smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	ZINC000040954621	205075479	/nfs/dbraw/zinc/07/54/79/205075479.db2.gz	SMIFZCXTQFKPNJ-FQEVSTJZSA-N	0	1	399.472	0.715	1	30		GCEFMN
C[C@H]1CO[C@@H]2C(CN3CC[NH+](C)CC3)=C(F)C=C3C(=O)C(C(=O)[O-])=CN1[C@H]32	ZINC000052996741	205135312	/nfs/dbraw/zinc/13/53/12/205135312.db2.gz	QXPZFZNTFIOTEO-LIXBPZJASA-N	0	1	377.416	0.407	1	30		GCEFMN
CCOP(=O)(NN=c1[nH]c(N)c(C(=O)N=C(N)N)nc1Cl)OCC	ZINC000073129745	211124218	/nfs/dbraw/zinc/12/42/18/211124218.db2.gz	PHEDMLDSRWPJTN-UHFFFAOYSA-N	0	1	380.733	0.223	1	30		GCEFMN
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@H](CO)NCCO)c21	ZINC000014947111	212099283	/nfs/dbraw/zinc/09/92/83/212099283.db2.gz	LICPCHXULHJNTF-XTCQQWIJSA-N	0	1	385.395	0.949	1	30		GCEFMN
C=CCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1	ZINC000028221915	212108882	/nfs/dbraw/zinc/10/88/82/212108882.db2.gz	ACYMAWBYIFEUAC-PBFPGSCMSA-N	0	1	389.433	0.707	1	30		GCEFMN
COc1ccc(S(=O)(=O)N2C[C@@H](N3CCCCC3)C[C@@H]2C(=O)NO)cc1	ZINC000013835741	207002587	/nfs/dbraw/zinc/00/25/87/207002587.db2.gz	ZZEIPXVXVCUKGA-XJKSGUPXSA-N	0	1	383.470	0.818	1	30		GCEFMN