smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2c(c1)C(=NCCN1CCCCC1)c1ccccc1[C@H]1C[C@H]21	ZINC000027078932	202151152	/nfs/dbraw/zinc/15/11/52/202151152.db2.gz	FFRVGKQMCDRKLM-FGZHOGPDSA-N	0	3	330.475	4.594	1	30		EJEFHN
CCCCCCCCOC(=O)[C@H]1CN(CC)CC=C1c1ccccc1	ZINC000034802089	202277286	/nfs/dbraw/zinc/27/72/86/202277286.db2.gz	IVUOMTRDHAJWCR-NRFANRHFSA-N	0	3	343.511	4.925	1	30		EJEFHN
C(#Cc1cnc2ccccc2c1)CCN1CC=C(c2ccccc2)CC1	ZINC000013757286	201366390	/nfs/dbraw/zinc/36/63/90/201366390.db2.gz	VNMWEXMNOPGWQX-UHFFFAOYSA-N	0	3	338.454	4.766	1	30		EJEFHN
CON=C1[C@H](C)[C@@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H]1C	ZINC000073196742	203259482	/nfs/dbraw/zinc/25/94/82/203259482.db2.gz	MCNXMASBRNCCRU-NEAWWFDSSA-N	0	3	336.479	4.964	1	30		EJEFHN
C=CC[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21	ZINC000040891928	213397504	/nfs/dbraw/zinc/39/75/04/213397504.db2.gz	UAWIOOOQDGTXGP-OAQYLSRUSA-N	0	3	337.438	4.964	1	30		EJEFHN
C=CC[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21	ZINC000040891930	213397999	/nfs/dbraw/zinc/39/79/99/213397999.db2.gz	UAWIOOOQDGTXGP-NRFANRHFSA-N	0	3	337.438	4.964	1	30		EJEFHN
CCOC(=O)C(C#N)[C@@H](c1ccccc1F)c1cccc2ccccc21	ZINC000028865663	212641423	/nfs/dbraw/zinc/64/14/23/212641423.db2.gz	BOSKVKGTHPQETE-TZIWHRDSSA-N	0	3	347.389	4.814	1	30		EJEFHN
CCCCN(CC)CC#CCOC(c1ccccc1)c1ccccc1	ZINC000103242400	219274119	/nfs/dbraw/zinc/27/41/19/219274119.db2.gz	YRRVBNFMMJDGSK-UHFFFAOYSA-N	0	3	335.491	4.918	1	30		EJEFHN
CCCCCCCCCCCCc1cccc([C@@H](O)[C@@H](N)CO)c1	ZINC000036079866	213060319	/nfs/dbraw/zinc/06/03/19/213060319.db2.gz	YIJCVPLAUOUDGO-LEWJYISDSA-N	0	3	335.532	4.503	1	30		EJEFHN
CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H](CO)N(C)C	ZINC000103634594	219318491	/nfs/dbraw/zinc/31/84/91/219318491.db2.gz	YRXOQXUDKDCXME-GHLWEHPRSA-N	0	3	327.553	4.527	1	30	in-vivo	EJEFHN
CCCCCCCCCC/C=C/c1csc([C@@H](O)[C@@H](N)CO)c1	ZINC000036079871	213060444	/nfs/dbraw/zinc/06/04/44/213060444.db2.gz	YLYAWZPZZHYSED-QGUQWCRPSA-N	0	3	339.545	4.645	1	30		EJEFHN