smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216796730	557155567	/nfs/dbraw/zinc/15/55/67/557155567.db2.gz	KYMWSRUJMFOZHQ-UHFFFAOYSA-N	1	2	439.559	1.741	40	70		IDIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2Cl)CC1	ZINC000216871598	557160582	/nfs/dbraw/zinc/16/05/82/557160582.db2.gz	WBIPOTUGWRHFJL-UHFFFAOYSA-N	1	2	436.921	1.627	40	70		IDIBLO
Cc1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216887375	557162060	/nfs/dbraw/zinc/16/20/60/557162060.db2.gz	LYAYLSTYTHULRH-UHFFFAOYSA-N	1	2	431.558	1.881	40	70		IDIBLO
COC(=O)C[C@@]12C(=O)NCC[N@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	ZINC000217802509	557174012	/nfs/dbraw/zinc/17/40/12/557174012.db2.gz	GECBPMWPXOXFKH-CROMWVBPSA-N	1	2	437.452	1.182	40	70		IDIBLO
COC(=O)C[C@@]12C(=O)NCC[N@@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	ZINC000217802509	557174017	/nfs/dbraw/zinc/17/40/17/557174017.db2.gz	GECBPMWPXOXFKH-CROMWVBPSA-N	1	2	437.452	1.182	40	70		IDIBLO
COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2OC)cc1	ZINC000216786558	557153847	/nfs/dbraw/zinc/15/38/47/557153847.db2.gz	HWDXNIGJAOVPOC-UHFFFAOYSA-N	1	2	447.557	1.612	40	70		IDIBLO
COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216786060	557153912	/nfs/dbraw/zinc/15/39/12/557153912.db2.gz	JLSGEHUIIDSWNA-UHFFFAOYSA-N	1	2	447.513	1.290	40	70		IDIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1N1CC[NH+](C)CC1	ZINC000216791504	557154273	/nfs/dbraw/zinc/15/42/73/557154273.db2.gz	HYBVNQKNHFLDBV-UHFFFAOYSA-N	1	2	446.529	1.385	40	70		IDIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216791933	557154644	/nfs/dbraw/zinc/15/46/44/557154644.db2.gz	JUOFSSATJKAELP-UHFFFAOYSA-N	1	2	445.545	1.557	40	70		IDIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216794819	557155259	/nfs/dbraw/zinc/15/52/59/557155259.db2.gz	MOPKULLAXMOYMJ-UHFFFAOYSA-N	1	2	445.545	1.088	40	70		IDIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C(N)=O)cc3)c2)CC1	ZINC000216879142	557160735	/nfs/dbraw/zinc/16/07/35/557160735.db2.gz	DGRVWEJZDBXVFP-UHFFFAOYSA-N	1	2	436.921	1.627	40	70		IDIBLO
O=C(NCC[NH+]1CCOCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000218438663	557199602	/nfs/dbraw/zinc/19/96/02/557199602.db2.gz	WODMKUOZTMJRSP-FQEVSTJZSA-N	1	2	431.514	1.091	40	70		IDIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCc1ccc2c(c1)OCO2	ZINC000216788875	557154226	/nfs/dbraw/zinc/15/42/26/557154226.db2.gz	ZYEZMZMNXAJNKN-UHFFFAOYSA-N	1	2	447.513	1.290	40	70		IDIBLO
CNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216789684	557154233	/nfs/dbraw/zinc/15/42/33/557154233.db2.gz	LKDQBWYDADJAHM-UHFFFAOYSA-N	1	2	446.573	1.328	40	70		IDIBLO
CNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1N1CC[NH+](C)CC1	ZINC000216792182	557154562	/nfs/dbraw/zinc/15/45/62/557154562.db2.gz	XMWRKPLKLVXOIM-UHFFFAOYSA-N	1	2	446.529	1.005	40	70		IDIBLO
COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1C	ZINC000216866821	557159601	/nfs/dbraw/zinc/15/96/01/557159601.db2.gz	JHTUAWJJKWTTOW-UHFFFAOYSA-N	1	2	431.514	1.970	40	70		IDIBLO
CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)CC1	ZINC000216856443	557157707	/nfs/dbraw/zinc/15/77/07/557157707.db2.gz	YAUMVAAUHRWBPV-UHFFFAOYSA-N	1	2	437.562	1.346	40	70		IDIBLO
CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)CC1	ZINC000216862562	557158883	/nfs/dbraw/zinc/15/88/83/557158883.db2.gz	JAXWCJFWOBMGAS-UHFFFAOYSA-N	1	2	437.562	1.346	40	70		IDIBLO
COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c1	ZINC000216864023	557158943	/nfs/dbraw/zinc/15/89/43/557158943.db2.gz	UWILIPMRMIYLDF-UHFFFAOYSA-N	1	2	431.514	1.970	40	70		IDIBLO
CC(=O)Nc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216885165	557161632	/nfs/dbraw/zinc/16/16/32/557161632.db2.gz	AHCSASXQQWTMLJ-UHFFFAOYSA-N	1	2	430.530	1.975	40	70		IDIBLO
COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216783497	557153607	/nfs/dbraw/zinc/15/36/07/557153607.db2.gz	ASISGERREITWMU-UHFFFAOYSA-N	1	2	447.557	1.612	40	70		IDIBLO
COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216867220	557159661	/nfs/dbraw/zinc/15/96/61/557159661.db2.gz	UFTAUSLURDGXKQ-UHFFFAOYSA-N	1	2	431.558	1.994	40	70		IDIBLO
CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCCC[C@H]1O	ZINC000216873193	557160602	/nfs/dbraw/zinc/16/06/02/557160602.db2.gz	PWBDFKWCEQYLLF-IAGOWNOFSA-N	1	2	429.970	1.652	40	70		IDIBLO
COC(=O)C[C@@]12C(=O)NCC[N@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000217802826	557173917	/nfs/dbraw/zinc/17/39/17/557173917.db2.gz	MHVHYRDHICVICQ-QSNWEANLSA-N	1	2	441.415	1.013	40	70		IDIBLO
COC(=O)C[C@@]12C(=O)NCC[N@@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000217802826	557173922	/nfs/dbraw/zinc/17/39/22/557173922.db2.gz	MHVHYRDHICVICQ-QSNWEANLSA-N	1	2	441.415	1.013	40	70		IDIBLO
COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	ZINC000217802587	557173958	/nfs/dbraw/zinc/17/39/58/557173958.db2.gz	GECBPMWPXOXFKH-GBPOLFSSSA-N	1	2	437.452	1.182	40	70		IDIBLO
COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	ZINC000217802587	557173959	/nfs/dbraw/zinc/17/39/59/557173959.db2.gz	GECBPMWPXOXFKH-GBPOLFSSSA-N	1	2	437.452	1.182	40	70		IDIBLO
Cc1cccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c1C	ZINC000218310512	557192039	/nfs/dbraw/zinc/19/20/39/557192039.db2.gz	JOEAVVBDGIFENB-UHFFFAOYSA-N	1	2	431.558	1.947	40	70		IDIBLO
COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1OC	ZINC000216866464	557159708	/nfs/dbraw/zinc/15/97/08/557159708.db2.gz	IRXBAKDMPNVUAZ-UHFFFAOYSA-N	1	2	447.557	1.612	40	70		IDIBLO
COC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216882730	557161351	/nfs/dbraw/zinc/16/13/51/557161351.db2.gz	XZELFCZDLQWMDF-UHFFFAOYSA-N	1	2	431.514	1.803	40	70		IDIBLO
COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216854795	557157780	/nfs/dbraw/zinc/15/77/80/557157780.db2.gz	KTTPYUWDUOPOGD-UHFFFAOYSA-N	1	2	431.514	1.970	40	70		IDIBLO
COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1	ZINC000216861423	557158659	/nfs/dbraw/zinc/15/86/59/557158659.db2.gz	GXEIUFIYLDPKRM-UHFFFAOYSA-N	1	2	431.514	1.970	40	70		IDIBLO
CN(C(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)[C@@H]1CCCC[C@H]1O	ZINC000216881005	557161228	/nfs/dbraw/zinc/16/12/28/557161228.db2.gz	VRXAXONEBFHNCR-QZTJIDSGSA-N	1	2	429.970	1.652	40	70		IDIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1N1CC[NH+](C)CC1	ZINC000216791810	557154651	/nfs/dbraw/zinc/15/46/51/557154651.db2.gz	KIXGKVJRPQEDTE-UHFFFAOYSA-N	1	2	430.530	1.801	40	70		IDIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(N)=O)c2)CC1	ZINC000216879203	557160833	/nfs/dbraw/zinc/16/08/33/557160833.db2.gz	VMGKYSHLWZSLJC-UHFFFAOYSA-N	1	2	436.921	1.627	40	70		IDIBLO
CC(=O)Nc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000216886196	557161602	/nfs/dbraw/zinc/16/16/02/557161602.db2.gz	YCFUSSGILIIFNJ-UHFFFAOYSA-N	1	2	430.530	1.975	40	70		IDIBLO
COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216785806	557153921	/nfs/dbraw/zinc/15/39/21/557153921.db2.gz	ABWDQULVAHISOW-UHFFFAOYSA-N	1	2	446.529	1.842	40	70		IDIBLO
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1NC(C)=O	ZINC000216842533	557157378	/nfs/dbraw/zinc/15/73/78/557157378.db2.gz	VEEINOYFTWCEER-UHFFFAOYSA-N	1	2	446.529	1.842	40	70		IDIBLO
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCn3cc[nH+]c3)c2)CC1	ZINC000216879085	557160781	/nfs/dbraw/zinc/16/07/81/557160781.db2.gz	OCFWUAYCWLJKGE-UHFFFAOYSA-N	1	2	425.942	1.293	40	70		IDIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(NC(C)=O)cc1	ZINC000216788811	557154417	/nfs/dbraw/zinc/15/44/17/557154417.db2.gz	XZEQFEZJLKPMDK-UHFFFAOYSA-N	1	2	446.529	1.842	40	70		IDIBLO
CCNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1N1CC[NH+](C)CC1	ZINC000216792874	557154999	/nfs/dbraw/zinc/15/49/99/557154999.db2.gz	JOCDNQXHLSSYRS-UHFFFAOYSA-N	1	2	430.574	1.709	40	70		IDIBLO
COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216785351	557153895	/nfs/dbraw/zinc/15/38/95/557153895.db2.gz	ANZLFVHPWYBSEV-UHFFFAOYSA-N	1	2	447.513	1.670	40	70		IDIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216791570	557154413	/nfs/dbraw/zinc/15/44/13/557154413.db2.gz	DGKQNQOAUHUUNG-UHFFFAOYSA-N	1	2	446.529	1.385	40	70		IDIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216794320	557155211	/nfs/dbraw/zinc/15/52/11/557155211.db2.gz	RIAGERVLMJCEEN-UHFFFAOYSA-N	1	2	432.546	1.998	40	70		IDIBLO
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C	ZINC000216843105	557157437	/nfs/dbraw/zinc/15/74/37/557157437.db2.gz	VJIYVXOJEMGAPP-UHFFFAOYSA-N	1	2	439.559	1.741	40	70		IDIBLO
Cc1ccc(C(=O)NCCN(C)c2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216858966	557158085	/nfs/dbraw/zinc/15/80/85/557158085.db2.gz	YTYCLWPOLDWIHS-UHFFFAOYSA-N	1	2	430.574	1.797	40	70		IDIBLO
COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216861197	557158501	/nfs/dbraw/zinc/15/85/01/557158501.db2.gz	MFGSVZCVNJURBK-UHFFFAOYSA-N	1	2	431.514	1.970	40	70		IDIBLO
COc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216867427	557159641	/nfs/dbraw/zinc/15/96/41/557159641.db2.gz	RKYOHMZEZSASTM-QGZVFWFLSA-N	1	2	447.557	1.829	40	70		IDIBLO
COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1	ZINC000216857904	557157722	/nfs/dbraw/zinc/15/77/22/557157722.db2.gz	PEAWMINFSUPRDQ-UHFFFAOYSA-N	1	2	431.514	1.970	40	70		IDIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(N)=O)ccc2Cl)CC1	ZINC000216871650	557160573	/nfs/dbraw/zinc/16/05/73/557160573.db2.gz	KSVCYBZIZTVAQG-UHFFFAOYSA-N	1	2	436.921	1.627	40	70		IDIBLO
COC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216882227	557161176	/nfs/dbraw/zinc/16/11/76/557161176.db2.gz	QSRCOFUPYCMGKC-UHFFFAOYSA-N	1	2	431.514	1.803	40	70		IDIBLO
COC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000216886699	557161542	/nfs/dbraw/zinc/16/15/42/557161542.db2.gz	VBTWYLMMUCWXDM-UHFFFAOYSA-N	1	2	431.514	1.803	40	70		IDIBLO
O=C(NCC[NH+]1CCOCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000218438744	557199742	/nfs/dbraw/zinc/19/97/42/557199742.db2.gz	WODMKUOZTMJRSP-HXUWFJFHSA-N	1	2	431.514	1.091	40	70		IDIBLO
CCOc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(S(=O)(=O)NC)c2)cc1	ZINC000216791273	557154359	/nfs/dbraw/zinc/15/43/59/557154359.db2.gz	CQNFWVHJRAQDPH-UHFFFAOYSA-N	1	2	432.546	1.998	40	70		IDIBLO
COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1	ZINC000216867255	557159775	/nfs/dbraw/zinc/15/97/75/557159775.db2.gz	SUXTXDXVRMWGIM-UHFFFAOYSA-N	1	2	431.558	1.994	40	70		IDIBLO
COc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216867451	557159781	/nfs/dbraw/zinc/15/97/81/557159781.db2.gz	RKYOHMZEZSASTM-KRWDZBQOSA-N	1	2	447.557	1.829	40	70		IDIBLO
COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000217802911	557174057	/nfs/dbraw/zinc/17/40/57/557174057.db2.gz	MHVHYRDHICVICQ-QLDGJZPUSA-N	1	2	441.415	1.013	40	70		IDIBLO
COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000217802911	557174059	/nfs/dbraw/zinc/17/40/59/557174059.db2.gz	MHVHYRDHICVICQ-QLDGJZPUSA-N	1	2	441.415	1.013	40	70		IDIBLO
COC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216785418	557153959	/nfs/dbraw/zinc/15/39/59/557153959.db2.gz	KIWJWHHJEZCNCF-UHFFFAOYSA-N	1	2	447.513	1.670	40	70		IDIBLO
COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000216788370	557154404	/nfs/dbraw/zinc/15/44/04/557154404.db2.gz	YOAUAXUQWXJIKX-UHFFFAOYSA-N	1	2	447.513	1.670	40	70		IDIBLO
COC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)CC1	ZINC000216880096	557161287	/nfs/dbraw/zinc/16/12/87/557161287.db2.gz	YMKKUTJNPCFSHX-UHFFFAOYSA-N	1	2	443.953	1.301	40	70		IDIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCc1ccc2c(c1)OCO2	ZINC000216863004	557158920	/nfs/dbraw/zinc/15/89/20/557158920.db2.gz	RAXAVOVPEQSCFS-UHFFFAOYSA-N	1	2	431.514	1.590	40	70		IDIBLO
COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216867290	557159739	/nfs/dbraw/zinc/15/97/39/557159739.db2.gz	NWZJGLPOJZZPCY-UHFFFAOYSA-N	1	2	431.558	1.994	40	70		IDIBLO
COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2OC)cc1	ZINC000216788432	557154301	/nfs/dbraw/zinc/15/43/01/557154301.db2.gz	GRYABZNFXUKBHJ-UHFFFAOYSA-N	1	2	447.513	1.670	40	70		IDIBLO
COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216854521	557157412	/nfs/dbraw/zinc/15/74/12/557157412.db2.gz	VTZDONWFHUHLSM-UHFFFAOYSA-N	1	2	431.514	1.970	40	70		IDIBLO
COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216855339	557157698	/nfs/dbraw/zinc/15/76/98/557157698.db2.gz	LESNCACALGNSKO-UHFFFAOYSA-N	1	2	431.558	1.912	40	70		IDIBLO
CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccc(OCc2ccccc2)cc1	ZINC000218351886	557194470	/nfs/dbraw/zinc/19/44/70/557194470.db2.gz	KPECVYSQVSUVLK-UHFFFAOYSA-N	1	2	447.557	1.480	40	70		IDIBLO