smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)n1c(=O)cc2n(c3cc(F)c(N4CCNCC4)cc3n2C2CC2)c1=O	ZINC000013650484	210076482	/nfs/dbraw/zinc/07/64/82/210076482.db2.gz	VLKOOEGTXHTDKY-UHFFFAOYSA-N	0	3	386.431	0.497	1	0		GCAFHN
CCOC(=O)C[C@H](NC(=O)[C@@H](N)C(C)C)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	ZINC000098084065	211379121	/nfs/dbraw/zinc/37/91/21/211379121.db2.gz	VZWUEEMBFVEBOP-AHDJHLLFSA-N	0	3	388.461	0.299	1	0		GCAFHN
CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CC1	ZINC000095605043	211281855	/nfs/dbraw/zinc/28/18/55/211281855.db2.gz	NLWGXBIMKIVVNG-XMTFNYHQSA-N	0	3	386.533	0.343	1	0		GCAFHN
O=c1cc(N2CCNCC2)nc2n(CCN3CCOCC3)c3ccccc3n21	ZINC000095591088	136182386	/nfs/dbraw/zinc/18/23/86/136182386.db2.gz	WKPGKQGFMCFOMH-UHFFFAOYSA-N	0	3	382.468	0.391	1	0		GCAFHN
CC[C@H]1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CCN1	ZINC000064453461	536159870	/nfs/dbraw/zinc/15/98/70/536159870.db2.gz	CEJXJPIDMRXQSQ-JTQLQIEISA-N	0	3	377.420	0.548	1	0		GCAFHN
CCOC(=O)C[C@H](NC(=O)[C@@H](N)C(C)C)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	ZINC000098084063	211379474	/nfs/dbraw/zinc/37/94/74/211379474.db2.gz	VZWUEEMBFVEBOP-YSZIICFESA-N	0	3	388.461	0.299	1	0		GCAFHN
C[C@H](O)[C@@](C)(O)C(=O)OC[C@H]1CCN2CC[C@@H](OC(=O)c3ccccc3O)[C@H]12	ZINC000069482424	291102103	/nfs/dbraw/zinc/10/21/03/291102103.db2.gz	HQNBAGWQDKKAMY-JGYLLYEHSA-N	0	3	393.436	0.687	1	0	biogenic,in-vitro	GCAFHN
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2ccccc2C1	ZINC000064235790	205188376	/nfs/dbraw/zinc/18/83/76/205188376.db2.gz	LAADEPLURXEMDZ-ZZCKCESHSA-N	0	3	388.512	0.653	1	0		GCAFHN
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1	ZINC000014951827	581093977	/nfs/dbraw/zinc/09/39/77/581093977.db2.gz	OCEUKYZNIXMBLL-QEJZJMRPSA-N	0	3	380.514	0.843	1	0		GCAFHN
CN(C)CCNC(=O)C1=CC=C(NCCN(C)C)[C@H]2C(=O)c3ccccc3N[C@H]12	ZINC000100928256	211393960	/nfs/dbraw/zinc/39/39/60/211393960.db2.gz	KTGLOPGTNOFLNR-WOJBJXKFSA-N	0	3	397.523	0.933	1	0		GCAFHN
CCN1CCC[C@H]1CNC(=O)c1cc(N(C)S(N)(=O)=O)c(C)cc1OC	ZINC000040466153	210788095	/nfs/dbraw/zinc/78/80/95/210788095.db2.gz	CEFBFXCEPYASMH-ZDUSSCGKSA-N	0	3	384.502	0.857	1	0		GCAFHN
CC[C@@H]1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CCN1	ZINC000064453460	136156800	/nfs/dbraw/zinc/15/68/00/136156800.db2.gz	CEJXJPIDMRXQSQ-SNVBAGLBSA-N	0	3	377.420	0.548	1	0		GCAFHN
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1	ZINC000014951837	209235112	/nfs/dbraw/zinc/23/51/12/209235112.db2.gz	ZVSVRPUZPIDLBB-SZMVWBNQSA-N	0	3	388.512	0.824	1	0		GCAFHN
CN(C)CCNC(=O)C1=CC=C(NCCN(C)C)[C@@H]2C(=O)c3ccccc3N[C@@H]12	ZINC000100928264	208382419	/nfs/dbraw/zinc/38/24/19/208382419.db2.gz	KTGLOPGTNOFLNR-PMACEKPBSA-N	0	3	397.523	0.933	1	0		GCAFHN
N[C@H]1CN(c2cc(N3CCc4nocc4C3)ncn2)C[C@@H]1N1CCCCC1=O	ZINC000066078726	136164321	/nfs/dbraw/zinc/16/43/21/136164321.db2.gz	FMEOYYNNCIVCTM-HOCLYGCPSA-N	0	3	383.456	0.556	1	0		GCAFHN
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCc2ccccc2C1	ZINC000064235792	222070898	/nfs/dbraw/zinc/07/08/98/222070898.db2.gz	LAADEPLURXEMDZ-USJZOSNVSA-N	0	3	388.512	0.653	1	0		GCAFHN
COC(=O)[C@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)C(C)(C)N	ZINC000096937353	208331880	/nfs/dbraw/zinc/33/18/80/208331880.db2.gz	WBWPMSUWZHHWIA-ZDUSSCGKSA-N	0	3	380.397	0.475	1	0		GCAFHN
CCOC(=O)C[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	ZINC000098084066	208366601	/nfs/dbraw/zinc/36/66/01/208366601.db2.gz	VZWUEEMBFVEBOP-NOVZSBSESA-N	0	3	388.461	0.299	1	0		GCAFHN
NCC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1	ZINC000013534244	221272081	/nfs/dbraw/zinc/27/20/81/221272081.db2.gz	UKMOUADRKGHLMZ-BEFAXECRSA-N	0	3	381.423	0.939	1	0		GCAFHN
CCCN1CCN(CCCNC(=O)c2cc(CN3CCOCC3)on2)CC1	ZINC000020995775	207222739	/nfs/dbraw/zinc/22/27/39/207222739.db2.gz	KBCRKHJGDYLETA-UHFFFAOYSA-N	0	3	379.505	0.654	1	0		GCAFHN
CCCCC[C@H](C[C@@H](O)NO)[C@@H](O)N[C@@H](C(C)C)[C@@H](O)N1CCC[C@@H]1CO	ZINC000027428472	517558827	/nfs/dbraw/zinc/55/88/27/517558827.db2.gz	AZKGCXCHQXZSHC-WVXCVLBUSA-N	0	3	391.553	0.578	1	0		GCAFHN