smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(SC(=Cc2cc(Cl)cc(I)c2O)C(=O)[O-])n[nH]1	ZINC000409193050	556992708	/nfs/dbraw/zinc/99/27/08/556992708.db2.gz	HMTRRHFZKBQZNA-OQFOIZHKSA-N	-1	2	437.646	3.295	40	0		IGABLM
COc1ccc([C@H]2[C@@H]3CCC[C@H]([C@@H](c4ccc(OC)cc4)[N@@H+]2C)C32NC(=O)NC2=O)cc1	ZINC000005618544	556060653	/nfs/dbraw/zinc/06/06/53/556060653.db2.gz	VTJKPXDJRWVZTI-BWIXQKSYSA-N	-1	2	435.524	3.426	40	0		IGABLM
CC1=NN(c2nc(Nc3ccc(C(=O)[O-])cc3)nc(-n3ccc4ccccc43)n2)C(=O)C1	ZINC000001084238	556750278	/nfs/dbraw/zinc/75/02/78/556750278.db2.gz	YQJAZAGFIWZFQR-UHFFFAOYSA-N	-1	2	427.424	3.370	40	0		IGABLM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O	ZINC000409125860	557298526	/nfs/dbraw/zinc/29/85/26/557298526.db2.gz	DCZXHBWSEMZGJA-FPYGCLRLSA-N	-1	2	437.065	3.038	40	0		IGABLM
Cn1nc(C2CCCC2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1	ZINC000012602149	291360882	/nfs/dbraw/zinc/36/08/82/291360882.db2.gz	LKRZESZXFCQWGF-KSZLIROESA-N	-1	2	434.631	3.296	40	0	biogenic,in-vitro	IGABLM
COc1ccc([C@H]2[C@H]3CCC[C@@H]([C@H](c4ccc(OC)cc4)[N@H+]2C)C32NC(=O)NC2=O)cc1	ZINC000005618546	556060634	/nfs/dbraw/zinc/06/06/34/556060634.db2.gz	VTJKPXDJRWVZTI-VKQCNIHFSA-N	-1	2	435.524	3.426	40	0		IGABLM
O=C([O-])COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000040186727	569249274	/nfs/dbraw/zinc/24/92/74/569249274.db2.gz	WZXUBOJRMLDWFS-DHDCSXOGSA-N	-1	2	445.225	3.419	40	0		IGABLM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc2cccnc21	ZINC000013948174	556343700	/nfs/dbraw/zinc/34/37/00/556343700.db2.gz	SWQLABSUWZQPEL-UHFFFAOYSA-N	-1	2	446.535	3.293	40	0		IGABLM
CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCC(=O)[O-]	ZINC000135983449	556721638	/nfs/dbraw/zinc/72/16/38/556721638.db2.gz	JIEXLLWDFVHKJI-RDONXIGSSA-N	-1	2	433.511	3.380	40	0		IGABLM