smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](NC(=O)Cc1ccccc1)[C@H](O)c1ccc(/N=C\c2ccccc2[O-])cc1	ZINC000016478596	560860959	/nfs/dbraw/zinc/86/09/59/560860959.db2.gz	YHIUHAZYYVUUBO-NTCDWBGLSA-N	-2	3	418.449	2.988	40	30		HFEBHL
Cc1ncc(CO)c(/C=N\CCCCCC/N=C\c2c([O-])c(C)ncc2CO)c1[O-]	ZINC000013704036	558575176	/nfs/dbraw/zinc/57/51/76/558575176.db2.gz	SNWKSXOYLZEWPI-CBSQCECLSA-N	-2	3	414.506	2.588	40	30		HFEBHL
O=C([O-])[C@@H](NC(=O)Cc1ccccc1)[C@@H](O)c1ccc(/N=C\c2ccccc2[O-])cc1	ZINC000016478605	527651588	/nfs/dbraw/zinc/65/15/88/527651588.db2.gz	YHIUHAZYYVUUBO-FZXKNJBPSA-N	-2	3	418.449	2.988	40	30		HFEBHL
CCc1n[n-]c(=S)n1N=Cc1cc(I)c([O-])c(OC)c1	ZINC000045925710	560861606	/nfs/dbraw/zinc/86/16/06/560861606.db2.gz	HZBHMBRLGRKBRV-MKMNVTDBSA-N	-2	3	404.233	2.704	40	30		HFEBHL
O=C([O-])[C@H](NC(=O)Cc1ccccc1)[C@@H](O)c1ccc(/N=C\c2ccccc2[O-])cc1	ZINC000016478599	526308583	/nfs/dbraw/zinc/30/85/83/526308583.db2.gz	YHIUHAZYYVUUBO-RDCFJGSHSA-N	-2	3	418.449	2.988	40	30		HFEBHL
Cc1ncc(CO)c(/C=N/CCCCCC/N=C/c2c([O-])c(C)ncc2CO)c1[O-]	ZINC000102832962	559153128	/nfs/dbraw/zinc/15/31/28/559153128.db2.gz	SNWKSXOYLZEWPI-ASIDMNOUSA-N	-2	3	414.506	2.588	40	30		HFEBHL
Cc1ncc(CO)c(/C=N/CCCCCC/N=C\c2c([O-])c(C)ncc2CO)c1[O-]	ZINC000104243244	559159433	/nfs/dbraw/zinc/15/94/33/559159433.db2.gz	SNWKSXOYLZEWPI-QEUMEHMPSA-N	-2	3	414.506	2.588	40	30		HFEBHL
O=C([O-])[C@@H](NC(=O)Cc1ccc(/N=C/c2ccccc2[O-])cc1)[C@@H](O)c1ccccc1	ZINC000003172750	568476610	/nfs/dbraw/zinc/47/66/10/568476610.db2.gz	JYZFIZWUQUAQIB-FLFXYHILSA-N	-2	3	418.449	2.988	40	30		HFEBHL
O=C([O-])[C@@H](NC(=O)Cc1ccc(/N=C/c2ccccc2[O-])cc1)[C@H](O)c1ccccc1	ZINC000005666718	557667476	/nfs/dbraw/zinc/66/74/76/557667476.db2.gz	JYZFIZWUQUAQIB-FYPJQRNGSA-N	-2	3	418.449	2.988	40	30		HFEBHL
O=C([O-])[C@H](NC(=O)Cc1ccc(/N=C/c2ccccc2[O-])cc1)[C@H](O)c1ccccc1	ZINC000005666731	557667449	/nfs/dbraw/zinc/66/74/49/557667449.db2.gz	JYZFIZWUQUAQIB-JPDUQLBUSA-N	-2	3	418.449	2.988	40	30		HFEBHL
O=C([O-])[C@@H](NC(=O)Cc1ccccc1)[C@H](O)c1ccc(/N=C\c2ccccc2[O-])cc1	ZINC000016478602	558793813	/nfs/dbraw/zinc/79/38/13/558793813.db2.gz	YHIUHAZYYVUUBO-VUNVKCIYSA-N	-2	3	418.449	2.988	40	30		HFEBHL
COC(=O)c1ccccc1C1=C([O-])C([O-])=C(c2ccccc2C(=O)OC)C(=O)C1=O	ZINC000104181708	559158759	/nfs/dbraw/zinc/15/87/59/559158759.db2.gz	NKTWMNPYKQOAMM-UHFFFAOYSA-N	-2	3	408.362	2.650	40	30		HFEBHL
C=CCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2[O-])C(=O)[N-]C1=S	ZINC000230830465	569363368	/nfs/dbraw/zinc/36/33/68/569363368.db2.gz	OSZZCRBEWGRMIF-WEVVVXLNSA-N	-2	3	401.669	2.621	40	30		HFEBHL