smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC(/C=N/NC(=O)C[N+](C)(C)C)=C\c1ccccc1	ZINC000017002549	717112384	/nfs/dbraw/zinc/11/23/84/717112384.db2.gz	JZTBNRMHHZUUBL-ATHDRGGISA-O	1	0	316.469	3.459	40	50		DGGBRO
CCCCCC(=C\c1ccccc1)/C=N\NC(=O)C[N+](C)(C)C	ZINC000031937803	717120570	/nfs/dbraw/zinc/12/05/70/717120570.db2.gz	JZTBNRMHHZUUBL-NAAIVWGJSA-O	1	0	316.469	3.459	40	50		DGGBRO
Cc1ccc(C[N+](C)(CCCl)CCCl)c([N+](=O)[O-])c1	ZINC000001637824	717088558	/nfs/dbraw/zinc/08/85/58/717088558.db2.gz	OOKAMXJWIPWPQB-UHFFFAOYSA-N	1	0	306.213	3.327	40	50		DGGBRO
CC[N+](CC)(CC)C[C@@H](Br)CBr	ZINC000003172209	717095299	/nfs/dbraw/zinc/09/52/99/717095299.db2.gz	ZGQJKROTWVHLFW-VIFPVBQESA-N	1	0	302.074	3.021	40	50		DGGBRO
Cc1cccc(C[N+](C)(CCCl)CCCl)c1[N+](=O)[O-]	ZINC000001636822	717088307	/nfs/dbraw/zinc/08/83/07/717088307.db2.gz	PTBGNDTVMGRZJY-UHFFFAOYSA-N	1	0	306.213	3.327	40	50		DGGBRO
CCCCCC(/C=N\NC(=O)C[N+](C)(C)C)=C/c1ccccc1	ZINC000031937804	717120502	/nfs/dbraw/zinc/12/05/02/717120502.db2.gz	JZTBNRMHHZUUBL-WNPPYXCZSA-O	1	0	316.469	3.459	40	50		DGGBRO
COc1ccc([N+](=O)[O-])c(C[N+](C)(CCCl)CCCl)c1	ZINC000001638770	717088415	/nfs/dbraw/zinc/08/84/15/717088415.db2.gz	CPFIDHYQXYXFGJ-UHFFFAOYSA-N	1	0	322.212	3.028	40	50		DGGBRO
C/C=C1\C[N+]2(C)CC[C@]34c5ccccc5N(C)C3=C(C=O)[C@H]1C[C@@H]42	ZINC000032124376	717120352	/nfs/dbraw/zinc/12/03/52/717120352.db2.gz	LUFYNCYNXSSUJL-KYEDHNSDSA-N	1	0	321.444	3.026	40	50		DGGBRO
CC[N+](CC)(CC)C[C@H](Br)CBr	ZINC000003172207	717095229	/nfs/dbraw/zinc/09/52/29/717095229.db2.gz	ZGQJKROTWVHLFW-SECBINFHSA-N	1	0	302.074	3.021	40	50		DGGBRO
C[N+](C)(C[C@@H](Br)CBr)c1ccccc1	ZINC000000028140	717087804	/nfs/dbraw/zinc/08/78/04/717087804.db2.gz	XOICMUILGTZKGB-JTQLQIEISA-N	1	0	322.064	3.412	40	50		DGGBRO
C/C=C1/C[N+]2(CC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000012661372	717107061	/nfs/dbraw/zinc/10/70/61/717107061.db2.gz	IPBVRFAPNWZMGD-BALOXPQGSA-O	1	0	321.444	3.392	40	50		DGGBRO
Cc1ccc([N+](=O)[O-])c(C[N+](C)(CCCl)CCCl)c1	ZINC000001636821	717088494	/nfs/dbraw/zinc/08/84/94/717088494.db2.gz	RQAAADJSGGNADM-UHFFFAOYSA-N	1	0	306.213	3.327	40	50		DGGBRO
CCCCCC(/C=N/NC(=O)C[N+](C)(C)C)=C/c1ccccc1	ZINC000001692286	717089553	/nfs/dbraw/zinc/08/95/53/717089553.db2.gz	JZTBNRMHHZUUBL-FTUXADHQSA-O	1	0	316.469	3.459	40	50		DGGBRO
C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000004245688	717097511	/nfs/dbraw/zinc/09/75/11/717097511.db2.gz	ZEMNDQUOMWGCAZ-JMWAPNIQSA-O	1	0	307.417	3.002	40	50	in-vitro	DGGBRO
COc1cccc(C[N+](C)(CCCl)CCCl)c1[N+](=O)[O-]	ZINC000001638769	717088326	/nfs/dbraw/zinc/08/83/26/717088326.db2.gz	HPSKJZKNKVXTMD-UHFFFAOYSA-N	1	0	322.212	3.028	40	50		DGGBRO
C[N+](C)(C[C@H](Br)CBr)c1ccccc1	ZINC000000028139	717087912	/nfs/dbraw/zinc/08/79/12/717087912.db2.gz	XOICMUILGTZKGB-SNVBAGLBSA-N	1	0	322.064	3.412	40	50		DGGBRO
CC[N+](C)(C)CCOP(=O)(c1ccccc1)c1ccccc1	ZINC000001600173	717088716	/nfs/dbraw/zinc/08/87/16/717088716.db2.gz	RWLUBEIWYLNRLA-UHFFFAOYSA-N	1	0	318.377	3.028	40	50		DGGBRO
C/C=C1/C[N+]2(C)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000003999826	717097536	/nfs/dbraw/zinc/09/75/36/717097536.db2.gz	ZEMNDQUOMWGCAZ-VOYILNJRSA-O	1	0	307.417	3.002	40	50	in-vitro	DGGBRO