smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=N\c2ccccc2[O-])cc(I)c1OCC(=O)[O-]	ZINC000408905033	556883868	/nfs/dbraw/zinc/88/38/68/556883868.db2.gz	SFJIQAKXNIGUJN-LSCVHKIXSA-N	-2	3	427.194	3.219	40	30		IGEBHL
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])nnc1-c1ccccc1[O-]	ZINC000409412265	557104062	/nfs/dbraw/zinc/10/40/62/557104062.db2.gz	CXZCYUDDBVYYRZ-UHFFFAOYSA-N	-2	3	427.442	3.181	40	30		IGEBHL
CCCc1cc(=O)[n-]c(NN=Cc2cc(Br)cc(Br)c2[O-])n1	ZINC000003947097	569212068	/nfs/dbraw/zinc/21/20/68/569212068.db2.gz	REZCGPLLFLJUPV-REZTVBANSA-N	-2	3	430.100	3.399	40	30		IGEBHL
COc1cc(/C=N/[O-])cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409074453	556943256	/nfs/dbraw/zinc/94/32/56/556943256.db2.gz	LVAIDLYZEKTCQR-QGMBQPNBSA-N	-2	3	427.194	3.385	40	30		IGEBHL
COc1cc(/C=C2/SC(=S)N(/N=C/c3ccccc3[O-])C2=O)ccc1OCC(=O)[O-]	ZINC000013915147	556662045	/nfs/dbraw/zinc/66/20/45/556662045.db2.gz	LLGAADSSJRMSEZ-IEUAYOPESA-N	-2	3	444.490	3.100	40	30		IGEBHL
C=CCN1C(=O)/C(=C/c2cc(OCC)c([O-])c(Cl)c2Br)C(=O)[N-]C1=S	ZINC000408901247	556882537	/nfs/dbraw/zinc/88/25/37/556882537.db2.gz	COFTXGOAEYUQOW-RMKNXTFCSA-N	-2	3	445.722	3.020	40	30		IGEBHL
N#CCSc1nc(N=NCc2cc(Br)cc(Br)c2[O-])n[n-]1	ZINC000036610904	526479329	/nfs/dbraw/zinc/47/93/29/526479329.db2.gz	BKPSPBHBIFDONE-PJQLUOCWSA-N	-2	3	432.101	3.097	40	30		IGEBHL
[O-]C(Cc1cc(CC([O-])(C(F)(F)F)C(F)(F)F)ncn1)(C(F)(F)F)C(F)(F)F	ZINC000104141868	557321234	/nfs/dbraw/zinc/32/12/34/557321234.db2.gz	MBYWWYGONXOXIS-UHFFFAOYSA-N	-2	3	440.184	3.273	40	30		IGEBHL