smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCOCC3)[N@@H+]2C1	ZINC000015708229	220162172	/nfs/dbraw/zinc/16/21/72/220162172.db2.gz	DRGQGYNXQOYKDE-XQQFMLRXSA-N	1	2	374.463	-1.884	10	0		FAAELO
CS(=O)(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCOCC3)[N@H+]2C1	ZINC000015708229	220162169	/nfs/dbraw/zinc/16/21/69/220162169.db2.gz	DRGQGYNXQOYKDE-XQQFMLRXSA-N	1	2	374.463	-1.884	10	0		FAAELO
OCCOCCNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1	ZINC000028218630	132374267	/nfs/dbraw/zinc/37/42/67/132374267.db2.gz	BDERUSGNDRZNCU-UHFFFAOYSA-N	1	2	354.411	-1.034	10	0		FAAELO
OCCOCCNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1	ZINC000028218630	132374265	/nfs/dbraw/zinc/37/42/65/132374265.db2.gz	BDERUSGNDRZNCU-UHFFFAOYSA-N	1	2	354.411	-1.034	10	0		FAAELO
Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(=O)n(C)c1=O	ZINC000106176765	482656291	/nfs/dbraw/zinc/65/62/91/482656291.db2.gz	DMRAXBDMFOMRJS-NSHDSACASA-N	1	2	361.406	-1.147	10	0		FAAELO
Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(=O)n(C)c1=O	ZINC000106176765	482656284	/nfs/dbraw/zinc/65/62/84/482656284.db2.gz	DMRAXBDMFOMRJS-NSHDSACASA-N	1	2	361.406	-1.147	10	0		FAAELO
Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(=O)n(C)c1=O	ZINC000106176767	482657204	/nfs/dbraw/zinc/65/72/04/482657204.db2.gz	DMRAXBDMFOMRJS-LLVKDONJSA-N	1	2	361.406	-1.147	10	0		FAAELO
Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(=O)n(C)c1=O	ZINC000106176767	482657201	/nfs/dbraw/zinc/65/72/01/482657201.db2.gz	DMRAXBDMFOMRJS-LLVKDONJSA-N	1	2	361.406	-1.147	10	0		FAAELO
Cc1nnc([C@@H]2C[N@@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)[nH]1	ZINC000173668202	272805270	/nfs/dbraw/zinc/80/52/70/272805270.db2.gz	LVFKDWGNEBYLIU-NSHDSACASA-N	1	2	374.405	-1.066	10	0		FAAELO
Cc1nnc([C@@H]2C[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)[nH]1	ZINC000173668202	272805269	/nfs/dbraw/zinc/80/52/69/272805269.db2.gz	LVFKDWGNEBYLIU-NSHDSACASA-N	1	2	374.405	-1.066	10	0		FAAELO
Cc1nnc([C@H]2C[N@@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)[nH]1	ZINC000173668212	483515430	/nfs/dbraw/zinc/51/54/30/483515430.db2.gz	LVFKDWGNEBYLIU-LLVKDONJSA-N	1	2	374.405	-1.066	10	0		FAAELO
Cc1nnc([C@H]2C[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)[nH]1	ZINC000173668212	483515419	/nfs/dbraw/zinc/51/54/19/483515419.db2.gz	LVFKDWGNEBYLIU-LLVKDONJSA-N	1	2	374.405	-1.066	10	0		FAAELO
C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1	ZINC000194621394	483287506	/nfs/dbraw/zinc/28/75/06/483287506.db2.gz	PQMBFZSXOUOKFZ-MRVPVSSYSA-N	1	2	361.196	-1.254	10	0		FAAELO
C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1	ZINC000194621394	483287499	/nfs/dbraw/zinc/28/74/99/483287499.db2.gz	PQMBFZSXOUOKFZ-MRVPVSSYSA-N	1	2	361.196	-1.254	10	0		FAAELO
C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1	ZINC000194621409	483288243	/nfs/dbraw/zinc/28/82/43/483288243.db2.gz	PQMBFZSXOUOKFZ-QMMMGPOBSA-N	1	2	361.196	-1.254	10	0		FAAELO
C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1	ZINC000194621409	483288239	/nfs/dbraw/zinc/28/82/39/483288239.db2.gz	PQMBFZSXOUOKFZ-QMMMGPOBSA-N	1	2	361.196	-1.254	10	0		FAAELO
CCc1nnc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1C	ZINC000195430987	483531121	/nfs/dbraw/zinc/53/11/21/483531121.db2.gz	AWDSELOSBISYTK-UHFFFAOYSA-N	1	2	371.511	-1.013	10	0		FAAELO
O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1	ZINC000263103690	483311025	/nfs/dbraw/zinc/31/10/25/483311025.db2.gz	ZQERQSNCXVYGFL-JTQLQIEISA-N	1	2	358.345	-1.197	10	0		FAAELO
O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1	ZINC000263103691	483311409	/nfs/dbraw/zinc/31/14/09/483311409.db2.gz	ZQERQSNCXVYGFL-SNVBAGLBSA-N	1	2	358.345	-1.197	10	0		FAAELO
Cn1cc(S(=O)(=O)NC[C@H]2CCn3cc[nH+]c3C2)c(=O)n(C)c1=O	ZINC000328634833	483713547	/nfs/dbraw/zinc/71/35/47/483713547.db2.gz	UHGDLJFVOQVTJN-JTQLQIEISA-N	1	2	353.404	-1.179	10	0		FAAELO
Cn1cc(S(=O)(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c(=O)n(C)c1=O	ZINC000328634834	482961056	/nfs/dbraw/zinc/96/10/56/482961056.db2.gz	UHGDLJFVOQVTJN-SNVBAGLBSA-N	1	2	353.404	-1.179	10	0		FAAELO
Cn1c2ncn(CC[N@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c2c(=O)n(C)c1=O	ZINC000329196063	657770388	/nfs/dbraw/zinc/77/03/88/657770388.db2.gz	UOAOLIGEGNNWSM-WDEREUQCSA-N	1	2	367.431	-1.447	10	0		FAAELO
Cn1c2ncn(CC[N@@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c2c(=O)n(C)c1=O	ZINC000329196063	657770377	/nfs/dbraw/zinc/77/03/77/657770377.db2.gz	UOAOLIGEGNNWSM-WDEREUQCSA-N	1	2	367.431	-1.447	10	0		FAAELO