smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccccc1	ZINC000004899753	204175084	/nfs/dbraw/zinc/17/50/84/204175084.db2.gz	UHCNIPHINRNOFE-LBPRGKRZSA-N	1	1	363.422	-1.552	10	0		FAAEMO
C[NH+]1CCN([C@H]2[C@@H](CNC(=O)N3CCOCC3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465110	220328447	/nfs/dbraw/zinc/32/84/47/220328447.db2.gz	JVEIWNAIQOZJRL-CBBWQLFWSA-N	1	1	358.439	-2.235	10	0		FAAEMO
N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039833728	208366586	/nfs/dbraw/zinc/36/65/86/208366586.db2.gz	CRJZZXMAADSBBQ-SRVKXCTJSA-N	1	1	361.443	-2.382	10	0		FAAEMO
O=C(N[C@H]1C[NH2+][C@H](C(=O)NCc2nn[nH]n2)C1)c1ccc2c(c1)OCO2	ZINC000067603577	483727446	/nfs/dbraw/zinc/72/74/46/483727446.db2.gz	HUJVNRCVGPYPEF-ZJUUUORDSA-N	1	1	359.346	-1.295	10	0		FAAEMO
COCCNc1nc(NC[C@H](O)COC)[nH+]c(NC[C@H](O)COC)n1	ZINC000083911680	658865550	/nfs/dbraw/zinc/86/55/50/658865550.db2.gz	BGVKTCKOSFRGLZ-QWRGUYRKSA-N	1	1	360.415	-1.232	10	0		FAAEMO
COCCNc1nc(NC[C@@H](O)COC)[nH+]c(NC[C@@H](O)COC)n1	ZINC000083911692	658865769	/nfs/dbraw/zinc/86/57/69/658865769.db2.gz	BGVKTCKOSFRGLZ-GHMZBOCLSA-N	1	1	360.415	-1.232	10	0		FAAEMO
C[C@@H](O)C[N@H+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1C	ZINC000106099975	482655953	/nfs/dbraw/zinc/65/59/53/482655953.db2.gz	XSCAEUVOJKUHIM-GHMZBOCLSA-N	1	1	350.423	-1.153	10	0		FAAEMO
C[C@@H](O)C[N@H+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1C	ZINC000106099978	482656702	/nfs/dbraw/zinc/65/67/02/482656702.db2.gz	XSCAEUVOJKUHIM-WDEREUQCSA-N	1	1	350.423	-1.153	10	0		FAAEMO
COC(=O)/C=C/c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH+]c(N)c12	ZINC000146472903	482534308	/nfs/dbraw/zinc/53/43/08/482534308.db2.gz	HYYVUYTZWHPNHI-QHWOSUPLSA-N	1	1	350.331	-1.189	10	0		FAAEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1	ZINC000181611619	483266032	/nfs/dbraw/zinc/26/60/32/483266032.db2.gz	CPDMLFSVDYKBPS-OAHLLOKOSA-N	1	1	366.466	-1.165	10	0		FAAEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1	ZINC000181611641	483266391	/nfs/dbraw/zinc/26/63/91/483266391.db2.gz	CPDMLFSVDYKBPS-HNNXBMFYSA-N	1	1	366.466	-1.165	10	0		FAAEMO
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000261947819	483307681	/nfs/dbraw/zinc/30/76/81/483307681.db2.gz	NVHMUJLZLPNQFN-OLZOCXBDSA-N	1	1	362.452	-1.916	10	0		FAAEMO
C[C@H]1CN(S(=O)(=O)N2CCN(Cc3noc(C[NH3+])n3)CC2)C[C@H](C)O1	ZINC000262184889	483310085	/nfs/dbraw/zinc/31/00/85/483310085.db2.gz	JCAWNACHCAOUDG-RYUDHWBXSA-N	1	1	374.467	-1.000	10	0		FAAEMO
C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3noc(C[NH3+])n3)CC2)C[C@H](C)O1	ZINC000262184893	483309369	/nfs/dbraw/zinc/30/93/69/483309369.db2.gz	JCAWNACHCAOUDG-TXEJJXNPSA-N	1	1	374.467	-1.000	10	0		FAAEMO
C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3noc(C[NH3+])n3)CC2)C[C@@H](C)O1	ZINC000262184896	483310274	/nfs/dbraw/zinc/31/02/74/483310274.db2.gz	JCAWNACHCAOUDG-VXGBXAGGSA-N	1	1	374.467	-1.000	10	0		FAAEMO
CN1CCN(S(=O)(=O)N2CCN(Cc3noc(C[NH3+])n3)CC2)CC1	ZINC000262281295	483309548	/nfs/dbraw/zinc/30/95/48/483309548.db2.gz	USCTYYRDCJBYSU-UHFFFAOYSA-N	1	1	359.456	-1.862	10	0		FAAEMO
CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)N(S(C)(=O)=O)C1	ZINC000366083895	483282132	/nfs/dbraw/zinc/28/21/32/483282132.db2.gz	HQASUVSLSKRUOQ-RFQIPJPRSA-N	1	1	363.480	-1.051	10	0		FAAEMO
CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)N(S(C)(=O)=O)C1	ZINC000366083895	483282122	/nfs/dbraw/zinc/28/21/22/483282122.db2.gz	HQASUVSLSKRUOQ-RFQIPJPRSA-N	1	1	363.480	-1.051	10	0		FAAEMO
CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)N(S(C)(=O)=O)C1	ZINC000366083899	483282840	/nfs/dbraw/zinc/28/28/40/483282840.db2.gz	HQASUVSLSKRUOQ-XDQVBPFNSA-N	1	1	363.480	-1.051	10	0		FAAEMO
CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)N(S(C)(=O)=O)C1	ZINC000366083899	483282836	/nfs/dbraw/zinc/28/28/36/483282836.db2.gz	HQASUVSLSKRUOQ-XDQVBPFNSA-N	1	1	363.480	-1.051	10	0		FAAEMO
CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)N(S(C)(=O)=O)C1	ZINC000366083900	483282399	/nfs/dbraw/zinc/28/23/99/483282399.db2.gz	HQASUVSLSKRUOQ-YIYPIFLZSA-N	1	1	363.480	-1.051	10	0		FAAEMO
CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)N(S(C)(=O)=O)C1	ZINC000366083900	483282395	/nfs/dbraw/zinc/28/23/95/483282395.db2.gz	HQASUVSLSKRUOQ-YIYPIFLZSA-N	1	1	363.480	-1.051	10	0		FAAEMO
CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)N(S(C)(=O)=O)C1	ZINC000366083902	483282668	/nfs/dbraw/zinc/28/26/68/483282668.db2.gz	HQASUVSLSKRUOQ-ZOBORPQBSA-N	1	1	363.480	-1.051	10	0		FAAEMO
CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)N(S(C)(=O)=O)C1	ZINC000366083902	483282663	/nfs/dbraw/zinc/28/26/63/483282663.db2.gz	HQASUVSLSKRUOQ-ZOBORPQBSA-N	1	1	363.480	-1.051	10	0		FAAEMO