smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc2c(c1)OCO2	ZINC000218003117	568922661	/nfs/dbraw/zinc/92/26/61/568922661.db2.gz	JMWFBLNOMJGIIY-GFCCVEGCSA-N	0	1	408.362	3.179	50	70	biogenic	HGIAMN
CCc1nc(C)sc1C(=O)NC1CCN(Cc2ccc(OC)c(OC)c2)CC1	ZINC000218345787	568478793	/nfs/dbraw/zinc/47/87/93/568478793.db2.gz	KIPUZXCLLYQZRU-UHFFFAOYSA-N	0	1	403.548	3.426	50	70		HGIAMN
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1O	ZINC000217913869	568919590	/nfs/dbraw/zinc/91/95/90/568919590.db2.gz	XLIGJQREVYPGDE-GFCCVEGCSA-N	0	1	410.378	3.165	50	70	biogenic	HGIAMN
Cn1nccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c21	ZINC000217649875	568901522	/nfs/dbraw/zinc/90/15/22/568901522.db2.gz	ZTPUNKYCEWNKSN-CYBMUJFWSA-N	0	1	404.378	3.046	50	70	biogenic	HGIAMN
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1O	ZINC000218089174	568925272	/nfs/dbraw/zinc/92/52/72/568925272.db2.gz	HXQNIRXYYDFRHW-GFCCVEGCSA-N	0	1	410.378	3.165	50	70	biogenic	HGIAMN
COc1ccc2c(c1)[nH]cc(C(=O)N[C@@H](CCSC)c1nnc3ccccn31)c2=O	ZINC000218326982	568478487	/nfs/dbraw/zinc/47/84/87/568478487.db2.gz	VQOSELJRTGQWKJ-INIZCTEOSA-N	0	1	423.498	3.216	50	70		HGIAMN
COC(=O)c1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	ZINC000218092633	568925501	/nfs/dbraw/zinc/92/55/01/568925501.db2.gz	KTISUMUOKZYGQQ-CQSZACIVSA-N	0	1	422.389	3.237	50	70	biogenic	HGIAMN
Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)cn1	ZINC000217871370	568916936	/nfs/dbraw/zinc/91/69/36/568916936.db2.gz	VLQPPEJFZRJGAU-AWEZNQCLSA-N	0	1	404.378	3.046	50	70	biogenic	HGIAMN
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1O	ZINC000217913797	568919640	/nfs/dbraw/zinc/91/96/40/568919640.db2.gz	XLIGJQREVYPGDE-LBPRGKRZSA-N	0	1	410.378	3.165	50	70	biogenic	HGIAMN
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1	ZINC000218043864	568924801	/nfs/dbraw/zinc/92/48/01/568924801.db2.gz	UZLGKQJHJWWPCE-CQSZACIVSA-N	0	1	424.405	3.468	50	70	biogenic	HGIAMN
CC(C)c1nc2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(O)cc4)C3)cc2[nH]1	ZINC000217779819	568911602	/nfs/dbraw/zinc/91/16/02/568911602.db2.gz	ANCLRUHJVJWCSU-INIZCTEOSA-N	0	1	406.486	3.422	50	70	biogenic	HGIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc2c(c1)OCCO2	ZINC000218126732	568926386	/nfs/dbraw/zinc/92/63/86/568926386.db2.gz	ARUNWUBYLCCPTP-ZDUSSCGKSA-N	0	1	422.389	3.222	50	70	biogenic	HGIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc2c(c1)OCO2	ZINC000218003030	568922621	/nfs/dbraw/zinc/92/26/21/568922621.db2.gz	JMWFBLNOMJGIIY-LBPRGKRZSA-N	0	1	408.362	3.179	50	70	biogenic	HGIAMN
COc1cn(CC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)c(C)cc1=O	ZINC000218221027	568476476	/nfs/dbraw/zinc/47/64/76/568476476.db2.gz	QXGGUOGNLRVTDB-UHFFFAOYSA-N	0	1	416.481	3.466	50	70		HGIAMN
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	ZINC000217925159	568919936	/nfs/dbraw/zinc/91/99/36/568919936.db2.gz	NIUNGLZRBXXNHI-CYBMUJFWSA-N	0	1	424.405	3.468	50	70	biogenic	HGIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc2c(c1)OCCO2	ZINC000218126820	568926303	/nfs/dbraw/zinc/92/63/03/568926303.db2.gz	ARUNWUBYLCCPTP-CYBMUJFWSA-N	0	1	422.389	3.222	50	70	biogenic	HGIAMN
COc1ccc(CCc2nc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)cc1OC	ZINC000218305408	568478132	/nfs/dbraw/zinc/47/81/32/568478132.db2.gz	RQRXUUPTJDIHDZ-UHFFFAOYSA-N	0	1	405.458	3.270	50	70		HGIAMN
COc1ccc(CCc2n[nH]c(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1OC	ZINC000218305408	568478134	/nfs/dbraw/zinc/47/81/34/568478134.db2.gz	RQRXUUPTJDIHDZ-UHFFFAOYSA-N	0	1	405.458	3.270	50	70		HGIAMN
Cn1nccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c21	ZINC000217649786	568901681	/nfs/dbraw/zinc/90/16/81/568901681.db2.gz	ZTPUNKYCEWNKSN-ZDUSSCGKSA-N	0	1	404.378	3.046	50	70	biogenic	HGIAMN
CC(C)n1nnc(-c2ccc(C(=O)Nc3n[nH]c(CCc4ccccc4)n3)cc2)n1	ZINC000218563665	568481786	/nfs/dbraw/zinc/48/17/86/568481786.db2.gz	KJOSUBPYFGDBSO-UHFFFAOYSA-N	0	1	402.462	3.077	50	70		HGIAMN
CC(C)n1nnc(-c2ccc(C(=O)Nc3nc(CCc4ccccc4)n[nH]3)cc2)n1	ZINC000218563665	568481788	/nfs/dbraw/zinc/48/17/88/568481788.db2.gz	KJOSUBPYFGDBSO-UHFFFAOYSA-N	0	1	402.462	3.077	50	70		HGIAMN
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	ZINC000217925062	568919927	/nfs/dbraw/zinc/91/99/27/568919927.db2.gz	NIUNGLZRBXXNHI-ZDUSSCGKSA-N	0	1	424.405	3.468	50	70	biogenic	HGIAMN
CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccccn4)n[nH]3)cc2c1=O	ZINC000218483351	568481031	/nfs/dbraw/zinc/48/10/31/568481031.db2.gz	TWJIQPFLYAHAPD-UHFFFAOYSA-N	0	1	402.458	3.480	50	70		HGIAMN
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1	ZINC000218043789	568924739	/nfs/dbraw/zinc/92/47/39/568924739.db2.gz	UZLGKQJHJWWPCE-AWEZNQCLSA-N	0	1	424.405	3.468	50	70	biogenic	HGIAMN
O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1	ZINC000218243047	568928689	/nfs/dbraw/zinc/92/86/89/568928689.db2.gz	SULCLMKLMRTURV-UHFFFAOYSA-N	0	1	405.398	3.009	50	70		HGIAMN
COc1ccccc1-n1cc(C(=O)Nc2nc(C(C)C)n[nH]2)c2ccccc2c1=O	ZINC000218233570	568476744	/nfs/dbraw/zinc/47/67/44/568476744.db2.gz	OFFBDTCKHDQBIL-UHFFFAOYSA-N	0	1	403.442	3.493	50	70		HGIAMN
COc1ccccc1-n1cc(C(=O)Nc2n[nH]c(C(C)C)n2)c2ccccc2c1=O	ZINC000218233570	568476745	/nfs/dbraw/zinc/47/67/45/568476745.db2.gz	OFFBDTCKHDQBIL-UHFFFAOYSA-N	0	1	403.442	3.493	50	70		HGIAMN
CC(C)c1nc2ccc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(O)cc4)C3)cc2[nH]1	ZINC000217779731	568911487	/nfs/dbraw/zinc/91/14/87/568911487.db2.gz	ANCLRUHJVJWCSU-MRXNPFEDSA-N	0	1	406.486	3.422	50	70	biogenic	HGIAMN
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1O	ZINC000218089103	568925372	/nfs/dbraw/zinc/92/53/72/568925372.db2.gz	HXQNIRXYYDFRHW-LBPRGKRZSA-N	0	1	410.378	3.165	50	70	biogenic	HGIAMN
Cn1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)cn1	ZINC000217871430	568916800	/nfs/dbraw/zinc/91/68/00/568916800.db2.gz	VLQPPEJFZRJGAU-CQSZACIVSA-N	0	1	404.378	3.046	50	70	biogenic	HGIAMN
CN(C)CCN(C(=O)c1ncccn1)c1nc2ccc(OC(F)(F)F)cc2s1	ZINC000217462114	568882005	/nfs/dbraw/zinc/88/20/05/568882005.db2.gz	NSQZRVGEMYRTHI-UHFFFAOYSA-N	0	1	411.409	3.193	50	70		HGIAMN
COC(=O)c1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	ZINC000218092570	568925617	/nfs/dbraw/zinc/92/56/17/568925617.db2.gz	KTISUMUOKZYGQQ-AWEZNQCLSA-N	0	1	422.389	3.237	50	70	biogenic	HGIAMN