smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C	ZINC000503402485	1068435653	/nfs/dbraw/zinc/43/56/53/1068435653.db2.gz	AWTLNUKVHZJXMX-FQEVSTJZSA-N	2	2	456.657	0.504	20	30		JCEDLP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C	ZINC000503402486	1068435412	/nfs/dbraw/zinc/43/54/12/1068435412.db2.gz	AWTLNUKVHZJXMX-HXUWFJFHSA-N	2	2	456.657	0.504	20	30		JCEDLP
CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)CC1	ZINC000503593628	1068445026	/nfs/dbraw/zinc/44/50/26/1068445026.db2.gz	BBMUKQLEXJIHNQ-NRFANRHFSA-N	2	2	474.631	0.103	20	30		JCEDLP
CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)CC1	ZINC000503593628	1068445018	/nfs/dbraw/zinc/44/50/18/1068445018.db2.gz	BBMUKQLEXJIHNQ-NRFANRHFSA-N	2	2	474.631	0.103	20	30		JCEDLP
CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)CC1	ZINC000503593629	1068445060	/nfs/dbraw/zinc/44/50/60/1068445060.db2.gz	BBMUKQLEXJIHNQ-OAQYLSRUSA-N	2	2	474.631	0.103	20	30		JCEDLP
CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)CC1	ZINC000503593629	1068445057	/nfs/dbraw/zinc/44/50/57/1068445057.db2.gz	BBMUKQLEXJIHNQ-OAQYLSRUSA-N	2	2	474.631	0.103	20	30		JCEDLP
Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1S(=O)(=O)NCC#N	ZINC000514344603	1068575315	/nfs/dbraw/zinc/57/53/15/1068575315.db2.gz	BJABSBDEUYRYQF-UHFFFAOYSA-N	2	2	490.630	0.107	20	30		JCEDLP
CC(C)(C)OC(=O)N1CC[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@H]1C#N	ZINC001172977148	1068260563	/nfs/dbraw/zinc/26/05/63/1068260563.db2.gz	AAYJTUJZBJWTGC-FZCLSBEQSA-N	2	2	459.551	0.693	20	30		JCEDLP
CC(C)(C)OC(=O)N1CC[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@H]1C#N	ZINC001172977153	1068260412	/nfs/dbraw/zinc/26/04/12/1068260412.db2.gz	AAYJTUJZBJWTGC-LAQRGFTBSA-N	2	2	459.551	0.693	20	30		JCEDLP
N#Cc1ccc(C(=O)N2CCC(n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)CC2)cc1	ZINC001173428502	1068270099	/nfs/dbraw/zinc/27/00/99/1068270099.db2.gz	JXSDDPNEUZZNLR-SFTDATJTSA-N	2	2	463.542	0.578	20	30		JCEDLP
C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC2)C1=O	ZINC001180782541	1068639685	/nfs/dbraw/zinc/63/96/85/1068639685.db2.gz	HADHQGAZRJWPOJ-KRWDZBQOSA-N	2	2	450.584	0.490	20	30		JCEDLP
C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)CC2)C1=O	ZINC001180782541	1068639678	/nfs/dbraw/zinc/63/96/78/1068639678.db2.gz	HADHQGAZRJWPOJ-KRWDZBQOSA-N	2	2	450.584	0.490	20	30		JCEDLP
C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)CC2)C1=O	ZINC001184376170	1068918720	/nfs/dbraw/zinc/91/87/20/1068918720.db2.gz	GOILIKZHFMPJLE-FQEVSTJZSA-N	2	2	468.558	0.580	20	30		JCEDLP
C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CN(c4cccc(C#N)c4)C(=O)O3)CC2)C1=O	ZINC001184376170	1068918709	/nfs/dbraw/zinc/91/87/09/1068918709.db2.gz	GOILIKZHFMPJLE-FQEVSTJZSA-N	2	2	468.558	0.580	20	30		JCEDLP
C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)CC2)C1=O	ZINC001184376173	1068918990	/nfs/dbraw/zinc/91/89/90/1068918990.db2.gz	GOILIKZHFMPJLE-HXUWFJFHSA-N	2	2	468.558	0.580	20	30		JCEDLP
C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CN(c4cccc(C#N)c4)C(=O)O3)CC2)C1=O	ZINC001184376173	1068918978	/nfs/dbraw/zinc/91/89/78/1068918978.db2.gz	GOILIKZHFMPJLE-HXUWFJFHSA-N	2	2	468.558	0.580	20	30		JCEDLP
C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)CC2)C1=O	ZINC001184854938	1068947217	/nfs/dbraw/zinc/94/72/17/1068947217.db2.gz	YESUJOVDKDHUAV-UHFFFAOYSA-N	2	2	464.611	0.834	20	30		JCEDLP
C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN(CCC#N)C(=O)OC(C)(C)C)CC2)C1=O	ZINC001184854938	1068947200	/nfs/dbraw/zinc/94/72/00/1068947200.db2.gz	YESUJOVDKDHUAV-UHFFFAOYSA-N	2	2	464.611	0.834	20	30		JCEDLP