smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(C)=O	ZINC000003929021	204021457	/nfs/dbraw/zinc/02/14/57/204021457.db2.gz	ZNRGSYNQOLEMKF-CGTJXYLNSA-N	-1	3	389.452	0.667	1	0	in-vitro	GCAFHM
COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)O[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2	ZINC000058532930	205177710	/nfs/dbraw/zinc/17/77/10/205177710.db2.gz	BCISGTOXCLDNRV-RKRBDWRZSA-N	-1	3	384.429	0.204	1	0		GCAFHM
CC(=O)OC[C@H]1O[C@@H](n2cc(C(F)F)c(=O)[n-]c2=O)[C@@H](F)[C@@H]1OC(C)=O	ZINC000096902571	211350800	/nfs/dbraw/zinc/35/08/00/211350800.db2.gz	GHZJWBBKWPQBMD-BSTOTGJRSA-N	-1	3	380.275	0.205	1	0		GCAFHM
CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)P(=O)([O-])[O-]	ZINC000003800967	204020214	/nfs/dbraw/zinc/02/02/14/204020214.db2.gz	KDEJBQFBTRARSA-IHRRRGAJSA-N	-1	3	394.453	0.264	1	0		GCAFHM
C[C@@H]1CCC(C(=O)[O-])=C(NC(=O)[C@@H]([NH3+])Cc2nc(-c3ccc([O-])cn3)no2)C1	ZINC000071418534	211048894	/nfs/dbraw/zinc/04/88/94/211048894.db2.gz	AZRYCCXGUQHARW-SKDRFNHKSA-N	-1	3	387.396	0.982	1	0		GCAFHM
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	ZINC000029123089	210540091	/nfs/dbraw/zinc/54/00/91/210540091.db2.gz	NZQJBOIAQOYSNK-YTFOTSKYSA-N	-1	3	398.504	0.081	1	0		GCAFHM
CN1CCNC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C	ZINC000023361061	210442400	/nfs/dbraw/zinc/44/24/00/210442400.db2.gz	AHOZQSJDGWQTGZ-CYBMUJFWSA-N	-1	3	375.404	0.131	1	0		GCAFHM
O=C(OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc([O-])cc1	ZINC000095909863	291102870	/nfs/dbraw/zinc/10/28/70/291102870.db2.gz	FTFZXPBVBBJTHV-ILYVXUQDSA-N	-1	3	392.360	0.141	1	0	biogenic,in-vitro	GCAFHM
[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000059586267	560082938	/nfs/dbraw/zinc/08/29/38/560082938.db2.gz	ICKZLALRLAHODG-QEBXCZSESA-N	-1	3	376.361	0.404	1	0	biogenic,in-vitro	GCAFHM
CCOC(=S)[N-]Cc1ccc(O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1	ZINC000014444133	574413397	/nfs/dbraw/zinc/41/33/97/574413397.db2.gz	NZQNGCULBWTLGQ-DHIJGFHKSA-N	-1	3	399.465	0.875	1	0	endogenous,in-man	GCAFHM
CC(=O)N[C@H]1[C@H](C(=O)N(CCc2ccccc2)C(C)C)OC(C(=O)[O-])=C[C@@H]1N	ZINC000013778773	210089602	/nfs/dbraw/zinc/08/96/02/210089602.db2.gz	JPWICWCKANHMHT-CGTJXYLNSA-N	-1	3	389.452	0.665	1	0		GCAFHM
CC(=O)N[C@H]1[C@H](C(=O)N(CCc2ccccc2)C2CC2)OC(C(=O)[O-])=C[C@@H]1N	ZINC000013778777	581098692	/nfs/dbraw/zinc/09/86/92/581098692.db2.gz	QNEUCNRFTPZVRD-CGTJXYLNSA-N	-1	3	387.436	0.419	1	0		GCAFHM
NCC(=O)N[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C1	ZINC000013650520	210075955	/nfs/dbraw/zinc/07/59/55/210075955.db2.gz	WQRWDCIVVUWKOU-SNVBAGLBSA-N	-1	3	388.399	0.827	1	0		GCAFHM
NCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1	ZINC000013800463	210091839	/nfs/dbraw/zinc/09/18/39/210091839.db2.gz	ARKRQADAPHFWFT-UHFFFAOYSA-N	-1	3	384.439	0.032	1	0		GCAFHM
C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)[N-]C1=O	ZINC000059688976	205179722	/nfs/dbraw/zinc/17/97/22/205179722.db2.gz	NCROEDXPKVIJMH-MRXNPFEDSA-N	-1	3	385.417	0.597	1	0		GCAFHM
CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000033832898	560088109	/nfs/dbraw/zinc/08/81/09/560088109.db2.gz	FZUPKYUANHOYBD-JZXZQAMYSA-N	-1	3	378.377	0.235	1	0	biogenic,in-vitro	GCAFHM
CCOC(=S)[N-]Cc1ccc(O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1	ZINC000014444134	574413426	/nfs/dbraw/zinc/41/34/26/574413426.db2.gz	NZQNGCULBWTLGQ-BDNDHPQMSA-N	-1	3	399.465	0.875	1	0	endogenous,in-man	GCAFHM
CCCC[C@H](CN([O-])C=O)C(=O)N[C@H](C(=O)N1CCN(C)CC1)C(C)(C)C	ZINC000013537118	581092688	/nfs/dbraw/zinc/09/26/88/581092688.db2.gz	JNMVKWZGRSFVRI-HZPDHXFCSA-N	-1	3	384.521	0.945	1	0		GCAFHM
CC(=O)OC[C@@H]1C[C@H](n2cc(Br)c(=O)[n-]c2=O)C[C@@H]1OC(C)=O	ZINC000029343874	207359988	/nfs/dbraw/zinc/35/99/88/207359988.db2.gz	KABDUHSYEFCKLN-NHCYSSNCSA-N	-1	3	389.202	0.745	1	0		GCAFHM
NCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000013800461	221288986	/nfs/dbraw/zinc/28/89/86/221288986.db2.gz	CPMVWEHWZXUYFV-UHFFFAOYSA-N	-1	3	384.439	0.032	1	0		GCAFHM
CC(=O)OC[C@@H]1C[C@@H](n2cc(Br)c(=O)[n-]c2=O)C[C@@H]1OC(C)=O	ZINC000029343870	207359476	/nfs/dbraw/zinc/35/94/76/207359476.db2.gz	KABDUHSYEFCKLN-UMNHJUIQSA-N	-1	3	389.202	0.745	1	0		GCAFHM
[NH3+]CCC[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013599922	221276928	/nfs/dbraw/zinc/27/69/28/221276928.db2.gz	OZPFXIPKGLHUDK-ULQDDVLXSA-N	-1	3	391.468	0.845	1	0		GCAFHM
CN1Cc2cc(C(=O)NCCNc3ncc[nH]3)ccc2N[C@@H](CC(=O)[O-])C1=O	ZINC000029481253	207363020	/nfs/dbraw/zinc/36/30/20/207363020.db2.gz	VMCREQBBFYDYNW-AWEZNQCLSA-N	-1	3	386.412	0.479	1	0		GCAFHM
CCOC(=S)[N-]Cc1ccc(O[C@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1	ZINC000014444136	574413400	/nfs/dbraw/zinc/41/34/00/574413400.db2.gz	NZQNGCULBWTLGQ-GFVQHMJJSA-N	-1	3	399.465	0.875	1	0	endogenous,in-man	GCAFHM
[O-]N=c1nc[nH]c2c1c(I)cn2COC(CO)CO	ZINC000026143788	207310367	/nfs/dbraw/zinc/31/03/67/207310367.db2.gz	YWVXVZIHFIURBJ-UHFFFAOYSA-N	-1	3	380.142	0.164	1	0		GCAFHM
CCCN(Cc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@@H](N)[C@H]1NC(C)=O	ZINC000028015865	207333733	/nfs/dbraw/zinc/33/37/33/207333733.db2.gz	OBRFFAUWYCOFJW-DJIMGWMZSA-N	-1	3	375.425	0.625	1	0		GCAFHM
CC(=O)OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[n-]c2=O)[C@@H](F)[C@@H]1OC(C)=O	ZINC000096902608	208327325	/nfs/dbraw/zinc/32/73/25/208327325.db2.gz	QNEOSJLDGFEFEZ-DTHBNOIPSA-N	-1	3	398.265	0.286	1	0		GCAFHM
CC(=O)c1c(C)cc2cccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2c1[O-]	ZINC000014412851	221310068	/nfs/dbraw/zinc/31/00/68/221310068.db2.gz	FZUPKYUANHOYBD-HJLQZSMCSA-N	-1	3	378.377	0.235	1	0		GCAFHM
O=C([O-])CN1CCN2CC[NH+](CC(=O)[O-])CCN(CC1)CCCCCCCC2	ZINC000022039990	207246687	/nfs/dbraw/zinc/24/66/87/207246687.db2.gz	GWOCADJLDQSWMA-UHFFFAOYSA-N	-1	3	398.548	0.731	1	0		GCAFHM
CCCN(Cc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@@H](N)[C@@H]1NC(C)=O	ZINC000028015855	207333539	/nfs/dbraw/zinc/33/35/39/207333539.db2.gz	OBRFFAUWYCOFJW-HYVNUMGLSA-N	-1	3	375.425	0.625	1	0		GCAFHM
[NH3+]CCC[C@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013599923	221276801	/nfs/dbraw/zinc/27/68/01/221276801.db2.gz	OZPFXIPKGLHUDK-BBWFWOEESA-N	-1	3	391.468	0.845	1	0		GCAFHM
O=c1[n-]cnc2c1nc(SCc1ccccc1)n2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000013454269	221268817	/nfs/dbraw/zinc/26/88/17/221268817.db2.gz	CNMCFXDTJZNDME-KBNOKHGBSA-N	-1	3	390.421	0.023	1	0		GCAFHM
CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2c1[O-]	ZINC000014412848	221309915	/nfs/dbraw/zinc/30/99/15/221309915.db2.gz	FZUPKYUANHOYBD-NOFZEOBUSA-N	-1	3	378.377	0.235	1	0		GCAFHM
CCOC(=S)[N-]Cc1ccc(O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1	ZINC000014444131	574413419	/nfs/dbraw/zinc/41/34/19/574413419.db2.gz	NZQNGCULBWTLGQ-YTWYBYMMSA-N	-1	3	399.465	0.875	1	0	endogenous,in-man	GCAFHM
CCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(C)=O	ZINC000013778761	581098229	/nfs/dbraw/zinc/09/82/29/581098229.db2.gz	AYQRQGLLNSQUHF-USXIJHARSA-N	-1	3	375.425	0.277	1	0		GCAFHM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3C[C@@H](NC)[C@H](NC)C3)c(F)c21	ZINC000027563689	207326680	/nfs/dbraw/zinc/32/66/80/207326680.db2.gz	WEOFSGMQVYUFLP-CHWSQXEVSA-N	-1	3	380.395	0.994	1	0		GCAFHM
Nc1c(F)c(N2CCN[C@@H](CO)C2)c(F)c2c1c(=O)c(C(=O)[O-])cn2C1CC1	ZINC000029399212	207361939	/nfs/dbraw/zinc/36/19/39/207361939.db2.gz	TVCMQQQBWCLBHT-MRVPVSSYSA-N	-1	3	394.378	0.666	1	0		GCAFHM