smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cccc(O)c1[O-])N1CCO[C@H](CO)C1	ZINC000126495187	526771800	/nfs/dbraw/zinc/77/18/00/526771800.db2.gz	HNRHGAQFGLDEAO-QMMMGPOBSA-N	-1	3	253.254	-0.069	10	10		CBCEHM
COC(=O)C[N-]S(=O)(=O)Cc1ccc(N)cc1	ZINC000021513892	171311679	/nfs/dbraw/zinc/31/16/79/171311679.db2.gz	OKMQFHDCHGGVOF-UHFFFAOYSA-N	-1	3	258.299	-0.139	10	10		CBCEHM
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000040471860	174279903	/nfs/dbraw/zinc/27/99/03/174279903.db2.gz	MBIIUMDOQSMHKJ-SVRRBLITSA-N	-1	3	268.269	-0.443	10	10		CBCEHM
O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1CO	ZINC000126570254	656068243	/nfs/dbraw/zinc/06/82/43/656068243.db2.gz	JVSLWGBGVSOLCV-MRVPVSSYSA-N	-1	3	253.254	-0.069	10	10		CBCEHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCNCC2)c1	ZINC000262331786	525222806	/nfs/dbraw/zinc/22/28/06/525222806.db2.gz	VUELQNAFEDTWSE-UHFFFAOYSA-N	-1	3	299.352	-0.191	10	10		CBCEHM
NC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-]	ZINC000126518546	582121302	/nfs/dbraw/zinc/12/13/02/582121302.db2.gz	HWVGJYCJOGOYCG-QMMMGPOBSA-N	-1	3	266.253	-0.576	10	10		CBCEHM
O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1CO	ZINC000126569987	656068355	/nfs/dbraw/zinc/06/83/55/656068355.db2.gz	JVSLWGBGVSOLCV-QMMMGPOBSA-N	-1	3	253.254	-0.069	10	10		CBCEHM
C[C@@H]1C(=O)[N-]C(=O)N1c1nc(N(C)C)nc(N(C)C)n1	ZINC000000994909	351301809	/nfs/dbraw/zinc/30/18/09/351301809.db2.gz	KIAKUKIOZDDDHK-ZCFIWIBFSA-N	-1	3	279.304	-0.552	10	10		CBCEHM
O=C(N[C@H]1CCOC[C@@H]1O)c1cccc(O)c1[O-]	ZINC000706743275	656188739	/nfs/dbraw/zinc/18/87/39/656188739.db2.gz	ACADLUMUPGZHFO-WPRPVWTQSA-N	-1	3	253.254	-0.023	10	10		CBCEHM
C[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000040486846	174289842	/nfs/dbraw/zinc/28/98/42/174289842.db2.gz	ITJWIBNTLYIIJY-SVRRBLITSA-N	-1	3	268.269	-0.443	10	10		CBCEHM
CC(=O)[N-]C1=NC(=O)C(=CNc2nc[nH]n2)S1	ZINC000618254894	420497991	/nfs/dbraw/zinc/49/79/91/420497991.db2.gz	JDESCWLTYUQYJQ-DJWKRKHSSA-N	-1	3	252.259	-0.177	10	10		CBCEHM
O=C(N[C@H]1CCOC[C@H]1O)c1cccc(O)c1[O-]	ZINC000706743271	656188716	/nfs/dbraw/zinc/18/87/16/656188716.db2.gz	ACADLUMUPGZHFO-WCBMZHEXSA-N	-1	3	253.254	-0.023	10	10		CBCEHM
COC(=O)CS(=O)(=O)[N-]Cc1cc(N)ccc1O	ZINC000042533737	174781651	/nfs/dbraw/zinc/78/16/51/174781651.db2.gz	RFWLLDIXODYWPS-UHFFFAOYSA-N	-1	3	274.298	-0.433	10	10		CBCEHM
O=C(c1cccc(O)c1[O-])N1CCO[C@@H](CO)C1	ZINC000126495411	526772468	/nfs/dbraw/zinc/77/24/68/526772468.db2.gz	HNRHGAQFGLDEAO-MRVPVSSYSA-N	-1	3	253.254	-0.069	10	10		CBCEHM
O=C(N[C@@H]1CCOC[C@@H]1O)c1cccc(O)c1[O-]	ZINC000706743263	656188904	/nfs/dbraw/zinc/18/89/04/656188904.db2.gz	ACADLUMUPGZHFO-SCZZXKLOSA-N	-1	3	253.254	-0.023	10	10		CBCEHM
NC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1[O-]	ZINC000126518318	582121368	/nfs/dbraw/zinc/12/13/68/582121368.db2.gz	HWVGJYCJOGOYCG-MRVPVSSYSA-N	-1	3	266.253	-0.576	10	10		CBCEHM
CC(=O)[N-]C1=NC(=O)/C(=C/N2CCN(C(C)=O)CC2)S1	ZINC000618255184	356183286	/nfs/dbraw/zinc/18/32/86/356183286.db2.gz	QPPOYPFRTJFQNQ-YFHOEESVSA-N	-1	3	296.352	-0.243	10	10		CBCEHM
CC(=O)[N-]C1=NC(=O)/C(=C/N2CCN(CCO)CC2)S1	ZINC000618254901	356182988	/nfs/dbraw/zinc/18/29/88/356182988.db2.gz	JGUCLMGHOZZHLL-NTMALXAHSA-N	-1	3	298.368	-0.797	10	10		CBCEHM
C[C@@H](N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000040486848	174289508	/nfs/dbraw/zinc/28/95/08/174289508.db2.gz	ITJWIBNTLYIIJY-HTRCEHHLSA-N	-1	3	268.269	-0.443	10	10		CBCEHM
C[C@H]1C(=O)[N-]C(=O)N1c1nc(N(C)C)nc(N(C)C)n1	ZINC000000994908	279627538	/nfs/dbraw/zinc/62/75/38/279627538.db2.gz	KIAKUKIOZDDDHK-LURJTMIESA-N	-1	3	279.304	-0.552	10	10		CBCEHM