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)Nc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)[nH]c1=O	ZINC000002746415	568806236	/nfs/dbraw/zinc/80/62/36/568806236.db2.gz	PITQUPDYPIREON-UHFFFAOYSA-N	0	1	413.437	-1.477	50	0		HAAAMN
CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000004217500	557529631	/nfs/dbraw/zinc/52/96/31/557529631.db2.gz	LQZAIAZUDWIVPM-SRVKXCTJSA-N	0	1	405.415	-2.146	50	0	in-man	HAAAMN
CC(=O)OC[C@H]1O[C@@H](c2nn[nH]n2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008626833	569389951	/nfs/dbraw/zinc/38/99/51/569389951.db2.gz	VKNLELDKGFXCBY-MBJXGIAVSA-N	0	1	400.344	-1.002	50	0		HAAAMN
CC(=O)OC[C@H]1O[C@@H](c2nn[nH]n2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012339479	558386002	/nfs/dbraw/zinc/38/60/02/558386002.db2.gz	VKNLELDKGFXCBY-RKQHYHRCSA-N	0	1	400.344	-1.002	50	0		HAAAMN
CC(C)N1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000012655829	569402449	/nfs/dbraw/zinc/40/24/49/569402449.db2.gz	MXUWOPKTHSKITL-SDBHATRESA-N	0	1	409.447	-2.156	50	0	biogenic	HAAAMN
CN1CCN(C[C@@H](O)Cn2c3c(nc2N2CCOCC2)n(C)c(=O)n(C)c3=O)CC1	ZINC000020458272	558371267	/nfs/dbraw/zinc/37/12/67/558371267.db2.gz	URYAEERAXKEFMR-CQSZACIVSA-N	0	1	421.502	-2.121	50	0		HAAAMN
CN1CCN(C[C@H](O)Cn2c3c(nc2N2CCOCC2)n(C)c(=O)n(C)c3=O)CC1	ZINC000020458274	558371288	/nfs/dbraw/zinc/37/12/88/558371288.db2.gz	URYAEERAXKEFMR-AWEZNQCLSA-N	0	1	421.502	-2.121	50	0		HAAAMN
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCCC[C@@H]1C(N)=O	ZINC000022341449	1070827223	/nfs/dbraw/zinc/82/72/23/1070827223.db2.gz	XZUYPZAYUUCGMV-VBNZEHGJSA-N	0	1	419.482	-1.251	50	0		HAAAMN
C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCCC[C@@H]1C(N)=O	ZINC000022341459	1070827509	/nfs/dbraw/zinc/82/75/09/1070827509.db2.gz	XZUYPZAYUUCGMV-APHBMKBZSA-N	0	1	419.482	-1.251	50	0		HAAAMN
Cc1c(C)n2c(nc3c2c(=O)n(CC(N)=O)c(=O)n3C)n1CCCN1CCOCC1	ZINC000022513825	558493591	/nfs/dbraw/zinc/49/35/91/558493591.db2.gz	SIZAIGPVDZFLEK-UHFFFAOYSA-N	0	1	417.470	-1.026	50	0		HAAAMN
Cc1cn2c(nc3c2c(=O)n(CC(N)=O)c(=O)n3C)n1CCCN1CCOCC1	ZINC000022513835	558493544	/nfs/dbraw/zinc/49/35/44/558493544.db2.gz	NIKTXKJCLRNNGA-UHFFFAOYSA-N	0	1	403.443	-1.335	50	0		HAAAMN
CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC1	ZINC000022910045	558519490	/nfs/dbraw/zinc/51/94/90/558519490.db2.gz	XHJABLHWLCHNLB-UHFFFAOYSA-N	0	1	405.503	-1.487	50	0		HAAAMN
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC1	ZINC000022923889	558522767	/nfs/dbraw/zinc/52/27/67/558522767.db2.gz	FAQUXOLULWVEOJ-UHFFFAOYSA-N	0	1	419.530	-1.097	50	0		HAAAMN
C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCCC[C@H]1C(N)=O	ZINC000043199473	1071769691	/nfs/dbraw/zinc/76/96/91/1071769691.db2.gz	XZUYPZAYUUCGMV-MAZHCROVSA-N	0	1	419.482	-1.251	50	0		HAAAMN
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(N)=O	ZINC000071766835	558910662	/nfs/dbraw/zinc/91/06/62/558910662.db2.gz	FNCYCYVNGSFAET-KBPBESRZSA-N	0	1	409.512	-1.488	50	0		HAAAMN
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O	ZINC000071773625	558840878	/nfs/dbraw/zinc/84/08/78/558840878.db2.gz	GIBQQARAXHVEGD-BSOLPCOYSA-N	0	1	413.475	-2.973	50	0	investigational	HAAAMN
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCCC[C@H]1C(N)=O	ZINC000828911270	1071664147	/nfs/dbraw/zinc/66/41/47/1071664147.db2.gz	XZUYPZAYUUCGMV-RCBQFDQVSA-N	0	1	419.482	-1.251	50	0		HAAAMN