smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=Cc1ccc(OC)c(O)c1O	59587785	560082786	/nfs/dbraw/zinc/08/27/86/560082786.db2.gz	KRPXWQJAYIUHCI-UHFFFAOYSA-N	0	0	166.176	1.749	1	10	biogenic,in-vitro	ADCFRN
CCC(C)=S	5832283	560203452	/nfs/dbraw/zinc/20/34/52/560203452.db2.gz	OMNLPAKGAQSUGE-UHFFFAOYSA-N	0	0	88.175	1.786	1	10	in-vitro	ADCFRN
CC1=[N+]([O-])c2ccccc2C(=O)C1=O	1622316	132178841	/nfs/dbraw/zinc/17/88/41/132178841.db2.gz	DEUMHPKEGIBZSI-UHFFFAOYSA-N	0	0	189.170	1.055	1	10		ADCFRN
C[C@H]1CCC[C@@H](C)N1N(O)N=O	29127495	168608343	/nfs/dbraw/zinc/60/83/43/168608343.db2.gz	BBUVAKKHGVJZHP-YDKQAJOWSA-N	0	0	173.216	1.516	1	10		ADCFRN
C[C@H]1CCC[C@H](C)N1N(O)N=O	29127496	168610680	/nfs/dbraw/zinc/61/06/80/168610680.db2.gz	BBUVAKKHGVJZHP-GAJZWAKASA-N	0	0	173.216	1.516	1	10		ADCFRN
Oc1cc2c(cc1O)[C@@H]1C[C@@H]1C2	28012150	169456744	/nfs/dbraw/zinc/45/67/44/169456744.db2.gz	FCBHDJOETOHGLS-CAHLUQPWSA-N	0	0	162.188	1.757	1	10		ADCFRN
NC(=S)/N=N/c1ccc(O)cc1	6321843	171019909	/nfs/dbraw/zinc/01/99/09/171019909.db2.gz	YNRDWJDYBGDMRB-MDZDMXLPSA-N	0	0	181.220	1.720	1	10		ADCFRN
CC(C)N(C(C)C)N(O)N=O	29127074	171047639	/nfs/dbraw/zinc/04/76/39/171047639.db2.gz	ZSHFMFOWFLZJOX-CLFYSBASSA-N	0	0	161.205	1.372	1	10		ADCFRN
C[N+](C)(C)c1cccc(O)c1O	29557865	171048632	/nfs/dbraw/zinc/04/86/32/171048632.db2.gz	ADEICXSVFWLTKN-UHFFFAOYSA-O	0	0	168.216	1.295	1	10		ADCFRN
NC(=S)/N=N\c1ccc(O)cc1	102024628	171145947	/nfs/dbraw/zinc/14/59/47/171145947.db2.gz	YNRDWJDYBGDMRB-KTKRTIGZSA-N	0	0	181.220	1.720	1	10		ADCFRN