smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H]([NH2+]C[C@@H]([NH3+])CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000026395351	563027360	/nfs/dbraw/zinc/02/73/60/563027360.db2.gz	MKBLXGDJNNPVJQ-VXNCWWDNSA-N	1	2	479.603	-0.744	1	30		JBEFLO
CC(C)[C@H]([NH2+]C[C@@H]([NH3+])CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000026399391	563027508	/nfs/dbraw/zinc/02/75/08/563027508.db2.gz	NCOZXTAQUOCINN-XSYGEPLQSA-N	1	2	493.630	-0.354	1	30		JBEFLO
CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC=C(O)NC(N)=[NH2+]	ZINC000027109736	563040671	/nfs/dbraw/zinc/04/06/71/563040671.db2.gz	OBLHYCNJQKGWLJ-CVEARBPZSA-N	1	2	472.612	-0.438	1	30		JBEFLO
NC(=[NH2+])[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](NC(O)=NS(=O)(=O)c3ccccc3)C2=O)[C@@H]1O	ZINC000027520813	563044946	/nfs/dbraw/zinc/04/49/46/563044946.db2.gz	TYERXHFSWSFYBL-MUQADHOPSA-N	1	2	494.574	-0.548	1	30		JBEFLO
NC(=[NH2+])[C@H]1CCC[C@H](NC(=O)CN2CCC[C@H](NC(O)=NS(=O)(=O)c3ccccc3)C2=O)[C@@H]1O	ZINC000027520816	563044967	/nfs/dbraw/zinc/04/49/67/563044967.db2.gz	TYERXHFSWSFYBL-NBOOPKSLSA-N	1	2	494.574	-0.548	1	30		JBEFLO
NC(=[NH2+])[C@H]1CCC[C@H](NC(=O)CN2CCC[C@H](NC(O)=NS(=O)(=O)c3ccccc3)C2=O)[C@H]1O	ZINC000040498085	563144730	/nfs/dbraw/zinc/14/47/30/563144730.db2.gz	TYERXHFSWSFYBL-OVWQWFNUSA-N	1	2	494.574	-0.548	1	30		JBEFLO
NC(=[NH2+])[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](NC(O)=NS(=O)(=O)c3ccccc3)C2=O)[C@H]1O	ZINC000040498087	563144719	/nfs/dbraw/zinc/14/47/19/563144719.db2.gz	TYERXHFSWSFYBL-CVYDXHPNSA-N	1	2	494.574	-0.548	1	30		JBEFLO
O=C(c1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=[NH+]\OC[C@H](O)CO)C(=O)N2)N(CCO)CCO	ZINC000049918301	563204720	/nfs/dbraw/zinc/20/47/20/563204720.db2.gz	WQQMDZAANDODTC-LIPCWCCKSA-N	1	2	482.493	-0.024	1	30		JBEFLO
O=C(c1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=[NH+]\OC[C@@H](O)CO)C(=O)N2)N(CCO)CCO	ZINC000049918302	563204696	/nfs/dbraw/zinc/20/46/96/563204696.db2.gz	WQQMDZAANDODTC-CVFKDYSKSA-N	1	2	482.493	-0.024	1	30		JBEFLO