smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](O)[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000064859097	205307875	/nfs/dbraw/zinc/30/78/75/205307875.db2.gz	GEMOZTVMAMNAON-HCVQIDSRSA-N	-2	0	364.482	4.498	40	0	in-vitro	FIABRL
O=[P@@]([O-])(Oc1ccccc1)O[P@@](=O)([O-])Oc1ccc(Cl)cc1	ZINC000005604116	204216869	/nfs/dbraw/zinc/21/68/69/204216869.db2.gz	MNMUNHJHIBQLAY-UHFFFAOYSA-N	-2	0	364.614	4.015	40	0		FIABRL
O=C([O-])CSc1ccc(Sc2ccc(SCC(=O)[O-])cc2)cc1	ZINC000002017824	570643747	/nfs/dbraw/zinc/64/37/47/570643747.db2.gz	CELOCCDLURUCOU-UHFFFAOYSA-N	-2	0	366.485	4.191	40	0		FIABRL
CCCCC/C=C\C/C=C/C=C/C=C/[C@H](O)[C@@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000064859085	571141142	/nfs/dbraw/zinc/14/11/42/571141142.db2.gz	GEMOZTVMAMNAON-VNAYJWANSA-N	-2	0	364.482	4.498	40	0	in-vitro	FIABRL
CCCCC/C=C\C/C=C/C=C/C=C/[C@H](O)[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000064859093	571141308	/nfs/dbraw/zinc/14/13/08/571141308.db2.gz	GEMOZTVMAMNAON-SDIGZOIZSA-N	-2	0	364.482	4.498	40	0	in-vitro	FIABRL
CCSCCC[C@@H](CC[C@H](CCCSCC)C(=O)[O-])C(=O)[O-]	ZINC000004721553	207042345	/nfs/dbraw/zinc/04/23/45/207042345.db2.gz	XKHASJBJOUTTIS-KBPBESRZSA-N	-2	0	350.546	4.235	40	0		FIABRL
C[C@@]12c3ccccc3[C@@](C)(c3c4ccccc4ccc31)[C@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000004803665	207050023	/nfs/dbraw/zinc/05/00/23/207050023.db2.gz	HVVHKPSSUDYJIU-JDBUVZGPSA-N	-2	0	372.420	4.180	40	0		FIABRL
Cc1ccc(-c2nc(Nc3ccc(C(=O)[O-])cc3)sc2CC(=O)[O-])cc1	ZINC000408897676	570696415	/nfs/dbraw/zinc/69/64/15/570696415.db2.gz	ZIUXQFZUVFUGPW-UHFFFAOYSA-N	-2	0	368.414	4.187	40	0		FIABRL
CCSc1c(-c2ccccc2)nc2c(C(=O)[O-])cccc2c1C(=O)[O-]	ZINC000005673878	207111976	/nfs/dbraw/zinc/11/19/76/207111976.db2.gz	YAHAVISFZRHLAU-UHFFFAOYSA-N	-2	0	353.399	4.410	40	0		FIABRL
CCSCCC[C@@H](CC[C@@H](CCCSCC)C(=O)[O-])C(=O)[O-]	ZINC000017312912	570871862	/nfs/dbraw/zinc/87/18/62/570871862.db2.gz	XKHASJBJOUTTIS-OKILXGFUSA-N	-2	0	350.546	4.235	40	0		FIABRL
O=C([O-])c1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(C(=O)[O-])c1	ZINC000011565701	570703607	/nfs/dbraw/zinc/70/36/07/570703607.db2.gz	BUIFAALVZAGVEN-UHFFFAOYSA-N	-2	0	361.353	4.002	40	0		FIABRL
CCSCCC[C@H](CC[C@@H](CCCSCC)C(=O)[O-])C(=O)[O-]	ZINC000004721552	210557013	/nfs/dbraw/zinc/55/70/13/210557013.db2.gz	XKHASJBJOUTTIS-ZIAGYGMSSA-N	-2	0	350.546	4.235	40	0		FIABRL
CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](O)[C@@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000064859088	212046274	/nfs/dbraw/zinc/04/62/74/212046274.db2.gz	GEMOZTVMAMNAON-SCCOBQJYSA-N	-2	0	364.482	4.498	40	0	in-vitro	FIABRL
Cc1oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2c1C(=O)[O-]	ZINC000011615815	210102791	/nfs/dbraw/zinc/10/27/91/210102791.db2.gz	JRKFGLQGCXJIMT-UHFFFAOYSA-N	-2	0	373.430	4.165	40	0		FIABRL
CCN(c1ccc(C(=O)c2ccccc2C(=O)[O-])c([O-])c1)C1CCCCC1	ZINC000059330881	212014685	/nfs/dbraw/zinc/01/46/85/212014685.db2.gz	OBBYOXZSJMFFEX-UHFFFAOYSA-N	-2	0	367.445	4.480	40	0		FIABRL
CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000226860869	571342437	/nfs/dbraw/zinc/34/24/37/571342437.db2.gz	GNPDFCJCIFDANO-UHFFFAOYSA-N	-2	0	367.854	4.182	40	0		FIABRL
O=C([O-])c1ccc(Cl)c2ccc(C(=O)c3ccccc3)c(C(=O)[O-])c12	ZINC000001723073	219417040	/nfs/dbraw/zinc/41/70/40/219417040.db2.gz	DFALXQVCTBMFNX-UHFFFAOYSA-N	-2	0	354.745	4.121	40	0		FIABRL
C[C@@]12c3ccccc3[C@@](C)(c3ccc4ccccc4c31)[C@@H](C(=O)[O-])[C@H]2C(=O)[O-]	ZINC000004803667	570607150	/nfs/dbraw/zinc/60/71/50/570607150.db2.gz	HVVHKPSSUDYJIU-CDPNLFKUSA-N	-2	0	372.420	4.180	40	0		FIABRL
CN(c1ccc(C(=O)c2ccccc2C(=O)[O-])c([O-])c1)C1CCCCC1	ZINC000034295849	571068427	/nfs/dbraw/zinc/06/84/27/571068427.db2.gz	FWODRSKQJPKFDI-UHFFFAOYSA-N	-2	0	353.418	4.090	40	0		FIABRL
O=C([O-])c1ccccc1C(=O)c1ccc(NCC2CCCCC2)cc1[O-]	ZINC000071618419	221352875	/nfs/dbraw/zinc/35/28/75/221352875.db2.gz	MRYDXJOKANTBOB-UHFFFAOYSA-N	-2	0	353.418	4.314	40	0		FIABRL
O=C([O-])Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(F)cc1	ZINC000408888356	263503889	/nfs/dbraw/zinc/50/38/89/263503889.db2.gz	UQURBUKKDIKVPF-UHFFFAOYSA-N	-2	0	372.377	4.018	40	0		FIABRL