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)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cnc(C)nc4)o3)CC2)cc1	ZINC000216637514	557149888	/nfs/dbraw/zinc/14/98/88/557149888.db2.gz	UEVFXQXLGYWUJP-UHFFFAOYSA-N	0	0	442.501	2.362	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1OC	ZINC000216657049	557150870	/nfs/dbraw/zinc/15/08/70/557150870.db2.gz	RSDNBQMSJHLVNN-AWEZNQCLSA-N	0	0	445.501	2.421	40	70		IEIBRN
CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216854477	557157366	/nfs/dbraw/zinc/15/73/66/557157366.db2.gz	MPVDMUKMJRJVBY-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216857580	557157755	/nfs/dbraw/zinc/15/77/55/557157755.db2.gz	YKXSNPNBQOQOQH-UHFFFAOYSA-N	0	0	430.530	2.142	40	70		IEIBRN
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1OC	ZINC000216861343	557158533	/nfs/dbraw/zinc/15/85/33/557158533.db2.gz	MHUFGQIUNBHYOI-UHFFFAOYSA-N	0	0	433.530	2.201	40	70		IEIBRN
COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216859831	557158651	/nfs/dbraw/zinc/15/86/51/557158651.db2.gz	GJXYOJKHDPAJFG-UHFFFAOYSA-N	0	0	431.558	2.212	40	70		IEIBRN
CCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216868249	557159728	/nfs/dbraw/zinc/15/97/28/557159728.db2.gz	MDEVSXWSVPSYMZ-UHFFFAOYSA-N	0	0	445.585	2.384	40	70		IEIBRN
Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216868387	557160084	/nfs/dbraw/zinc/16/00/84/557160084.db2.gz	IQXUVKNIIBKNAM-SFHVURJKSA-N	0	0	431.558	2.128	40	70		IEIBRN
COc1cccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	ZINC000216887200	557161703	/nfs/dbraw/zinc/16/17/03/557161703.db2.gz	OMJXIJOATZCZFD-UHFFFAOYSA-N	0	0	445.585	2.135	40	70		IEIBRN
CCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216887731	557162133	/nfs/dbraw/zinc/16/21/33/557162133.db2.gz	QFPLVMMZXSBUTN-UHFFFAOYSA-N	0	0	431.558	2.093	40	70		IEIBRN
CC(C)N1C[C@@H](C(=O)Nc2ccc(N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)nc2)CC1=O	ZINC000217550396	557170977	/nfs/dbraw/zinc/17/09/77/557170977.db2.gz	NUZLRYPBJIZZFN-KSZLIROESA-N	0	0	435.528	2.062	40	70		IEIBRN
CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217936241	557175129	/nfs/dbraw/zinc/17/51/29/557175129.db2.gz	PHWAKMMQCNVRPB-RCCFBDPRSA-N	0	0	427.574	2.435	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)cc1	ZINC000218229794	557183412	/nfs/dbraw/zinc/18/34/12/557183412.db2.gz	WPCWYUJHJZNWGU-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)c1	ZINC000218228897	557183515	/nfs/dbraw/zinc/18/35/15/557183515.db2.gz	SPWKEXZLFGRMAS-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)n2)c1	ZINC000218239231	557183928	/nfs/dbraw/zinc/18/39/28/557183928.db2.gz	BFBHFAACQWBBCO-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1cccc(N(CC(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1	ZINC000218255104	557185187	/nfs/dbraw/zinc/18/51/87/557185187.db2.gz	RWJHFMNQBJIYHI-UHFFFAOYSA-N	0	0	436.515	2.231	40	70		IEIBRN
CCOc1ccccc1N(CC(=O)NCc1nc(-c2cccs2)no1)S(C)(=O)=O	ZINC000218257852	557185366	/nfs/dbraw/zinc/18/53/66/557185366.db2.gz	XSOCAZZZPPGMSR-UHFFFAOYSA-N	0	0	436.515	2.279	40	70		IEIBRN
COc1ccc(N(CC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1	ZINC000218256568	557185391	/nfs/dbraw/zinc/18/53/91/557185391.db2.gz	ATABRZFXJHGBPI-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1ccc(C)cc1N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)S(C)(=O)=O	ZINC000218267702	557186392	/nfs/dbraw/zinc/18/63/92/557186392.db2.gz	WCHKRLGDISQHCX-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(Oc2ccccc2)cc1	ZINC000218273845	557186891	/nfs/dbraw/zinc/18/68/91/557186891.db2.gz	ZZUUAYANAWPKAL-UHFFFAOYSA-N	0	0	447.557	2.083	40	70		IEIBRN
COc1ccccc1N(CC(=O)N(C)Cc1nc(-c2cccs2)no1)S(C)(=O)=O	ZINC000218312360	557192481	/nfs/dbraw/zinc/19/24/81/557192481.db2.gz	CJUILDMWIKXXDI-UHFFFAOYSA-N	0	0	436.515	2.231	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1	ZINC000218339080	557193600	/nfs/dbraw/zinc/19/36/00/557193600.db2.gz	LKJGZJXISGNYDR-UHFFFAOYSA-N	0	0	430.486	2.413	40	70		IEIBRN
CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc2c(c1)OCCO2	ZINC000218428698	557198946	/nfs/dbraw/zinc/19/89/46/557198946.db2.gz	XQCDIGKCXQJWQE-UHFFFAOYSA-N	0	0	436.555	2.273	40	70		IEIBRN
CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	ZINC000218427261	557199014	/nfs/dbraw/zinc/19/90/14/557199014.db2.gz	WOFWTFKDDHRPFQ-UHFFFAOYSA-N	0	0	434.470	2.039	40	70		IEIBRN
COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1	ZINC000218434580	557199322	/nfs/dbraw/zinc/19/93/22/557199322.db2.gz	FSRVDSSPIBJWEN-CYBMUJFWSA-N	0	0	428.457	2.323	40	70		IEIBRN
CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1	ZINC000218483270	557202381	/nfs/dbraw/zinc/20/23/81/557202381.db2.gz	LLMMOMFJTCBUJL-ZDUSSCGKSA-N	0	0	446.953	2.305	40	70		IEIBRN
COc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1	ZINC000218520415	557205544	/nfs/dbraw/zinc/20/55/44/557205544.db2.gz	SUIVGHSTUUYHAF-UHFFFAOYSA-N	0	0	432.542	2.387	40	70		IEIBRN
Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1S(=O)(=O)N1CCOCC1	ZINC000218522186	557205578	/nfs/dbraw/zinc/20/55/78/557205578.db2.gz	SWXCLLQLTIEPPO-UHFFFAOYSA-N	0	0	448.526	2.057	40	70		IEIBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cnc(C)nc4)o3)C2)c1	ZINC000216657108	557150845	/nfs/dbraw/zinc/15/08/45/557150845.db2.gz	SQOVTJFXSVLKEH-CQSZACIVSA-N	0	0	445.501	2.421	40	70		IEIBRN
CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccccc3I)no2)C1	ZINC000216671931	557151497	/nfs/dbraw/zinc/15/14/97/557151497.db2.gz	XHQANMWNEJWZTI-JTQLQIEISA-N	0	0	433.271	2.480	40	70		IEIBRN
COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216856096	557157662	/nfs/dbraw/zinc/15/76/62/557157662.db2.gz	QGFMAMACKSBHDC-UHFFFAOYSA-N	0	0	445.541	2.278	40	70		IEIBRN
COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216865073	557159269	/nfs/dbraw/zinc/15/92/69/557159269.db2.gz	IAVWOIMMHZGXHU-QGZVFWFLSA-N	0	0	431.558	2.431	40	70		IEIBRN
COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1OC	ZINC000216882541	557161134	/nfs/dbraw/zinc/16/11/34/557161134.db2.gz	GHBXNZXDLOAWJT-UHFFFAOYSA-N	0	0	433.530	2.033	40	70		IEIBRN
COC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1C	ZINC000216885227	557161712	/nfs/dbraw/zinc/16/17/12/557161712.db2.gz	GBCNLXHVRCSNEI-UHFFFAOYSA-N	0	0	445.541	2.111	40	70		IEIBRN
Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216889766	557162147	/nfs/dbraw/zinc/16/21/47/557162147.db2.gz	CDJVOIPWKLFHFA-IBGZPJMESA-N	0	0	445.585	2.270	40	70		IEIBRN
Cc1cccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	ZINC000216887496	557162152	/nfs/dbraw/zinc/16/21/52/557162152.db2.gz	JGALGLPSZYQMJW-UHFFFAOYSA-N	0	0	429.586	2.435	40	70		IEIBRN
Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216889858	557162392	/nfs/dbraw/zinc/16/23/92/557162392.db2.gz	HGYHBQZAHXGBET-IBGZPJMESA-N	0	0	445.585	2.270	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)n2)cc1	ZINC000218234356	557183810	/nfs/dbraw/zinc/18/38/10/557183810.db2.gz	IYXUCWGWTQVPSY-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1cccc(N(CC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)c1	ZINC000218255028	557185172	/nfs/dbraw/zinc/18/51/72/557185172.db2.gz	CBXMHEAGVJCLKX-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1	ZINC000218267034	557185988	/nfs/dbraw/zinc/18/59/88/557185988.db2.gz	HNKGYSFQHXXADX-MRXNPFEDSA-N	0	0	436.530	2.362	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)n2)c1	ZINC000218265997	557186045	/nfs/dbraw/zinc/18/60/45/557186045.db2.gz	RBISSULQCHNLTL-UHFFFAOYSA-N	0	0	448.476	2.309	40	70		IEIBRN
COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	ZINC000218275617	557186989	/nfs/dbraw/zinc/18/69/89/557186989.db2.gz	ZGOVEGBAAIXQDB-HOTGVXAUSA-N	0	0	436.530	2.442	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)n2)cc1	ZINC000218290899	557188807	/nfs/dbraw/zinc/18/88/07/557188807.db2.gz	DIVFTNWOJPQPBI-AWEZNQCLSA-N	0	0	430.486	2.216	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OC)c1	ZINC000218405473	557197134	/nfs/dbraw/zinc/19/71/34/557197134.db2.gz	YAYQBFKCCSVMNF-UHFFFAOYSA-N	0	0	446.485	2.398	40	70		IEIBRN
CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc2c(c1)OCCO2	ZINC000218430662	557199375	/nfs/dbraw/zinc/19/93/75/557199375.db2.gz	AAOPTFRZWIKVMJ-UHFFFAOYSA-N	0	0	428.576	2.406	40	70		IEIBRN
COc1cc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc(OC)c1OC	ZINC000218459470	557200834	/nfs/dbraw/zinc/20/08/34/557200834.db2.gz	SQKPFOBSMJDPLF-ZDUSSCGKSA-N	0	0	440.493	2.322	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)n2)cc1	ZINC000218463964	557201106	/nfs/dbraw/zinc/20/11/06/557201106.db2.gz	MMFRNSBOIGOWFK-ZDUSSCGKSA-N	0	0	448.476	2.355	40	70		IEIBRN
CCOC(=O)N1CCN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1	ZINC000218561260	557207547	/nfs/dbraw/zinc/20/75/47/557207547.db2.gz	SFPSMWSEAFYMGY-UHFFFAOYSA-N	0	0	425.551	2.051	40	70		IEIBRN
COc1ccc(OC[C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1	ZINC000218628529	557211095	/nfs/dbraw/zinc/21/10/95/557211095.db2.gz	TUFUROKLPAJWLW-KRWDZBQOSA-N	0	0	448.541	2.222	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN(C)c3ccccc3)C2)cc1	ZINC000218774976	557215296	/nfs/dbraw/zinc/21/52/96/557215296.db2.gz	INLJOOBTFATIKF-GOSISDBHSA-N	0	0	431.558	2.349	40	70		IEIBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nnc(-c4cncnc4C)o3)CC2)c1	ZINC000216638384	557149908	/nfs/dbraw/zinc/14/99/08/557149908.db2.gz	FVILBRURVJNRIS-UHFFFAOYSA-N	0	0	445.501	2.421	40	70		IEIBRN
CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216785095	557153837	/nfs/dbraw/zinc/15/38/37/557153837.db2.gz	PEOUXGCFVYLBQH-UHFFFAOYSA-N	0	0	433.530	2.282	40	70		IEIBRN
COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216785677	557153873	/nfs/dbraw/zinc/15/38/73/557153873.db2.gz	XSFUXRIDFCUBHJ-UHFFFAOYSA-N	0	0	431.514	2.086	40	70		IEIBRN
COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216796909	557155620	/nfs/dbraw/zinc/15/56/20/557155620.db2.gz	JXVWRBLXIYNOSE-VAWYXSNFSA-N	0	0	445.541	2.292	40	70		IEIBRN
Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216858165	557158103	/nfs/dbraw/zinc/15/81/03/557158103.db2.gz	BQHWJVFGSDDTRB-UHFFFAOYSA-N	0	0	433.549	2.433	40	70		IEIBRN
COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	ZINC000216865690	557159291	/nfs/dbraw/zinc/15/92/91/557159291.db2.gz	PUIBCIVRWNVXRX-UHFFFAOYSA-N	0	0	431.558	2.212	40	70		IEIBRN
COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216865098	557159351	/nfs/dbraw/zinc/15/93/51/557159351.db2.gz	IAVWOIMMHZGXHU-KRWDZBQOSA-N	0	0	431.558	2.431	40	70		IEIBRN
Cc1ccc(OC[C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216865976	557159392	/nfs/dbraw/zinc/15/93/92/557159392.db2.gz	LNGAKVWPQJMMIF-IBGZPJMESA-N	0	0	445.585	2.437	40	70		IEIBRN
COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216869809	557160148	/nfs/dbraw/zinc/16/01/48/557160148.db2.gz	VPIORVUFRKMUFS-UHFFFAOYSA-N	0	0	437.949	2.215	40	70		IEIBRN
COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1	ZINC000216876079	557160861	/nfs/dbraw/zinc/16/08/61/557160861.db2.gz	OGQHXKLZJQVDSE-UHFFFAOYSA-N	0	0	437.949	2.215	40	70		IEIBRN
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCOC3CCCC3)c2)CC1	ZINC000216881064	557161251	/nfs/dbraw/zinc/16/12/51/557161251.db2.gz	HLEFGGLVPAZBAT-UHFFFAOYSA-N	0	0	443.997	2.355	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)CN(c3ccccc3)S(C)(=O)=O)n2)c1	ZINC000218227171	557183133	/nfs/dbraw/zinc/18/31/33/557183133.db2.gz	HTVUHRWHMPDKNT-UHFFFAOYSA-N	0	0	430.486	2.170	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)cc1	ZINC000218229007	557183481	/nfs/dbraw/zinc/18/34/81/557183481.db2.gz	SLCJCSLDEYUSQS-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)n2)c1	ZINC000218235035	557183698	/nfs/dbraw/zinc/18/36/98/557183698.db2.gz	OZFWJDVOTSHJHR-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
CCc1ccccc1N(CC(=O)NCc1nc(-c2ccc(OC)cc2)no1)S(C)(=O)=O	ZINC000218246051	557184572	/nfs/dbraw/zinc/18/45/72/557184572.db2.gz	CYRNMEZGJDECRR-UHFFFAOYSA-N	0	0	444.513	2.390	40	70		IEIBRN
COc1cccc(N(CC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)c1	ZINC000218254443	557185218	/nfs/dbraw/zinc/18/52/18/557185218.db2.gz	KBYGRMFGOKKWDV-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1ccc(N(CC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)cc1	ZINC000218256623	557185478	/nfs/dbraw/zinc/18/54/78/557185478.db2.gz	OMPXYKPJUSVQCA-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1ccc(C)cc1N(CC(=O)NCc1nc(-c2cccc(C)c2)no1)S(C)(=O)=O	ZINC000218267407	557186087	/nfs/dbraw/zinc/18/60/87/557186087.db2.gz	LWYFJRGSVWQHIY-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
Cc1ccccc1CN(c1ccc(C(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O	ZINC000218331450	557193447	/nfs/dbraw/zinc/19/34/47/557193447.db2.gz	XQFSFQLLUOBETI-UHFFFAOYSA-N	0	0	445.585	2.413	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1	ZINC000218345755	557193888	/nfs/dbraw/zinc/19/38/88/557193888.db2.gz	FOEWEFQXBYQWKW-UHFFFAOYSA-N	0	0	430.486	2.413	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)n2)c1	ZINC000218463699	557201100	/nfs/dbraw/zinc/20/11/00/557201100.db2.gz	VUNNZEJLRFMRJH-CYBMUJFWSA-N	0	0	448.476	2.355	40	70		IEIBRN
COc1ccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1	ZINC000218628448	557210683	/nfs/dbraw/zinc/21/06/83/557210683.db2.gz	TUFUROKLPAJWLW-QGZVFWFLSA-N	0	0	448.541	2.222	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cncnc4C)o3)C2)cc1OC	ZINC000216659234	557151239	/nfs/dbraw/zinc/15/12/39/557151239.db2.gz	JUYLOZQFCUEFMI-AWEZNQCLSA-N	0	0	445.501	2.421	40	70		IEIBRN
CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(I)cc3)no2)C1	ZINC000216672004	557151512	/nfs/dbraw/zinc/15/15/12/557151512.db2.gz	BZNCMGBVVTVSFG-LLVKDONJSA-N	0	0	433.271	2.480	40	70		IEIBRN
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCN(C)CC1	ZINC000216791019	557154391	/nfs/dbraw/zinc/15/43/91/557154391.db2.gz	AVYVBWDSRVIRPT-UHFFFAOYSA-N	0	0	440.928	2.391	40	70		IEIBRN
COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216859188	557158087	/nfs/dbraw/zinc/15/80/87/557158087.db2.gz	TWWCLIIPZQJTCX-QGZVFWFLSA-N	0	0	431.558	2.431	40	70		IEIBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216860050	557158492	/nfs/dbraw/zinc/15/84/92/557158492.db2.gz	AMRQOGKNVYDMMF-LJQANCHMSA-N	0	0	445.585	2.437	40	70		IEIBRN
CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	ZINC000216864593	557158945	/nfs/dbraw/zinc/15/89/45/557158945.db2.gz	ZRTVESMHCQIZIS-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1C	ZINC000216867599	557159644	/nfs/dbraw/zinc/15/96/44/557159644.db2.gz	JHQCOPBLMIQFHS-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(F)cc3)c2)CC1	ZINC000216880326	557161236	/nfs/dbraw/zinc/16/12/36/557161236.db2.gz	RLYCMDXACJCPEV-UHFFFAOYSA-N	0	0	425.913	2.345	40	70		IEIBRN
CCOC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216882292	557161257	/nfs/dbraw/zinc/16/12/57/557161257.db2.gz	ASXNGUINUXBFLQ-UHFFFAOYSA-N	0	0	445.541	2.193	40	70		IEIBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCSCc3ccco3)cc2)CC1	ZINC000216884239	557161524	/nfs/dbraw/zinc/16/15/24/557161524.db2.gz	DFWGCGVSLQNHBG-UHFFFAOYSA-N	0	0	437.587	2.020	40	70		IEIBRN
COc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216886642	557161721	/nfs/dbraw/zinc/16/17/21/557161721.db2.gz	NHKVCNONWGCUSB-UHFFFAOYSA-N	0	0	431.558	2.045	40	70		IEIBRN
CCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216888007	557162073	/nfs/dbraw/zinc/16/20/73/557162073.db2.gz	VTYSBUYPTXXGNK-UHFFFAOYSA-N	0	0	431.558	2.093	40	70		IEIBRN
C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@H]3[C@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@@H]12	ZINC000217525706	557170688	/nfs/dbraw/zinc/17/06/88/557170688.db2.gz	OACAZKAYRUIRND-ZSACGJCGSA-N	0	0	425.466	2.175	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)n2)c1	ZINC000218231555	557183382	/nfs/dbraw/zinc/18/33/82/557183382.db2.gz	PCUDJTFZABZMOB-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)n2)cc1	ZINC000218231634	557183505	/nfs/dbraw/zinc/18/35/05/557183505.db2.gz	ANXFQKBEBRMDGJ-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O	ZINC000218230604	557183510	/nfs/dbraw/zinc/18/35/10/557183510.db2.gz	FOGQJDHZRRKYNT-UHFFFAOYSA-N	0	0	433.530	2.166	40	70		IEIBRN
CCOc1ccccc1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O	ZINC000218257621	557185509	/nfs/dbraw/zinc/18/55/09/557185509.db2.gz	UGQNOWNRGSBDGW-UHFFFAOYSA-N	0	0	430.486	2.218	40	70		IEIBRN
CCOc1ccc(N(CC(=O)N[C@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1	ZINC000218258597	557185702	/nfs/dbraw/zinc/18/57/02/557185702.db2.gz	LGNOEDVCPQZQHI-MRXNPFEDSA-N	0	0	436.530	2.444	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)CN(c3ccccc3F)S(C)(=O)=O)n2)c1	ZINC000218263787	557186025	/nfs/dbraw/zinc/18/60/25/557186025.db2.gz	XZZZRKJQADQUQN-UHFFFAOYSA-N	0	0	448.476	2.309	40	70		IEIBRN
COc1ccc(OC[C@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1	ZINC000218267099	557186055	/nfs/dbraw/zinc/18/60/55/557186055.db2.gz	HNKGYSFQHXXADX-INIZCTEOSA-N	0	0	436.530	2.362	40	70		IEIBRN
CCc1ccc(N(CC(=O)NCc2nc(-c3cccc(OC)c3)no2)S(C)(=O)=O)cc1	ZINC000218308594	557191680	/nfs/dbraw/zinc/19/16/80/557191680.db2.gz	RAKIPPAICQEUHY-UHFFFAOYSA-N	0	0	444.513	2.390	40	70		IEIBRN
COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1OC	ZINC000218354417	557194724	/nfs/dbraw/zinc/19/47/24/557194724.db2.gz	UDEIDGLLHXXUSQ-OAHLLOKOSA-N	0	0	436.530	2.492	40	70		IEIBRN
CN(C)S(=O)(=O)N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)c1ccccc1	ZINC000218421123	557198298	/nfs/dbraw/zinc/19/82/98/557198298.db2.gz	FKPCRSMUAHZFIC-UHFFFAOYSA-N	0	0	429.502	2.008	40	70		IEIBRN
CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000218432821	557199291	/nfs/dbraw/zinc/19/92/91/557199291.db2.gz	BUIAVDXINDPISA-UHFFFAOYSA-N	0	0	447.513	2.002	40	70		IEIBRN
CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)c(F)c1	ZINC000218435282	557199372	/nfs/dbraw/zinc/19/93/72/557199372.db2.gz	VKRMUEQHSRFYFU-UHFFFAOYSA-N	0	0	428.442	2.159	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)c(OC)c1	ZINC000218599621	557209280	/nfs/dbraw/zinc/20/92/80/557209280.db2.gz	MWTLHZWFSYEZOO-UHFFFAOYSA-N	0	0	446.485	2.364	40	70		IEIBRN
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000218647161	557212298	/nfs/dbraw/zinc/21/22/98/557212298.db2.gz	XACBJBUFYDASJR-MRXNPFEDSA-N	0	0	448.541	2.370	40	70		IEIBRN
COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	ZINC000218647508	557212313	/nfs/dbraw/zinc/21/23/13/557212313.db2.gz	NNPOSQFCQPRIGB-MRXNPFEDSA-N	0	0	448.541	2.370	40	70		IEIBRN
Cc1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	ZINC000218650358	557212585	/nfs/dbraw/zinc/21/25/85/557212585.db2.gz	LZBAPWCYNSHHRX-UHFFFAOYSA-N	0	0	434.514	2.465	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C)cc1)c1ccc2c(c1)OCCO2	ZINC000218765795	557214675	/nfs/dbraw/zinc/21/46/75/557214675.db2.gz	HFDTZTJYGQFHIE-UHFFFAOYSA-N	0	0	434.514	2.118	40	70		IEIBRN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1	ZINC000216657945	557150915	/nfs/dbraw/zinc/15/09/15/557150915.db2.gz	DXICKFRHUHJGQX-HNNXBMFYSA-N	0	0	442.501	2.362	40	70		IEIBRN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cncnc4C)o3)C2)cc1	ZINC000216660074	557151125	/nfs/dbraw/zinc/15/11/25/557151125.db2.gz	AOOBTALEGGWPRT-OAHLLOKOSA-N	0	0	442.501	2.362	40	70		IEIBRN
Cc1ccc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216855042	557157649	/nfs/dbraw/zinc/15/76/49/557157649.db2.gz	YKAZOTOKUAUIOA-UHFFFAOYSA-N	0	0	433.599	2.453	40	70		IEIBRN
COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216859213	557158091	/nfs/dbraw/zinc/15/80/91/557158091.db2.gz	TWWCLIIPZQJTCX-KRWDZBQOSA-N	0	0	431.558	2.431	40	70		IEIBRN
COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	ZINC000216861308	557158611	/nfs/dbraw/zinc/15/86/11/557158611.db2.gz	SWBIMBCQWUUFJQ-UHFFFAOYSA-N	0	0	433.530	2.201	40	70		IEIBRN
COc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	ZINC000216864302	557158852	/nfs/dbraw/zinc/15/88/52/557158852.db2.gz	CMMOFJMACDLSGB-UHFFFAOYSA-N	0	0	445.585	2.302	40	70		IEIBRN
CC(C)Oc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	ZINC000216886808	557161510	/nfs/dbraw/zinc/16/15/10/557161510.db2.gz	YVBYWZJORKPWAH-UHFFFAOYSA-N	0	0	445.585	2.481	40	70		IEIBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)CC1	ZINC000216887080	557161607	/nfs/dbraw/zinc/16/16/07/557161607.db2.gz	KYOOWMKGALBYTH-UHFFFAOYSA-N	0	0	433.549	2.266	40	70		IEIBRN
Cc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216887434	557161928	/nfs/dbraw/zinc/16/19/28/557161928.db2.gz	MVPLTHZGGZRPCF-UHFFFAOYSA-N	0	0	429.586	2.435	40	70		IEIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216889726	557162038	/nfs/dbraw/zinc/16/20/38/557162038.db2.gz	CDJVOIPWKLFHFA-LJQANCHMSA-N	0	0	445.585	2.270	40	70		IEIBRN
C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@@H]12	ZINC000217525621	557170695	/nfs/dbraw/zinc/17/06/95/557170695.db2.gz	OACAZKAYRUIRND-DGDCTEPVSA-N	0	0	425.466	2.175	40	70		IEIBRN
COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c1C2	ZINC000217961037	557175178	/nfs/dbraw/zinc/17/51/78/557175178.db2.gz	YYOPJUJFHCDBNM-DZGCQCFKSA-N	0	0	432.480	2.419	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)n2)cc1	ZINC000218241497	557184063	/nfs/dbraw/zinc/18/40/63/557184063.db2.gz	KUPACANXDQZYDB-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1ccc(C)cc1N(CC(=O)NCc1nc(-c2cccs2)no1)S(C)(=O)=O	ZINC000218267604	557186332	/nfs/dbraw/zinc/18/63/32/557186332.db2.gz	RGMZHFZLPFKILP-UHFFFAOYSA-N	0	0	436.515	2.198	40	70		IEIBRN
COc1ccc(N([C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1	ZINC000218278213	557187306	/nfs/dbraw/zinc/18/73/06/557187306.db2.gz	ULQCDYJKXQDGLK-CQSZACIVSA-N	0	0	430.486	2.216	40	70		IEIBRN
CCc1ccc(N(CC(=O)NCc2nc(-c3ccc(OC)cc3)no2)S(C)(=O)=O)cc1	ZINC000218308652	557191628	/nfs/dbraw/zinc/19/16/28/557191628.db2.gz	KBFCIHHKMVVQNN-UHFFFAOYSA-N	0	0	444.513	2.390	40	70		IEIBRN
COc1ccc2c(c1)[C@H](NC(=O)CN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2	ZINC000218328250	557193075	/nfs/dbraw/zinc/19/30/75/557193075.db2.gz	ZYNZBYAGDVDXEK-MRXNPFEDSA-N	0	0	430.482	2.258	40	70		IEIBRN
CCOc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OCC	ZINC000218416370	557197882	/nfs/dbraw/zinc/19/78/82/557197882.db2.gz	IVBCJJGISFIYDW-UHFFFAOYSA-N	0	0	435.546	2.413	40	70		IEIBRN
COc1cc(CNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)ccc1OC(C)C	ZINC000218416474	557197995	/nfs/dbraw/zinc/19/79/95/557197995.db2.gz	ZAFFBTJJSJEYSQ-UHFFFAOYSA-N	0	0	435.546	2.412	40	70		IEIBRN
Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)c1	ZINC000218435084	557199341	/nfs/dbraw/zinc/19/93/41/557199341.db2.gz	CTBSVVDSZUVFGR-UHFFFAOYSA-N	0	0	436.440	2.406	40	70		IEIBRN
C[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218451452	557200343	/nfs/dbraw/zinc/20/03/43/557200343.db2.gz	MASIDYRSBNFOFS-ZDUSSCGKSA-N	0	0	443.522	2.015	40	70		IEIBRN
COc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000218520525	557205527	/nfs/dbraw/zinc/20/55/27/557205527.db2.gz	JRLWFJPXTRQSFE-UHFFFAOYSA-N	0	0	432.542	2.387	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3C)n2)c(OC)c1	ZINC000218581865	557208732	/nfs/dbraw/zinc/20/87/32/557208732.db2.gz	HESPPZDUPUIEDH-UHFFFAOYSA-N	0	0	446.485	2.364	40	70		IEIBRN
Cc1cccc(-c2noc(CNC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)n2)c1	ZINC000218763544	557214058	/nfs/dbraw/zinc/21/40/58/557214058.db2.gz	KUDDXHOIEKITQV-UHFFFAOYSA-N	0	0	444.513	2.132	40	70		IEIBRN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1	ZINC000216657900	557150935	/nfs/dbraw/zinc/15/09/35/557150935.db2.gz	DXICKFRHUHJGQX-OAHLLOKOSA-N	0	0	442.501	2.362	40	70		IEIBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cncnc4C)o3)C2)c1	ZINC000216659349	557151114	/nfs/dbraw/zinc/15/11/14/557151114.db2.gz	KIBJKBNGCRXDSO-AWEZNQCLSA-N	0	0	445.501	2.421	40	70		IEIBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cncnc4C)o3)C2)c1	ZINC000216659304	557151137	/nfs/dbraw/zinc/15/11/37/557151137.db2.gz	KIBJKBNGCRXDSO-CQSZACIVSA-N	0	0	445.501	2.421	40	70		IEIBRN
COc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216858200	557158131	/nfs/dbraw/zinc/15/81/31/557158131.db2.gz	HYDCGZKTYPSGKX-UHFFFAOYSA-N	0	0	445.585	2.302	40	70		IEIBRN
CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	ZINC000216861238	557158479	/nfs/dbraw/zinc/15/84/79/557158479.db2.gz	GHYVYPKTNPDBRS-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
COc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	ZINC000216864272	557158887	/nfs/dbraw/zinc/15/88/87/557158887.db2.gz	BDQOSLXCYQQZPB-UHFFFAOYSA-N	0	0	445.585	2.302	40	70		IEIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	ZINC000216865885	557159346	/nfs/dbraw/zinc/15/93/46/557159346.db2.gz	KNEDDZZMCZOUPT-LJQANCHMSA-N	0	0	445.585	2.437	40	70		IEIBRN
COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216869852	557159977	/nfs/dbraw/zinc/15/99/77/557159977.db2.gz	XXTPTWTVOAYVHC-UHFFFAOYSA-N	0	0	437.949	2.215	40	70		IEIBRN
CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216882168	557161373	/nfs/dbraw/zinc/16/13/73/557161373.db2.gz	LIHLTRIOAKVCMK-UHFFFAOYSA-N	0	0	445.541	2.193	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)n2)cc1	ZINC000218243549	557184300	/nfs/dbraw/zinc/18/43/00/557184300.db2.gz	HSFRMTCNUKUUBK-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)n2)c1	ZINC000218243485	557184308	/nfs/dbraw/zinc/18/43/08/557184308.db2.gz	AIWXMVYCZHYBDR-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1ccc(C)cc1N(CC(=O)NCc1nc(-c2ccc(C)cc2)no1)S(C)(=O)=O	ZINC000218267528	557186316	/nfs/dbraw/zinc/18/63/16/557186316.db2.gz	BKQLGYWRONJHJJ-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1ccc(N([C@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1	ZINC000218278648	557187283	/nfs/dbraw/zinc/18/72/83/557187283.db2.gz	UVKZTXXMMIZUSF-GFCCVEGCSA-N	0	0	436.515	2.278	40	70		IEIBRN
COc1ccc(CNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1OC	ZINC000218354497	557194742	/nfs/dbraw/zinc/19/47/42/557194742.db2.gz	UDEIDGLLHXXUSQ-HNNXBMFYSA-N	0	0	436.530	2.492	40	70		IEIBRN
COc1ccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1OC	ZINC000218456329	557200817	/nfs/dbraw/zinc/20/08/17/557200817.db2.gz	QPKUIEPWMVAUFG-ZDUSSCGKSA-N	0	0	440.493	2.322	40	70		IEIBRN
COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C	ZINC000218519539	557205161	/nfs/dbraw/zinc/20/51/61/557205161.db2.gz	AKMGYYLFBBCZHH-UHFFFAOYSA-N	0	0	432.498	2.363	40	70		IEIBRN
COc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1	ZINC000218628340	557210768	/nfs/dbraw/zinc/21/07/68/557210768.db2.gz	GKPDAKLBNARHNF-UHFFFAOYSA-N	0	0	432.542	2.387	40	70		IEIBRN
Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	ZINC000218647709	557212261	/nfs/dbraw/zinc/21/22/61/557212261.db2.gz	YTFOTGYJNYUEQU-MRXNPFEDSA-N	0	0	434.514	2.116	40	70		IEIBRN
COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1	ZINC000218647338	557212344	/nfs/dbraw/zinc/21/23/44/557212344.db2.gz	ZABAWMHJPZUPEE-MRXNPFEDSA-N	0	0	448.541	2.370	40	70		IEIBRN
CN(CCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1	ZINC000218650458	557212652	/nfs/dbraw/zinc/21/26/52/557212652.db2.gz	GCVPEJSVSSXTKS-UHFFFAOYSA-N	0	0	433.530	2.214	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCCN(C)c1ccccc1)c1ccc2c(c1)OCO2	ZINC000218765358	557214404	/nfs/dbraw/zinc/21/44/04/557214404.db2.gz	YDKJXCWFWQUYBV-UHFFFAOYSA-N	0	0	433.530	2.214	40	70		IEIBRN
CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1	ZINC000218763716	557214443	/nfs/dbraw/zinc/21/44/43/557214443.db2.gz	HCQXHHVRHHIISM-UHFFFAOYSA-N	0	0	444.513	2.165	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCCc1cccc(OC)c1)c1ccc2c(c1)OCO2	ZINC000218764388	557214450	/nfs/dbraw/zinc/21/44/50/557214450.db2.gz	KHJKAPZJJYEZEK-UHFFFAOYSA-N	0	0	434.514	2.329	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCCc1cccc(OC)c1)c1ccc2c(c1)OCCO2	ZINC000218765681	557214838	/nfs/dbraw/zinc/21/48/38/557214838.db2.gz	VBIZAEUXLPPXNR-UHFFFAOYSA-N	0	0	448.541	2.372	40	70		IEIBRN
COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216854658	557157413	/nfs/dbraw/zinc/15/74/13/557157413.db2.gz	OBESBPWPQQIKLT-UHFFFAOYSA-N	0	0	433.530	2.201	40	70		IEIBRN
CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216856777	557157731	/nfs/dbraw/zinc/15/77/31/557157731.db2.gz	JEZUJVFFZHDFFT-UHFFFAOYSA-N	0	0	430.530	2.142	40	70		IEIBRN
CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCSC3CCCCC3)c2)CC1	ZINC000216866633	557159716	/nfs/dbraw/zinc/15/97/16/557159716.db2.gz	MEBAQACIABNXOA-UHFFFAOYSA-N	0	0	425.620	2.418	40	70		IEIBRN
COc1ccc(OC)c(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	ZINC000216882483	557161186	/nfs/dbraw/zinc/16/11/86/557161186.db2.gz	HCGUFQDSZKCUGD-UHFFFAOYSA-N	0	0	433.530	2.033	40	70		IEIBRN
COC(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	ZINC000216884183	557161546	/nfs/dbraw/zinc/16/15/46/557161546.db2.gz	OOFVKDQYQAPJLM-UHFFFAOYSA-N	0	0	445.541	2.111	40	70		IEIBRN
CC(C)Oc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216888136	557161904	/nfs/dbraw/zinc/16/19/04/557161904.db2.gz	DGIOKEPGWPAFDM-UHFFFAOYSA-N	0	0	445.585	2.481	40	70		IEIBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCOC3CCCCC3)cc2)CC1	ZINC000216889499	557161939	/nfs/dbraw/zinc/16/19/39/557161939.db2.gz	XUAMFFHDEHPFCI-UHFFFAOYSA-N	0	0	437.606	2.233	40	70		IEIBRN
C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@@H]12	ZINC000217525799	557170605	/nfs/dbraw/zinc/17/06/05/557170605.db2.gz	OACAZKAYRUIRND-RGXJAVSESA-N	0	0	425.466	2.175	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)n2)cc1	ZINC000218235154	557183799	/nfs/dbraw/zinc/18/37/99/557183799.db2.gz	PCJHHXWZTWEZOG-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1ccc(N([C@@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1	ZINC000218278586	557187267	/nfs/dbraw/zinc/18/72/67/557187267.db2.gz	UVKZTXXMMIZUSF-LBPRGKRZSA-N	0	0	436.515	2.278	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)n2)cc1	ZINC000218290860	557188755	/nfs/dbraw/zinc/18/87/55/557188755.db2.gz	DIVFTNWOJPQPBI-CQSZACIVSA-N	0	0	430.486	2.216	40	70		IEIBRN
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000218330608	557193138	/nfs/dbraw/zinc/19/31/38/557193138.db2.gz	GQBLEHZFRAJGRS-UHFFFAOYSA-N	0	0	446.872	2.193	40	70		IEIBRN
COc1ccc2c(c1)[C@@H](NC(=O)CN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2	ZINC000218328153	557193165	/nfs/dbraw/zinc/19/31/65/557193165.db2.gz	ZYNZBYAGDVDXEK-INIZCTEOSA-N	0	0	430.482	2.258	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3N(C)S(C)(=O)=O)n2)c1	ZINC000218345647	557193840	/nfs/dbraw/zinc/19/38/40/557193840.db2.gz	VQQGYXSEEMKYSS-UHFFFAOYSA-N	0	0	430.486	2.413	40	70		IEIBRN
COc1cc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc(OC)c1OC	ZINC000218357670	557194965	/nfs/dbraw/zinc/19/49/65/557194965.db2.gz	PNYSWUKOOHTHMS-OAHLLOKOSA-N	0	0	436.530	2.492	40	70		IEIBRN
CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1	ZINC000218444266	557199948	/nfs/dbraw/zinc/19/99/48/557199948.db2.gz	WLABERFYCPBRMR-UHFFFAOYSA-N	0	0	430.486	2.461	40	70		IEIBRN
COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1	ZINC000218446268	557200010	/nfs/dbraw/zinc/20/00/10/557200010.db2.gz	ZJJAXGLFFACVOK-INIZCTEOSA-N	0	0	435.521	2.338	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3)n2)c(OC)c1	ZINC000218570972	557207864	/nfs/dbraw/zinc/20/78/64/557207864.db2.gz	RFEAEWSBBVAXAE-UHFFFAOYSA-N	0	0	446.485	2.398	40	70		IEIBRN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1nc(-c2cccs2)no1	ZINC000218629931	557211223	/nfs/dbraw/zinc/21/12/23/557211223.db2.gz	BLUNAEYMUJSGHK-UHFFFAOYSA-N	0	0	448.526	2.057	40	70		IEIBRN
COc1ccc(OC[C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1	ZINC000218762099	557214137	/nfs/dbraw/zinc/21/41/37/557214137.db2.gz	GYXBZUZCOZZJRL-MRXNPFEDSA-N	0	0	436.530	2.049	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCCc1ccccc1OC)c1ccc2c(c1)OCO2	ZINC000218764338	557214347	/nfs/dbraw/zinc/21/43/47/557214347.db2.gz	KZGBCEHMTAMLPU-UHFFFAOYSA-N	0	0	434.514	2.329	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)N[C@@H](C)COc1ccccc1C)c1ccc2c(c1)OCO2	ZINC000218764787	557214435	/nfs/dbraw/zinc/21/44/35/557214435.db2.gz	BQCKZLVWDICTDQ-INIZCTEOSA-N	0	0	434.514	2.464	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cncnc4C)o3)CC2)cc1OC	ZINC000216638309	557149825	/nfs/dbraw/zinc/14/98/25/557149825.db2.gz	IDUXPCGDIUXAMJ-UHFFFAOYSA-N	0	0	445.501	2.421	40	70		IEIBRN
CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1N1CCN(C)CC1	ZINC000216792817	557154588	/nfs/dbraw/zinc/15/45/88/557154588.db2.gz	JDNHUTPDMLISDP-QGZVFWFLSA-N	0	0	430.574	2.228	40	70		IEIBRN
CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216858658	557158153	/nfs/dbraw/zinc/15/81/53/557158153.db2.gz	PCNAAFDHSFSHOS-UHFFFAOYSA-N	0	0	431.558	2.260	40	70		IEIBRN
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(OC)c1	ZINC000216861279	557158563	/nfs/dbraw/zinc/15/85/63/557158563.db2.gz	SPVFDEDQLDLCGH-UHFFFAOYSA-N	0	0	433.530	2.201	40	70		IEIBRN
CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216864659	557159316	/nfs/dbraw/zinc/15/93/16/557159316.db2.gz	BGIWELRSDPGQCX-UHFFFAOYSA-N	0	0	431.558	2.260	40	70		IEIBRN
COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC	ZINC000216867975	557159742	/nfs/dbraw/zinc/15/97/42/557159742.db2.gz	NLADNUJAEMVBPC-MRXNPFEDSA-N	0	0	447.557	2.131	40	70		IEIBRN
CCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216867551	557159747	/nfs/dbraw/zinc/15/97/47/557159747.db2.gz	QALACIDGSGTKIM-UHFFFAOYSA-N	0	0	445.585	2.384	40	70		IEIBRN
Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216868454	557160007	/nfs/dbraw/zinc/16/00/07/557160007.db2.gz	YGIBUSFDFNRKHT-SFHVURJKSA-N	0	0	431.558	2.128	40	70		IEIBRN
COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	ZINC000216876013	557160872	/nfs/dbraw/zinc/16/08/72/557160872.db2.gz	KREWIKAUOUPRNB-UHFFFAOYSA-N	0	0	437.949	2.215	40	70		IEIBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)CC1	ZINC000216883044	557161314	/nfs/dbraw/zinc/16/13/14/557161314.db2.gz	WKWRTVMOHNPZAN-UHFFFAOYSA-N	0	0	447.626	2.427	40	70		IEIBRN
COc1ccccc1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216887144	557161587	/nfs/dbraw/zinc/16/15/87/557161587.db2.gz	UMVOKSXOIWILKH-UHFFFAOYSA-N	0	0	445.585	2.135	40	70		IEIBRN
CC(C)N1C[C@H](C(=O)Nc2ccc(N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)nc2)CC1=O	ZINC000217550472	557171062	/nfs/dbraw/zinc/17/10/62/557171062.db2.gz	NUZLRYPBJIZZFN-RCCFBDPRSA-N	0	0	435.528	2.062	40	70		IEIBRN
O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217571816	557171358	/nfs/dbraw/zinc/17/13/58/557171358.db2.gz	QSQITBCOURJRGD-CGTJXYLNSA-N	0	0	438.919	2.308	40	70		IEIBRN
O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217571725	557171450	/nfs/dbraw/zinc/17/14/50/557171450.db2.gz	QSQITBCOURJRGD-RYQLBKOJSA-N	0	0	438.919	2.308	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)n2)c1	ZINC000218241393	557184073	/nfs/dbraw/zinc/18/40/73/557184073.db2.gz	QAFGTPQEAPJGCE-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1cccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1	ZINC000218254835	557185098	/nfs/dbraw/zinc/18/50/98/557185098.db2.gz	FRCAFLUYKUAXCU-UHFFFAOYSA-N	0	0	430.486	2.170	40	70		IEIBRN
COc1cccc(N(CC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)c1	ZINC000218254932	557185123	/nfs/dbraw/zinc/18/51/23/557185123.db2.gz	KNSIUXJQWSNPIY-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1ccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1	ZINC000218256955	557185395	/nfs/dbraw/zinc/18/53/95/557185395.db2.gz	OJBRGOUILCDPHB-UHFFFAOYSA-N	0	0	431.558	2.420	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)n2)cc1	ZINC000218266083	557185984	/nfs/dbraw/zinc/18/59/84/557185984.db2.gz	HLJIKPVQHQMXNW-UHFFFAOYSA-N	0	0	448.476	2.309	40	70		IEIBRN
COc1ccccc1N(CC(=O)NCc1nc(-c2ccc(C)cc2)no1)S(C)(=O)=O	ZINC000218311814	557191993	/nfs/dbraw/zinc/19/19/93/557191993.db2.gz	YEDLNZSDVKZCCE-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1ccccc1N(CC(=O)NCc1nc(-c2cccc(C)c2)no1)S(C)(=O)=O	ZINC000218311738	557192042	/nfs/dbraw/zinc/19/20/42/557192042.db2.gz	BZVVURCTLDPEEZ-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1	ZINC000218643594	557212027	/nfs/dbraw/zinc/21/20/27/557212027.db2.gz	LVFQYMSKFLINPB-UHFFFAOYSA-N	0	0	446.485	2.445	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)N[C@H](C)COc1ccccc1C)c1ccc2c(c1)OCO2	ZINC000218764831	557214391	/nfs/dbraw/zinc/21/43/91/557214391.db2.gz	BQCKZLVWDICTDQ-MRXNPFEDSA-N	0	0	434.514	2.464	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCCc1ccc(OC)cc1)c1ccc2c(c1)OCCO2	ZINC000218765735	557214655	/nfs/dbraw/zinc/21/46/55/557214655.db2.gz	GRQBJHAVGOELEM-UHFFFAOYSA-N	0	0	448.541	2.372	40	70		IEIBRN
CN(C)S(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccc(F)cc1	ZINC000218769273	557215029	/nfs/dbraw/zinc/21/50/29/557215029.db2.gz	XEKAYVUWBOOGRE-UHFFFAOYSA-N	0	0	448.564	2.398	40	70		IEIBRN
COc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1OC	ZINC000218770356	557215052	/nfs/dbraw/zinc/21/50/52/557215052.db2.gz	MENKBAPERRDQIL-UHFFFAOYSA-N	0	0	435.546	2.309	40	70		IEIBRN
Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)n2)c1	ZINC000218768633	557215095	/nfs/dbraw/zinc/21/50/95/557215095.db2.gz	MUBIRRBSGMELCY-UHFFFAOYSA-N	0	0	447.492	2.113	40	70		IEIBRN
Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)n2)cc1	ZINC000218768744	557215103	/nfs/dbraw/zinc/21/51/03/557215103.db2.gz	QGPXNOVTCRFIIY-UHFFFAOYSA-N	0	0	447.492	2.113	40	70		IEIBRN
Cc1ccc(-c2noc(CNC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)n2)cc1	ZINC000218772579	557215111	/nfs/dbraw/zinc/21/51/11/557215111.db2.gz	LWJXKTVQVFUASP-UHFFFAOYSA-N	0	0	429.502	2.218	40	70		IEIBRN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cncnc4C)o3)CC2)cc1	ZINC000216638847	557149905	/nfs/dbraw/zinc/14/99/05/557149905.db2.gz	PWNGESNLBKEZCI-UHFFFAOYSA-N	0	0	442.501	2.362	40	70		IEIBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cnc(C)nc4)o3)C2)c1	ZINC000216657156	557150947	/nfs/dbraw/zinc/15/09/47/557150947.db2.gz	SQOVTJFXSVLKEH-AWEZNQCLSA-N	0	0	445.501	2.421	40	70		IEIBRN
CS(=O)(=O)N1CCC(c2nc(-c3ccc(I)cc3)no2)CC1	ZINC000216670835	557151523	/nfs/dbraw/zinc/15/15/23/557151523.db2.gz	JXZMXHSEQMSOCG-UHFFFAOYSA-N	0	0	433.271	2.480	40	70		IEIBRN
COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216857828	557157670	/nfs/dbraw/zinc/15/76/70/557157670.db2.gz	MCJGPJJYMFQZBK-UHFFFAOYSA-N	0	0	431.558	2.212	40	70		IEIBRN
COc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216864333	557158923	/nfs/dbraw/zinc/15/89/23/557158923.db2.gz	JBWHLUDFANVNTD-UHFFFAOYSA-N	0	0	445.585	2.302	40	70		IEIBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216868427	557160028	/nfs/dbraw/zinc/16/00/28/557160028.db2.gz	YGIBUSFDFNRKHT-GOSISDBHSA-N	0	0	431.558	2.128	40	70		IEIBRN
CCOc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	ZINC000216887943	557162067	/nfs/dbraw/zinc/16/20/67/557162067.db2.gz	SRJYFOLMHONQHI-UHFFFAOYSA-N	0	0	431.558	2.093	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)CN(c3cccc(C)c3)S(C)(=O)=O)n2)cc1	ZINC000218232427	557183366	/nfs/dbraw/zinc/18/33/66/557183366.db2.gz	XUNDIVYZKZWAMO-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCCCOC)S(C)(=O)=O	ZINC000218244835	557184373	/nfs/dbraw/zinc/18/43/73/557184373.db2.gz	UNWMVFCXEROORV-UHFFFAOYSA-N	0	0	447.557	2.420	40	70		IEIBRN
COc1cccc(N(CC(=O)NCc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)c1	ZINC000218254513	557185150	/nfs/dbraw/zinc/18/51/50/557185150.db2.gz	LHHBKNQUDYHBNW-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1ccc(N(CC(=O)NCc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)cc1	ZINC000218256201	557185352	/nfs/dbraw/zinc/18/53/52/557185352.db2.gz	UMKMBUBCRMEJTE-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1ccc(N(CC(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1	ZINC000218256714	557185360	/nfs/dbraw/zinc/18/53/60/557185360.db2.gz	JPIJKRGCBHGETF-UHFFFAOYSA-N	0	0	436.515	2.231	40	70		IEIBRN
CCOc1ccccc1N(CC(=O)N[C@H](C)COc1ccc(OC)cc1)S(C)(=O)=O	ZINC000218257390	557185442	/nfs/dbraw/zinc/18/54/42/557185442.db2.gz	OQZXHWXCXMWJMI-MRXNPFEDSA-N	0	0	436.530	2.444	40	70		IEIBRN
COc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1OC	ZINC000218261386	557185749	/nfs/dbraw/zinc/18/57/49/557185749.db2.gz	WOMRYDLJEBVIRZ-UHFFFAOYSA-N	0	0	435.546	2.113	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)CN(c3ccccc3F)S(C)(=O)=O)n2)cc1	ZINC000218263876	557186011	/nfs/dbraw/zinc/18/60/11/557186011.db2.gz	WFQPMIJRNYTKLV-UHFFFAOYSA-N	0	0	448.476	2.309	40	70		IEIBRN
COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	ZINC000218275566	557186981	/nfs/dbraw/zinc/18/69/81/557186981.db2.gz	ZGOVEGBAAIXQDB-CVEARBPZSA-N	0	0	436.530	2.442	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)n2)c1	ZINC000218290706	557188850	/nfs/dbraw/zinc/18/88/50/557188850.db2.gz	FRRXEQBAKYNDMZ-CQSZACIVSA-N	0	0	430.486	2.216	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)CN(c3cccc(F)c3)S(C)(=O)=O)n2)c1	ZINC000218324462	557192818	/nfs/dbraw/zinc/19/28/18/557192818.db2.gz	HGJLTXJJAMTISZ-UHFFFAOYSA-N	0	0	448.476	2.309	40	70		IEIBRN
CN(C)S(=O)(=O)N(CC(=O)N(C)Cc1nc(-c2cccs2)no1)c1ccccc1	ZINC000218421439	557198251	/nfs/dbraw/zinc/19/82/51/557198251.db2.gz	RBQGUBDBMDIZEW-UHFFFAOYSA-N	0	0	435.531	2.070	40	70		IEIBRN
CCOC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000218427341	557198919	/nfs/dbraw/zinc/19/89/19/557198919.db2.gz	KPORSRQOXPXRSO-UHFFFAOYSA-N	0	0	434.470	2.039	40	70		IEIBRN
COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1	ZINC000218434642	557199358	/nfs/dbraw/zinc/19/93/58/557199358.db2.gz	FSRVDSSPIBJWEN-ZDUSSCGKSA-N	0	0	428.457	2.323	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)N[C@@H](C)COc1ccc(C)cc1)c1ccc2c(c1)OCO2	ZINC000218764881	557214351	/nfs/dbraw/zinc/21/43/51/557214351.db2.gz	BQYJDBAEABQHDJ-INIZCTEOSA-N	0	0	434.514	2.464	40	70		IEIBRN
Cc1ccc(C)c(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(=O)(=O)N(C)C)c1	ZINC000218767129	557214645	/nfs/dbraw/zinc/21/46/45/557214645.db2.gz	YFPBMKSITCBFAC-UHFFFAOYSA-N	0	0	443.529	2.283	40	70		IEIBRN
CN(C)S(=O)(=O)N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)c1ccc(F)cc1	ZINC000218768942	557215071	/nfs/dbraw/zinc/21/50/71/557215071.db2.gz	KRVKRGHUXFOPID-UHFFFAOYSA-N	0	0	447.492	2.147	40	70		IEIBRN
Cc1cccc(-c2noc(CNC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)n2)c1	ZINC000218772475	557215106	/nfs/dbraw/zinc/21/51/06/557215106.db2.gz	MYMDWFHEKJPUMY-UHFFFAOYSA-N	0	0	429.502	2.218	40	70		IEIBRN
COc1ccc(OC)c(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1	ZINC000218260720	568625861	/nfs/dbraw/zinc/62/58/61/568625861.db2.gz	RDLKVEBMTVRYAW-UHFFFAOYSA-N	0	0	435.546	2.113	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1OC	ZINC000216657004	557150945	/nfs/dbraw/zinc/15/09/45/557150945.db2.gz	RSDNBQMSJHLVNN-CQSZACIVSA-N	0	0	445.501	2.421	40	70		IEIBRN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cncnc4C)o3)C2)cc1	ZINC000216660117	557151191	/nfs/dbraw/zinc/15/11/91/557151191.db2.gz	AOOBTALEGGWPRT-HNNXBMFYSA-N	0	0	442.501	2.362	40	70		IEIBRN
CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2Cl)CC1	ZINC000216872500	557160432	/nfs/dbraw/zinc/16/04/32/557160432.db2.gz	PXJGVXKMBFDMJC-UHFFFAOYSA-N	0	0	425.913	2.345	40	70		IEIBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1	ZINC000216886137	557161749	/nfs/dbraw/zinc/16/17/49/557161749.db2.gz	DEWRLOWYKVNHLL-UHFFFAOYSA-N	0	0	431.602	2.462	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)CN(c3cccc(C)c3)S(C)(=O)=O)n2)c1	ZINC000218232324	557183520	/nfs/dbraw/zinc/18/35/20/557183520.db2.gz	KRVVIOJFMWXGNC-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1ccccc1N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)S(C)(=O)=O	ZINC000218312110	557192316	/nfs/dbraw/zinc/19/23/16/557192316.db2.gz	DDIDVHLHGDVHNO-UHFFFAOYSA-N	0	0	430.486	2.170	40	70		IEIBRN
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000218330710	557193046	/nfs/dbraw/zinc/19/30/46/557193046.db2.gz	XGWKOKRZTXBODS-UHFFFAOYSA-N	0	0	446.872	2.193	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)c(OC)c1	ZINC000218345014	557193780	/nfs/dbraw/zinc/19/37/80/557193780.db2.gz	VRAZBLIHTAECFA-UHFFFAOYSA-N	0	0	446.485	2.080	40	70		IEIBRN
CN(C)S(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccccc1	ZINC000218421740	557198348	/nfs/dbraw/zinc/19/83/48/557198348.db2.gz	YESAHIZFWPGMQG-UHFFFAOYSA-N	0	0	430.574	2.259	40	70		IEIBRN
Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)cc1	ZINC000218435198	557199315	/nfs/dbraw/zinc/19/93/15/557199315.db2.gz	SEMHVEIGDGPROH-UHFFFAOYSA-N	0	0	436.440	2.406	40	70		IEIBRN
CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O	ZINC000218435392	557199362	/nfs/dbraw/zinc/19/93/62/557199362.db2.gz	HLAZPWILRGWGKU-UHFFFAOYSA-N	0	0	436.440	2.439	40	70		IEIBRN
COc1ccc(Br)c(C(=O)N2CCc3cnc(N4CCOCC4)nc3C2)c1	ZINC000217620445	568901378	/nfs/dbraw/zinc/90/13/78/568901378.db2.gz	FETXNHPJOLVQIA-UHFFFAOYSA-N	0	0	433.306	2.283	40	70		IEIBRN
CS(=O)(=O)N1CCC(c2nc(-c3ccccc3I)no2)CC1	ZINC000216670775	557151471	/nfs/dbraw/zinc/15/14/71/557151471.db2.gz	VTMONORFCSKZHG-UHFFFAOYSA-N	0	0	433.271	2.480	40	70		IEIBRN
COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(OC)c1	ZINC000216854591	557157353	/nfs/dbraw/zinc/15/73/53/557157353.db2.gz	YMGAZNLNMMPHKG-UHFFFAOYSA-N	0	0	433.530	2.201	40	70		IEIBRN
Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216860075	557158645	/nfs/dbraw/zinc/15/86/45/557158645.db2.gz	AMRQOGKNVYDMMF-IBGZPJMESA-N	0	0	445.585	2.437	40	70		IEIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCc1ccc(F)cc1	ZINC000216864238	557158866	/nfs/dbraw/zinc/15/88/66/557158866.db2.gz	WDWRMEVBTBVCEZ-UHFFFAOYSA-N	0	0	433.549	2.433	40	70		IEIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCOC1CCCCC1	ZINC000216865808	557159305	/nfs/dbraw/zinc/15/93/05/557159305.db2.gz	RVSXHJKFIBLMHV-UHFFFAOYSA-N	0	0	437.606	2.400	40	70		IEIBRN
COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC	ZINC000216868002	557159672	/nfs/dbraw/zinc/15/96/72/557159672.db2.gz	NLADNUJAEMVBPC-INIZCTEOSA-N	0	0	447.557	2.131	40	70		IEIBRN
CN1CCN(S(=O)(=O)c2cc(C(=O)NCCCOC3CCCC3)ccc2Cl)CC1	ZINC000216873251	557160597	/nfs/dbraw/zinc/16/05/97/557160597.db2.gz	GYJRPJYEDJLRJX-UHFFFAOYSA-N	0	0	443.997	2.355	40	70		IEIBRN
COc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216887257	557161761	/nfs/dbraw/zinc/16/17/61/557161761.db2.gz	PXVOHCRUBIYCCQ-UHFFFAOYSA-N	0	0	445.585	2.135	40	70		IEIBRN
CCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	ZINC000216887617	557162084	/nfs/dbraw/zinc/16/20/84/557162084.db2.gz	AHCDDMDUYVDJFA-UHFFFAOYSA-N	0	0	445.541	2.193	40	70		IEIBRN
COc1ccccc1CN(C)C(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216889322	557162102	/nfs/dbraw/zinc/16/21/02/557162102.db2.gz	DDSSCMOVQQOUMF-UHFFFAOYSA-N	0	0	431.558	2.045	40	70		IEIBRN
COc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216888235	557162127	/nfs/dbraw/zinc/16/21/27/557162127.db2.gz	ZMHHGPNOCWOGKZ-KRWDZBQOSA-N	0	0	431.558	2.263	40	70		IEIBRN
COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O	ZINC000217577844	557171503	/nfs/dbraw/zinc/17/15/03/557171503.db2.gz	RCOXOIANDIFCLC-YSTOQKLRSA-N	0	0	436.439	2.447	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)CN(c3ccccc3)S(C)(=O)=O)n2)cc1	ZINC000218227261	557183140	/nfs/dbraw/zinc/18/31/40/557183140.db2.gz	CQPUOBVNNBXOKK-UHFFFAOYSA-N	0	0	430.486	2.170	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)c1	ZINC000218229683	557183357	/nfs/dbraw/zinc/18/33/57/557183357.db2.gz	DKXOMIQKBNJKOH-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)n2)cc1	ZINC000218236947	557183817	/nfs/dbraw/zinc/18/38/17/557183817.db2.gz	KNPIWUNBYNDWKN-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)n2)cc1	ZINC000218272845	557186607	/nfs/dbraw/zinc/18/66/07/557186607.db2.gz	DQXNSYPDFKBYCU-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)n2)c1	ZINC000218290744	557188781	/nfs/dbraw/zinc/18/87/81/557188781.db2.gz	FRRXEQBAKYNDMZ-AWEZNQCLSA-N	0	0	430.486	2.216	40	70		IEIBRN
COc1cccc(-c2noc(CN(C)C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)c1	ZINC000218338978	557193476	/nfs/dbraw/zinc/19/34/76/557193476.db2.gz	BCNUXXBCEBMILN-UHFFFAOYSA-N	0	0	430.486	2.413	40	70		IEIBRN
COc1cc(CNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc(OC)c1OC	ZINC000218357750	557195037	/nfs/dbraw/zinc/19/50/37/557195037.db2.gz	PNYSWUKOOHTHMS-HNNXBMFYSA-N	0	0	436.530	2.492	40	70		IEIBRN
Cc1ccc(SCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	ZINC000218428585	557198958	/nfs/dbraw/zinc/19/89/58/557198958.db2.gz	IKSSDHACDFHQQS-UHFFFAOYSA-N	0	0	436.555	2.441	40	70		IEIBRN
CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1	ZINC000218483190	557202290	/nfs/dbraw/zinc/20/22/90/557202290.db2.gz	LLMMOMFJTCBUJL-CYBMUJFWSA-N	0	0	446.953	2.305	40	70		IEIBRN
COc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000218520715	557205493	/nfs/dbraw/zinc/20/54/93/557205493.db2.gz	WYCDPNQPOBSLIZ-KRWDZBQOSA-N	0	0	448.541	2.222	40	70		IEIBRN
Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	ZINC000218647790	557212187	/nfs/dbraw/zinc/21/21/87/557212187.db2.gz	YTFOTGYJNYUEQU-INIZCTEOSA-N	0	0	434.514	2.116	40	70		IEIBRN
COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1	ZINC000218647407	557212216	/nfs/dbraw/zinc/21/22/16/557212216.db2.gz	ZABAWMHJPZUPEE-INIZCTEOSA-N	0	0	448.541	2.370	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCCc1ccccc1OC)c1ccc2c(c1)OCCO2	ZINC000218765624	557214801	/nfs/dbraw/zinc/21/48/01/557214801.db2.gz	IDHBCONCJBKWJQ-UHFFFAOYSA-N	0	0	448.541	2.372	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cnc(C)nc4)o3)CC2)cc1OC	ZINC000216636970	557149901	/nfs/dbraw/zinc/14/99/01/557149901.db2.gz	RHDIBCDSWRTTJO-UHFFFAOYSA-N	0	0	445.501	2.421	40	70		IEIBRN
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1	ZINC000216788104	557154307	/nfs/dbraw/zinc/15/43/07/557154307.db2.gz	QJRUPSFYXSVLBM-UHFFFAOYSA-N	0	0	433.530	2.282	40	70		IEIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCC)cc2)ccc1N1CCN(C)CC1	ZINC000216794388	557155232	/nfs/dbraw/zinc/15/52/32/557155232.db2.gz	ZNWVFFVYOZDEJU-UHFFFAOYSA-N	0	0	446.573	2.388	40	70		IEIBRN
Cc1ccc(C(=O)NCCCOC2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216859930	557158522	/nfs/dbraw/zinc/15/85/22/557158522.db2.gz	DRQSOYAKCCWJPM-UHFFFAOYSA-N	0	0	437.606	2.400	40	70		IEIBRN
CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216862855	557158929	/nfs/dbraw/zinc/15/89/29/557158929.db2.gz	KVKJPXNAIKIWLR-UHFFFAOYSA-N	0	0	430.530	2.142	40	70		IEIBRN
Cc1ccccc1OC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	ZINC000216865909	557159230	/nfs/dbraw/zinc/15/92/30/557159230.db2.gz	KNEDDZZMCZOUPT-IBGZPJMESA-N	0	0	445.585	2.437	40	70		IEIBRN
COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c(OC)c1	ZINC000216882354	557161232	/nfs/dbraw/zinc/16/12/32/557161232.db2.gz	RFQHJIPCPYIXOK-UHFFFAOYSA-N	0	0	433.530	2.033	40	70		IEIBRN
COC(=O)C[C@H](c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O)C(C)C	ZINC000217962983	557175067	/nfs/dbraw/zinc/17/50/67/557175067.db2.gz	WAWOTHXNLZPALE-JZXOWHBKSA-N	0	0	442.512	2.429	40	70		IEIBRN
CC(C)Cn1nc(CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc2c1=O	ZINC000218035996	557176090	/nfs/dbraw/zinc/17/60/90/557176090.db2.gz	DAMUBHNOYCAMQV-ZWKOTPCHSA-N	0	0	432.524	2.403	40	70		IEIBRN
COc1ccc(N([C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1	ZINC000218278135	557187150	/nfs/dbraw/zinc/18/71/50/557187150.db2.gz	ULQCDYJKXQDGLK-AWEZNQCLSA-N	0	0	430.486	2.216	40	70		IEIBRN
COc1ccccc1N(CC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1)S(C)(=O)=O	ZINC000218312185	557192388	/nfs/dbraw/zinc/19/23/88/557192388.db2.gz	YGVUTCABYJRJRH-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
Cc1ccc(CN(c2ccc(C(=O)NCCCN3CCOCC3)cc2)S(C)(=O)=O)cc1	ZINC000218315022	557192456	/nfs/dbraw/zinc/19/24/56/557192456.db2.gz	WIMXRQPUTSIYEI-UHFFFAOYSA-N	0	0	445.585	2.413	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)c(OC)c1	ZINC000218338241	557193427	/nfs/dbraw/zinc/19/34/27/557193427.db2.gz	GTGBVRUZTHASSE-UHFFFAOYSA-N	0	0	446.485	2.080	40	70		IEIBRN
CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccc2c(c1)OCO2	ZINC000218353276	557194797	/nfs/dbraw/zinc/19/47/97/557194797.db2.gz	WGDAGKXIGCWIBW-UHFFFAOYSA-N	0	0	445.541	2.140	40	70		IEIBRN
Cc1cccc(-c2noc(CN(C)C(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)n2)c1	ZINC000218421230	557198373	/nfs/dbraw/zinc/19/83/73/557198373.db2.gz	XYAUWIAIBCMOMF-UHFFFAOYSA-N	0	0	443.529	2.316	40	70		IEIBRN
C[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218451529	557200188	/nfs/dbraw/zinc/20/01/88/557200188.db2.gz	MASIDYRSBNFOFS-CYBMUJFWSA-N	0	0	443.522	2.015	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)n2)cc1	ZINC000218463878	557201129	/nfs/dbraw/zinc/20/11/29/557201129.db2.gz	MMFRNSBOIGOWFK-CYBMUJFWSA-N	0	0	448.476	2.355	40	70		IEIBRN
CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)CC1	ZINC000218514787	557204442	/nfs/dbraw/zinc/20/44/42/557204442.db2.gz	JZVUDVOSIFHAIT-UHFFFAOYSA-N	0	0	437.562	2.474	40	70		IEIBRN
COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000218520639	557205497	/nfs/dbraw/zinc/20/54/97/557205497.db2.gz	WYCDPNQPOBSLIZ-QGZVFWFLSA-N	0	0	448.541	2.222	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3)n2)c(OC)c1	ZINC000218570152	557207879	/nfs/dbraw/zinc/20/78/79/557207879.db2.gz	QBWDADPGYPAOLV-UHFFFAOYSA-N	0	0	432.458	2.055	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c(OC)c1	ZINC000218590082	557208969	/nfs/dbraw/zinc/20/89/69/557208969.db2.gz	RLSKFDCTKFIRHA-UHFFFAOYSA-N	0	0	446.485	2.364	40	70		IEIBRN
COc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1	ZINC000218628237	557210763	/nfs/dbraw/zinc/21/07/63/557210763.db2.gz	GSYXQRHXTMWJJG-UHFFFAOYSA-N	0	0	432.542	2.387	40	70		IEIBRN
COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000218647225	557212286	/nfs/dbraw/zinc/21/22/86/557212286.db2.gz	XACBJBUFYDASJR-INIZCTEOSA-N	0	0	448.541	2.370	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCCc1ccc(OC)cc1)c1ccc2c(c1)OCO2	ZINC000218764431	557214431	/nfs/dbraw/zinc/21/44/31/557214431.db2.gz	QSJXKTWVRIUUGQ-UHFFFAOYSA-N	0	0	434.514	2.329	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cncnc4C)o3)C2)cc1OC	ZINC000216659192	557151202	/nfs/dbraw/zinc/15/12/02/557151202.db2.gz	JUYLOZQFCUEFMI-CQSZACIVSA-N	0	0	445.501	2.421	40	70		IEIBRN
CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc(I)cc3)no2)C1	ZINC000216672045	557151416	/nfs/dbraw/zinc/15/14/16/557151416.db2.gz	BZNCMGBVVTVSFG-NSHDSACASA-N	0	0	433.271	2.480	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(C(C)=O)c1	ZINC000216788691	557154398	/nfs/dbraw/zinc/15/43/98/557154398.db2.gz	JYCXECFCKSDDKY-UHFFFAOYSA-N	0	0	431.514	2.086	40	70		IEIBRN
COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC	ZINC000216854692	557157401	/nfs/dbraw/zinc/15/74/01/557157401.db2.gz	GYNVXLMBOMCKDI-UHFFFAOYSA-N	0	0	433.530	2.201	40	70		IEIBRN
CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216858576	557158148	/nfs/dbraw/zinc/15/81/48/557158148.db2.gz	WUKORWGZQUHSJB-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCSCc1ccco1	ZINC000216862349	557158603	/nfs/dbraw/zinc/15/86/03/557158603.db2.gz	LRQDZWMPNRGYKI-UHFFFAOYSA-N	0	0	437.587	2.187	40	70		IEIBRN
CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	ZINC000216863691	557158909	/nfs/dbraw/zinc/15/89/09/557158909.db2.gz	UVHCOSKAISZIRA-UHFFFAOYSA-N	0	0	430.530	2.142	40	70		IEIBRN
COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216863966	557158935	/nfs/dbraw/zinc/15/89/35/557158935.db2.gz	CPQFYCQUQWLTDF-UHFFFAOYSA-N	0	0	431.558	2.212	40	70		IEIBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCSc3ccccc3)cc2)CC1	ZINC000216882981	557161164	/nfs/dbraw/zinc/16/11/64/557161164.db2.gz	MNWNDMQVXXXPGZ-UHFFFAOYSA-N	0	0	433.599	2.286	40	70		IEIBRN
Cc1ccc(C(=O)Nc2ccc(N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)nc2)c(=O)n1C	ZINC000217552523	557171044	/nfs/dbraw/zinc/17/10/44/557171044.db2.gz	MQQDVHCRFXDLSI-DLBZAZTESA-N	0	0	431.496	2.126	40	70		IEIBRN
COc1cccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1	ZINC000218255356	557185088	/nfs/dbraw/zinc/18/50/88/557185088.db2.gz	ARULUNVRAYFLKB-UHFFFAOYSA-N	0	0	431.558	2.420	40	70		IEIBRN
CCOc1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1	ZINC000218259030	557185681	/nfs/dbraw/zinc/18/56/81/557185681.db2.gz	GBCIACSHXZUQHQ-UHFFFAOYSA-N	0	0	436.515	2.279	40	70		IEIBRN
COc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c(OC)c1	ZINC000218260033	557185762	/nfs/dbraw/zinc/18/57/62/557185762.db2.gz	LIFYJPAYEQNDSN-UHFFFAOYSA-N	0	0	435.546	2.113	40	70		IEIBRN
COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	ZINC000218275473	557186944	/nfs/dbraw/zinc/18/69/44/557186944.db2.gz	ZGOVEGBAAIXQDB-HZPDHXFCSA-N	0	0	436.530	2.442	40	70		IEIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000218328341	557193063	/nfs/dbraw/zinc/19/30/63/557193063.db2.gz	OTGCZELECAQCIR-INIZCTEOSA-N	0	0	430.482	2.258	40	70		IEIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000218328417	557193092	/nfs/dbraw/zinc/19/30/92/557193092.db2.gz	OTGCZELECAQCIR-MRXNPFEDSA-N	0	0	430.482	2.258	40	70		IEIBRN
Cc1ccc(-c2noc(CN(C)C(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)n2)cc1	ZINC000218421334	557198334	/nfs/dbraw/zinc/19/83/34/557198334.db2.gz	BCNZOKAHZARJAR-UHFFFAOYSA-N	0	0	443.529	2.316	40	70		IEIBRN
CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1	ZINC000218444171	557199960	/nfs/dbraw/zinc/19/99/60/557199960.db2.gz	GTWUWXOGVZRWQW-UHFFFAOYSA-N	0	0	430.486	2.461	40	70		IEIBRN
COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1	ZINC000218446190	557199989	/nfs/dbraw/zinc/19/99/89/557199989.db2.gz	ZJJAXGLFFACVOK-MRXNPFEDSA-N	0	0	435.521	2.338	40	70		IEIBRN
COc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C	ZINC000218628131	557210771	/nfs/dbraw/zinc/21/07/71/557210771.db2.gz	KSZUAMVTXKMXGD-UHFFFAOYSA-N	0	0	432.542	2.387	40	70		IEIBRN
C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000218649742	557212602	/nfs/dbraw/zinc/21/26/02/557212602.db2.gz	RUGIKHZURMDTJX-KRWDZBQOSA-N	0	0	447.557	2.255	40	70		IEIBRN
COc1ccc(OC[C@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1	ZINC000218762132	557213998	/nfs/dbraw/zinc/21/39/98/557213998.db2.gz	GYXBZUZCOZZJRL-INIZCTEOSA-N	0	0	436.530	2.049	40	70		IEIBRN
CN(Cc1ccc(OCC(=O)NCCCN2CCCc3ccccc32)cc1)S(C)(=O)=O	ZINC000218763890	557214369	/nfs/dbraw/zinc/21/43/69/557214369.db2.gz	LHCNYZUVJGQTLJ-UHFFFAOYSA-N	0	0	445.585	2.416	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)N[C@H](C)COc1ccc(C)cc1)c1ccc2c(c1)OCO2	ZINC000218764924	557214419	/nfs/dbraw/zinc/21/44/19/557214419.db2.gz	BQYJDBAEABQHDJ-MRXNPFEDSA-N	0	0	434.514	2.464	40	70		IEIBRN
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1	ZINC000218773308	557215332	/nfs/dbraw/zinc/21/53/32/557215332.db2.gz	FLINUOIYMZVGRM-UHFFFAOYSA-N	0	0	435.531	2.313	40	70		IEIBRN
CCN(c1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1)S(C)(=O)=O	ZINC000218783542	557215624	/nfs/dbraw/zinc/21/56/24/557215624.db2.gz	PYHNAEAXZRRHGI-UHFFFAOYSA-N	0	0	430.486	2.461	40	70		IEIBRN
CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216859039	557158137	/nfs/dbraw/zinc/15/81/37/557158137.db2.gz	KHEVLXYHDPRBNP-UHFFFAOYSA-N	0	0	431.558	2.260	40	70		IEIBRN
COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	ZINC000216862322	557158453	/nfs/dbraw/zinc/15/84/53/557158453.db2.gz	PUPYXIWWITWOBT-UHFFFAOYSA-N	0	0	445.541	2.278	40	70		IEIBRN
COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1C	ZINC000216862885	557158791	/nfs/dbraw/zinc/15/87/91/557158791.db2.gz	ZCHYEUYBIMPYSW-UHFFFAOYSA-N	0	0	445.541	2.278	40	70		IEIBRN
CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	ZINC000216864923	557159311	/nfs/dbraw/zinc/15/93/11/557159311.db2.gz	FNTHUPLHARUENF-UHFFFAOYSA-N	0	0	431.558	2.260	40	70		IEIBRN
CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216867638	557159668	/nfs/dbraw/zinc/15/96/68/557159668.db2.gz	VQCBXIWSFWCVAK-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCSCc3ccco3)c2)CC1	ZINC000216868145	557159694	/nfs/dbraw/zinc/15/96/94/557159694.db2.gz	YLIDHKORHQUTHI-UHFFFAOYSA-N	0	0	437.587	2.269	40	70		IEIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216868358	557159999	/nfs/dbraw/zinc/15/99/99/557159999.db2.gz	IQXUVKNIIBKNAM-GOSISDBHSA-N	0	0	431.558	2.128	40	70		IEIBRN
COC(=O)C[C@@H](c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O)C(C)C	ZINC000217962903	557175151	/nfs/dbraw/zinc/17/51/51/557175151.db2.gz	WAWOTHXNLZPALE-LZLYRXPVSA-N	0	0	442.512	2.429	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)n2)c1	ZINC000218236832	557183748	/nfs/dbraw/zinc/18/37/48/557183748.db2.gz	YZKJMRKRAXQOQD-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)n2)c1	ZINC000218234268	557183794	/nfs/dbraw/zinc/18/37/94/557183794.db2.gz	NMOPCUOZRIMGQN-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
CCc1ccccc1N(CC(=O)NCc1nc(-c2cccc(OC)c2)no1)S(C)(=O)=O	ZINC000218245970	557184458	/nfs/dbraw/zinc/18/44/58/557184458.db2.gz	HJWFVWDZNBQDSE-UHFFFAOYSA-N	0	0	444.513	2.390	40	70		IEIBRN
CCOc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1	ZINC000218258550	557185794	/nfs/dbraw/zinc/18/57/94/557185794.db2.gz	LGNOEDVCPQZQHI-INIZCTEOSA-N	0	0	436.530	2.444	40	70		IEIBRN
COc1ccc(C)cc1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O	ZINC000218267334	557186015	/nfs/dbraw/zinc/18/60/15/557186015.db2.gz	RVVPAFFJCRNTAI-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	ZINC000218275507	557186940	/nfs/dbraw/zinc/18/69/40/557186940.db2.gz	ZGOVEGBAAIXQDB-JKSUJKDBSA-N	0	0	436.530	2.442	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)n2)c1	ZINC000218281548	557187491	/nfs/dbraw/zinc/18/74/91/557187491.db2.gz	ZFWJSFCAYKSXML-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)n2)cc1	ZINC000218281613	557187640	/nfs/dbraw/zinc/18/76/40/557187640.db2.gz	JBEOKZKGOLCTPL-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1ccccc1N(CC(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1)S(C)(=O)=O	ZINC000218312260	557192300	/nfs/dbraw/zinc/19/23/00/557192300.db2.gz	KEQLDCTYACWGBF-UHFFFAOYSA-N	0	0	444.513	2.478	40	70		IEIBRN
COc1ccccc1N(CC(=O)NCCCN1CCCc2ccccc21)S(C)(=O)=O	ZINC000218312690	557192476	/nfs/dbraw/zinc/19/24/76/557192476.db2.gz	SMFQQELHBYBLJO-UHFFFAOYSA-N	0	0	431.558	2.420	40	70		IEIBRN
COc1ccc(-c2noc(CN(C)C(=O)CN(c3cccc(F)c3)S(C)(=O)=O)n2)cc1	ZINC000218324576	557192710	/nfs/dbraw/zinc/19/27/10/557192710.db2.gz	FTICTVKJLMAUAQ-UHFFFAOYSA-N	0	0	448.476	2.309	40	70		IEIBRN
COc1ccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC	ZINC000218418531	557197868	/nfs/dbraw/zinc/19/78/68/557197868.db2.gz	HNSOYMYCDGNFAZ-UHFFFAOYSA-N	0	0	435.546	2.066	40	70		IEIBRN
CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000218430872	557199346	/nfs/dbraw/zinc/19/93/46/557199346.db2.gz	VUGIIAGRAXZFBW-UHFFFAOYSA-N	0	0	447.513	2.001	40	70		IEIBRN
COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1OC	ZINC000218456250	557200805	/nfs/dbraw/zinc/20/08/05/557200805.db2.gz	QPKUIEPWMVAUFG-CYBMUJFWSA-N	0	0	440.493	2.322	40	70		IEIBRN
COc1cc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc(OC)c1OC	ZINC000218459381	557200925	/nfs/dbraw/zinc/20/09/25/557200925.db2.gz	SQKPFOBSMJDPLF-CYBMUJFWSA-N	0	0	440.493	2.322	40	70		IEIBRN
COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	ZINC000218647587	557212200	/nfs/dbraw/zinc/21/22/00/557212200.db2.gz	NNPOSQFCQPRIGB-INIZCTEOSA-N	0	0	448.541	2.370	40	70		IEIBRN
C[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000218649826	557212580	/nfs/dbraw/zinc/21/25/80/557212580.db2.gz	RUGIKHZURMDTJX-QGZVFWFLSA-N	0	0	447.557	2.255	40	70		IEIBRN
Cc1ccc(-c2noc(CNC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)n2)cc1	ZINC000218763604	557214396	/nfs/dbraw/zinc/21/43/96/557214396.db2.gz	VEGFJOMZQXGLAN-UHFFFAOYSA-N	0	0	444.513	2.132	40	70		IEIBRN
CCS(=O)(=O)N(CC(=O)NCCCN(C)c1ccccc1)c1ccc2c(c1)OCCO2	ZINC000218766368	557214844	/nfs/dbraw/zinc/21/48/44/557214844.db2.gz	GQOPXRFGRRBFHO-UHFFFAOYSA-N	0	0	447.557	2.257	40	70		IEIBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nnc(-c4cnc(C)nc4)o3)CC2)c1	ZINC000216637037	557149864	/nfs/dbraw/zinc/14/98/64/557149864.db2.gz	FIMFSHWIUSGKPM-UHFFFAOYSA-N	0	0	445.501	2.421	40	70		IEIBRN
CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccc3I)no2)C1	ZINC000216671889	557151562	/nfs/dbraw/zinc/15/15/62/557151562.db2.gz	XHQANMWNEJWZTI-SNVBAGLBSA-N	0	0	433.271	2.480	40	70		IEIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1N1CCN(C)CC1	ZINC000216794938	557155202	/nfs/dbraw/zinc/15/52/02/557155202.db2.gz	IBAKUJWRCLDGBZ-UHFFFAOYSA-N	0	0	444.557	2.192	40	70		IEIBRN
CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216854553	557157316	/nfs/dbraw/zinc/15/73/16/557157316.db2.gz	PXIWACIPXZYBOQ-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1C	ZINC000216856811	557157656	/nfs/dbraw/zinc/15/76/56/557157656.db2.gz	JDEAUDQQSASDND-UHFFFAOYSA-N	0	0	445.541	2.278	40	70		IEIBRN
COc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216858236	557158158	/nfs/dbraw/zinc/15/81/58/557158158.db2.gz	ABGAMEOHFKIBSG-UHFFFAOYSA-N	0	0	445.585	2.302	40	70		IEIBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216865951	557159219	/nfs/dbraw/zinc/15/92/19/557159219.db2.gz	LNGAKVWPQJMMIF-LJQANCHMSA-N	0	0	445.585	2.437	40	70		IEIBRN
CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	ZINC000216864964	557159368	/nfs/dbraw/zinc/15/93/68/557159368.db2.gz	LGELDRBPQZEYRE-UHFFFAOYSA-N	0	0	431.558	2.260	40	70		IEIBRN
CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1	ZINC000216867674	557159663	/nfs/dbraw/zinc/15/96/63/557159663.db2.gz	BAHXAYHFPVANNC-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216889822	557162518	/nfs/dbraw/zinc/16/25/18/557162518.db2.gz	HGYHBQZAHXGBET-LJQANCHMSA-N	0	0	445.585	2.270	40	70		IEIBRN
CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217936172	557174587	/nfs/dbraw/zinc/17/45/87/557174587.db2.gz	PHWAKMMQCNVRPB-KSZLIROESA-N	0	0	427.574	2.435	40	70		IEIBRN
CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1	ZINC000217981632	557175160	/nfs/dbraw/zinc/17/51/60/557175160.db2.gz	HZCZWECNVWZZIB-HQRMLTQVSA-N	0	0	448.523	2.433	40	70		IEIBRN
CCOc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1	ZINC000218258812	557185766	/nfs/dbraw/zinc/18/57/66/557185766.db2.gz	YGFCEGJXADMGGX-UHFFFAOYSA-N	0	0	430.486	2.218	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)n2)c1	ZINC000218272771	557186674	/nfs/dbraw/zinc/18/66/74/557186674.db2.gz	MMNLJFDKEMNPBZ-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1	ZINC000218773015	557215216	/nfs/dbraw/zinc/21/52/16/557215216.db2.gz	WOXKZPCJVWXYSG-UHFFFAOYSA-N	0	0	429.502	2.251	40	70		IEIBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN(C)c3ccccc3)C2)cc1	ZINC000218775065	557215339	/nfs/dbraw/zinc/21/53/39/557215339.db2.gz	INLJOOBTFATIKF-SFHVURJKSA-N	0	0	431.558	2.349	40	70		IEIBRN
CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1N1CCN(C)CC1	ZINC000216792776	557154536	/nfs/dbraw/zinc/15/45/36/557154536.db2.gz	JDNHUTPDMLISDP-KRWDZBQOSA-N	0	0	430.574	2.228	40	70		IEIBRN
Cc1ccc(C(=O)NCCSCc2ccco2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216856137	557157816	/nfs/dbraw/zinc/15/78/16/557157816.db2.gz	GYHFONXRORDFCR-UHFFFAOYSA-N	0	0	437.587	2.187	40	70		IEIBRN
CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216859073	557158095	/nfs/dbraw/zinc/15/80/95/557158095.db2.gz	LXCTZMWHKMCWGS-UHFFFAOYSA-N	0	0	431.558	2.260	40	70		IEIBRN
COc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216858268	557158199	/nfs/dbraw/zinc/15/81/99/557158199.db2.gz	KOEQCMHXIKETEV-UHFFFAOYSA-N	0	0	445.585	2.302	40	70		IEIBRN
CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	ZINC000216861155	557158462	/nfs/dbraw/zinc/15/84/62/557158462.db2.gz	GLTRRAZJXRFCMK-UHFFFAOYSA-N	0	0	445.541	2.360	40	70		IEIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCSc1ccccc1	ZINC000216861599	557158513	/nfs/dbraw/zinc/15/85/13/557158513.db2.gz	GFZLJARRDMGKDK-UHFFFAOYSA-N	0	0	433.599	2.453	40	70		IEIBRN
COc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216888193	557162012	/nfs/dbraw/zinc/16/20/12/557162012.db2.gz	ZMHHGPNOCWOGKZ-QGZVFWFLSA-N	0	0	431.558	2.263	40	70		IEIBRN
COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O	ZINC000217577676	557171516	/nfs/dbraw/zinc/17/15/16/557171516.db2.gz	RCOXOIANDIFCLC-UAFMIMERSA-N	0	0	436.439	2.447	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)n2)cc1	ZINC000218239345	557183988	/nfs/dbraw/zinc/18/39/88/557183988.db2.gz	BJOBLNMQNNBEOI-UHFFFAOYSA-N	0	0	444.513	2.444	40	70		IEIBRN
COc1ccc(N(CC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1	ZINC000218256145	557185399	/nfs/dbraw/zinc/18/53/99/557185399.db2.gz	WUCYUGULPQCCFC-UHFFFAOYSA-N	0	0	430.486	2.136	40	70		IEIBRN
CCOc1ccccc1N(CC(=O)N[C@@H](C)COc1ccc(OC)cc1)S(C)(=O)=O	ZINC000218257349	557185407	/nfs/dbraw/zinc/18/54/07/557185407.db2.gz	OQZXHWXCXMWJMI-INIZCTEOSA-N	0	0	436.530	2.444	40	70		IEIBRN
COc1ccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1	ZINC000218256504	557185436	/nfs/dbraw/zinc/18/54/36/557185436.db2.gz	QNTTZYCSSHJWIE-UHFFFAOYSA-N	0	0	430.486	2.170	40	70		IEIBRN
COc1ccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OC)c1	ZINC000218404637	557197099	/nfs/dbraw/zinc/19/70/99/557197099.db2.gz	NAKNEHWTHGAECE-UHFFFAOYSA-N	0	0	432.458	2.055	40	70		IEIBRN
COc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)n2)c1	ZINC000218463772	557201149	/nfs/dbraw/zinc/20/11/49/557201149.db2.gz	VUNNZEJLRFMRJH-ZDUSSCGKSA-N	0	0	448.476	2.355	40	70		IEIBRN
COc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000218520308	557205549	/nfs/dbraw/zinc/20/55/49/557205549.db2.gz	MDEUBCPBEMFYAK-UHFFFAOYSA-N	0	0	432.542	2.387	40	70		IEIBRN
CCN(c1ccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1)S(C)(=O)=O	ZINC000218783424	557215724	/nfs/dbraw/zinc/21/57/24/557215724.db2.gz	YSUSJCVBUZZCQK-UHFFFAOYSA-N	0	0	430.486	2.461	40	70		IEIBRN