smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc(/C=C2\CCCCC/C(=C/c3ccc(C(N)=[NH2+])cc3)C2=O)cc1	ZINC000034633574	581097319	/nfs/dbraw/zinc/09/73/19/581097319.db2.gz	SCZBXBBBMCBNSK-TVGQLCNQSA-N	2	0	386.499	4.255	1	30		GIEFRP
CCCCCCCCNC1=[NH+]C(C)(C)[NH+]=C(NCc2ccc(Cl)cc2)N1	ZINC000049867237	205130841	/nfs/dbraw/zinc/13/08/41/205130841.db2.gz	TWFYQJUATOXDBT-UHFFFAOYSA-N	2	0	377.964	4.431	1	30		GIEFRP
CC[NH+](CC)CCn1nc2c3c1ccc(/[NH+]=C/N(C)C)c3n(C)c1ccccc21	ZINC000053006947	205135259	/nfs/dbraw/zinc/13/52/59/205135259.db2.gz	YECIDUNOEORODA-LFVJCYFKSA-N	2	0	390.535	4.244	1	30		GIEFRP
CCN(CC)c1ccc(/C=[NH+]/N(C[C@@H](O)C[NH+](CC)CC)c2ccccc2)cc1	ZINC000084731303	208098062	/nfs/dbraw/zinc/09/80/62/208098062.db2.gz	ZFWVWEXZMANBAH-XSICDPOBSA-N	2	0	396.579	4.076	1	30		GIEFRP
C[NH+](C)CC(C)(C)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)C[NH+](C)C)cc1	ZINC000001613981	209334285	/nfs/dbraw/zinc/33/42/85/209334285.db2.gz	SYYVYDMGUJJORD-WXUKJITCSA-N	2	0	384.564	4.027	1	30		GIEFRP
Cc1cc[n+](CCC#Cc2ccc(C#CCC[n+]3ccc(C)c(C)c3)cc2)cc1C	ZINC000045367183	212041939	/nfs/dbraw/zinc/04/19/39/212041939.db2.gz	IEQNDLPBIQGCJG-UHFFFAOYSA-N	2	0	394.562	4.379	1	30		GIEFRP
C=CC[N@@H+]1C[C@H](C)N(/C(=[NH+]\c2ccccc2)c2ccc(C(=O)OC)cc2)C[C@H]1C	ZINC000100800586	211393058	/nfs/dbraw/zinc/39/30/58/211393058.db2.gz	BFYGPPOVKYGOCL-RKYDJMFTSA-N	2	0	391.515	4.132	1	30		GIEFRP
Cc1cc(C)c[n+](CCC#Cc2ccc(C#CCC[n+]3cc(C)cc(C)c3)cc2)c1	ZINC000045384653	212042953	/nfs/dbraw/zinc/04/29/53/212042953.db2.gz	HGXVWIWHXRNRSK-UHFFFAOYSA-N	2	0	394.562	4.379	1	30		GIEFRP
CCCCCCCCCCCC[N+](C)(C)CCN(C)CCN(C)CC[NH+](C)C	ZINC000299840794	717181350	/nfs/dbraw/zinc/18/13/50/717181350.db2.gz	WEWGFMARQASZIU-UHFFFAOYSA-N	2	0	399.732	4.409	1	30		GIEFRP
CCCCCCCCNC1=[NH+]C(C)(C)[NH+]=C(NCc2ccccc2Cl)N1	ZINC000049867239	222003193	/nfs/dbraw/zinc/00/31/93/222003193.db2.gz	SXKUUEPKQJLBSG-UHFFFAOYSA-N	2	0	377.964	4.431	1	30		GIEFRP
NC(=[NH2+])c1ccc(/C=C2/CCCCC/C(=C/c3ccc(C(N)=[NH2+])cc3)C2=O)cc1	ZINC000038141176	581101096	/nfs/dbraw/zinc/10/10/96/581101096.db2.gz	SCZBXBBBMCBNSK-SIBCGJTDSA-N	2	0	386.499	4.255	1	30		GIEFRP