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)(C)OC(=O)[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000013809549	210092012	/nfs/dbraw/zinc/09/20/12/210092012.db2.gz	ZFCCYFHTOLVOMP-UWVGGRQHSA-N	2	0	375.430	-1.635	1	30		GAEFRP
CN(C(=O)C[C@@H]([NH3+])CCCNC1=[NH+]CCN1)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000026494672	210498028	/nfs/dbraw/zinc/49/80/28/210498028.db2.gz	DHDYMSWROXDEPB-UWVGGRQHSA-N	2	0	381.441	-2.782	1	30		GAEFRP
NC(=[NH2+])NCCCCCCNC(=O)NCC(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026732364	207317999	/nfs/dbraw/zinc/31/79/99/207317999.db2.gz	NRTXHAGBBJGLQS-UHFFFAOYSA-N	2	0	386.545	-1.046	1	30		GAEFRP
CCNC(=[NH2+])NCCC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000027420364	221652847	/nfs/dbraw/zinc/65/28/47/221652847.db2.gz	SGNTUYRGAVOMSA-VHSXEESVSA-N	2	0	383.457	-2.406	1	30		GAEFRP
CCNC(=[NH2+])NCCC[C@H]([NH3+])CC(=O)N(C)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000027420369	221652722	/nfs/dbraw/zinc/65/27/22/221652722.db2.gz	SGNTUYRGAVOMSA-UWVGGRQHSA-N	2	0	383.457	-2.406	1	30		GAEFRP
CNC(=[NH2+])N(C)CCC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000027428143	207325033	/nfs/dbraw/zinc/32/50/33/207325033.db2.gz	DCYMJRGGJYGPIG-VHSXEESVSA-N	2	0	383.457	-2.454	1	30		GAEFRP
C#CCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000028655050	206255670	/nfs/dbraw/zinc/25/56/70/206255670.db2.gz	JCTBKZFTOOOCMB-HOHGDPOMSA-N	3	0	388.421	-4.935	1	30		GAEFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)C=O	ZINC000029468131	207361896	/nfs/dbraw/zinc/36/18/96/207361896.db2.gz	RWYYEVPBPUGHII-QWRGUYRKSA-N	2	0	384.441	-3.149	1	30		GAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)CS)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000049000299	210857491	/nfs/dbraw/zinc/85/74/91/210857491.db2.gz	UXNKXWQZNQGVBR-UWVGGRQHSA-N	2	0	375.499	-2.237	1	30		GAEFRP
CN(C(=O)C[C@@H]([NH3+])C1CCN(C(N)=[NH2+])CC1)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066066476	222136512	/nfs/dbraw/zinc/13/65/12/222136512.db2.gz	YTXBQSDZOFGXTJ-NXEZZACHSA-N	2	0	381.441	-1.869	1	30		GAEFRP
CN(C(=O)C[C@@H]([NH3+])C1CCN(C(N)=[NH2+])CC1)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066066477	222136457	/nfs/dbraw/zinc/13/64/57/222136457.db2.gz	YTXBQSDZOFGXTJ-ZJUUUORDSA-N	2	0	381.441	-1.869	1	30		GAEFRP
CN(C(=O)C[C@@H]([NH3+])CCCN1CC[NH+]=C1N)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066073830	222136762	/nfs/dbraw/zinc/13/67/62/222136762.db2.gz	PBQGKQNZFXGEFF-VHSXEESVSA-N	2	0	381.441	-1.855	1	30		GAEFRP
CN(C(=O)C[C@@H]([NH3+])CCCN1CC[NH+]=C1N)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066073831	222136379	/nfs/dbraw/zinc/13/63/79/222136379.db2.gz	PBQGKQNZFXGEFF-UWVGGRQHSA-N	2	0	381.441	-1.855	1	30		GAEFRP
CN(C)C(=O)N=C1NC[C@H](N(C)C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1	ZINC000066074459	222136636	/nfs/dbraw/zinc/13/66/36/222136636.db2.gz	VEVKGKORHQLKIL-UWVGGRQHSA-N	2	0	383.457	-2.245	1	30		GAEFRP
CN(C(=O)C[C@@H]([NH3+])CC1CCN(C(N)=[NH2+])CC1)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066098103	222137054	/nfs/dbraw/zinc/13/70/54/222137054.db2.gz	XROCDYHIPHPUQL-QWRGUYRKSA-N	2	0	395.468	-1.479	1	30		GAEFRP
CN(C)C(=[NH2+])NCCC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066098821	210999913	/nfs/dbraw/zinc/99/99/13/210999913.db2.gz	AKUYUNLZCBSGFU-VHSXEESVSA-N	2	0	383.457	-1.609	1	30		GAEFRP
CN(C)C(=[NH2+])NCCC[C@H]([NH3+])CC(=O)N(C)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066098823	211000130	/nfs/dbraw/zinc/00/01/30/211000130.db2.gz	AKUYUNLZCBSGFU-UWVGGRQHSA-N	2	0	383.457	-1.609	1	30		GAEFRP
CNC(NCCC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O)=[NH+]C	ZINC000066099292	211000395	/nfs/dbraw/zinc/00/03/95/211000395.db2.gz	JAEVRFFDRFSDQU-VHSXEESVSA-N	2	0	383.457	-1.900	1	30		GAEFRP
CNC(NCCC[C@H]([NH3+])CC(=O)N(C)[C@H]1CNC(=NC(N)=O)NC1=O)=[NH+]C	ZINC000066099293	211001019	/nfs/dbraw/zinc/00/10/19/211001019.db2.gz	JAEVRFFDRFSDQU-UWVGGRQHSA-N	2	0	383.457	-1.900	1	30		GAEFRP
CN(C(=O)C[C@@H]([NH3+])C[C@H]1CCN(C(N)=[NH2+])C1)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066136628	222138804	/nfs/dbraw/zinc/13/88/04/222138804.db2.gz	MJEDKHMQKDAVOQ-KXUCPTDWSA-N	2	0	381.441	-1.869	1	30		GAEFRP
CN(C(=O)C[C@@H]([NH3+])C[C@H]1CCN(C(N)=[NH2+])C1)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066136629	207880114	/nfs/dbraw/zinc/88/01/14/207880114.db2.gz	MJEDKHMQKDAVOQ-UTLUCORTSA-N	2	0	381.441	-1.869	1	30		GAEFRP
C[S@@+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O)[C@@H]1C=C[C@@H]([NH3+])C1	ZINC000169295136	205826800	/nfs/dbraw/zinc/82/68/00/205826800.db2.gz	SIOFTQGEZPWWSG-BGPQISLSSA-N	2	0	379.466	-1.068	1	30		GAEFRP
C[S@+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O)[C@@H]1C=C[C@@H]([NH3+])C1	ZINC000169295137	211632805	/nfs/dbraw/zinc/63/28/05/211632805.db2.gz	SIOFTQGEZPWWSG-SFGWRGHGSA-N	2	0	379.466	-1.068	1	30		GAEFRP