smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNC34CN5CN(CN(C5)C3)C4)C2=O)c1	ZINC000000996151	570744340	/nfs/dbraw/zinc/74/43/40/570744340.db2.gz	IQHCQDQPEDQEGN-GIDUJCDVSA-N	-1	0	382.424	-0.391	50	10		GBCARM
Cn1c(=O)cc(NNC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)n(C)c1=O	ZINC000002414138	203943147	/nfs/dbraw/zinc/94/31/47/203943147.db2.gz	BNHIWSMTFZMJSZ-FMIVXFBMSA-N	-1	0	398.379	-0.633	50	10		GBCARM
CCn1c([O-])c(C=C2C(=O)N(CC)C(=O)N(CC)C2=O)c(=O)n(CC)c1=O	ZINC000004375894	570372243	/nfs/dbraw/zinc/37/22/43/570372243.db2.gz	VVBRTOUFHYGBAS-UHFFFAOYSA-N	-1	0	378.385	-0.031	50	10		GBCARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNC(CO)(CO)CO	ZINC000006198216	570325520	/nfs/dbraw/zinc/32/55/20/570325520.db2.gz	HIGOXROPBWWVAN-RIYZIHGNSA-N	-1	0	385.376	-0.388	50	10		GBCARM
O=C1[N-]C(=O)C(=CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1	ZINC000006590085	570487009	/nfs/dbraw/zinc/48/70/09/570487009.db2.gz	ICWVZUYEGYSVML-UHFFFAOYSA-N	-1	0	398.828	-0.104	50	10		GBCARM
Cn1c2nc(N=NNc3ccc(S(N)(=O)=O)cc3)[n-]c2c(=O)n(C)c1=O	ZINC000008694806	221049945	/nfs/dbraw/zinc/04/99/45/221049945.db2.gz	AACNXZKQHFYFKZ-UHFFFAOYSA-N	-1	0	378.374	-0.282	50	10		GBCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)N1CCOCC1	ZINC000009234422	209819424	/nfs/dbraw/zinc/81/94/24/209819424.db2.gz	YFCZIPIULSXUQQ-UHFFFAOYSA-N	-1	0	389.364	-0.318	50	10		GBCARM
CN1C(=O)C(=CN[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])C(=O)N(C)C1=O	ZINC000020411124	221485650	/nfs/dbraw/zinc/48/56/50/221485650.db2.gz	SWFXBXZUKIQEGK-DNSOKLHBSA-N	-1	0	382.398	-0.974	50	10	biogenic	GBCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNC34CN5CN(CN(C5)C3)C4)C2=O)c1	ZINC000095108943	136177762	/nfs/dbraw/zinc/17/77/62/136177762.db2.gz	IQHCQDQPEDQEGN-UUASQNMZSA-N	-1	0	382.424	-0.391	50	10		GBCARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNC(CO)(CO)CO	ZINC000100465189	136189208	/nfs/dbraw/zinc/18/92/08/136189208.db2.gz	HIGOXROPBWWVAN-ZSOIEALJSA-N	-1	0	385.376	-0.388	50	10		GBCARM