smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOC[C@@H](O)COP(=O)([O-])[O-]	ZINC000001680142	386644782	/nfs/dbraw/zinc/64/47/82/386644782.db2.gz	GUTCDZUQWHIESF-ZCFIWIBFSA-N	-2	0	212.138	-0.341	40	30		BBEBRL
C[C@@H](C(=O)[O-])n1cc(C#N)c(=O)[n-]c1=O	ZINC000001681044	357133446	/nfs/dbraw/zinc/13/34/46/357133446.db2.gz	BMMCVHACUWBEKW-BYPYZUCNSA-N	-2	0	209.161	-0.946	40	30		BBEBRL
O=C([O-])c1cc(O)c2c(n1)C(=O)C=C([O-])C2=O	ZINC000004626802	342749739	/nfs/dbraw/zinc/74/97/39/342749739.db2.gz	STDAOZXVODUFIH-UHFFFAOYSA-N	-2	0	235.151	-0.106	40	30		BBEBRL
C=CCOC[C@H](O)COP(=O)([O-])[O-]	ZINC000005426687	386810216	/nfs/dbraw/zinc/81/02/16/386810216.db2.gz	GUTCDZUQWHIESF-LURJTMIESA-N	-2	0	212.138	-0.341	40	30		BBEBRL
C=CCNC(=S)N(CC(=O)[O-])CC(=O)[O-]	ZINC000005480597	166395073	/nfs/dbraw/zinc/39/50/73/166395073.db2.gz	RIZFAUBDGQRHCC-UHFFFAOYSA-N	-2	0	232.261	-0.482	40	30		BBEBRL
NC(=S)N/N=C(/CCC(=O)[O-])C(=O)[O-]	ZINC000016136283	181317094	/nfs/dbraw/zinc/31/70/94/181317094.db2.gz	VUKSTZSNXXOTSQ-BAQGIRSFSA-N	-2	0	219.222	-0.875	40	30		BBEBRL
COC(=O)/C(=N\[O-])C(=O)CCC(=O)[O-]	ZINC000017285703	384484940	/nfs/dbraw/zinc/48/49/40/384484940.db2.gz	OOONWUMOPNHILN-VURMDHGXSA-N	-2	0	203.150	-0.577	40	30		BBEBRL
C[C@H](C(=O)[O-])n1cc(C#N)c(=O)[n-]c1=O	ZINC000056635454	176586777	/nfs/dbraw/zinc/58/67/77/176586777.db2.gz	BMMCVHACUWBEKW-SCSAIBSYSA-N	-2	0	209.161	-0.534	40	30		BBEBRL
C=C(CNC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000069593293	191005519	/nfs/dbraw/zinc/00/55/19/191005519.db2.gz	PNLGMFCJGPZLLO-UHFFFAOYSA-N	-2	0	201.178	-0.392	40	30		BBEBRL
C=C(CO[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000069593304	384230240	/nfs/dbraw/zinc/23/02/40/384230240.db2.gz	JOHMAVDSSMOCQM-YFKPBYRVSA-N	-3	0	218.161	-0.428	40	30		BBEBRL
C=C(CO[C@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000069593308	188131914	/nfs/dbraw/zinc/13/19/14/188131914.db2.gz	JOHMAVDSSMOCQM-RXMQYKEDSA-N	-3	0	218.161	-0.428	40	30		BBEBRL
C=C1C[C@@H](C(=O)[O-])C[C@@]1(C(=O)[O-])S(C)(=O)=O	ZINC000096532353	385282845	/nfs/dbraw/zinc/28/28/45/385282845.db2.gz	LXHVFFQBIPEFJI-HZGVNTEJSA-N	-2	0	248.256	-0.095	40	30		BBEBRL
C=C1C[C@@H](C(=O)[O-])C[C@]1(C(=O)[O-])S(C)(=O)=O	ZINC000096532354	385282364	/nfs/dbraw/zinc/28/23/64/385282364.db2.gz	LXHVFFQBIPEFJI-MUWHJKNJSA-N	-2	0	248.256	-0.095	40	30		BBEBRL
C=C1C[C@H](C(=O)[O-])C[C@@]1(C(=O)[O-])S(C)(=O)=O	ZINC000096532357	385281807	/nfs/dbraw/zinc/28/18/07/385281807.db2.gz	LXHVFFQBIPEFJI-IMTBSYHQSA-N	-2	0	248.256	-0.095	40	30		BBEBRL
C=C1C[C@H](C(=O)[O-])C[C@]1(C(=O)[O-])S(C)(=O)=O	ZINC000096532358	187362276	/nfs/dbraw/zinc/36/22/76/187362276.db2.gz	LXHVFFQBIPEFJI-RCOVLWMOSA-N	-2	0	248.256	-0.095	40	30		BBEBRL
COC1=C([O-])C([O-])=C(OC)C(=O)C1=O	ZINC000100250030	174013211	/nfs/dbraw/zinc/01/32/11/174013211.db2.gz	BOEZUCUORQCPJY-UHFFFAOYSA-N	-2	0	200.146	-0.030	40	30		BBEBRL
Cc1cc(=O)n(CC(=O)[O-])c([O-])c1C#N	ZINC000100923659	384658327	/nfs/dbraw/zinc/65/83/27/384658327.db2.gz	IPCPAPGCANEFFH-UHFFFAOYSA-N	-2	0	208.173	-0.181	40	30		BBEBRL
N#Cc1c[n-]n2c1ncc(C(=O)[O-])c2=O	ZINC000101652051	181165671	/nfs/dbraw/zinc/16/56/71/181165671.db2.gz	CFDHSVQDCDONLD-UHFFFAOYSA-N	-2	0	204.145	-0.408	40	30		BBEBRL
C/C(=N\[O-])c1no[n+]([O-])c1/C(C)=N\[O-]	ZINC000102401588	384712404	/nfs/dbraw/zinc/71/24/04/384712404.db2.gz	JBXZBTZRAHCXJP-JHYGWMECSA-N	-2	0	200.154	-0.296	40	30		BBEBRL
COC(=O)/C(=N/[O-])C(=O)CCC(=O)[O-]	ZINC000104337582	384822583	/nfs/dbraw/zinc/82/25/83/384822583.db2.gz	OOONWUMOPNHILN-SOFGYWHQSA-N	-2	0	203.150	-0.577	40	30		BBEBRL
Nc1[nH+]c(/C(=N/[O-])C(=O)NCC(=O)[O-])cs1	ZINC000148210840	368420899	/nfs/dbraw/zinc/42/08/99/368420899.db2.gz	JFHNSSMBYZTXNM-WZUFQYTHSA-N	-2	0	244.232	-0.896	40	30		BBEBRL