smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[C@H](CC[C@@H](CC=C)C(=O)[O-])C(=O)[O-]	ZINC000001670446	187364383	/nfs/dbraw/zinc/36/43/83/187364383.db2.gz	KZTBFOMSRKKQIK-NXEZZACHSA-N	-2	0	226.272	2.320	40	30		BEEBRL
C=C(C(=O)[O-])[C@H](CCCCCC)C(=O)[O-]	ZINC000013660167	343606868	/nfs/dbraw/zinc/60/68/68/343606868.db2.gz	HKMDCNSGDQBQLI-VIFPVBQESA-N	-2	0	214.261	2.298	40	30	biogenic,in-vitro	BEEBRL
[O-]/N=C(/Cl)c1ccc(/C(Cl)=N/[O-])cc1	ZINC000104082699	384797220	/nfs/dbraw/zinc/79/72/20/384797220.db2.gz	UFBYAIYUSCRMGC-NTLHZVPKSA-N	-2	0	233.054	2.436	40	30		BEEBRL
C=CC[C@@H](CC[C@H](CC=C)C(=O)[O-])C(=O)[O-]	ZINC000001670447	386643510	/nfs/dbraw/zinc/64/35/10/386643510.db2.gz	KZTBFOMSRKKQIK-UWVGGRQHSA-N	-2	0	226.272	2.320	40	30		BEEBRL
[O-]/N=C(\Cl)c1ccc(/C(Cl)=N/[O-])cc1	ZINC000017421216	384489800	/nfs/dbraw/zinc/48/98/00/384489800.db2.gz	UFBYAIYUSCRMGC-OXAWKVHCSA-N	-2	0	233.054	2.436	40	30		BEEBRL
C=CC[C@@H](CC[C@@H](CC=C)C(=O)[O-])C(=O)[O-]	ZINC000001670445	386644152	/nfs/dbraw/zinc/64/41/52/386644152.db2.gz	KZTBFOMSRKKQIK-AOOOYVTPSA-N	-2	0	226.272	2.320	40	30		BEEBRL
C=C(C(=O)[O-])[C@@H](CCCCCC)C(=O)[O-]	ZINC000013660164	384582903	/nfs/dbraw/zinc/58/29/03/384582903.db2.gz	HKMDCNSGDQBQLI-SECBINFHSA-N	-2	0	214.261	2.298	40	30	biogenic,in-vitro	BEEBRL
CCCCCCCC(C(=O)[O-])C(=O)[O-]	ZINC000001672877	357336112	/nfs/dbraw/zinc/33/61/12/357336112.db2.gz	YSFZWUJOBANROZ-UHFFFAOYSA-N	-2	0	202.250	2.132	40	30	in-man	BEEBRL
[O-]/N=C(/Cl)c1ccc(/C(Cl)=N\[O-])cc1	ZINC000017421212	384488284	/nfs/dbraw/zinc/48/82/84/384488284.db2.gz	UFBYAIYUSCRMGC-MKICQXMISA-N	-2	0	233.054	2.436	40	30		BEEBRL
N#[N+][N-]Cc1cccc(C([O-])=CC(=O)C(=O)[O-])c1	ZINC000101850349	388671385	/nfs/dbraw/zinc/67/13/85/388671385.db2.gz	DWAUHOPROZDIJR-YHYXMXQVSA-N	-2	0	247.210	2.206	40	30		BEEBRL