smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CNCCn2cccn2)c1	ZINC000011815899	1080641843	/nfs/dbraw/zinc/64/18/43/1080641843.db2.gz	GFQKJTXFAJZBSI-LJQANCHMSA-N	1	3	404.511	0.878	50	0		HCAAHO
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CNCCn2cccn2)c1	ZINC000011815900	1080642707	/nfs/dbraw/zinc/64/27/07/1080642707.db2.gz	GFQKJTXFAJZBSI-IBGZPJMESA-N	1	3	404.511	0.878	50	0		HCAAHO
CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1=NNC(=O)CC1	ZINC000012302166	558371813	/nfs/dbraw/zinc/37/18/13/558371813.db2.gz	AKVDIMRGIARBQM-GOSISDBHSA-N	1	3	407.559	0.924	50	0		HCAAHO
CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1=NNC(=O)CC1	ZINC000012302168	558371783	/nfs/dbraw/zinc/37/17/83/558371783.db2.gz	AKVDIMRGIARBQM-SFHVURJKSA-N	1	3	407.559	0.924	50	0		HCAAHO
CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN3CCN(C)CC3)c2)CC1	ZINC000023360907	558552101	/nfs/dbraw/zinc/55/21/01/558552101.db2.gz	CGILPDSFSBHJCU-FQEVSTJZSA-N	1	3	406.571	0.820	50	0		HCAAHO
CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)CN3CCN(C)CC3)c2)CC1	ZINC000023360909	558552205	/nfs/dbraw/zinc/55/22/05/558552205.db2.gz	CGILPDSFSBHJCU-HXUWFJFHSA-N	1	3	406.571	0.820	50	0		HCAAHO
CCN(CC)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1	ZINC000071551676	558905180	/nfs/dbraw/zinc/90/51/80/558905180.db2.gz	KZXKCJHSTJLXTB-IBGZPJMESA-N	1	3	407.603	0.805	50	0		HCAAHO
CCN(CC)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1	ZINC000071551676	558905179	/nfs/dbraw/zinc/90/51/79/558905179.db2.gz	KZXKCJHSTJLXTB-IBGZPJMESA-N	1	3	407.603	0.805	50	0		HCAAHO
CCN(CC)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1	ZINC000071551677	558905194	/nfs/dbraw/zinc/90/51/94/558905194.db2.gz	KZXKCJHSTJLXTB-LJQANCHMSA-N	1	3	407.603	0.805	50	0		HCAAHO
CCN(CC)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1	ZINC000071551677	558905192	/nfs/dbraw/zinc/90/51/92/558905192.db2.gz	KZXKCJHSTJLXTB-LJQANCHMSA-N	1	3	407.603	0.805	50	0		HCAAHO
CN1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CN4CCCC4)CC3)C2)CC1	ZINC000071638935	558906201	/nfs/dbraw/zinc/90/62/01/558906201.db2.gz	PCNPTQVUPJPJSZ-LJQANCHMSA-N	1	3	405.587	0.559	50	0		HCAAHO
CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CN4CCCC4)CC3)C2)CC1	ZINC000071638935	558906200	/nfs/dbraw/zinc/90/62/00/558906200.db2.gz	PCNPTQVUPJPJSZ-LJQANCHMSA-N	1	3	405.587	0.559	50	0		HCAAHO
CN1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CN4CCCC4)CC3)C2)CC1	ZINC000071638938	558906143	/nfs/dbraw/zinc/90/61/43/558906143.db2.gz	PCNPTQVUPJPJSZ-IBGZPJMESA-N	1	3	405.587	0.559	50	0		HCAAHO
CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CN4CCCC4)CC3)C2)CC1	ZINC000071638938	558906139	/nfs/dbraw/zinc/90/61/39/558906139.db2.gz	PCNPTQVUPJPJSZ-IBGZPJMESA-N	1	3	405.587	0.559	50	0		HCAAHO
CN(C)[C@@H]1CC[N@@H+](CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)C1	ZINC000077357878	559002422	/nfs/dbraw/zinc/00/24/22/559002422.db2.gz	ZIPCCNPWFUHYBX-MRXNPFEDSA-N	1	3	403.531	0.876	50	0		HCAAHO
CN(C)[C@@H]1CC[N@H+](CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)C1	ZINC000077357878	559002421	/nfs/dbraw/zinc/00/24/21/559002421.db2.gz	ZIPCCNPWFUHYBX-MRXNPFEDSA-N	1	3	403.531	0.876	50	0		HCAAHO
CN(C)[C@H]1CC[N@@H+](CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)C1	ZINC000077357882	559002502	/nfs/dbraw/zinc/00/25/02/559002502.db2.gz	ZIPCCNPWFUHYBX-INIZCTEOSA-N	1	3	403.531	0.876	50	0		HCAAHO
CN(C)[C@H]1CC[N@H+](CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)C1	ZINC000077357882	559002500	/nfs/dbraw/zinc/00/25/00/559002500.db2.gz	ZIPCCNPWFUHYBX-INIZCTEOSA-N	1	3	403.531	0.876	50	0		HCAAHO
CCN1CCN(CCCN2CC3(CCN(C(=O)[C@H]4CC[C@@H]([NH3+])C4)CC3)OC2=O)CC1	ZINC000077390901	559003543	/nfs/dbraw/zinc/00/35/43/559003543.db2.gz	UOAMGYMZRVPRAO-RBUKOAKNSA-N	1	3	421.586	0.955	50	0		HCAAHO
COCCN(C)CCN1CC2(CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])CC2)OC1=O	ZINC000077392744	559003481	/nfs/dbraw/zinc/00/34/81/559003481.db2.gz	QFJCGMDXJVOVAL-XDNAFOTISA-N	1	3	408.543	0.751	50	0		HCAAHO
Cc1cc(N2CCC3(CN(CCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)nc(N)n1	ZINC000077406016	559003865	/nfs/dbraw/zinc/00/38/65/559003865.db2.gz	LZMGAJMQKPREJA-INIZCTEOSA-N	1	3	403.531	0.794	50	0		HCAAHO
Cc1cc(N2CCC3(CN(CCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)nc(N)n1	ZINC000077406017	559003850	/nfs/dbraw/zinc/00/38/50/559003850.db2.gz	LZMGAJMQKPREJA-MRXNPFEDSA-N	1	3	403.531	0.794	50	0		HCAAHO
CC(C)N1CCN(CCCN2CC3(CCN(C(=O)[C@@H]4CCC[NH2+]4)CC3)OC2=O)CC1	ZINC000077406134	559003829	/nfs/dbraw/zinc/00/38/29/559003829.db2.gz	MWUKTUQHAPAWIT-IBGZPJMESA-N	1	3	421.586	0.968	50	0		HCAAHO
O=C(NC(CO)CO)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000092028415	559075104	/nfs/dbraw/zinc/07/51/04/559075104.db2.gz	YFBNUMHBZKPSAS-IBGZPJMESA-N	1	3	401.551	0.800	50	0		HCAAHO
O=C(NC(CO)CO)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000092028416	559075081	/nfs/dbraw/zinc/07/50/81/559075081.db2.gz	YFBNUMHBZKPSAS-LJQANCHMSA-N	1	3	401.551	0.800	50	0		HCAAHO