smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	ZINC000216862738	568468653	/nfs/dbraw/zinc/46/86/53/568468653.db2.gz	RDHPCMCEEJKHIW-UHFFFAOYSA-N	0	0	415.559	3.054	40	70		HGIBRN
CC(C)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216884928	568469122	/nfs/dbraw/zinc/46/91/22/568469122.db2.gz	AYPZUZNJZFFTSF-UHFFFAOYSA-N	0	0	415.559	3.140	40	70		HGIBRN
COc1ccc(OCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000217842747	568474112	/nfs/dbraw/zinc/47/41/12/568474112.db2.gz	XZLWWAAOEOCHSH-UHFFFAOYSA-N	0	0	418.247	3.203	40	70		HGIBRN
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCOCC4)cc3)n2)c1	ZINC000218077123	568474978	/nfs/dbraw/zinc/47/49/78/568474978.db2.gz	LUPGELAVWQDPIV-UHFFFAOYSA-N	0	0	406.486	3.149	40	70		HGIBRN
Cc1ccc(SCCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1	ZINC000218146588	568475817	/nfs/dbraw/zinc/47/58/17/568475817.db2.gz	WMOJOYWEYDMPMX-UHFFFAOYSA-N	0	0	404.557	3.317	40	70		HGIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1	ZINC000218336271	568478577	/nfs/dbraw/zinc/47/85/77/568478577.db2.gz	RTFAKRRTTUAGBK-GOSISDBHSA-N	0	0	402.516	3.423	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218369095	568479289	/nfs/dbraw/zinc/47/92/89/568479289.db2.gz	SACHFVGYEIOLNO-MOPGFXCFSA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O	ZINC000218375366	568479365	/nfs/dbraw/zinc/47/93/65/568479365.db2.gz	RAHQNBCONCILMU-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1	ZINC000218643693	568482618	/nfs/dbraw/zinc/48/26/18/568482618.db2.gz	PHXWCAIXUMGLGO-UHFFFAOYSA-N	0	0	420.878	3.082	40	70		HGIBRN
CN(CCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1	ZINC000218746286	568483340	/nfs/dbraw/zinc/48/33/40/568483340.db2.gz	FLMBFKXAWJKUPG-UHFFFAOYSA-N	0	0	421.538	3.015	40	70		HGIBRN
CC[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1	ZINC000218763275	568483443	/nfs/dbraw/zinc/48/34/43/568483443.db2.gz	LAWDTXLXQCHPFW-OAQYLSRUSA-N	0	0	418.559	3.341	40	70		HGIBRN
CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)cc1C	ZINC000218768345	568483455	/nfs/dbraw/zinc/48/34/55/568483455.db2.gz	QTWWGDZGSFDOPW-HXUWFJFHSA-N	0	0	421.538	3.323	40	70		HGIBRN
CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1	ZINC000216875682	568469002	/nfs/dbraw/zinc/46/90/02/568469002.db2.gz	KSMHZHZAXQEBMU-UHFFFAOYSA-N	0	0	421.950	3.091	40	70		HGIBRN
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000216940251	568469409	/nfs/dbraw/zinc/46/94/09/568469409.db2.gz	ISXRXHPEOVLTBF-UHFFFAOYSA-N	0	0	415.559	3.258	40	70		HGIBRN
CCc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(C)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217591757	568473002	/nfs/dbraw/zinc/47/30/02/568473002.db2.gz	ONUBWOOSJJPPIG-CZYKHXBRSA-N	0	0	402.494	3.393	40	70		HGIBRN
CC(C)Oc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)[nH]n2)cc1	ZINC000218057954	568474887	/nfs/dbraw/zinc/47/48/87/568474887.db2.gz	CQACPCBXEVQIFL-FUHWJXTLSA-N	0	0	418.497	3.285	40	70		HGIBRN
CC(C)CCNC(=O)c1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000218055874	568474899	/nfs/dbraw/zinc/47/48/99/568474899.db2.gz	BWQBILQWHDLDDQ-ZWKOTPCHSA-N	0	0	422.529	3.275	40	70		HGIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000218130312	568475370	/nfs/dbraw/zinc/47/53/70/568475370.db2.gz	MFAVVNWWQSRVLQ-UHFFFAOYSA-N	0	0	403.460	3.486	40	70		HGIBRN
COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000218274794	568477192	/nfs/dbraw/zinc/47/71/92/568477192.db2.gz	DMSWYBDHAFLSGT-OAHLLOKOSA-N	0	0	424.950	3.252	40	70		HGIBRN
CC[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(S(C)(=O)=O)cc1	ZINC000218319924	568478398	/nfs/dbraw/zinc/47/83/98/568478398.db2.gz	QNBSZNRGEDURNL-LJQANCHMSA-N	0	0	422.506	3.471	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	ZINC000218375804	568479349	/nfs/dbraw/zinc/47/93/49/568479349.db2.gz	WFSHCHMOOZFDGU-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	ZINC000218378233	568479404	/nfs/dbraw/zinc/47/94/04/568479404.db2.gz	IJIIEMVOLXAPQC-OALUTQOASA-N	0	0	418.559	3.350	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000218385699	568479577	/nfs/dbraw/zinc/47/95/77/568479577.db2.gz	GVIWJEOBXXBWMC-HOTGVXAUSA-N	0	0	424.950	3.387	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218546562	568481607	/nfs/dbraw/zinc/48/16/07/568481607.db2.gz	NQWXLUYGUNPEPA-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1	ZINC000218546303	568481610	/nfs/dbraw/zinc/48/16/10/568481610.db2.gz	AEZARPODXACYDY-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(COC)C(N)=S)cc1	ZINC000218565923	568881843	/nfs/dbraw/zinc/88/18/43/568881843.db2.gz	FARKNSCSKHTFEJ-DYXWJJEUSA-N	0	0	403.569	3.416	40	70		HGIBRN
Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216855744	568468288	/nfs/dbraw/zinc/46/82/88/568468288.db2.gz	PFIWWULKGSANHE-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	ZINC000216862047	568468581	/nfs/dbraw/zinc/46/85/81/568468581.db2.gz	HJLPZUSQVOGTNM-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN12)c1ccc(Cl)cc1	ZINC000217591866	568473060	/nfs/dbraw/zinc/47/30/60/568473060.db2.gz	UPVXRZXAZJOAQF-YDZRNGNQSA-N	0	0	412.848	3.314	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3cc(OC)cc(OC)c3)n2)c(OC)c1	ZINC000218177096	568475970	/nfs/dbraw/zinc/47/59/70/568475970.db2.gz	UABZTNQAOFKDGG-UHFFFAOYSA-N	0	0	413.430	3.043	40	70		HGIBRN
CC(C)c1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218266299	568477085	/nfs/dbraw/zinc/47/70/85/568477085.db2.gz	YWXNZHZGEGAFIB-UHFFFAOYSA-N	0	0	406.523	3.464	40	70		HGIBRN
C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1)S(C)(=O)=O	ZINC000218286438	568477528	/nfs/dbraw/zinc/47/75/28/568477528.db2.gz	QTKTWWLQYUUHAU-MAUKXSAKSA-N	0	0	402.516	3.260	40	70		HGIBRN
C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1)S(C)(=O)=O	ZINC000218286496	568477564	/nfs/dbraw/zinc/47/75/64/568477564.db2.gz	QTKTWWLQYUUHAU-CRAIPNDOSA-N	0	0	402.516	3.260	40	70		HGIBRN
CC(C)Oc1cccc(CCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1	ZINC000218285736	568477575	/nfs/dbraw/zinc/47/75/75/568477575.db2.gz	GGMHYJDULDKSDY-SFHVURJKSA-N	0	0	418.559	3.377	40	70		HGIBRN
CCc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)cc1	ZINC000218307418	568478197	/nfs/dbraw/zinc/47/81/97/568478197.db2.gz	OUOUQAFXFCFJSK-UHFFFAOYSA-N	0	0	420.600	3.373	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1	ZINC000218383428	568479654	/nfs/dbraw/zinc/47/96/54/568479654.db2.gz	ITQRSHHIRGZDOX-OAHLLOKOSA-N	0	0	424.950	3.252	40	70		HGIBRN
COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O	ZINC000218483928	568480978	/nfs/dbraw/zinc/48/09/78/568480978.db2.gz	POFLQXKCXXNKNV-LBPRGKRZSA-N	0	0	424.906	3.344	40	70		HGIBRN
COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)CC(C)(C)O2	ZINC000218588475	568482120	/nfs/dbraw/zinc/48/21/20/568482120.db2.gz	DLXRHRZHHISHNZ-GOSISDBHSA-N	0	0	418.515	3.407	40	70		HGIBRN
CCOc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1OCC	ZINC000218594357	568482265	/nfs/dbraw/zinc/48/22/65/568482265.db2.gz	VPHWSPHOPHKOHD-UHFFFAOYSA-N	0	0	406.504	3.094	40	70		HGIBRN
CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1ccc(F)cc1	ZINC000218744139	568483206	/nfs/dbraw/zinc/48/32/06/568483206.db2.gz	HAXLZGMNFVAYCX-UHFFFAOYSA-N	0	0	410.486	3.260	40	70		HGIBRN
Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(=O)(=O)N(C)C)c1	ZINC000218766902	568483390	/nfs/dbraw/zinc/48/33/90/568483390.db2.gz	VKBIDPINMCBXFN-LJQANCHMSA-N	0	0	417.575	3.410	40	70		HGIBRN
CCOC[C@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218582705	568882673	/nfs/dbraw/zinc/88/26/73/568882673.db2.gz	NAFXETIKJBKVBK-DYXWJJEUSA-N	0	0	403.569	3.498	40	70		HGIBRN
COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3)n2)c(OC)c1	ZINC000217833378	568474061	/nfs/dbraw/zinc/47/40/61/568474061.db2.gz	WJHCRUGPAUJMBQ-UHFFFAOYSA-N	0	0	403.822	3.102	40	70		HGIBRN
C[C@@H](SCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000218064609	568474912	/nfs/dbraw/zinc/47/49/12/568474912.db2.gz	SBHIUVIBBKLIGJ-OAHLLOKOSA-N	0	0	404.557	3.148	40	70		HGIBRN
Cc1ccc(S[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000218134660	568475529	/nfs/dbraw/zinc/47/55/29/568475529.db2.gz	IYPYXLMOMPEUTE-QGZVFWFLSA-N	0	0	404.557	3.009	40	70		HGIBRN
COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1	ZINC000218185903	568476134	/nfs/dbraw/zinc/47/61/34/568476134.db2.gz	OYFGCFFJPAJJJL-COSNYCCFSA-N	0	0	401.459	3.318	40	70		HGIBRN
Cc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1Cl	ZINC000218271472	568477214	/nfs/dbraw/zinc/47/72/14/568477214.db2.gz	PHSHGZSLFSERBS-UHFFFAOYSA-N	0	0	423.966	3.057	40	70		HGIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2	ZINC000218336026	568478600	/nfs/dbraw/zinc/47/86/00/568478600.db2.gz	NEGGQMUNMDMOAU-SFHVURJKSA-N	0	0	402.516	3.423	40	70		HGIBRN
Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1	ZINC000218358627	568479188	/nfs/dbraw/zinc/47/91/88/568479188.db2.gz	PRXZYWFDFOCIKJ-ROUUACIJSA-N	0	0	404.532	3.042	40	70		HGIBRN
Cc1ccc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1C	ZINC000218373149	568479363	/nfs/dbraw/zinc/47/93/63/568479363.db2.gz	WGCXYSZEPMJLID-IBGZPJMESA-N	0	0	417.575	3.101	40	70		HGIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218385300	568479617	/nfs/dbraw/zinc/47/96/17/568479617.db2.gz	JTGIHDBCZUDSQZ-CVEARBPZSA-N	0	0	424.950	3.387	40	70		HGIBRN
CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1	ZINC000218439301	568480348	/nfs/dbraw/zinc/48/03/48/568480348.db2.gz	GYQYOMCSLKUUQX-UHFFFAOYSA-N	0	0	420.531	3.198	40	70		HGIBRN
COc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1	ZINC000218510779	568481251	/nfs/dbraw/zinc/48/12/51/568481251.db2.gz	YYQMRXIYZISZQH-UHFFFAOYSA-N	0	0	416.543	3.151	40	70		HGIBRN
Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000218519685	568481365	/nfs/dbraw/zinc/48/13/65/568481365.db2.gz	DKTLVZMROBQDAE-UHFFFAOYSA-N	0	0	418.515	3.055	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218548884	568481595	/nfs/dbraw/zinc/48/15/95/568481595.db2.gz	OZANNUMBVSPSSA-RTBURBONSA-N	0	0	418.559	3.350	40	70		HGIBRN
Cc1ccc(C)c(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1	ZINC000218552417	568481755	/nfs/dbraw/zinc/48/17/55/568481755.db2.gz	NDNVFYDFTFXJME-LJQANCHMSA-N	0	0	417.575	3.101	40	70		HGIBRN
CCOC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218619803	568884466	/nfs/dbraw/zinc/88/44/66/568884466.db2.gz	MVOZOWQYZYTBQW-BJLQDIEVSA-N	0	0	407.532	3.383	40	70		HGIBRN
Cc1ccc(S[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1	ZINC000218134854	568475506	/nfs/dbraw/zinc/47/55/06/568475506.db2.gz	MQLGPGZLVNQIJU-OAHLLOKOSA-N	0	0	404.557	3.315	40	70		HGIBRN
Cc1ccc(S[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1	ZINC000218134772	568475541	/nfs/dbraw/zinc/47/55/41/568475541.db2.gz	MQLGPGZLVNQIJU-HNNXBMFYSA-N	0	0	404.557	3.315	40	70		HGIBRN
COc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(C)cc3)no2)c(OC)c1OC	ZINC000218189822	568476165	/nfs/dbraw/zinc/47/61/65/568476165.db2.gz	ASNVHOLLUCPKIW-ZRDIBKRKSA-N	0	0	409.442	3.400	40	70		HGIBRN
COc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1Cl	ZINC000218271530	568477213	/nfs/dbraw/zinc/47/72/13/568477213.db2.gz	SHRWGZIHNVKMLJ-UHFFFAOYSA-N	0	0	402.944	3.344	40	70		HGIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	ZINC000218289761	568477656	/nfs/dbraw/zinc/47/76/56/568477656.db2.gz	CKGIUHVHIFSDBA-CRAIPNDOSA-N	0	0	420.531	3.126	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000218366245	568479262	/nfs/dbraw/zinc/47/92/62/568479262.db2.gz	UTPMUFOPJJHHPY-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1	ZINC000218375180	568479344	/nfs/dbraw/zinc/47/93/44/568479344.db2.gz	NFEHKPXGHYSSRB-KRWDZBQOSA-N	0	0	406.523	3.346	40	70		HGIBRN
COc1ccc2c(c1)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)CC(C)(C)O2	ZINC000218402905	568479828	/nfs/dbraw/zinc/47/98/28/568479828.db2.gz	CPGQOPCDENCMGU-QGZVFWFLSA-N	0	0	404.488	3.099	40	70		HGIBRN
Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1	ZINC000218449453	568480586	/nfs/dbraw/zinc/48/05/86/568480586.db2.gz	HILASNDCRMRVSV-MRXNPFEDSA-N	0	0	424.563	3.338	40	70		HGIBRN
COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O	ZINC000218480428	568480886	/nfs/dbraw/zinc/48/08/86/568480886.db2.gz	NCZVVDFKBLVKFD-KGLIPLIRSA-N	0	0	410.923	3.381	40	70		HGIBRN
Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1	ZINC000218512505	568481272	/nfs/dbraw/zinc/48/12/72/568481272.db2.gz	LTHIVMFXHPRXEU-SFHVURJKSA-N	0	0	416.543	3.285	40	70		HGIBRN
COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)CC(C)(C)O2	ZINC000218597801	568482244	/nfs/dbraw/zinc/48/22/44/568482244.db2.gz	HNRJMSXTOIEWDR-SFHVURJKSA-N	0	0	418.515	3.407	40	70		HGIBRN
COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1	ZINC000218681069	568482914	/nfs/dbraw/zinc/48/29/14/568482914.db2.gz	SGTZDRACELCGGV-LBPRGKRZSA-N	0	0	417.849	3.491	40	70		HGIBRN
CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1	ZINC000218779300	568483545	/nfs/dbraw/zinc/48/35/45/568483545.db2.gz	VELWZXKNIGWPQR-UHFFFAOYSA-N	0	0	404.488	3.210	40	70		HGIBRN
O=C(c1ccc(-c2cccs2)cc1)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217621344	569050805	/nfs/dbraw/zinc/05/08/05/569050805.db2.gz	WZLRCQNTZUFASK-UHFFFAOYSA-N	0	0	406.511	3.240	40	70		HGIBRN
CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2cccc(Br)c2)nn1	ZINC000216758391	568466715	/nfs/dbraw/zinc/46/67/15/568466715.db2.gz	BTMLXUHGAMXONP-SFHVURJKSA-N	0	0	412.291	3.310	40	70		HGIBRN
Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1	ZINC000216856479	568468338	/nfs/dbraw/zinc/46/83/38/568468338.db2.gz	RUFHEKVFLNAGMC-UHFFFAOYSA-N	0	0	415.559	3.109	40	70		HGIBRN
CC(C)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216881723	568468943	/nfs/dbraw/zinc/46/89/43/568468943.db2.gz	IDWXCLURTDLSGP-UHFFFAOYSA-N	0	0	415.559	3.140	40	70		HGIBRN
C[C@H](SCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000218064680	568474852	/nfs/dbraw/zinc/47/48/52/568474852.db2.gz	SBHIUVIBBKLIGJ-HNNXBMFYSA-N	0	0	404.557	3.148	40	70		HGIBRN
COc1ccc(/C=C/C(=O)NCc2nc(-c3cccs3)no2)c(OC)c1OC	ZINC000218190307	568476141	/nfs/dbraw/zinc/47/61/41/568476141.db2.gz	POBMTCXBEDSKKY-VQHVLOKHSA-N	0	0	401.444	3.154	40	70		HGIBRN
COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCCC1)S(C)(=O)=O	ZINC000218266536	568477083	/nfs/dbraw/zinc/47/70/83/568477083.db2.gz	HKOVDYALZYQQLS-UHFFFAOYSA-N	0	0	402.944	3.344	40	70		HGIBRN
Cc1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1C	ZINC000218280149	568477313	/nfs/dbraw/zinc/47/73/13/568477313.db2.gz	QGHYTIIJLYSBFO-UHFFFAOYSA-N	0	0	411.321	3.471	40	70		HGIBRN
CC[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	ZINC000218289929	568477782	/nfs/dbraw/zinc/47/77/82/568477782.db2.gz	CKGIUHVHIFSDBA-YJBOKZPZSA-N	0	0	420.531	3.126	40	70		HGIBRN
COc1ccc(CNC(=O)CN2c3cccc4cccc(c34)C2=O)c(OC)c1OC	ZINC000218315509	568478194	/nfs/dbraw/zinc/47/81/94/568478194.db2.gz	WOAVGGFOXHFXSY-UHFFFAOYSA-N	0	0	406.438	3.142	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218369143	568479314	/nfs/dbraw/zinc/47/93/14/568479314.db2.gz	SACHFVGYEIOLNO-OALUTQOASA-N	0	0	418.559	3.350	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218549041	568481637	/nfs/dbraw/zinc/48/16/37/568481637.db2.gz	OZANNUMBVSPSSA-MOPGFXCFSA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1C	ZINC000218580339	568482021	/nfs/dbraw/zinc/48/20/21/568482021.db2.gz	QAZRSPBGJHJJCM-SFHVURJKSA-N	0	0	418.515	3.407	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1	ZINC000218598061	568482264	/nfs/dbraw/zinc/48/22/64/568482264.db2.gz	GOVMOHIUQGJXED-GOSISDBHSA-N	0	0	418.515	3.407	40	70		HGIBRN
COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)ccc1OC(C)C	ZINC000218594454	568482282	/nfs/dbraw/zinc/48/22/82/568482282.db2.gz	KYYOCLZIGKYLQQ-UHFFFAOYSA-N	0	0	406.504	3.092	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(F)cc3)n2)c(OC)c1	ZINC000218706904	568482973	/nfs/dbraw/zinc/48/29/73/568482973.db2.gz	QCHBBDQZYCZVRG-CYBMUJFWSA-N	0	0	415.421	3.319	40	70		HGIBRN
COc1ccccc1CCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218744212	568483198	/nfs/dbraw/zinc/48/31/98/568483198.db2.gz	DXYOFHNJZWKLAZ-UHFFFAOYSA-N	0	0	422.522	3.130	40	70		HGIBRN
Cc1ccc(C)c(N(CCCC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1	ZINC000218747257	568483289	/nfs/dbraw/zinc/48/32/89/568483289.db2.gz	RQTXDGYRLQTXFW-UHFFFAOYSA-N	0	0	417.575	3.102	40	70		HGIBRN
CCOC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218619654	568884437	/nfs/dbraw/zinc/88/44/37/568884437.db2.gz	MVOZOWQYZYTBQW-HBFSDRIKSA-N	0	0	407.532	3.383	40	70		HGIBRN
CCOC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218114514	568925904	/nfs/dbraw/zinc/92/59/04/568925904.db2.gz	PUHGFQZAXNQWEL-SVFBPWRDSA-N	0	0	419.568	3.252	40	70		HGIBRN
CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	ZINC000216875025	568468991	/nfs/dbraw/zinc/46/89/91/568468991.db2.gz	WJHCQNNORKRRHN-UHFFFAOYSA-N	0	0	421.950	3.091	40	70		HGIBRN
Cc1cc(C(=O)NCCCOC(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2	ZINC000216891898	568469098	/nfs/dbraw/zinc/46/90/98/568469098.db2.gz	HEHYQQXDBGCIMV-UHFFFAOYSA-N	0	0	402.516	3.345	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3)n2)c(OC)c1	ZINC000217833608	568474078	/nfs/dbraw/zinc/47/40/78/568474078.db2.gz	OVNQWSYVXLYDGX-UHFFFAOYSA-N	0	0	417.849	3.445	40	70		HGIBRN
CC(C)c1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1	ZINC000218248357	568476817	/nfs/dbraw/zinc/47/68/17/568476817.db2.gz	IEKSDSUCBGNHMW-UHFFFAOYSA-N	0	0	417.575	3.219	40	70		HGIBRN
CC(C)Oc1cccc(CCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1	ZINC000218341588	568478701	/nfs/dbraw/zinc/47/87/01/568478701.db2.gz	CJWPCRJUXMHORQ-UHFFFAOYSA-N	0	0	404.532	3.232	40	70		HGIBRN
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccccc2C(N)=O)cc1	ZINC000218349217	568478941	/nfs/dbraw/zinc/47/89/41/568478941.db2.gz	OAEJTIBZGZZCND-UHFFFAOYSA-N	0	0	423.494	3.171	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1	ZINC000218366422	568479313	/nfs/dbraw/zinc/47/93/13/568479313.db2.gz	CYHCVWRVVCSPOH-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	ZINC000218375724	568479375	/nfs/dbraw/zinc/47/93/75/568479375.db2.gz	WFSHCHMOOZFDGU-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000218403027	568479831	/nfs/dbraw/zinc/47/98/31/568479831.db2.gz	HDMCGPGYRTZMLH-KRWDZBQOSA-N	0	0	404.488	3.099	40	70		HGIBRN
CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)cc1C	ZINC000218420166	568480091	/nfs/dbraw/zinc/48/00/91/568480091.db2.gz	BVFVCWXGSVVGLH-FQEVSTJZSA-N	0	0	403.548	3.184	40	70		HGIBRN
COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C	ZINC000218470663	568480715	/nfs/dbraw/zinc/48/07/15/568480715.db2.gz	MHJMYZWJNFNBBU-ZDUSSCGKSA-N	0	0	424.906	3.228	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1	ZINC000218475172	568480864	/nfs/dbraw/zinc/48/08/64/568480864.db2.gz	KAPVVBHXXURQRP-HNNXBMFYSA-N	0	0	424.950	3.252	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1	ZINC000218475091	568480885	/nfs/dbraw/zinc/48/08/85/568480885.db2.gz	KAPVVBHXXURQRP-OAHLLOKOSA-N	0	0	424.950	3.252	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O	ZINC000218546118	568481663	/nfs/dbraw/zinc/48/16/63/568481663.db2.gz	SGILHHIDPUOORZ-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
CN(CCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1	ZINC000218652512	568482735	/nfs/dbraw/zinc/48/27/35/568482735.db2.gz	QJMAEMHUGSAMFV-UHFFFAOYSA-N	0	0	423.538	3.381	40	70		HGIBRN
CC[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)cc1C	ZINC000218763366	568483445	/nfs/dbraw/zinc/48/34/45/568483445.db2.gz	QGZKOYWDBDLMGV-OAQYLSRUSA-N	0	0	418.559	3.341	40	70		HGIBRN
CC[C@@H](NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1	ZINC000218782746	568483569	/nfs/dbraw/zinc/48/35/69/568483569.db2.gz	FGBPFCZFCLZDFA-GOSISDBHSA-N	0	0	420.531	3.371	40	70		HGIBRN
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1Cl	ZINC000216862100	568468643	/nfs/dbraw/zinc/46/86/43/568468643.db2.gz	MWHNMUXSSZOPTG-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1	ZINC000218185822	568475981	/nfs/dbraw/zinc/47/59/81/568475981.db2.gz	OYFGCFFJPAJJJL-MYWXAZLQSA-N	0	0	401.459	3.318	40	70		HGIBRN
CCCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O	ZINC000218286834	568477534	/nfs/dbraw/zinc/47/75/34/568477534.db2.gz	ROBWHECGXIUHKT-SFHVURJKSA-N	0	0	418.559	3.379	40	70		HGIBRN
C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1)S(C)(=O)=O	ZINC000218286611	568477583	/nfs/dbraw/zinc/47/75/83/568477583.db2.gz	QTKTWWLQYUUHAU-QAPCUYQASA-N	0	0	402.516	3.260	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1	ZINC000218375614	568479351	/nfs/dbraw/zinc/47/93/51/568479351.db2.gz	IIFVCIXKCYMTJK-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
CN(Cc1ccccc1)C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000218436380	568480357	/nfs/dbraw/zinc/48/03/57/568480357.db2.gz	SFGLBMFPWZZJQR-JOCHJYFZSA-N	0	0	422.506	3.302	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1C	ZINC000218580426	568482053	/nfs/dbraw/zinc/48/20/53/568482053.db2.gz	QAZRSPBGJHJJCM-GOSISDBHSA-N	0	0	418.515	3.407	40	70		HGIBRN
CC[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(OC)c(OC)c1	ZINC000218589312	568482165	/nfs/dbraw/zinc/48/21/65/568482165.db2.gz	RDOWSLBBZNKRRH-INIZCTEOSA-N	0	0	406.504	3.265	40	70		HGIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218744966	568483327	/nfs/dbraw/zinc/48/33/27/568483327.db2.gz	IZLRRUKLYBTZRU-QGZVFWFLSA-N	0	0	422.522	3.264	40	70		HGIBRN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(COC)C(N)=S)cc1	ZINC000218566084	568881931	/nfs/dbraw/zinc/88/19/31/568881931.db2.gz	FARKNSCSKHTFEJ-SBHAEUEKSA-N	0	0	403.569	3.416	40	70		HGIBRN
CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218616218	568884435	/nfs/dbraw/zinc/88/44/35/568884435.db2.gz	BUUMHSSGLPSRSN-CMKODMSKSA-N	0	0	407.532	3.383	40	70		HGIBRN
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2Cl)cc1	ZINC000216940836	568469580	/nfs/dbraw/zinc/46/95/80/568469580.db2.gz	JVJAZOIOZVEMNR-UHFFFAOYSA-N	0	0	421.950	3.273	40	70		HGIBRN
O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1	ZINC000217590618	568473071	/nfs/dbraw/zinc/47/30/71/568473071.db2.gz	TVDYMEYMPBZKCE-YRXWBPOGSA-N	0	0	412.848	3.314	40	70		HGIBRN
CC(=O)c1cn(CCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc12	ZINC000218022019	568474588	/nfs/dbraw/zinc/47/45/88/568474588.db2.gz	ABTMXHGLBPZICU-ZWKOTPCHSA-N	0	0	403.482	3.042	40	70		HGIBRN
O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000218101211	568475091	/nfs/dbraw/zinc/47/50/91/568475091.db2.gz	KISLWAGHRASUGP-RELWKKBWSA-N	0	0	422.506	3.353	40	70		HGIBRN
CC(C)c1ccc(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1	ZINC000218324848	568478438	/nfs/dbraw/zinc/47/84/38/568478438.db2.gz	ULKYYYGWCKKBIS-UHFFFAOYSA-N	0	0	406.523	3.464	40	70		HGIBRN
CCOc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	ZINC000218358122	568479157	/nfs/dbraw/zinc/47/91/57/568479157.db2.gz	OVXAUXJNEUCHLZ-SFHVURJKSA-N	0	0	418.559	3.297	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218474993	568480871	/nfs/dbraw/zinc/48/08/71/568480871.db2.gz	CKQJKAVIMKUETI-HNNXBMFYSA-N	0	0	424.950	3.252	40	70		HGIBRN
Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1	ZINC000218545934	568481652	/nfs/dbraw/zinc/48/16/52/568481652.db2.gz	SZWYSBWTGBVFHW-KRWDZBQOSA-N	0	0	406.523	3.346	40	70		HGIBRN
Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1	ZINC000218554261	568481789	/nfs/dbraw/zinc/48/17/89/568481789.db2.gz	SJVUSYHFELCQRF-INIZCTEOSA-N	0	0	424.950	3.307	40	70		HGIBRN
COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)CC(C)(C)O2	ZINC000218580139	568481998	/nfs/dbraw/zinc/48/19/98/568481998.db2.gz	PEGJICLHMGREMB-SFHVURJKSA-N	0	0	418.515	3.407	40	70		HGIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(NS(C)(=O)=O)c(C)c1	ZINC000218600811	568482378	/nfs/dbraw/zinc/48/23/78/568482378.db2.gz	CGRZRTNGSUYHCS-UHFFFAOYSA-N	0	0	420.516	3.140	40	70		HGIBRN
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1	ZINC000216869145	568468824	/nfs/dbraw/zinc/46/88/24/568468824.db2.gz	QJTRLYSPNOZGQI-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216869180	568468839	/nfs/dbraw/zinc/46/88/39/568468839.db2.gz	UPVIXRLUIDREER-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
COc1ccc(C(=O)Nc2ccc(N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)nc2)cc1	ZINC000217549260	568472745	/nfs/dbraw/zinc/47/27/45/568472745.db2.gz	FDAHOMGKOCPXGM-FUHWJXTLSA-N	0	0	416.481	3.128	40	70		HGIBRN
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1	ZINC000218225609	568476611	/nfs/dbraw/zinc/47/66/11/568476611.db2.gz	XCPZWBNWFSKVLO-UHFFFAOYSA-N	0	0	408.479	3.322	40	70		HGIBRN
CC(C)Oc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1	ZINC000218334351	568478571	/nfs/dbraw/zinc/47/85/71/568478571.db2.gz	IMJDGMNXNUCEFM-UHFFFAOYSA-N	0	0	404.532	3.232	40	70		HGIBRN
CCCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1	ZINC000218335068	568478576	/nfs/dbraw/zinc/47/85/76/568478576.db2.gz	PMNNBGLHRVSFAT-UHFFFAOYSA-N	0	0	404.532	3.234	40	70		HGIBRN
COc1ccc2c(c1)[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2	ZINC000218336469	568478713	/nfs/dbraw/zinc/47/87/13/568478713.db2.gz	CDBCQXUEOKWZIG-GOSISDBHSA-N	0	0	418.515	3.123	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218383305	568479624	/nfs/dbraw/zinc/47/96/24/568479624.db2.gz	VYBXUPZOJJYZSR-HNNXBMFYSA-N	0	0	424.950	3.252	40	70		HGIBRN
CC(C)c1ccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1	ZINC000218421540	568480158	/nfs/dbraw/zinc/48/01/58/568480158.db2.gz	CDMOYDFISYLAEY-UHFFFAOYSA-N	0	0	417.575	3.172	40	70		HGIBRN
CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1	ZINC000218445872	568480462	/nfs/dbraw/zinc/48/04/62/568480462.db2.gz	SYLVIBYMJKOKLY-UHFFFAOYSA-N	0	0	415.559	3.045	40	70		HGIBRN
CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218459888	568480685	/nfs/dbraw/zinc/48/06/85/568480685.db2.gz	KLRMYQLKEDAHOK-MRXNPFEDSA-N	0	0	422.522	3.128	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000218475370	568480862	/nfs/dbraw/zinc/48/08/62/568480862.db2.gz	WQINKMXQRFBNSM-HNNXBMFYSA-N	0	0	424.950	3.252	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218546496	568481596	/nfs/dbraw/zinc/48/15/96/568481596.db2.gz	NQWXLUYGUNPEPA-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218548963	568481646	/nfs/dbraw/zinc/48/16/46/568481646.db2.gz	OZANNUMBVSPSSA-RBUKOAKNSA-N	0	0	418.559	3.350	40	70		HGIBRN
CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(OC)c(OC)c1	ZINC000218581099	568481995	/nfs/dbraw/zinc/48/19/95/568481995.db2.gz	QQSRRIFEQQCKBF-MRXNPFEDSA-N	0	0	406.504	3.265	40	70		HGIBRN
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCc1ccc(F)cc1	ZINC000218621393	568482526	/nfs/dbraw/zinc/48/25/26/568482526.db2.gz	ADVIXARBYWNKPL-UHFFFAOYSA-N	0	0	404.507	3.281	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1	ZINC000218638678	568482615	/nfs/dbraw/zinc/48/26/15/568482615.db2.gz	MFJIGOVXVQZLDS-UHFFFAOYSA-N	0	0	406.504	3.174	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1	ZINC000218641857	568482633	/nfs/dbraw/zinc/48/26/33/568482633.db2.gz	VWLBDCDTFGLIRV-GOSISDBHSA-N	0	0	418.515	3.489	40	70		HGIBRN
CCOc1ccc(CNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1OCC	ZINC000218777149	568483485	/nfs/dbraw/zinc/48/34/85/568483485.db2.gz	PAUWATTUTLFURI-UHFFFAOYSA-N	0	0	420.531	3.200	40	70		HGIBRN
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(COC)C(N)=S)cc1	ZINC000218566167	568882114	/nfs/dbraw/zinc/88/21/14/568882114.db2.gz	FARKNSCSKHTFEJ-ZVDOUQERSA-N	0	0	403.569	3.416	40	70		HGIBRN
CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2cccc(Br)c2)nn1	ZINC000216758441	568466747	/nfs/dbraw/zinc/46/67/47/568466747.db2.gz	BTMLXUHGAMXONP-GOSISDBHSA-N	0	0	412.291	3.310	40	70		HGIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C(C)C)cc1	ZINC000216860845	568468460	/nfs/dbraw/zinc/46/84/60/568468460.db2.gz	KNKNULCNKUFXOV-UHFFFAOYSA-N	0	0	415.559	3.307	40	70		HGIBRN
Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216869249	568468862	/nfs/dbraw/zinc/46/88/62/568468862.db2.gz	KWORRPAADKFXEG-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
O=C(CCc1ccccc1)Nc1ccc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)nc1	ZINC000217549379	568472809	/nfs/dbraw/zinc/47/28/09/568472809.db2.gz	ASCWIVGRPNEZAR-VQTJNVASSA-N	0	0	414.509	3.438	40	70		HGIBRN
COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)c1	ZINC000217926694	568474313	/nfs/dbraw/zinc/47/43/13/568474313.db2.gz	AXPBICYPTPLNQT-PKNBQFBNSA-N	0	0	409.442	3.434	40	70		HGIBRN
Cc1ccc(Cl)cc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000218269737	568477237	/nfs/dbraw/zinc/47/72/37/568477237.db2.gz	MINAUIPJPPHMQR-UHFFFAOYSA-N	0	0	423.966	3.057	40	70		HGIBRN
COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)CC(C)(C)O2	ZINC000218343218	568478817	/nfs/dbraw/zinc/47/88/17/568478817.db2.gz	CZOCVFWRJMXSLW-QGZVFWFLSA-N	0	0	418.515	3.123	40	70		HGIBRN
CN(CCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000218347807	568479005	/nfs/dbraw/zinc/47/90/05/568479005.db2.gz	AMSKMZGABNQCDC-UHFFFAOYSA-N	0	0	423.538	3.378	40	70		HGIBRN
Cc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1C	ZINC000218366044	568479322	/nfs/dbraw/zinc/47/93/22/568479322.db2.gz	BMSMAFZQYTZIPB-QGZVFWFLSA-N	0	0	406.523	3.346	40	70		HGIBRN
Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1	ZINC000218377802	568479397	/nfs/dbraw/zinc/47/93/97/568479397.db2.gz	UQRGVDHHXOPCDU-OALUTQOASA-N	0	0	418.559	3.350	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000218385474	568479623	/nfs/dbraw/zinc/47/96/23/568479623.db2.gz	GVIWJEOBXXBWMC-HZPDHXFCSA-N	0	0	424.950	3.387	40	70		HGIBRN
C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218456926	568480626	/nfs/dbraw/zinc/48/06/26/568480626.db2.gz	BFCCXIUSQZJFMS-CQSZACIVSA-N	0	0	412.914	3.383	40	70		HGIBRN
C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218459800	568480636	/nfs/dbraw/zinc/48/06/36/568480636.db2.gz	LWLJIWHXXTVFHK-KDOFPFPSSA-N	0	0	420.506	3.399	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000218475290	568480908	/nfs/dbraw/zinc/48/09/08/568480908.db2.gz	WQINKMXQRFBNSM-OAHLLOKOSA-N	0	0	424.950	3.252	40	70		HGIBRN
Cc1ccc(C)c(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1	ZINC000218548775	568481662	/nfs/dbraw/zinc/48/16/62/568481662.db2.gz	ZRBZUYXCKUMQSX-RBUKOAKNSA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C	ZINC000218621503	568482499	/nfs/dbraw/zinc/48/24/99/568482499.db2.gz	LXLYVABCCIQLEU-UHFFFAOYSA-N	0	0	416.543	3.151	40	70		HGIBRN
CCN(c1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1)S(C)(=O)=O	ZINC000218777252	568483497	/nfs/dbraw/zinc/48/34/97/568483497.db2.gz	AMIKPRODWQFEQN-UHFFFAOYSA-N	0	0	420.531	3.198	40	70		HGIBRN
CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)c(C)c1	ZINC000218771792	568483548	/nfs/dbraw/zinc/48/35/48/568483548.db2.gz	OWUGUWJZBFTEBI-HXUWFJFHSA-N	0	0	403.548	3.427	40	70		HGIBRN
CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218114440	568925902	/nfs/dbraw/zinc/92/59/02/568925902.db2.gz	PUHGFQZAXNQWEL-DYXWJJEUSA-N	0	0	419.568	3.252	40	70		HGIBRN
O=C1CS[C@H](c2cn(Cc3cccc(Br)c3)nn2)N1Cc1ccco1	ZINC000216685104	568466348	/nfs/dbraw/zinc/46/63/48/568466348.db2.gz	YOEPKLVPQMZSJD-QGZVFWFLSA-N	0	0	419.304	3.456	40	70		HGIBRN
COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(F)c(F)c1)=C2C	ZINC000216853192	568468360	/nfs/dbraw/zinc/46/83/60/568468360.db2.gz	FCDKUOSGXONVNV-UHFFFAOYSA-N	0	0	424.425	3.131	40	70		HGIBRN
CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216869657	568468745	/nfs/dbraw/zinc/46/87/45/568468745.db2.gz	YVGIXZTWZVIYCQ-UHFFFAOYSA-N	0	0	421.950	3.091	40	70		HGIBRN
COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218274498	568477180	/nfs/dbraw/zinc/47/71/80/568477180.db2.gz	BEGIJHOYLVAVPA-IRXDYDNUSA-N	0	0	404.532	3.344	40	70		HGIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1N(C)S(C)(=O)=O	ZINC000218342957	568478835	/nfs/dbraw/zinc/47/88/35/568478835.db2.gz	OWRZURLPZFMAIF-KRWDZBQOSA-N	0	0	402.516	3.423	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	ZINC000218358888	568479143	/nfs/dbraw/zinc/47/91/43/568479143.db2.gz	FRUYPPMQXMQHDU-ZWKOTPCHSA-N	0	0	404.532	3.042	40	70		HGIBRN
Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1C	ZINC000218365965	568479300	/nfs/dbraw/zinc/47/93/00/568479300.db2.gz	BMSMAFZQYTZIPB-KRWDZBQOSA-N	0	0	406.523	3.346	40	70		HGIBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218385208	568479604	/nfs/dbraw/zinc/47/96/04/568479604.db2.gz	JTGIHDBCZUDSQZ-JKSUJKDBSA-N	0	0	424.950	3.387	40	70		HGIBRN
Cc1ccc(SCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218446390	568480460	/nfs/dbraw/zinc/48/04/60/568480460.db2.gz	NFYZTJPVDGKRBM-OAHLLOKOSA-N	0	0	410.536	3.197	40	70		HGIBRN
C[C@H](C(=O)NCCSCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218446835	568480470	/nfs/dbraw/zinc/48/04/70/568480470.db2.gz	JEXKJRJVRVMVMN-OAHLLOKOSA-N	0	0	410.536	3.030	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1	ZINC000218568269	568481895	/nfs/dbraw/zinc/48/18/95/568481895.db2.gz	GVDKJWNDMYVAHX-QGZVFWFLSA-N	0	0	404.488	3.099	40	70		HGIBRN
CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(OC)c(OC)c1	ZINC000218581162	568481996	/nfs/dbraw/zinc/48/19/96/568481996.db2.gz	QQSRRIFEQQCKBF-INIZCTEOSA-N	0	0	406.504	3.265	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1	ZINC000218588565	568482119	/nfs/dbraw/zinc/48/21/19/568482119.db2.gz	BIDFTZSYNMQZLH-SFHVURJKSA-N	0	0	418.515	3.407	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1	ZINC000218645998	568482724	/nfs/dbraw/zinc/48/27/24/568482724.db2.gz	NOPHFXFAMTVJGF-UHFFFAOYSA-N	0	0	401.532	3.021	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1	ZINC000218644214	568482781	/nfs/dbraw/zinc/48/27/81/568482781.db2.gz	PXFADZUSRSRSES-UHFFFAOYSA-N	0	0	414.487	3.079	40	70		HGIBRN
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(COC)C(N)=S)cc1	ZINC000218565997	568881833	/nfs/dbraw/zinc/88/18/33/568881833.db2.gz	FARKNSCSKHTFEJ-ZJOUEHCJSA-N	0	0	403.569	3.416	40	70		HGIBRN
Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216856584	568468503	/nfs/dbraw/zinc/46/85/03/568468503.db2.gz	ANNHSKKOIZAPFO-UHFFFAOYSA-N	0	0	415.559	3.307	40	70		HGIBRN
COc1cccc(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1	ZINC000218255193	568476944	/nfs/dbraw/zinc/47/69/44/568476944.db2.gz	LDJOBGPPGJRXSB-UHFFFAOYSA-N	0	0	418.559	3.334	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	ZINC000218358950	568479178	/nfs/dbraw/zinc/47/91/78/568479178.db2.gz	FRUYPPMQXMQHDU-MSOLQXFVSA-N	0	0	404.532	3.042	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	ZINC000218378159	568479377	/nfs/dbraw/zinc/47/93/77/568479377.db2.gz	IJIIEMVOLXAPQC-MOPGFXCFSA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218383246	568479595	/nfs/dbraw/zinc/47/95/95/568479595.db2.gz	VYBXUPZOJJYZSR-OAHLLOKOSA-N	0	0	424.950	3.252	40	70		HGIBRN
CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1	ZINC000218443499	568480469	/nfs/dbraw/zinc/48/04/69/568480469.db2.gz	MWHZKRICWKBLLS-GOSISDBHSA-N	0	0	420.531	3.371	40	70		HGIBRN
COc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000218510881	568481187	/nfs/dbraw/zinc/48/11/87/568481187.db2.gz	SQBMLOWVZUGEFC-UHFFFAOYSA-N	0	0	416.543	3.151	40	70		HGIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C	ZINC000218521510	568481441	/nfs/dbraw/zinc/48/14/41/568481441.db2.gz	SRVYCYSPRGPUFH-GOSISDBHSA-N	0	0	416.543	3.124	40	70		HGIBRN
O=C1CS[C@H](c2cn(Cc3ccccc3Br)nn2)N1Cc1ccco1	ZINC000216686231	568466349	/nfs/dbraw/zinc/46/63/49/568466349.db2.gz	AYXQYQBHTUOMJH-QGZVFWFLSA-N	0	0	419.304	3.456	40	70		HGIBRN
Cc1ccccc1CSCC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000218013326	568474635	/nfs/dbraw/zinc/47/46/35/568474635.db2.gz	GDDBSCNJLHLOIU-UHFFFAOYSA-N	0	0	404.557	3.068	40	70		HGIBRN
Cc1ccc(S[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000218134572	568475573	/nfs/dbraw/zinc/47/55/73/568475573.db2.gz	IYPYXLMOMPEUTE-KRWDZBQOSA-N	0	0	404.557	3.009	40	70		HGIBRN
COc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(C)c3)no2)c(OC)c1OC	ZINC000218189705	568476209	/nfs/dbraw/zinc/47/62/09/568476209.db2.gz	FQAKCQKWAMZIFU-PKNBQFBNSA-N	0	0	409.442	3.400	40	70		HGIBRN
COc1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O	ZINC000218310684	568478222	/nfs/dbraw/zinc/47/82/22/568478222.db2.gz	JTUYZLLPWHBTOK-UHFFFAOYSA-N	0	0	403.287	3.407	40	70		HGIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1N(C)S(C)(=O)=O	ZINC000218343041	568478807	/nfs/dbraw/zinc/47/88/07/568478807.db2.gz	OWRZURLPZFMAIF-QGZVFWFLSA-N	0	0	402.516	3.423	40	70		HGIBRN
Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1	ZINC000218358685	568479159	/nfs/dbraw/zinc/47/91/59/568479159.db2.gz	PRXZYWFDFOCIKJ-ZWKOTPCHSA-N	0	0	404.532	3.042	40	70		HGIBRN
C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218459574	568480642	/nfs/dbraw/zinc/48/06/42/568480642.db2.gz	LWLJIWHXXTVFHK-KBXCAEBGSA-N	0	0	420.506	3.399	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000218512601	568481193	/nfs/dbraw/zinc/48/11/93/568481193.db2.gz	QENTYKPFVYXVAX-GOSISDBHSA-N	0	0	416.543	3.285	40	70		HGIBRN
CCOc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1OCC	ZINC000218577075	568482015	/nfs/dbraw/zinc/48/20/15/568482015.db2.gz	GHPBZGADXCHKJB-UHFFFAOYSA-N	0	0	406.504	3.094	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1	ZINC000218623230	568482501	/nfs/dbraw/zinc/48/25/01/568482501.db2.gz	CWMSOUMOSALXHV-SFHVURJKSA-N	0	0	416.543	3.285	40	70		HGIBRN
CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1	ZINC000218642779	568482673	/nfs/dbraw/zinc/48/26/73/568482673.db2.gz	OOZMVSJQSXCKMN-QGZVFWFLSA-N	0	0	406.504	3.347	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3)n2)c(OC)c1	ZINC000218696936	568482900	/nfs/dbraw/zinc/48/29/00/568482900.db2.gz	SSNMTAAYTXTFKA-UHFFFAOYSA-N	0	0	411.458	3.408	40	70		HGIBRN
CC[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)cc1C	ZINC000218763391	568483425	/nfs/dbraw/zinc/48/34/25/568483425.db2.gz	QGZKOYWDBDLMGV-NRFANRHFSA-N	0	0	418.559	3.341	40	70		HGIBRN
Cc1ccc(CSCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1	ZINC000218020370	568474661	/nfs/dbraw/zinc/47/46/61/568474661.db2.gz	CQLHZHFKAYCQAX-UHFFFAOYSA-N	0	0	404.557	3.068	40	70		HGIBRN
COc1ccc(-c2noc(CNC(=O)c3ccccc3Br)n2)c(OC)c1	ZINC000218223079	568476484	/nfs/dbraw/zinc/47/64/84/568476484.db2.gz	YEEIBTJHHFDCEA-UHFFFAOYSA-N	0	0	418.247	3.446	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	ZINC000218358803	568479176	/nfs/dbraw/zinc/47/91/76/568479176.db2.gz	FRUYPPMQXMQHDU-QZTJIDSGSA-N	0	0	404.532	3.042	40	70		HGIBRN
Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1	ZINC000218510564	568481255	/nfs/dbraw/zinc/48/12/55/568481255.db2.gz	GYMRMUVHBWDMEF-UHFFFAOYSA-N	0	0	404.507	3.281	40	70		HGIBRN
Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1	ZINC000218548682	568481608	/nfs/dbraw/zinc/48/16/08/568481608.db2.gz	ZRBZUYXCKUMQSX-OALUTQOASA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1	ZINC000218621622	568482481	/nfs/dbraw/zinc/48/24/81/568482481.db2.gz	GZIHPXKRNQEYJG-UHFFFAOYSA-N	0	0	416.543	3.151	40	70		HGIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(NS(=O)(=O)CC)cc1	ZINC000218645668	568482785	/nfs/dbraw/zinc/48/27/85/568482785.db2.gz	VWDUEZNUMCALGR-UHFFFAOYSA-N	0	0	420.516	3.222	40	70		HGIBRN
COc1ccc(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218744347	568483172	/nfs/dbraw/zinc/48/31/72/568483172.db2.gz	ZMZDLMDKEKPXMF-UHFFFAOYSA-N	0	0	422.522	3.130	40	70		HGIBRN
COc1cccc(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1	ZINC000218744276	568483204	/nfs/dbraw/zinc/48/32/04/568483204.db2.gz	CKLRXXIIVPRAGG-UHFFFAOYSA-N	0	0	422.522	3.130	40	70		HGIBRN
CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)c1ccc2c(c1)OCO2	ZINC000218764107	568483424	/nfs/dbraw/zinc/48/34/24/568483424.db2.gz	TZOIYBLGXASQHI-INIZCTEOSA-N	0	0	418.515	3.066	40	70		HGIBRN
Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1C	ZINC000216869627	568468816	/nfs/dbraw/zinc/46/88/16/568468816.db2.gz	HNFSPKYPYWGNDF-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
COCCn1cc(CCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21	ZINC000218007980	568474606	/nfs/dbraw/zinc/47/46/06/568474606.db2.gz	VGTZQJUDTWJXAB-AZUAARDMSA-N	0	0	419.525	3.028	40	70		HGIBRN
COc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1	ZINC000218274642	568477207	/nfs/dbraw/zinc/47/72/07/568477207.db2.gz	DJOSCKQRUFVACS-HNNXBMFYSA-N	0	0	424.950	3.252	40	70		HGIBRN
C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1)S(C)(=O)=O	ZINC000218286549	568477530	/nfs/dbraw/zinc/47/75/30/568477530.db2.gz	QTKTWWLQYUUHAU-YJBOKZPZSA-N	0	0	402.516	3.260	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	ZINC000218378006	568479441	/nfs/dbraw/zinc/47/94/41/568479441.db2.gz	IJIIEMVOLXAPQC-RTBURBONSA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000218383603	568479627	/nfs/dbraw/zinc/47/96/27/568479627.db2.gz	NSVVLTJQNDQTJE-OAHLLOKOSA-N	0	0	424.950	3.252	40	70		HGIBRN
COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218448177	568480571	/nfs/dbraw/zinc/48/05/71/568480571.db2.gz	LKKQLKGBVIGMBG-NSHDSACASA-N	0	0	400.859	3.281	40	70		HGIBRN
C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218474808	568480780	/nfs/dbraw/zinc/48/07/80/568480780.db2.gz	QNCCSLKZHBPFHR-CQSZACIVSA-N	0	0	412.914	3.383	40	70		HGIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218476904	568480882	/nfs/dbraw/zinc/48/08/82/568480882.db2.gz	CJHZRMSWIQMLEZ-HZPDHXFCSA-N	0	0	424.950	3.387	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000218477325	568480883	/nfs/dbraw/zinc/48/08/83/568480883.db2.gz	PJMKVGHHIHGZMV-JKSUJKDBSA-N	0	0	424.950	3.387	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000218477244	568480903	/nfs/dbraw/zinc/48/09/03/568480903.db2.gz	PJMKVGHHIHGZMV-HZPDHXFCSA-N	0	0	424.950	3.387	40	70		HGIBRN
CC(C)(C)SCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000218522467	568481428	/nfs/dbraw/zinc/48/14/28/568481428.db2.gz	RJGVEURHMFQHJH-UHFFFAOYSA-N	0	0	404.985	3.386	40	70		HGIBRN
Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1	ZINC000218552348	568481736	/nfs/dbraw/zinc/48/17/36/568481736.db2.gz	NDNVFYDFTFXJME-IBGZPJMESA-N	0	0	417.575	3.101	40	70		HGIBRN
CC(C)(C)c1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1	ZINC000218561914	568481739	/nfs/dbraw/zinc/48/17/39/568481739.db2.gz	CHWGHTDQRTXTPF-UHFFFAOYSA-N	0	0	424.588	3.393	40	70		HGIBRN
CC(C)(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	ZINC000218562014	568481763	/nfs/dbraw/zinc/48/17/63/568481763.db2.gz	JKPBEHDUAYTFFO-UHFFFAOYSA-N	0	0	418.515	3.160	40	70		HGIBRN
CCOC[C@@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218619869	568884383	/nfs/dbraw/zinc/88/43/83/568884383.db2.gz	MVOZOWQYZYTBQW-CMKODMSKSA-N	0	0	407.532	3.383	40	70		HGIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccccc1C(C)C	ZINC000216862658	568468596	/nfs/dbraw/zinc/46/85/96/568468596.db2.gz	ZWAVKJBUARMHLK-UHFFFAOYSA-N	0	0	415.559	3.307	40	70		HGIBRN
CC(C)c1cc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n(-c2ccccc2)n1	ZINC000217692815	568473604	/nfs/dbraw/zinc/47/36/04/568473604.db2.gz	TVFYJNOFAIAULH-ZWKOTPCHSA-N	0	0	402.498	3.417	40	70		HGIBRN
Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1C	ZINC000218368875	568479260	/nfs/dbraw/zinc/47/92/60/568479260.db2.gz	IPVSYKFIZPGHGI-RBUKOAKNSA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)CC(C)(C)O2	ZINC000218402837	568479812	/nfs/dbraw/zinc/47/98/12/568479812.db2.gz	CPGQOPCDENCMGU-KRWDZBQOSA-N	0	0	404.488	3.099	40	70		HGIBRN
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000218405568	568479843	/nfs/dbraw/zinc/47/98/43/568479843.db2.gz	YXZQFXJVMDMBSK-UHFFFAOYSA-N	0	0	420.878	3.034	40	70		HGIBRN
C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218457000	568480704	/nfs/dbraw/zinc/48/07/04/568480704.db2.gz	LQQSQKVBXCQVLH-AWEZNQCLSA-N	0	0	412.914	3.383	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000218512667	568481270	/nfs/dbraw/zinc/48/12/70/568481270.db2.gz	QENTYKPFVYXVAX-SFHVURJKSA-N	0	0	416.543	3.285	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1	ZINC000218568189	568481855	/nfs/dbraw/zinc/48/18/55/568481855.db2.gz	GVDKJWNDMYVAHX-KRWDZBQOSA-N	0	0	404.488	3.099	40	70		HGIBRN
COc1cc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ccc1OC(C)C	ZINC000218586528	568482130	/nfs/dbraw/zinc/48/21/30/568482130.db2.gz	ITHSKRWTHFPQET-UHFFFAOYSA-N	0	0	406.504	3.092	40	70		HGIBRN
CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)cc1C	ZINC000218768425	568483386	/nfs/dbraw/zinc/48/33/86/568483386.db2.gz	QTWWGDZGSFDOPW-FQEVSTJZSA-N	0	0	421.538	3.323	40	70		HGIBRN
CCOC(=O)c1ccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c(C)c1	ZINC000218779402	568483570	/nfs/dbraw/zinc/48/35/70/568483570.db2.gz	DIFRBQWSPNAIJD-UHFFFAOYSA-N	0	0	404.488	3.210	40	70		HGIBRN
Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(C)c1	ZINC000216862583	568468706	/nfs/dbraw/zinc/46/87/06/568468706.db2.gz	RJPYCPDEWYTKGU-UHFFFAOYSA-N	0	0	415.559	3.109	40	70		HGIBRN
Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1	ZINC000216874782	568468843	/nfs/dbraw/zinc/46/88/43/568468843.db2.gz	HBBGFZIRNPUJJX-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1	ZINC000217657088	568473423	/nfs/dbraw/zinc/47/34/23/568473423.db2.gz	BEYFEKWVVRAIPI-YRXWBPOGSA-N	0	0	412.848	3.314	40	70		HGIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCOCC2)cc1	ZINC000218077645	568475007	/nfs/dbraw/zinc/47/50/07/568475007.db2.gz	LXELTKDUHCVZPX-UHFFFAOYSA-N	0	0	412.515	3.293	40	70		HGIBRN
COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218274559	568477223	/nfs/dbraw/zinc/47/72/23/568477223.db2.gz	BEGIJHOYLVAVPA-DLBZAZTESA-N	0	0	404.532	3.344	40	70		HGIBRN
CC(C)Oc1ccc(CCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	ZINC000218285879	568477524	/nfs/dbraw/zinc/47/75/24/568477524.db2.gz	RKYLUSWBGKHPRW-SFHVURJKSA-N	0	0	418.559	3.377	40	70		HGIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	ZINC000218289850	568477748	/nfs/dbraw/zinc/47/77/48/568477748.db2.gz	CKGIUHVHIFSDBA-MAUKXSAKSA-N	0	0	420.531	3.126	40	70		HGIBRN
COc1ccccc1N(CC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O	ZINC000218312463	568478246	/nfs/dbraw/zinc/47/82/46/568478246.db2.gz	RYMNXAHPROOLEX-UHFFFAOYSA-N	0	0	418.559	3.334	40	70		HGIBRN
CC(C)Oc1cccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1	ZINC000218334250	568478580	/nfs/dbraw/zinc/47/85/80/568478580.db2.gz	MPUWOHIBVGUKCB-UHFFFAOYSA-N	0	0	404.532	3.232	40	70		HGIBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2	ZINC000218336100	568478606	/nfs/dbraw/zinc/47/86/06/568478606.db2.gz	NEGGQMUNMDMOAU-GOSISDBHSA-N	0	0	402.516	3.423	40	70		HGIBRN
Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1	ZINC000218354228	568479079	/nfs/dbraw/zinc/47/90/79/568479079.db2.gz	PNYOFJVBUIIBGY-KRWDZBQOSA-N	0	0	404.532	3.253	40	70		HGIBRN
CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	ZINC000218358037	568479224	/nfs/dbraw/zinc/47/92/24/568479224.db2.gz	OVXAUXJNEUCHLZ-GOSISDBHSA-N	0	0	418.559	3.297	40	70		HGIBRN
Cc1ccc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1C	ZINC000218373221	568479403	/nfs/dbraw/zinc/47/94/03/568479403.db2.gz	WGCXYSZEPMJLID-LJQANCHMSA-N	0	0	417.575	3.101	40	70		HGIBRN
Cc1cc(C)cc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1	ZINC000218375257	568479426	/nfs/dbraw/zinc/47/94/26/568479426.db2.gz	NFEHKPXGHYSSRB-QGZVFWFLSA-N	0	0	406.523	3.346	40	70		HGIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218385144	568479602	/nfs/dbraw/zinc/47/96/02/568479602.db2.gz	JTGIHDBCZUDSQZ-HZPDHXFCSA-N	0	0	424.950	3.387	40	70		HGIBRN
Cc1cccc(CSCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1	ZINC000218449532	568480556	/nfs/dbraw/zinc/48/05/56/568480556.db2.gz	HILASNDCRMRVSV-INIZCTEOSA-N	0	0	424.563	3.338	40	70		HGIBRN
C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218457076	568480662	/nfs/dbraw/zinc/48/06/62/568480662.db2.gz	LQQSQKVBXCQVLH-CQSZACIVSA-N	0	0	412.914	3.383	40	70		HGIBRN
COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C	ZINC000218470589	568480713	/nfs/dbraw/zinc/48/07/13/568480713.db2.gz	MHJMYZWJNFNBBU-CYBMUJFWSA-N	0	0	424.906	3.228	40	70		HGIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C	ZINC000218623012	568482532	/nfs/dbraw/zinc/48/25/32/568482532.db2.gz	IPSDAFXYVLUNJK-GOSISDBHSA-N	0	0	416.543	3.285	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(F)cc3)n2)c(OC)c1	ZINC000218706982	568482975	/nfs/dbraw/zinc/48/29/75/568482975.db2.gz	QCHBBDQZYCZVRG-ZDUSSCGKSA-N	0	0	415.421	3.319	40	70		HGIBRN
CCS(=O)(=O)N(CC(=O)N[C@H](C)c1cc(C)ccc1C)c1ccc2c(c1)OCO2	ZINC000218764132	568483408	/nfs/dbraw/zinc/48/34/08/568483408.db2.gz	TZOIYBLGXASQHI-MRXNPFEDSA-N	0	0	418.515	3.066	40	70		HGIBRN
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1Cl	ZINC000216855779	568468234	/nfs/dbraw/zinc/46/82/34/568468234.db2.gz	LGLXLJSDEMEFHJ-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Cl	ZINC000216940754	568469471	/nfs/dbraw/zinc/46/94/71/568469471.db2.gz	ZXYIVJKOWORFFX-UHFFFAOYSA-N	0	0	421.950	3.273	40	70		HGIBRN
COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)cc1	ZINC000217518770	568472660	/nfs/dbraw/zinc/47/26/60/568472660.db2.gz	OLAUHODKTOCQBC-HVZDBSBKSA-N	0	0	412.530	3.313	40	70		HGIBRN
CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000217926142	568474290	/nfs/dbraw/zinc/47/42/90/568474290.db2.gz	JIDCQSUCWITNSX-JQTSXJCQSA-N	0	0	403.500	3.388	40	70		HGIBRN
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CN2CCOCC2)cc1	ZINC000218076885	568475042	/nfs/dbraw/zinc/47/50/42/568475042.db2.gz	OXMHBKWAKPXVEI-UHFFFAOYSA-N	0	0	412.877	3.152	40	70		HGIBRN
COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccs3)no2)c(OC)c1OC	ZINC000218191201	568476185	/nfs/dbraw/zinc/47/61/85/568476185.db2.gz	MYYXFPDFIYJLQL-CSKARUKUSA-N	0	0	415.471	3.496	40	70		HGIBRN
CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	ZINC000218285809	568477532	/nfs/dbraw/zinc/47/75/32/568477532.db2.gz	RKYLUSWBGKHPRW-GOSISDBHSA-N	0	0	418.559	3.377	40	70		HGIBRN
CC[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(S(C)(=O)=O)cc1	ZINC000218320002	568478354	/nfs/dbraw/zinc/47/83/54/568478354.db2.gz	QNBSZNRGEDURNL-IBGZPJMESA-N	0	0	422.506	3.471	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O	ZINC000218375443	568479345	/nfs/dbraw/zinc/47/93/45/568479345.db2.gz	RAHQNBCONCILMU-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
CCOc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1OCC	ZINC000218439205	568480338	/nfs/dbraw/zinc/48/03/38/568480338.db2.gz	DLHOXENHBAQIDN-UHFFFAOYSA-N	0	0	420.531	3.200	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1	ZINC000218597978	568482246	/nfs/dbraw/zinc/48/22/46/568482246.db2.gz	GOVMOHIUQGJXED-SFHVURJKSA-N	0	0	418.515	3.407	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1	ZINC000218642046	568482638	/nfs/dbraw/zinc/48/26/38/568482638.db2.gz	PEBYEHFCLIEQJY-GOSISDBHSA-N	0	0	418.515	3.489	40	70		HGIBRN
Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218745016	568483295	/nfs/dbraw/zinc/48/32/95/568483295.db2.gz	IZLRRUKLYBTZRU-KRWDZBQOSA-N	0	0	422.522	3.264	40	70		HGIBRN
CCOC(=O)c1cccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1C	ZINC000218779201	568483488	/nfs/dbraw/zinc/48/34/88/568483488.db2.gz	UAWCZOWSFFZRNE-UHFFFAOYSA-N	0	0	404.488	3.210	40	70		HGIBRN
CCOC[C@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218582831	568882562	/nfs/dbraw/zinc/88/25/62/568882562.db2.gz	NAFXETIKJBKVBK-ZJOUEHCJSA-N	0	0	403.569	3.498	40	70		HGIBRN
O=C1CS[C@H](c2cn(Cc3ccc(Br)cc3)nn2)N1Cc1ccco1	ZINC000216685324	568466337	/nfs/dbraw/zinc/46/63/37/568466337.db2.gz	LJSREKVXBKWISI-QGZVFWFLSA-N	0	0	419.304	3.456	40	70		HGIBRN
O=C1CS[C@@H](c2cn(Cc3ccccc3Br)nn2)N1Cc1ccco1	ZINC000216686183	568466386	/nfs/dbraw/zinc/46/63/86/568466386.db2.gz	AYXQYQBHTUOMJH-KRWDZBQOSA-N	0	0	419.304	3.456	40	70		HGIBRN
Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216854219	568468321	/nfs/dbraw/zinc/46/83/21/568468321.db2.gz	QWEOUDHRMOVLOC-UHFFFAOYSA-N	0	0	415.559	3.307	40	70		HGIBRN
Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1C	ZINC000216875620	568468987	/nfs/dbraw/zinc/46/89/87/568468987.db2.gz	RMVJHKDOEVXXKE-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
COc1cccc(-c2noc(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1	ZINC000218129995	568475338	/nfs/dbraw/zinc/47/53/38/568475338.db2.gz	QRTFSLTWIOGSRL-UHFFFAOYSA-N	0	0	413.430	3.043	40	70		HGIBRN
COc1ccc(/C=C/C(=O)NCc2cc(OC)c(OC)c(OC)c2)c(OC)c1OC	ZINC000218186580	568476182	/nfs/dbraw/zinc/47/61/82/568476182.db2.gz	QQKNQSGQZMZWPV-CSKARUKUSA-N	0	0	417.458	3.068	40	70		HGIBRN
CC(C)c1ccc(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1	ZINC000218264147	568477114	/nfs/dbraw/zinc/47/71/14/568477114.db2.gz	VRMAHVQPISNRFB-UHFFFAOYSA-N	0	0	406.523	3.464	40	70		HGIBRN
COc1cccc(-c2noc(CNC(=O)CN3c4cccc5cccc(c45)C3=O)n2)c1	ZINC000218320409	568478374	/nfs/dbraw/zinc/47/83/74/568478374.db2.gz	BTOODIGFXCRDQH-UHFFFAOYSA-N	0	0	414.421	3.175	40	70		HGIBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)CC(C)(C)O2	ZINC000218342858	568478809	/nfs/dbraw/zinc/47/88/09/568478809.db2.gz	IBYGZTKRNJFLSC-QGZVFWFLSA-N	0	0	402.516	3.423	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1N(C)S(C)(=O)=O	ZINC000218343327	568478872	/nfs/dbraw/zinc/47/88/72/568478872.db2.gz	OMPYAVLJUNHKBB-KRWDZBQOSA-N	0	0	418.515	3.123	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000218385627	568479585	/nfs/dbraw/zinc/47/95/85/568479585.db2.gz	GVIWJEOBXXBWMC-CVEARBPZSA-N	0	0	424.950	3.387	40	70		HGIBRN
CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc21)c1ccc2c(c1)OCCO2	ZINC000218426747	568480180	/nfs/dbraw/zinc/48/01/80/568480180.db2.gz	DQHCQQSYCXKUTN-UHFFFAOYSA-N	0	0	412.467	3.016	40	70		HGIBRN
C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218459650	568480623	/nfs/dbraw/zinc/48/06/23/568480623.db2.gz	LWLJIWHXXTVFHK-RDTXWAMCSA-N	0	0	420.506	3.399	40	70		HGIBRN
COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)CC(C)(C)O2	ZINC000218568007	568481875	/nfs/dbraw/zinc/48/18/75/568481875.db2.gz	XHIJIQIPBAKZPH-KRWDZBQOSA-N	0	0	404.488	3.099	40	70		HGIBRN
COc1ccc2c(c1)[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)CC(C)(C)O2	ZINC000218580213	568482009	/nfs/dbraw/zinc/48/20/09/568482009.db2.gz	PEGJICLHMGREMB-GOSISDBHSA-N	0	0	418.515	3.407	40	70		HGIBRN
CCOc1ccc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OCC	ZINC000218586430	568482122	/nfs/dbraw/zinc/48/21/22/568482122.db2.gz	CFWJUNBWDJELQT-UHFFFAOYSA-N	0	0	406.504	3.094	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1	ZINC000218588638	568482144	/nfs/dbraw/zinc/48/21/44/568482144.db2.gz	BIDFTZSYNMQZLH-GOSISDBHSA-N	0	0	418.515	3.407	40	70		HGIBRN
CCOC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218616058	568482527	/nfs/dbraw/zinc/48/25/27/568482527.db2.gz	BUUMHSSGLPSRSN-WSTZPKSXSA-N	0	0	407.532	3.383	40	70		HGIBRN
Cc1ccc(OCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218747189	568483280	/nfs/dbraw/zinc/48/32/80/568483280.db2.gz	MUFUXHXSKOEUSA-UHFFFAOYSA-N	0	0	418.559	3.353	40	70		HGIBRN
CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)c(C)c1	ZINC000218771871	568483562	/nfs/dbraw/zinc/48/35/62/568483562.db2.gz	OWUGUWJZBFTEBI-FQEVSTJZSA-N	0	0	403.548	3.427	40	70		HGIBRN
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1	ZINC000217490127	569356584	/nfs/dbraw/zinc/35/65/84/569356584.db2.gz	VCTDAFFVAHRKNH-UHFFFAOYSA-N	0	0	403.685	3.020	40	70		HGIBRN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1cccc(Cl)c1	ZINC000218034212	568474727	/nfs/dbraw/zinc/47/47/27/568474727.db2.gz	PYLYIGHWXKGLHA-UHFFFAOYSA-N	0	0	424.975	3.413	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218366616	568479324	/nfs/dbraw/zinc/47/93/24/568479324.db2.gz	DMGONDPHKODXFK-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1	ZINC000218381437	568479513	/nfs/dbraw/zinc/47/95/13/568479513.db2.gz	RPIOKIDBEREPCM-IBGZPJMESA-N	0	0	417.575	3.101	40	70		HGIBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218385376	568479652	/nfs/dbraw/zinc/47/96/52/568479652.db2.gz	JTGIHDBCZUDSQZ-HOTGVXAUSA-N	0	0	424.950	3.387	40	70		HGIBRN
C[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218446763	568480446	/nfs/dbraw/zinc/48/04/46/568480446.db2.gz	JEXKJRJVRVMVMN-HNNXBMFYSA-N	0	0	410.536	3.030	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218474906	568480748	/nfs/dbraw/zinc/48/07/48/568480748.db2.gz	CKQJKAVIMKUETI-OAHLLOKOSA-N	0	0	424.950	3.252	40	70		HGIBRN
COc1ccc2c(c1)[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)CC(C)(C)O2	ZINC000218568088	568481874	/nfs/dbraw/zinc/48/18/74/568481874.db2.gz	XHIJIQIPBAKZPH-QGZVFWFLSA-N	0	0	404.488	3.099	40	70		HGIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(NS(C)(=O)=O)c1C	ZINC000218583007	568481993	/nfs/dbraw/zinc/48/19/93/568481993.db2.gz	BHXRWDRPIBDRAR-UHFFFAOYSA-N	0	0	420.516	3.140	40	70		HGIBRN
COc1cc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)ccc1OC(C)C	ZINC000218577170	568481999	/nfs/dbraw/zinc/48/19/99/568481999.db2.gz	IKGGPDWHTJKMER-UHFFFAOYSA-N	0	0	406.504	3.092	40	70		HGIBRN
CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1OCC	ZINC000218638572	568482631	/nfs/dbraw/zinc/48/26/31/568482631.db2.gz	PQSYXWRMWIZROH-UHFFFAOYSA-N	0	0	406.504	3.176	40	70		HGIBRN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCOc1ccc(Cl)cc1	ZINC000218734659	568483138	/nfs/dbraw/zinc/48/31/38/568483138.db2.gz	FVLHCYYZRHJVSE-UHFFFAOYSA-N	0	0	422.934	3.339	40	70		HGIBRN
CCN(c1ccc(C(=O)NCCSCc2ccccc2F)cc1)S(C)(=O)=O	ZINC000218778458	568483513	/nfs/dbraw/zinc/48/35/13/568483513.db2.gz	VHGLYLVODRYSMQ-UHFFFAOYSA-N	0	0	410.536	3.275	40	70		HGIBRN
CCOc1ccc(CCCNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1	ZINC000218780408	568483557	/nfs/dbraw/zinc/48/35/57/568483557.db2.gz	PXFJNIYWUPFXGK-UHFFFAOYSA-N	0	0	404.532	3.234	40	70		HGIBRN
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C	ZINC000216869281	568468836	/nfs/dbraw/zinc/46/88/36/568468836.db2.gz	WGCPKFBPKUTRLR-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217474531	568472168	/nfs/dbraw/zinc/47/21/68/568472168.db2.gz	USJLSKUJLJCMPX-ZRNYENFQSA-N	0	0	424.884	3.184	40	70		HGIBRN
CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1	ZINC000218285684	568477588	/nfs/dbraw/zinc/47/75/88/568477588.db2.gz	GGMHYJDULDKSDY-GOSISDBHSA-N	0	0	418.559	3.377	40	70		HGIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	ZINC000218289792	568477670	/nfs/dbraw/zinc/47/76/70/568477670.db2.gz	CKGIUHVHIFSDBA-QAPCUYQASA-N	0	0	420.531	3.126	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1N(C)S(C)(=O)=O	ZINC000218343401	568478886	/nfs/dbraw/zinc/47/88/86/568478886.db2.gz	OMPYAVLJUNHKBB-QGZVFWFLSA-N	0	0	418.515	3.123	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218368966	568479275	/nfs/dbraw/zinc/47/92/75/568479275.db2.gz	SACHFVGYEIOLNO-RTBURBONSA-N	0	0	418.559	3.350	40	70		HGIBRN
Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1C	ZINC000218368788	568479298	/nfs/dbraw/zinc/47/92/98/568479298.db2.gz	IPVSYKFIZPGHGI-OALUTQOASA-N	0	0	418.559	3.350	40	70		HGIBRN
Cc1cc(C)cc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1	ZINC000218381500	568479461	/nfs/dbraw/zinc/47/94/61/568479461.db2.gz	RPIOKIDBEREPCM-LJQANCHMSA-N	0	0	417.575	3.101	40	70		HGIBRN
Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC1	ZINC000218514511	568481213	/nfs/dbraw/zinc/48/12/13/568481213.db2.gz	OZZREZSLKYPNLF-UHFFFAOYSA-N	0	0	415.559	3.036	40	70		HGIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1	ZINC000218512429	568481227	/nfs/dbraw/zinc/48/12/27/568481227.db2.gz	LTHIVMFXHPRXEU-GOSISDBHSA-N	0	0	416.543	3.285	40	70		HGIBRN
COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)CC(C)(C)O2	ZINC000218588405	568482154	/nfs/dbraw/zinc/48/21/54/568482154.db2.gz	DLXRHRZHHISHNZ-SFHVURJKSA-N	0	0	418.515	3.407	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1	ZINC000218641941	568482652	/nfs/dbraw/zinc/48/26/52/568482652.db2.gz	VWLBDCDTFGLIRV-SFHVURJKSA-N	0	0	418.515	3.489	40	70		HGIBRN
CC(C)Oc1cccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1	ZINC000218743794	568483216	/nfs/dbraw/zinc/48/32/16/568483216.db2.gz	RXJQTPWNPMVGCL-UHFFFAOYSA-N	0	0	422.522	3.476	40	70		HGIBRN
CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1	ZINC000218768162	568483458	/nfs/dbraw/zinc/48/34/58/568483458.db2.gz	SGZFWXYLWRUMRS-HXUWFJFHSA-N	0	0	421.538	3.323	40	70		HGIBRN
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1C	ZINC000216874964	568469015	/nfs/dbraw/zinc/46/90/15/568469015.db2.gz	QJORZDZZRWRDID-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
COc1ccc(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	ZINC000218256778	568476966	/nfs/dbraw/zinc/47/69/66/568476966.db2.gz	APJXZTGSKAWTJW-UHFFFAOYSA-N	0	0	418.559	3.334	40	70		HGIBRN
COc1ccc(-c2noc(CNC(=O)CN3c4cccc5cccc(c45)C3=O)n2)cc1	ZINC000218320521	568478401	/nfs/dbraw/zinc/47/84/01/568478401.db2.gz	UTMGYULHIWWXJP-UHFFFAOYSA-N	0	0	414.421	3.175	40	70		HGIBRN
CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1	ZINC000218419982	568480075	/nfs/dbraw/zinc/48/00/75/568480075.db2.gz	SQDDTEUZXLNEHK-FQEVSTJZSA-N	0	0	403.548	3.184	40	70		HGIBRN
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1ccccc1	ZINC000218417933	568480144	/nfs/dbraw/zinc/48/01/44/568480144.db2.gz	IAHAVBLGWPYHNJ-UHFFFAOYSA-N	0	0	417.531	3.260	40	70		HGIBRN
COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O	ZINC000218480500	568480817	/nfs/dbraw/zinc/48/08/17/568480817.db2.gz	NCZVVDFKBLVKFD-ZIAGYGMSSA-N	0	0	410.923	3.381	40	70		HGIBRN
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000218554364	568481735	/nfs/dbraw/zinc/48/17/35/568481735.db2.gz	GICPFEVSFALZET-INIZCTEOSA-N	0	0	423.966	3.056	40	70		HGIBRN
CC(C)(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	ZINC000218561375	568481752	/nfs/dbraw/zinc/48/17/52/568481752.db2.gz	BMHPXNWBVNXWHG-UHFFFAOYSA-N	0	0	404.488	3.118	40	70		HGIBRN
COc1ccc2c(c1)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)CC(C)(C)O2	ZINC000218597892	568482280	/nfs/dbraw/zinc/48/22/80/568482280.db2.gz	HNRJMSXTOIEWDR-GOSISDBHSA-N	0	0	418.515	3.407	40	70		HGIBRN
CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(OC)c(OC)c1	ZINC000218598791	568482289	/nfs/dbraw/zinc/48/22/89/568482289.db2.gz	XTGDTFRZDLUFDP-INIZCTEOSA-N	0	0	406.504	3.265	40	70		HGIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C	ZINC000218629363	568482640	/nfs/dbraw/zinc/48/26/40/568482640.db2.gz	PLVGDJXYJGOLCM-SFHVURJKSA-N	0	0	416.543	3.124	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1	ZINC000218642149	568482641	/nfs/dbraw/zinc/48/26/41/568482641.db2.gz	PEBYEHFCLIEQJY-SFHVURJKSA-N	0	0	418.515	3.489	40	70		HGIBRN
CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1	ZINC000218768235	568483422	/nfs/dbraw/zinc/48/34/22/568483422.db2.gz	SGZFWXYLWRUMRS-FQEVSTJZSA-N	0	0	421.538	3.323	40	70		HGIBRN
CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1C	ZINC000218771981	568483550	/nfs/dbraw/zinc/48/35/50/568483550.db2.gz	XRSDKUXWPGWWRI-HXUWFJFHSA-N	0	0	403.548	3.427	40	70		HGIBRN
CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218114664	568925909	/nfs/dbraw/zinc/92/59/09/568925909.db2.gz	PUHGFQZAXNQWEL-IRFCIJBXSA-N	0	0	419.568	3.252	40	70		HGIBRN
CCOC[C@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218114603	568925953	/nfs/dbraw/zinc/92/59/53/568925953.db2.gz	PUHGFQZAXNQWEL-ZJOUEHCJSA-N	0	0	419.568	3.252	40	70		HGIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(Cl)c1C	ZINC000216862075	568468628	/nfs/dbraw/zinc/46/86/28/568468628.db2.gz	WIXWHAJWOOUKEF-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	ZINC000216874840	568469030	/nfs/dbraw/zinc/46/90/30/568469030.db2.gz	ICVIZCXNNFUZBJ-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3OC)n2)c(OC)c1	ZINC000217969680	568474296	/nfs/dbraw/zinc/47/42/96/568474296.db2.gz	NMUYSRLRMNMLKX-FMIVXFBMSA-N	0	0	409.442	3.434	40	70		HGIBRN
COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3)no2)c(OC)c1OC	ZINC000218190398	568476122	/nfs/dbraw/zinc/47/61/22/568476122.db2.gz	VSMORJGMUQOIMA-ACCUITESSA-N	0	0	409.442	3.434	40	70		HGIBRN
COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000218274762	568477184	/nfs/dbraw/zinc/47/71/84/568477184.db2.gz	DMSWYBDHAFLSGT-HNNXBMFYSA-N	0	0	424.950	3.252	40	70		HGIBRN
COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218277439	568477323	/nfs/dbraw/zinc/47/73/23/568477323.db2.gz	AMVKGUTTXKCPGZ-IRXDYDNUSA-N	0	0	404.532	3.344	40	70		HGIBRN
CCOc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218294534	568477879	/nfs/dbraw/zinc/47/78/79/568477879.db2.gz	BFYYDWOHMRHHNV-MRXNPFEDSA-N	0	0	422.522	3.128	40	70		HGIBRN
COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2	ZINC000218336394	568478579	/nfs/dbraw/zinc/47/85/79/568478579.db2.gz	CDBCQXUEOKWZIG-SFHVURJKSA-N	0	0	418.515	3.123	40	70		HGIBRN
CC(C)Oc1ccc(CCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1	ZINC000218341692	568478699	/nfs/dbraw/zinc/47/86/99/568478699.db2.gz	XBGJKKLZEZVYPQ-UHFFFAOYSA-N	0	0	404.532	3.232	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000218366157	568479316	/nfs/dbraw/zinc/47/93/16/568479316.db2.gz	UTPMUFOPJJHHPY-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
C[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218387929	568479621	/nfs/dbraw/zinc/47/96/21/568479621.db2.gz	WAWVSAARNZKFIM-MRXNPFEDSA-N	0	0	423.966	3.137	40	70		HGIBRN
C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218383115	568479635	/nfs/dbraw/zinc/47/96/35/568479635.db2.gz	FCAUNEIHRYYJDQ-CQSZACIVSA-N	0	0	412.914	3.383	40	70		HGIBRN
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000218405679	568479887	/nfs/dbraw/zinc/47/98/87/568479887.db2.gz	RAVSIXMNHFXJHR-UHFFFAOYSA-N	0	0	420.878	3.034	40	70		HGIBRN
NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1	ZINC000218422281	568480104	/nfs/dbraw/zinc/48/01/04/568480104.db2.gz	GLHOTBUQCDERQU-JOCHJYFZSA-N	0	0	421.478	3.405	40	70		HGIBRN
CCCCc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	ZINC000218432472	568480315	/nfs/dbraw/zinc/48/03/15/568480315.db2.gz	SINJTGZBYUJZKM-UHFFFAOYSA-N	0	0	418.515	3.205	40	70		HGIBRN
O=C(NCCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000218436485	568480328	/nfs/dbraw/zinc/48/03/28/568480328.db2.gz	PJDYCFYQHUEIJZ-QFIPXVFZSA-N	0	0	422.506	3.002	40	70		HGIBRN
CN(Cc1ccccc1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000218436299	568480350	/nfs/dbraw/zinc/48/03/50/568480350.db2.gz	SFGLBMFPWZZJQR-QFIPXVFZSA-N	0	0	422.506	3.302	40	70		HGIBRN
CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1	ZINC000218441174	568480475	/nfs/dbraw/zinc/48/04/75/568480475.db2.gz	NOEINAATDVNJAN-UHFFFAOYSA-N	0	0	404.532	3.234	40	70		HGIBRN
C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218459730	568480682	/nfs/dbraw/zinc/48/06/82/568480682.db2.gz	LWLJIWHXXTVFHK-KSSFIOAISA-N	0	0	420.506	3.399	40	70		HGIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218477065	568480836	/nfs/dbraw/zinc/48/08/36/568480836.db2.gz	CJHZRMSWIQMLEZ-CVEARBPZSA-N	0	0	424.950	3.387	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(C)c3)n2)c(OC)c1	ZINC000218723896	568483141	/nfs/dbraw/zinc/48/31/41/568483141.db2.gz	RRWMSVPDPREOAO-UHFFFAOYSA-N	0	0	411.458	3.408	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218745085	568483314	/nfs/dbraw/zinc/48/33/14/568483314.db2.gz	HRGKMJQMUFINMS-QGZVFWFLSA-N	0	0	422.522	3.264	40	70		HGIBRN
CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)c1ccc2c(c1)OCO2	ZINC000218765002	568483447	/nfs/dbraw/zinc/48/34/47/568483447.db2.gz	VJJARHTYLOWJHD-MRXNPFEDSA-N	0	0	418.515	3.066	40	70		HGIBRN
CCOc1ccccc1CCCNC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1	ZINC000218778880	568483528	/nfs/dbraw/zinc/48/35/28/568483528.db2.gz	WDHDBXNRLANBEZ-UHFFFAOYSA-N	0	0	404.532	3.234	40	70		HGIBRN
O=C1CS[C@@H](c2cn(Cc3cccc(Br)c3)nn2)N1Cc1ccco1	ZINC000216685060	568466336	/nfs/dbraw/zinc/46/63/36/568466336.db2.gz	YOEPKLVPQMZSJD-KRWDZBQOSA-N	0	0	419.304	3.456	40	70		HGIBRN
Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216855714	568468331	/nfs/dbraw/zinc/46/83/31/568468331.db2.gz	LCTFXVYLFBHYMD-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
C[NH+]1CCC(CCNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1	ZINC000216950148	568469762	/nfs/dbraw/zinc/46/97/62/568469762.db2.gz	LYFHYXHSSXNJID-UHFFFAOYSA-N	0	0	407.561	3.011	40	70		HGIBRN
COc1ccc(/C=C/C(=O)NCc2ccc(OC)c(OC)c2OC)c(OC)c1OC	ZINC000218184658	568476014	/nfs/dbraw/zinc/47/60/14/568476014.db2.gz	WWGCBBHBAWFQDD-FMIVXFBMSA-N	0	0	417.458	3.068	40	70		HGIBRN
CCCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O	ZINC000218286795	568477578	/nfs/dbraw/zinc/47/75/78/568477578.db2.gz	ROBWHECGXIUHKT-GOSISDBHSA-N	0	0	418.559	3.379	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218369026	568479271	/nfs/dbraw/zinc/47/92/71/568479271.db2.gz	SACHFVGYEIOLNO-RBUKOAKNSA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218366542	568479337	/nfs/dbraw/zinc/47/93/37/568479337.db2.gz	DMGONDPHKODXFK-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1	ZINC000218383494	568479600	/nfs/dbraw/zinc/47/96/00/568479600.db2.gz	ITQRSHHIRGZDOX-HNNXBMFYSA-N	0	0	424.950	3.252	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000218403104	568479915	/nfs/dbraw/zinc/47/99/15/568479915.db2.gz	HDMCGPGYRTZMLH-QGZVFWFLSA-N	0	0	404.488	3.099	40	70		HGIBRN
NC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1	ZINC000218422199	568480099	/nfs/dbraw/zinc/48/00/99/568480099.db2.gz	GLHOTBUQCDERQU-QFIPXVFZSA-N	0	0	421.478	3.405	40	70		HGIBRN
CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1	ZINC000218419904	568480125	/nfs/dbraw/zinc/48/01/25/568480125.db2.gz	SQDDTEUZXLNEHK-HXUWFJFHSA-N	0	0	403.548	3.184	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000218477486	568480873	/nfs/dbraw/zinc/48/08/73/568480873.db2.gz	PJMKVGHHIHGZMV-HOTGVXAUSA-N	0	0	424.950	3.387	40	70		HGIBRN
COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000218507205	568481289	/nfs/dbraw/zinc/48/12/89/568481289.db2.gz	YYZSPGIIPZWSDV-UHFFFAOYSA-N	0	0	402.516	3.060	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1	ZINC000218546376	568481619	/nfs/dbraw/zinc/48/16/19/568481619.db2.gz	AEZARPODXACYDY-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000218549107	568481660	/nfs/dbraw/zinc/48/16/60/568481660.db2.gz	OZANNUMBVSPSSA-OALUTQOASA-N	0	0	418.559	3.350	40	70		HGIBRN
Cc1ccc(N(CCCC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1C	ZINC000218559151	568481734	/nfs/dbraw/zinc/48/17/34/568481734.db2.gz	UJLIFDUSGMHIRP-UHFFFAOYSA-N	0	0	417.575	3.102	40	70		HGIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1	ZINC000218591176	568482143	/nfs/dbraw/zinc/48/21/43/568482143.db2.gz	JLVGJMGIVGKUOO-UHFFFAOYSA-N	0	0	420.516	3.140	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1	ZINC000218643788	568482655	/nfs/dbraw/zinc/48/26/55/568482655.db2.gz	JWTSNGHLPGWJKM-UHFFFAOYSA-N	0	0	420.878	3.082	40	70		HGIBRN
CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1	ZINC000218644105	568482807	/nfs/dbraw/zinc/48/28/07/568482807.db2.gz	MZNYMBSZMUEQTL-UHFFFAOYSA-N	0	0	414.487	3.079	40	70		HGIBRN
O=C1CS[C@@H](c2cn(Cc3ccc(Br)cc3)nn2)N1Cc1ccco1	ZINC000216685286	568466421	/nfs/dbraw/zinc/46/64/21/568466421.db2.gz	LJSREKVXBKWISI-KRWDZBQOSA-N	0	0	419.304	3.456	40	70		HGIBRN
Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1	ZINC000216874904	568468954	/nfs/dbraw/zinc/46/89/54/568468954.db2.gz	MUWPHYDYALPJDJ-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1	ZINC000217656998	568473394	/nfs/dbraw/zinc/47/33/94/568473394.db2.gz	BEYFEKWVVRAIPI-AKHDSKFASA-N	0	0	412.848	3.314	40	70		HGIBRN
Cc1cc(Cl)ccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000218268762	568477089	/nfs/dbraw/zinc/47/70/89/568477089.db2.gz	LRNCQDLJNWCZRA-UHFFFAOYSA-N	0	0	423.966	3.057	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	ZINC000218359021	568479192	/nfs/dbraw/zinc/47/91/92/568479192.db2.gz	FRUYPPMQXMQHDU-ROUUACIJSA-N	0	0	404.532	3.042	40	70		HGIBRN
Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1	ZINC000218377879	568479346	/nfs/dbraw/zinc/47/93/46/568479346.db2.gz	UQRGVDHHXOPCDU-RBUKOAKNSA-N	0	0	418.559	3.350	40	70		HGIBRN
C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218387848	568479614	/nfs/dbraw/zinc/47/96/14/568479614.db2.gz	WAWVSAARNZKFIM-INIZCTEOSA-N	0	0	423.966	3.137	40	70		HGIBRN
Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000218432032	568480323	/nfs/dbraw/zinc/48/03/23/568480323.db2.gz	ZNEWCMIUKRGLEX-UHFFFAOYSA-N	0	0	418.515	3.294	40	70		HGIBRN
Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCCC1	ZINC000218509729	568481262	/nfs/dbraw/zinc/48/12/62/568481262.db2.gz	UKXOHXYADWOSNC-UHFFFAOYSA-N	0	0	416.543	3.497	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1	ZINC000218623170	568482544	/nfs/dbraw/zinc/48/25/44/568482544.db2.gz	CWMSOUMOSALXHV-GOSISDBHSA-N	0	0	416.543	3.285	40	70		HGIBRN
CC[C@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1	ZINC000218642864	568482627	/nfs/dbraw/zinc/48/26/27/568482627.db2.gz	OOZMVSJQSXCKMN-KRWDZBQOSA-N	0	0	406.504	3.347	40	70		HGIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C	ZINC000218629287	568482629	/nfs/dbraw/zinc/48/26/29/568482629.db2.gz	PLVGDJXYJGOLCM-GOSISDBHSA-N	0	0	416.543	3.124	40	70		HGIBRN
Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216855680	568468349	/nfs/dbraw/zinc/46/83/49/568468349.db2.gz	WADQYTZIUVHPIW-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216869216	568468761	/nfs/dbraw/zinc/46/87/61/568468761.db2.gz	ZEVYCGGKTOFFNZ-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(OC)c3)n2)c(OC)c1	ZINC000217881748	568474174	/nfs/dbraw/zinc/47/41/74/568474174.db2.gz	DCPVGZFOVYSMSV-UHFFFAOYSA-N	0	0	413.430	3.043	40	70		HGIBRN
COc1ccc(CCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC	ZINC000218187088	568476202	/nfs/dbraw/zinc/47/62/02/568476202.db2.gz	YWDQXMSLIHVLHM-JLHYYAGUSA-N	0	0	415.486	3.492	40	70		HGIBRN
COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218277502	568477346	/nfs/dbraw/zinc/47/73/46/568477346.db2.gz	AMVKGUTTXKCPGZ-DLBZAZTESA-N	0	0	404.532	3.344	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1	ZINC000218336579	568478733	/nfs/dbraw/zinc/47/87/33/568478733.db2.gz	CWBLFICNGOFDMX-SFHVURJKSA-N	0	0	418.515	3.123	40	70		HGIBRN
Cc1ccc(N([C@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1	ZINC000218354317	568479008	/nfs/dbraw/zinc/47/90/08/568479008.db2.gz	PNYOFJVBUIIBGY-QGZVFWFLSA-N	0	0	404.532	3.253	40	70		HGIBRN
CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C)cc1C	ZINC000218420094	568480062	/nfs/dbraw/zinc/48/00/62/568480062.db2.gz	BVFVCWXGSVVGLH-HXUWFJFHSA-N	0	0	403.548	3.184	40	70		HGIBRN
COc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1	ZINC000218510669	568481235	/nfs/dbraw/zinc/48/12/35/568481235.db2.gz	PLZHYTFUTCMMJB-UHFFFAOYSA-N	0	0	416.543	3.151	40	70		HGIBRN
Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000218554441	568481740	/nfs/dbraw/zinc/48/17/40/568481740.db2.gz	GICPFEVSFALZET-MRXNPFEDSA-N	0	0	423.966	3.056	40	70		HGIBRN
Cc1ccccc1OC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C	ZINC000218623078	568482478	/nfs/dbraw/zinc/48/24/78/568482478.db2.gz	IPSDAFXYVLUNJK-SFHVURJKSA-N	0	0	416.543	3.285	40	70		HGIBRN
CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)c1ccc2c(c1)OCO2	ZINC000218764962	568483387	/nfs/dbraw/zinc/48/33/87/568483387.db2.gz	VJJARHTYLOWJHD-INIZCTEOSA-N	0	0	418.515	3.066	40	70		HGIBRN
CC[C@H](NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1	ZINC000218782821	568483486	/nfs/dbraw/zinc/48/34/86/568483486.db2.gz	FGBPFCZFCLZDFA-SFHVURJKSA-N	0	0	420.531	3.371	40	70		HGIBRN
CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216856661	568468458	/nfs/dbraw/zinc/46/84/58/568468458.db2.gz	TXPYTILCRQVMID-UHFFFAOYSA-N	0	0	415.559	3.054	40	70		HGIBRN
COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1	ZINC000217921715	568474304	/nfs/dbraw/zinc/47/43/04/568474304.db2.gz	LTLCASPLAFCUGV-KPKJPENVSA-N	0	0	409.442	3.434	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	ZINC000218378086	568479434	/nfs/dbraw/zinc/47/94/34/568479434.db2.gz	IJIIEMVOLXAPQC-RBUKOAKNSA-N	0	0	418.559	3.350	40	70		HGIBRN
COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000218465562	568480799	/nfs/dbraw/zinc/48/07/99/568480799.db2.gz	GXHBCNCGGMNLFY-CQSZACIVSA-N	0	0	410.923	3.162	40	70		HGIBRN
C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218479695	568480825	/nfs/dbraw/zinc/48/08/25/568480825.db2.gz	XZPWBFYUFHIXPC-INIZCTEOSA-N	0	0	423.966	3.137	40	70		HGIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000218477411	568480857	/nfs/dbraw/zinc/48/08/57/568480857.db2.gz	PJMKVGHHIHGZMV-CVEARBPZSA-N	0	0	424.950	3.387	40	70		HGIBRN
C[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218479767	568480897	/nfs/dbraw/zinc/48/08/97/568480897.db2.gz	XZPWBFYUFHIXPC-MRXNPFEDSA-N	0	0	423.966	3.137	40	70		HGIBRN
COc1ccccc1CCCNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O	ZINC000218546185	568481620	/nfs/dbraw/zinc/48/16/20/568481620.db2.gz	SGILHHIDPUOORZ-SFHVURJKSA-N	0	0	418.559	3.216	40	70		HGIBRN
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(NS(C)(=O)=O)c1	ZINC000218571164	568481906	/nfs/dbraw/zinc/48/19/06/568481906.db2.gz	TYKIZFCWXQMBIB-UHFFFAOYSA-N	0	0	420.878	3.034	40	70		HGIBRN
COc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1	ZINC000218621722	568482523	/nfs/dbraw/zinc/48/25/23/568482523.db2.gz	QJJNRINSJUVRPE-UHFFFAOYSA-N	0	0	416.543	3.151	40	70		HGIBRN
CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218582895	568882539	/nfs/dbraw/zinc/88/25/39/568882539.db2.gz	NAFXETIKJBKVBK-IRFCIJBXSA-N	0	0	403.569	3.498	40	70		HGIBRN
O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@@H]1O3	ZINC000217520436	568472634	/nfs/dbraw/zinc/47/26/34/568472634.db2.gz	YEVPHJIBDVTKJC-MTQWNXOMSA-N	0	0	413.477	3.131	40	70	biogenic	HGIBRN
COc1ccc(Cl)cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@H]23)C1O	ZINC000217571338	568472898	/nfs/dbraw/zinc/47/28/98/568472898.db2.gz	DGCKMEPKTUBWJY-XCLNPWKQSA-N	0	0	424.884	3.184	40	70		HGIBRN
COc1cc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c(OC)cc1Cl	ZINC000218230712	568476635	/nfs/dbraw/zinc/47/66/35/568476635.db2.gz	FENJABDMHKPADL-UHFFFAOYSA-N	0	0	412.895	3.070	40	70		HGIBRN
COc1ccc(N([C@H](C)C(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1	ZINC000218274697	568477236	/nfs/dbraw/zinc/47/72/36/568477236.db2.gz	DJOSCKQRUFVACS-OAHLLOKOSA-N	0	0	424.950	3.252	40	70		HGIBRN
CN(CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	ZINC000218304012	568478060	/nfs/dbraw/zinc/47/80/60/568478060.db2.gz	POJCIKAYZTUORH-UHFFFAOYSA-N	0	0	423.538	3.378	40	70		HGIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1	ZINC000218336193	568478564	/nfs/dbraw/zinc/47/85/64/568478564.db2.gz	RTFAKRRTTUAGBK-SFHVURJKSA-N	0	0	402.516	3.423	40	70		HGIBRN
CCCCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1	ZINC000218332307	568478618	/nfs/dbraw/zinc/47/86/18/568478618.db2.gz	ZBLMEGLWKLVBPS-UHFFFAOYSA-N	0	0	404.488	3.292	40	70		HGIBRN
CCCOc1ccccc1CCCNC(=O)c1ccccc1N(C)S(C)(=O)=O	ZINC000218342086	568478674	/nfs/dbraw/zinc/47/86/74/568478674.db2.gz	QQMDTGSEEYMWLB-UHFFFAOYSA-N	0	0	404.532	3.234	40	70		HGIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)CC(C)(C)O2	ZINC000218342777	568478741	/nfs/dbraw/zinc/47/87/41/568478741.db2.gz	IBYGZTKRNJFLSC-KRWDZBQOSA-N	0	0	402.516	3.423	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000218385539	568479615	/nfs/dbraw/zinc/47/96/15/568479615.db2.gz	GVIWJEOBXXBWMC-JKSUJKDBSA-N	0	0	424.950	3.387	40	70		HGIBRN
Cc1ccc(SCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218446473	568480466	/nfs/dbraw/zinc/48/04/66/568480466.db2.gz	NFYZTJPVDGKRBM-HNNXBMFYSA-N	0	0	410.536	3.197	40	70		HGIBRN
COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1	ZINC000218469260	568480797	/nfs/dbraw/zinc/48/07/97/568480797.db2.gz	BHRCQCMWFZZARF-CYBMUJFWSA-N	0	0	424.906	3.228	40	70		HGIBRN
CC(C)(C)c1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1	ZINC000218561040	568481758	/nfs/dbraw/zinc/48/17/58/568481758.db2.gz	UFILRPRYLKMKNF-UHFFFAOYSA-N	0	0	400.544	3.335	40	70		HGIBRN
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc(NS(C)(=O)=O)c1	ZINC000218571069	568481872	/nfs/dbraw/zinc/48/18/72/568481872.db2.gz	SPVGSJHRZBUJAD-UHFFFAOYSA-N	0	0	420.878	3.034	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3)n2)c(OC)c1	ZINC000218691162	568482936	/nfs/dbraw/zinc/48/29/36/568482936.db2.gz	SIGWRLQBLZJWGX-HNNXBMFYSA-N	0	0	411.458	3.488	40	70		HGIBRN
CCOC[C@@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218619725	568884470	/nfs/dbraw/zinc/88/44/70/568884470.db2.gz	MVOZOWQYZYTBQW-WSTZPKSXSA-N	0	0	407.532	3.383	40	70		HGIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Cl)cc1C	ZINC000216862022	568468583	/nfs/dbraw/zinc/46/85/83/568468583.db2.gz	KOOCSTJMASCYPV-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000217926222	568474305	/nfs/dbraw/zinc/47/43/05/568474305.db2.gz	JIDCQSUCWITNSX-UTGRISEESA-N	0	0	403.500	3.388	40	70		HGIBRN
Cc1c(Cl)cccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000218270552	568477217	/nfs/dbraw/zinc/47/72/17/568477217.db2.gz	KAWQHIDDIDUVAR-UHFFFAOYSA-N	0	0	423.966	3.057	40	70		HGIBRN
COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000218383687	568479590	/nfs/dbraw/zinc/47/95/90/568479590.db2.gz	NSVVLTJQNDQTJE-HNNXBMFYSA-N	0	0	424.950	3.252	40	70		HGIBRN
CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1	ZINC000218443579	568480457	/nfs/dbraw/zinc/48/04/57/568480457.db2.gz	MWHZKRICWKBLLS-SFHVURJKSA-N	0	0	420.531	3.371	40	70		HGIBRN
CCOc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218459967	568480699	/nfs/dbraw/zinc/48/06/99/568480699.db2.gz	KLRMYQLKEDAHOK-INIZCTEOSA-N	0	0	422.522	3.128	40	70		HGIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C	ZINC000218521594	568481323	/nfs/dbraw/zinc/48/13/23/568481323.db2.gz	SRVYCYSPRGPUFH-SFHVURJKSA-N	0	0	416.543	3.124	40	70		HGIBRN
Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1	ZINC000218554191	568481750	/nfs/dbraw/zinc/48/17/50/568481750.db2.gz	SJVUSYHFELCQRF-MRXNPFEDSA-N	0	0	424.950	3.307	40	70		HGIBRN
Cc1ccc(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000218559040	568481812	/nfs/dbraw/zinc/48/18/12/568481812.db2.gz	OEKVZJSUYCYTQC-UHFFFAOYSA-N	0	0	418.559	3.353	40	70		HGIBRN
CC[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(OC)c(OC)c1	ZINC000218589245	568482158	/nfs/dbraw/zinc/48/21/58/568482158.db2.gz	RDOWSLBBZNKRRH-MRXNPFEDSA-N	0	0	406.504	3.265	40	70		HGIBRN
CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(OC)c(OC)c1	ZINC000218598706	568482286	/nfs/dbraw/zinc/48/22/86/568482286.db2.gz	XTGDTFRZDLUFDP-MRXNPFEDSA-N	0	0	406.504	3.265	40	70		HGIBRN
COc1ccc(-c2noc(CNC(=O)c3cc4cccc(OC)c4o3)n2)c(OC)c1	ZINC000218618833	568482543	/nfs/dbraw/zinc/48/25/43/568482543.db2.gz	OQGKQKIEOQUUSL-UHFFFAOYSA-N	0	0	409.398	3.439	40	70		HGIBRN
CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218615988	568941660	/nfs/dbraw/zinc/94/16/60/568941660.db2.gz	BUUMHSSGLPSRSN-HBFSDRIKSA-N	0	0	407.532	3.383	40	70		HGIBRN
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c(C)c1	ZINC000216874716	568468828	/nfs/dbraw/zinc/46/88/28/568468828.db2.gz	BEKZACWJFXNAAY-UHFFFAOYSA-N	0	0	421.950	3.145	40	70		HGIBRN
O=c1cccc2n1C[C@@H]1C[C@H]2CN([C@@H](c2nnnn2-c2ccccc2)c2ccccc2)C1	ZINC000217384146	568471847	/nfs/dbraw/zinc/47/18/47/568471847.db2.gz	MTAIYTIOQSSQHB-LJFZDNNRSA-N	0	0	424.508	3.033	40	70		HGIBRN
O=C(Nc1ccccc1)[C@@H]1[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@@H]1O3	ZINC000217520517	568472680	/nfs/dbraw/zinc/47/26/80/568472680.db2.gz	YEVPHJIBDVTKJC-UEOMBKFZSA-N	0	0	413.477	3.131	40	70	biogenic	HGIBRN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccc(Cl)cc1	ZINC000218041091	568474864	/nfs/dbraw/zinc/47/48/64/568474864.db2.gz	TUPHKXVEHXQVHT-UHFFFAOYSA-N	0	0	424.975	3.413	40	70		HGIBRN
CC(C)(C)SCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218309687	568478221	/nfs/dbraw/zinc/47/82/21/568478221.db2.gz	HRFDNLRHIOMJCG-UHFFFAOYSA-N	0	0	413.392	3.407	40	70		HGIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1	ZINC000218336669	568478672	/nfs/dbraw/zinc/47/86/72/568478672.db2.gz	CWBLFICNGOFDMX-GOSISDBHSA-N	0	0	418.515	3.123	40	70		HGIBRN
COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)CC(C)(C)O2	ZINC000218343140	568478780	/nfs/dbraw/zinc/47/87/80/568478780.db2.gz	CZOCVFWRJMXSLW-KRWDZBQOSA-N	0	0	418.515	3.123	40	70		HGIBRN
C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000218383028	568479599	/nfs/dbraw/zinc/47/95/99/568479599.db2.gz	FCAUNEIHRYYJDQ-AWEZNQCLSA-N	0	0	412.914	3.383	40	70		HGIBRN
O=C(NCCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000218436564	568480346	/nfs/dbraw/zinc/48/03/46/568480346.db2.gz	PJDYCFYQHUEIJZ-JOCHJYFZSA-N	0	0	422.506	3.002	40	70		HGIBRN
COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218448114	568480468	/nfs/dbraw/zinc/48/04/68/568480468.db2.gz	LKKQLKGBVIGMBG-LLVKDONJSA-N	0	0	400.859	3.281	40	70		HGIBRN
C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218456846	568480669	/nfs/dbraw/zinc/48/06/69/568480669.db2.gz	BFCCXIUSQZJFMS-AWEZNQCLSA-N	0	0	412.914	3.383	40	70		HGIBRN
COc1ccc(CN(C)C(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000218465652	568480793	/nfs/dbraw/zinc/48/07/93/568480793.db2.gz	GXHBCNCGGMNLFY-AWEZNQCLSA-N	0	0	410.923	3.162	40	70		HGIBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218476986	568480905	/nfs/dbraw/zinc/48/09/05/568480905.db2.gz	CJHZRMSWIQMLEZ-JKSUJKDBSA-N	0	0	424.950	3.387	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3)n2)c(OC)c1	ZINC000218691083	568482887	/nfs/dbraw/zinc/48/28/87/568482887.db2.gz	SIGWRLQBLZJWGX-OAHLLOKOSA-N	0	0	411.458	3.488	40	70		HGIBRN
Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216843964	568468042	/nfs/dbraw/zinc/46/80/42/568468042.db2.gz	ZYKJSTVLZZFANH-UHFFFAOYSA-N	0	0	421.526	3.153	40	70		HGIBRN
CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216869313	568468800	/nfs/dbraw/zinc/46/88/00/568468800.db2.gz	VEXFTCUWNCJXGF-UHFFFAOYSA-N	0	0	421.950	3.091	40	70		HGIBRN
O=C(c1ccccc1)[C@@H]1[C@H]2[C@@H](C(=O)[C@@H]3OC[C@H]2O3)[C@H]2C=Cc3cc(Cl)ccc3N21	ZINC000217369200	568471739	/nfs/dbraw/zinc/47/17/39/568471739.db2.gz	NSDGRSXHJPOKID-IHJKCLJMSA-N	0	0	407.853	3.364	40	70		HGIBRN
CC(C)CCNC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1	ZINC000217765592	568473847	/nfs/dbraw/zinc/47/38/47/568473847.db2.gz	KFRRIOCYDZSVEE-PKOBYXMFSA-N	0	0	422.529	3.275	40	70		HGIBRN
COc1ccc(-c2noc(CNC(=O)c3ccc(Br)cc3)n2)c(OC)c1	ZINC000217870926	568474237	/nfs/dbraw/zinc/47/42/37/568474237.db2.gz	WWRBGJZVOWTPRJ-UHFFFAOYSA-N	0	0	418.247	3.446	40	70		HGIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)c(OC)c1	ZINC000217933264	568474329	/nfs/dbraw/zinc/47/43/29/568474329.db2.gz	HIAZBBGOBIKSEX-WEVVVXLNSA-N	0	0	423.425	3.154	40	70		HGIBRN
CCOc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218294484	568477844	/nfs/dbraw/zinc/47/78/44/568477844.db2.gz	BFYYDWOHMRHHNV-INIZCTEOSA-N	0	0	422.522	3.128	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1	ZINC000218366347	568479253	/nfs/dbraw/zinc/47/92/53/568479253.db2.gz	CYHCVWRVVCSPOH-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
COc1cccc(CCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1	ZINC000218375532	568479427	/nfs/dbraw/zinc/47/94/27/568479427.db2.gz	IIFVCIXKCYMTJK-GOSISDBHSA-N	0	0	418.559	3.216	40	70		HGIBRN
C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218474722	568480757	/nfs/dbraw/zinc/48/07/57/568480757.db2.gz	QNCCSLKZHBPFHR-AWEZNQCLSA-N	0	0	412.914	3.383	40	70		HGIBRN
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1	ZINC000218469330	568480784	/nfs/dbraw/zinc/48/07/84/568480784.db2.gz	BHRCQCMWFZZARF-ZDUSSCGKSA-N	0	0	424.906	3.228	40	70		HGIBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218477134	568480821	/nfs/dbraw/zinc/48/08/21/568480821.db2.gz	CJHZRMSWIQMLEZ-HOTGVXAUSA-N	0	0	424.950	3.387	40	70		HGIBRN
COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O	ZINC000218484011	568481005	/nfs/dbraw/zinc/48/10/05/568481005.db2.gz	POFLQXKCXXNKNV-GFCCVEGCSA-N	0	0	424.906	3.344	40	70		HGIBRN
Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1	ZINC000218505596	568481065	/nfs/dbraw/zinc/48/10/65/568481065.db2.gz	VTOQMPRZTYMJJD-UHFFFAOYSA-N	0	0	416.543	3.287	40	70		HGIBRN
Cc1ccc(C)c(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1	ZINC000218546004	568481635	/nfs/dbraw/zinc/48/16/35/568481635.db2.gz	SZWYSBWTGBVFHW-QGZVFWFLSA-N	0	0	406.523	3.346	40	70		HGIBRN
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c(OC)c1	ZINC000218680999	568482923	/nfs/dbraw/zinc/48/29/23/568482923.db2.gz	SGTZDRACELCGGV-GFCCVEGCSA-N	0	0	417.849	3.491	40	70		HGIBRN
Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1	ZINC000218745140	568483279	/nfs/dbraw/zinc/48/32/79/568483279.db2.gz	HRGKMJQMUFINMS-KRWDZBQOSA-N	0	0	422.522	3.264	40	70		HGIBRN
CC[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1	ZINC000218763311	568483377	/nfs/dbraw/zinc/48/33/77/568483377.db2.gz	LAWDTXLXQCHPFW-NRFANRHFSA-N	0	0	418.559	3.341	40	70		HGIBRN
Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(=O)(=O)N(C)C)c1	ZINC000218766868	568483453	/nfs/dbraw/zinc/48/34/53/568483453.db2.gz	VKBIDPINMCBXFN-IBGZPJMESA-N	0	0	417.575	3.410	40	70		HGIBRN
CC(C)c1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1	ZINC000218773405	568483521	/nfs/dbraw/zinc/48/35/21/568483521.db2.gz	MPHZEOIXSILPBR-UHFFFAOYSA-N	0	0	417.575	3.415	40	70		HGIBRN
CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1C	ZINC000218772051	568483531	/nfs/dbraw/zinc/48/35/31/568483531.db2.gz	XRSDKUXWPGWWRI-FQEVSTJZSA-N	0	0	403.548	3.427	40	70		HGIBRN
CCOC[C@@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218582758	568882627	/nfs/dbraw/zinc/88/26/27/568882627.db2.gz	NAFXETIKJBKVBK-SVFBPWRDSA-N	0	0	403.569	3.498	40	70		HGIBRN
CCOC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218616134	568884431	/nfs/dbraw/zinc/88/44/31/568884431.db2.gz	BUUMHSSGLPSRSN-BJLQDIEVSA-N	0	0	407.532	3.383	40	70		HGIBRN