smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(N)c(C(=O)C[N@H+](CC)Cc2cnn(C)c2)c(=O)[nH]c1=O	ZINC000161093742	378326261	/nfs/dbraw/zinc/32/62/61/378326261.db2.gz	XJDIMKKIANMJMQ-UHFFFAOYSA-N	1	2	334.380	-0.423	20	70		EBIDLO
CCn1c(N)c(C(=O)C[N@@H+](CC)Cc2cnn(C)c2)c(=O)[nH]c1=O	ZINC000161093742	378326269	/nfs/dbraw/zinc/32/62/69/378326269.db2.gz	XJDIMKKIANMJMQ-UHFFFAOYSA-N	1	2	334.380	-0.423	20	70		EBIDLO
Cn1c(=O)cccc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1	ZINC000160201462	377257134	/nfs/dbraw/zinc/25/71/34/377257134.db2.gz	LDTNFUWFFSRBQT-UHFFFAOYSA-N	1	2	342.403	-0.273	20	70		EBIDLO
CCOCCN1CC[NH+](CCc2cn(CC(=O)OC)nn2)CC1	ZINC000159917852	377223394	/nfs/dbraw/zinc/22/33/94/377223394.db2.gz	RLSCCZLBVYBPGL-UHFFFAOYSA-N	1	2	325.413	-0.352	20	70		EBIDLO
CNS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCN(C)CC2)co1	ZINC000160193608	377320763	/nfs/dbraw/zinc/32/07/63/377320763.db2.gz	VCDLLKKHLLEENM-UHFFFAOYSA-N	1	2	344.437	-0.445	20	70		EBIDLO
O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc(-c2nc[nH]n2)c1	ZINC000159828137	377314420	/nfs/dbraw/zinc/31/44/20/377314420.db2.gz	SMWZDFGBKOFOJC-CQSZACIVSA-N	1	2	331.376	-0.105	20	70		EBIDLO
O=C(CNC(=O)c1cccc2[nH]cnc21)NCC[NH+]1CCOCC1	ZINC000159493471	376507359	/nfs/dbraw/zinc/50/73/59/376507359.db2.gz	HWSFRTGDXXQUKN-UHFFFAOYSA-N	1	2	331.376	-0.259	20	70		EBIDLO
O=C(CN1CC[NH2+]CC1=O)N1CCN(Cc2cccc(F)c2)C(=O)C1	ZINC000161013720	419047253	/nfs/dbraw/zinc/04/72/53/419047253.db2.gz	YCYXAVPKAQZFQD-UHFFFAOYSA-N	1	2	348.378	-0.572	20	70		EBIDLO
CC(=O)N1CCN(C(=O)CN2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000161163147	377337976	/nfs/dbraw/zinc/33/79/76/377337976.db2.gz	BJLUIMJQOSIUSZ-UHFFFAOYSA-N	1	2	345.447	-0.110	20	70		EBIDLO
CC(=O)N1CCN(C(=O)C[NH+]2CCN(Cc3ccncc3)CC2)CC1	ZINC000161163147	377337988	/nfs/dbraw/zinc/33/79/88/377337988.db2.gz	BJLUIMJQOSIUSZ-UHFFFAOYSA-N	1	2	345.447	-0.110	20	70		EBIDLO
C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)C[C@@H]21	ZINC000159730920	377003911	/nfs/dbraw/zinc/00/39/11/377003911.db2.gz	CGLJAPVCMDGYJR-QLFBSQMISA-N	1	2	332.404	-0.193	20	70		EBIDLO
C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)C[C@@H]21	ZINC000159730920	377003917	/nfs/dbraw/zinc/00/39/17/377003917.db2.gz	CGLJAPVCMDGYJR-QLFBSQMISA-N	1	2	332.404	-0.193	20	70		EBIDLO
O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccc(-c2nc[nH]n2)c1	ZINC000159828008	377313802	/nfs/dbraw/zinc/31/38/02/377313802.db2.gz	SMWZDFGBKOFOJC-AWEZNQCLSA-N	1	2	331.376	-0.105	20	70		EBIDLO
CC(C)n1cc[nH+]c1CN1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000160726358	380885274	/nfs/dbraw/zinc/88/52/74/380885274.db2.gz	RGUVFRCHJISWIP-UHFFFAOYSA-N	1	2	349.435	-0.033	20	70		EBIDLO
CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)Cc1cnn(C)c1	ZINC000161130446	378329775	/nfs/dbraw/zinc/32/97/75/378329775.db2.gz	VLUINGFRGBBPCB-UHFFFAOYSA-N	1	2	345.469	-0.360	20	70		EBIDLO
CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)Cc1cnn(C)c1	ZINC000161130446	378329781	/nfs/dbraw/zinc/32/97/81/378329781.db2.gz	VLUINGFRGBBPCB-UHFFFAOYSA-N	1	2	345.469	-0.360	20	70		EBIDLO
Cc1cc(C(=O)NCc2[nH]cc[nH+]2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000159865618	524113600	/nfs/dbraw/zinc/11/36/00/524113600.db2.gz	UYDIHHKSLXRVGJ-UHFFFAOYSA-N	1	2	328.332	-0.406	20	70		EBIDLO