smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO/N=C(\C)c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000027524889	202156355	/nfs/dbraw/zinc/15/63/55/202156355.db2.gz	FTIWZTBPQOPKQI-MFKUBSTISA-N	1	1	341.414	5.502	1	30		EKEFMO
C[N@@H+](CCC#CC(C)(C)c1ccccc1)Cc1cccc2ccccc21	ZINC000027704782	212573811	/nfs/dbraw/zinc/57/38/11/212573811.db2.gz	ALGWIUDMAZZTBC-UHFFFAOYSA-N	1	1	341.498	5.643	1	30		EKEFMO
CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	ZINC000036079878	213061074	/nfs/dbraw/zinc/06/10/74/213061074.db2.gz	NAVBJWWCUOXXQB-QFIPXVFZSA-N	1	1	331.568	5.662	1	30		EKEFMO
CCCCCCCC[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C	ZINC000036126872	213071179	/nfs/dbraw/zinc/07/11/79/213071179.db2.gz	KRRIOBULVTVQLP-WTNAPCKOSA-N	1	1	329.528	5.277	1	30		EKEFMO
CCCCCCCC[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C	ZINC000036126875	213071008	/nfs/dbraw/zinc/07/10/08/213071008.db2.gz	KRRIOBULVTVQLP-HSQYWUDLSA-N	1	1	329.528	5.277	1	30		EKEFMO
CCCCCCC[N@H+]1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC	ZINC000036221479	202319582	/nfs/dbraw/zinc/31/95/82/202319582.db2.gz	LITCAKDCGXFMNT-XKCSPQBFSA-N	1	1	345.571	6.131	1	30		EKEFMO
C[N@H+](Cc1ccccc1)C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1	ZINC000038618236	213217483	/nfs/dbraw/zinc/21/74/83/213217483.db2.gz	KYSRSAQLNLJEGN-FPOVZHCZSA-N	1	1	343.474	5.055	1	30		EKEFMO
C[N@H+](Cc1ccccc1)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(C#N)cc21	ZINC000038929087	213230634	/nfs/dbraw/zinc/23/06/34/213230634.db2.gz	FAHCYHHUZOVIAW-UXHICEINSA-N	1	1	343.474	5.055	1	30		EKEFMO
N#Cc1ccc(C[N@@H+](C2CCCC2)[C@@H]2CCC(=O)c3ccccc32)cc1	ZINC000040848100	213393554	/nfs/dbraw/zinc/39/35/54/213393554.db2.gz	DXGMYUVXVRTAQL-JOCHJYFZSA-N	1	1	344.458	5.021	1	30		EKEFMO
N#Cc1ccc(C[N@@H+](C2CCCC2)[C@H]2CCC(=O)c3ccccc32)cc1	ZINC000040848101	213393432	/nfs/dbraw/zinc/39/34/32/213393432.db2.gz	DXGMYUVXVRTAQL-QFIPXVFZSA-N	1	1	344.458	5.021	1	30		EKEFMO
CCCCCCCCCC[N@H+]1CCC[C@@H](C(=S)N(CC)CC)C1	ZINC000042988969	213548552	/nfs/dbraw/zinc/54/85/52/213548552.db2.gz	YXNGRNUJNUPSHX-LJQANCHMSA-N	1	1	340.621	5.508	1	30		EKEFMO
N#Cc1ccc2[nH]cc(CC[C@@H]3CCCC[N@H+]3Cc3ccccc3)c2c1	ZINC000045371638	213731657	/nfs/dbraw/zinc/73/16/57/213731657.db2.gz	DSUAMYJDMBGODS-NRFANRHFSA-N	1	1	343.474	5.027	1	30		EKEFMO
CCCCCCCCNc1[nH]cc(-c2ccc(Cl)c(Cl)c2)[nH+]1	ZINC000072112138	216010057	/nfs/dbraw/zinc/01/00/57/216010057.db2.gz	GEADLZYFJTZKHV-UHFFFAOYSA-N	1	1	340.298	6.156	1	30		EKEFMO
CO/N=C1\C[C@@H](c2ccc(C)cc2)[N@@H+](C)[C@@H](c2ccc(C)cc2)[C@@H]1C	ZINC000073167634	216359468	/nfs/dbraw/zinc/35/94/68/216359468.db2.gz	JTAGORSVXMCQEJ-DLFUPJSLSA-N	1	1	336.479	5.060	1	30		EKEFMO
CCCCCCC[N@@H+](CC)CC#CC(c1ccccc1)c1ccccc1	ZINC000103242448	219274282	/nfs/dbraw/zinc/27/42/82/219274282.db2.gz	JAQALBAETFFRFN-UHFFFAOYSA-N	1	1	347.546	6.114	1	30		EKEFMO
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/CCC/[NH+]=C1\C[C@H]3CC[C@]1(C)C3(C)C)C2	ZINC000169308288	527843169	/nfs/dbraw/zinc/84/31/69/527843169.db2.gz	MKAXXQKIOJDCOU-SWLCFDCESA-N	1	1	342.571	5.951	1	30		EKEFMO