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-])c1ccc(C(=O)[O-])c2nc(/C=C/c3ccccc3Cl)ccc12	ZINC000028957902	204893124	/nfs/dbraw/zinc/89/31/24/204893124.db2.gz	TZQDNKDKNBHXPV-AATRIKPKSA-N	-2	0	353.761	4.455	1	0		FIAFRL
O=C([O-])c1ccc(-c2nc3cc(C(=O)[O-])ccc3n2C2CCCCC2)o1	ZINC000028106783	204874264	/nfs/dbraw/zinc/87/42/64/204874264.db2.gz	JWCWFMUXQOIBOD-UHFFFAOYSA-N	-2	0	354.362	4.198	1	0		FIAFRL
O=C([O-])/C(=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12)c1ccco1	ZINC000001890594	204022894	/nfs/dbraw/zinc/02/28/94/204022894.db2.gz	GHAGAHXHDKXFIL-SOFGYWHQSA-N	-2	0	366.156	4.391	1	0		FIAFRL
CCc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)C(C(=O)[O-])C(=O)[O-])cc1	ZINC000095577415	209082618	/nfs/dbraw/zinc/08/26/18/209082618.db2.gz	QGPSHGKDTUMNAB-MRXNPFEDSA-N	-2	0	374.820	4.044	1	0		FIAFRL
C[C@@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1-c1ccc(C(=O)[O-])cc1	ZINC000072105082	221405773	/nfs/dbraw/zinc/40/57/73/221405773.db2.gz	HOSOJXYMCLYNNI-DYVFJYSZSA-N	-2	0	366.413	4.152	1	0		FIAFRL
COC[P@](=O)([O-])[C@@H](CCC/C=C(\C)CCC=C(C)C)[P@@](=O)([O-])O	ZINC000013742096	211056910	/nfs/dbraw/zinc/05/69/10/211056910.db2.gz	CAOYIFBVILXMOX-AAWPKVBNSA-N	-2	0	368.347	4.228	1	0		FIAFRL
Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)[O-])c(C(=O)[O-])c21	ZINC000036350468	211662309	/nfs/dbraw/zinc/66/23/09/211662309.db2.gz	RFYDSALXXRYYFC-UHFFFAOYSA-N	-2	0	353.374	4.492	1	0		FIAFRL
O=C([O-])/C(=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12)c1ccoc1	ZINC000001890596	210373299	/nfs/dbraw/zinc/37/32/99/210373299.db2.gz	MSFUZAMPTKIWRH-WEVVVXLNSA-N	-2	0	366.156	4.391	1	0		FIAFRL
CC(C)Cc1sc(-c2ccccc2)nc1-c1ccc(P(=O)([O-])[O-])o1	ZINC000066112020	221242012	/nfs/dbraw/zinc/24/20/12/221242012.db2.gz	XDMLNJVXGLKUEC-UHFFFAOYSA-N	-2	0	363.375	4.072	1	0		FIAFRL
Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])sc1-c1ccccc1	ZINC000013589567	220077257	/nfs/dbraw/zinc/07/72/57/220077257.db2.gz	AGFCJQHTXPTLBM-UHFFFAOYSA-N	-2	0	373.455	4.223	1	0		FIAFRL
COC[P@](=O)([O-])[C@H](CCC/C=C(\C)CCC=C(C)C)[P@@](=O)([O-])O	ZINC000013742098	220092676	/nfs/dbraw/zinc/09/26/76/220092676.db2.gz	CAOYIFBVILXMOX-HNRFISLBSA-N	-2	0	368.347	4.228	1	0		FIAFRL
O=C([O-])c1c2ccccc2n(Cc2ccc(Cl)c(Cl)c2)c1C(=O)[O-]	ZINC000013588901	220077069	/nfs/dbraw/zinc/07/70/69/220077069.db2.gz	OKRVKTSEZMPOFP-UHFFFAOYSA-N	-2	0	364.184	4.393	1	0		FIAFRL
Cc1ccccc1S(=O)(=O)[N-]c1sc(-c2ccccc2)cc1C(=O)[O-]	ZINC000013589566	220077201	/nfs/dbraw/zinc/07/72/01/220077201.db2.gz	KWYHVHVYBREZJX-UHFFFAOYSA-N	-2	0	373.455	4.223	1	0		FIAFRL
C[P@](=O)([O-])[C@@H](CCCc1ccc(-c2ccccc2)cc1)[P@@](=O)([O-])O	ZINC000013742076	220092100	/nfs/dbraw/zinc/09/21/00/220092100.db2.gz	VGENPYWOFIUGGK-QGZVFWFLSA-N	-2	0	368.306	4.080	1	0		FIAFRL
CC(C)Cc1sc(-c2cccs2)nc1-c1ccc(P(=O)([O-])[O-])o1	ZINC000066112021	221241990	/nfs/dbraw/zinc/24/19/90/221241990.db2.gz	PLWOWHGZXIBBOZ-UHFFFAOYSA-N	-2	0	369.404	4.133	1	0		FIAFRL