smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H]1[C@H](C(=O)N(CC[NH3+])CCc2ccccc2)OC(C(=O)[O-])=C[C@@H]1N	ZINC000013778775	210089949	/nfs/dbraw/zinc/08/99/49/210089949.db2.gz	HSZMTMCLMZJVKO-USXIJHARSA-N	0	3	390.440	-0.784	1	0		GBAFHN
NC[C@H]1O[C@@H](n2cc(I)c3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013809475	207001553	/nfs/dbraw/zinc/00/15/53/207001553.db2.gz	SRBPVSSBBJGNEB-IOSLPCCCSA-N	0	3	391.169	-0.804	1	0		GBAFHN
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1CCN(C)CC1	ZINC000020531847	210343698	/nfs/dbraw/zinc/34/36/98/210343698.db2.gz	INBZBWOUCWZQFQ-UHFFFAOYSA-N	0	3	392.500	-0.006	1	0		GBAFHN
CC(C)C(=O)NCCNC[C@@H](O)COc1ccccc1OCC(=O)NCCO	ZINC000027109775	207322001	/nfs/dbraw/zinc/32/20/01/207322001.db2.gz	GRPRFBUBJXAFCI-OAHLLOKOSA-N	0	3	397.472	-0.725	1	0		GBAFHN
CC(C)C(=O)NCCNC[C@H](O)COc1ccccc1OCC(=O)NCCO	ZINC000027109777	207322475	/nfs/dbraw/zinc/32/24/75/207322475.db2.gz	GRPRFBUBJXAFCI-HNNXBMFYSA-N	0	3	397.472	-0.725	1	0		GBAFHN
CN(C)c1cccc2c1cccc2S(=O)(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O	ZINC000028763781	581100049	/nfs/dbraw/zinc/10/00/49/581100049.db2.gz	YQDDYECBODRLCI-DTDBQYNISA-N	0	3	395.481	-0.761	1	0		GBAFHN
CN(C)c1cccc2c1cccc2S(=O)(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@H]1O	ZINC000028763783	581100010	/nfs/dbraw/zinc/10/00/10/581100010.db2.gz	YQDDYECBODRLCI-KNCCTNLNSA-N	0	3	395.481	-0.761	1	0		GBAFHN
CN(C)c1cccc2c1cccc2S(=O)(=O)NC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000038626893	581100016	/nfs/dbraw/zinc/10/00/16/581100016.db2.gz	YQDDYECBODRLCI-DTTOXWODSA-N	0	3	395.481	-0.761	1	0		GBAFHN
CN[C@@H](C[C@@H](O)C1=C(C(=O)[O-])N2C(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H]1C)S[C@@H]1CC[NH2+]C1	ZINC000072266268	222218989	/nfs/dbraw/zinc/21/89/89/222218989.db2.gz	FGPFWOYVEAEOTH-JAXRQLDMSA-N	0	3	399.513	-0.426	1	0	in-man	GBAFHN
CN[C@@H](C[C@H](O)C1=C(C(=O)[O-])N2C(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H]1C)S[C@@H]1CC[NH2+]C1	ZINC000072266269	205319465	/nfs/dbraw/zinc/31/94/65/205319465.db2.gz	FGPFWOYVEAEOTH-VCVDJUOISA-N	0	3	399.513	-0.426	1	0	in-man	GBAFHN
CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1[C@@]23C	ZINC000073161198	211124404	/nfs/dbraw/zinc/12/44/04/211124404.db2.gz	JEIWLRBHCNVSAV-RKMYCWCFSA-N	0	3	382.409	-0.863	1	0		GBAFHN
CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)C(C)C	ZINC000073389826	211127520	/nfs/dbraw/zinc/12/75/20/211127520.db2.gz	YSEHSEQCOYZGKG-YTFOTSKYSA-N	0	3	399.536	-0.369	1	0		GBAFHN
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](C)C(N)=O	ZINC000082152138	208083782	/nfs/dbraw/zinc/08/37/82/208083782.db2.gz	SDJOWGVRIQFCHH-YTFOTSKYSA-N	0	3	399.536	-0.369	1	0		GBAFHN
[NH3+]CCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN([O-])C=O	ZINC000084654824	205397576	/nfs/dbraw/zinc/39/75/76/205397576.db2.gz	AQHGRNKKKVCCCR-CABCVRRESA-N	0	3	397.476	-0.194	1	0		GBAFHN
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H](NCC(N)=O)C1	ZINC000084707629	205399254	/nfs/dbraw/zinc/39/92/54/205399254.db2.gz	NPNVBNQAFUBNRX-PMPSAXMXSA-N	0	3	383.537	-0.043	1	0		GBAFHN
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H](NCC(N)=O)C1	ZINC000084707714	205398475	/nfs/dbraw/zinc/39/84/75/205398475.db2.gz	NPNVBNQAFUBNRX-JYJNAYRXSA-N	0	3	383.537	-0.043	1	0		GBAFHN
CCc1cc(N2CCC(N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nc(N(C)C)n1	ZINC000095505494	136180077	/nfs/dbraw/zinc/18/00/77/136180077.db2.gz	ZJKBMLNSLUDREG-HUUCEWRRSA-N	0	3	383.518	-0.179	1	0		GBAFHN
CO[C@H]1N[C@H]([C@H](O)CCC[C@@H](O)CCCCC(=O)CCCO)[C@@H](O)[C@@H]1O	ZINC000095909872	291095163	/nfs/dbraw/zinc/09/51/63/291095163.db2.gz	JQEXPIWMLFOZCF-SCBNPTDVSA-N	0	3	377.478	-0.553	1	0	biogenic,in-vitro	GBAFHN
CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1[C@@]23C	ZINC000095911459	291094554	/nfs/dbraw/zinc/09/45/54/291094554.db2.gz	MZSZRJCNACFRAD-DTYJITJSSA-N	0	3	382.409	-0.721	1	0	biogenic,in-vitro	GBAFHN