smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)c2c1CC[NH2+]C2	ZINC001164682575	719605673	/nfs/dbraw/zinc/60/56/73/719605673.db2.gz	DYRPEIBBBGMJQZ-UHFFFAOYSA-N	2	1	429.302	3.540	20	30		IHEDMP
CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)c2c1CC[NH2+]C2	ZINC001164682575	719605684	/nfs/dbraw/zinc/60/56/84/719605684.db2.gz	DYRPEIBBBGMJQZ-UHFFFAOYSA-N	2	1	429.302	3.540	20	30		IHEDMP
Cc1[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1CC#N	ZINC001164684382	719678568	/nfs/dbraw/zinc/67/85/68/719678568.db2.gz	TYFLEIUNRUFVOD-QFIPXVFZSA-N	2	1	445.611	3.550	20	30		IHEDMP
Cc1ccc(CC#N)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1	ZINC001164685694	719678544	/nfs/dbraw/zinc/67/85/44/719678544.db2.gz	VTGADEQFEJALMW-JOCHJYFZSA-N	2	1	445.611	3.550	20	30		IHEDMP
Cc1ccc(CC#N)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1	ZINC001164685698	719678248	/nfs/dbraw/zinc/67/82/48/719678248.db2.gz	VTGADEQFEJALMW-QFIPXVFZSA-N	2	1	445.611	3.550	20	30		IHEDMP
Cc1c(F)ccc2nc(Cl)c(C#N)c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c12	ZINC001164680955	719654135	/nfs/dbraw/zinc/65/41/35/719654135.db2.gz	JTGGLEODJOROIC-UHFFFAOYSA-N	2	1	426.927	3.879	20	30		IHEDMP
Cc1c(F)ccc2nc(Cl)c(C#N)c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c12	ZINC001164680955	719654149	/nfs/dbraw/zinc/65/41/49/719654149.db2.gz	JTGGLEODJOROIC-UHFFFAOYSA-N	2	1	426.927	3.879	20	30		IHEDMP
Cc1[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1CC#N	ZINC001164684376	719678744	/nfs/dbraw/zinc/67/87/44/719678744.db2.gz	TYFLEIUNRUFVOD-JOCHJYFZSA-N	2	1	445.611	3.550	20	30		IHEDMP