smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(NC(C)=O)(C(=O)[O-])C(=O)[O-]	ZINC000000399832	188158663	/nfs/dbraw/zinc/15/86/63/188158663.db2.gz	ABOLLNJXLFDZSK-UHFFFAOYSA-N	-2	0	201.178	-0.393	50	30		BBEARL
C=C1OC(=O)C(C(C)=O)=C([O-])C1C(=O)[O-]	ZINC000001693298	388830150	/nfs/dbraw/zinc/83/01/50/388830150.db2.gz	ZVTPLASNCIDWSK-RXMQYKEDSA-N	-2	0	212.157	-0.324	50	30		BBEARL
O=C([O-])CNC(=S)C(=S)NCC(=O)[O-]	ZINC000003875653	384031861	/nfs/dbraw/zinc/03/18/61/384031861.db2.gz	LJIPVCWBVLYNOV-UHFFFAOYSA-N	-2	0	236.274	-0.188	50	30		BBEARL
O=CC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]	ZINC000003882251	182849715	/nfs/dbraw/zinc/84/97/15/182849715.db2.gz	UUFNCLKCLIVGDT-UHFFFAOYSA-N	-3	0	204.134	-0.794	50	30		BBEARL
CCC(=NNc1nnc(C)c(=O)[n-]1)C(=O)[O-]	ZINC000004480011	384378036	/nfs/dbraw/zinc/37/80/36/384378036.db2.gz	XQOIZQYTZQWPLG-VZUCSPMQSA-N	-2	0	225.208	-0.264	50	30		BBEARL
N#CCCN(CC(=O)[O-])C[P@](=O)([O-])O	ZINC000005479803	181036933	/nfs/dbraw/zinc/03/69/33/181036933.db2.gz	HWXVBJHDMWWTEB-UHFFFAOYSA-N	-2	0	222.137	-0.578	50	30		BBEARL
CC(=N\OCC(=O)[O-])/C(C)=N/OCC(=O)[O-]	ZINC000005494755	342764797	/nfs/dbraw/zinc/76/47/97/342764797.db2.gz	XHHKUEOFVJKJHY-NXZHAISVSA-N	-2	0	232.192	-0.059	50	30		BBEARL
CC(=NNc1nnc(C)c(=O)[n-]1)C(=O)[O-]	ZINC000008672492	398329209	/nfs/dbraw/zinc/32/92/09/398329209.db2.gz	NZSYRPJMGWWXKA-ONNFQVAWSA-N	-2	0	211.181	-0.242	50	30		BBEARL
Cc1cc([O-])n(CC(=O)[O-])c(=O)c1C#N	ZINC000018996884	178200423	/nfs/dbraw/zinc/20/04/23/178200423.db2.gz	ZNEOZWHWBWZONP-UHFFFAOYSA-N	-2	0	208.173	-0.181	50	30		BBEARL
C=C1OC(=O)C(C(C)=O)=C([O-])C1C(=O)[O-]	ZINC000025626671	358947273	/nfs/dbraw/zinc/94/72/73/358947273.db2.gz	ZVTPLASNCIDWSK-YFKPBYRVSA-N	-2	0	212.157	-0.324	50	30		BBEARL
N#Cc1cn(CCC(=O)[O-])c(=O)[n-]c1=O	ZINC000062710759	398302252	/nfs/dbraw/zinc/30/22/52/398302252.db2.gz	IPNVPPYKPKBHLP-UHFFFAOYSA-N	-2	0	209.161	-0.705	50	30		BBEARL
C/C(=N/[O-])c1no[n+]([O-])c1/C(C)=N\[O-]	ZINC000100893155	191117478	/nfs/dbraw/zinc/11/74/78/191117478.db2.gz	JBXZBTZRAHCXJP-VHOZIDCHSA-N	-2	0	200.154	-0.296	50	30		BBEARL