smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CC[NH+](C4CCCC4)CC3)co2)CC1	ZINC000034677826	555796111	/nfs/dbraw/zinc/79/61/11/555796111.db2.gz	YPKVPIKEPOFWNK-NRFANRHFSA-N	2	2	445.608	1.820	50	30		IDEALP
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@@H](O)CN2CC[NH+](C)CC2)c1C#N	ZINC000095446776	569367268	/nfs/dbraw/zinc/36/72/68/569367268.db2.gz	TVEMVMRDJCNHSN-LJQANCHMSA-N	2	2	442.564	1.097	50	30		IDEALP
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CC[NH+](C)CC2)c1C#N	ZINC000095446776	569367270	/nfs/dbraw/zinc/36/72/70/569367270.db2.gz	TVEMVMRDJCNHSN-LJQANCHMSA-N	2	2	442.564	1.097	50	30		IDEALP
COc1ccc(C(=O)C[n+]2c(N)n(CC[NH+]3CCOCC3)c3ccccc32)cc1OC	ZINC000025693439	557222274	/nfs/dbraw/zinc/22/22/74/557222274.db2.gz	JVXBTIAZPMSXAP-UHFFFAOYSA-O	2	2	425.509	1.743	50	30		IDEALP
C=CCCC(=O)N1CC[NH+](CCOc2cccc(C[N@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1	ZINC000012212399	518692545	/nfs/dbraw/zinc/69/25/45/518692545.db2.gz	AZYIBHFVVHDGSJ-NRFANRHFSA-N	2	2	428.577	1.886	50	30		IDEALP
C=CCCC(=O)N1CC[NH+](CCOc2cccc(C[N@@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1	ZINC000012212399	518692552	/nfs/dbraw/zinc/69/25/52/518692552.db2.gz	AZYIBHFVVHDGSJ-NRFANRHFSA-N	2	2	428.577	1.886	50	30		IDEALP
C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CC[NH+](C4CCCC4)CC3)co2)CC1	ZINC000034677827	555796121	/nfs/dbraw/zinc/79/61/21/555796121.db2.gz	YPKVPIKEPOFWNK-OAQYLSRUSA-N	2	2	445.608	1.820	50	30		IDEALP
C=CCCC(=O)N1CC[NH+](CCOc2cccc(C[N@H+](C)C[C@H]3CCC(=O)N3)c2)CC1	ZINC000012212401	518693118	/nfs/dbraw/zinc/69/31/18/518693118.db2.gz	AZYIBHFVVHDGSJ-OAQYLSRUSA-N	2	2	428.577	1.886	50	30		IDEALP
C=CCCC(=O)N1CC[NH+](CCOc2cccc(C[N@@H+](C)C[C@H]3CCC(=O)N3)c2)CC1	ZINC000012212401	518693128	/nfs/dbraw/zinc/69/31/28/518693128.db2.gz	AZYIBHFVVHDGSJ-OAQYLSRUSA-N	2	2	428.577	1.886	50	30		IDEALP
C=CCN(CC=C)C(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1	ZINC000058157150	518764311	/nfs/dbraw/zinc/76/43/11/518764311.db2.gz	IVHQDFYQGNLQPG-SFHVURJKSA-N	2	2	436.626	1.916	50	30		IDEALP
C=CCN(CC=C)C(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1	ZINC000058157151	518764496	/nfs/dbraw/zinc/76/44/96/518764496.db2.gz	IVHQDFYQGNLQPG-GOSISDBHSA-N	2	2	436.626	1.916	50	30		IDEALP
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@H](O)CN2CC[NH+](C)CC2)c1C#N	ZINC000095446775	569367233	/nfs/dbraw/zinc/36/72/33/569367233.db2.gz	TVEMVMRDJCNHSN-IBGZPJMESA-N	2	2	442.564	1.097	50	30		IDEALP
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@H](O)CN2CC[NH+](C)CC2)c1C#N	ZINC000095446775	569367236	/nfs/dbraw/zinc/36/72/36/569367236.db2.gz	TVEMVMRDJCNHSN-IBGZPJMESA-N	2	2	442.564	1.097	50	30		IDEALP