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)N(CC(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)[O-])C(C)C	ZINC000002508024	374239325	/nfs/dbraw/zinc/23/93/25/374239325.db2.gz	CUEHNLMLFJFMER-BQUFFADESA-N	-1	1	337.369	-1.823	40	0		EAABMM
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000003922524	303219995	/nfs/dbraw/zinc/21/99/95/303219995.db2.gz	IYMAXBFPHPZYIK-RQJHMYQMSA-N	-1	1	346.344	-3.263	40	0		EAABMM
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000003922526	303219941	/nfs/dbraw/zinc/21/99/41/303219941.db2.gz	IYMAXBFPHPZYIK-NKWVEPMBSA-N	-1	1	346.344	-3.263	40	0		EAABMM
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000003922527	303219714	/nfs/dbraw/zinc/21/97/14/303219714.db2.gz	IYMAXBFPHPZYIK-RNFRBKRXSA-N	-1	1	346.344	-3.263	40	0		EAABMM
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)[n-]1	ZINC000005544959	374243438	/nfs/dbraw/zinc/24/34/38/374243438.db2.gz	VIYJZVFQPBWUJQ-ANXQYSSRSA-N	-1	1	347.349	-2.484	40	0		EAABMM
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)[n-]1	ZINC000005544960	210484687	/nfs/dbraw/zinc/48/46/87/210484687.db2.gz	VIYJZVFQPBWUJQ-XMURUDDGSA-N	-1	1	347.349	-2.484	40	0		EAABMM
CSc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000005545843	374243326	/nfs/dbraw/zinc/24/33/26/374243326.db2.gz	YUYHWVWEDABSBD-DCPHZCSOSA-N	-1	1	344.349	-2.186	40	0		EAABMM
CSc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000005545845	374243967	/nfs/dbraw/zinc/24/39/67/374243967.db2.gz	YUYHWVWEDABSBD-JKHDZATESA-N	-1	1	344.349	-2.186	40	0		EAABMM
CSc1nc2c(nc(N)n2[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000005546019	374243002	/nfs/dbraw/zinc/24/30/02/374243002.db2.gz	GDRCBFJQUZIOSW-BDXYJKHTSA-N	-1	1	329.338	-1.965	40	0		EAABMM
CSc1nc2c(nc(N)n2[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000005546020	374243068	/nfs/dbraw/zinc/24/30/68/374243068.db2.gz	GDRCBFJQUZIOSW-UUOKFMHZSA-N	-1	1	329.338	-1.965	40	0		EAABMM
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)[n-]1	ZINC000008652718	374248279	/nfs/dbraw/zinc/24/82/79/374248279.db2.gz	VIYJZVFQPBWUJQ-VLBHWAHQSA-N	-1	1	347.349	-2.484	40	0		EAABMM
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)[n-]1	ZINC000008655925	201756010	/nfs/dbraw/zinc/75/60/10/201756010.db2.gz	VZOSVGAXSLLDML-DALOQIEPSA-N	-1	1	334.354	-2.714	40	0		EAABMM
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)[n-]1	ZINC000008655926	374247853	/nfs/dbraw/zinc/24/78/53/374247853.db2.gz	VZOSVGAXSLLDML-NUPWSADLSA-N	-1	1	334.354	-2.714	40	0		EAABMM
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)[n-]1	ZINC000008655927	210977426	/nfs/dbraw/zinc/97/74/26/210977426.db2.gz	VZOSVGAXSLLDML-IRPHGTLLSA-N	-1	1	334.354	-2.714	40	0		EAABMM
CSc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000008655930	374247834	/nfs/dbraw/zinc/24/78/34/374247834.db2.gz	YUYHWVWEDABSBD-LFRLGQHFSA-N	-1	1	344.349	-2.186	40	0		EAABMM
CSc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000008655931	374248131	/nfs/dbraw/zinc/24/81/31/374248131.db2.gz	YUYHWVWEDABSBD-QYPVHALMSA-N	-1	1	344.349	-2.186	40	0		EAABMM
COc1nc(=O)c(C(C)=O)c(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[n-]1	ZINC000017175071	374260409	/nfs/dbraw/zinc/26/04/09/374260409.db2.gz	WSXCNSWFRVAPEM-WCPLEAOBSA-N	-1	1	345.308	-2.395	40	0		EAABMM
COc1nc(=O)c(C(C)=O)c(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[n-]1	ZINC000017175072	374259151	/nfs/dbraw/zinc/25/91/51/374259151.db2.gz	WSXCNSWFRVAPEM-JJMVBFHUSA-N	-1	1	345.308	-2.395	40	0		EAABMM
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)[n-]1	ZINC000017175491	374259988	/nfs/dbraw/zinc/25/99/88/374259988.db2.gz	VIYJZVFQPBWUJQ-QSENUVQISA-N	-1	1	347.349	-2.484	40	0		EAABMM
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)[n-]1	ZINC000017191017	374259664	/nfs/dbraw/zinc/25/96/64/374259664.db2.gz	VZOSVGAXSLLDML-AVIDFEGHSA-N	-1	1	334.354	-2.714	40	0		EAABMM
CC(C)N(CC(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-])C(C)C	ZINC000031357072	374265465	/nfs/dbraw/zinc/26/54/65/374265465.db2.gz	CUEHNLMLFJFMER-FTYKPCCVSA-N	-1	1	337.369	-1.823	40	0		EAABMM
CC(C)N(CC(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)[O-])C(C)C	ZINC000255967950	279408326	/nfs/dbraw/zinc/40/83/26/279408326.db2.gz	CUEHNLMLFJFMER-SYEHKZFSSA-N	-1	1	337.369	-1.823	40	0		EAABMM
CC(C)N(CC(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)[O-])C(C)C	ZINC000255967951	374607419	/nfs/dbraw/zinc/60/74/19/374607419.db2.gz	CUEHNLMLFJFMER-XYJRDEOASA-N	-1	1	337.369	-1.823	40	0		EAABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)CNS(C)(=O)=O)CCO2)n1	ZINC000257344589	414942734	/nfs/dbraw/zinc/94/27/34/414942734.db2.gz	ZXXUYPOFLSLDOK-SECBINFHSA-N	-1	1	330.366	-1.060	40	0		EAABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)CNS(C)(=O)=O)CCO2)n1	ZINC000257344590	291972058	/nfs/dbraw/zinc/97/20/58/291972058.db2.gz	ZXXUYPOFLSLDOK-VIFPVBQESA-N	-1	1	330.366	-1.060	40	0		EAABMM
O=c1ccc2cc(C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])cc2o1	ZINC000390822454	375197729	/nfs/dbraw/zinc/19/77/29/375197729.db2.gz	YRABYCJKUBFWQY-FHXAZYNBSA-N	-1	1	338.312	-1.117	40	0		EAABMM