smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1ccc(OC)c(C)c1OC)CC2	ZINC000072150422	518996790	/nfs/dbraw/zinc/99/67/90/518996790.db2.gz	YRKDFQHTSDNSOX-SFHVURJKSA-N	1	0	432.517	2.486	10	30		IEEERO
CCOC(=O)O[C@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](/[NH+]=C/N3CCCCCC3)[C@H]2SC1(C)C	ZINC000031297670	563083220	/nfs/dbraw/zinc/08/32/20/563083220.db2.gz	XHKFBADIZIDYBU-YYFDCEKQSA-N	1	0	441.550	2.384	10	30	in-man	IEEERO
NC(=[NH2+])NN=C1C(=O)N(C2CCCCCCC2)C(=O)C1C(=O)NC1CCCCCCC1	ZINC000108794576	557342257	/nfs/dbraw/zinc/34/22/57/557342257.db2.gz	SAGABTFLQRFBNN-DXMZOVICSA-N	1	0	432.569	2.152	10	30		IEEERO
C=CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1ccc(OC)c(C)c1OC)CC2	ZINC000072150423	518997809	/nfs/dbraw/zinc/99/78/09/518997809.db2.gz	YRKDFQHTSDNSOX-GOSISDBHSA-N	1	0	432.517	2.486	10	30		IEEERO
NC(=[NH2+])NN=C1C(=O)N(C2CCCCCCC2)C(=O)C1C(=O)NC1CCCCCCC1	ZINC000108794580	526817463	/nfs/dbraw/zinc/81/74/63/526817463.db2.gz	SAGABTFLQRFBNN-SJOXAGSUSA-N	1	0	432.569	2.152	10	30		IEEERO
COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@H]1CCCN(C(N)=[NH2+])C1	ZINC000013579788	523908221	/nfs/dbraw/zinc/90/82/21/523908221.db2.gz	MRNGXYMKYHNMLV-PKTZIBPZSA-N	1	0	446.551	2.282	10	30	in-vivo	IEEERO
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)N1CCN(CCO)CC1)C2	ZINC000049171957	519347119	/nfs/dbraw/zinc/34/71/19/519347119.db2.gz	ADDKRQKAOUGRFL-GOTSBHOMSA-N	1	0	436.600	2.403	10	30		IEEERO
CCOC(=O)O[C@@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](/[NH+]=C/N3CCCCCC3)[C@H]2SC1(C)C	ZINC000004212049	562942710	/nfs/dbraw/zinc/94/27/10/562942710.db2.gz	XHKFBADIZIDYBU-GEHZSGLKSA-N	1	0	441.550	2.384	10	30	in-man	IEEERO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2	ZINC000091897688	519290068	/nfs/dbraw/zinc/29/00/68/519290068.db2.gz	AOPIDFSZMWBALM-QGZVFWFLSA-N	1	0	429.515	2.382	10	30		IEEERO