smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](Cc4ccccc4O)C3)C2)cc1	ZINC000604381773	568489301	/nfs/dbraw/zinc/48/93/01/568489301.db2.gz	NVBYYWBHJNQILA-HXUWFJFHSA-N	1	1	423.513	1.812	40	10	biogenic,in-vitro	HDCBMO
C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(N(C)CCO)cc2)C3)C1	ZINC000012117817	132354343	/nfs/dbraw/zinc/35/43/43/132354343.db2.gz	VYNMRTLPRJZESW-KRWDZBQOSA-N	1	1	411.550	1.993	40	10		HDCBMO
C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(N(C)CCO)cc2)C3)C1	ZINC000012117817	132354345	/nfs/dbraw/zinc/35/43/45/132354345.db2.gz	VYNMRTLPRJZESW-KRWDZBQOSA-N	1	1	411.550	1.993	40	10		HDCBMO
COc1ccc(N2CCC[N@@H+](CC3CCN(C(=O)c4nonc4N)CC3)CC2)cc1	ZINC000072338558	558938243	/nfs/dbraw/zinc/93/82/43/558938243.db2.gz	WMUSXSOCNQGEEV-UHFFFAOYSA-N	1	1	414.510	1.725	40	10		HDCBMO
COc1ccc(N2CCN(C(=O)C[NH+]3CCC(Oc4cnccn4)CC3)CC2)cc1	ZINC000019658139	558950264	/nfs/dbraw/zinc/95/02/64/558950264.db2.gz	FZPJAJUXDJVYKY-UHFFFAOYSA-N	1	1	411.506	1.677	40	10		HDCBMO
COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CC[NH+](C)CC3)C2=O)c(OC)c1	ZINC000054361055	569072323	/nfs/dbraw/zinc/07/23/23/569072323.db2.gz	USJJDBAYYYRWLC-YBEGLDIGSA-N	1	1	421.544	1.679	40	10		HDCBMO
COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)N3CC[NH+](C)CC3)C2=O)cc1	ZINC000054361040	569072349	/nfs/dbraw/zinc/07/23/49/569072349.db2.gz	ALJVJNKDDJOREH-PTNGSMBKSA-N	1	1	419.528	1.448	40	10		HDCBMO
C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(N(C)CCO)cc2)C3)C1	ZINC000012117816	132354393	/nfs/dbraw/zinc/35/43/93/132354393.db2.gz	VYNMRTLPRJZESW-QGZVFWFLSA-N	1	1	411.550	1.993	40	10		HDCBMO
C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(N(C)CCO)cc2)C3)C1	ZINC000012117816	132354394	/nfs/dbraw/zinc/35/43/94/132354394.db2.gz	VYNMRTLPRJZESW-QGZVFWFLSA-N	1	1	411.550	1.993	40	10		HDCBMO
O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3O)C2)C1	ZINC000514288844	560033821	/nfs/dbraw/zinc/03/38/21/560033821.db2.gz	FYMMGWQVXHTDAV-LEWJYISDSA-N	1	1	407.514	1.467	40	10	biogenic,in-vitro	HDCBMO
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCC[NH+]1CCOCC1	ZINC000020226852	568595195	/nfs/dbraw/zinc/59/51/95/568595195.db2.gz	UZPQORUPHKQMER-SDNWHVSQSA-N	1	1	411.574	1.788	40	10		HDCBMO
COc1ccc(C=C2SC(=S)N(CC(=O)NCCc3cnc[nH]3)C2=O)cc1	ZINC000033539744	559208717	/nfs/dbraw/zinc/20/87/17/559208717.db2.gz	JMFRHDBKCZNRGO-OVCLIPMQSA-N	1	1	402.501	1.978	40	10		HDCBMO
O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccccc3O)C2)C1	ZINC000604381205	568489176	/nfs/dbraw/zinc/48/91/76/568489176.db2.gz	FQVUTGKROKKWKJ-GOSISDBHSA-N	1	1	411.477	1.943	40	10	biogenic,in-vitro	HDCBMO
COc1ccc(N2CCC[N@@H+](CC3CCN(C(=O)Cn4cnnn4)CC3)CC2)cc1	ZINC000012143948	558335656	/nfs/dbraw/zinc/33/56/56/558335656.db2.gz	ISSBBVJIHDRIQX-UHFFFAOYSA-N	1	1	413.526	1.133	40	10		HDCBMO
C[NH+]1CCN(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)CC1	ZINC000005376023	557649082	/nfs/dbraw/zinc/64/90/82/557649082.db2.gz	KHZWIQOGPJOIEC-NTCAYCPXSA-N	1	1	408.524	1.696	40	10		HDCBMO
COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](Cc4ccccc4O)C3)C2)c1	ZINC000604382207	568489435	/nfs/dbraw/zinc/48/94/35/568489435.db2.gz	KTQDYPZAAXIHIP-HXUWFJFHSA-N	1	1	423.513	1.812	40	10	biogenic,in-vitro	HDCBMO
COc1ccc(N2CCN(C(=O)C[NH+]3CCC(O)(c4nccn4C)CC3)CC2)cc1	ZINC000012114528	132354167	/nfs/dbraw/zinc/35/41/67/132354167.db2.gz	OKIKUXHSZIQQKY-UHFFFAOYSA-N	1	1	413.522	1.061	40	10		HDCBMO
O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3O)C2)C1	ZINC000514288847	560033765	/nfs/dbraw/zinc/03/37/65/560033765.db2.gz	FYMMGWQVXHTDAV-NHCUHLMSSA-N	1	1	407.514	1.467	40	10	biogenic,in-vitro	HDCBMO