smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000038142897	554265440	/nfs/dbraw/zinc/26/54/40/554265440.db2.gz	JUNFRSFJSYNDNS-RGVLZGJSSA-N	-2	2	552.337	4.760	50	10		KJCALL
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000097960538	553872353	/nfs/dbraw/zinc/87/23/53/553872353.db2.gz	JUNFRSFJSYNDNS-JAIQZWGSSA-N	-2	2	552.337	4.760	50	10		KJCALL
O=c1c(=NNc2cc([N+](=O)[O-])ccc2O)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(=NNc3cc([N+](=O)[O-])ccc3O)c(=O)c1=2	ZINC000169715607	571559266	/nfs/dbraw/zinc/55/92/66/571559266.db2.gz	IBUQSYBHODCIAE-OGGGYYITSA-N	-2	2	650.516	4.803	50	10		KJCALL
COc1cc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])c(C)cc1NN=C1C=Cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2C1=O	ZINC000225105403	571647734	/nfs/dbraw/zinc/64/77/34/571647734.db2.gz	BCYPBMFLUDSDMI-RRPBDJRISA-N	-4	2	813.779	4.827	50	10		KJCALL
COC1=CC(=NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])C(C)=CC1=NNc1c(O)c2c(N)cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-]	ZINC000225105462	571647710	/nfs/dbraw/zinc/64/77/10/571647710.db2.gz	OCVKAJULRQBIEK-RRPBDJRISA-N	-4	2	813.779	4.827	50	10		KJCALL