smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000035624094	523414493	/nfs/dbraw/zinc/41/44/93/523414493.db2.gz	BIQSIIFMCJPLJU-LZYBPNLTSA-N	-1	0	444.490	2.939	10	10		IFCERM
CO[C@H]1C=C[C@](CNC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])(OC)O1	ZINC000012417904	523961563	/nfs/dbraw/zinc/96/15/63/523961563.db2.gz	VEMFSXVFGJTWFP-MJSWLQEHSA-N	-1	0	435.476	2.612	10	10		IFCERM
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000033540150	557409406	/nfs/dbraw/zinc/40/94/06/557409406.db2.gz	POVILOIRVWUTGL-LZYBPNLTSA-N	-1	0	444.490	2.939	10	10		IFCERM
COc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000033543542	557410273	/nfs/dbraw/zinc/41/02/73/557410273.db2.gz	ZUKSTBLAKGBGRK-LZYBPNLTSA-N	-1	0	444.490	2.939	10	10		IFCERM
CO[C@H]1C=C[C@@](CNC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])(OC)O1	ZINC000008955691	569292611	/nfs/dbraw/zinc/29/26/11/569292611.db2.gz	VEMFSXVFGJTWFP-GGMXTHNOSA-N	-1	0	435.476	2.612	10	10		IFCERM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2ccccc2[nH]c1=O	ZINC000041074185	569526362	/nfs/dbraw/zinc/52/63/62/569526362.db2.gz	LZFAPWLTVGOEMK-GDNBJRDFSA-N	-1	0	438.237	2.957	10	10		IFCERM
COc1ccc(N2CCN(C(=O)C=C([O-])c3cc(OC)c(OC)c(OC)c3)CC2)cc1	ZINC000031572076	536677879	/nfs/dbraw/zinc/67/78/79/536677879.db2.gz	BDOONUMHGLMPME-UHFFFAOYSA-N	-1	0	428.485	2.643	10	10		IFCERM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1	ZINC000006508294	132277492	/nfs/dbraw/zinc/27/74/92/132277492.db2.gz	AOBLHCMYBCLMQH-DHDCSXOGSA-N	-1	0	441.396	2.677	10	10		IFCERM
CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)[O-])C2=O)c2cc(Br)ccc21	ZINC000028048159	569406578	/nfs/dbraw/zinc/40/65/78/569406578.db2.gz	ZRRDCUVVFJSMCR-SEYXRHQNSA-N	-1	0	441.328	2.862	10	10		IFCERM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccccc1Cl	ZINC000041077945	520691118	/nfs/dbraw/zinc/69/11/18/520691118.db2.gz	AZNUWNJNPFWGTH-UHFFFAOYSA-N	-1	0	430.844	2.946	10	10		IFCERM
COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1O	ZINC000049072021	563137883	/nfs/dbraw/zinc/13/78/83/563137883.db2.gz	GSKGEQJPCDEOAS-OQLLNIDSSA-N	-1	0	431.451	2.855	10	10		IFCERM
CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000033482256	520228902	/nfs/dbraw/zinc/22/89/02/520228902.db2.gz	DHQKVNCXIACTCN-NTEUORMPSA-N	-1	0	446.554	2.891	10	10		IFCERM
CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000028048199	556442966	/nfs/dbraw/zinc/44/29/66/556442966.db2.gz	SMSOKUWOZFTNFL-FOWTUZBSSA-N	-1	0	436.555	3.000	10	10		IFCERM
CO[C@@H]1C=C[C@@](CNC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])(OC)O1	ZINC000008856456	569291378	/nfs/dbraw/zinc/29/13/78/569291378.db2.gz	VEMFSXVFGJTWFP-JHKCSOKSSA-N	-1	0	435.476	2.612	10	10		IFCERM
COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)c1	ZINC000033526615	557404031	/nfs/dbraw/zinc/40/40/31/557404031.db2.gz	LHHWAPVWDFPZAP-LZYBPNLTSA-N	-1	0	444.490	2.939	10	10		IFCERM
CN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c2cc(Br)ccc21	ZINC000028048197	569406609	/nfs/dbraw/zinc/40/66/09/569406609.db2.gz	VDAIXBXCKODZAH-SEYXRHQNSA-N	-1	0	441.328	2.862	10	10		IFCERM