smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C#CC[NH+]2CCCCC2)nc3N)[C@H](O)[C@@H]1O	ZINC000012405847	562982000	/nfs/dbraw/zinc/98/20/00/562982000.db2.gz	PBRBHMCLZQGNFS-KSVNGYGVSA-N	1	1	429.481	-0.999	1	30		IBEFMO
COc1cc2[nH+]c(N3CCN(C(=O)c4no[n+]([O-])c4C#N)CC3)nc(N)c2cc1OC	ZINC000013744945	563003802	/nfs/dbraw/zinc/00/38/02/563003802.db2.gz	ANVHOPIUGOZJMC-UHFFFAOYSA-N	1	1	426.393	-0.315	1	30		IBEFMO
COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)C[C@@H]2C(=O)NO)cc1	ZINC000013804733	563008303	/nfs/dbraw/zinc/00/83/03/563008303.db2.gz	VPTHOUBPDJAAER-MRXNPFEDSA-N	1	1	441.510	-0.757	1	30		IBEFMO
COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)C[C@H]2C(=O)NO)cc1	ZINC000013804735	563008338	/nfs/dbraw/zinc/00/83/38/563008338.db2.gz	VPTHOUBPDJAAER-INIZCTEOSA-N	1	1	441.510	-0.757	1	30		IBEFMO
NS(=O)(=O)c1ccc(NC(=S)NNCCCN2CCN(CCC[NH3+])CC2)cc1	ZINC000028131018	563051369	/nfs/dbraw/zinc/05/13/69/563051369.db2.gz	OSLUBXRYWCDYPG-UHFFFAOYSA-N	1	1	429.616	-0.107	1	30	in-vivo	IBEFMO
CCNC(=O)[C@H]1O[C@H](n2cnc3c2nc(C#CC[NH+]2CCCCC2)nc3N)[C@H](O)[C@@H]1O	ZINC000048998063	563135018	/nfs/dbraw/zinc/13/50/18/563135018.db2.gz	PBRBHMCLZQGNFS-QOIOWGMHSA-N	1	1	429.481	-0.999	1	30		IBEFMO
N#Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCO[NH+]=C(N)N	ZINC000049047530	563136665	/nfs/dbraw/zinc/13/66/65/563136665.db2.gz	NIKUFUKVJGORCK-UHFFFAOYSA-N	1	1	434.407	-0.150	1	30		IBEFMO
C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C[N@H+](C)[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2CC1	ZINC000053229177	563141262	/nfs/dbraw/zinc/14/12/62/563141262.db2.gz	MNAWDQMMWDFOOT-GENZPFFZSA-N	1	1	441.521	-0.446	1	30		IBEFMO
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NO	ZINC000084731082	563178552	/nfs/dbraw/zinc/17/85/52/563178552.db2.gz	DRLJMSOIEJVVCY-ULQDDVLXSA-N	1	1	449.556	-0.659	1	30		IBEFMO