smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c([O-])cc(Br)cc1C(=O)[O-]	ZINC000263624357	187331840	/nfs/dbraw/zinc/33/18/40/187331840.db2.gz	PRJYZDIFXRPCRL-UHFFFAOYSA-N	-2	1	242.028	1.725	50	30		BDEAML
N#Cc1cc(Br)c(C(=O)[O-])cc1[O-]	ZINC000263624567	181081608	/nfs/dbraw/zinc/08/16/08/181081608.db2.gz	RQEJWQRMWAKSFR-UHFFFAOYSA-N	-2	1	242.028	1.725	50	30		BDEAML
N#Cc1cc(C(=O)[O-])c(Br)cc1[O-]	ZINC000263623835	181085093	/nfs/dbraw/zinc/08/50/93/181085093.db2.gz	LDERUMSGIXARDH-UHFFFAOYSA-N	-2	1	242.028	1.725	50	30		BDEAML
N#Cc1c([O-])cc(C(=O)[O-])cc1Br	ZINC000263623283	188192829	/nfs/dbraw/zinc/19/28/29/188192829.db2.gz	GFEHNMYAHHNYRD-UHFFFAOYSA-N	-2	1	242.028	1.725	50	30		BDEAML
N#Cc1c(=O)[n-]c([O-])cc1C(F)(F)F	ZINC000012336283	181073055	/nfs/dbraw/zinc/07/30/55/181073055.db2.gz	JRLZWXISQMMITA-UHFFFAOYSA-N	-2	1	204.107	1.383	50	30		BDEAML
CCOC(=O)c1sc(C#N)c([O-])c1[O-]	ZINC000039390224	262788192	/nfs/dbraw/zinc/78/81/92/262788192.db2.gz	PEDCBXYLHQONKJ-UHFFFAOYSA-N	-2	1	213.214	1.208	50	30		BDEAML
Cc1ccc(O)c(/C(CCC(=O)[O-])=N/[O-])c1	ZINC000005541882	342765519	/nfs/dbraw/zinc/76/55/19/342765519.db2.gz	HWVIVTWXKCSQBG-FMIVXFBMSA-N	-2	1	223.228	1.744	50	30		BDEAML
O=C([O-])C=NN=c1[n-]ncc2ccccc21	ZINC000072370093	384049329	/nfs/dbraw/zinc/04/93/29/384049329.db2.gz	JPYADYJIXPFWLY-WUXMJOGZSA-N	-2	1	216.200	1.112	50	30		BDEAML
[O-]N=CC(C=N[O-])N=Nc1ccccc1	ZINC000097947786	384579333	/nfs/dbraw/zinc/57/93/33/384579333.db2.gz	GLLXEPRJNSLUNP-JMQWPVDRSA-N	-2	1	206.205	1.375	50	30		BDEAML
O=C1c2cc(Br)ccc2[N-]/C1=N/[O-]	ZINC000005731242	397869856	/nfs/dbraw/zinc/86/98/56/397869856.db2.gz	QNXJWPXBMJOWMU-UHFFFAOYSA-N	-2	1	241.044	1.845	50	30		BDEAML
C=C(C)CCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000008215654	384195674	/nfs/dbraw/zinc/19/56/74/384195674.db2.gz	NUHSROFQTUXZQQ-UHFFFAOYSA-N	-3	1	246.092	1.179	50	30	endogenous,in-man	BDEAML
C=C(C)CCO[P@@](=O)([O-])OP(=O)([O-])O	ZINC000008215654	384195677	/nfs/dbraw/zinc/19/56/77/384195677.db2.gz	NUHSROFQTUXZQQ-UHFFFAOYSA-N	-2	1	246.092	1.179	50	30	endogenous,in-man	BDEAML
C=C(C)CCO[P@](=O)([O-])OP(=O)([O-])O	ZINC000008215654	384195682	/nfs/dbraw/zinc/19/56/82/384195682.db2.gz	NUHSROFQTUXZQQ-UHFFFAOYSA-N	-2	1	246.092	1.179	50	30	endogenous,in-man	BDEAML
C=C(C)CCOP(=O)([O-])O[P@@](=O)([O-])O	ZINC000008215654	384195685	/nfs/dbraw/zinc/19/56/85/384195685.db2.gz	NUHSROFQTUXZQQ-UHFFFAOYSA-N	-2	1	246.092	1.179	50	30	endogenous,in-man	BDEAML
C=C(C)CCOP(=O)([O-])O[P@](=O)([O-])O	ZINC000008215654	384195687	/nfs/dbraw/zinc/19/56/87/384195687.db2.gz	NUHSROFQTUXZQQ-UHFFFAOYSA-N	-2	1	246.092	1.179	50	30	endogenous,in-man	BDEAML
CCCc1cc(=O)[n-]c(NN=C(C)C(=O)[O-])n1	ZINC000253534240	388610734	/nfs/dbraw/zinc/61/07/34/388610734.db2.gz	VBFZFBYNRPBPNN-UHFFFAOYSA-N	-2	1	238.247	1.007	50	30		BDEAML
C=CCn1c(=O)c(C(=O)[O-])c([O-])c2ccccc21	ZINC000150042565	385539050	/nfs/dbraw/zinc/53/90/50/385539050.db2.gz	UJOSXGMYVRUSFZ-UHFFFAOYSA-N	-2	1	245.234	1.591	50	30		BDEAML
C=CCc1c(C)nc(SCC(=O)[O-])[n-]c1=O	ZINC000009482624	187874606	/nfs/dbraw/zinc/87/46/06/187874606.db2.gz	FKBUJDBICCEBRE-UHFFFAOYSA-N	-2	1	240.284	1.396	50	30		BDEAML
C/C(=N\[O-])c1ccccc1OCC(=O)[O-]	ZINC000005184273	191121675	/nfs/dbraw/zinc/12/16/75/191121675.db2.gz	MTJWOHHVFBGVAG-YRNVUSSQSA-N	-2	1	209.201	1.348	50	30		BDEAML