smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nonc1C(=N[O-])N1CC[NH+](CCO)CC1	ZINC000252643322	373953749	/nfs/dbraw/zinc/95/37/49/373953749.db2.gz	ZUFPEKRAPJJQJR-UHFFFAOYSA-N	0	1	256.266	-1.603	50	30		CAEAMN
Nc1nonc1/C(=N/[O-])N1CC[NH+](CCO)CC1	ZINC000013131038	372802010	/nfs/dbraw/zinc/80/20/10/372802010.db2.gz	ZUFPEKRAPJJQJR-LUAWRHEFSA-N	0	1	256.266	-1.603	50	30		CAEAMN
N#Cc1ccnc(N2CCN(C(CO)CO)C[C@H](O)C2)c1	ZINC000097173176	372873843	/nfs/dbraw/zinc/87/38/43/372873843.db2.gz	UDCKXXWCQVMUTB-ZDUSSCGKSA-N	0	1	292.339	-1.211	50	30		CAEAMN
N#Cc1ccnc(N2CCN(C(CO)CO)C[C@@H](O)C2)c1	ZINC000216950003	374138361	/nfs/dbraw/zinc/13/83/61/374138361.db2.gz	UDCKXXWCQVMUTB-CYBMUJFWSA-N	0	1	292.339	-1.211	50	30		CAEAMN
[NH3+][C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)COS(=O)(=O)[O-]	ZINC000255983829	262742360	/nfs/dbraw/zinc/74/23/60/262742360.db2.gz	KRCSEEITTBNSQS-DPYQTVNSSA-N	0	1	259.236	-3.585	50	30		CAEAMN
[NH3+][C@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)COS(=O)(=O)[O-]	ZINC000215934740	303479064	/nfs/dbraw/zinc/47/90/64/303479064.db2.gz	KRCSEEITTBNSQS-VANKVMQKSA-N	0	1	259.236	-3.585	50	30		CAEAMN
C=CCNC(=S)NC=C1C(=O)NC(=O)NC1=O	ZINC000013545694	582273646	/nfs/dbraw/zinc/27/36/46/582273646.db2.gz	NYMBNSWXYHDBHB-UHFFFAOYSA-N	0	1	254.271	-1.114	50	30		CAEAMN
C#CCNC(=O)[C@@H](NC(=O)NCc1nnc[nH]1)[C@@H](C)O	ZINC000426662090	656117819	/nfs/dbraw/zinc/11/78/19/656117819.db2.gz	JBKOYMVZMXJUTK-APPZFPTMSA-N	0	1	280.288	-1.897	50	30		CAEAMN
[NH3+][C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)COS(=O)(=O)[O-]	ZINC000255983830	409412567	/nfs/dbraw/zinc/41/25/67/409412567.db2.gz	KRCSEEITTBNSQS-ZXXMMSQZSA-N	0	1	259.236	-3.585	50	30		CAEAMN
C=CCn1c2c([nH]c1=NN)n(C)c(=O)n(C)c2=O	ZINC000003622773	372785802	/nfs/dbraw/zinc/78/58/02/372785802.db2.gz	OATDFXSNOPGDBZ-UHFFFAOYSA-N	0	1	250.262	-1.095	50	30		CAEAMN
[NH3+][C@H](C=O)[C@H](O)[C@H](O)[C@H](O)COS(=O)(=O)[O-]	ZINC000100657482	372897600	/nfs/dbraw/zinc/89/76/00/372897600.db2.gz	KRCSEEITTBNSQS-ARQDHWQXSA-N	0	1	259.236	-3.585	50	30		CAEAMN