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-])CC(=CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000001530142	560181293	/nfs/dbraw/zinc/18/12/93/560181293.db2.gz	POTZSFVTPSBXLW-IWQZZHSRSA-N	-3	0	202.118	-0.874	10	30	in-vitro	BBEERL
O=CCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000001530297	571679817	/nfs/dbraw/zinc/67/98/17/571679817.db2.gz	XTOKIEIBKARFSZ-LURJTMIESA-N	-2	0	231.204	-0.600	10	30	endogenous,in-man	BBEERL
O=C([O-])CCC(=O)C1=CC=C[C@@H](O)[C@@H]1C(=O)[O-]	ZINC000004096915	574412224	/nfs/dbraw/zinc/41/22/24/574412224.db2.gz	QJYRAJSESKVEAE-PSASIEDQSA-N	-2	0	240.211	-0.022	10	30	endogenous,in-vivo	BBEERL
O=C([O-])CC(=CCC(=O)C(=O)[O-])C(=O)[O-]	ZINC000004629841	560198799	/nfs/dbraw/zinc/19/87/99/560198799.db2.gz	WHGVLEMQINVDLH-XDSMRRFISA-N	-3	0	216.145	-0.628	10	30	in-vitro	BBEERL
O=C([O-])CC(=CCC(=O)C(=O)[O-])C(=O)[O-]	ZINC000013526749	560218662	/nfs/dbraw/zinc/21/86/62/560218662.db2.gz	WHGVLEMQINVDLH-HYLWAGPFSA-N	-3	0	216.145	-0.628	10	30	in-vitro	BBEERL
CC(=CC(=O)CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000013542625	560219271	/nfs/dbraw/zinc/21/92/71/560219271.db2.gz	FLEYITPUELIUDL-RQOWECAXSA-N	-2	0	200.146	-0.370	10	30	in-vitro	BBEERL
O=C([O-])CC(=CCC(=O)C(=O)[O-])C(=O)[O-]	ZINC000013542957	560219352	/nfs/dbraw/zinc/21/93/52/560219352.db2.gz	WHGVLEMQINVDLH-QPHDTYRISA-N	-3	0	216.145	-0.628	10	30	in-vitro	BBEERL
O=C([O-])C=CC(=O)CC(=O)CC(=O)[O-]	ZINC000030320937	571742231	/nfs/dbraw/zinc/74/22/31/571742231.db2.gz	GACSIVHAIFQKTC-UPHRSURJSA-N	-2	0	200.146	-0.370	10	30	endogenous,in-man	BBEERL
O=C([O-])C=CC(=O)CC(=O)CC(=O)[O-]	ZINC000030320946	571741928	/nfs/dbraw/zinc/74/19/28/571741928.db2.gz	GACSIVHAIFQKTC-OWOJBTEDSA-N	-2	0	200.146	-0.370	10	30	endogenous,in-man	BBEERL
Nc1nc(/C(=N/OCC(=O)[O-])C(=O)[O-])cs1	ZINC000034245654	343266880	/nfs/dbraw/zinc/26/68/80/343266880.db2.gz	BTBQXVJMMALOJT-YHYXMXQVSA-N	-2	0	245.216	-0.385	10	30		BBEERL
N#Cc1ccc([N-]S(=O)(=O)CC(=O)[O-])nc1	ZINC000051953612	181124646	/nfs/dbraw/zinc/12/46/46/181124646.db2.gz	JMOQNHMUCFXVRI-UHFFFAOYSA-N	-2	0	241.228	-0.220	10	30		BBEERL
C=C(C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000082265071	188119870	/nfs/dbraw/zinc/11/98/70/188119870.db2.gz	KILBXVYNTOYOJK-YFKPBYRVSA-N	-2	0	201.178	-0.393	10	30		BBEERL
C=C(C)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000082265072	187947784	/nfs/dbraw/zinc/94/77/84/187947784.db2.gz	KILBXVYNTOYOJK-RXMQYKEDSA-N	-2	0	201.178	-0.393	10	30		BBEERL
N#Cc1ccnc(N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000104333432	181155839	/nfs/dbraw/zinc/15/58/39/181155839.db2.gz	NOXGZXKZPUVZQS-UHFFFAOYSA-N	-2	0	235.199	-0.071	10	30		BBEERL
C=CCNC(=O)[C@H](C)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104345212	166386696	/nfs/dbraw/zinc/38/66/96/166386696.db2.gz	OCZMPVVTNKWQNM-ZETCQYMHSA-N	-2	0	244.247	-0.852	10	30		BBEERL
CC(=O)/C=C(\C)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000111891390	188271563	/nfs/dbraw/zinc/27/15/63/188271563.db2.gz	XCDOOMMEIPTRTR-MZTFZBDOSA-N	-2	0	215.205	-0.003	10	30		BBEERL
C=C(C)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000116513259	188098434	/nfs/dbraw/zinc/09/84/34/188098434.db2.gz	BCKKKQIAPZBSDV-ZCFIWIBFSA-N	-2	0	215.205	-0.003	10	30		BBEERL
CN([C@@H](S)C(=O)[O-])[C@@H](S)C(=O)[O-]	ZINC000165792006	385191078	/nfs/dbraw/zinc/19/10/78/385191078.db2.gz	DNOLBULUUWVZHB-HRFVKAFMSA-N	-2	0	211.264	-0.401	10	30		BBEERL
CN([C@H](S)C(=O)[O-])[C@@H](S)C(=O)[O-]	ZINC000165792124	172941999	/nfs/dbraw/zinc/94/19/99/172941999.db2.gz	DNOLBULUUWVZHB-WSOKHJQSSA-N	-2	0	211.264	-0.401	10	30		BBEERL
CN([C@H](S)C(=O)[O-])[C@H](S)C(=O)[O-]	ZINC000165792254	385191669	/nfs/dbraw/zinc/19/16/69/385191669.db2.gz	DNOLBULUUWVZHB-PWNYCUMCSA-N	-2	0	211.264	-0.401	10	30		BBEERL
C#CC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000225760248	345175918	/nfs/dbraw/zinc/17/59/18/345175918.db2.gz	LBHWYKSGQSZVLB-SFYZADRCSA-N	-2	0	211.217	-0.273	10	30		BBEERL
C#CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000225760271	371574383	/nfs/dbraw/zinc/57/43/83/371574383.db2.gz	LBHWYKSGQSZVLB-YUMQZZPRSA-N	-2	0	211.217	-0.273	10	30		BBEERL
CC(=N[O-])c1no[n+]([O-])c1C(C)=N[O-]	ZINC000575118573	345229011	/nfs/dbraw/zinc/22/90/11/345229011.db2.gz	JBXZBTZRAHCXJP-UHFFFAOYSA-N	-2	0	200.154	-0.296	10	30		BBEERL
C[C@H](/C=N/O)Nc1nc(N)[n-]c(=O)c1[N+](=O)[O-]	ZINC000584658975	411918446	/nfs/dbraw/zinc/91/84/46/411918446.db2.gz	HEPPHZILNNXRQT-NEJOGRPOSA-N	-2	0	242.195	-0.067	10	30		BBEERL
N#Cc1ccc(C(=O)NC(C(=O)[O-])C(=O)[O-])o1	ZINC000606301878	351551456	/nfs/dbraw/zinc/55/14/56/351551456.db2.gz	LHKXMJZPYKCRPP-UHFFFAOYSA-N	-2	0	238.155	-0.581	10	30		BBEERL