CS(=O)(=O)N1C[C@@H](C(=O)NCCCc2ccc(F)cc2)Oc2ccc(Cl)cc21 ZINC000044906567 556680197 /nfs/dbraw/zinc/68/01/97/556680197.db2.gz BUEIEUKTEQSQIX-SFHVURJKSA-N 0 0 426.897 2.755 40 0 IFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 ZINC000044911962 556680932 /nfs/dbraw/zinc/68/09/32/556680932.db2.gz BHGHPDFCIYDVJZ-LJQANCHMSA-N 0 0 432.498 2.728 40 0 IFABRN CCOc1ccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044912742 556681252 /nfs/dbraw/zinc/68/12/52/556681252.db2.gz OHSQTFVMORBHOD-LJQANCHMSA-N 0 0 438.933 2.972 40 0 IFABRN COc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000044948878 556684118 /nfs/dbraw/zinc/68/41/18/556684118.db2.gz YCHOEOHLLUVFLX-OAHLLOKOSA-N 0 0 436.530 2.526 40 0 IFABRN CC(C)(C)c1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000018151198 556685214 /nfs/dbraw/zinc/68/52/14/556685214.db2.gz YGQNDFWVBINIJF-UHFFFAOYSA-N 0 0 446.569 2.814 40 0 IFABRN Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000018702510 556690591 /nfs/dbraw/zinc/69/05/91/556690591.db2.gz MKLNFZSQVJVHQI-UHFFFAOYSA-N 0 0 444.538 2.787 40 0 IFABRN CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)nc2C1 ZINC000019019046 556692981 /nfs/dbraw/zinc/69/29/81/556692981.db2.gz VTEUJFLRIXKZDS-OAQYLSRUSA-N 0 0 446.511 2.594 40 0 IFABRN COc1cc(C(=O)N2CCC[C@@H]([C@@H](NC(C)=O)c3ccccn3)C2)cc(OC)c1OC ZINC000019020291 556693389 /nfs/dbraw/zinc/69/33/89/556693389.db2.gz QPMHFQGZONBCRN-IIBYNOLFSA-N 0 0 427.501 2.837 40 0 IFABRN COc1ccc(CC(=O)N2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)cc1 ZINC000019022780 556694608 /nfs/dbraw/zinc/69/46/08/556694608.db2.gz GGJMRXJEXAHEDI-UHFFFAOYSA-N 0 0 436.512 2.600 40 0 IFABRN O=C(COc1ccc(Cl)cc1/C=c1\sc2ncnn2c1=O)Nc1ccc(F)cc1 ZINC000047154584 556695158 /nfs/dbraw/zinc/69/51/58/556695158.db2.gz QMOOBCBRKBVBSA-PXNMLYILSA-N 0 0 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CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)cc1 ZINC000225684788 557763253 /nfs/dbraw/zinc/76/32/53/557763253.db2.gz SMZDCRCZOXBGDD-UHFFFAOYSA-N 0 0 446.510 2.527 40 0 IFABRN CCn1c2ccc(S(=O)(=O)NCc3nc(-c4ccc(C)cc4)no3)cc2sc1=O ZINC000225699552 557766258 /nfs/dbraw/zinc/76/62/58/557766258.db2.gz KBWPTJVBLUQURX-UHFFFAOYSA-N 0 0 430.511 2.920 40 0 IFABRN CCOc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 ZINC000225725003 557769147 /nfs/dbraw/zinc/76/91/47/557769147.db2.gz JPDCXEYKDJWUEE-UHFFFAOYSA-N 0 0 430.577 2.842 40 0 IFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000225734082 557770557 /nfs/dbraw/zinc/77/05/57/557770557.db2.gz XIMGFXACGNJFFI-UHFFFAOYSA-N 0 0 446.554 2.738 40 0 IFABRN CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000225776928 557776361 /nfs/dbraw/zinc/77/63/61/557776361.db2.gz OXBVXZQJXKLLNH-SFHVURJKSA-N 0 0 429.586 2.985 40 0 IFABRN CCOC(=O)N1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 ZINC000225785615 557777867 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557798503 /nfs/dbraw/zinc/79/85/03/557798503.db2.gz VZNRVKZUEDZCBI-UHFFFAOYSA-N 0 0 444.294 2.868 40 0 IFABRN CCOC(=O)C1(c2ccc(NC(=O)Cc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 ZINC000225975541 557798528 /nfs/dbraw/zinc/79/85/28/557798528.db2.gz OZZUWWOEJQXJPY-UHFFFAOYSA-N 0 0 430.526 2.858 40 0 IFABRN CCOC(=O)C1(c2ccc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000226034944 557801959 /nfs/dbraw/zinc/80/19/59/557801959.db2.gz ZGYRNTJSAIWJNS-UHFFFAOYSA-N 0 0 430.526 2.682 40 0 IFABRN CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000226050132 557802840 /nfs/dbraw/zinc/80/28/40/557802840.db2.gz LUNZKWWLNSODBG-UHFFFAOYSA-N 0 0 438.933 2.846 40 0 IFABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)c(C)c1 ZINC000226076440 557804259 /nfs/dbraw/zinc/80/42/59/557804259.db2.gz PWRHHMHHZDCEDV-UHFFFAOYSA-N 0 0 443.569 2.679 40 0 IFABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000033450500 557808094 /nfs/dbraw/zinc/80/80/94/557808094.db2.gz IRLVKCNCQKXZMJ-HXUWFJFHSA-N 0 0 443.525 2.692 40 0 IFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000059427861 557823572 /nfs/dbraw/zinc/82/35/72/557823572.db2.gz OWLMNFBJOSFNPG-CNSVBDKNSA-N 0 0 434.517 2.812 40 0 IFABRN COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059515845 557827069 /nfs/dbraw/zinc/82/70/69/557827069.db2.gz BJKOXVXZPKKVRW-UHFFFAOYSA-N 0 0 436.530 2.680 40 0 IFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260704184 557850173 /nfs/dbraw/zinc/85/01/73/557850173.db2.gz ACTIBAYZJFQTEE-LJQANCHMSA-N 0 0 445.585 2.703 40 0 IFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000260746107 557852105 /nfs/dbraw/zinc/85/21/05/557852105.db2.gz RWSASQITQOECGM-CABCVRRESA-N 0 0 436.530 2.744 40 0 IFABRN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCNc2ccnc3cc(Cl)ccc32)C1 ZINC000260746395 557852299 /nfs/dbraw/zinc/85/22/99/557852299.db2.gz ROBZABMRXRNJPE-HNNXBMFYSA-N 0 0 438.981 2.868 40 0 IFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1nnc(SCC(C)C)s1)O2 ZINC000260746983 557852303 /nfs/dbraw/zinc/85/23/03/557852303.db2.gz ZCXCABAWFNTYAV-CQSZACIVSA-N 0 0 442.588 2.760 40 0 IFABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000260740901 557852502 /nfs/dbraw/zinc/85/25/02/557852502.db2.gz ALLZUHRFTDDIQT-CABCVRRESA-N 0 0 436.530 2.744 40 0 IFABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260757761 557853183 /nfs/dbraw/zinc/85/31/83/557853183.db2.gz RWRUWPQXEJIERZ-LJQANCHMSA-N 0 0 445.585 2.703 40 0 IFABRN C[C@H]1Cc2ccccc2N1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000260816673 557856685 /nfs/dbraw/zinc/85/66/85/557856685.db2.gz YUJVPHXJXOMRGJ-INIZCTEOSA-N 0 0 435.977 2.918 40 0 IFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2nnc(SC(C)C)s2)Oc2ccccc21 ZINC000260813161 557857284 /nfs/dbraw/zinc/85/72/84/557857284.db2.gz QBNFSMOMYUMNIR-CYBMUJFWSA-N 0 0 428.561 2.594 40 0 IFABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260800819 557857729 /nfs/dbraw/zinc/85/77/29/557857729.db2.gz YKTYQQZGAZQOIO-OAHLLOKOSA-N 0 0 436.530 2.746 40 0 IFABRN COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000260805398 557857777 /nfs/dbraw/zinc/85/77/77/557857777.db2.gz CHISVRKABSBLTB-LSDHHAIUSA-N 0 0 436.530 2.744 40 0 IFABRN COc1ccc(N([C@H](C)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1Cl ZINC000260839083 557858941 /nfs/dbraw/zinc/85/89/41/557858941.db2.gz HSPVJBPQUIJOPD-MRVPVSSYSA-N 0 0 436.968 2.715 40 0 IFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1nnc(-c3ccccc3)s1)O2 ZINC000260837089 557860258 /nfs/dbraw/zinc/86/02/58/557860258.db2.gz DBVOSWVRGLQGPD-MRXNPFEDSA-N 0 0 430.511 2.679 40 0 IFABRN CSc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000260840307 557860710 /nfs/dbraw/zinc/86/07/10/557860710.db2.gz UMGCQHVJJWAIAT-CQSZACIVSA-N 0 0 436.555 2.823 40 0 IFABRN CS(=O)(=O)N1C[C@H](C(=O)NCCc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 ZINC000260848573 557861967 /nfs/dbraw/zinc/86/19/67/557861967.db2.gz NHIZASZYGWYZKF-QGZVFWFLSA-N 0 0 429.325 2.879 40 0 IFABRN CO[C@@H]1/C=C/[C@](C)(O)[C@H](SC[C@H]([NH3+])C(=O)[O-])CC(=O)O[C@@H](C)[C@@H](C)CC/C=C/1C ZINC000253390073 560039634 /nfs/dbraw/zinc/03/96/34/560039634.db2.gz XBLHNZRXAORYAC-RYLOTMJBSA-N 0 0 429.579 2.520 40 0 biogenic,in-vitro IFABRN CCCn1cnc2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H](C(=O)OC)C2 ZINC000015706976 560096740 /nfs/dbraw/zinc/09/67/40/560096740.db2.gz ACKZYWNXSDNHGJ-HNNXBMFYSA-N 0 0 431.436 2.601 40 0 biogenic,in-vitro IFABRN CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)NC4CCCCC4)CO[C@H]23)cc1 ZINC000006131138 560205414 /nfs/dbraw/zinc/20/54/14/560205414.db2.gz WRPUVJMMJWQOFS-MTQWCTHYSA-N 0 0 431.489 2.604 40 0 biogenic,in-vitro IFABRN CC(C)OCCCn1c2nnc(CCC(=O)NCc3ccccn3)n2c2ccccc2c1=O ZINC000009831596 562977345 /nfs/dbraw/zinc/97/73/45/562977345.db2.gz ZYNHNQMUINZCCZ-UHFFFAOYSA-N 0 0 448.527 2.503 40 0 IFABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044884016 568614584 /nfs/dbraw/zinc/61/45/84/568614584.db2.gz BCHCCDFUPWQNKF-UHFFFAOYSA-N 0 0 439.921 2.730 40 0 IFABRN O=C(c1ccccc1)N1CC2(C[C@H]1COCC1CC1)CCN(C(=O)C1CC(O)C1)CC2 ZINC000585103963 568616005 /nfs/dbraw/zinc/61/60/05/568616005.db2.gz XDQDUBVXILJDPV-ORFBVSJDSA-N 0 0 426.557 2.707 40 0 IFABRN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccccn1 ZINC000585262342 568616470 /nfs/dbraw/zinc/61/64/70/568616470.db2.gz QACFIILIKZWKMN-NGSHPTGOSA-N 0 0 429.520 2.819 40 0 IFABRN COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O ZINC000260888150 568627054 /nfs/dbraw/zinc/62/70/54/568627054.db2.gz IGZZGZRWALIEHQ-GOSISDBHSA-N 0 0 434.558 2.970 40 0 IFABRN Cc1cc(C)cc(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)c1 ZINC000260899532 568627973 /nfs/dbraw/zinc/62/79/73/568627973.db2.gz LSYVIZITHRPXDA-IBGZPJMESA-N 0 0 432.542 2.806 40 0 IFABRN CCOc1ccc(N([C@H](CC)C(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 ZINC000260901657 568628053 /nfs/dbraw/zinc/62/80/53/568628053.db2.gz 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MQBAGABVCVCILT-CQSZACIVSA-N 0 0 441.919 2.768 40 0 IFABRN CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)COc2c(C)cccc2C)cc(N(C)C)n1 ZINC000019760299 569237483 /nfs/dbraw/zinc/23/74/83/569237483.db2.gz FCMKAIIVXDIUGE-HXUWFJFHSA-N 0 0 439.560 2.880 40 0 IFABRN CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000019760861 569237725 /nfs/dbraw/zinc/23/77/25/569237725.db2.gz SKVCVRHMVNDRSU-FQEVSTJZSA-N 0 0 445.589 2.664 40 0 IFABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2ncc(C(=O)N3CCCCC3)c(C)n2)C1 ZINC000019763293 569237917 /nfs/dbraw/zinc/23/79/17/569237917.db2.gz ZAQDEOLWDLQNJM-KRWDZBQOSA-N 0 0 447.561 2.584 40 0 IFABRN COc1cc2c(cc(C(=O)N3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)n2C)c(OC)c1 ZINC000019764569 569238477 /nfs/dbraw/zinc/23/84/77/569238477.db2.gz BSHWTHHCDRCFML-KRWDZBQOSA-N 0 0 437.500 2.760 40 0 IFABRN COc1ccc(C2(C(=O)N3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)CCOCC2)cc1 ZINC000019764537 569238566 /nfs/dbraw/zinc/23/85/66/569238566.db2.gz QVTKAJNNYOJKMQ-FQEVSTJZSA-N 0 0 438.528 2.695 40 0 IFABRN 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569241887 /nfs/dbraw/zinc/24/18/87/569241887.db2.gz IECDZMBEPIDDDL-AWEZNQCLSA-N 0 0 442.855 2.911 40 0 IFABRN CCN(c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000026111483 569242181 /nfs/dbraw/zinc/24/21/81/569242181.db2.gz JMIYUVRFRQQZFH-JXMROGBWSA-N 0 0 427.570 2.944 40 0 IFABRN CCN1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)CC1 ZINC000026120471 569242670 /nfs/dbraw/zinc/24/26/70/569242670.db2.gz BQNXEMRSFBKNKX-UHFFFAOYSA-N 0 0 425.620 2.751 40 0 IFABRN CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000028209978 569242950 /nfs/dbraw/zinc/24/29/50/569242950.db2.gz WVGOMXHKCJHHMW-SFHVURJKSA-N 0 0 432.498 2.721 40 0 IFABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1C ZINC000028209994 569242958 /nfs/dbraw/zinc/24/29/58/569242958.db2.gz NTHOSLTUWGYRQD-KRWDZBQOSA-N 0 0 432.498 2.639 40 0 IFABRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Br)c(OCC#N)c(OC)c1 ZINC000033403889 569243801 /nfs/dbraw/zinc/24/38/01/569243801.db2.gz PLHIVHTYMFQAEM-CQSZACIVSA-N 0 0 440.319 2.716 40 0 IFABRN CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 ZINC000033518447 569244433 /nfs/dbraw/zinc/24/44/33/569244433.db2.gz KUVZSGRJHYUUNJ-UHFFFAOYSA-N 0 0 433.530 2.905 40 0 IFABRN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1NC(=O)c1ccccc1 ZINC000033741614 569246424 /nfs/dbraw/zinc/24/64/24/569246424.db2.gz CXSYJTGRDASDDG-UHFFFAOYSA-N 0 0 425.466 2.847 40 0 IFABRN C=CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] ZINC000033740972 569246463 /nfs/dbraw/zinc/24/64/63/569246463.db2.gz AQQBMKCUXILNCJ-UVTDQMKNSA-N 0 0 427.369 2.632 40 0 IFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OC(C)=O)c(OC)c3)C2=O)o1 ZINC000034835359 569247787 /nfs/dbraw/zinc/24/77/87/569247787.db2.gz GWCZJVXHDCPICS-AUWJEWJLSA-N 0 0 448.815 2.746 40 0 IFABRN CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000038199958 569248792 /nfs/dbraw/zinc/24/87/92/569248792.db2.gz SWZVFPHIRMLWSN-MRXNPFEDSA-N 0 0 441.875 2.932 40 0 IFABRN 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COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000015440105 523993238 /nfs/dbraw/zinc/99/32/38/523993238.db2.gz LRIOSWOZIBXAFN-UHFFFAOYSA-N 0 0 426.922 2.636 40 0 IFABRN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 ZINC000013361637 523999001 /nfs/dbraw/zinc/99/90/01/523999001.db2.gz CVQRHMLKWFJPEG-AIELTSAVSA-N 0 0 448.544 2.982 40 0 IFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 ZINC000012476555 524155112 /nfs/dbraw/zinc/15/51/12/524155112.db2.gz SGXZZQFEVWPVTI-QMMMGPOBSA-N 0 0 441.916 2.567 40 0 IFABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 ZINC000012236872 524186603 /nfs/dbraw/zinc/18/66/03/524186603.db2.gz AFZCQWCTPQWRQO-IRXDYDNUSA-N 0 0 436.560 2.579 40 0 IFABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 ZINC000012891041 524245035 /nfs/dbraw/zinc/24/50/35/524245035.db2.gz ODIVOGBZXBNPLY-QRFHQATISA-N 0 0 446.503 2.839 40 0 IFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000016321523 524248291 /nfs/dbraw/zinc/24/82/91/524248291.db2.gz SOGWKKRUPBOUIN-UHFFFAOYSA-N 0 0 425.894 2.566 40 0 IFABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 ZINC000012236864 524275964 /nfs/dbraw/zinc/27/59/64/524275964.db2.gz AFZCQWCTPQWRQO-IAGOWNOFSA-N 0 0 436.560 2.579 40 0 IFABRN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1 ZINC000016188329 524490763 /nfs/dbraw/zinc/49/07/63/524490763.db2.gz CUCXZTJIWXGSJD-UHFFFAOYSA-N 0 0 428.894 2.625 40 0 IFABRN COc1ccccc1N1CC[NH+](CC[C@H]2CN(C(=O)NC(C)C)CC[C@H]2CC(=O)[O-])CC1 ZINC000012481541 524553489 /nfs/dbraw/zinc/55/34/89/524553489.db2.gz USSRMIKINLEDKW-PMACEKPBSA-N 0 0 446.592 2.738 40 0 biogenic,in-vitro IFABRN COc1ccccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3C1=O ZINC000012896687 524580997 /nfs/dbraw/zinc/58/09/97/524580997.db2.gz IKGLSQKPYQOTPN-JTKRFKOTSA-N 0 0 443.503 2.822 40 0 IFABRN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)c(OC)c1 ZINC000022229929 524595989 /nfs/dbraw/zinc/59/59/89/524595989.db2.gz ZYXBYFAVYVMZCH-SFHVURJKSA-N 0 0 434.514 2.813 40 0 IFABRN COc1ccc(NC(=O)c2cnc([C@@H]3CCCN(C(=O)c4cnccn4)C3)nc2C)cc1 ZINC000019765111 524650913 /nfs/dbraw/zinc/65/09/13/524650913.db2.gz ACMHROWSKMSOOT-MRXNPFEDSA-N 0 0 432.484 2.856 40 0 IFABRN COc1ccccc1O[C@H](C)C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012219678 524690401 /nfs/dbraw/zinc/69/04/01/524690401.db2.gz MUJRPAYDKQNJFB-OAHLLOKOSA-N 0 0 435.484 2.821 40 0 IFABRN COc1ccc(OC)c(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000022333815 524840985 /nfs/dbraw/zinc/84/09/85/524840985.db2.gz SDAKBXRVYQETIF-UHFFFAOYSA-N 0 0 440.949 2.872 40 0 IFABRN COc1ccc(OC)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000020455973 524864378 /nfs/dbraw/zinc/86/43/78/524864378.db2.gz GKLGLTBPUUBJTI-QGZVFWFLSA-N 0 0 426.878 2.523 40 0 IFABRN Cc1cc(Cl)ccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000022228982 524890906 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IFABRN CS(=O)(=O)N1CCc2cc(C(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)ccc21 ZINC000012155674 525185218 /nfs/dbraw/zinc/18/52/18/525185218.db2.gz LRQOXPPRMAUJQI-UHFFFAOYSA-N 0 0 428.510 2.937 40 0 IFABRN Cc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022229399 525229283 /nfs/dbraw/zinc/22/92/83/525229283.db2.gz DECNLYRBFDZHPP-UHFFFAOYSA-N 0 0 443.569 2.903 40 0 IFABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000020457503 525312974 /nfs/dbraw/zinc/31/29/74/525312974.db2.gz WPAKOZXWMWYXNT-INIZCTEOSA-N 0 0 448.541 2.524 40 0 IFABRN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4ncccc4c3)CC1)NS2(=O)=O ZINC000012142601 525550984 /nfs/dbraw/zinc/55/09/84/525550984.db2.gz OAHCKPUWZCDAOV-UHFFFAOYSA-N 0 0 438.509 2.580 40 0 IFABRN COc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)CC(C)(C)O2 ZINC000022362712 525587024 /nfs/dbraw/zinc/58/70/24/525587024.db2.gz DZSRKSDVBIUTKX-QGZVFWFLSA-N 0 0 448.541 2.888 40 0 IFABRN Cc1ccnn1CCC(=O)N[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)C(C)C ZINC000012182904 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COc1ccc(N(CC(=O)Nc2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1Cl ZINC000408601525 555969862 /nfs/dbraw/zinc/96/98/62/555969862.db2.gz AHGLPHVLXXSVRK-UHFFFAOYSA-N 0 0 425.894 2.712 40 0 IFABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000408602060 555970943 /nfs/dbraw/zinc/97/09/43/555970943.db2.gz HPHVTCLFGCOWMG-KRWDZBQOSA-N 0 0 449.548 2.629 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)N1CCCC1 ZINC000408603426 555972653 /nfs/dbraw/zinc/97/26/53/555972653.db2.gz JUIICIZKOIJHAR-UHFFFAOYSA-N 0 0 431.533 2.881 40 0 IFABRN O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408604289 555974142 /nfs/dbraw/zinc/97/41/42/555974142.db2.gz LUUAQNOZLXXNFS-FQEVSTJZSA-N 0 0 438.505 2.621 40 0 IFABRN COc1ccccc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408611267 555976782 /nfs/dbraw/zinc/97/67/82/555976782.db2.gz STJSDOGQYRBBPP-UHFFFAOYSA-N 0 0 442.541 2.602 40 0 IFABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 ZINC000408612740 555978044 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ZINC000040400029 556643010 /nfs/dbraw/zinc/64/30/10/556643010.db2.gz DDIICPUAQRBGFT-CYBMUJFWSA-N 0 0 449.467 2.985 40 0 IFABRN O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000016941414 556649591 /nfs/dbraw/zinc/64/95/91/556649591.db2.gz FUHORYXMCREXLF-QPJJXVBHSA-N 0 0 437.559 2.967 40 0 IFABRN CCCOc1ccccc1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000044851651 556670704 /nfs/dbraw/zinc/67/07/04/556670704.db2.gz RPPOBGAZJBTSKF-NRFANRHFSA-N 0 0 432.542 2.751 40 0 IFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000017298717 556674863 /nfs/dbraw/zinc/67/48/63/556674863.db2.gz OSTPHVRNZZPXFS-UHFFFAOYSA-N 0 0 436.505 2.560 40 0 IFABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCOCC1 ZINC000044885951 556675610 /nfs/dbraw/zinc/67/56/10/556675610.db2.gz HZAUCHDHROKZCP-QGZVFWFLSA-N 0 0 432.542 2.824 40 0 IFABRN Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000044899764 556676412 /nfs/dbraw/zinc/67/64/12/556676412.db2.gz ZYOQPYJWRAUYSJ-UHFFFAOYSA-N 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Cc1sc2ncn(CC3(O)CCN(C(=O)c4cccc(N(C)C)c4)CC3)c(=O)c2c1C ZINC000019561395 556802777 /nfs/dbraw/zinc/80/27/77/556802777.db2.gz OXBVLZKJPBJQKD-UHFFFAOYSA-N 0 0 440.569 2.808 40 0 IFABRN COc1cccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1OC ZINC000019567272 556807491 /nfs/dbraw/zinc/80/74/91/556807491.db2.gz RXXMVHIVLHKGAG-UHFFFAOYSA-N 0 0 426.498 2.930 40 0 IFABRN COc1cc(C)c(CN2CCN(S(=O)(=O)c3c[nH]nc3-c3ccncc3)CC2)cc1C ZINC000019567364 556807544 /nfs/dbraw/zinc/80/75/44/556807544.db2.gz YXXZMCYZIGQLJY-UHFFFAOYSA-N 0 0 441.557 2.604 40 0 IFABRN Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[nH]c(C)n1 ZINC000019572208 556812535 /nfs/dbraw/zinc/81/25/35/556812535.db2.gz LTCKCHCCUFDREV-LJQANCHMSA-N 0 0 431.496 2.589 40 0 IFABRN COc1cccc(-c2noc([C@@H]3CN(C(=O)CCCn4nc(C)cc4C)CCO3)n2)c1 ZINC000019574100 556814209 /nfs/dbraw/zinc/81/42/09/556814209.db2.gz ZQQMGYJWNJTMRD-IBGZPJMESA-N 0 0 425.489 2.939 40 0 IFABRN Cc1n[nH]c(C)c1CC(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 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/nfs/dbraw/zinc/82/43/20/556824320.db2.gz UNPSUWBGBAYNQY-JOCHJYFZSA-N 0 0 425.504 2.602 40 0 IFABRN CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1cccc(F)c1 ZINC000096521140 556824938 /nfs/dbraw/zinc/82/49/38/556824938.db2.gz DBWUSOPXQADLMA-VHSXEESVSA-N 0 0 437.068 2.778 40 0 IFABRN CN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)CCn1c2ccccc2oc1=O ZINC000019590961 556825392 /nfs/dbraw/zinc/82/53/92/556825392.db2.gz HJJVFFQIALZUPU-JOCHJYFZSA-N 0 0 443.463 2.897 40 0 IFABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000019591177 556825968 /nfs/dbraw/zinc/82/59/68/556825968.db2.gz SHJAKPMDLUYFLX-QHCPKHFHSA-N 0 0 436.537 2.710 40 0 IFABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2nnc(N)s2)C1 ZINC000019591536 556827116 /nfs/dbraw/zinc/82/71/16/556827116.db2.gz KFWYCJYHQJIYHO-HSZRJFAPSA-N 0 0 435.553 2.537 40 0 IFABRN COc1cc2cc(CN(CCCO)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1OC ZINC000006239388 556830525 /nfs/dbraw/zinc/83/05/25/556830525.db2.gz BHPFOWACACUYPU-UHFFFAOYSA-N 0 0 441.553 2.804 40 0 IFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)N2CCCC2)cc1 ZINC000006239833 556830533 /nfs/dbraw/zinc/83/05/33/556830533.db2.gz MJGCBUCBNWZCJX-JOCHJYFZSA-N 0 0 446.511 2.765 40 0 IFABRN COc1cc2cc(CN(CCO)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2cc1OC ZINC000006283213 556831703 /nfs/dbraw/zinc/83/17/03/556831703.db2.gz LJWVCHMZICXNFI-OAHLLOKOSA-N 0 0 441.553 2.975 40 0 IFABRN COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC ZINC000065086250 556832163 /nfs/dbraw/zinc/83/21/63/556832163.db2.gz WDSDNKXQLGMCAV-UHFFFAOYSA-N 0 0 432.542 2.851 40 0 IFABRN CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000006320682 556832705 /nfs/dbraw/zinc/83/27/05/556832705.db2.gz IYFFCKMMAWSHDN-UHFFFAOYSA-N 0 0 442.537 2.921 40 0 IFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)N1CCCC1)OCCO3 ZINC000006445219 556833466 /nfs/dbraw/zinc/83/34/66/556833466.db2.gz CBFCJGUFYOBPTM-OAQYLSRUSA-N 0 0 436.516 2.976 40 0 IFABRN O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)C(=S)NCc1ccco1)OCO3 ZINC000006445916 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CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccco2)Oc2ccc(Cl)cc21 ZINC000038852135 556625070 /nfs/dbraw/zinc/62/50/70/556625070.db2.gz IOMXSNQRYFLWAT-MRXNPFEDSA-N 0 0 430.935 2.510 40 0 IFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000038855649 556625707 /nfs/dbraw/zinc/62/57/07/556625707.db2.gz WDFONURMDMOLRD-QRWLVFNGSA-N 0 0 445.541 2.689 40 0 IFABRN CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000514289399 556625811 /nfs/dbraw/zinc/62/58/11/556625811.db2.gz KCMUUVKYKQDSHF-IRLDBZIGSA-N 0 0 435.505 2.655 40 0 biogenic,in-vitro IFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2OC)cc1Cl ZINC000016692549 556627609 /nfs/dbraw/zinc/62/76/09/556627609.db2.gz FYBMIBWCFNMEAA-UHFFFAOYSA-N 0 0 426.922 2.684 40 0 IFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC)cc2)cc1Cl ZINC000016692538 556627660 /nfs/dbraw/zinc/62/76/60/556627660.db2.gz YHZAQEFYNRYVMQ-UHFFFAOYSA-N 0 0 426.922 2.684 40 0 IFABRN CCN1CCN(C(=O)c2nnc3c(-c4ccc(Cl)cc4)c(COC)nn3c2C)CC1 ZINC000039963912 556630699 /nfs/dbraw/zinc/63/06/99/556630699.db2.gz VHZDTYBKBCDNOQ-UHFFFAOYSA-N 0 0 428.924 2.677 40 0 IFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCc2ccc(OC)cc2)cc1C ZINC000039986233 556632659 /nfs/dbraw/zinc/63/26/59/556632659.db2.gz BEZSZVIBQGLFNE-UHFFFAOYSA-N 0 0 434.558 2.772 40 0 IFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2C(=O)OC)cc1C ZINC000039986200 556632729 /nfs/dbraw/zinc/63/27/29/556632729.db2.gz PYJLMYXQKNQMMS-UHFFFAOYSA-N 0 0 434.514 2.830 40 0 IFABRN COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[nH]c(=O)c21 ZINC000040388705 556636549 /nfs/dbraw/zinc/63/65/49/556636549.db2.gz BSYQFDZSVVEYNE-ZNMIVQPWSA-N 0 0 439.516 2.634 40 0 IFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000040390477 556637397 /nfs/dbraw/zinc/63/73/97/556637397.db2.gz QEJGZXVOGCBZPE-ZBFHGGJFSA-N 0 0 425.489 2.612 40 0 IFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 ZINC000040390661 556637481 /nfs/dbraw/zinc/63/74/81/556637481.db2.gz WNHOVOOWMZLAPO-SFHVURJKSA-N 0 0 429.480 2.706 40 0 IFABRN Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000040390697 556637544 /nfs/dbraw/zinc/63/75/44/556637544.db2.gz LNSSXFPWNHAHNJ-KRWDZBQOSA-N 0 0 429.480 2.706 40 0 IFABRN CCc1nn2c(nnc3c2ccn(NC(=O)c2cccnc2)c3=O)c1-c1ccc(F)cc1 ZINC000040391811 556638121 /nfs/dbraw/zinc/63/81/21/556638121.db2.gz YUIXUNGMRCDRHA-UHFFFAOYSA-N 0 0 429.415 2.587 40 0 IFABRN CCc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N ZINC000016756192 556639230 /nfs/dbraw/zinc/63/92/30/556639230.db2.gz DSGKCSWVMXXEBG-UHFFFAOYSA-N 0 0 443.529 2.978 40 0 IFABRN COc1ccccc1-c1c2c(ccn(Cc3cccc4c3OCO4)c2=O)nc2ncnn21 ZINC000040398195 556640012 /nfs/dbraw/zinc/64/00/12/556640012.db2.gz WMRCKJWSROVJRZ-UHFFFAOYSA-N 0 0 427.420 2.892 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 ZINC000040399188 556641513 /nfs/dbraw/zinc/64/15/13/556641513.db2.gz HKIVNCHJMJXCOK-INIZCTEOSA-N 0 0 447.451 2.755 40 0 IFABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[nH]c(=O)c21 ZINC000040400031 556642985 /nfs/dbraw/zinc/64/29/85/556642985.db2.gz DDIICPUAQRBGFT-ZDUSSCGKSA-N 0 0 449.467 2.985 40 0 IFABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000044839753 556668403 /nfs/dbraw/zinc/66/84/03/556668403.db2.gz MJBPFNKGQHPAGK-FQEVSTJZSA-N 0 0 434.514 2.512 40 0 IFABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 ZINC000044841667 556668699 /nfs/dbraw/zinc/66/86/99/556668699.db2.gz UVIWLQJXVSDEQE-UHFFFAOYSA-N 0 0 433.530 2.732 40 0 IFABRN C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000044847202 556669632 /nfs/dbraw/zinc/66/96/32/556669632.db2.gz PAELHEOOTGCEQT-DNVCBOLYSA-N 0 0 430.526 2.806 40 0 IFABRN Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044853009 556671059 /nfs/dbraw/zinc/67/10/59/556671059.db2.gz UQLRTJJNYVHYFN-AUUYWEPGSA-N 0 0 438.933 2.759 40 0 IFABRN Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044853007 556671136 /nfs/dbraw/zinc/67/11/36/556671136.db2.gz UQLRTJJNYVHYFN-LIRRHRJNSA-N 0 0 438.933 2.759 40 0 IFABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 ZINC000044855577 556672011 /nfs/dbraw/zinc/67/20/11/556672011.db2.gz CIEPDZYIMTZULZ-JXFKEZNVSA-N 0 0 446.525 2.641 40 0 IFABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 ZINC000044855579 556672025 /nfs/dbraw/zinc/67/20/25/556672025.db2.gz CIEPDZYIMTZULZ-OXJNMPFZSA-N 0 0 446.525 2.641 40 0 IFABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000044883272 556674497 /nfs/dbraw/zinc/67/44/97/556674497.db2.gz BIKSPIDNPCDJNJ-QGZVFWFLSA-N 0 0 426.542 2.960 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3OC)CC2)cc1 ZINC000017970419 556680662 /nfs/dbraw/zinc/68/06/62/556680662.db2.gz RUWPCVUEQXFYDP-MRXNPFEDSA-N 0 0 432.542 2.982 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044939297 556683334 /nfs/dbraw/zinc/68/33/34/556683334.db2.gz ODPZSSNEKLRSAM-UHFFFAOYSA-N 0 0 440.525 2.977 40 0 IFABRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 ZINC000018088607 556683640 /nfs/dbraw/zinc/68/36/40/556683640.db2.gz WLMATAYCEIZJBZ-UHFFFAOYSA-N 0 0 438.347 2.638 40 0 IFABRN COc1ccc(CNC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1OC ZINC000044947175 556683789 /nfs/dbraw/zinc/68/37/89/556683789.db2.gz DXJGKGLZKVVVCP-UHFFFAOYSA-N 0 0 428.510 2.939 40 0 IFABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000135979051 556688486 /nfs/dbraw/zinc/68/84/86/556688486.db2.gz BJUDTNWKMRPVDS-WJMWBRGCSA-N 0 0 436.556 2.503 40 0 IFABRN O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CCCCC1)C2 ZINC000019014705 556691752 /nfs/dbraw/zinc/69/17/52/556691752.db2.gz NMPHDPHLWQKNGM-PMACEKPBSA-N 0 0 442.560 2.880 40 0 IFABRN COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)=O)C3)cc1 ZINC000019018928 556693041 /nfs/dbraw/zinc/69/30/41/556693041.db2.gz TVGDYXRJVCWYGI-NRFANRHFSA-N 0 0 438.528 2.782 40 0 IFABRN COc1cc(C(=O)N2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC ZINC000019020408 556693325 /nfs/dbraw/zinc/69/33/25/556693325.db2.gz PCNSCBIKJQIQCU-OAQYLSRUSA-N 0 0 427.501 2.837 40 0 IFABRN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000000810784 556698081 /nfs/dbraw/zinc/69/80/81/556698081.db2.gz QAMPBVTUAVXOBP-UHFFFAOYSA-N 0 0 431.297 2.805 40 0 IFABRN CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)N2CCC(O)CC2)CC1 ZINC000019085161 556698757 /nfs/dbraw/zinc/69/87/57/556698757.db2.gz ZJNJCOHGHXNFKM-NRFANRHFSA-N 0 0 441.572 2.818 40 0 IFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(NC3CC3)ncc2-c2cc(C)no2)cc1 ZINC000019123558 556702149 /nfs/dbraw/zinc/70/21/49/556702149.db2.gz IYCBXFVIWBHIJW-UHFFFAOYSA-N 0 0 429.502 2.844 40 0 IFABRN Cc1cc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccc(N3CCOCC3)nc2)on1 ZINC000019123962 556702516 /nfs/dbraw/zinc/70/25/16/556702516.db2.gz AXYVHQPQIQJNCC-CALCHBBNSA-N 0 0 436.516 2.952 40 0 IFABRN Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)cc1 ZINC000019135702 556706181 /nfs/dbraw/zinc/70/61/81/556706181.db2.gz RPPHNTCDRIWCSO-APWZRJJASA-N 0 0 434.540 2.905 40 0 IFABRN Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)c4cnc(C)cn4)CCO3)c2)cc1 ZINC000019212770 556710564 /nfs/dbraw/zinc/71/05/64/556710564.db2.gz KJMKJRWMWYZFHI-RUZDIDTESA-N 0 0 430.508 2.700 40 0 IFABRN Cc1cccc(CC(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019234813 556719420 /nfs/dbraw/zinc/71/94/20/556719420.db2.gz GNXDHVBZSIRFLK-SFTDATJTSA-N 0 0 435.572 2.695 40 0 IFABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCn2nccc2C)C1 ZINC000019238395 556723330 /nfs/dbraw/zinc/72/33/30/556723330.db2.gz DCUPYVUDPCBKNG-RUZDIDTESA-N 0 0 431.540 2.851 40 0 IFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2)cc1 ZINC000000871757 556726868 /nfs/dbraw/zinc/72/68/68/556726868.db2.gz OIMNDIQUOJUMOQ-UHFFFAOYSA-N 0 0 425.510 2.598 40 0 IFABRN Cc1nc(C)n(CC(=O)N2CCC[C@@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)n1 ZINC000019285713 556727469 /nfs/dbraw/zinc/72/74/69/556727469.db2.gz OGHWHAWGRXHILO-QHCPKHFHSA-N 0 0 437.569 2.960 40 0 IFABRN Cc1nc(C)n(C[C@H](C)C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)n1 ZINC000019285825 556727482 /nfs/dbraw/zinc/72/74/82/556727482.db2.gz MDORKMJVMPHYQD-AWEZNQCLSA-N 0 0 440.573 2.824 40 0 IFABRN Cc1nc2c(c(NC[C@@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)N1S(=O)(=O)c1cccc(F)c1 ZINC000019286258 556727755 /nfs/dbraw/zinc/72/77/55/556727755.db2.gz RLMYOHIUOQRSMB-TXPKVOOTSA-N 0 0 432.521 2.966 40 0 IFABRN COc1ccc2c(c1)OC1(CCN(C(=O)c3nn(C)c(=O)c4ccccc43)CC1)CC2=O ZINC000019288466 556728566 /nfs/dbraw/zinc/72/85/66/556728566.db2.gz JUEAQMCIAJNDKQ-UHFFFAOYSA-N 0 0 433.464 2.582 40 0 IFABRN COc1ccc(OC)c([C@H](C)NC(=O)Cn2nc(C)n3c(cc4ccsc43)c2=O)c1 ZINC000019288300 556728606 /nfs/dbraw/zinc/72/86/06/556728606.db2.gz XGDLJISXGKGXFH-LBPRGKRZSA-N 0 0 426.498 2.914 40 0 IFABRN CN(C)c1cc(C2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)nc(-c2cnccn2)n1 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C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220449167 557295908 /nfs/dbraw/zinc/29/59/08/557295908.db2.gz SVYDSWXHUTVRRN-AWEZNQCLSA-N 0 0 441.475 2.607 40 0 IFABRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000220457616 557296282 /nfs/dbraw/zinc/29/62/82/557296282.db2.gz WHICAWXBPDINQY-CQSZACIVSA-N 0 0 426.485 2.877 40 0 IFABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1 ZINC000220491635 557297675 /nfs/dbraw/zinc/29/76/75/557297675.db2.gz XLIHYAGLNOSBSV-HNNXBMFYSA-N 0 0 446.504 2.997 40 0 IFABRN CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220503796 557297996 /nfs/dbraw/zinc/29/79/96/557297996.db2.gz IATZOMZEQMREIR-QFIPXVFZSA-N 0 0 429.586 2.884 40 0 IFABRN CC[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220526745 557299010 /nfs/dbraw/zinc/29/90/10/557299010.db2.gz ZASPJAQVOCEUSU-GOSISDBHSA-N 0 0 428.514 2.906 40 0 IFABRN CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220614492 557302873 /nfs/dbraw/zinc/30/28/73/557302873.db2.gz RFRHKWVSXAHDEF-NRFANRHFSA-N 0 0 431.558 2.589 40 0 IFABRN CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220618509 557303154 /nfs/dbraw/zinc/30/31/54/557303154.db2.gz OYRMSIPRNQYOFP-SFHVURJKSA-N 0 0 426.560 2.882 40 0 IFABRN CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220644401 557303972 /nfs/dbraw/zinc/30/39/72/557303972.db2.gz RCHQXKDPBLPSKO-QFIPXVFZSA-N 0 0 445.585 2.584 40 0 IFABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220647774 557304349 /nfs/dbraw/zinc/30/43/49/557304349.db2.gz MUMQJSHQBMJFLN-IBGZPJMESA-N 0 0 434.514 2.974 40 0 IFABRN CCOc1ccc(N([C@H](CC)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000220666723 557305058 /nfs/dbraw/zinc/30/50/58/557305058.db2.gz ZDSKPWMHEYAUOD-JOCHJYFZSA-N 0 0 445.585 2.979 40 0 IFABRN CCOc1ccc(N([C@@H](CC)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000220678213 557305905 /nfs/dbraw/zinc/30/59/05/557305905.db2.gz XMDRUPGIQVQWQT-NRFANRHFSA-N 0 0 433.574 2.883 40 0 IFABRN CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 ZINC000220715883 557309244 /nfs/dbraw/zinc/30/92/44/557309244.db2.gz POGCGHNLWGWRQO-QGZVFWFLSA-N 0 0 444.981 2.995 40 0 IFABRN CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220751147 557311696 /nfs/dbraw/zinc/31/16/96/557311696.db2.gz ZFCSCSOLUJGTSX-MRXNPFEDSA-N 0 0 439.921 2.631 40 0 IFABRN CCN1CCN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000023410377 557315464 /nfs/dbraw/zinc/31/54/64/557315464.db2.gz TZAZCLIYXVCATO-UHFFFAOYSA-N 0 0 429.586 2.971 40 0 IFABRN COCCN1C(=O)[C@H]2[C@H]3C=Cc4ccc5cccnc5c4N3[C@@H](C(=O)C(C)(C)C)[C@@H]2C1=O ZINC000103461555 557315697 /nfs/dbraw/zinc/31/56/97/557315697.db2.gz HJLLEAXAUCBGJM-BMQTXXJKSA-N 0 0 433.508 2.682 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1 ZINC000023652481 557316464 /nfs/dbraw/zinc/31/64/64/557316464.db2.gz DOVCROPECRISGW-UHFFFAOYSA-N 0 0 432.542 2.811 40 0 IFABRN 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441.539 2.543 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cc1 ZINC000107271919 557336283 /nfs/dbraw/zinc/33/62/83/557336283.db2.gz CNJZDKGJBSXVDW-UCNVEGJOSA-N 0 0 429.542 2.977 40 0 IFABRN Cc1cc(C)cc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1 ZINC000013501950 557336934 /nfs/dbraw/zinc/33/69/34/557336934.db2.gz FXWBDBWPYNOJAH-SFHVURJKSA-N 0 0 444.557 2.807 40 0 IFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222388543 557337563 /nfs/dbraw/zinc/33/75/63/557337563.db2.gz YUPIRBBIFSWKRP-LJQANCHMSA-N 0 0 445.585 2.705 40 0 IFABRN CCN(c1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1)S(=O)(=O)CC ZINC000222391399 557337785 /nfs/dbraw/zinc/33/77/85/557337785.db2.gz PMABTRJDNHBUIF-UHFFFAOYSA-N 0 0 431.558 2.834 40 0 IFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222412201 557338950 /nfs/dbraw/zinc/33/89/50/557338950.db2.gz SSOKEBAJRXYCTB-IBGZPJMESA-N 0 0 445.585 2.541 40 0 IFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222412430 557339052 /nfs/dbraw/zinc/33/90/52/557339052.db2.gz LLDGCMPPJCGNHM-LJQANCHMSA-N 0 0 445.585 2.541 40 0 IFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222433371 557339766 /nfs/dbraw/zinc/33/97/66/557339766.db2.gz BXXUAICZIKPPTF-LJQANCHMSA-N 0 0 445.585 2.705 40 0 IFABRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)c(C)c2)no1 ZINC000013505884 557340174 /nfs/dbraw/zinc/34/01/74/557340174.db2.gz NDTSCOGMFVKAKQ-IBGZPJMESA-N 0 0 442.516 2.647 40 0 IFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222462378 557341194 /nfs/dbraw/zinc/34/11/94/557341194.db2.gz ZPBITAYGEQOORQ-LJQANCHMSA-N 0 0 445.585 2.541 40 0 IFABRN CCOC(=O)CNC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 ZINC000013565043 557341741 /nfs/dbraw/zinc/34/17/41/557341741.db2.gz BJVLSQLKDREENF-UHFFFAOYSA-N 0 0 429.448 2.816 40 0 IFABRN COc1ccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c(OC)c1OC ZINC000222499578 557344902 /nfs/dbraw/zinc/34/49/02/557344902.db2.gz PBYSGZSEKDLHIH-UHFFFAOYSA-N 0 0 442.921 2.692 40 0 IFABRN O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000013548346 557350584 /nfs/dbraw/zinc/35/05/84/557350584.db2.gz KQJNAGFUOFNHFR-ZGXDEKTJSA-N 0 0 427.504 2.809 40 0 IFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)c(Cl)c2)cc1 ZINC000044802844 557352186 /nfs/dbraw/zinc/35/21/86/557352186.db2.gz UZHSWDOEOIXKNN-UHFFFAOYSA-N 0 0 435.977 2.926 40 0 IFABRN Cc1cccc(-c2noc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)n2)c1 ZINC000222563225 557352848 /nfs/dbraw/zinc/35/28/48/557352848.db2.gz PTBRIZJOVRQPQR-UHFFFAOYSA-N 0 0 426.498 2.905 40 0 IFABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000222563879 557353078 /nfs/dbraw/zinc/35/30/78/557353078.db2.gz OIPSOPBMBBUCHG-UHFFFAOYSA-N 0 0 426.498 2.939 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1OC ZINC000222573800 557354517 /nfs/dbraw/zinc/35/45/17/557354517.db2.gz AVCMHHRHAQCMRR-OAHLLOKOSA-N 0 0 436.505 2.907 40 0 IFABRN Cc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1N1CCCCS1(=O)=O ZINC000222577831 557355275 /nfs/dbraw/zinc/35/52/75/557355275.db2.gz XGAGSLNQCRALAU-UHFFFAOYSA-N 0 0 426.498 2.905 40 0 IFABRN COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 ZINC000222579974 557355550 /nfs/dbraw/zinc/35/55/50/557355550.db2.gz CWQCAYSAOKBKFU-UHFFFAOYSA-N 0 0 434.514 2.975 40 0 IFABRN COC(=O)c1cn(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c2ccccc12 ZINC000222582756 557355999 /nfs/dbraw/zinc/35/59/99/557355999.db2.gz AZDINNJDIHMPEQ-UHFFFAOYSA-N 0 0 430.482 2.851 40 0 IFABRN COc1cccc(N(CCCC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)c1 ZINC000222594527 557358290 /nfs/dbraw/zinc/35/82/90/557358290.db2.gz VDMUVQQMXMYYNU-UHFFFAOYSA-N 0 0 434.558 2.999 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000047157144 557365923 /nfs/dbraw/zinc/36/59/23/557365923.db2.gz BLCQKDGYEPTSHA-UHFFFAOYSA-N 0 0 432.498 2.893 40 0 IFABRN 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557376654 /nfs/dbraw/zinc/37/66/54/557376654.db2.gz GPKZLRBWRQUCDW-AWEZNQCLSA-N 0 0 432.498 2.633 40 0 IFABRN COc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000113938685 557379431 /nfs/dbraw/zinc/37/94/31/557379431.db2.gz PCCSMUUKJZPUOG-QFIPXVFZSA-N 0 0 438.505 2.968 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccc(OC(C)C)c1 ZINC000113942391 557380136 /nfs/dbraw/zinc/38/01/36/557380136.db2.gz CUDALPRVQGVVSG-UHFFFAOYSA-N 0 0 432.542 2.733 40 0 IFABRN CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000113944967 557380385 /nfs/dbraw/zinc/38/03/85/557380385.db2.gz DTTVSIJWTBHQHI-SFHVURJKSA-N 0 0 432.542 2.811 40 0 IFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222739026 557381447 /nfs/dbraw/zinc/38/14/47/557381447.db2.gz ZMFCMUYTAPRYQI-HNNXBMFYSA-N 0 0 448.541 2.527 40 0 IFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222739085 557381463 /nfs/dbraw/zinc/38/14/63/557381463.db2.gz ZMFCMUYTAPRYQI-OAHLLOKOSA-N 0 0 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568628233 /nfs/dbraw/zinc/62/82/33/568628233.db2.gz GIVCFCVJEGLEKK-LBPRGKRZSA-N 0 0 445.324 2.716 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)cc1 ZINC000260893036 568628237 /nfs/dbraw/zinc/62/82/37/568628237.db2.gz GGHOTIGNRPTGKW-SFHVURJKSA-N 0 0 429.542 2.736 40 0 IFABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000260902822 568628768 /nfs/dbraw/zinc/62/87/68/568628768.db2.gz WEUNRHKEAKQOSQ-GOSISDBHSA-N 0 0 431.558 2.933 40 0 IFABRN COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000260910161 568629258 /nfs/dbraw/zinc/62/92/58/568629258.db2.gz XAFILMFNSWWJPT-ROUUACIJSA-N 0 0 432.542 2.680 40 0 IFABRN CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000260912852 568629532 /nfs/dbraw/zinc/62/95/32/568629532.db2.gz YVKOLDJKAAQOPO-ZDUSSCGKSA-N 0 0 445.324 2.716 40 0 IFABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 ZINC000260918171 568630128 /nfs/dbraw/zinc/63/01/28/568630128.db2.gz 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438.933 2.625 40 0 IFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000044911947 556680951 /nfs/dbraw/zinc/68/09/51/556680951.db2.gz CBHVQQSXMCAXME-IBGZPJMESA-N 0 0 432.498 2.646 40 0 IFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1C ZINC000044911741 556680999 /nfs/dbraw/zinc/68/09/99/556680999.db2.gz LUGDSAIRPCZBDP-LJQANCHMSA-N 0 0 432.498 2.646 40 0 IFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1C ZINC000044911759 556681034 /nfs/dbraw/zinc/68/10/34/556681034.db2.gz CPVVVMCIJHMKAE-LJQANCHMSA-N 0 0 432.498 2.728 40 0 IFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 ZINC000044912212 556681432 /nfs/dbraw/zinc/68/14/32/556681432.db2.gz PFMZTSWWIZEAQR-LJQANCHMSA-N 0 0 432.498 2.728 40 0 IFABRN CN(CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 ZINC000044916985 556681580 /nfs/dbraw/zinc/68/15/80/556681580.db2.gz HDHZHXNAUPDOAV-NRFANRHFSA-N 0 0 445.585 2.764 40 0 IFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)O2 ZINC000044918682 556682006 /nfs/dbraw/zinc/68/20/06/556682006.db2.gz WYYMNJWYMOBYBX-UZLBHIALSA-N 0 0 430.526 2.941 40 0 IFABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000018109771 556684161 /nfs/dbraw/zinc/68/41/61/556684161.db2.gz HPNUGHIOVUGCPQ-DOTOQJQBSA-N 0 0 448.516 2.875 40 0 IFABRN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)Nc1ccc(F)cc1 ZINC000135631717 556688035 /nfs/dbraw/zinc/68/80/35/556688035.db2.gz JEDHHCYDRYHTMK-MRUHUIDDSA-N 0 0 426.492 2.779 40 0 IFABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(C)cc1 ZINC000018699474 556690570 /nfs/dbraw/zinc/69/05/70/556690570.db2.gz DMAACUPNSKYXBP-HXUWFJFHSA-N 0 0 432.542 2.906 40 0 IFABRN CC(=O)NCC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019021264 556693941 /nfs/dbraw/zinc/69/39/41/556693941.db2.gz ARQXLJHNTZNTPN-GFCCVEGCSA-N 0 0 437.447 2.929 40 0 IFABRN COc1ccc(-n2nc3ccc(NC(=O)Cn4nnc(-c5ccc(C)o5)n4)cc3n2)cc1 ZINC000000797031 556695768 /nfs/dbraw/zinc/69/57/68/556695768.db2.gz YTKHPXZUYBZOAS-UHFFFAOYSA-N 0 0 430.428 2.623 40 0 IFABRN COCCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)cc(=O)[nH]2)CC1 ZINC000019081214 556695812 /nfs/dbraw/zinc/69/58/12/556695812.db2.gz WCLNXOLTHUAQAL-KRWDZBQOSA-N 0 0 432.565 2.677 40 0 IFABRN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 ZINC000000813927 556698399 /nfs/dbraw/zinc/69/83/99/556698399.db2.gz QUUJYPZNAQNQDY-UHFFFAOYSA-N 0 0 446.525 2.830 40 0 IFABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1 ZINC000000813992 556698730 /nfs/dbraw/zinc/69/87/30/556698730.db2.gz QBDVNSXDXDKFLN-UHFFFAOYSA-N 0 0 425.510 2.598 40 0 IFABRN CC(C)C(=O)N1CCC(C[C@H]2CC(c3ccccc3)=NO2)(C(=O)N2CCC(O)CC2)CC1 ZINC000019085163 556698806 /nfs/dbraw/zinc/69/88/06/556698806.db2.gz ZJNJCOHGHXNFKM-OAQYLSRUSA-N 0 0 441.572 2.818 40 0 IFABRN CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(=O)[nH]2)CC1 ZINC000019085318 556699009 /nfs/dbraw/zinc/69/90/09/556699009.db2.gz RIZIWGJSLHJZHP-GOSISDBHSA-N 0 0 437.544 2.959 40 0 IFABRN CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4ccncc4)C3)cc(=O)[nH]2)CC1 ZINC000019085338 556699369 /nfs/dbraw/zinc/69/93/69/556699369.db2.gz YLUQPSXEDUBQQX-IBGZPJMESA-N 0 0 437.544 2.959 40 0 IFABRN CC(C)C(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)Cc4cccnc4)CC3)c2c1 ZINC000019086249 556699870 /nfs/dbraw/zinc/69/98/70/556699870.db2.gz UGJURGZNNNGHIL-UHFFFAOYSA-N 0 0 435.528 2.622 40 0 IFABRN Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)c3ccco3)CC2)on1 ZINC000019123082 556702008 /nfs/dbraw/zinc/70/20/08/556702008.db2.gz STZUQQVMWNCMCN-UHFFFAOYSA-N 0 0 436.516 2.805 40 0 IFABRN CC(=O)N1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)[C@H](c2ccccc2)C1 ZINC000257318280 556703930 /nfs/dbraw/zinc/70/39/30/556703930.db2.gz VNFVDUXIDQSRKR-QFIPXVFZSA-N 0 0 435.524 2.733 40 0 IFABRN COc1ccc(-c2cccc(CC3(C(=O)N4CCN(CCO)CC4)CCOCC3)c2)cc1 ZINC000257322177 556704563 /nfs/dbraw/zinc/70/45/63/556704563.db2.gz WEWJFOJAJGUKCX-UHFFFAOYSA-N 0 0 438.568 2.838 40 0 IFABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1 ZINC000019134415 556705373 /nfs/dbraw/zinc/70/53/73/556705373.db2.gz ROLVRTJYACXHAJ-HNNXBMFYSA-N 0 0 426.498 2.739 40 0 IFABRN Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)cc1 ZINC000019135706 556706085 /nfs/dbraw/zinc/70/60/85/556706085.db2.gz RPPHNTCDRIWCSO-LPHOPBHVSA-N 0 0 434.540 2.905 40 0 IFABRN CC(C)c1ccc([C@H]2NC3=NCN(N4CCN(C)CC4)CN3c3nc4ccccc4n32)cc1 ZINC000019172404 556707507 /nfs/dbraw/zinc/70/75/07/556707507.db2.gz NIGDKIVUUNQZFI-QHCPKHFHSA-N 0 0 444.587 2.865 40 0 IFABRN COc1ccc([C@@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C(C)=O)cc1 ZINC000257231155 556708991 /nfs/dbraw/zinc/70/89/91/556708991.db2.gz GFOMTSRJPNSWFX-DEOSSOPVSA-N 0 0 437.540 2.573 40 0 IFABRN Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCN(C)Cc4cccnc4)C3)c2N)cc1 ZINC000019213197 556710705 /nfs/dbraw/zinc/71/07/05/556710705.db2.gz HMWUYZPGYCGNQU-FQEVSTJZSA-N 0 0 446.555 2.711 40 0 IFABRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCCC2)CC3)cn1 ZINC000019214893 556711587 /nfs/dbraw/zinc/71/15/87/556711587.db2.gz VNGMJZZYCFGFCQ-OAQYLSRUSA-N 0 0 449.555 2.916 40 0 IFABRN COCCn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019222158 556716188 /nfs/dbraw/zinc/71/61/88/556716188.db2.gz DILNJUBBTOUFLB-UHFFFAOYSA-N 0 0 432.528 2.714 40 0 IFABRN O=C(c1n[nH]c(=O)c2ccccc21)N1CCNC(=O)[C@H]1Cc1ccccc1-c1ccccc1 ZINC000257345014 556718866 /nfs/dbraw/zinc/71/88/66/556718866.db2.gz ZZOQESKBKFKWAC-JOCHJYFZSA-N 0 0 438.487 2.773 40 0 IFABRN Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)Cn4ccnc4)CCO3)cc2)c1 ZINC000019235365 556719712 /nfs/dbraw/zinc/71/97/12/556719712.db2.gz BNXHZDQVHBRCBS-AREMUKBSSA-N 0 0 446.551 2.787 40 0 IFABRN Cc1cccc(N2C[C@H](C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)CC2=O)c1C ZINC000019235545 556720135 /nfs/dbraw/zinc/72/01/35/556720135.db2.gz OLIKQTUWANXIOD-LJQANCHMSA-N 0 0 444.539 2.891 40 0 IFABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 ZINC000139105665 556721087 /nfs/dbraw/zinc/72/10/87/556721087.db2.gz WZSYRFYNHLHSHA-WCQYABFASA-N 0 0 445.907 2.875 40 0 IFABRN CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C[C@H](C)n3nc(C)nc3C)C2)C1 ZINC000019285650 556727543 /nfs/dbraw/zinc/72/75/43/556727543.db2.gz ABKOXXYSAORASP-QMHKHESXSA-N 0 0 425.533 2.648 40 0 IFABRN COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)CCn1ccccc1=O)cn2C ZINC000019287122 556728300 /nfs/dbraw/zinc/72/83/00/556728300.db2.gz VEHUWPXQKHNVEO-UHFFFAOYSA-N 0 0 431.496 2.821 40 0 IFABRN COc1ccc(OC)c([C@@H](C)NC(=O)Cn2nc(C)n3c(cc4ccsc43)c2=O)c1 ZINC000019288298 556728485 /nfs/dbraw/zinc/72/84/85/556728485.db2.gz XGDLJISXGKGXFH-GFCCVEGCSA-N 0 0 426.498 2.914 40 0 IFABRN CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@@H]1CC[C@H](C2)N1C(=O)c1ccn(C)c(=O)c1 ZINC000019290818 556730859 /nfs/dbraw/zinc/73/08/59/556730859.db2.gz PQGDLFBARZSSCP-MJGOQNOKSA-N 0 0 430.512 2.887 40 0 IFABRN COc1cc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)ccc1O 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/nfs/dbraw/zinc/73/89/38/556738938.db2.gz FTVGJQLXNXUOHI-ONTIZHBOSA-N 0 0 431.471 2.781 40 0 IFABRN O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCCCC3)[nH]c2=O)C1 ZINC000019337746 556739058 /nfs/dbraw/zinc/73/90/58/556739058.db2.gz CCFSZQQTUXVPLS-NRFANRHFSA-N 0 0 449.555 2.997 40 0 IFABRN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 ZINC000019339369 556739339 /nfs/dbraw/zinc/73/93/39/556739339.db2.gz LXNCMOBJHVFNOM-OAQYLSRUSA-N 0 0 433.487 2.840 40 0 IFABRN CC(C)CNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000000891287 556739936 /nfs/dbraw/zinc/73/99/36/556739936.db2.gz BHUDLWMQMBRXDK-KRWDZBQOSA-N 0 0 431.558 2.811 40 0 IFABRN O=C(CCc1ccc2c(c1)OCCO2)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 ZINC000019344926 556742320 /nfs/dbraw/zinc/74/23/20/556742320.db2.gz CMDVQDJYNMOPGG-INIZCTEOSA-N 0 0 425.514 2.797 40 0 IFABRN O=C(Cc1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2 ZINC000019348149 556743794 /nfs/dbraw/zinc/74/37/94/556743794.db2.gz 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431.493 2.570 40 0 IFABRN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3snnc3C)CCO2)cc1 ZINC000019693735 569229105 /nfs/dbraw/zinc/22/91/05/569229105.db2.gz IXMLOLQDNMNFIJ-QGZVFWFLSA-N 0 0 440.529 2.592 40 0 IFABRN COc1cccc(OC)c1C(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 ZINC000019693746 569229128 /nfs/dbraw/zinc/22/91/28/569229128.db2.gz ICSUNONGDKLQHP-OAHLLOKOSA-N 0 0 436.516 2.590 40 0 IFABRN Cc1nc(-c2cncnc2[C@@H]2CCN(C(=O)c3cn(C)c4ccc(C)cc4c3=O)C2)no1 ZINC000019693864 569229283 /nfs/dbraw/zinc/22/92/83/569229283.db2.gz OLDCXHXXDWOKFF-OAHLLOKOSA-N 0 0 430.468 2.625 40 0 IFABRN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)CCc3nc(C)no3)C2)cc1 ZINC000019694925 569229391 /nfs/dbraw/zinc/22/93/91/569229391.db2.gz FDDMBNXJNCWWMB-KRWDZBQOSA-N 0 0 436.516 2.858 40 0 IFABRN COc1ccc(-c2nc(C3CCN(C(=O)COc4ccccc4)CC3)[nH]c2C(N)=O)cc1 ZINC000019697012 569229899 /nfs/dbraw/zinc/22/98/99/569229899.db2.gz OZESRXJEQBMXMR-UHFFFAOYSA-N 0 0 434.496 2.969 40 0 IFABRN COc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)[nH]c2C(N)=O)cc1 ZINC000019698890 569230277 /nfs/dbraw/zinc/23/02/77/569230277.db2.gz SCMAFGSTDJENTQ-INIZCTEOSA-N 0 0 440.525 2.753 40 0 IFABRN Nc1nc2c(cc1C(=O)N1CCOCC1)CN(C(=O)C1(c3ccccc3)CCCC1)CC2 ZINC000019701073 569231270 /nfs/dbraw/zinc/23/12/70/569231270.db2.gz CDTRNOQZYOEFMX-UHFFFAOYSA-N 0 0 434.540 2.533 40 0 IFABRN CNc1nc(C)c(C(=O)N2CCc3nc(N)c(C(=O)NCc4ccccc4)cc3C2)s1 ZINC000019701048 569231300 /nfs/dbraw/zinc/23/13/00/569231300.db2.gz MQWASMKSBQWYMF-UHFFFAOYSA-N 0 0 436.541 2.599 40 0 IFABRN COc1ccccc1NC(=O)[C@H]1CN(C(=O)c2cn3ccc(C)cc3n2)Cc2cn(C)nc21 ZINC000019701599 569231699 /nfs/dbraw/zinc/23/16/99/569231699.db2.gz ZCBYBISMIOWQOP-KRWDZBQOSA-N 0 0 444.495 2.763 40 0 IFABRN CNc1cc(C(=O)N2CC[C@H](c3c4cccnc4sc3C(=O)NCCOC)C2)ccn1 ZINC000019702357 569231928 /nfs/dbraw/zinc/23/19/28/569231928.db2.gz UUVPAXVOEHXKBD-HNNXBMFYSA-N 0 0 439.541 2.739 40 0 IFABRN COc1c(C)cccc1C(=O)N1CC[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702542 569232033 /nfs/dbraw/zinc/23/20/33/569232033.db2.gz LQTPBLMUFTXNOK-OAHLLOKOSA-N 0 0 439.537 2.965 40 0 IFABRN CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(S(=O)(=O)c2ccccc2OC)C1 ZINC000019702501 569232035 /nfs/dbraw/zinc/23/20/35/569232035.db2.gz RNFBZFNVZXGYKB-CYBMUJFWSA-N 0 0 431.539 2.843 40 0 IFABRN Cc1noc(CCC(=O)N2CCO[C@@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)n1 ZINC000019702809 569232413 /nfs/dbraw/zinc/23/24/13/569232413.db2.gz RLYVJYNNIPPYJO-OAHLLOKOSA-N 0 0 443.529 2.659 40 0 IFABRN CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1 ZINC000019703037 569232649 /nfs/dbraw/zinc/23/26/49/569232649.db2.gz RQUDAYJGFRQINO-MRXNPFEDSA-N 0 0 447.463 2.913 40 0 IFABRN NC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)COc2cccc3cccnc32)CCO1 ZINC000019703089 569232765 /nfs/dbraw/zinc/23/27/65/569232765.db2.gz LQIJMGLRAALADQ-QGZVFWFLSA-N 0 0 448.504 2.922 40 0 IFABRN CNC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000019703571 569233178 /nfs/dbraw/zinc/23/31/78/569233178.db2.gz BNUNOHZGSBCYNB-QHCPKHFHSA-N 0 0 437.475 2.902 40 0 IFABRN Cc1cc(C)n(CCC(=O)N2CC[C@H](c3cc(COc4cccc(F)c4)n[nH]3)C2)c(=O)n1 ZINC000019704634 569233464 /nfs/dbraw/zinc/23/34/64/569233464.db2.gz XVQDISPOZMXOKG-KRWDZBQOSA-N 0 0 439.491 2.708 40 0 IFABRN COc1cc2c(cc1CCC(=O)N1CCO[C@H](c3ccc4c(N)nc(C)nc4n3)C1)CCC2 ZINC000019704804 569233704 /nfs/dbraw/zinc/23/37/04/569233704.db2.gz YYLUTDHRQHBSMY-QFIPXVFZSA-N 0 0 447.539 2.945 40 0 IFABRN O=C(CN1CCCC1=O)N1CC[C@@H](c2ccc3c(NCCc4ccccc4)n[nH]c3n2)C1 ZINC000019705116 569233990 /nfs/dbraw/zinc/23/39/90/569233990.db2.gz UYRGELMQVAGRFX-GOSISDBHSA-N 0 0 432.528 2.551 40 0 IFABRN O=C(CCCOc1ccccc1F)N1CC[C@H](c2ncccc2C(=O)N2CCOCC2)C1 ZINC000019707929 569234606 /nfs/dbraw/zinc/23/46/06/569234606.db2.gz ZMIKIQLCFUIWAN-SFHVURJKSA-N 0 0 441.503 2.868 40 0 IFABRN Cc1nn2c(nccc2[C@H]2CN(C(=O)CCC3CCCC3)CCO2)c1CN1CCOCC1 ZINC000019707752 569234678 /nfs/dbraw/zinc/23/46/78/569234678.db2.gz VARQJOWOQJZUJM-JOCHJYFZSA-N 0 0 441.576 2.740 40 0 IFABRN Cc1noc(C)c1S(=O)(=O)N1[C@H](Cc2ccccc2F)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712127 569235202 /nfs/dbraw/zinc/23/52/02/569235202.db2.gz ANNMCELKYVBMKL-NZSAHSFTSA-N 0 0 435.521 2.864 40 0 IFABRN Cn1nc(C(F)(F)F)cc1C(=O)NCC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CCO1 ZINC000019712078 569235208 /nfs/dbraw/zinc/23/52/08/569235208.db2.gz AGURNHNESBMFDK-HIFRSBDPSA-N 0 0 445.463 2.580 40 0 IFABRN Cc1nc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019738821 569236015 /nfs/dbraw/zinc/23/60/15/569236015.db2.gz BWZIOHNPXNYMLD-GOSISDBHSA-N 0 0 430.512 2.628 40 0 IFABRN Cc1nc([C@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019738967 569236294 /nfs/dbraw/zinc/23/62/94/569236294.db2.gz ORVFXEYLKRPWHU-SFHVURJKSA-N 0 0 448.502 2.616 40 0 IFABRN COc1cccc(S(=O)(=O)N2CC[C@@](Cc3cc(C4CCCCC4)no3)(C(N)=O)C2)c1 ZINC000019739148 569236423 /nfs/dbraw/zinc/23/64/23/569236423.db2.gz BKSIECZAAMNQMD-QFIPXVFZSA-N 0 0 447.557 2.840 40 0 IFABRN 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ZINC000019764104 569238388 /nfs/dbraw/zinc/23/83/88/569238388.db2.gz PHUXTEPHMCLDAD-FQEVSTJZSA-N 0 0 445.523 2.825 40 0 IFABRN COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1cccn1 ZINC000019764555 569238546 /nfs/dbraw/zinc/23/85/46/569238546.db2.gz XLCFEHPPXPOIBV-LJQANCHMSA-N 0 0 434.500 2.505 40 0 IFABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)CN2Cc3ccccc3C2=O)nc1C ZINC000019765518 569238829 /nfs/dbraw/zinc/23/88/29/569238829.db2.gz DTPVOFTVUUDZJD-OAQYLSRUSA-N 0 0 449.555 2.977 40 0 IFABRN CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 ZINC000019767013 569239568 /nfs/dbraw/zinc/23/95/68/569239568.db2.gz GRMFJVAYSVFGBM-IBGZPJMESA-N 0 0 437.610 2.961 40 0 IFABRN Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1Br ZINC000021454131 569241623 /nfs/dbraw/zinc/24/16/23/569241623.db2.gz GNDXYAVDHBBMKC-CYBMUJFWSA-N 0 0 435.274 2.881 40 0 IFABRN Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000022159554 569241714 /nfs/dbraw/zinc/24/17/14/569241714.db2.gz 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CCOc1ccccc1CCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000044910012 556680784 /nfs/dbraw/zinc/68/07/84/556680784.db2.gz RDRQIDKDNUYQHT-NRFANRHFSA-N 0 0 432.542 2.751 40 0 IFABRN COc1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(OC)c1OC ZINC000044948869 556684111 /nfs/dbraw/zinc/68/41/11/556684111.db2.gz OJDTULLLOPEMCM-UHFFFAOYSA-N 0 0 434.514 2.626 40 0 IFABRN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)Nc1ccc(F)c(F)c1 ZINC000135632703 556688099 /nfs/dbraw/zinc/68/80/99/556688099.db2.gz MGDJTRLJKJFOTF-ZSDSOXJFSA-N 0 0 444.482 2.919 40 0 IFABRN O=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000135645119 556688152 /nfs/dbraw/zinc/68/81/52/556688152.db2.gz YAVWLTGQSCTQLK-VWPQPMDRSA-N 0 0 448.567 2.647 40 0 IFABRN O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 ZINC000019014767 556692273 /nfs/dbraw/zinc/69/22/73/556692273.db2.gz OQCFKGFYXVRMBZ-WOJBJXKFSA-N 0 0 442.560 2.880 40 0 IFABRN 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O=C(c1cccs1)N1CCc2c(=O)[nH]c([C@H]3CCCCN3C(=O)C3CCC3)nc2C1 ZINC000019342844 556740588 /nfs/dbraw/zinc/74/05/88/556740588.db2.gz DPWWVMFAHHJFOA-QGZVFWFLSA-N 0 0 426.542 2.884 40 0 IFABRN O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 ZINC000019342795 556740772 /nfs/dbraw/zinc/74/07/72/556740772.db2.gz IOGVXTJQSTTYJV-QGZVFWFLSA-N 0 0 426.542 2.884 40 0 IFABRN O=C(c1ccc2c(c1)OCCO2)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019345485 556742324 /nfs/dbraw/zinc/74/23/24/556742324.db2.gz DOKWGDURZMMIHP-UHFFFAOYSA-N 0 0 438.509 2.986 40 0 IFABRN O=C(CCc1ccc2c(c1)OCCO2)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 ZINC000019344923 556742335 /nfs/dbraw/zinc/74/23/35/556742335.db2.gz CMDVQDJYNMOPGG-MRXNPFEDSA-N 0 0 425.514 2.797 40 0 IFABRN O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 ZINC000019349296 556744049 /nfs/dbraw/zinc/74/40/49/556744049.db2.gz UVRHVPOOGKQLCB-JOCHJYFZSA-N 0 0 447.514 2.769 40 0 IFABRN O=C(CN1CCc2[nH]nc(-c3ccccc3F)c2C1)N1CCC[C@@H](c2csnn2)C1 ZINC000019368304 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MOVAOKDBRWROCH-MRXNPFEDSA-N 0 0 444.553 2.696 40 0 IFABRN CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 ZINC000223200096 557445222 /nfs/dbraw/zinc/44/52/22/557445222.db2.gz MFVKWLKWSMIOTA-INIZCTEOSA-N 0 0 444.553 2.980 40 0 IFABRN CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)Oc2ccccc21 ZINC000026112698 557446273 /nfs/dbraw/zinc/44/62/73/557446273.db2.gz JYYRFSDBXSCCQV-HXUWFJFHSA-N 0 0 449.960 2.606 40 0 IFABRN Cc1ccccc1-c1noc(CNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)n1 ZINC000223221223 557447408 /nfs/dbraw/zinc/44/74/08/557447408.db2.gz DGYUJLYUIZZURR-HNNXBMFYSA-N 0 0 444.513 2.525 40 0 IFABRN C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223232307 557449021 /nfs/dbraw/zinc/44/90/21/557449021.db2.gz BMVHAJTWYFSWCY-KRWDZBQOSA-N 0 0 428.554 2.828 40 0 IFABRN CCOc1cc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC ZINC000223266957 557453118 /nfs/dbraw/zinc/45/31/18/557453118.db2.gz XNPKRVJBDRCMJM-OAHLLOKOSA-N 0 0 436.530 2.573 40 0 IFABRN O=C(NCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015009051 557456798 /nfs/dbraw/zinc/45/67/98/557456798.db2.gz GINFUWZSNFODMW-UHFFFAOYSA-N 0 0 429.325 2.944 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000223324095 557459287 /nfs/dbraw/zinc/45/92/87/557459287.db2.gz PDFVOOSDYPNLGI-UHFFFAOYSA-N 0 0 446.525 2.822 40 0 IFABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C(C)C ZINC000223339831 557460377 /nfs/dbraw/zinc/46/03/77/557460377.db2.gz VFJKBAXMHWKLPM-DLBZAZTESA-N 0 0 425.595 2.823 40 0 IFABRN Cc1ccccc1-c1noc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000223340239 557460412 /nfs/dbraw/zinc/46/04/12/557460412.db2.gz VPJWOLAQULTRDQ-UHFFFAOYSA-N 0 0 434.905 2.635 40 0 IFABRN COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C ZINC000223362664 557462742 /nfs/dbraw/zinc/46/27/42/557462742.db2.gz ANIDWBOKFONQAV-UHFFFAOYSA-N 0 0 445.585 2.819 40 0 IFABRN CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)s1 ZINC000223381565 557465390 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569208067 /nfs/dbraw/zinc/20/80/67/569208067.db2.gz DNMISKGVNCVSCQ-ZLGUVYLKSA-N 0 0 442.512 2.934 40 0 IFABRN C[C@@H]1CCC[C@@H](N2CN=C(NS(=O)(=O)c3ccc(Br)cc3)NC2)[C@H]1C ZINC000253564061 569208873 /nfs/dbraw/zinc/20/88/73/569208873.db2.gz GCQSNAMFGIYCLD-DVOMOZLQSA-N 0 0 429.384 2.728 40 0 IFABRN COC(=O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@]34CC[C@H](OC(C)=O)C[C@]3(O)CC[C@]21O[C@@H]4OC ZINC000253596094 569208958 /nfs/dbraw/zinc/20/89/58/569208958.db2.gz NAWSESIXRIDTIN-ZJXLCWOCSA-N 0 0 436.545 2.970 40 0 IFABRN Cn1c2nn(Cc3ccc(F)cc3)c(=O)n2c2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000023126054 569217547 /nfs/dbraw/zinc/21/75/47/569217547.db2.gz LOFWZYFIQBOLPL-UHFFFAOYSA-N 0 0 449.486 2.598 40 0 IFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000009973437 569220214 /nfs/dbraw/zinc/22/02/14/569220214.db2.gz DBQPXVPSVOXLFS-DHZHZOJOSA-N 0 0 429.425 2.938 40 0 IFABRN CC(C)CNC(=O)CSC(Nc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009973858 569220342 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CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc4nsnc4c3)sc2c1 ZINC000057313267 569582930 /nfs/dbraw/zinc/58/29/30/569582930.db2.gz GTLFWZCQYIRSHM-UHFFFAOYSA-N 0 0 428.524 3.386 40 0 IFABRN CCOC(=O)/C=c1/s/c(=C/c2ccc(SC)cc2)c(=O)n1Cc1ccc(F)cc1 ZINC000033466759 122853718 /nfs/dbraw/zinc/85/37/18/122853718.db2.gz PRKDREKBWLWBRG-KVOOEGMKSA-N 0 0 429.538 2.992 40 0 IFABRN COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C(C)C ZINC000030881735 291344490 /nfs/dbraw/zinc/34/44/90/291344490.db2.gz AABLETICTANXER-FKBYEOEOSA-N 0 0 442.604 2.738 40 0 biogenic,in-vitro IFABRN CO[C@@H]1/C=C/[C@@](C)(O)[C@H](SC[C@H]([NH3+])C(=O)[O-])CC(=O)O[C@H](C)[C@@H](C)CC/C=C/1C ZINC000067913526 291344924 /nfs/dbraw/zinc/34/49/24/291344924.db2.gz XBLHNZRXAORYAC-WLLPQAGNSA-N 0 0 429.579 2.520 40 0 biogenic,in-vitro IFABRN COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3c(O)cc(O)c(CC=C(C)C)c3O[C@@H]1CO2 ZINC000049181362 291345751 /nfs/dbraw/zinc/34/57/51/291345751.db2.gz LAUJMTGOOIBBOB-XXBNENTESA-N 0 0 428.437 2.848 40 0 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XDEQSYRLARYLGC-QMJOVRGKSA-N 0 0 428.510 2.999 40 0 IFABRN CCOC(=O)N1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 ZINC000408549383 555830167 /nfs/dbraw/zinc/83/01/67/555830167.db2.gz YQBSAHVJXZCCIJ-OAQYLSRUSA-N 0 0 443.525 2.968 40 0 IFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 ZINC000408550219 555862321 /nfs/dbraw/zinc/86/23/21/555862321.db2.gz BOYQNLXRQFSVRJ-FUHWJXTLSA-N 0 0 432.542 2.982 40 0 IFABRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000002921221 555863524 /nfs/dbraw/zinc/86/35/24/555863524.db2.gz DWBVEAGSNKRHNN-UHFFFAOYSA-N 0 0 427.526 2.959 40 0 IFABRN COCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408557342 555895427 /nfs/dbraw/zinc/89/54/27/555895427.db2.gz MUJZHQFCBMPMMD-UHFFFAOYSA-N 0 0 426.922 2.615 40 0 IFABRN CCN1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)CC1 ZINC000408557462 555895616 /nfs/dbraw/zinc/89/56/16/555895616.db2.gz MXMYPCGBYNWCMB-UHFFFAOYSA-N 0 0 437.949 2.927 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1C ZINC000408558061 555896838 /nfs/dbraw/zinc/89/68/38/555896838.db2.gz IHMOQNSEQUJDLS-UHFFFAOYSA-N 0 0 426.579 2.726 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)C2)cc1 ZINC000408558001 555896857 /nfs/dbraw/zinc/89/68/57/555896857.db2.gz PRTAROKITPBZBK-KRWDZBQOSA-N 0 0 446.525 2.911 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(=O)OC)cc3)C2)cc1 ZINC000408558002 555896895 /nfs/dbraw/zinc/89/68/95/555896895.db2.gz PRTAROKITPBZBK-QGZVFWFLSA-N 0 0 446.525 2.911 40 0 IFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000408558181 555897181 /nfs/dbraw/zinc/89/71/81/555897181.db2.gz IRLQMKYKGLTXKT-INIZCTEOSA-N 0 0 446.525 2.896 40 0 IFABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000408559148 555898717 /nfs/dbraw/zinc/89/87/17/555898717.db2.gz LMVASJDJADYTJG-OAHLLOKOSA-N 0 0 434.514 2.752 40 0 IFABRN O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000408565895 555908439 /nfs/dbraw/zinc/90/84/39/555908439.db2.gz DDHVTKWWPXBOIX-UHFFFAOYSA-N 0 0 447.491 2.882 40 0 IFABRN COc1cc(C)c(NC(=O)Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1C ZINC000408567616 555911234 /nfs/dbraw/zinc/91/12/34/555911234.db2.gz OXXJFFFEHVLWTC-UHFFFAOYSA-N 0 0 449.507 2.947 40 0 IFABRN CC(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408584499 555937326 /nfs/dbraw/zinc/93/73/26/555937326.db2.gz QNXACHYHROMPBF-QGZVFWFLSA-N 0 0 425.348 2.863 40 0 IFABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000408587952 555938545 /nfs/dbraw/zinc/93/85/45/555938545.db2.gz VCPOTFVMTOYUAY-UHFFFAOYSA-N 0 0 436.442 2.629 40 0 IFABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccccc1 ZINC000408586442 555938786 /nfs/dbraw/zinc/93/87/86/555938786.db2.gz AAUVGDQXIKAYKU-OAHLLOKOSA-N 0 0 438.933 2.617 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408589307 555940150 /nfs/dbraw/zinc/94/01/50/555940150.db2.gz GXEQFNNICYOPIQ-UHFFFAOYSA-N 0 0 433.313 2.936 40 0 IFABRN COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)C4CC4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840770 555947458 /nfs/dbraw/zinc/94/74/58/555947458.db2.gz AUYNZDBCQGTOGS-NLOCKEKJSA-N 0 0 449.617 2.943 40 0 biogenic,in-vitro IFABRN COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl ZINC000408591675 555952169 /nfs/dbraw/zinc/95/21/69/555952169.db2.gz JWSBVLRPFNMURK-CQSZACIVSA-N 0 0 438.933 2.621 40 0 IFABRN COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl ZINC000408591724 555952407 /nfs/dbraw/zinc/95/24/07/555952407.db2.gz KAJNYDUSDKYBTQ-LBPRGKRZSA-N 0 0 442.921 2.980 40 0 IFABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000408591735 555952574 /nfs/dbraw/zinc/95/25/74/555952574.db2.gz JHZKCHRDUGGUAB-UHFFFAOYSA-N 0 0 445.585 2.567 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408592091 555952909 /nfs/dbraw/zinc/95/29/09/555952909.db2.gz NTVALANLYDRGMH-UHFFFAOYSA-N 0 0 433.313 2.936 40 0 IFABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)c1 ZINC000408592810 555954306 /nfs/dbraw/zinc/95/43/06/555954306.db2.gz LVRXADPLEDDELA-UHFFFAOYSA-N 0 0 442.541 2.886 40 0 IFABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCCn1ccnc1 ZINC000408593760 555959858 /nfs/dbraw/zinc/95/98/58/555959858.db2.gz NHJRDJDYJIHGAS-UHFFFAOYSA-N 0 0 426.542 2.501 40 0 IFABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408593675 555959970 /nfs/dbraw/zinc/95/99/70/555959970.db2.gz NCLKUOGNXOEYES-HNNXBMFYSA-N 0 0 434.514 2.814 40 0 IFABRN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(=O)NCC(C)C ZINC000408595720 555962570 /nfs/dbraw/zinc/96/25/70/555962570.db2.gz STUBTRNSQIREMH-UHFFFAOYSA-N 0 0 429.586 2.887 40 0 IFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408596525 555963736 /nfs/dbraw/zinc/96/37/36/555963736.db2.gz WMXGGXYDLKJSFK-UHFFFAOYSA-N 0 0 433.313 2.936 40 0 IFABRN CC(C)OCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408601301 555969455 /nfs/dbraw/zinc/96/94/55/555969455.db2.gz FHLWTVRTTAMECO-KRWDZBQOSA-N 0 0 426.579 2.996 40 0 IFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(C)cc2)cc1 ZINC000408601454 555969763 /nfs/dbraw/zinc/96/97/63/555969763.db2.gz AAGGBKYWBKGRAQ-UHFFFAOYSA-N 0 0 442.541 2.602 40 0 IFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000408602114 555970959 /nfs/dbraw/zinc/97/09/59/555970959.db2.gz HTLGPMAOKKVXGK-GFCCVEGCSA-N 0 0 440.905 2.815 40 0 IFABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000408602739 555971821 /nfs/dbraw/zinc/97/18/21/555971821.db2.gz IWBVFIBLBWAASK-IBGZPJMESA-N 0 0 445.585 2.737 40 0 IFABRN COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1C ZINC000408612793 555978012 /nfs/dbraw/zinc/97/80/12/555978012.db2.gz YWDPAZXLNGINLQ-UHFFFAOYSA-N 0 0 427.320 2.935 40 0 IFABRN O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)C[C@@H]1CCCO1)Nc1ccccn1 ZINC000004240850 555978705 /nfs/dbraw/zinc/97/87/05/555978705.db2.gz ZVIJJBLKUWWTNX-IBGZPJMESA-N 0 0 430.549 2.647 40 0 IFABRN COc1cc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c(OC)cc1Cl ZINC000408618459 555982128 /nfs/dbraw/zinc/98/21/28/555982128.db2.gz JNCXCPDHJZUCTM-UHFFFAOYSA-N 0 0 440.905 2.965 40 0 IFABRN COC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000408619260 555983078 /nfs/dbraw/zinc/98/30/78/555983078.db2.gz GYHSTAFQTYXZSP-FQEVSTJZSA-N 0 0 432.586 2.996 40 0 IFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccccc2C)cc1 ZINC000408613972 555984336 /nfs/dbraw/zinc/98/43/36/555984336.db2.gz ZJBZCYCMBVFBMQ-UHFFFAOYSA-N 0 0 426.542 2.902 40 0 IFABRN Cc1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000408613839 555984393 /nfs/dbraw/zinc/98/43/93/555984393.db2.gz WINYFCSIIGVAKY-UHFFFAOYSA-N 0 0 425.348 2.836 40 0 IFABRN CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1 ZINC000408614734 555985584 /nfs/dbraw/zinc/98/55/84/555985584.db2.gz GYRSLZYMSNDHTJ-NRFANRHFSA-N 0 0 449.551 2.920 40 0 IFABRN Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 ZINC000408614995 555985910 /nfs/dbraw/zinc/98/59/10/555985910.db2.gz KPBYQYHJHJKYHU-HXUWFJFHSA-N 0 0 435.524 2.666 40 0 IFABRN CCOC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)sc2c1CCC2 ZINC000408616521 555987368 /nfs/dbraw/zinc/98/73/68/555987368.db2.gz AFGAFFVZOHHQKD-UHFFFAOYSA-N 0 0 440.518 2.957 40 0 IFABRN COc1ccc(C)cc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(C)(=O)=O ZINC000408621033 555989920 /nfs/dbraw/zinc/98/99/20/555989920.db2.gz NWWPNVWUEXFGKL-UHFFFAOYSA-N 0 0 445.585 2.735 40 0 IFABRN CC(=O)c1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000408621377 555990107 /nfs/dbraw/zinc/99/01/07/555990107.db2.gz ROLIZBJSLYYZCH-UHFFFAOYSA-N 0 0 445.541 2.822 40 0 IFABRN CCCCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000408623016 555992021 /nfs/dbraw/zinc/99/20/21/555992021.db2.gz OMLAKONWDJLTLD-UHFFFAOYSA-N 0 0 433.530 2.895 40 0 IFABRN CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000408624462 555993907 /nfs/dbraw/zinc/99/39/07/555993907.db2.gz QIEJNPRIFURSKA-UHFFFAOYSA-N 0 0 446.525 2.531 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CCOC(=O)c1cccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1C ZINC000013670561 556551563 /nfs/dbraw/zinc/55/15/63/556551563.db2.gz GDABCHBPUMLJBE-UHFFFAOYSA-N 0 0 434.514 2.581 40 0 IFABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1C ZINC000013672596 556552979 /nfs/dbraw/zinc/55/29/79/556552979.db2.gz HJYXYQACRYYJEW-UHFFFAOYSA-N 0 0 434.514 2.893 40 0 IFABRN CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 ZINC000013679738 556556027 /nfs/dbraw/zinc/55/60/27/556556027.db2.gz UGUIUPKYVZITCT-AWEZNQCLSA-N 0 0 430.954 2.605 40 0 IFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000013681173 556556731 /nfs/dbraw/zinc/55/67/31/556556731.db2.gz XKAISBNPMFYWSX-UHFFFAOYSA-N 0 0 430.570 2.986 40 0 IFABRN COc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)c(OC)cc1Cl ZINC000016188056 556587960 /nfs/dbraw/zinc/58/79/60/556587960.db2.gz BPTNGLYGVKFJIQ-UHFFFAOYSA-N 0 0 446.884 2.764 40 0 IFABRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000016188359 556588170 /nfs/dbraw/zinc/58/81/70/556588170.db2.gz IODRGHMREKWPQS-UHFFFAOYSA-N 0 0 432.420 2.982 40 0 IFABRN COc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl ZINC000016291336 556597991 /nfs/dbraw/zinc/59/79/91/556597991.db2.gz GMJGJDAIMROFGP-UHFFFAOYSA-N 0 0 442.921 2.933 40 0 IFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1 ZINC000016293352 556598512 /nfs/dbraw/zinc/59/85/12/556598512.db2.gz MAXZXSRPHQPXBZ-UHFFFAOYSA-N 0 0 428.514 2.578 40 0 IFABRN CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)nc1C ZINC000036631334 556599129 /nfs/dbraw/zinc/59/91/29/556599129.db2.gz WXZIEJGYDJYFKM-GFCCVEGCSA-N 0 0 440.547 2.560 40 0 IFABRN CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000016321531 556600274 /nfs/dbraw/zinc/60/02/74/556600274.db2.gz QTOJPXNKQQVFCB-UHFFFAOYSA-N 0 0 440.319 2.667 40 0 IFABRN NC(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000016479184 556611256 /nfs/dbraw/zinc/61/12/56/556611256.db2.gz OLJHLZXCPPTIPB-UHFFFAOYSA-N 0 0 437.521 2.658 40 0 IFABRN CCOC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)ccc1Cl ZINC000038752086 556615787 /nfs/dbraw/zinc/61/57/87/556615787.db2.gz GVIGBFUNRIRBJW-UHFFFAOYSA-N 0 0 439.921 2.768 40 0 IFABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c(Cl)c1 ZINC000038753861 556616813 /nfs/dbraw/zinc/61/68/13/556616813.db2.gz IWNXBTJYPNEXTD-UHFFFAOYSA-N 0 0 426.878 2.686 40 0 IFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc54)[nH]c(=O)c32)c(F)c1 ZINC000038828236 556620366 /nfs/dbraw/zinc/62/03/66/556620366.db2.gz ZXMKKCYIKWBCAH-AWEZNQCLSA-N 0 0 433.443 2.976 40 0 IFABRN CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccccc2Cl)Oc2ccccc21 ZINC000038837487 556623775 /nfs/dbraw/zinc/62/37/75/556623775.db2.gz NSSMPOBIFISTNA-GOSISDBHSA-N 0 0 440.974 2.917 40 0 IFABRN CS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccco2)Oc2ccc(Cl)cc21 ZINC000038852137 556625071 /nfs/dbraw/zinc/62/50/71/556625071.db2.gz IOMXSNQRYFLWAT-INIZCTEOSA-N 0 0 430.935 2.510 40 0 IFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc3c(c1)OCO3)O2 ZINC000038858810 556626127 /nfs/dbraw/zinc/62/61/27/556626127.db2.gz CXMVXTDFXDKQFS-HXUWFJFHSA-N 0 0 446.525 2.556 40 0 IFABRN Cc1ccc(C(=O)N2CCN3[C@@H](C2)CN(C(=O)c2ccc(Cl)cc2)C[C@@]3(C)CO)cc1 ZINC000514290126 556626200 /nfs/dbraw/zinc/62/62/00/556626200.db2.gz UAVHGEHOEIRLJZ-URXFXBBRSA-N 0 0 441.959 2.682 40 0 biogenic,in-vitro IFABRN O=C(COc1ccc(I)cc1)NC[C@H]1COc2ccccc2O1 ZINC000039448440 556629092 /nfs/dbraw/zinc/62/90/92/556629092.db2.gz AYAOHPREHWQKBJ-AWEZNQCLSA-N 0 0 425.222 2.626 40 0 IFABRN CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000039985970 556632342 /nfs/dbraw/zinc/63/23/42/556632342.db2.gz YREAWPIDOLORBV-JXMROGBWSA-N 0 0 441.597 2.863 40 0 IFABRN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OCC ZINC000016740358 556634278 /nfs/dbraw/zinc/63/42/78/556634278.db2.gz FGKOWTRGKLMJCP-UHFFFAOYSA-N 0 0 447.557 2.672 40 0 IFABRN C[C@@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(F)c2)CC(=O)N3)C1 ZINC000040388654 556636710 /nfs/dbraw/zinc/63/67/10/556636710.db2.gz CVIFACNZOVLYFR-LOWVWBTDSA-N 0 0 431.443 2.595 40 0 IFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040390623 556637410 /nfs/dbraw/zinc/63/74/10/556637410.db2.gz YSHGITFKPHSHGR-CABCVRRESA-N 0 0 439.516 2.920 40 0 IFABRN COc1ccc(C(=O)Nn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 ZINC000040391040 556637979 /nfs/dbraw/zinc/63/79/79/556637979.db2.gz HMPADKBRDWLMAA-UHFFFAOYSA-N 0 0 426.436 2.807 40 0 IFABRN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000016790338 556642773 /nfs/dbraw/zinc/64/27/73/556642773.db2.gz MUYNSBQEBNLDMB-MRXNPFEDSA-N 0 0 439.420 2.774 40 0 IFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](CC(C)C)N2CCC(C(N)=O)CC2)cc1 ZINC000082055966 556655041 /nfs/dbraw/zinc/65/50/41/556655041.db2.gz COKDJFDAWJGRRJ-GOSISDBHSA-N 0 0 434.566 2.747 40 0 IFABRN COc1ccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC ZINC000044840279 556668345 /nfs/dbraw/zinc/66/83/45/556668345.db2.gz XVSUMRDLGONSSV-ZDUSSCGKSA-N 0 0 426.922 2.828 40 0 IFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc(F)c(Cl)c1 ZINC000044847156 556669701 /nfs/dbraw/zinc/66/97/01/556669701.db2.gz DXUMTEUJWOPGDX-UHFFFAOYSA-N 0 0 436.896 2.747 40 0 IFABRN CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(OC)c(OC)c1 ZINC000044856885 556672655 /nfs/dbraw/zinc/67/26/55/556672655.db2.gz JEGFZNXASLILQX-HRAATJIYSA-N 0 0 448.541 2.807 40 0 IFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1C ZINC000044885975 556675645 /nfs/dbraw/zinc/67/56/45/556675645.db2.gz KISUJBQJANTNJG-UHFFFAOYSA-N 0 0 437.493 2.562 40 0 IFABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1N1CCCC1=O ZINC000044903648 556679049 /nfs/dbraw/zinc/67/90/49/556679049.db2.gz QOOBRPAHBPUJLS-UHFFFAOYSA-N 0 0 429.498 2.750 40 0 IFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000627801 556688454 /nfs/dbraw/zinc/68/84/54/556688454.db2.gz GCSRYIUBFIRDKF-PHJXOXRPSA-N 0 0 434.517 2.807 40 0 IFABRN O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 ZINC000000795421 556695090 /nfs/dbraw/zinc/69/50/90/556695090.db2.gz YYBWDBNHQVNJJY-MOPGFXCFSA-N 0 0 435.576 2.638 40 0 IFABRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=c2\sc3ncnn3c2=O)cc1 ZINC000047154586 556695223 /nfs/dbraw/zinc/69/52/23/556695223.db2.gz ITULAAYMYWGSGD-MFOYZWKCSA-N 0 0 426.885 2.678 40 0 IFABRN Cc1cc(O[C@H](C)C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2c(C)cc(=O)oc2c1 ZINC000137970319 556699408 /nfs/dbraw/zinc/69/94/08/556699408.db2.gz NIYUNFSVJZLKDB-FGTMMUONSA-N 0 0 434.492 2.985 40 0 IFABRN COc1ccc([C@H]2N(C(=O)c3cnn4c3nc(C)cc4C)CCC[C@]23CCC(=O)N3)cc1 ZINC000019116543 556699842 /nfs/dbraw/zinc/69/98/42/556699842.db2.gz XBDQVVVQAVUKAR-QPPBQGQZSA-N 0 0 433.512 2.981 40 0 IFABRN CC(C)C(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)Cc4ccccn4)CC3)c2c1 ZINC000019086247 556700049 /nfs/dbraw/zinc/70/00/49/556700049.db2.gz MHCIZAGJDVLZPI-UHFFFAOYSA-N 0 0 435.528 2.622 40 0 IFABRN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3cscn3)CC2)on1 ZINC000019123176 556702119 /nfs/dbraw/zinc/70/21/19/556702119.db2.gz NOLWDDREGACUHV-UHFFFAOYSA-N 0 0 440.529 2.753 40 0 IFABRN COc1ncccc1C(=O)N(C)[C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O ZINC000257335816 556706378 /nfs/dbraw/zinc/70/63/78/556706378.db2.gz YLZSINSTCORBSI-AWRGLXIESA-N 0 0 425.529 2.540 40 0 IFABRN Cc1ccnn1CCC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(N)=O)C1 ZINC000019212669 556710237 /nfs/dbraw/zinc/71/02/37/556710237.db2.gz AFAMXMFQMFXSIG-SANMLTNESA-N 0 0 446.551 2.883 40 0 IFABRN Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCN(C)Cc4ccccn4)C3)c2N)cc1 ZINC000019213191 556710770 /nfs/dbraw/zinc/71/07/70/556710770.db2.gz FLMJSSCGSJWKHC-IBGZPJMESA-N 0 0 446.555 2.711 40 0 IFABRN Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCN(C)Cc4cccnc4)C3)c2N)cc1 ZINC000019213194 556710800 /nfs/dbraw/zinc/71/08/00/556710800.db2.gz HMWUYZPGYCGNQU-HXUWFJFHSA-N 0 0 446.555 2.711 40 0 IFABRN Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)s1 ZINC000019217020 556712536 /nfs/dbraw/zinc/71/25/36/556712536.db2.gz NESGWSKUKCQGBG-GOSISDBHSA-N 0 0 449.536 2.711 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3c(C)[nH]c4cc(C)ccc43)CC2)cc1 ZINC000019219625 556714090 /nfs/dbraw/zinc/71/40/90/556714090.db2.gz SIJVYBGPTRNJKN-JOCHJYFZSA-N 0 0 443.569 2.833 40 0 IFABRN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257303201 556717335 /nfs/dbraw/zinc/71/73/35/556717335.db2.gz SGEMXIMJNSIHRG-XMMPIXPASA-N 0 0 443.551 2.814 40 0 IFABRN Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)c1 ZINC000019234719 556719054 /nfs/dbraw/zinc/71/90/54/556719054.db2.gz HHXZYLBCOHDBIM-HSZRJFAPSA-N 0 0 443.551 2.938 40 0 IFABRN Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000019239449 556724735 /nfs/dbraw/zinc/72/47/35/556724735.db2.gz YBLZJYVMYQWYCS-LAUBAEHRSA-N 0 0 447.539 2.692 40 0 IFABRN Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 ZINC000019239452 556724770 /nfs/dbraw/zinc/72/47/70/556724770.db2.gz LXRWXEYCQVRQBM-FQEVSTJZSA-N 0 0 435.528 2.526 40 0 IFABRN 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557486232 /nfs/dbraw/zinc/48/62/32/557486232.db2.gz CFVWKTICMUSPTC-LJQANCHMSA-N 0 0 445.585 2.623 40 0 IFABRN Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1I ZINC000223564874 557486788 /nfs/dbraw/zinc/48/67/88/557486788.db2.gz VUHWRNQFMBTZNQ-LSDHHAIUSA-N 0 0 442.326 2.596 40 0 IFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223583467 557488848 /nfs/dbraw/zinc/48/88/48/557488848.db2.gz BCHLIVUPMNASGU-GOSISDBHSA-N 0 0 435.524 2.925 40 0 IFABRN COc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000223591774 557489884 /nfs/dbraw/zinc/48/98/84/557489884.db2.gz LXVGKDAUOYOYND-UHFFFAOYSA-N 0 0 428.510 2.810 40 0 IFABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)cc1C(=O)NC(C)C ZINC000223599123 557490307 /nfs/dbraw/zinc/49/03/07/557490307.db2.gz PZTZULIQPVAYRV-UHFFFAOYSA-N 0 0 444.513 2.670 40 0 IFABRN CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccccc1 ZINC000223601545 557490553 /nfs/dbraw/zinc/49/05/53/557490553.db2.gz PMGXQJPMJBYYCD-UHFFFAOYSA-N 0 0 427.526 2.648 40 0 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CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1 ZINC000019591851 556827626 /nfs/dbraw/zinc/82/76/26/556827626.db2.gz KVSVMGQHFUDBFB-SANMLTNESA-N 0 0 445.519 2.957 40 0 IFABRN COCC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)C4CCCCC4)CC3)c2c1 ZINC000019593035 556829449 /nfs/dbraw/zinc/82/94/49/556829449.db2.gz MWYPKQOGTVZRFH-UHFFFAOYSA-N 0 0 428.533 2.555 40 0 IFABRN COCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@@H](c4ccccc4)C3)nc12 ZINC000019594188 556830078 /nfs/dbraw/zinc/83/00/78/556830078.db2.gz YAGZUHJCJQFFDA-LJQANCHMSA-N 0 0 433.512 2.503 40 0 IFABRN COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCCCC3)c(=O)[nH]c2c1 ZINC000006282920 556831265 /nfs/dbraw/zinc/83/12/65/556831265.db2.gz GJAZGBSYZQTJIS-WIYYLYMNSA-N 0 0 438.532 2.668 40 0 IFABRN COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000065087025 556832406 /nfs/dbraw/zinc/83/24/06/556832406.db2.gz XPNUIRLWKPDHNU-UHFFFAOYSA-N 0 0 446.569 2.854 40 0 IFABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006631810 556839497 /nfs/dbraw/zinc/83/94/97/556839497.db2.gz WVDFZVBVGUQFSK-AWEZNQCLSA-N 0 0 449.602 2.756 40 0 IFABRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C)C(=O)NC1CCCCC1 ZINC000006860568 556840011 /nfs/dbraw/zinc/84/00/11/556840011.db2.gz DNZUSKHRSAANOG-ZDUSSCGKSA-N 0 0 443.573 2.871 40 0 IFABRN COc1ccc(CCNC(=O)CSc2nc(O)c(CCC(C)C)c(=O)[nH]2)cc1OC ZINC000008677545 556844226 /nfs/dbraw/zinc/84/42/26/556844226.db2.gz DUGAITCMAKNUMW-UHFFFAOYSA-N 0 0 435.546 2.532 40 0 IFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 ZINC000019689391 556844200 /nfs/dbraw/zinc/84/42/00/556844200.db2.gz MZFPWJWDZMBZIH-IBGZPJMESA-N 0 0 429.952 2.859 40 0 IFABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)n1 ZINC000008676962 556844334 /nfs/dbraw/zinc/84/43/34/556844334.db2.gz GZVMDVGWBCXIBT-UHFFFAOYSA-N 0 0 432.531 2.572 40 0 IFABRN O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1ccco1)Nc1nccs1 ZINC000008680661 556844523 /nfs/dbraw/zinc/84/45/23/556844523.db2.gz ZITZNSVPEILOKD-UHFFFAOYSA-N 0 0 426.498 2.800 40 0 IFABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)n1 ZINC000019690072 556845404 /nfs/dbraw/zinc/84/54/04/556845404.db2.gz BADQGTRWWPNCOI-SFHVURJKSA-N 0 0 438.919 2.934 40 0 IFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)n1 ZINC000019690132 556845467 /nfs/dbraw/zinc/84/54/67/556845467.db2.gz LRARIQWOMAVKQI-SFHVURJKSA-N 0 0 438.919 2.934 40 0 IFABRN Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)Cn3c4ccccc4n(C)c3=O)CC2)n1 ZINC000019692115 556848122 /nfs/dbraw/zinc/84/81/22/556848122.db2.gz OHGOGWWKWBRNTD-UHFFFAOYSA-N 0 0 442.523 2.907 40 0 IFABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)o1 ZINC000019693980 556848912 /nfs/dbraw/zinc/84/89/12/556848912.db2.gz XNTRYQODZILAMY-SFHVURJKSA-N 0 0 448.527 2.933 40 0 IFABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000019694597 556850537 /nfs/dbraw/zinc/85/05/37/556850537.db2.gz GIXAMZRZJJSJAI-QGZVFWFLSA-N 0 0 433.553 2.869 40 0 IFABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 ZINC000008964410 556851789 /nfs/dbraw/zinc/85/17/89/556851789.db2.gz YYBWDBNHQVNJJY-RBUKOAKNSA-N 0 0 435.576 2.638 40 0 IFABRN Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(C(=O)c1cccnc1)C2 ZINC000019695748 556852455 /nfs/dbraw/zinc/85/24/55/556852455.db2.gz PHMVRJHCNGJVLK-FQEVSTJZSA-N 0 0 446.486 2.534 40 0 IFABRN Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccc1F)CN(C(=O)COc1ccc(F)cc1)C2 ZINC000019696307 556853246 /nfs/dbraw/zinc/85/32/46/556853246.db2.gz HHNYMLIUXJALAU-IBGZPJMESA-N 0 0 440.450 2.520 40 0 IFABRN Cn1cc2c(n1)[C@H](C(=O)NCc1ccccc1F)CN(C(=O)COc1ccc(F)cc1)C2 ZINC000019696306 556853260 /nfs/dbraw/zinc/85/32/60/556853260.db2.gz HHNYMLIUXJALAU-LJQANCHMSA-N 0 0 440.450 2.520 40 0 IFABRN CN(C)C(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCO1 ZINC000019696772 556853762 /nfs/dbraw/zinc/85/37/62/556853762.db2.gz NQFWXCFNAQRNLO-MRXNPFEDSA-N 0 0 439.541 2.673 40 0 IFABRN CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(C(=O)COC)CC2)n1 ZINC000019697366 556854458 /nfs/dbraw/zinc/85/44/58/556854458.db2.gz CSRKDABOCZAHRK-INIZCTEOSA-N 0 0 441.507 2.530 40 0 IFABRN COc1cccc(C(=O)N2CCC(c3nc([C@H]4CC(=O)N(C)C4)cc(N(C)C)n3)CC2)c1 ZINC000019697485 556854661 /nfs/dbraw/zinc/85/46/61/556854661.db2.gz CFIDOVCPUVNUIJ-SFHVURJKSA-N 0 0 437.544 2.517 40 0 IFABRN NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CCCNc2ncccn2)CCO1 ZINC000019697539 556854780 /nfs/dbraw/zinc/85/47/80/556854780.db2.gz PNALGQVFDAXPQD-HNNXBMFYSA-N 0 0 425.514 2.582 40 0 IFABRN COc1cccc(C(=O)N2CCO[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)c1 ZINC000019697881 556855768 /nfs/dbraw/zinc/85/57/68/556855768.db2.gz JVSUXDIKDALTOU-SFHVURJKSA-N 0 0 440.521 2.846 40 0 IFABRN Cc1nonc1NC(=O)CN1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698386 556856494 /nfs/dbraw/zinc/85/64/94/556856494.db2.gz RTZMBBMWTZDSLV-HXUWFJFHSA-N 0 0 441.507 2.773 40 0 IFABRN CCn1ccc(C(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)n1 ZINC000019698617 556857217 /nfs/dbraw/zinc/85/72/17/556857217.db2.gz QTWHGYDIZVSYFT-UHFFFAOYSA-N 0 0 448.527 2.762 40 0 IFABRN CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O ZINC000019699757 556859733 /nfs/dbraw/zinc/85/97/33/556859733.db2.gz OJRKXRZKBGUADB-IBGZPJMESA-N 0 0 446.592 2.661 40 0 IFABRN Cn1cc2c(n1)[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)C1CCCC1)C2 ZINC000019701287 556861477 /nfs/dbraw/zinc/86/14/77/556861477.db2.gz NXNGUJYOLMUZOY-NRFANRHFSA-N 0 0 439.535 2.524 40 0 IFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(c2nc(C)c3c(n2)N(C)CCC3)CC1 ZINC000019705692 556862702 /nfs/dbraw/zinc/86/27/02/556862702.db2.gz WBDCORSGGTUCEO-UHFFFAOYSA-N 0 0 434.537 2.883 40 0 IFABRN O=C(COC[C@@H]1CCCO1)N1CCC(c2ccc(C(=O)Nc3nccs3)cn2)CC1 ZINC000019705822 556863268 /nfs/dbraw/zinc/86/32/68/556863268.db2.gz UNJQNOJCPAXLDY-KRWDZBQOSA-N 0 0 430.530 2.692 40 0 IFABRN CN1CCN(C(=O)c2ccc([C@@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)nc2)CC1 ZINC000019705925 556863545 /nfs/dbraw/zinc/86/35/45/556863545.db2.gz XMLJHYPAESQIBP-OAQYLSRUSA-N 0 0 438.547 2.947 40 0 IFABRN Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CCCN2CC1CC1 ZINC000019706271 556864454 /nfs/dbraw/zinc/86/44/54/556864454.db2.gz DVXXLVKWHXSNGD-GOSISDBHSA-N 0 0 430.578 2.597 40 0 IFABRN Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019706551 556864696 /nfs/dbraw/zinc/86/46/96/556864696.db2.gz HLYRZYRIARBCMW-HXUWFJFHSA-N 0 0 443.617 2.766 40 0 IFABRN CNc1nc([C@@H]2CCCN2C(=O)c2c(C)onc2C(C)C)nc2c1CCN(C(C)=O)C2 ZINC000019707483 556867475 /nfs/dbraw/zinc/86/74/75/556867475.db2.gz YAFYPUPGIUKQCI-KRWDZBQOSA-N 0 0 426.521 2.820 40 0 IFABRN CNc1nc([C@H]2CCCCN2C(=O)c2sc(C)nc2C)nc2c1CCN(C(C)=O)C2 ZINC000019708571 556869500 /nfs/dbraw/zinc/86/95/00/556869500.db2.gz WUXZDXPZFCRURJ-QGZVFWFLSA-N 0 0 428.562 2.864 40 0 IFABRN CNc1nc([C@@H]2CCCCN2C(=O)c2ccc(COC)cc2)nc2c1CCN(C(C)=O)C2 ZINC000019708645 556869558 /nfs/dbraw/zinc/86/95/58/556869558.db2.gz XVIIMBNQPYAVET-NRFANRHFSA-N 0 0 437.544 2.937 40 0 IFABRN CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CCN(C)C2 ZINC000019708833 556870396 /nfs/dbraw/zinc/87/03/96/556870396.db2.gz ZEEKQCPVVCBCPT-KRWDZBQOSA-N 0 0 429.590 2.691 40 0 IFABRN CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CCN(C)C2 ZINC000019708831 556870410 /nfs/dbraw/zinc/87/04/10/556870410.db2.gz ARSBRTYFIGMSAJ-HNNXBMFYSA-N 0 0 433.553 2.522 40 0 IFABRN CNc1nc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc2c1CCN(C)C2 ZINC000019708808 556870438 /nfs/dbraw/zinc/87/04/38/556870438.db2.gz WAEGJSQHYXLXFA-LJQANCHMSA-N 0 0 449.599 2.961 40 0 IFABRN CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2 ZINC000019708828 556870484 /nfs/dbraw/zinc/87/04/84/556870484.db2.gz PWUIBYJANIRAEN-QGZVFWFLSA-N 0 0 437.544 2.760 40 0 IFABRN CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)COc2ccccc2F)n1 ZINC000019709932 556871638 /nfs/dbraw/zinc/87/16/38/556871638.db2.gz VYPZTQJXGWRJGC-IBGZPJMESA-N 0 0 443.523 2.793 40 0 IFABRN CC(=O)N1CCC(c2nc3c(c(N(C)CCOc4ccccc4F)n2)CN(C)CC3)CC1 ZINC000019710447 556873084 /nfs/dbraw/zinc/87/30/84/556873084.db2.gz LMDIHQPQUJGVKR-UHFFFAOYSA-N 0 0 441.551 2.845 40 0 IFABRN Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000019739443 556877843 /nfs/dbraw/zinc/87/78/43/556877843.db2.gz XGGZUJFBCCSIEE-KRWDZBQOSA-N 0 0 446.548 2.585 40 0 IFABRN CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 ZINC000019739449 556877847 /nfs/dbraw/zinc/87/78/47/556877847.db2.gz DMFDQOJNFVRWRR-IBGZPJMESA-N 0 0 442.585 2.836 40 0 IFABRN COc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1OC ZINC000019739462 556878157 /nfs/dbraw/zinc/87/81/57/556878157.db2.gz VWXUXMIEUOERJT-QGZVFWFLSA-N 0 0 438.528 2.660 40 0 IFABRN Cc1nc(C2CCN(CC(=O)N(C)C)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019739515 556878314 /nfs/dbraw/zinc/87/83/14/556878314.db2.gz USRVLVTTWAVIBH-UHFFFAOYSA-N 0 0 435.572 2.575 40 0 IFABRN Cc1nonc1C(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 ZINC000019739549 556878390 /nfs/dbraw/zinc/87/83/90/556878390.db2.gz GLTPCOKVJUDAPJ-UHFFFAOYSA-N 0 0 446.511 2.976 40 0 IFABRN Cc1nonc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019740598 556880774 /nfs/dbraw/zinc/88/07/74/556880774.db2.gz ATLZJLQSAWQEEU-IBGZPJMESA-N 0 0 446.511 2.976 40 0 IFABRN Cc1nc([C@H]2CCCN(CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741253 556883150 /nfs/dbraw/zinc/88/31/50/556883150.db2.gz ZIFVEUQOTSIYQN-NRFANRHFSA-N 0 0 449.599 2.965 40 0 IFABRN Cc1nc([C@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741543 556883995 /nfs/dbraw/zinc/88/39/95/556883995.db2.gz SDXMQDOGLMPAGT-SFHVURJKSA-N 0 0 441.576 2.616 40 0 IFABRN Cn1cc(C(=O)N2CCC[C@@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)ccc1=O ZINC000019743288 556887703 /nfs/dbraw/zinc/88/77/03/556887703.db2.gz GHFYLZUEOFKOHY-QGZVFWFLSA-N 0 0 440.507 2.993 40 0 IFABRN COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(C(=O)CC2CCCC2)CC1 ZINC000019743558 556888243 /nfs/dbraw/zinc/88/82/43/556888243.db2.gz QHSXZZFYDMKJBR-UHFFFAOYSA-N 0 0 427.549 2.587 40 0 IFABRN Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)CC3CCCC3)nc2n(C)c1=O ZINC000019743647 556888545 /nfs/dbraw/zinc/88/85/45/556888545.db2.gz WFIAGBUUPOLYPV-HNNXBMFYSA-N 0 0 438.450 2.895 40 0 IFABRN COc1cccc(CN2C(=O)Cc3c2nc([C@@H]2CCCN2C(=O)C(C)(C)OC)nc3C)c1 ZINC000019744225 556890248 /nfs/dbraw/zinc/89/02/48/556890248.db2.gz HDSIOFAOGXRQBE-IBGZPJMESA-N 0 0 438.528 2.971 40 0 IFABRN Cc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)nc2c1CC(=O)N2Cc1ccccc1 ZINC000019744347 556890458 /nfs/dbraw/zinc/89/04/58/556890458.db2.gz APCBMCVMHWFQMU-HXUWFJFHSA-N 0 0 443.507 2.550 40 0 IFABRN Cc1nc([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2CCc1ccc(F)cc1 ZINC000019744294 556890527 /nfs/dbraw/zinc/89/05/27/556890527.db2.gz NMOOFLCYVAEPMA-LJQANCHMSA-N 0 0 448.502 2.767 40 0 IFABRN Cc1nn(-c2ccccn2)c2nc(C3CCN(C(=O)[C@@H](C)N4CCCC4=O)CC3)ccc12 ZINC000019744626 556890998 /nfs/dbraw/zinc/89/09/98/556890998.db2.gz YWNUNTWHPKGXTQ-QGZVFWFLSA-N 0 0 432.528 2.841 40 0 IFABRN CN(C)S(=O)(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 ZINC000019745099 556891801 /nfs/dbraw/zinc/89/18/01/556891801.db2.gz 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568692581 /nfs/dbraw/zinc/69/25/81/568692581.db2.gz KXDGJKGKHILPFU-RUZDIDTESA-N 0 0 439.531 2.866 40 0 IFABRN CC(C)c1nnc(CCC(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@@H]34)c2)o1 ZINC000257259139 568692727 /nfs/dbraw/zinc/69/27/27/568692727.db2.gz KXAYOBLDSZYQGL-LRQRDZAKSA-N 0 0 427.505 2.549 40 0 IFABRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)CC=CCN(CCc1ccccc1)C2=O ZINC000257259835 568692956 /nfs/dbraw/zinc/69/29/56/568692956.db2.gz LAGOUVITXFKCPX-UHFFFAOYSA-N 0 0 442.585 2.829 40 0 IFABRN CCn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 ZINC000257260808 568693534 /nfs/dbraw/zinc/69/35/34/568693534.db2.gz LELSINYGBOXUFM-INIZCTEOSA-N 0 0 448.574 2.877 40 0 IFABRN O=C(CNC(=O)c1cncc(O)c1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257262522 568694490 /nfs/dbraw/zinc/69/44/90/568694490.db2.gz LLTBDQQIHFUBSK-INIZCTEOSA-N 0 0 438.459 2.641 40 0 IFABRN COc1ccc(NC(C)=O)c(NC(=O)CN2CCC[C@@]3(C)[C@H]2CCCCN3C(C)=O)c1 ZINC000257266278 568695870 /nfs/dbraw/zinc/69/58/70/568695870.db2.gz 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568859109 /nfs/dbraw/zinc/85/91/09/568859109.db2.gz JNQIYUSDRQOZJS-CYBMUJFWSA-N 0 0 447.285 2.993 40 0 IFABRN CCOc1cc([C@H]2C(C(=O)OC)C(C)=Nc3nnnn32)cc(Br)c1OCC ZINC000027563778 568863994 /nfs/dbraw/zinc/86/39/94/568863994.db2.gz ZZXQOFCISAHRIP-AWEZNQCLSA-N 0 0 438.282 2.695 40 0 IFABRN COc1ccc(C2=NN(C(=O)CCN3CCOCC3)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019537516 568894607 /nfs/dbraw/zinc/89/46/07/568894607.db2.gz VWFMYXJHRZRHJG-JOCHJYFZSA-N 0 0 433.512 2.972 40 0 IFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000000814581 568897686 /nfs/dbraw/zinc/89/76/86/568897686.db2.gz NSPZUAJXUJCQBA-UHFFFAOYSA-N 0 0 434.514 2.752 40 0 IFABRN Cn1c2nnc(CNc3ccccc3C(=O)NCc3ccco3)n2c2ccccc2c1=O ZINC000017524700 569189612 /nfs/dbraw/zinc/18/96/12/569189612.db2.gz NHKSHRNAXNPQJO-UHFFFAOYSA-N 0 0 428.452 2.716 40 0 IFABRN C[C@H](C(=O)N1CC[C@@H](c2ccccc2)C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 ZINC000253374436 569208516 /nfs/dbraw/zinc/20/85/16/569208516.db2.gz MIFNXXLMGPXENM-YMJPAYASSA-N 0 0 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569229651 /nfs/dbraw/zinc/22/96/51/569229651.db2.gz CDWAWAIILJHQPL-OAHLLOKOSA-N 0 0 442.541 2.836 40 0 IFABRN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCN(C(=O)C(C)(C)O)C4)nc32)c1 ZINC000019695947 569229652 /nfs/dbraw/zinc/22/96/52/569229652.db2.gz CYDDPVLRAZNCKZ-LJQANCHMSA-N 0 0 436.556 2.702 40 0 IFABRN COc1ccccc1OCC(=O)N1CCO[C@@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000019696767 569229812 /nfs/dbraw/zinc/22/98/12/569229812.db2.gz FDGGAZCXRJZCDA-QGZVFWFLSA-N 0 0 426.494 2.988 40 0 IFABRN COCCN1Cc2cccc(C(=O)Nc3cccc([C@@H]4CCc5nncn5C4)c3)c2C1=O ZINC000019699068 569230281 /nfs/dbraw/zinc/23/02/81/569230281.db2.gz PGAWEPBTEKWADB-QGZVFWFLSA-N 0 0 431.496 2.863 40 0 IFABRN CN(C)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000019700319 569231182 /nfs/dbraw/zinc/23/11/82/569231182.db2.gz SUJAIWFTMMQZOL-UHFFFAOYSA-N 0 0 445.523 2.798 40 0 IFABRN CCn1cc(S(=O)(=O)N2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c(C)n1 ZINC000019702292 569231927 /nfs/dbraw/zinc/23/19/27/569231927.db2.gz 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569234382 /nfs/dbraw/zinc/23/43/82/569234382.db2.gz BACOCEXWQROLRE-INIZCTEOSA-N 0 0 444.474 2.928 40 0 IFABRN Cc1nn2c(nccc2[C@@H]2CCN(C(=O)COc3c(C)cccc3C)C2)c1Cn1cncn1 ZINC000019707651 569234437 /nfs/dbraw/zinc/23/44/37/569234437.db2.gz NKWZISMNFNBINA-LJQANCHMSA-N 0 0 445.527 2.689 40 0 IFABRN Cc1nn2c(nccc2[C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)c1Cn1ccnc1C ZINC000019707660 569234445 /nfs/dbraw/zinc/23/44/45/569234445.db2.gz JIRGCJANAJYWPL-IBGZPJMESA-N 0 0 436.560 2.992 40 0 IFABRN Cc1nn2c(nccc2[C@H]2CCN(C(=O)COc3ccccc3)C2)c1Cn1ccnc1C ZINC000019707971 569234638 /nfs/dbraw/zinc/23/46/38/569234638.db2.gz PSYWNTLKHHODQU-IBGZPJMESA-N 0 0 430.512 2.986 40 0 IFABRN O=C(CCCOc1ccccc1F)N1CC[C@@H](c2ncccc2C(=O)N2CCOCC2)C1 ZINC000019707928 569234657 /nfs/dbraw/zinc/23/46/57/569234657.db2.gz ZMIKIQLCFUIWAN-GOSISDBHSA-N 0 0 441.503 2.868 40 0 IFABRN Cc1c(C(=O)N2CC[C@H](c3nc(C)c4c(n3)N(Cc3ccccc3)C(=O)CC4)C2)cnn1C ZINC000019738868 569236189 /nfs/dbraw/zinc/23/61/89/569236189.db2.gz BAIWFTJAVIDQTP-IBGZPJMESA-N 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ZINC000019765938 569239041 /nfs/dbraw/zinc/23/90/41/569239041.db2.gz VSYUSPQDYOFVJZ-SFHVURJKSA-N 0 0 436.556 2.954 40 0 IFABRN Cc1nc([C@@H]2CCN(C(=O)CN(C)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766110 569239151 /nfs/dbraw/zinc/23/91/51/569239151.db2.gz LDFFAWSBSRXRPZ-LJQANCHMSA-N 0 0 444.539 2.880 40 0 IFABRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)Nc1ccc(Cl)cc1 ZINC000025100115 569241935 /nfs/dbraw/zinc/24/19/35/569241935.db2.gz FBNJKLJUQPOVNJ-INIZCTEOSA-N 0 0 442.855 2.911 40 0 IFABRN CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)Oc2ccccc21 ZINC000026112690 569242180 /nfs/dbraw/zinc/24/21/80/569242180.db2.gz JYYRFSDBXSCCQV-FQEVSTJZSA-N 0 0 449.960 2.606 40 0 IFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Br)cc1OC ZINC000033407897 569244007 /nfs/dbraw/zinc/24/40/07/569244007.db2.gz ZLHAGRLTVMOQTD-NSHDSACASA-N 0 0 443.319 2.772 40 0 IFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC ZINC000033422915 569244021 /nfs/dbraw/zinc/24/40/21/569244021.db2.gz 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