smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#Cc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012209756	818146833	/nfs/dbraw/zinc/14/68/33/818146833.db2.gz	YKPOLFXJCYRULC-RUZDIDTESA-N	2	0	380.576	4.304	50	30		GIEARP
C#Cc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012209749	818146702	/nfs/dbraw/zinc/14/67/02/818146702.db2.gz	YKPOLFXJCYRULC-VWLOTQADSA-N	2	0	380.576	4.304	50	30		GIEARP
C=CCn1cc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](CC)C3)cn1	ZINC000092003289	519277712	/nfs/dbraw/zinc/27/77/12/519277712.db2.gz	NAELDGQXDKGMQY-HSZRJFAPSA-N	2	0	378.564	4.161	50	30		GIEARP
Cc1cc(=N)n(C(Nc2ccc(C)cc2)=[NH+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1	ZINC000020357389	526098436	/nfs/dbraw/zinc/09/84/36/526098436.db2.gz	XXFVEEHCOBUGIQ-UHFFFAOYSA-N	2	0	385.581	4.271	50	30		GIEARP
C=CCn1cc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](CC)C3)cn1	ZINC000092003291	519277568	/nfs/dbraw/zinc/27/75/68/519277568.db2.gz	NAELDGQXDKGMQY-QHCPKHFHSA-N	2	0	378.564	4.161	50	30		GIEARP
C=C[C@@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12	ZINC000004016328	206227678	/nfs/dbraw/zinc/22/76/78/206227678.db2.gz	QANGUEGDIZBQNM-FJIJVGMHSA-N	2	0	385.531	4.105	50	30		GIEARP
Cc1cc(N2CCC3(CCC[N@H+]3Cc3cc(C#N)n(C)c3)CC2)c2ccccc2[nH+]1	ZINC000072439296	136170506	/nfs/dbraw/zinc/17/05/06/136170506.db2.gz	YCNKWVKXSFZSTO-UHFFFAOYSA-N	2	0	399.542	4.388	50	30		GIEARP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)CC2)o1	ZINC000012718895	524437442	/nfs/dbraw/zinc/43/74/42/524437442.db2.gz	FCUSYRUCYOSIFU-UHFFFAOYSA-N	2	0	394.559	4.054	50	30		GIEARP
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12	ZINC000000976488	570343406	/nfs/dbraw/zinc/34/34/06/570343406.db2.gz	QANGUEGDIZBQNM-DYCBMTEISA-N	2	0	385.531	4.105	50	30		GIEARP
C#Cc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1	ZINC000012583522	518358064	/nfs/dbraw/zinc/35/80/64/518358064.db2.gz	LYMPNKFMFOGLIT-UHFFFAOYSA-N	2	0	376.544	4.063	50	30		GIEARP
Cc1cc(=N)n(C(Nc2cccc(C)c2)=[NH+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1	ZINC000020407948	526099155	/nfs/dbraw/zinc/09/91/55/526099155.db2.gz	QTQDHGPYIYJPFI-UHFFFAOYSA-N	2	0	385.581	4.271	50	30		GIEARP