smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccn2cc[nH+]c2c1	6567696	560206061	/nfs/dbraw/zinc/20/60/61/560206061.db2.gz	UTCSSFWDNNEEBH-UHFFFAOYSA-O	1	2	119.147	0.753	1	0	in-vitro	ACAFLO
[NH2+]=CNC(Cc1c[nH+]c[nH]1)C(=O)[O-]	100389311	574418455	/nfs/dbraw/zinc/41/84/55/574418455.db2.gz	FMOAZFQBCSEOPV-UHFFFAOYSA-N	1	2	182.183	0.434	1	0	endogenous,in-vitro	ACAFLO
[NH2+]=CNC(Cc1c[nH]c[nH+]1)C(=O)[O-]	100389311	574418456	/nfs/dbraw/zinc/41/84/56/574418456.db2.gz	FMOAZFQBCSEOPV-UHFFFAOYSA-N	1	2	182.183	0.434	1	0	endogenous,in-vitro	ACAFLO
c1c[nH+]c[nH]1	12503514	166081271	/nfs/dbraw/zinc/08/12/71/166081271.db2.gz	LGRQUXHYJBFGTM-UHFFFAOYSA-N	1	2	68.079	0.099	1	0	in-vitro	ACAFLO
C1C[NH2+]SC1	64624855	166097787	/nfs/dbraw/zinc/09/77/87/166097787.db2.gz	CZSRXHJVZUBEGW-UHFFFAOYSA-N	1	2	89.163	0.628	1	0	in-vitro	ACAFLO
C=C[NH+]1CC1	5194082	166210270	/nfs/dbraw/zinc/21/02/70/166210270.db2.gz	VZNJDNKFUXILTJ-UHFFFAOYSA-N	1	2	69.107	0.446	1	0	in-vitro	ACAFLO
CC(=O)NC(=S)Nc1cc[nH+]cc1	103218987	166268891	/nfs/dbraw/zinc/26/88/91/166268891.db2.gz	RDYSSEIHCYVXAU-UHFFFAOYSA-N	1	2	195.247	0.915	1	0		ACAFLO
CCOC(=O)/C=C\n1cc[nH+]c1	49803832	167319981	/nfs/dbraw/zinc/31/99/81/167319981.db2.gz	PFBNSWWZXGYJSV-HYXAFXHYSA-N	1	2	166.180	0.917	1	0		ACAFLO
Cn1c[nH+]cc1C[C@H]1COC(=O)C1	13447188	169058298	/nfs/dbraw/zinc/05/82/98/169058298.db2.gz	YOIFSTUAGLOWPB-SSDOTTSWSA-N	1	2	180.207	0.526	1	0		ACAFLO
O=C1CSC(=Cc2c[nH]c[nH+]2)N1	103234203	169379139	/nfs/dbraw/zinc/37/91/39/169379139.db2.gz	VNNSKMKYTJEFNC-LREOWRDNSA-N	1	2	181.220	0.571	1	0		ACAFLO
c1cn(C23C4C5C6C4C2C6C53)c[nH+]1	1856503	169481600	/nfs/dbraw/zinc/48/16/00/169481600.db2.gz	KFEMNBRDYUWMCE-UHFFFAOYSA-N	1	2	170.215	0.960	1	0		ACAFLO
c1c2c(cc3c1OCO3)[C@@H]1[NH2+][C@@H]1C2	28022470	171047499	/nfs/dbraw/zinc/04/74/99/171047499.db2.gz	BZOLTPZZQBMGIS-XCBNKYQSSA-N	1	2	175.187	0.984	1	0		ACAFLO
c1c2c(cc3c1OCO3)[C@H]1[NH2+][C@H]1C2	28022466	171047564	/nfs/dbraw/zinc/04/75/64/171047564.db2.gz	BZOLTPZZQBMGIS-OIBJUYFYSA-N	1	2	175.187	0.984	1	0		ACAFLO
C1=CC2=c3ccccc3=[NH+][C@@H]2C=C1	38792127	325601078	/nfs/dbraw/zinc/60/10/78/325601078.db2.gz	RPQOUNREXIWOPP-LLVKDONJSA-N	1	2	167.211	0.965	1	0	in-vitro	ACAFLO