smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNc1nc(N2CC[NH+](C3c4ccccc4CCc4ccccc43)CC2)nc(NCC=C)[nH+]1	ZINC000013650717	562981233	/nfs/dbraw/zinc/98/12/33/562981233.db2.gz	VTTDHAIARPLXRT-UHFFFAOYSA-N	2	1	467.621	4.078	1	30		JIEFMP
C=CCNc1nc(N2CCC([NH2+]CC(c3ccccc3)c3ccccc3)CC2)nc(NCC=C)[nH+]1	ZINC000013650729	562981278	/nfs/dbraw/zinc/98/12/78/562981278.db2.gz	NGWNJXCJVWAHIT-UHFFFAOYSA-N	2	1	469.637	4.458	1	30		JIEFMP
C=CCNc1nc(NCC=C)[nH+]c(N2CCC([NH2+]CC(c3ccccc3)c3ccccc3)CC2)n1	ZINC000013650729	562981279	/nfs/dbraw/zinc/98/12/79/562981279.db2.gz	NGWNJXCJVWAHIT-UHFFFAOYSA-N	2	1	469.637	4.458	1	30		JIEFMP
C=CCNc1nc(N2CCC([NH2+]C[C@H]3c4ccccc4COc4ccccc43)CC2)nc(NCC=C)[nH+]1	ZINC000013650748	562981292	/nfs/dbraw/zinc/98/12/92/562981292.db2.gz	ZVRXLOKSPOXZHR-VWLOTQADSA-N	2	1	497.647	4.350	1	30		JIEFMP
C=CCNc1nc(NCC=C)[nH+]c(N2CCC([NH2+]C[C@H]3c4ccccc4COc4ccccc43)CC2)n1	ZINC000013650748	562981293	/nfs/dbraw/zinc/98/12/93/562981293.db2.gz	ZVRXLOKSPOXZHR-VWLOTQADSA-N	2	1	497.647	4.350	1	30		JIEFMP
CN(c1ccccc1)[C@@H]1c2ccccc2NC(=NCCC[NH2+]CCCC[NH2+]CCC[NH3+])C1(C)C	ZINC000013678612	562983707	/nfs/dbraw/zinc/98/37/07/562983707.db2.gz	PEOHNOWDCJWHSD-AREMUKBSSA-N	3	1	464.702	4.413	1	30		JIEFMP
CN(c1ccccc1)[C@H]1c2ccccc2NC(=NCCC[NH2+]CCCC[NH2+]CCC[NH3+])C1(C)C	ZINC000013678614	562983746	/nfs/dbraw/zinc/98/37/46/562983746.db2.gz	PEOHNOWDCJWHSD-SANMLTNESA-N	3	1	464.702	4.413	1	30		JIEFMP
C=CCNc1nc(N2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)nc(NCC=C)[nH+]1	ZINC000013650715	562981211	/nfs/dbraw/zinc/98/12/11/562981211.db2.gz	BIHXKFMTTVBNIS-UHFFFAOYSA-N	2	1	469.637	4.412	1	30		JIEFMP
CC[NH+](CC)CCC[C@@H](C)NC(=[NH2+])NC(=O)c1cccc(F)c1CCc1cc(OC)cc(OC)c1	ZINC000036284664	563125130	/nfs/dbraw/zinc/12/51/30/563125130.db2.gz	ZNAXZUPTUUWGDD-LJQANCHMSA-N	2	1	486.632	4.183	1	30		JIEFMP
C[NH2+]C[C@H](C)CCCCCC(=O)C=C(O)C=Cc1cc(OC)c(O)cc1Cc1ccc(N)[nH+]c1	ZINC000085630672	560068199	/nfs/dbraw/zinc/06/81/99/560068199.db2.gz	DBMWDCWOTMNQGN-GNISGLHKSA-N	2	1	467.610	4.316	1	30	biogenic,in-vitro	JIEFMP
C=CCNc1nc(N2CC[NH+](CC3c4ccccc4CCc4ccccc43)CC2)nc(NCC=C)[nH+]1	ZINC000013650720	562981471	/nfs/dbraw/zinc/98/14/71/562981471.db2.gz	ZYIXIZABAWLVTM-UHFFFAOYSA-N	2	1	481.648	4.120	1	30		JIEFMP
CC[NH+](CC)CCC[C@H](C)NC(=[NH2+])NC(=O)c1cccc(F)c1CCc1cc(OC)cc(OC)c1	ZINC000036284669	563125125	/nfs/dbraw/zinc/12/51/25/563125125.db2.gz	ZNAXZUPTUUWGDD-IBGZPJMESA-N	2	1	486.632	4.183	1	30		JIEFMP
C=CCNc1nc(N2CCC([NH2+]CC3c4ccccc4-c4ccccc43)CC2)nc(NCC=C)[nH+]1	ZINC000013650744	562981420	/nfs/dbraw/zinc/98/14/20/562981420.db2.gz	ZKLNBWNTYHOTEH-UHFFFAOYSA-N	2	1	467.621	4.438	1	30		JIEFMP
C=CCNc1nc(NCC=C)[nH+]c(N2CCC([NH2+]CC3c4ccccc4-c4ccccc43)CC2)n1	ZINC000013650744	562981421	/nfs/dbraw/zinc/98/14/21/562981421.db2.gz	ZKLNBWNTYHOTEH-UHFFFAOYSA-N	2	1	467.621	4.438	1	30		JIEFMP
C[C@H](NC(=O)C(C)(C)[NH2+]CCC[NH+](C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1	ZINC000045254788	563182540	/nfs/dbraw/zinc/18/25/40/563182540.db2.gz	OCZZZBSQIGLPHN-YADARESESA-N	2	1	455.046	4.363	1	30		JIEFMP
C=CCNc1nc(N2CCC([NH2+]C(c3ccccc3)c3ccccc3)CC2)nc(NCC=C)[nH+]1	ZINC000013650726	562981338	/nfs/dbraw/zinc/98/13/38/562981338.db2.gz	SREVXSQSXRLKHD-UHFFFAOYSA-N	2	1	455.610	4.415	1	30		JIEFMP
C=CCNc1nc(N2CCC([NH2+]C[C@@H]3c4ccccc4COc4ccccc43)CC2)nc(NCC=C)[nH+]1	ZINC000013650747	562981438	/nfs/dbraw/zinc/98/14/38/562981438.db2.gz	ZVRXLOKSPOXZHR-RUZDIDTESA-N	2	1	497.647	4.350	1	30		JIEFMP
C=CCNc1nc(NCC=C)[nH+]c(N2CCC([NH2+]C[C@@H]3c4ccccc4COc4ccccc43)CC2)n1	ZINC000013650747	562981439	/nfs/dbraw/zinc/98/14/39/562981439.db2.gz	ZVRXLOKSPOXZHR-RUZDIDTESA-N	2	1	497.647	4.350	1	30		JIEFMP
COc1ccccc1C[NH2+][C@H]1C2CC[N+](CC(N)=O)(CC2)[C@H]1C(c1ccccc1)c1ccccc1	ZINC000036323574	563125796	/nfs/dbraw/zinc/12/57/96/563125796.db2.gz	MEAHGWNSKVULCO-XPPBJISJSA-O	2	1	470.637	4.080	1	30		JIEFMP