smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(CCO)CCBr	1600098	717088229	/nfs/dbraw/zinc/08/82/29/717088229.db2.gz	UCOROTKDCHQADA-UHFFFAOYSA-N	1	0	197.096	0.450	40	50		ACGBRO
C[N+]1(CCCl)CCOCC1	1697681	717089149	/nfs/dbraw/zinc/08/91/49/717089149.db2.gz	ZAUIQPSEXVDUFT-UHFFFAOYSA-N	1	0	164.656	0.702	40	50		ACGBRO
C[N+]1(CCl)CCOCC1	1720069	717089489	/nfs/dbraw/zinc/08/94/89/717089489.db2.gz	QJFORPWQNFEZSW-UHFFFAOYSA-N	1	0	150.629	0.660	40	50		ACGBRO
C/C=C(C)/C=N/NC(=O)C[N+](C)(C)C	1847255	717090170	/nfs/dbraw/zinc/09/01/70/717090170.db2.gz	GCCDQWAJRGEDSW-QHAIXMIYSA-O	1	0	198.290	0.761	40	50		ACGBRO
C[N+](C)(C)CSS(C)(=O)=O	2379177	717094778	/nfs/dbraw/zinc/09/47/78/717094778.db2.gz	NQMYDSJAUWIJEM-UHFFFAOYSA-N	1	0	184.306	0.343	40	50	in-vitro	ACGBRO
C[N+](C)(C)CC(=O)Cl	2562495	717095404	/nfs/dbraw/zinc/09/54/04/717095404.db2.gz	ZSAIZAOUUYCITK-UHFFFAOYSA-N	1	0	136.602	0.458	40	50	in-vitro	ACGBRO
C[N+](C)(C)CCSS(C)(=O)=O	2562407	717095610	/nfs/dbraw/zinc/09/56/10/717095610.db2.gz	VRGHSYHERKHVHD-UHFFFAOYSA-N	1	0	198.333	0.385	40	50	in-vitro	ACGBRO
C/C=C(C)\C=N\NC(=O)C[N+](C)(C)C	5832203	717102939	/nfs/dbraw/zinc/10/29/39/717102939.db2.gz	GCCDQWAJRGEDSW-STGKXFFCSA-O	1	0	198.290	0.761	40	50		ACGBRO
C[N+](C)(CCl)CCO	13822351	717109743	/nfs/dbraw/zinc/10/97/43/717109743.db2.gz	OGWROWKAEICVFM-UHFFFAOYSA-N	1	0	138.618	0.251	40	50		ACGBRO
C/C=C(C)/C=N\NC(=O)C[N+](C)(C)C	31937776	717120519	/nfs/dbraw/zinc/12/05/19/717120519.db2.gz	GCCDQWAJRGEDSW-MLJWIXNLSA-O	1	0	198.290	0.761	40	50		ACGBRO
C/C=C(C)\C=N/NC(=O)C[N+](C)(C)C	31937778	717120628	/nfs/dbraw/zinc/12/06/28/717120628.db2.gz	GCCDQWAJRGEDSW-TVBMFEEWSA-O	1	0	198.290	0.761	40	50		ACGBRO
C[N+](C)(CBr)CCCO	72265868	717133599	/nfs/dbraw/zinc/13/35/99/717133599.db2.gz	DFGPLNZEUQJZCB-UHFFFAOYSA-N	1	0	197.096	0.798	40	50		ACGBRO
C[N+](C)(CCl)CCCO	72265870	717133862	/nfs/dbraw/zinc/13/38/62/717133862.db2.gz	CGDFXYRESJYAHL-UHFFFAOYSA-N	1	0	152.645	0.642	40	50		ACGBRO