smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)c([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	ZINC000217800567	569881562	/nfs/dbraw/zinc/88/15/62/569881562.db2.gz	GITVKERNERUSQC-CYBMUJFWSA-N	0	1	454.431	3.476	50	70		JGIAMN
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1OC(C)=O	ZINC000217949623	569882207	/nfs/dbraw/zinc/88/22/07/569882207.db2.gz	KTLUNNJYNVVQAJ-CQSZACIVSA-N	0	1	482.441	3.393	50	70		JGIAMN
COc1ccc2cc([C@@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1	ZINC000217996269	569882358	/nfs/dbraw/zinc/88/23/58/569882358.db2.gz	PUXZIGGVCKFBNU-AWEZNQCLSA-N	0	1	461.426	3.301	50	70		JGIAMN
COC(=O)COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	ZINC000218051857	569882566	/nfs/dbraw/zinc/88/25/66/569882566.db2.gz	RPCRSZXPYFDMRE-AWEZNQCLSA-N	0	1	482.441	3.011	50	70		JGIAMN
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1OC	ZINC000217606558	569880520	/nfs/dbraw/zinc/88/05/20/569880520.db2.gz	HHRLGZCBWHPUOT-ZDUSSCGKSA-N	0	1	454.431	3.476	50	70		JGIAMN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc4nc[nH]c4c3)[C@@H]21	ZINC000217804244	569881655	/nfs/dbraw/zinc/88/16/55/569881655.db2.gz	AYVQIZMPPALJAJ-XMMPIXPASA-N	0	1	483.484	3.334	50	70		JGIAMN
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1cnc[nH]1	ZINC000217909488	569882082	/nfs/dbraw/zinc/88/20/82/569882082.db2.gz	LGDDFIYETKVICE-XMMPIXPASA-N	0	1	457.534	3.444	50	70		JGIAMN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000218244452	569883140	/nfs/dbraw/zinc/88/31/40/569883140.db2.gz	GPOGFPSPXGMJFZ-DEOSSOPVSA-N	0	1	456.546	3.015	50	70		JGIAMN
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)cc2c1	ZINC000217980689	569882311	/nfs/dbraw/zinc/88/23/11/569882311.db2.gz	LSEHBNRDWOXAHW-AWEZNQCLSA-N	0	1	461.426	3.301	50	70		JGIAMN
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1OC	ZINC000218039290	569882502	/nfs/dbraw/zinc/88/25/02/569882502.db2.gz	HFSQUBMBYCFHFF-CYBMUJFWSA-N	0	1	454.431	3.476	50	70		JGIAMN
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1OC	ZINC000218039202	569882527	/nfs/dbraw/zinc/88/25/27/569882527.db2.gz	HFSQUBMBYCFHFF-ZDUSSCGKSA-N	0	1	454.431	3.476	50	70		JGIAMN
COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21	ZINC000217944783	569882166	/nfs/dbraw/zinc/88/21/66/569882166.db2.gz	ZZIHZQLUUGZWIQ-AWEZNQCLSA-N	0	1	452.415	3.002	50	70		JGIAMN
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc2c1OCCO2	ZINC000217938358	569882225	/nfs/dbraw/zinc/88/22/25/569882225.db2.gz	UQZFCHAEENSVAW-CYBMUJFWSA-N	0	1	452.415	3.230	50	70		JGIAMN
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)cc2c1	ZINC000217980776	569882258	/nfs/dbraw/zinc/88/22/58/569882258.db2.gz	LSEHBNRDWOXAHW-CQSZACIVSA-N	0	1	461.426	3.301	50	70		JGIAMN
COc1ccc2cc([C@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1	ZINC000217996353	569882346	/nfs/dbraw/zinc/88/23/46/569882346.db2.gz	PUXZIGGVCKFBNU-CQSZACIVSA-N	0	1	461.426	3.301	50	70		JGIAMN
COC(=O)COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OC	ZINC000218006018	569882366	/nfs/dbraw/zinc/88/23/66/569882366.db2.gz	LVWKJAWSIYKVOA-CQSZACIVSA-N	0	1	482.441	3.011	50	70		JGIAMN
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1OC(C)=O	ZINC000217949540	569882214	/nfs/dbraw/zinc/88/22/14/569882214.db2.gz	KTLUNNJYNVVQAJ-AWEZNQCLSA-N	0	1	482.441	3.393	50	70		JGIAMN
COC(=O)COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OC	ZINC000218005934	569882344	/nfs/dbraw/zinc/88/23/44/569882344.db2.gz	LVWKJAWSIYKVOA-AWEZNQCLSA-N	0	1	482.441	3.011	50	70		JGIAMN
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc2c1OCCO2	ZINC000217938278	569882234	/nfs/dbraw/zinc/88/22/34/569882234.db2.gz	UQZFCHAEENSVAW-ZDUSSCGKSA-N	0	1	452.415	3.230	50	70		JGIAMN
COC(=O)COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	ZINC000218051923	569882603	/nfs/dbraw/zinc/88/26/03/569882603.db2.gz	RPCRSZXPYFDMRE-CQSZACIVSA-N	0	1	482.441	3.011	50	70		JGIAMN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc4nc[nH]c4c3)[C@H]21	ZINC000217804160	569881713	/nfs/dbraw/zinc/88/17/13/569881713.db2.gz	AYVQIZMPPALJAJ-DEOSSOPVSA-N	0	1	483.484	3.334	50	70		JGIAMN
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1cnc[nH]1	ZINC000217909557	569882071	/nfs/dbraw/zinc/88/20/71/569882071.db2.gz	LGDDFIYETKVICE-DEOSSOPVSA-N	0	1	457.534	3.444	50	70		JGIAMN
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1OC	ZINC000217606632	569880484	/nfs/dbraw/zinc/88/04/84/569880484.db2.gz	HHRLGZCBWHPUOT-CYBMUJFWSA-N	0	1	454.431	3.476	50	70		JGIAMN
COc1cc(OC)c([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	ZINC000217800483	569881581	/nfs/dbraw/zinc/88/15/81/569881581.db2.gz	GITVKERNERUSQC-ZDUSSCGKSA-N	0	1	454.431	3.476	50	70		JGIAMN
CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000217618525	569880595	/nfs/dbraw/zinc/88/05/95/569880595.db2.gz	WVBGGEIQWSZQEL-CDSYHYPYSA-N	0	1	469.994	3.038	50	70		JGIAMN
COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21	ZINC000217944858	569882173	/nfs/dbraw/zinc/88/21/73/569882173.db2.gz	ZZIHZQLUUGZWIQ-CQSZACIVSA-N	0	1	452.415	3.002	50	70		JGIAMN