smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#Cc1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1	ZINC000015068585	518359174	/nfs/dbraw/zinc/35/91/74/518359174.db2.gz	FUJFYRFGPZLTOV-UHFFFAOYSA-N	2	0	364.508	4.194	50	30		FIEARP
C[C@H](/[NH+]=C/c1ccc(N(C)C)cc1)[C@H](C)/[NH+]=C/c1ccc(N(C)C)cc1	ZINC000002252306	204030680	/nfs/dbraw/zinc/03/06/80/204030680.db2.gz	CBTYNBOPINAJTN-ASXISLTGSA-N	2	0	350.510	4.134	50	30		FIEARP
C[C@@H](/[NH+]=C/c1ccc(N(C)C)cc1)[C@@H](C)/[NH+]=C/c1ccc(N(C)C)cc1	ZINC000004819541	207051907	/nfs/dbraw/zinc/05/19/07/207051907.db2.gz	CBTYNBOPINAJTN-GEEZNIDSSA-N	2	0	350.510	4.134	50	30		FIEARP
C=C(C)C[N@@H+](CC)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1	ZINC000012701377	210141833	/nfs/dbraw/zinc/14/18/33/210141833.db2.gz	LNBUGBSHIIICAN-JOCHJYFZSA-N	2	0	374.569	4.089	50	30		FIEARP
c1ccc(C[NH+]2CCC(=NN=C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000210797597	570450317	/nfs/dbraw/zinc/45/03/17/570450317.db2.gz	IJHXNNSUUUOGAK-UHFFFAOYSA-N	2	0	374.532	4.375	50	30		FIEARP
CC(C)/N=C(/c1cccs1)N(Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000102771585	1089958840	/nfs/dbraw/zinc/95/88/40/1089958840.db2.gz	WPTINNJWKGVMQE-DQRAZIAOSA-N	2	0	355.551	4.500	50	30		FIEARP
C=C(C)C[N@@H+](CC)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1	ZINC000012701370	220017635	/nfs/dbraw/zinc/01/76/35/220017635.db2.gz	LNBUGBSHIIICAN-QFIPXVFZSA-N	2	0	374.569	4.089	50	30		FIEARP
C[C@@H](/[NH+]=C/c1ccc(N(C)C)cc1)[C@H](C)/[NH+]=C/c1ccc(N(C)C)cc1	ZINC000013785783	220095120	/nfs/dbraw/zinc/09/51/20/220095120.db2.gz	CBTYNBOPINAJTN-QGMCCPSCSA-N	2	0	350.510	4.134	50	30		FIEARP
N#CC1(c2ccccc2)CC[NH+](Cc2cc(C[NH+]3CCCC3)cs2)CC1	ZINC000215365419	526439372	/nfs/dbraw/zinc/43/93/72/526439372.db2.gz	YXJUWJZTHYWIHQ-UHFFFAOYSA-N	2	0	365.546	4.401	50	30		FIEARP