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)=C1Oc2c(ccc3cc(C)[nH+]cc23)C1=O	ZINC000000007754	188225511	/nfs/dbraw/zinc/22/55/11/188225511.db2.gz	KJJZKDAMKKPUPJ-UHFFFAOYSA-N	1	2	239.274	3.412	1	30		BGEFLO
CN(C)/C=[NH+]/n1c2ccccc2c2ccccc21	ZINC000006371845	172352111	/nfs/dbraw/zinc/35/21/11/172352111.db2.gz	ZMZQESQRPVVTKB-LFIBNONCSA-N	1	2	237.306	3.148	1	30		BGEFLO
N#Cc1ccc2c(c1)C(=Cc1c[nH]c[nH+]1)CCC2	ZINC000013611822	181131628	/nfs/dbraw/zinc/13/16/28/181131628.db2.gz	QCSHDBFRWJERMU-NTUHNPAUSA-N	1	2	235.290	3.158	1	30		BGEFLO
C(#C[C@@H]1C[C@@H]1c1c[nH+]c[nH]1)CCC1CCCC1	ZINC000013795266	166225003	/nfs/dbraw/zinc/22/50/03/166225003.db2.gz	FURHOQAKGUZQLH-KGLIPLIRSA-N	1	2	228.339	3.487	1	30		BGEFLO
C(#C[C@@H]1C[C@@H]1c1c[nH]c[nH+]1)CCC1CCCC1	ZINC000013795266	166225001	/nfs/dbraw/zinc/22/50/01/166225001.db2.gz	FURHOQAKGUZQLH-KGLIPLIRSA-N	1	2	228.339	3.487	1	30		BGEFLO
C(#C[C@H]1C[C@@H]1c1c[nH+]c[nH]1)CCC1CCCC1	ZINC000013795269	166225945	/nfs/dbraw/zinc/22/59/45/166225945.db2.gz	FURHOQAKGUZQLH-KBPBESRZSA-N	1	2	228.339	3.487	1	30		BGEFLO
C(#C[C@H]1C[C@@H]1c1c[nH]c[nH+]1)CCC1CCCC1	ZINC000013795269	166225944	/nfs/dbraw/zinc/22/59/44/166225944.db2.gz	FURHOQAKGUZQLH-KBPBESRZSA-N	1	2	228.339	3.487	1	30		BGEFLO
C(#C[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCC1CCCC1	ZINC000013795278	166225837	/nfs/dbraw/zinc/22/58/37/166225837.db2.gz	FURHOQAKGUZQLH-ZIAGYGMSSA-N	1	2	228.339	3.487	1	30		BGEFLO
C(#C[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCC1CCCC1	ZINC000013795278	166225835	/nfs/dbraw/zinc/22/58/35/166225835.db2.gz	FURHOQAKGUZQLH-ZIAGYGMSSA-N	1	2	228.339	3.487	1	30		BGEFLO
C(#C[C@H]1C[C@H]1c1c[nH+]c[nH]1)CCC1CCCC1	ZINC000013795281	166226072	/nfs/dbraw/zinc/22/60/72/166226072.db2.gz	FURHOQAKGUZQLH-UONOGXRCSA-N	1	2	228.339	3.487	1	30		BGEFLO
C(#C[C@H]1C[C@H]1c1c[nH]c[nH+]1)CCC1CCCC1	ZINC000013795281	166226070	/nfs/dbraw/zinc/22/60/70/166226070.db2.gz	FURHOQAKGUZQLH-UONOGXRCSA-N	1	2	228.339	3.487	1	30		BGEFLO
CC(C)(C)C#Cc1cccc(Cc2c[nH]c[nH+]2)c1	ZINC000014979051	188225391	/nfs/dbraw/zinc/22/53/91/188225391.db2.gz	KZWRVJZTROHTQZ-UHFFFAOYSA-N	1	2	238.334	3.398	1	30		BGEFLO
CCCSC(Nc1cccc(F)c1)=[NH+]C	ZINC000028128930	169334975	/nfs/dbraw/zinc/33/49/75/169334975.db2.gz	JPJXMJYVLUJEEN-UHFFFAOYSA-N	1	2	226.320	3.176	1	30		BGEFLO
N#Cc1ccc2c(c1)C(=Cc1c[nH]c[nH+]1)CCC2	ZINC000039200621	181131702	/nfs/dbraw/zinc/13/17/02/181131702.db2.gz	QCSHDBFRWJERMU-QPEQYQDCSA-N	1	2	235.290	3.158	1	30		BGEFLO
CC1=C/C(=[NH+]\C(C)C)c2ccccc2C1=O	ZINC000045299333	168090358	/nfs/dbraw/zinc/09/03/58/168090358.db2.gz	RDPKFQFAMQRHBW-FYWRMAATSA-N	1	2	213.280	3.027	1	30		BGEFLO
C=CCCC1=[NH+]CCc2cc(OC)c(OC)cc21	ZINC000084669433	187243281	/nfs/dbraw/zinc/24/32/81/187243281.db2.gz	KGVVNZPXEONIGX-UHFFFAOYSA-N	1	2	245.322	3.015	1	30		BGEFLO
N#Cc1ccc2c(c1)CCCC2=Cc1c[nH]c[nH+]1	ZINC000100377606	181132376	/nfs/dbraw/zinc/13/23/76/181132376.db2.gz	AEBLXEQBDHHLKP-QPEQYQDCSA-N	1	2	235.290	3.158	1	30		BGEFLO
C(=C/c1ccccc1)\C=[NH+]\Cc1cccnc1	ZINC000103286304	188323521	/nfs/dbraw/zinc/32/35/21/188323521.db2.gz	YFQPWLSUCIMVRX-PVZXKMMOSA-N	1	2	222.291	3.366	1	30		BGEFLO