smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C(=O)[O-])c1c[nH+]c(N2CC[C@@H](CC(=O)[O-])C2)nc1N1CCOCC1	ZINC000096161969	136184701	/nfs/dbraw/zinc/18/47/01/136184701.db2.gz	MZSAXBHISPRTQG-LBPRGKRZSA-N	-1	2	378.429	0.976	50	0		GCAALM
CC(C)(C(=O)[O-])c1c[nH+]c(N2CCC(C(=O)[O-])CC2)nc1N1CCOCC1	ZINC000096150020	136184478	/nfs/dbraw/zinc/18/44/78/136184478.db2.gz	IWWXOGRKAFSKLD-UHFFFAOYSA-N	-1	2	378.429	0.976	50	0		GCAALM
O=C([O-])CC[N@@H+]1CCN(Cc2ccc(C(=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000091381308	571005353	/nfs/dbraw/zinc/00/53/53/571005353.db2.gz	IVJOYJDPIPOYAL-CABCVRRESA-N	-1	2	382.438	0.143	50	0		GCAALM
O=C([O-])CC[N@H+]1CCN(Cc2ccc(C(=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000091381308	571005354	/nfs/dbraw/zinc/00/53/54/571005354.db2.gz	IVJOYJDPIPOYAL-CABCVRRESA-N	-1	2	382.438	0.143	50	0		GCAALM
CC(C)[C@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000004545849	204052431	/nfs/dbraw/zinc/05/24/31/204052431.db2.gz	FVGOGEGGQLNZGH-FMKPAKJESA-N	-1	2	393.440	0.131	50	0		GCAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)NCC(=O)NCC(=O)[O-]	ZINC000002109729	570949786	/nfs/dbraw/zinc/94/97/86/570949786.db2.gz	SSZVGMXOKPZNCV-UHFFFAOYSA-N	-1	2	396.783	0.710	50	0	biogenic	GCAALM
CC(C)(C(=O)[O-])c1c[nH+]c(N2CCC[C@H](C(=O)[O-])C2)nc1N1CCOCC1	ZINC000096161544	136184710	/nfs/dbraw/zinc/18/47/10/136184710.db2.gz	SGNLQGGKRVDUNB-LBPRGKRZSA-N	-1	2	378.429	0.976	50	0		GCAALM
CC(C)(C(=O)[O-])c1c[nH+]c(N2CCC[C@@H](C(=O)[O-])C2)nc1N1CCOCC1	ZINC000096161546	136184750	/nfs/dbraw/zinc/18/47/50/136184750.db2.gz	SGNLQGGKRVDUNB-GFCCVEGCSA-N	-1	2	378.429	0.976	50	0		GCAALM
Cc1cc2ncc(C(=O)N3CCCn4nc(CCC(=O)[O-])cc4C3)c(=O)n2[nH]1	ZINC000102739601	570256640	/nfs/dbraw/zinc/25/66/40/570256640.db2.gz	DIQPKOQZYWYSCJ-UHFFFAOYSA-N	-1	2	384.396	0.591	50	0		GCAALM
Cn1c(=O)n(C)c(-c2c(O)n(C)c(=O)n(C)c2=O)c1-c1ccc(C(=O)[O-])cc1	ZINC000604419770	570363661	/nfs/dbraw/zinc/36/36/61/570363661.db2.gz	YSYLLCSPNDZVOV-UHFFFAOYSA-N	-1	2	386.364	0.223	50	0		GCAALM
Cn1nnc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)n1	ZINC000127108371	530289955	/nfs/dbraw/zinc/28/99/55/530289955.db2.gz	ASYKLROCSLXJJF-UHFFFAOYSA-N	-1	2	380.155	0.611	50	0		GCAALM
Cc1c(Br)cc(S(=O)(=O)Nc2nnn(C)n2)cc1C(=O)[O-]	ZINC000127105394	530289883	/nfs/dbraw/zinc/28/98/83/530289883.db2.gz	PZGZJUZATGYUAB-UHFFFAOYSA-N	-1	2	376.192	0.780	50	0		GCAALM
CC(C)(C(=O)[O-])c1c[nH+]c(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc1N1CCOCC1	ZINC000102003378	136189833	/nfs/dbraw/zinc/18/98/33/136189833.db2.gz	DGMFWNNPTKDOEW-PJXYFTJBSA-N	-1	2	376.413	0.442	50	0		GCAALM
CC(C)(C(=O)[O-])c1c[nH+]c(N2CC[C@H](CC(=O)[O-])C2)nc1N1CCOCC1	ZINC000096161968	136184679	/nfs/dbraw/zinc/18/46/79/136184679.db2.gz	MZSAXBHISPRTQG-GFCCVEGCSA-N	-1	2	378.429	0.976	50	0		GCAALM
COc1cc2[n-]c(O)c(C(=O)NCCN3CCOCC3)c(=O)c2cc1OC	ZINC000019999174	570234609	/nfs/dbraw/zinc/23/46/09/570234609.db2.gz	SABYNYZSCJUDPD-UHFFFAOYSA-N	-1	2	377.397	0.313	50	0		GCAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-]	ZINC000002113856	570950847	/nfs/dbraw/zinc/95/08/47/570950847.db2.gz	PGCZVTQDTCKHKJ-UHFFFAOYSA-N	-1	2	382.756	0.320	50	0	biogenic	GCAALM
COc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[nH]2)cc1OC	ZINC000012347391	221183737	/nfs/dbraw/zinc/18/37/37/221183737.db2.gz	KLIOEEHIOUMFTO-UHFFFAOYSA-N	-1	2	394.409	0.930	50	0		GCAALM