smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)N1CC[N@@H+]2Cc3c4ccc(OC)cc4c4cc(OC)c(OC)cc4c3C[C@H]2C1	ZINC000072113828	563163669	/nfs/dbraw/zinc/16/36/69/563163669.db2.gz	YVMBXKMLIFSGIQ-HNNXBMFYSA-N	1	2	436.508	3.828	1	5		IHBFLO
COC(=O)N1CC[N@H+]2Cc3c4ccc(OC)cc4c4cc(OC)c(OC)cc4c3C[C@H]2C1	ZINC000072113828	563163671	/nfs/dbraw/zinc/16/36/71/563163671.db2.gz	YVMBXKMLIFSGIQ-HNNXBMFYSA-N	1	2	436.508	3.828	1	5		IHBFLO
CCOC(=O)C1=C(C)NC(Cn2cc[nH+]c2)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000027736639	563046486	/nfs/dbraw/zinc/04/64/86/563046486.db2.gz	XTNTUTBUNSWCMR-QGWGWZPUSA-N	1	2	440.456	3.673	1	5		IHBFLO
CN(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)c[nH+]1	ZINC000049047606	563136652	/nfs/dbraw/zinc/13/66/52/563136652.db2.gz	HNUCSABEXNUOIE-UUILKARUSA-N	1	2	444.451	3.962	1	5		IHBFLO
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCC[NH+]1CCOCC1	ZINC000095581613	563187678	/nfs/dbraw/zinc/18/76/78/563187678.db2.gz	CXEIYLWLMNAHNO-UHFFFAOYSA-N	1	2	440.283	3.865	1	5		IHBFLO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@H+]2CCN(C(=O)N(C)C)C[C@H]2C1	ZINC000072112478	563163432	/nfs/dbraw/zinc/16/34/32/563163432.db2.gz	MVDKBMSSQVKYIM-MRXNPFEDSA-N	1	2	449.551	3.743	1	5		IHBFLO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCN(C(=O)N(C)C)C[C@H]2C1	ZINC000072112478	563163433	/nfs/dbraw/zinc/16/34/33/563163433.db2.gz	MVDKBMSSQVKYIM-MRXNPFEDSA-N	1	2	449.551	3.743	1	5		IHBFLO
CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1c[nH+]c2c(c1)OCCN2	ZINC000014970341	563016531	/nfs/dbraw/zinc/01/65/31/563016531.db2.gz	SOGONSJMRDJQLC-UHFFFAOYSA-N	1	2	432.455	3.685	1	5		IHBFLO
CCOC(=O)C1=C(C)NC(Cn2cc[nH+]c2)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000027736633	563046439	/nfs/dbraw/zinc/04/64/39/563046439.db2.gz	XTNTUTBUNSWCMR-ABDBUPHLSA-N	1	2	440.456	3.673	1	5		IHBFLO
COc1cc(OC)c2c(c1)n(C)c1cc(N3CCN(c4cccc[nH+]4)CC3)c(F)cc1c2=O	ZINC000045506666	563134896	/nfs/dbraw/zinc/13/48/96/563134896.db2.gz	JYDHGEHFTYPISS-UHFFFAOYSA-N	1	2	448.498	3.570	1	5		IHBFLO
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)CC[N@@H+](CC1OCCO1)C3	ZINC000095576856	563186137	/nfs/dbraw/zinc/18/61/37/563186137.db2.gz	NPPIACXHRGLHGW-UHFFFAOYSA-N	1	2	439.508	3.758	1	5		IHBFLO
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)CC[N@H+](CC1OCCO1)C3	ZINC000095576856	563186139	/nfs/dbraw/zinc/18/61/39/563186139.db2.gz	NPPIACXHRGLHGW-UHFFFAOYSA-N	1	2	439.508	3.758	1	5		IHBFLO
Cc1cc(C)c2c(c1C)n(C)c1cc(N3CCN(c4cccc[nH+]4)CC3)c(N)cc1c2=O	ZINC000040949553	563113697	/nfs/dbraw/zinc/11/36/97/563113697.db2.gz	SPRAJTOYMWKWJR-UHFFFAOYSA-N	1	2	427.552	3.921	1	5		IHBFLO