smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(CC(C)C)=N\CCN(CC/N=C(\C)CC(C)C)C[C@@H](O)COc1ccccc1	ZINC000031361774	518473544	/nfs/dbraw/zinc/47/35/44/518473544.db2.gz	JSDNIAKHCKUYDD-AIQWBRPXSA-N	0	1	417.638	4.742	10	30		HJEEMN
Fc1cccc(Cl)c1C=NNc1nn2c(nnc2C(F)(F)F)c2ccccc21	ZINC000004565383	560607434	/nfs/dbraw/zinc/60/74/34/560607434.db2.gz	OGYZAHKDEKKKRT-LIMNOBDPSA-N	0	1	408.746	4.535	10	30		HJEEMN
C[C@H]1C[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)[O-])c1ccccc1	ZINC000003873111	560190964	/nfs/dbraw/zinc/19/09/64/560190964.db2.gz	ZCGOMHNNNFPNMX-PWHVSVGCSA-N	0	1	420.528	4.894	10	30	in-vitro	HJEEMN
COc1ccc(/C=C\C(=O)c2ccccc2O)cc1COc1ccc(NC(C)=O)cc1	ZINC000033456433	523435101	/nfs/dbraw/zinc/43/51/01/523435101.db2.gz	ANXRORRCENSHMN-QPEQYQDCSA-N	0	1	417.461	4.834	10	30		HJEEMN
C=C(C)[C@H](O)Cc1cc(-c2coc3cc(O)c(CC=C(C)C)c(=O)c-3c2O)ccc1O	ZINC000014780934	518643968	/nfs/dbraw/zinc/64/39/68/518643968.db2.gz	VTPPCNLZUDSZGM-HXUWFJFHSA-N	0	1	422.477	4.565	10	30	biogenic,in-vitro	HJEEMN
Cc1nc([C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)c2ccccc2)n[nH]1	ZINC000328603142	569416872	/nfs/dbraw/zinc/41/68/72/569416872.db2.gz	FCAHGISEEPPHFC-JLMWRMLUSA-N	0	1	408.889	4.553	10	30		HJEEMN
CCCCCCCCCCCC(=O)OCCCO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000100036221	717142062	/nfs/dbraw/zinc/14/20/62/717142062.db2.gz	NGFKOZLFZSRQAT-UHFFFAOYSA-O	0	1	424.539	4.680	10	30		HJEEMN
C=C(C)[C@@H](O)Cc1cc(-c2coc3cc(O)c(CC=C(C)C)c(=O)c-3c2O)ccc1O	ZINC000014780937	518642450	/nfs/dbraw/zinc/64/24/50/518642450.db2.gz	VTPPCNLZUDSZGM-FQEVSTJZSA-N	0	1	422.477	4.565	10	30	biogenic	HJEEMN
Cc1nc([C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)c2ccccc2)n[nH]1	ZINC000328603143	569416949	/nfs/dbraw/zinc/41/69/49/569416949.db2.gz	FCAHGISEEPPHFC-KPLVRAHFSA-N	0	1	408.889	4.553	10	30		HJEEMN