smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc2[nH]cccc-2c(O)c1[C@H](c1ccc2c(c1)OCO2)c1c(=O)[nH]c2ncccc2c1[O-]	ZINC000016430844	527468871	/nfs/dbraw/zinc/46/88/71/527468871.db2.gz	DNPNCLVGCVXSQE-UHFFFAOYSA-N	-1	2	456.414	2.892	40	0		JFABLM
O=c1nc2[nH]cccc-2c(O)c1[C@@H](c1ccc2c(c1)OCO2)c1c(=O)[nH]c2ncccc2c1[O-]	ZINC000016430844	527468882	/nfs/dbraw/zinc/46/88/82/527468882.db2.gz	DNPNCLVGCVXSQE-UHFFFAOYSA-N	-1	2	456.414	2.892	40	0		JFABLM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C(=O)[O-])[C@@H]1[NH2+][C@@H](C(=O)[O-])C(C)(C)S1	ZINC000077292630	569705675	/nfs/dbraw/zinc/70/56/75/569705675.db2.gz	OYRPOONYKNQRKD-IJEWVQPXSA-N	-1	2	471.894	2.520	40	0	in-vitro	JFABLM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@H](C(=O)NCCCC(=O)[O-])CC1	ZINC000101370694	569794515	/nfs/dbraw/zinc/79/45/15/569794515.db2.gz	ZHYDXJXXUKRVDA-GASCZTMLSA-N	-1	2	492.956	2.907	40	0		JFABLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000015225847	555886952	/nfs/dbraw/zinc/88/69/52/555886952.db2.gz	NZQCIPJDJBNVEG-RIYZIHGNSA-N	-1	2	489.278	2.896	40	0		JFABLM
CC(/C=N/N=C1/S[C@@H](CC(=O)NCC(=O)[O-])C(=O)N1Cc1ccco1)=C/c1ccccc1	ZINC000255960460	570106522	/nfs/dbraw/zinc/10/65/22/570106522.db2.gz	DLZGYZUAZLZQDD-AWIAJEHPSA-N	-1	2	454.508	2.760	40	0		JFABLM
CC(/C=N/N=C1/SC(CC(=O)NCC(=O)[O-])C(=O)N1Cc1ccco1)=C/c1ccccc1	ZINC000255960460	570106523	/nfs/dbraw/zinc/10/65/23/570106523.db2.gz	DLZGYZUAZLZQDD-AWIAJEHPSA-N	-1	2	454.508	2.760	40	0		JFABLM
CC(/C=N/N=C1/S[C@H](CC(=O)NCC(=O)[O-])C(=O)N1Cc1ccco1)=C/c1ccccc1	ZINC000255960461	570106542	/nfs/dbraw/zinc/10/65/42/570106542.db2.gz	DLZGYZUAZLZQDD-VJAUOWFWSA-N	-1	2	454.508	2.760	40	0		JFABLM
CC(/C=N/N=C1/SC(CC(=O)NCC(=O)[O-])C(=O)N1Cc1ccco1)=C/c1ccccc1	ZINC000255960461	570106543	/nfs/dbraw/zinc/10/65/43/570106543.db2.gz	DLZGYZUAZLZQDD-VJAUOWFWSA-N	-1	2	454.508	2.760	40	0		JFABLM