smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218090310	568475158	/nfs/dbraw/zinc/47/51/58/568475158.db2.gz	AEZMOYRTPPNLRH-GOSISDBHSA-N	0	0	411.976	4.493	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218360805	568479234	/nfs/dbraw/zinc/47/92/34/568479234.db2.gz	CZLQAGMFPFFYSR-NQIIRXRSSA-N	0	0	402.560	4.034	40	70		HIIBRN
Cc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000218537439	568481495	/nfs/dbraw/zinc/48/14/95/568481495.db2.gz	JSULYUSJOFPBNR-UHFFFAOYSA-N	0	0	414.303	4.399	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218550414	568481640	/nfs/dbraw/zinc/48/16/40/568481640.db2.gz	PPKBSPJTIZTURX-TZIWHRDSSA-N	0	0	416.587	4.342	40	70		HIIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1	ZINC000218552861	568481738	/nfs/dbraw/zinc/48/17/38/568481738.db2.gz	ATQKGNLWIPOKRC-IAGOWNOFSA-N	0	0	422.978	4.297	40	70		HIIBRN
CC(C)Oc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1	ZINC000218571603	568481870	/nfs/dbraw/zinc/48/18/70/568481870.db2.gz	OWPRHAMUGQECNT-UHFFFAOYSA-N	0	0	424.522	4.205	40	70		HIIBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1	ZINC000218761163	568483449	/nfs/dbraw/zinc/48/34/49/568483449.db2.gz	AGTVZGUFRSETLP-MRXNPFEDSA-N	0	0	401.488	4.013	40	70		HIIBRN
CC[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000218038968	568474701	/nfs/dbraw/zinc/47/47/01/568474701.db2.gz	FRDSJGHURJURIR-SFHVURJKSA-N	0	0	411.976	4.244	40	70		HIIBRN
COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1	ZINC000218115894	568475243	/nfs/dbraw/zinc/47/52/43/568475243.db2.gz	MRBKGEMEUAJWJB-IBGZPJMESA-N	0	0	401.528	4.356	40	70		HIIBRN
CCOc1ccc(CCCNC(=O)c2ccc(I)cc2)cc1	ZINC000218213163	568476529	/nfs/dbraw/zinc/47/65/29/568476529.db2.gz	ZMTWKUVZNHNVNR-UHFFFAOYSA-N	0	0	409.267	4.053	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218379772	568479495	/nfs/dbraw/zinc/47/94/95/568479495.db2.gz	XPRQRDDJLXNZPR-UGKGYDQZSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218379515	568479519	/nfs/dbraw/zinc/47/95/19/568479519.db2.gz	XPRQRDDJLXNZPR-DENIHFKCSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218379252	568479538	/nfs/dbraw/zinc/47/95/38/568479538.db2.gz	BNEWLNSDXHPAFH-KNQAVFIVSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218386378	568479610	/nfs/dbraw/zinc/47/96/10/568479610.db2.gz	XCJHTMIMYXCKHD-JXFKEZNVSA-N	0	0	422.978	4.379	40	70		HIIBRN
C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccccc1	ZINC000218637302	568482661	/nfs/dbraw/zinc/48/26/61/568482661.db2.gz	AIOLBLIHAQNGAL-MRXNPFEDSA-N	0	0	420.962	4.396	40	70		HIIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C	ZINC000218626814	568482672	/nfs/dbraw/zinc/48/26/72/568482672.db2.gz	RAWKSQDIRXZOJN-IBGZPJMESA-N	0	0	414.571	4.277	40	70		HIIBRN
O=C1CS[C@H](c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)N1Cc1ccccc1	ZINC000216683305	568466399	/nfs/dbraw/zinc/46/63/99/568466399.db2.gz	VMDAHLSQTFSQGA-LJQANCHMSA-N	0	0	418.444	4.119	40	70		HIIBRN
COc1ccc2c(c1)[C@@H](NC(=O)CN1c3cccc4cccc(c34)C1=O)CC(C)(C)O2	ZINC000218318930	568478384	/nfs/dbraw/zinc/47/83/84/568478384.db2.gz	BEBQBRSOZGGHRV-IBGZPJMESA-N	0	0	416.477	4.227	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218370505	568479371	/nfs/dbraw/zinc/47/93/71/568479371.db2.gz	UKHKKHARGNOUSX-DENIHFKCSA-N	0	0	416.587	4.342	40	70		HIIBRN
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218467357	568480795	/nfs/dbraw/zinc/48/07/95/568480795.db2.gz	BSNOJOAWKPLXRX-GFCCVEGCSA-N	0	0	401.315	4.095	40	70		HIIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C	ZINC000218506322	568481125	/nfs/dbraw/zinc/48/11/25/568481125.db2.gz	QOIPNPBGSDRLDF-LJQANCHMSA-N	0	0	414.571	4.277	40	70		HIIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1C	ZINC000218635457	568482677	/nfs/dbraw/zinc/48/26/77/568482677.db2.gz	NQTFQTCEUCKEAV-INIZCTEOSA-N	0	0	420.962	4.232	40	70		HIIBRN
COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(OC)c1OC	ZINC000218662224	568482790	/nfs/dbraw/zinc/48/27/90/568482790.db2.gz	HETXDYMSEPBEOM-HNNXBMFYSA-N	0	0	401.503	4.094	40	70		HIIBRN
COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC	ZINC000218712477	568483027	/nfs/dbraw/zinc/48/30/27/568483027.db2.gz	RQFANCINUQQWBT-INIZCTEOSA-N	0	0	405.922	4.490	40	70		HIIBRN
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(Br)c3)nn2)cc1	ZINC000216769586	568466996	/nfs/dbraw/zinc/46/69/96/568466996.db2.gz	ZYUKXDJVTQVBLL-HXUWFJFHSA-N	0	0	413.319	4.187	40	70		HIIBRN
COc1cccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c1	ZINC000217994248	568474436	/nfs/dbraw/zinc/47/44/36/568474436.db2.gz	DTLRCIJHKAIETB-GFCCVEGCSA-N	0	0	403.891	4.196	40	70		HIIBRN
COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3)n2)cc1	ZINC000218046447	568474882	/nfs/dbraw/zinc/47/48/82/568474882.db2.gz	IYRHFTXRLASTJX-UHFFFAOYSA-N	0	0	417.918	4.290	40	70		HIIBRN
COc1ccccc1CCCNC(=O)CSCc1ccc(Br)cc1	ZINC000218195509	568476155	/nfs/dbraw/zinc/47/61/55/568476155.db2.gz	QVJZAGNKGPPZLG-UHFFFAOYSA-N	0	0	408.361	4.440	40	70		HIIBRN
COc1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1OC	ZINC000218202626	568476288	/nfs/dbraw/zinc/47/62/88/568476288.db2.gz	SVLKNZRKYQUCMW-UHFFFAOYSA-N	0	0	411.926	4.479	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218379411	568479541	/nfs/dbraw/zinc/47/95/41/568479541.db2.gz	BNEWLNSDXHPAFH-UGKGYDQZSA-N	0	0	416.587	4.342	40	70		HIIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C	ZINC000218626736	568482533	/nfs/dbraw/zinc/48/25/33/568482533.db2.gz	RAWKSQDIRXZOJN-LJQANCHMSA-N	0	0	414.571	4.277	40	70		HIIBRN
COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	ZINC000218671392	568482879	/nfs/dbraw/zinc/48/28/79/568482879.db2.gz	OHAZLXQPCXNPJD-MRXNPFEDSA-N	0	0	423.513	4.469	40	70		HIIBRN
C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	ZINC000218682340	568482904	/nfs/dbraw/zinc/48/29/04/568482904.db2.gz	OBDJYEUQDCFHPA-LBPRGKRZSA-N	0	0	406.269	4.469	40	70		HIIBRN
CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCc1ccccc1	ZINC000217767819	568473851	/nfs/dbraw/zinc/47/38/51/568473851.db2.gz	KYMZJKICRJMATJ-UHFFFAOYSA-N	0	0	409.482	4.311	40	70		HIIBRN
O=C1C[C@H](N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)C(=O)N1c1ccccc1	ZINC000217813296	568474069	/nfs/dbraw/zinc/47/40/69/568474069.db2.gz	YVZRKSJKOBBHGS-OZXSUGGESA-N	0	0	421.500	4.448	40	70		HIIBRN
CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218045310	568474820	/nfs/dbraw/zinc/47/48/20/568474820.db2.gz	LZPPHSPPYWLNRX-SFHVURJKSA-N	0	0	411.976	4.244	40	70		HIIBRN
C[C@H](Sc1ccccc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1	ZINC000218062872	568474884	/nfs/dbraw/zinc/47/48/84/568474884.db2.gz	VBQQGACJAJMFTJ-LBPRGKRZSA-N	0	0	418.316	4.296	40	70		HIIBRN
COc1ccc(CSCC(=O)Nc2ccc(I)cc2)cc1	ZINC000218110324	568475241	/nfs/dbraw/zinc/47/52/41/568475241.db2.gz	JPMOCSVAWHNXLF-UHFFFAOYSA-N	0	0	413.280	4.172	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218478342	568480879	/nfs/dbraw/zinc/48/08/79/568480879.db2.gz	DSURWXYPDDITQV-UZLBHIALSA-N	0	0	422.978	4.379	40	70		HIIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1	ZINC000218552998	568481776	/nfs/dbraw/zinc/48/17/76/568481776.db2.gz	ATQKGNLWIPOKRC-SJORKVTESA-N	0	0	422.978	4.297	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218669691	568482763	/nfs/dbraw/zinc/48/27/63/568482763.db2.gz	DIJHPJNFPKHLIS-IERDGZPVSA-N	0	0	417.571	4.422	40	70		HIIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccc(OC)cc1	ZINC000218743566	568483189	/nfs/dbraw/zinc/48/31/89/568483189.db2.gz	YYFOFSZVLSSXBQ-UHFFFAOYSA-N	0	0	401.488	4.014	40	70		HIIBRN
COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1	ZINC000218115658	568475230	/nfs/dbraw/zinc/47/52/30/568475230.db2.gz	ZOEVVLVMDWHUGC-LJQANCHMSA-N	0	0	401.528	4.356	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218477984	568480901	/nfs/dbraw/zinc/48/09/01/568480901.db2.gz	OMBVAQSMXPQAEM-UZLBHIALSA-N	0	0	422.978	4.379	40	70		HIIBRN
COc1cc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(OC)c1OC	ZINC000218711654	568482959	/nfs/dbraw/zinc/48/29/59/568482959.db2.gz	KXMOGKBDYLUYPI-AWEZNQCLSA-N	0	0	407.894	4.066	40	70		HIIBRN
Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc(C)c1Cl	ZINC000218718874	568483060	/nfs/dbraw/zinc/48/30/60/568483060.db2.gz	SUJNHWVKBTVZIG-CYBMUJFWSA-N	0	0	405.907	4.494	40	70		HIIBRN
COc1cccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c1	ZINC000217994334	568474433	/nfs/dbraw/zinc/47/44/33/568474433.db2.gz	DTLRCIJHKAIETB-LBPRGKRZSA-N	0	0	403.891	4.196	40	70		HIIBRN
CC[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218090396	568475171	/nfs/dbraw/zinc/47/51/71/568475171.db2.gz	AEZMOYRTPPNLRH-SFHVURJKSA-N	0	0	411.976	4.493	40	70		HIIBRN
Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000218183004	568475999	/nfs/dbraw/zinc/47/59/99/568475999.db2.gz	DCRVOSWQXPPUIA-ZHACJKMWSA-N	0	0	412.287	4.479	40	70		HIIBRN
COc1ccc(/C=C/C(=O)NCCCc2cccc(OC(C)C)c2)c(OC)c1OC	ZINC000218186188	568476150	/nfs/dbraw/zinc/47/61/50/568476150.db2.gz	NYBCHLFSRGCCHS-WYMLVPIESA-N	0	0	413.514	4.262	40	70		HIIBRN
COc1ccc(/C=C/C(=O)NCCCc2ccc(OC(C)C)cc2)c(OC)c1OC	ZINC000218186266	568476198	/nfs/dbraw/zinc/47/61/98/568476198.db2.gz	FMSLODQNUJJPMG-RVDMUPIBSA-N	0	0	413.514	4.262	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218370266	568479269	/nfs/dbraw/zinc/47/92/69/568479269.db2.gz	UFGNZIHACYJBTL-KNQAVFIVSA-N	0	0	416.587	4.342	40	70		HIIBRN
C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218471138	568480769	/nfs/dbraw/zinc/48/07/69/568480769.db2.gz	UWSSHXRYGUZAQS-NSHDSACASA-N	0	0	420.840	4.152	40	70		HIIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1C	ZINC000218524586	568481550	/nfs/dbraw/zinc/48/15/50/568481550.db2.gz	FKQUYOWGHDKNON-MRXNPFEDSA-N	0	0	420.962	4.232	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218550588	568481644	/nfs/dbraw/zinc/48/16/44/568481644.db2.gz	PPKBSPJTIZTURX-PZJWPPBQSA-N	0	0	416.587	4.342	40	70		HIIBRN
Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1	ZINC000218553059	568481803	/nfs/dbraw/zinc/48/18/03/568481803.db2.gz	ATQKGNLWIPOKRC-IRXDYDNUSA-N	0	0	422.978	4.297	40	70		HIIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(OC)cc1	ZINC000218118577	568475214	/nfs/dbraw/zinc/47/52/14/568475214.db2.gz	LPIKWCFYBORYJD-UHFFFAOYSA-N	0	0	403.529	4.089	40	70		HIIBRN
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(OC)c1OC	ZINC000218188171	568476157	/nfs/dbraw/zinc/47/61/57/568476157.db2.gz	NXSLMMDOVZERBL-PEKVBPLLSA-N	0	0	411.498	4.453	40	70		HIIBRN
Cc1cccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1C	ZINC000218280233	568477295	/nfs/dbraw/zinc/47/72/95/568477295.db2.gz	FEGFDWXWHFMWPK-UHFFFAOYSA-N	0	0	401.315	4.015	40	70		HIIBRN
C[C@H](C(=O)NC1CCCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218492185	568480937	/nfs/dbraw/zinc/48/09/37/568480937.db2.gz	XCSFFLBYUNYGQG-CYBMUJFWSA-N	0	0	421.390	4.377	40	70		HIIBRN
Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218515201	568481246	/nfs/dbraw/zinc/48/12/46/568481246.db2.gz	OXKLHKVEJFDASO-GOSISDBHSA-N	0	0	400.544	4.051	40	70		HIIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1C	ZINC000218524671	568481554	/nfs/dbraw/zinc/48/15/54/568481554.db2.gz	FKQUYOWGHDKNON-INIZCTEOSA-N	0	0	420.962	4.232	40	70		HIIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(C)c(C)c1	ZINC000218623869	568482500	/nfs/dbraw/zinc/48/25/00/568482500.db2.gz	VPLQEEZQJLDMDH-JOCHJYFZSA-N	0	0	414.571	4.277	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1	ZINC000218670375	568482892	/nfs/dbraw/zinc/48/28/92/568482892.db2.gz	WUQFHJWOCXPDEG-HNNXBMFYSA-N	0	0	409.486	4.126	40	70		HIIBRN
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)c1	ZINC000216777314	568467110	/nfs/dbraw/zinc/46/71/10/568467110.db2.gz	AWPQGWZKSAQVDR-FQEVSTJZSA-N	0	0	402.420	4.185	40	70		HIIBRN
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1cccc(Cl)c1	ZINC000217854493	568474077	/nfs/dbraw/zinc/47/40/77/568474077.db2.gz	WEJOARLQXIJUHO-UHFFFAOYSA-N	0	0	406.667	4.425	40	70		HIIBRN
COc1ccc2c(c1)[C@H](NC(=O)CN1c3cccc4cccc(c34)C1=O)CC(C)(C)O2	ZINC000218319019	568478389	/nfs/dbraw/zinc/47/83/89/568478389.db2.gz	BEBQBRSOZGGHRV-LJQANCHMSA-N	0	0	416.477	4.227	40	70		HIIBRN
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1	ZINC000218357570	568479221	/nfs/dbraw/zinc/47/92/21/568479221.db2.gz	HNWVECSCEJWNIF-QGZVFWFLSA-N	0	0	416.543	4.110	40	70		HIIBRN
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1C	ZINC000218513445	568481243	/nfs/dbraw/zinc/48/12/43/568481243.db2.gz	IVZPCWSXQHSINE-OAQYLSRUSA-N	0	0	414.571	4.277	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000218716470	568483059	/nfs/dbraw/zinc/48/30/59/568483059.db2.gz	IDZXVOHDLBJYDG-KXBFYZLASA-N	0	0	423.962	4.395	40	70		HIIBRN
COc1cccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3)n2)c1	ZINC000218738827	568483236	/nfs/dbraw/zinc/48/32/36/568483236.db2.gz	NCYKTMQOGZECFZ-UHFFFAOYSA-N	0	0	415.877	4.216	40	70		HIIBRN
CC[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218745635	568483302	/nfs/dbraw/zinc/48/33/02/568483302.db2.gz	UOZPWZWVDLWTGP-NRFANRHFSA-N	0	0	420.550	4.256	40	70		HIIBRN
CSc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CCN(C)CC2)n1	ZINC000216852754	568468267	/nfs/dbraw/zinc/46/82/67/568468267.db2.gz	HIOJTKBUDYDEDN-UHFFFAOYSA-N	0	0	407.543	4.486	40	70		HIIBRN
CC[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1	ZINC000218031916	568474624	/nfs/dbraw/zinc/47/46/24/568474624.db2.gz	IXNBZVZQQPKGMQ-GOSISDBHSA-N	0	0	411.976	4.244	40	70		HIIBRN
CCCOc1ccccc1CCCNC(=O)CN1c2cccc3cccc(c23)C1=O	ZINC000218317648	568478300	/nfs/dbraw/zinc/47/83/00/568478300.db2.gz	HYGNZQKVVAPKRH-UHFFFAOYSA-N	0	0	402.494	4.338	40	70		HIIBRN
CC[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(OC)c(OC)c1	ZINC000218319751	568478332	/nfs/dbraw/zinc/47/83/32/568478332.db2.gz	SNFPXPGOTYYLMM-GOSISDBHSA-N	0	0	404.466	4.085	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218379590	568479531	/nfs/dbraw/zinc/47/95/31/568479531.db2.gz	XPRQRDDJLXNZPR-KNQAVFIVSA-N	0	0	416.587	4.342	40	70		HIIBRN
Cc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl	ZINC000218467856	568480723	/nfs/dbraw/zinc/48/07/23/568480723.db2.gz	ADHUHBSRFHMKII-LBPRGKRZSA-N	0	0	401.315	4.095	40	70		HIIBRN
COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O	ZINC000218483459	568481017	/nfs/dbraw/zinc/48/10/17/568481017.db2.gz	AOYVRDKJNJEECH-OAHLLOKOSA-N	0	0	424.950	4.067	40	70		HIIBRN
Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000218504108	568481060	/nfs/dbraw/zinc/48/10/60/568481060.db2.gz	QWQPGHOBAWOOCI-UHFFFAOYSA-N	0	0	416.543	4.209	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218550085	568481600	/nfs/dbraw/zinc/48/16/00/568481600.db2.gz	QRGZMFIBWMKVOX-TZIWHRDSSA-N	0	0	416.587	4.342	40	70		HIIBRN
Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	ZINC000218555324	568481749	/nfs/dbraw/zinc/48/17/49/568481749.db2.gz	UCDCGICGVAKNLJ-DLBZAZTESA-N	0	0	422.978	4.297	40	70		HIIBRN
COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1	ZINC000218716922	568483068	/nfs/dbraw/zinc/48/30/68/568483068.db2.gz	OHZDNSCFTUJFSF-CQSZACIVSA-N	0	0	415.877	4.099	40	70		HIIBRN
CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000218038884	568474773	/nfs/dbraw/zinc/47/47/73/568474773.db2.gz	FRDSJGHURJURIR-GOSISDBHSA-N	0	0	411.976	4.244	40	70		HIIBRN
C[C@@H](C(=O)NC1CCCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218492102	568481035	/nfs/dbraw/zinc/48/10/35/568481035.db2.gz	XCSFFLBYUNYGQG-ZDUSSCGKSA-N	0	0	421.390	4.377	40	70		HIIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C	ZINC000218506412	568481145	/nfs/dbraw/zinc/48/11/45/568481145.db2.gz	QOIPNPBGSDRLDF-IBGZPJMESA-N	0	0	414.571	4.277	40	70		HIIBRN
COc1ccc(OCCCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	ZINC000218743354	568483191	/nfs/dbraw/zinc/48/31/91/568483191.db2.gz	MTYDTAZVTCDZDE-UHFFFAOYSA-N	0	0	415.877	4.216	40	70		HIIBRN
CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O	ZINC000218777428	568483522	/nfs/dbraw/zinc/48/35/22/568483522.db2.gz	FILZWBLXYPTQJF-MRXNPFEDSA-N	0	0	402.560	4.261	40	70		HIIBRN
CSc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N2CCN(C)CC2)n1	ZINC000216852129	568468323	/nfs/dbraw/zinc/46/83/23/568468323.db2.gz	VSBSBVDGTMBDIX-UHFFFAOYSA-N	0	0	407.543	4.486	40	70		HIIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN1c2cccc3cccc(c23)C1=O	ZINC000218319208	568478313	/nfs/dbraw/zinc/47/83/13/568478313.db2.gz	FDEGLYAFKCELQI-LJQANCHMSA-N	0	0	416.477	4.227	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218370330	568479247	/nfs/dbraw/zinc/47/92/47/568479247.db2.gz	UFGNZIHACYJBTL-SIKLNZKXSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218370206	568479266	/nfs/dbraw/zinc/47/92/66/568479266.db2.gz	UFGNZIHACYJBTL-DENIHFKCSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218370701	568479391	/nfs/dbraw/zinc/47/93/91/568479391.db2.gz	UKHKKHARGNOUSX-UGKGYDQZSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218379687	568479459	/nfs/dbraw/zinc/47/94/59/568479459.db2.gz	XPRQRDDJLXNZPR-SIKLNZKXSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218386230	568479594	/nfs/dbraw/zinc/47/95/94/568479594.db2.gz	XCJHTMIMYXCKHD-UZLBHIALSA-N	0	0	422.978	4.379	40	70		HIIBRN
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1	ZINC000218440771	568480465	/nfs/dbraw/zinc/48/04/65/568480465.db2.gz	PDHPMSNTZHXROX-UHFFFAOYSA-N	0	0	402.516	4.046	40	70		HIIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1C	ZINC000218635382	568482621	/nfs/dbraw/zinc/48/26/21/568482621.db2.gz	NQTFQTCEUCKEAV-MRXNPFEDSA-N	0	0	420.962	4.232	40	70		HIIBRN
COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)c1OC	ZINC000218708595	568483030	/nfs/dbraw/zinc/48/30/30/568483030.db2.gz	SQZHILSPUUGRMR-CQSZACIVSA-N	0	0	407.894	4.066	40	70		HIIBRN
CCN(c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1)S(C)(=O)=O	ZINC000218780014	568483546	/nfs/dbraw/zinc/48/35/46/568483546.db2.gz	KNRLVTUJGGPBGI-UHFFFAOYSA-N	0	0	402.516	4.046	40	70		HIIBRN
COc1ccc(CSCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	ZINC000218118365	568475253	/nfs/dbraw/zinc/47/52/53/568475253.db2.gz	SQBVNUFNHRBOAZ-UHFFFAOYSA-N	0	0	417.918	4.290	40	70		HIIBRN
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)c(C)c1	ZINC000218513273	568481221	/nfs/dbraw/zinc/48/12/21/568481221.db2.gz	BTWMYMMWDKYIQQ-OAQYLSRUSA-N	0	0	414.571	4.277	40	70		HIIBRN
Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218517199	568481416	/nfs/dbraw/zinc/48/14/16/568481416.db2.gz	ZVKGXJSRTWXUSB-UHFFFAOYSA-N	0	0	406.592	4.402	40	70		HIIBRN
Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C	ZINC000218560004	568481790	/nfs/dbraw/zinc/48/17/90/568481790.db2.gz	JIIFBJAFCAFFBH-HXUWFJFHSA-N	0	0	416.587	4.344	40	70		HIIBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	ZINC000218760855	568483435	/nfs/dbraw/zinc/48/34/35/568483435.db2.gz	HIPZWEHKHMNNTJ-GOSISDBHSA-N	0	0	415.877	4.215	40	70		HIIBRN
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1	ZINC000216775366	568467089	/nfs/dbraw/zinc/46/70/89/568467089.db2.gz	OGCDIYCUPSXCFW-HXUWFJFHSA-N	0	0	402.420	4.185	40	70		HIIBRN
COc1cccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3Cl)n2)c1	ZINC000217838543	568474079	/nfs/dbraw/zinc/47/40/79/568474079.db2.gz	MKKXDPQVPVQHNA-UHFFFAOYSA-N	0	0	422.268	4.089	40	70		HIIBRN
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2	ZINC000217949576	568474328	/nfs/dbraw/zinc/47/43/28/568474328.db2.gz	HWDBUEUSWVOIMP-NFVGHHCFSA-N	0	0	416.905	4.479	40	70		HIIBRN
CC[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1	ZINC000218032008	568474626	/nfs/dbraw/zinc/47/46/26/568474626.db2.gz	IXNBZVZQQPKGMQ-SFHVURJKSA-N	0	0	411.976	4.244	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218360372	568479194	/nfs/dbraw/zinc/47/91/94/568479194.db2.gz	PZIZSNQHLPGPMF-WIYYLYMNSA-N	0	0	402.560	4.034	40	70		HIIBRN
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1	ZINC000218357498	568479228	/nfs/dbraw/zinc/47/92/28/568479228.db2.gz	HNWVECSCEJWNIF-KRWDZBQOSA-N	0	0	416.543	4.110	40	70		HIIBRN
COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000218515381	568481209	/nfs/dbraw/zinc/48/12/09/568481209.db2.gz	FOWHZGAKNFKNLJ-UHFFFAOYSA-N	0	0	416.543	4.129	40	70		HIIBRN
O=C(Cc1ccc(Cl)cc1)NCc1nc(-c2cccc(Br)c2)no1	ZINC000218531365	568481529	/nfs/dbraw/zinc/48/15/29/568481529.db2.gz	JNCXPSMDPIMSCF-UHFFFAOYSA-N	0	0	406.667	4.011	40	70		HIIBRN
C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	ZINC000218682494	568482910	/nfs/dbraw/zinc/48/29/10/568482910.db2.gz	CZNDQIPBWPBZDR-LBPRGKRZSA-N	0	0	406.269	4.469	40	70		HIIBRN
CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(Br)c3)nn2)cc1	ZINC000216769622	568466950	/nfs/dbraw/zinc/46/69/50/568466950.db2.gz	ZYUKXDJVTQVBLL-FQEVSTJZSA-N	0	0	413.319	4.187	40	70		HIIBRN
CSc1nc(Nc2ccc(OCc3ccccc3)cc2)cc(N2CCN(C)CC2)n1	ZINC000216852086	568468279	/nfs/dbraw/zinc/46/82/79/568468279.db2.gz	FVMUOYGTLQASTQ-UHFFFAOYSA-N	0	0	421.570	4.273	40	70		HIIBRN
Cc1cc(C(=O)NCCSC(C)(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2	ZINC000216891834	568469073	/nfs/dbraw/zinc/46/90/73/568469073.db2.gz	YZYUCYSHKMWUSM-UHFFFAOYSA-N	0	0	418.584	4.062	40	70		HIIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C(C)(C)C)cc3)n2)c(OC)c1	ZINC000217860730	568474091	/nfs/dbraw/zinc/47/40/91/568474091.db2.gz	RROMEDILNWHDPY-UHFFFAOYSA-N	0	0	409.486	4.324	40	70		HIIBRN
CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218045226	568474823	/nfs/dbraw/zinc/47/48/23/568474823.db2.gz	LZPPHSPPYWLNRX-GOSISDBHSA-N	0	0	411.976	4.244	40	70		HIIBRN
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CCc1ccccc1	ZINC000218174121	568476048	/nfs/dbraw/zinc/47/60/48/568476048.db2.gz	RTIULLKUPVCFMF-UHFFFAOYSA-N	0	0	400.276	4.090	40	70		HIIBRN
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC	ZINC000218186974	568476126	/nfs/dbraw/zinc/47/61/26/568476126.db2.gz	LKVPXUCPWCRARH-FYWRMAATSA-N	0	0	413.514	4.263	40	70		HIIBRN
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1	ZINC000218388435	568479637	/nfs/dbraw/zinc/47/96/37/568479637.db2.gz	CTRVIVGFMJGYES-QGZVFWFLSA-N	0	0	424.522	4.011	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218478151	568480875	/nfs/dbraw/zinc/48/08/75/568480875.db2.gz	OMBVAQSMXPQAEM-JXFKEZNVSA-N	0	0	422.978	4.379	40	70		HIIBRN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2c(ccc3ccccc23)o1	ZINC000218495870	568480955	/nfs/dbraw/zinc/48/09/55/568480955.db2.gz	BDWQSJYRBCQQSW-UHFFFAOYSA-N	0	0	420.490	4.039	40	70		HIIBRN
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)Cc1ccc(Cl)cc1	ZINC000218531835	568481491	/nfs/dbraw/zinc/48/14/91/568481491.db2.gz	DHRHUCCLUPXBFM-UHFFFAOYSA-N	0	0	420.694	4.354	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218550176	568481612	/nfs/dbraw/zinc/48/16/12/568481612.db2.gz	QRGZMFIBWMKVOX-CTNGQTDRSA-N	0	0	416.587	4.342	40	70		HIIBRN
COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	ZINC000218670127	568482778	/nfs/dbraw/zinc/48/27/78/568482778.db2.gz	JGGBFBYLOXNQOP-OAHLLOKOSA-N	0	0	409.486	4.126	40	70		HIIBRN
CC[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218745589	568483313	/nfs/dbraw/zinc/48/33/13/568483313.db2.gz	UOZPWZWVDLWTGP-OAQYLSRUSA-N	0	0	420.550	4.256	40	70		HIIBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	ZINC000218760954	568483461	/nfs/dbraw/zinc/48/34/61/568483461.db2.gz	DJCFPJAZMUIQSA-GOSISDBHSA-N	0	0	415.877	4.215	40	70		HIIBRN
O=C1CS[C@@H](c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)N1Cc1ccccc1	ZINC000216683254	568466364	/nfs/dbraw/zinc/46/63/64/568466364.db2.gz	VMDAHLSQTFSQGA-IBGZPJMESA-N	0	0	418.444	4.119	40	70		HIIBRN
O=C(/C=C/c1ccc(Cl)cc1)NCc1nc(-c2cccc(Br)c2)no1	ZINC000217961978	568474289	/nfs/dbraw/zinc/47/42/89/568474289.db2.gz	ODLFKSCCQCVUSI-RMKNXTFCSA-N	0	0	418.678	4.482	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OC)c1	ZINC000217955186	568474292	/nfs/dbraw/zinc/47/42/92/568474292.db2.gz	SQZXJPIOCJNKBX-MDWZMJQESA-N	0	0	421.497	4.381	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000217993678	568474425	/nfs/dbraw/zinc/47/44/25/568474425.db2.gz	URBWXSJNTAKZEU-SCLBCKFNSA-N	0	0	411.976	4.492	40	70		HIIBRN
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(OC)c1OC	ZINC000218187893	568476201	/nfs/dbraw/zinc/47/62/01/568476201.db2.gz	GIMFWYVNWFTTRU-ZPHJMFTNSA-N	0	0	411.498	4.453	40	70		HIIBRN
CCCOc1ccccc1CCCNC(=O)c1ccccc1I	ZINC000218216777	568476515	/nfs/dbraw/zinc/47/65/15/568476515.db2.gz	KPNGALIGHDRERD-UHFFFAOYSA-N	0	0	423.294	4.443	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218360950	568479142	/nfs/dbraw/zinc/47/91/42/568479142.db2.gz	CZLQAGMFPFFYSR-RXVVDRJESA-N	0	0	402.560	4.034	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218477917	568480880	/nfs/dbraw/zinc/48/08/80/568480880.db2.gz	OMBVAQSMXPQAEM-OXQOHEQNSA-N	0	0	422.978	4.379	40	70		HIIBRN
COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O	ZINC000218483372	568480999	/nfs/dbraw/zinc/48/09/99/568480999.db2.gz	AOYVRDKJNJEECH-HNNXBMFYSA-N	0	0	424.950	4.067	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000217993540	568474404	/nfs/dbraw/zinc/47/44/04/568474404.db2.gz	URBWXSJNTAKZEU-FZKQIMNGSA-N	0	0	411.976	4.492	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1	ZINC000217994502	568474446	/nfs/dbraw/zinc/47/44/46/568474446.db2.gz	RCAHUAMJMCCEMG-LBPRGKRZSA-N	0	0	403.891	4.196	40	70		HIIBRN
COc1cccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)c1	ZINC000218040208	568474867	/nfs/dbraw/zinc/47/48/67/568474867.db2.gz	TUSNCRUVYOFARI-UHFFFAOYSA-N	0	0	417.918	4.290	40	70		HIIBRN
CC[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218106389	568475169	/nfs/dbraw/zinc/47/51/69/568475169.db2.gz	PJBUSOAPDFJKPA-QEQIRTOISA-N	0	0	409.507	4.491	40	70		HIIBRN
CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(OC)c(OC)c1	ZINC000218189212	568476114	/nfs/dbraw/zinc/47/61/14/568476114.db2.gz	LAAYAXAJORWLAH-JIIJFUIFSA-N	0	0	415.486	4.010	40	70		HIIBRN
CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(OC)c(OC)c1	ZINC000218189312	568476133	/nfs/dbraw/zinc/47/61/33/568476133.db2.gz	LAAYAXAJORWLAH-RTGRKSDTSA-N	0	0	415.486	4.010	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218360590	568479145	/nfs/dbraw/zinc/47/91/45/568479145.db2.gz	PZIZSNQHLPGPMF-RXVVDRJESA-N	0	0	402.560	4.034	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218370409	568479284	/nfs/dbraw/zinc/47/92/84/568479284.db2.gz	UFGNZIHACYJBTL-UGKGYDQZSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218386164	568479643	/nfs/dbraw/zinc/47/96/43/568479643.db2.gz	XCJHTMIMYXCKHD-OXQOHEQNSA-N	0	0	422.978	4.379	40	70		HIIBRN
COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000218408152	568479835	/nfs/dbraw/zinc/47/98/35/568479835.db2.gz	MQLCCHVURMBKIB-UHFFFAOYSA-N	0	0	424.522	4.077	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218478065	568480868	/nfs/dbraw/zinc/48/08/68/568480868.db2.gz	OMBVAQSMXPQAEM-OXJNMPFZSA-N	0	0	422.978	4.379	40	70		HIIBRN
Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1	ZINC000218552927	568481808	/nfs/dbraw/zinc/48/18/08/568481808.db2.gz	ATQKGNLWIPOKRC-DLBZAZTESA-N	0	0	422.978	4.297	40	70		HIIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3Cl)n2)c(OC)c1	ZINC000217857257	568474123	/nfs/dbraw/zinc/47/41/23/568474123.db2.gz	MRFSMYPMHSAMNJ-UHFFFAOYSA-N	0	0	422.268	4.333	40	70		HIIBRN
COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1	ZINC000218195813	568476130	/nfs/dbraw/zinc/47/61/30/568476130.db2.gz	CUFMXWPQXSWTIL-CQSZACIVSA-N	0	0	424.360	4.275	40	70		HIIBRN
COc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)c(OC)c1OC	ZINC000218200259	568476286	/nfs/dbraw/zinc/47/62/86/568476286.db2.gz	KLRUYFWUNXKDQS-UHFFFAOYSA-N	0	0	413.898	4.055	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218360703	568479231	/nfs/dbraw/zinc/47/92/31/568479231.db2.gz	CZLQAGMFPFFYSR-WIYYLYMNSA-N	0	0	402.560	4.034	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218386716	568479573	/nfs/dbraw/zinc/47/95/73/568479573.db2.gz	NQPHOXLDQHSLJA-JXFKEZNVSA-N	0	0	422.978	4.379	40	70		HIIBRN
CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	ZINC000218483821	568480989	/nfs/dbraw/zinc/48/09/89/568480989.db2.gz	SICLAIAFAMYDCY-AWEZNQCLSA-N	0	0	424.950	4.013	40	70		HIIBRN
CC(C)Oc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1	ZINC000218522920	568481350	/nfs/dbraw/zinc/48/13/50/568481350.db2.gz	ZITPEMPDADXPCL-UHFFFAOYSA-N	0	0	422.934	4.164	40	70		HIIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(C)c(C)c1	ZINC000218623951	568482508	/nfs/dbraw/zinc/48/25/08/568482508.db2.gz	VPLQEEZQJLDMDH-QFIPXVFZSA-N	0	0	414.571	4.277	40	70		HIIBRN
COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC	ZINC000218712407	568482944	/nfs/dbraw/zinc/48/29/44/568482944.db2.gz	RQFANCINUQQWBT-MRXNPFEDSA-N	0	0	405.922	4.490	40	70		HIIBRN
O=C1CS[C@H](c2cn(Cc3ccccc3C(F)(F)F)nn2)N1Cc1ccccc1	ZINC000216683187	568466369	/nfs/dbraw/zinc/46/63/69/568466369.db2.gz	GBXBHZMQOBUUKW-LJQANCHMSA-N	0	0	418.444	4.119	40	70		HIIBRN
CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1	ZINC000216769734	568466974	/nfs/dbraw/zinc/46/69/74/568466974.db2.gz	LSAFSORKVUEWDZ-FQEVSTJZSA-N	0	0	402.420	4.443	40	70		HIIBRN
C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1	ZINC000216941751	568469609	/nfs/dbraw/zinc/46/96/09/568469609.db2.gz	LHVWEFGPPXLDFB-UHFFFAOYSA-N	0	0	415.342	4.267	40	70		HIIBRN
O=C1C[C@H](N2Cc3[nH]c4ccccc4c3[C@@H](c3ccccc3)C2)C(=O)N1c1ccccc1	ZINC000217820531	568474118	/nfs/dbraw/zinc/47/41/18/568474118.db2.gz	OYMXKRWBPZMFCD-QPPBQGQZSA-N	0	0	421.500	4.448	40	70		HIIBRN
COc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)cc1	ZINC000218040320	568474920	/nfs/dbraw/zinc/47/49/20/568474920.db2.gz	PWZNTRUVFPBDQD-UHFFFAOYSA-N	0	0	417.918	4.290	40	70		HIIBRN
COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(OC)c1OC	ZINC000218188082	568476144	/nfs/dbraw/zinc/47/61/44/568476144.db2.gz	NXSLMMDOVZERBL-ZPHJMFTNSA-N	0	0	411.498	4.453	40	70		HIIBRN
Cc1cccc(-c2noc(CNC(=O)CSCc3c(F)cccc3Cl)n2)c1	ZINC000218205017	568476385	/nfs/dbraw/zinc/47/63/85/568476385.db2.gz	NIQVBYWIMMJRHG-UHFFFAOYSA-N	0	0	405.882	4.387	40	70		HIIBRN
COc1ccc(C)cc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O	ZINC000218313291	568478237	/nfs/dbraw/zinc/47/82/37/568478237.db2.gz	IHCIMLZWKJOVKK-UHFFFAOYSA-N	0	0	424.522	4.222	40	70		HIIBRN
C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218471389	568480751	/nfs/dbraw/zinc/48/07/51/568480751.db2.gz	WNLIJJDAOZHEHO-JTQLQIEISA-N	0	0	421.733	4.440	40	70		HIIBRN
Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCCCC1	ZINC000218504208	568481123	/nfs/dbraw/zinc/48/11/23/568481123.db2.gz	IYUHSDUZBPYHJS-UHFFFAOYSA-N	0	0	416.543	4.209	40	70		HIIBRN
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1C	ZINC000218513504	568481253	/nfs/dbraw/zinc/48/12/53/568481253.db2.gz	IVZPCWSXQHSINE-NRFANRHFSA-N	0	0	414.571	4.277	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218550308	568481657	/nfs/dbraw/zinc/48/16/57/568481657.db2.gz	QRGZMFIBWMKVOX-FPOVZHCZSA-N	0	0	416.587	4.342	40	70		HIIBRN
COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(OC)c1OC	ZINC000218662146	568482800	/nfs/dbraw/zinc/48/28/00/568482800.db2.gz	HETXDYMSEPBEOM-OAHLLOKOSA-N	0	0	401.503	4.094	40	70		HIIBRN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	ZINC000218682263	568482865	/nfs/dbraw/zinc/48/28/65/568482865.db2.gz	OBDJYEUQDCFHPA-GFCCVEGCSA-N	0	0	406.269	4.469	40	70		HIIBRN
Cc1ccc(C)c(N(CCCC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1	ZINC000218747882	568483286	/nfs/dbraw/zinc/48/32/86/568483286.db2.gz	XHRXLZNVRITLHC-HXUWFJFHSA-N	0	0	416.587	4.344	40	70		HIIBRN
O=C1CS[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1Cc1ccccc1	ZINC000216682460	568466401	/nfs/dbraw/zinc/46/64/01/568466401.db2.gz	WGMQULUTMRSIII-IBGZPJMESA-N	0	0	418.444	4.119	40	70		HIIBRN
CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1	ZINC000217838089	568474053	/nfs/dbraw/zinc/47/40/53/568474053.db2.gz	ALAYGVVOWGUJNK-MRXNPFEDSA-N	0	0	416.326	4.043	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000217993617	568474416	/nfs/dbraw/zinc/47/44/16/568474416.db2.gz	URBWXSJNTAKZEU-ACJLOTCBSA-N	0	0	411.976	4.492	40	70		HIIBRN
COc1cccc(-c2noc(CN(C)C(=O)CSCc3ccccc3Cl)n2)c1	ZINC000218033427	568474741	/nfs/dbraw/zinc/47/47/41/568474741.db2.gz	GMQHJJWJXGXKKV-UHFFFAOYSA-N	0	0	417.918	4.290	40	70		HIIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN1c2cccc3cccc(c23)C1=O	ZINC000218319128	568478361	/nfs/dbraw/zinc/47/83/61/568478361.db2.gz	FDEGLYAFKCELQI-IBGZPJMESA-N	0	0	416.477	4.227	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218478261	568480818	/nfs/dbraw/zinc/48/08/18/568480818.db2.gz	DSURWXYPDDITQV-OXQOHEQNSA-N	0	0	422.978	4.379	40	70		HIIBRN
CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	ZINC000218483743	568480949	/nfs/dbraw/zinc/48/09/49/568480949.db2.gz	SICLAIAFAMYDCY-CQSZACIVSA-N	0	0	424.950	4.013	40	70		HIIBRN
Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218516607	568481446	/nfs/dbraw/zinc/48/14/46/568481446.db2.gz	NZESPIVISOYTPH-UHFFFAOYSA-N	0	0	408.470	4.090	40	70		HIIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(C)cc1C	ZINC000218624049	568482517	/nfs/dbraw/zinc/48/25/17/568482517.db2.gz	AJXZTSCAUSZNIP-JOCHJYFZSA-N	0	0	414.571	4.277	40	70		HIIBRN
COc1ccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1	ZINC000218738908	568483170	/nfs/dbraw/zinc/48/31/70/568483170.db2.gz	VQRCHHSZNBJXIE-UHFFFAOYSA-N	0	0	415.877	4.216	40	70		HIIBRN
CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1	ZINC000217838152	568474083	/nfs/dbraw/zinc/47/40/83/568474083.db2.gz	ALAYGVVOWGUJNK-INIZCTEOSA-N	0	0	416.326	4.043	40	70		HIIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3)n2)c(OC)c1	ZINC000217962646	568474306	/nfs/dbraw/zinc/47/43/06/568474306.db2.gz	BDEQFGAAFYWRSN-IZZDOVSWSA-N	0	0	413.861	4.079	40	70		HIIBRN
Cc1ccc(SCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000217979096	568474434	/nfs/dbraw/zinc/47/44/34/568474434.db2.gz	RWLNYXHDQRGYLY-UHFFFAOYSA-N	0	0	418.316	4.216	40	70		HIIBRN
O=C(CCSc1ccccc1)NCc1nc(-c2cccc(Br)c2)no1	ZINC000218084647	568475084	/nfs/dbraw/zinc/47/50/84/568475084.db2.gz	BKBVIRBWEQIXDJ-UHFFFAOYSA-N	0	0	418.316	4.298	40	70		HIIBRN
COc1cccc(-c2noc(CNC(=O)CCSc3ccc(Cl)cc3)n2)c1	ZINC000218090629	568475152	/nfs/dbraw/zinc/47/51/52/568475152.db2.gz	USBVYAMNGWMFKM-UHFFFAOYSA-N	0	0	403.891	4.197	40	70		HIIBRN
COc1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1	ZINC000218195719	568476203	/nfs/dbraw/zinc/47/62/03/568476203.db2.gz	YGLGIVGGGIHXQY-UHFFFAOYSA-N	0	0	408.361	4.440	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)CSCc3c(F)cccc3Cl)n2)cc1	ZINC000218205132	568476405	/nfs/dbraw/zinc/47/64/05/568476405.db2.gz	OXWQDENCYDIXCE-UHFFFAOYSA-N	0	0	421.881	4.087	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218370639	568479343	/nfs/dbraw/zinc/47/93/43/568479343.db2.gz	UKHKKHARGNOUSX-SIKLNZKXSA-N	0	0	416.587	4.342	40	70		HIIBRN
CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218470237	568480774	/nfs/dbraw/zinc/48/07/74/568480774.db2.gz	VDSVWIRAQYBLRR-CQSZACIVSA-N	0	0	408.951	4.258	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1	ZINC000218670308	568482835	/nfs/dbraw/zinc/48/28/35/568482835.db2.gz	WUQFHJWOCXPDEG-OAHLLOKOSA-N	0	0	409.486	4.126	40	70		HIIBRN
COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	ZINC000218670201	568482860	/nfs/dbraw/zinc/48/28/60/568482860.db2.gz	JGGBFBYLOXNQOP-HNNXBMFYSA-N	0	0	409.486	4.126	40	70		HIIBRN
COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(OC)c1OC	ZINC000218711580	568483009	/nfs/dbraw/zinc/48/30/09/568483009.db2.gz	KXMOGKBDYLUYPI-CQSZACIVSA-N	0	0	407.894	4.066	40	70		HIIBRN
CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218738181	568483233	/nfs/dbraw/zinc/48/32/33/568483233.db2.gz	KWJZDBWBNKSNSP-IBGZPJMESA-N	0	0	409.935	4.170	40	70		HIIBRN
C[C@@H](Sc1ccccc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1	ZINC000218062780	568474927	/nfs/dbraw/zinc/47/49/27/568474927.db2.gz	VBQQGACJAJMFTJ-GFCCVEGCSA-N	0	0	418.316	4.296	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218360869	568479139	/nfs/dbraw/zinc/47/91/39/568479139.db2.gz	CZLQAGMFPFFYSR-GHTZIAJQSA-N	0	0	402.560	4.034	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218386309	568479659	/nfs/dbraw/zinc/47/96/59/568479659.db2.gz	XCJHTMIMYXCKHD-OXJNMPFZSA-N	0	0	422.978	4.379	40	70		HIIBRN
C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218471410	568480742	/nfs/dbraw/zinc/48/07/42/568480742.db2.gz	WNLIJJDAOZHEHO-SNVBAGLBSA-N	0	0	421.733	4.440	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218550653	568481655	/nfs/dbraw/zinc/48/16/55/568481655.db2.gz	PPKBSPJTIZTURX-FPOVZHCZSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218738124	568483260	/nfs/dbraw/zinc/48/32/60/568483260.db2.gz	KWJZDBWBNKSNSP-LJQANCHMSA-N	0	0	409.935	4.170	40	70		HIIBRN
CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O	ZINC000218777351	568483511	/nfs/dbraw/zinc/48/35/11/568483511.db2.gz	FILZWBLXYPTQJF-INIZCTEOSA-N	0	0	402.560	4.261	40	70		HIIBRN
O=C1CS[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1Cc1ccccc1	ZINC000216682506	568466342	/nfs/dbraw/zinc/46/63/42/568466342.db2.gz	WGMQULUTMRSIII-LJQANCHMSA-N	0	0	418.444	4.119	40	70		HIIBRN
COc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)c1	ZINC000218106908	568475086	/nfs/dbraw/zinc/47/50/86/568475086.db2.gz	BGFNLXGNZGJTQU-XSFVSMFZSA-N	0	0	401.422	4.195	40	70		HIIBRN
COc1cc(CNC(=O)CSCc2c(F)cccc2Cl)cc(OC)c1OC	ZINC000218202148	568476304	/nfs/dbraw/zinc/47/63/04/568476304.db2.gz	SOHPZVJVTRHXDI-UHFFFAOYSA-N	0	0	413.898	4.055	40	70		HIIBRN
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCC1=CCCCC1	ZINC000218313604	568478199	/nfs/dbraw/zinc/47/81/99/568478199.db2.gz	NFNIIGOKFVRGDF-UHFFFAOYSA-N	0	0	412.555	4.273	40	70		HIIBRN
CC(C)Oc1cccc(CCCNC(=O)CN2c3cccc4cccc(c34)C2=O)c1	ZINC000218316961	568478343	/nfs/dbraw/zinc/47/83/43/568478343.db2.gz	UNEFXCHPSJBWQO-UHFFFAOYSA-N	0	0	402.494	4.336	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218478493	568480820	/nfs/dbraw/zinc/48/08/20/568480820.db2.gz	DSURWXYPDDITQV-JXFKEZNVSA-N	0	0	422.978	4.379	40	70		HIIBRN
Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	ZINC000218555391	568481791	/nfs/dbraw/zinc/48/17/91/568481791.db2.gz	UCDCGICGVAKNLJ-SJORKVTESA-N	0	0	422.978	4.297	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1	ZINC000218717164	568483143	/nfs/dbraw/zinc/48/31/43/568483143.db2.gz	UIEVJEPBJLGZRH-AWEZNQCLSA-N	0	0	415.877	4.099	40	70		HIIBRN
Cc1ccc(C)c(N(CCCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1	ZINC000218747832	568483344	/nfs/dbraw/zinc/48/33/44/568483344.db2.gz	XHRXLZNVRITLHC-FQEVSTJZSA-N	0	0	416.587	4.344	40	70		HIIBRN
O=C1CS[C@@H](c2cn(Cc3ccccc3C(F)(F)F)nn2)N1Cc1ccccc1	ZINC000216683140	568466344	/nfs/dbraw/zinc/46/63/44/568466344.db2.gz	GBXBHZMQOBUUKW-IBGZPJMESA-N	0	0	418.444	4.119	40	70		HIIBRN
CSc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(N2CCN(C)CC2)n1	ZINC000216851840	568468353	/nfs/dbraw/zinc/46/83/53/568468353.db2.gz	CHQLHXCKIUAWPO-UHFFFAOYSA-N	0	0	417.888	4.366	40	70		HIIBRN
COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1OC	ZINC000217926928	568474315	/nfs/dbraw/zinc/47/43/15/568474315.db2.gz	YVQZMQUQWFTPER-PKNBQFBNSA-N	0	0	413.861	4.079	40	70		HIIBRN
CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1c(F)cccc1Cl	ZINC000218206023	568476395	/nfs/dbraw/zinc/47/63/95/568476395.db2.gz	UKFADYFLPQSUDZ-UHFFFAOYSA-N	0	0	411.911	4.482	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218370577	568479362	/nfs/dbraw/zinc/47/93/62/568479362.db2.gz	UKHKKHARGNOUSX-KNQAVFIVSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218379330	568479515	/nfs/dbraw/zinc/47/95/15/568479515.db2.gz	BNEWLNSDXHPAFH-SIKLNZKXSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218386580	568479612	/nfs/dbraw/zinc/47/96/12/568479612.db2.gz	NQPHOXLDQHSLJA-UZLBHIALSA-N	0	0	422.978	4.379	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218386659	568479633	/nfs/dbraw/zinc/47/96/33/568479633.db2.gz	NQPHOXLDQHSLJA-OXJNMPFZSA-N	0	0	422.978	4.379	40	70		HIIBRN
C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218467969	568480709	/nfs/dbraw/zinc/48/07/09/568480709.db2.gz	SHROQFHRSRMIMS-NSHDSACASA-N	0	0	420.840	4.152	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218478414	568480834	/nfs/dbraw/zinc/48/08/34/568480834.db2.gz	DSURWXYPDDITQV-OXJNMPFZSA-N	0	0	422.978	4.379	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)n2)c(OC)c1	ZINC000218542859	568481642	/nfs/dbraw/zinc/48/16/42/568481642.db2.gz	NPNHEBVQGHTAIM-UHFFFAOYSA-N	0	0	423.513	4.300	40	70		HIIBRN
Cc1ccc([C@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C	ZINC000218560091	568481810	/nfs/dbraw/zinc/48/18/10/568481810.db2.gz	JIIFBJAFCAFFBH-FQEVSTJZSA-N	0	0	416.587	4.344	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1	ZINC000218717093	568483133	/nfs/dbraw/zinc/48/31/33/568483133.db2.gz	UIEVJEPBJLGZRH-CQSZACIVSA-N	0	0	415.877	4.099	40	70		HIIBRN
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1	ZINC000216769687	568466977	/nfs/dbraw/zinc/46/69/77/568466977.db2.gz	LSAFSORKVUEWDZ-HXUWFJFHSA-N	0	0	402.420	4.443	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1	ZINC000217994433	568474409	/nfs/dbraw/zinc/47/44/09/568474409.db2.gz	RCAHUAMJMCCEMG-GFCCVEGCSA-N	0	0	403.891	4.196	40	70		HIIBRN
CC(C)n1cc(CCCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21	ZINC000218050820	568474873	/nfs/dbraw/zinc/47/48/73/568474873.db2.gz	JUXYPBBRJLFDGR-PZJWPPBQSA-N	0	0	417.553	4.353	40	70		HIIBRN
O=C(CSCc1ccc(Br)cc1)NCc1nc(-c2ccccc2)no1	ZINC000218198654	568476250	/nfs/dbraw/zinc/47/62/50/568476250.db2.gz	FXSYLIMHIUMWGO-UHFFFAOYSA-N	0	0	418.316	4.049	40	70		HIIBRN
CCCOc1ccccc1CCCNC(=O)c1ccc(I)cc1	ZINC000218213298	568476526	/nfs/dbraw/zinc/47/65/26/568476526.db2.gz	QUQUQARDTQKLQH-UHFFFAOYSA-N	0	0	423.294	4.443	40	70		HIIBRN
CC[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(OC)c(OC)c1	ZINC000218319824	568478344	/nfs/dbraw/zinc/47/83/44/568478344.db2.gz	SNFPXPGOTYYLMM-SFHVURJKSA-N	0	0	404.466	4.085	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218360512	568479155	/nfs/dbraw/zinc/47/91/55/568479155.db2.gz	PZIZSNQHLPGPMF-GHTZIAJQSA-N	0	0	402.560	4.034	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218379191	568479566	/nfs/dbraw/zinc/47/95/66/568479566.db2.gz	BNEWLNSDXHPAFH-DENIHFKCSA-N	0	0	416.587	4.342	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218386504	568479575	/nfs/dbraw/zinc/47/95/75/568479575.db2.gz	NQPHOXLDQHSLJA-OXQOHEQNSA-N	0	0	422.978	4.379	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218669608	568482771	/nfs/dbraw/zinc/48/27/71/568482771.db2.gz	DIJHPJNFPKHLIS-IIBYNOLFSA-N	0	0	417.571	4.422	40	70		HIIBRN
Cc1ccc(C)c([C@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1	ZINC000218746560	568483288	/nfs/dbraw/zinc/48/32/88/568483288.db2.gz	FRIGTGKINAGPFE-FQEVSTJZSA-N	0	0	416.587	4.344	40	70		HIIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1	ZINC000218746506	568483296	/nfs/dbraw/zinc/48/32/96/568483296.db2.gz	FRIGTGKINAGPFE-HXUWFJFHSA-N	0	0	416.587	4.344	40	70		HIIBRN
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccccc1Cl	ZINC000217848844	568474076	/nfs/dbraw/zinc/47/40/76/568474076.db2.gz	BSGAUMJAVYLYOK-UHFFFAOYSA-N	0	0	406.667	4.425	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)cc1	ZINC000218107015	568475124	/nfs/dbraw/zinc/47/51/24/568475124.db2.gz	XEPRBAQPXKPCAX-XSFVSMFZSA-N	0	0	401.422	4.195	40	70		HIIBRN
Cc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	ZINC000218363846	568479216	/nfs/dbraw/zinc/47/92/16/568479216.db2.gz	PHECELUSKKXXRI-LJQANCHMSA-N	0	0	416.587	4.022	40	70		HIIBRN
Cc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl	ZINC000218467774	568480711	/nfs/dbraw/zinc/48/07/11/568480711.db2.gz	ADHUHBSRFHMKII-GFCCVEGCSA-N	0	0	401.315	4.095	40	70		HIIBRN
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218468060	568480735	/nfs/dbraw/zinc/48/07/35/568480735.db2.gz	SHROQFHRSRMIMS-LLVKDONJSA-N	0	0	420.840	4.152	40	70		HIIBRN
Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	ZINC000218555464	568481741	/nfs/dbraw/zinc/48/17/41/568481741.db2.gz	UCDCGICGVAKNLJ-IRXDYDNUSA-N	0	0	422.978	4.297	40	70		HIIBRN
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	ZINC000218555237	568481800	/nfs/dbraw/zinc/48/18/00/568481800.db2.gz	UCDCGICGVAKNLJ-IAGOWNOFSA-N	0	0	422.978	4.297	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218669844	568482740	/nfs/dbraw/zinc/48/27/40/568482740.db2.gz	DIJHPJNFPKHLIS-KKSFZXQISA-N	0	0	417.571	4.422	40	70		HIIBRN
COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	ZINC000218671474	568482883	/nfs/dbraw/zinc/48/28/83/568482883.db2.gz	OHAZLXQPCXNPJD-INIZCTEOSA-N	0	0	423.513	4.469	40	70		HIIBRN
CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000218716241	568483115	/nfs/dbraw/zinc/48/31/15/568483115.db2.gz	IDZXVOHDLBJYDG-DNVCBOLYSA-N	0	0	423.962	4.395	40	70		HIIBRN
COc1ccc(OCCCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1	ZINC000218743411	568483238	/nfs/dbraw/zinc/48/32/38/568483238.db2.gz	UYYXPOBECLXOLG-UHFFFAOYSA-N	0	0	415.877	4.216	40	70		HIIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3Cl)n2)c(OC)c1	ZINC000217903454	568474179	/nfs/dbraw/zinc/47/41/79/568474179.db2.gz	FYEPEFSKNJHZLN-DHZHZOJOSA-N	0	0	413.861	4.079	40	70		HIIBRN
COc1ccc(-c2noc(CN(C)C(=O)CSc3ccc(Cl)cc3)n2)cc1	ZINC000217984634	568474429	/nfs/dbraw/zinc/47/44/29/568474429.db2.gz	XYKMPAGZLCMITN-UHFFFAOYSA-N	0	0	403.891	4.149	40	70		HIIBRN
COc1cccc(CCCNC(=O)CSCc2ccc(Br)cc2)c1	ZINC000218195608	568476167	/nfs/dbraw/zinc/47/61/67/568476167.db2.gz	IMJJFGKXDQOCNM-UHFFFAOYSA-N	0	0	408.361	4.440	40	70		HIIBRN
O=C(CSCc1ccc(Br)cc1)NCc1nc(-c2cccs2)no1	ZINC000218199074	568476311	/nfs/dbraw/zinc/47/63/11/568476311.db2.gz	BHPVBBNACWCJTB-UHFFFAOYSA-N	0	0	424.345	4.110	40	70		HIIBRN
CCOc1ccc(CCCNC(=O)c2ccccc2I)cc1	ZINC000218216669	568476511	/nfs/dbraw/zinc/47/65/11/568476511.db2.gz	HJGSRVKTXDKHEH-UHFFFAOYSA-N	0	0	409.267	4.053	40	70		HIIBRN
O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccccc1C(=O)N1CCCCC1	ZINC000218315109	568478232	/nfs/dbraw/zinc/47/82/32/568478232.db2.gz	FWQBTHZSDWSLLV-UHFFFAOYSA-N	0	0	413.477	4.065	40	70		HIIBRN
CC(C)Oc1ccc(CCCNC(=O)CN2c3cccc4cccc(c34)C2=O)cc1	ZINC000218317058	568478303	/nfs/dbraw/zinc/47/83/03/568478303.db2.gz	GBRXCCURZVDBJF-UHFFFAOYSA-N	0	0	402.494	4.336	40	70		HIIBRN
Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218467429	568480755	/nfs/dbraw/zinc/48/07/55/568480755.db2.gz	BSNOJOAWKPLXRX-LBPRGKRZSA-N	0	0	401.315	4.095	40	70		HIIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000218504513	568481063	/nfs/dbraw/zinc/48/10/63/568481063.db2.gz	HNZQRPYFVCSBDA-LJQANCHMSA-N	0	0	414.571	4.277	40	70		HIIBRN
COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)c1OC	ZINC000218708659	568482954	/nfs/dbraw/zinc/48/29/54/568482954.db2.gz	SQZHILSPUUGRMR-AWEZNQCLSA-N	0	0	407.894	4.066	40	70		HIIBRN
CC[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218745715	568483305	/nfs/dbraw/zinc/48/33/05/568483305.db2.gz	JWTYPBQAADHHNY-OAQYLSRUSA-N	0	0	420.550	4.256	40	70		HIIBRN
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c(C)c1	ZINC000217418810	569356577	/nfs/dbraw/zinc/35/65/77/569356577.db2.gz	CKUGQILHAKTJEK-UHFFFAOYSA-N	0	0	400.544	4.475	40	70		HIIBRN
CC[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218106473	568475088	/nfs/dbraw/zinc/47/50/88/568475088.db2.gz	PJBUSOAPDFJKPA-CIPTZOQDSA-N	0	0	409.507	4.491	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)CCSc3ccc(Cl)cc3)n2)cc1	ZINC000218090745	568475093	/nfs/dbraw/zinc/47/50/93/568475093.db2.gz	REZDOJMQMRSCMY-UHFFFAOYSA-N	0	0	403.891	4.197	40	70		HIIBRN
COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(OC)c1OC	ZINC000218187978	568476136	/nfs/dbraw/zinc/47/61/36/568476136.db2.gz	GIMFWYVNWFTTRU-PEKVBPLLSA-N	0	0	411.498	4.453	40	70		HIIBRN
COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1	ZINC000218195899	568476180	/nfs/dbraw/zinc/47/61/80/568476180.db2.gz	CUFMXWPQXSWTIL-AWEZNQCLSA-N	0	0	424.360	4.275	40	70		HIIBRN
Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	ZINC000218363770	568479233	/nfs/dbraw/zinc/47/92/33/568479233.db2.gz	PHECELUSKKXXRI-IBGZPJMESA-N	0	0	416.587	4.022	40	70		HIIBRN
CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218470318	568480759	/nfs/dbraw/zinc/48/07/59/568480759.db2.gz	VDSVWIRAQYBLRR-AWEZNQCLSA-N	0	0	408.951	4.258	40	70		HIIBRN
Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218467623	568480763	/nfs/dbraw/zinc/48/07/63/568480763.db2.gz	YONOEXHSDOQPMW-LBPRGKRZSA-N	0	0	401.315	4.095	40	70		HIIBRN
C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218471198	568480806	/nfs/dbraw/zinc/48/08/06/568480806.db2.gz	UWSSHXRYGUZAQS-LLVKDONJSA-N	0	0	420.840	4.152	40	70		HIIBRN
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)c(C)c1	ZINC000218513343	568481205	/nfs/dbraw/zinc/48/12/05/568481205.db2.gz	BTWMYMMWDKYIQQ-NRFANRHFSA-N	0	0	414.571	4.277	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218550500	568481603	/nfs/dbraw/zinc/48/16/03/568481603.db2.gz	PPKBSPJTIZTURX-CTNGQTDRSA-N	0	0	416.587	4.342	40	70		HIIBRN
COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1	ZINC000218717000	568483066	/nfs/dbraw/zinc/48/30/66/568483066.db2.gz	OHZDNSCFTUJFSF-AWEZNQCLSA-N	0	0	415.877	4.099	40	70		HIIBRN
Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc(C)c1Cl	ZINC000218718795	568483118	/nfs/dbraw/zinc/48/31/18/568483118.db2.gz	SUJNHWVKBTVZIG-ZDUSSCGKSA-N	0	0	405.907	4.494	40	70		HIIBRN
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1	ZINC000216775411	568467096	/nfs/dbraw/zinc/46/70/96/568467096.db2.gz	OGCDIYCUPSXCFW-FQEVSTJZSA-N	0	0	402.420	4.185	40	70		HIIBRN
Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1	ZINC000218224408	568476586	/nfs/dbraw/zinc/47/65/86/568476586.db2.gz	PSVLYKGUYCPFCN-UHFFFAOYSA-N	0	0	414.571	4.419	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218360439	568479170	/nfs/dbraw/zinc/47/91/70/568479170.db2.gz	PZIZSNQHLPGPMF-NQIIRXRSSA-N	0	0	402.560	4.034	40	70		HIIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000218504594	568481080	/nfs/dbraw/zinc/48/10/80/568481080.db2.gz	HNZQRPYFVCSBDA-IBGZPJMESA-N	0	0	414.571	4.277	40	70		HIIBRN
CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000218522816	568481435	/nfs/dbraw/zinc/48/14/35/568481435.db2.gz	UKGOUIDIPHMLHO-UHFFFAOYSA-N	0	0	422.934	4.164	40	70		HIIBRN
O=C(COc1ccc(Cl)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000217838448	568474105	/nfs/dbraw/zinc/47/41/05/568474105.db2.gz	RHJWJYLPYFCUAX-UHFFFAOYSA-N	0	0	412.660	4.392	40	70		HIIBRN
CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000217993769	568474418	/nfs/dbraw/zinc/47/44/18/568474418.db2.gz	URBWXSJNTAKZEU-UGSOOPFHSA-N	0	0	411.976	4.492	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)c3ccc(-c4ccccc4)cc3)n2)c(OC)c1	ZINC000218166708	568476032	/nfs/dbraw/zinc/47/60/32/568476032.db2.gz	YXVGHCISFHFCIU-UHFFFAOYSA-N	0	0	415.449	4.351	40	70		HIIBRN
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC2CCCCCCC2)cc1	ZINC000218304963	568478106	/nfs/dbraw/zinc/47/81/06/568478106.db2.gz	SZCUBBCWVKHPDJ-UHFFFAOYSA-N	0	0	414.571	4.496	40	70		HIIBRN
CC[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218745770	568483317	/nfs/dbraw/zinc/48/33/17/568483317.db2.gz	JWTYPBQAADHHNY-NRFANRHFSA-N	0	0	420.550	4.256	40	70		HIIBRN
CC[C@H](Oc1ccc(OC)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1	ZINC000218761207	568483382	/nfs/dbraw/zinc/48/33/82/568483382.db2.gz	AGTVZGUFRSETLP-INIZCTEOSA-N	0	0	401.488	4.013	40	70		HIIBRN
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)c1	ZINC000216777261	568467100	/nfs/dbraw/zinc/46/71/00/568467100.db2.gz	AWPQGWZKSAQVDR-HXUWFJFHSA-N	0	0	402.420	4.185	40	70		HIIBRN
COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1	ZINC000218112010	568475196	/nfs/dbraw/zinc/47/51/96/568475196.db2.gz	AHILYUDEICECSS-UHFFFAOYSA-N	0	0	420.534	4.497	40	70		HIIBRN
COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1	ZINC000218115729	568475234	/nfs/dbraw/zinc/47/52/34/568475234.db2.gz	ZOEVVLVMDWHUGC-IBGZPJMESA-N	0	0	401.528	4.356	40	70		HIIBRN
COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1	ZINC000218115827	568475269	/nfs/dbraw/zinc/47/52/69/568475269.db2.gz	MRBKGEMEUAJWJB-LJQANCHMSA-N	0	0	401.528	4.356	40	70		HIIBRN
CN(CCCNC(=O)CSCc1ccc(Br)cc1)c1ccccc1	ZINC000218199695	568476277	/nfs/dbraw/zinc/47/62/77/568476277.db2.gz	MEIDXDUTUDCLMH-UHFFFAOYSA-N	0	0	407.377	4.325	40	70		HIIBRN
CCn1c2ccccc2c2cc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)ccc21	ZINC000218332410	568478608	/nfs/dbraw/zinc/47/86/08/568478608.db2.gz	PANXYVFDTOFJBX-UHFFFAOYSA-N	0	0	421.522	4.463	40	70		HIIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(C)cc1C	ZINC000218624118	568482522	/nfs/dbraw/zinc/48/25/22/568482522.db2.gz	AJXZTSCAUSZNIP-QFIPXVFZSA-N	0	0	414.571	4.277	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218669770	568482720	/nfs/dbraw/zinc/48/27/20/568482720.db2.gz	DIJHPJNFPKHLIS-HRAATJIYSA-N	0	0	417.571	4.422	40	70		HIIBRN
CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000218716312	568483092	/nfs/dbraw/zinc/48/30/92/568483092.db2.gz	IDZXVOHDLBJYDG-BEFAXECRSA-N	0	0	423.962	4.395	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000218716396	568483116	/nfs/dbraw/zinc/48/31/16/568483116.db2.gz	IDZXVOHDLBJYDG-HNAYVOBHSA-N	0	0	423.962	4.395	40	70		HIIBRN
CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	ZINC000218760992	568483433	/nfs/dbraw/zinc/48/34/33/568483433.db2.gz	DJCFPJAZMUIQSA-SFHVURJKSA-N	0	0	415.877	4.215	40	70		HIIBRN
COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1	ZINC000217909002	568474242	/nfs/dbraw/zinc/47/42/42/568474242.db2.gz	QTGYUTYHJGUPKJ-WEVVVXLNSA-N	0	0	404.253	4.382	40	70		HIIBRN
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218467548	568480727	/nfs/dbraw/zinc/48/07/27/568480727.db2.gz	YONOEXHSDOQPMW-GFCCVEGCSA-N	0	0	401.315	4.095	40	70		HIIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218550242	568481614	/nfs/dbraw/zinc/48/16/14/568481614.db2.gz	QRGZMFIBWMKVOX-PZJWPPBQSA-N	0	0	416.587	4.342	40	70		HIIBRN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	ZINC000218682434	568482848	/nfs/dbraw/zinc/48/28/48/568482848.db2.gz	CZNDQIPBWPBZDR-GFCCVEGCSA-N	0	0	406.269	4.469	40	70		HIIBRN
CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	ZINC000218760899	568483444	/nfs/dbraw/zinc/48/34/44/568483444.db2.gz	HIPZWEHKHMNNTJ-SFHVURJKSA-N	0	0	415.877	4.215	40	70		HIIBRN