smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(C(N)=O)cc1	ZINC000073293113	222269690	/nfs/dbraw/zinc/26/96/90/222269690.db2.gz	AXVMCFHYRKIKEV-UHFFFAOYSA-N	-1	0	391.427	2.668	1	10		GFCFRM
O=c1oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2c2cc(O)c([O-])cc12	ZINC000014589299	207025348	/nfs/dbraw/zinc/02/53/48/207025348.db2.gz	KKEIHFGUYDHUBS-HNQUOIGGSA-N	-1	0	380.308	2.892	1	10	biogenic,in-vitro	GFCFRM
CC(=O)N1N=C(c2c([O-])ccc3c(C)cc(=O)oc32)C[C@@H]1c1ccc(O)c(O)c1	ZINC000084728592	211174822	/nfs/dbraw/zinc/17/48/22/211174822.db2.gz	PKFDMPCBBRPKOD-OAHLLOKOSA-N	-1	0	394.383	2.916	1	10		GFCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000008397881	221040008	/nfs/dbraw/zinc/04/00/08/221040008.db2.gz	KOAXTNKKEUXCCW-UZXNGNGQSA-N	-1	0	375.197	2.816	1	10		GFCFRM
O=C(OCc1coc(=O)o1)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl	ZINC000049073043	581096419	/nfs/dbraw/zinc/09/64/19/581096419.db2.gz	PJOJRTXYGCBIQQ-UHFFFAOYSA-N	-1	0	387.709	2.777	1	10		GFCFRM
O=c1cc(-c2ccccc2)oc2c(CN3CCC(O)CC3)c([O-])c(O)c(O)c12	ZINC000072123610	222209481	/nfs/dbraw/zinc/20/94/81/222209481.db2.gz	HERQHVGZVXIZFB-UHFFFAOYSA-N	-1	0	383.400	2.534	1	10		GFCFRM
CC(=O)N1N=C(c2c([O-])ccc3c(C)cc(=O)oc32)C[C@@H]1c1ccc(O)cc1O	ZINC000084704446	205398958	/nfs/dbraw/zinc/39/89/58/205398958.db2.gz	LBAKDISBUNPJPD-MRXNPFEDSA-N	-1	0	394.383	2.916	1	10		GFCFRM
COc1cc(OC)c(C(=O)c2ccccc2F)c([O-])c1CN1CCOCC1	ZINC000049073435	205125186	/nfs/dbraw/zinc/12/51/86/205125186.db2.gz	UZDZWAOQFINVAM-UHFFFAOYSA-N	-1	0	375.396	2.612	1	10		GFCFRM
Nc1c(S(=O)(=O)[O-])cc(NC2CCCC2)c2c1C(=O)c1ccccc1C2=O	ZINC000045369400	205095420	/nfs/dbraw/zinc/09/54/20/205095420.db2.gz	IJIFYLLIFLAPHW-UHFFFAOYSA-N	-1	0	386.429	2.645	1	10		GFCFRM
COc1cc(OC)c(C(=O)c2cccc(F)c2)c([O-])c1CN1CCN(C)CC1	ZINC000049072645	205125705	/nfs/dbraw/zinc/12/57/05/205125705.db2.gz	OGGOGASSIIAXJW-UHFFFAOYSA-N	-1	0	388.439	2.527	1	10		GFCFRM
CSC[C@H](NC=C1C(=O)N(c2ccccc2)N=C1c1ccccc1)C(=O)[O-]	ZINC000072176821	205318116	/nfs/dbraw/zinc/31/81/16/205318116.db2.gz	KBLIKHPFWXRYOE-WBILKINKSA-N	-1	0	381.457	2.727	1	10		GFCFRM
CC(=O)N1N=C(c2c([O-])ccc3c(C)cc(=O)oc32)C[C@H]1c1ccc(O)cc1O	ZINC000084704442	205399127	/nfs/dbraw/zinc/39/91/27/205399127.db2.gz	LBAKDISBUNPJPD-INIZCTEOSA-N	-1	0	394.383	2.916	1	10		GFCFRM
O=C([O-])CCCCCN1C(=O)[C@@H]([C@@H]2C(=O)Nc3ccccc32)SC1=S	ZINC000101153164	208387970	/nfs/dbraw/zinc/38/79/70/208387970.db2.gz	CDGWFYDPJMYGGA-ZIAGYGMSSA-N	-1	0	378.475	2.596	1	10		GFCFRM
CC(=O)N1N=C(c2c([O-])ccc3c(C)cc(=O)oc32)C[C@H]1c1ccc(O)c(O)c1	ZINC000084728583	208097567	/nfs/dbraw/zinc/09/75/67/208097567.db2.gz	PKFDMPCBBRPKOD-HNNXBMFYSA-N	-1	0	394.383	2.916	1	10		GFCFRM
CN1CCN(C)c2cc(Cn3cc(C(=O)[O-])c(=O)c4c(F)cccc43)ccc21	ZINC000071332261	211046482	/nfs/dbraw/zinc/04/64/82/211046482.db2.gz	FUONPAINKKGZNR-UHFFFAOYSA-N	-1	0	381.407	2.773	1	10		GFCFRM
O=C1/C(=C/c2ccccc2F)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000013680689	210078616	/nfs/dbraw/zinc/07/86/16/210078616.db2.gz	KLJROENVNSBZTR-UVTDQMKNSA-N	-1	0	394.474	2.920	1	10		GFCFRM
COc1cc2oc(-c3cc(O)c(OC)c(OC)c3)c(OC)c([O-])c-2c(=O)c1O	ZINC000003983880	560193031	/nfs/dbraw/zinc/19/30/31/560193031.db2.gz	DTODSGVQMWBBNE-UHFFFAOYSA-N	-1	0	390.344	2.611	1	10	biogenic,in-vitro	GFCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000102737091	222485148	/nfs/dbraw/zinc/48/51/48/222485148.db2.gz	KOAXTNKKEUXCCW-VBYIKQEJSA-N	-1	0	375.197	2.816	1	10		GFCFRM
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3ccc(N)nc3N)cc2)s1	ZINC000256005992	212138032	/nfs/dbraw/zinc/13/80/32/212138032.db2.gz	VCDGNEYCVAHPRG-UHFFFAOYSA-N	-1	0	390.454	2.622	3	10		GFCFRM
CC[C@](Cc1ccc(O)c(O)c1)(OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000085510848	291120101	/nfs/dbraw/zinc/12/01/01/291120101.db2.gz	XSVUUYKNINAWHI-MUPIXQSSSA-N	-1	0	388.372	2.542	1	10	biogenic,in-vitro	GFCFRM