smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nn1nc2c(n1)C(=O)c1nn(NC(C)=O)nc1C2=O	ZINC000003151463	372764032	/nfs/dbraw/zinc/76/40/32/372764032.db2.gz	UPGLWFQKZQQNOD-UHFFFAOYSA-N	0	0	304.226	-2.175	10	10		DACERN
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N)cc1	ZINC000022048703	182306277	/nfs/dbraw/zinc/30/62/77/182306277.db2.gz	RWZITXGZJXXMRL-XVIXHAIJSA-N	0	0	312.322	-1.409	10	10		DACERN
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N)cc1	ZINC000090728735	185311687	/nfs/dbraw/zinc/31/16/87/185311687.db2.gz	RWZITXGZJXXMRL-MBJXGIAVSA-N	0	0	312.322	-1.409	10	10		DACERN
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@H](CO)O[C@@H]1Oc1ccc(N)cc1	ZINC000022048694	372823225	/nfs/dbraw/zinc/82/32/25/372823225.db2.gz	RWZITXGZJXXMRL-VJTDZRGJSA-N	0	0	312.322	-1.409	10	10		DACERN
[N-]=[N+]=N[C@]1(O)C[C@H](n2cnc3c2nc(N)[nH]c3=O)O[C@@H]1CO	ZINC000091365386	193046786	/nfs/dbraw/zinc/04/67/86/193046786.db2.gz	VCTHBJXYQYAJGC-INWPNSDISA-N	0	0	308.258	-1.020	10	10		DACERN
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N)cc1	ZINC000575416085	373284109	/nfs/dbraw/zinc/28/41/09/373284109.db2.gz	RWZITXGZJXXMRL-XGFWRYKXSA-N	0	0	312.322	-1.409	10	10		DACERN
CC(=O)N[C@H]1[C@@H](Oc2ccc(N)cc2)O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000106381092	373631346	/nfs/dbraw/zinc/63/13/46/373631346.db2.gz	RWZITXGZJXXMRL-NDKCEZKHSA-N	0	0	312.322	-1.409	10	10		DACERN
[N-]=[N+]=NC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@@H]1O	ZINC000038580951	183003768	/nfs/dbraw/zinc/00/37/68/183003768.db2.gz	IURRXTYHKBREQT-UUOKFMHZSA-N	0	0	308.258	-1.369	10	10		DACERN
CC(=O)O[C@](C(C)=O)(C(=O)C(C)=O)[C@](O)(C(C)=O)[C@@H](O)CO	ZINC000066351861	372820722	/nfs/dbraw/zinc/82/07/22/372820722.db2.gz	SKWDYLGAVSPPPJ-WCFLWFBJSA-N	0	0	318.278	-2.291	10	10		DACERN
CC(=O)N[C@H]1[C@@H](Oc2ccc(N)cc2)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000106381093	373630451	/nfs/dbraw/zinc/63/04/51/373630451.db2.gz	RWZITXGZJXXMRL-DGTMBMJNSA-N	0	0	312.322	-1.409	10	10		DACERN
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@H]1Oc1ccc(N)cc1	ZINC000022048712	372824471	/nfs/dbraw/zinc/82/44/71/372824471.db2.gz	RWZITXGZJXXMRL-ODXJTPSBSA-N	0	0	312.322	-1.409	10	10		DACERN
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1Oc1ccc(N)cc1	ZINC000575416084	373282789	/nfs/dbraw/zinc/28/27/89/373282789.db2.gz	RWZITXGZJXXMRL-MQLXINIDSA-N	0	0	312.322	-1.409	10	10		DACERN
CC(=O)N[C@@H]1[C@@H](Oc2ccc(N)cc2)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000106381098	373631419	/nfs/dbraw/zinc/63/14/19/373631419.db2.gz	RWZITXGZJXXMRL-QMVSFRDZSA-N	0	0	312.322	-1.409	10	10		DACERN
CC(=O)N[C@@H]1[C@@H](Oc2ccc(N)cc2)O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000106381095	373630854	/nfs/dbraw/zinc/63/08/54/373630854.db2.gz	RWZITXGZJXXMRL-PEDHHIEDSA-N	0	0	312.322	-1.409	10	10		DACERN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Oc1ccc(N)cc1	ZINC000005138090	181208610	/nfs/dbraw/zinc/20/86/10/181208610.db2.gz	RWZITXGZJXXMRL-KSTCHIGDSA-N	0	0	312.322	-1.409	10	10		DACERN