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-])Cn1c(CCCC[C@@H]2Nc3ccccc3N2CC(=O)[O-])[nH+]c2ccccc21	ZINC000082086760	559036821	/nfs/dbraw/zinc/03/68/21/559036821.db2.gz	KNPJDMMWBAKOJL-LJQANCHMSA-N	-1	2	408.458	3.177	40	0		HGABLM
O=C([O-])c1ccc(Cl)c(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)c1	ZINC000028630525	569350329	/nfs/dbraw/zinc/35/03/29/569350329.db2.gz	PBCROWHKXJEEEU-GORDUTHDSA-N	-1	2	403.734	3.166	40	0		HGABLM
CC[C@@](C)(CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000001670886	557279752	/nfs/dbraw/zinc/27/97/52/557279752.db2.gz	KQYLNLYUSFQJQN-QGZVFWFLSA-N	-1	2	411.505	3.164	40	0		HGABLM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000100763577	560726252	/nfs/dbraw/zinc/72/62/52/560726252.db2.gz	RQVGNTTVCVTBNI-TXEJJXNPSA-N	-1	2	407.850	3.010	40	0		HGABLM
C[N@H+]1CC[C@H](c2c(=O)cc(O)c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@@H](O)C1	ZINC000018825328	568741474	/nfs/dbraw/zinc/74/14/74/568741474.db2.gz	BIIVYFLTOXDAOV-SJCJKPOMSA-N	-1	2	401.846	3.305	40	0		HGABLM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])CC1	ZINC000217465686	568472139	/nfs/dbraw/zinc/47/21/39/568472139.db2.gz	HZVGPXGUCCXZIQ-JOCQHMNTSA-N	-1	2	421.877	3.400	40	0		HGABLM
O=C([O-])c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	ZINC000013678137	558565088	/nfs/dbraw/zinc/56/50/88/558565088.db2.gz	DLSFUHIOSLORLR-UHFFFAOYSA-N	-1	2	402.453	3.499	40	0		HGABLM
Cc1cc(S(=O)(=O)[O-])c(NC(=O)c2oc3cc(O)ccc3c(=O)c2C)cc1Cl	ZINC000001631442	557277503	/nfs/dbraw/zinc/27/75/03/557277503.db2.gz	CEQYEVNGXMVCSE-UHFFFAOYSA-N	-1	2	423.830	3.268	40	0		HGABLM
O=C([O-])Cn1c(CCCC[C@H]2Nc3ccccc3N2CC(=O)[O-])[nH+]c2ccccc21	ZINC000082086763	559036826	/nfs/dbraw/zinc/03/68/26/559036826.db2.gz	KNPJDMMWBAKOJL-IBGZPJMESA-N	-1	2	408.458	3.177	40	0		HGABLM
CCc1nnc(C2=C(O)C(=Cc3ccc(OCCC(=O)[O-])cc3)SC2=N)s1	ZINC000137249847	559291280	/nfs/dbraw/zinc/29/12/80/559291280.db2.gz	MJZPBEFJAUFLMJ-MJSFNCRCSA-N	-1	2	403.485	3.372	40	0		HGABLM
COC(=O)c1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2s1	ZINC000223370609	568546654	/nfs/dbraw/zinc/54/66/54/568546654.db2.gz	FRDZFSVIIJGJBZ-UHFFFAOYSA-N	-1	2	409.416	3.326	40	0		HGABLM
CC[C@](C)(CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000005420205	557652854	/nfs/dbraw/zinc/65/28/54/557652854.db2.gz	KQYLNLYUSFQJQN-KRWDZBQOSA-N	-1	2	411.505	3.164	40	0		HGABLM