smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc(C[NH2+]CC3(c4cccc(Br)c4)CCOCC3)cc2F)CC1	ZINC001318338658	1067022897	/nfs/dbraw/zinc/02/28/97/1067022897.db2.gz	BWEZGPYBAPZJEW-UHFFFAOYSA-N	2	1	476.434	4.178	20	10		JICDMP
CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC001321654310	1067190943	/nfs/dbraw/zinc/19/09/43/1067190943.db2.gz	QYWFMOSNBSTPLI-VWLOTQADSA-N	2	1	467.633	4.075	20	10		JICDMP
C[NH+]1CCN(c2ccc(C[NH2+]CC3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2F)CC1	ZINC001318419244	1067041087	/nfs/dbraw/zinc/04/10/87/1067041087.db2.gz	XKCZYGCJWGAELJ-UHFFFAOYSA-N	2	1	465.535	4.434	20	10		JICDMP
CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)ccn2)cc1	ZINC001318629519	1067057890	/nfs/dbraw/zinc/05/78/90/1067057890.db2.gz	FGNNRZNHIHYYQS-UHFFFAOYSA-N	2	1	450.558	4.453	20	10		JICDMP
CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1	ZINC001321652760	1067190040	/nfs/dbraw/zinc/19/00/40/1067190040.db2.gz	DJVHXTOODFMKMX-UHFFFAOYSA-N	2	1	450.558	4.453	20	10		JICDMP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccncc3)cc2F)CC1	ZINC001338757069	1066571453	/nfs/dbraw/zinc/57/14/53/1066571453.db2.gz	ZWFVKOFRVDNQOT-UHFFFAOYSA-N	2	1	456.569	4.115	20	10		JICDMP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(NC(=O)c4cccc(F)c4)c3)cc2F)CC1	ZINC001338750894	1066570749	/nfs/dbraw/zinc/57/07/49/1066570749.db2.gz	GNKGEKRRVUHNIM-UHFFFAOYSA-N	2	1	450.533	4.259	20	10		JICDMP
COc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)ccc1OCc1ccncc1	ZINC001318346199	1067026250	/nfs/dbraw/zinc/02/62/50/1067026250.db2.gz	CUCPLELXCPDLCH-FQEVSTJZSA-N	2	1	464.585	4.411	20	10		JICDMP
CCCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC001322610870	1067305964	/nfs/dbraw/zinc/30/59/64/1067305964.db2.gz	MAAJEONYPDZXLM-AREMUKBSSA-N	2	1	481.660	4.465	20	10		JICDMP
CC[C@H](C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC001338754970	1066570500	/nfs/dbraw/zinc/57/05/00/1066570500.db2.gz	DFPBMSXBFMVPRS-KDYSTLNUSA-N	2	1	481.660	4.321	20	10		JICDMP
CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC001338754967	1066570680	/nfs/dbraw/zinc/57/06/80/1066570680.db2.gz	DFPBMSXBFMVPRS-JIPXPUAJSA-N	2	1	481.660	4.321	20	10		JICDMP
COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)ccc1OCc1ccncc1	ZINC001318346201	1067025952	/nfs/dbraw/zinc/02/59/52/1067025952.db2.gz	CUCPLELXCPDLCH-HXUWFJFHSA-N	2	1	464.585	4.411	20	10		JICDMP
CC[C@H](C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC001338754960	1066570777	/nfs/dbraw/zinc/57/07/77/1066570777.db2.gz	DFPBMSXBFMVPRS-IDISGSTGSA-N	2	1	481.660	4.321	20	10		JICDMP
CC[C@@H](C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC001338754975	1066571002	/nfs/dbraw/zinc/57/10/02/1066571002.db2.gz	DFPBMSXBFMVPRS-ZBLYBZFDSA-N	2	1	481.660	4.321	20	10		JICDMP
CCCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC001322610871	1067305752	/nfs/dbraw/zinc/30/57/52/1067305752.db2.gz	MAAJEONYPDZXLM-SANMLTNESA-N	2	1	481.660	4.465	20	10		JICDMP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCN(c4ccccc4)CC3)cc2F)CC1	ZINC001318339708	1067023279	/nfs/dbraw/zinc/02/32/79/1067023279.db2.gz	VELIPFGLQXEXHG-UHFFFAOYSA-N	3	1	487.667	4.190	20	10		JICDMP
CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC001321654309	1067191017	/nfs/dbraw/zinc/19/10/17/1067191017.db2.gz	QYWFMOSNBSTPLI-RUZDIDTESA-N	2	1	467.633	4.075	20	10		JICDMP
C[NH+]1CCN(c2ccc(C[NH2+]CC3(c4ccc(Br)cc4)CCOCC3)cc2F)CC1	ZINC001322610358	1067305883	/nfs/dbraw/zinc/30/58/83/1067305883.db2.gz	DSOTUGZSTYBACX-UHFFFAOYSA-N	2	1	476.434	4.178	20	10		JICDMP
Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)cc2)cc1	ZINC001318370091	1067032887	/nfs/dbraw/zinc/03/28/87/1067032887.db2.gz	ACAHRABITUGFMT-UHFFFAOYSA-N	2	1	490.623	4.236	20	10		JICDMP