smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1oc(C(=O)[O-])cc1CSCc1oc(-c2ccccc2)cc1C(=O)[O-]	ZINC000005074078	204190990	/nfs/dbraw/zinc/19/09/90/204190990.db2.gz	FHJGCKGHMSENKK-UHFFFAOYSA-N	-2	0	372.398	4.678	40	0		FJABRL
O=C([O-])c1ccc(Oc2ccc(Oc3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000000188555	206222579	/nfs/dbraw/zinc/22/25/79/206222579.db2.gz	QVLMBWTVLGOLHI-UHFFFAOYSA-N	-2	0	350.326	4.668	40	0		FJABRL
C[C@]12CCC[C@H]1[C@@H]1CC[C@H](CCC(=O)[O-])[C@@](C)(CCC(=O)[O-])[C@@H]1CC2	ZINC000003843609	570568304	/nfs/dbraw/zinc/56/83/04/570568304.db2.gz	UJKJBNDDMOKPEE-LPCQMJKOSA-N	-2	0	350.499	4.965	40	0		FJABRL
C[C@@H](SCCCCCCCCCCS[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000005519584	570629309	/nfs/dbraw/zinc/62/93/09/570629309.db2.gz	MBVHGSSDZDDVJS-ZIAGYGMSSA-N	-2	0	350.546	4.520	40	0		FJABRL
C[C@@H](SCCCCCCCCCCS[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000017140546	211180741	/nfs/dbraw/zinc/18/07/41/211180741.db2.gz	MBVHGSSDZDDVJS-OKILXGFUSA-N	-2	0	350.546	4.520	40	0		FJABRL
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H](CCC(=O)[O-])[C@@](C)(CCC(=O)[O-])[C@@H]1CC2	ZINC000003843608	570568359	/nfs/dbraw/zinc/56/83/59/570568359.db2.gz	UJKJBNDDMOKPEE-KQYRDANPSA-N	-2	0	350.499	4.965	40	0		FJABRL
O=C([O-])C[C@H](c1ccccc1Cl)[C@H](CC(=O)[O-])c1ccccc1Cl	ZINC000001713622	571249215	/nfs/dbraw/zinc/24/92/15/571249215.db2.gz	CFXGZHXOVDCVMZ-ZIAGYGMSSA-N	-2	0	367.228	4.810	40	0		FJABRL
O=C([O-])C[C@@H](c1ccccc1Cl)[C@@H](CC(=O)[O-])c1ccccc1Cl	ZINC000001713621	571249238	/nfs/dbraw/zinc/24/92/38/571249238.db2.gz	CFXGZHXOVDCVMZ-KBPBESRZSA-N	-2	0	367.228	4.810	40	0		FJABRL
O=C([O-])C[C@@H](c1ccc(Cl)cc1)[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000001713625	571249225	/nfs/dbraw/zinc/24/92/25/571249225.db2.gz	GUQHSNHAMGACCO-HOTGVXAUSA-N	-2	0	367.228	4.810	40	0		FJABRL
C[C@@]12CCC[C@@H]1[C@@H]1CC[C@H](CCC(=O)[O-])[C@@](C)(CCC(=O)[O-])[C@@H]1CC2	ZINC000003843606	219526717	/nfs/dbraw/zinc/52/67/17/219526717.db2.gz	UJKJBNDDMOKPEE-OWVDYMSYSA-N	-2	0	350.499	4.965	40	0		FJABRL
O=C([O-])CCCCSCCCCCCSCCCCC(=O)[O-]	ZINC000005501162	570628521	/nfs/dbraw/zinc/62/85/21/570628521.db2.gz	WRFIHGPTJCLHPL-UHFFFAOYSA-N	-2	0	350.546	4.523	40	0		FJABRL
O=C([O-])CCSCCCCCCCCCCSCCC(=O)[O-]	ZINC000005501132	571271079	/nfs/dbraw/zinc/27/10/79/571271079.db2.gz	KHLVSPIFFQSEKD-UHFFFAOYSA-N	-2	0	350.546	4.523	40	0		FJABRL
C[C@H](SCCCCCCCCCCS[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000005519572	207103815	/nfs/dbraw/zinc/10/38/15/207103815.db2.gz	MBVHGSSDZDDVJS-KBPBESRZSA-N	-2	0	350.546	4.520	40	0		FJABRL
O=C([O-])C[C@H](c1ccc(Cl)cc1)[C@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000001713626	571249182	/nfs/dbraw/zinc/24/91/82/571249182.db2.gz	GUQHSNHAMGACCO-HZPDHXFCSA-N	-2	0	367.228	4.810	40	0		FJABRL
S=C([S-])[N-]c1ccc(Cc2ccc([N-]C(=S)[S-])cc2)cc1	ZINC000006535792	570648712	/nfs/dbraw/zinc/64/87/12/570648712.db2.gz	CMEAOZUYQANITJ-UHFFFAOYSA-N	-4	0	350.559	4.531	40	0		FJABRL
O=C([O-])C[C@@H](c1ccccc1Cl)[C@H](CC(=O)[O-])c1ccccc1Cl	ZINC000001713620	571249205	/nfs/dbraw/zinc/24/92/05/571249205.db2.gz	CFXGZHXOVDCVMZ-OKILXGFUSA-N	-2	0	367.228	4.810	40	0		FJABRL
Cc1oc(C)c(C(=O)[O-])c1CSCc1cc(C(=O)[O-])oc1C(C)(C)C	ZINC000006920977	207178524	/nfs/dbraw/zinc/17/85/24/207178524.db2.gz	GHEMXWTVKVLUHW-UHFFFAOYSA-N	-2	0	366.435	4.617	40	0		FJABRL
O=C([O-])C[C@@H](c1ccc(Cl)cc1)[C@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000001713624	571249193	/nfs/dbraw/zinc/24/91/93/571249193.db2.gz	GUQHSNHAMGACCO-IYBDPMFKSA-N	-2	0	367.228	4.810	40	0		FJABRL