smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc13)C[C@H](C(C)(C)O)O2	ZINC000015205928	557284932	/nfs/dbraw/zinc/28/49/32/557284932.db2.gz	NMEQUFXTRAXRGN-LJQANCHMSA-N	0	1	438.476	4.160	10	10	biogenic	IICEMN
CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C\c4ccc(OC)cc4)ccc3n2)CC1	ZINC000038153922	563096806	/nfs/dbraw/zinc/09/68/06/563096806.db2.gz	BYSCWUNLAIWJED-GHXNOFRVSA-N	0	1	430.552	4.346	10	10		IICEMN
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc13)C[C@@H](C(C)(C)O)O2	ZINC000015205931	557284992	/nfs/dbraw/zinc/28/49/92/557284992.db2.gz	NMEQUFXTRAXRGN-IBGZPJMESA-N	0	1	438.476	4.160	10	10	biogenic	IICEMN
COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(OC)c1	ZINC000020229003	557001775	/nfs/dbraw/zinc/00/17/75/557001775.db2.gz	JCEPBYXKBLOXQO-NVNXTCNLSA-N	0	1	447.310	4.138	10	10		IICEMN
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccc(Cl)c2)cc1	ZINC000040394742	563100542	/nfs/dbraw/zinc/10/05/42/563100542.db2.gz	AVEOUUKYCPBIQO-UHFFFAOYSA-N	0	1	428.897	4.330	10	10		IICEMN
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	ZINC000020479467	526943574	/nfs/dbraw/zinc/94/35/74/526943574.db2.gz	CJXBUOPGSXXTJM-LDADJPATSA-N	0	1	436.424	4.196	10	10		IICEMN