smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)CNCc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1	ZINC000012027321	462842128	/nfs/dbraw/zinc/84/21/28/462842128.db2.gz	FIYCLXHVSINEJX-KRWDZBQOSA-N	1	3	336.476	2.441	50	30		EEEAHO
C=C(C)CNCc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1	ZINC000012027321	462842131	/nfs/dbraw/zinc/84/21/31/462842131.db2.gz	FIYCLXHVSINEJX-KRWDZBQOSA-N	1	3	336.476	2.441	50	30		EEEAHO
Cc1csc(-c2c(O)cn(C3CC(C)(C)[NH2+]C(C)(C)C3)c2N)n1	ZINC000013693051	462901250	/nfs/dbraw/zinc/90/12/50/462901250.db2.gz	RYEMXZPQKLCKQE-UHFFFAOYSA-N	1	3	334.489	2.273	50	30		EEEAHO
C=C(C)CNCc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1	ZINC000012027323	462841818	/nfs/dbraw/zinc/84/18/18/462841818.db2.gz	FIYCLXHVSINEJX-QGZVFWFLSA-N	1	3	336.476	2.441	50	30		EEEAHO
C=C(C)CNCc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1	ZINC000012027323	462841823	/nfs/dbraw/zinc/84/18/23/462841823.db2.gz	FIYCLXHVSINEJX-QGZVFWFLSA-N	1	3	336.476	2.441	50	30		EEEAHO
CC[NH+](CC)CCn1cc(O)c(-c2nc3ccccc3s2)c1N	ZINC000008844122	211011009	/nfs/dbraw/zinc/01/10/09/211011009.db2.gz	URFORDOGKXPRGV-UHFFFAOYSA-N	1	3	330.457	2.150	50	30		EEEAHO
CCCCCCCN1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1	ZINC000222291591	464128783	/nfs/dbraw/zinc/12/87/83/464128783.db2.gz	AJUYAHMXKQBBAM-UHFFFAOYSA-N	1	3	346.523	2.356	50	30		EEEAHO