smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc(CN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC	ZINC000514292949	1059082997	/nfs/dbraw/zinc/08/29/97/1059082997.db2.gz	ONILUCRQGVSHQU-UHFFFAOYSA-N	1	0	502.637	2.614	20	30		KFEDRO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1	ZINC000514387659	1059327671	/nfs/dbraw/zinc/32/76/71/1059327671.db2.gz	HRSHQRMJKHYAQQ-UHFFFAOYSA-N	1	0	511.648	2.669	20	30		KFEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000514391479	1059350613	/nfs/dbraw/zinc/35/06/13/1059350613.db2.gz	LANBLWAHIWRIFB-GOSISDBHSA-N	1	0	506.698	2.862	20	30		KFEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000514391480	1059350704	/nfs/dbraw/zinc/35/07/04/1059350704.db2.gz	LANBLWAHIWRIFB-SFHVURJKSA-N	1	0	506.698	2.862	20	30		KFEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000514392040	1059351944	/nfs/dbraw/zinc/35/19/44/1059351944.db2.gz	SMELTQCFJOLOGU-UHFFFAOYSA-N	1	0	501.609	2.797	20	30		KFEDRO
CCCCN(C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000514392779	1059383514	/nfs/dbraw/zinc/38/35/14/1059383514.db2.gz	BNTFDYCXGYZFMP-UHFFFAOYSA-N	1	0	543.672	2.792	20	30		KFEDRO
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O	ZINC000514394617	1059398295	/nfs/dbraw/zinc/39/82/95/1059398295.db2.gz	PIROGHONHWCKPV-UHFFFAOYSA-N	1	0	551.692	2.707	20	30		KFEDRO
C=CCn1c2nnc(SCC(=O)NCc3ccccc3CN3CC[NH+](CC)CC3)n2c2ccccc2c1=O	ZINC000514402595	1059370869	/nfs/dbraw/zinc/37/08/69/1059370869.db2.gz	PNTIRDDUXXAWBQ-UHFFFAOYSA-N	1	0	531.686	2.776	20	30		KFEDRO
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)CC2)c1	ZINC000514403406	1059372809	/nfs/dbraw/zinc/37/28/09/1059372809.db2.gz	UWSUPMQURNWUMR-UHFFFAOYSA-N	1	0	551.713	2.523	20	30		KFEDRO
CCOc1ccc(CN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OCC	ZINC000514404788	1059414497	/nfs/dbraw/zinc/41/44/97/1059414497.db2.gz	MSROYNBTODRRKW-UHFFFAOYSA-N	1	0	502.637	2.614	20	30		KFEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	ZINC000514405268	1059362725	/nfs/dbraw/zinc/36/27/25/1059362725.db2.gz	UZRMOKZCBQKTRX-UHFFFAOYSA-N	1	0	506.698	2.782	20	30		KFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C	ZINC001165562018	1059765876	/nfs/dbraw/zinc/76/58/76/1059765876.db2.gz	LHKZHTVTZQHQLH-UHFFFAOYSA-N	1	0	500.003	2.645	20	30		KFEDRO