smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+]1CCN2c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1	ZINC000016972903	553585781	/nfs/dbraw/zinc/58/57/81/553585781.db2.gz	XJQLIDITBVTWNG-KRWDZBQOSA-N	1	1	509.523	-0.548	50	10		KBCAMO
CN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@H+](C)CCN32)C(=O)N(C)C1=O	ZINC000057099755	554352239	/nfs/dbraw/zinc/35/22/39/554352239.db2.gz	AATRJIPQIXTYAV-SFHVURJKSA-N	1	1	508.535	-0.166	50	10		KBCAMO
COc1c(O)c(CN2CC[NH+](CCOc3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079193247	553668643	/nfs/dbraw/zinc/66/86/43/553668643.db2.gz	GPPNFRHQOAAGBZ-AFOYLGMVSA-N	1	1	546.573	-0.004	50	10	biogenic	KBCAMO
COc1c(O)c(CN2CC[NH+](CCOc3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170621986	571562856	/nfs/dbraw/zinc/56/28/56/571562856.db2.gz	GPPNFRHQOAAGBZ-PEIMUEQGSA-N	1	1	546.573	-0.004	50	10		KBCAMO
COc1c(O)c(CN2CC[NH+](CCOc3ccccc3)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170621988	571562806	/nfs/dbraw/zinc/56/28/06/571562806.db2.gz	GPPNFRHQOAAGBZ-GBTWPGOASA-N	1	1	546.573	-0.004	50	10		KBCAMO
COc1c(O)c(CN2CC[NH+](CCOc3ccccc3)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000170621989	1066210978	/nfs/dbraw/zinc/21/09/78/1066210978.db2.gz	GPPNFRHQOAAGBZ-URKLEXGHSA-N	1	1	546.573	-0.004	50	10		KBCAMO
CC1(C)OCC([N+](=O)[O-])([N+](=O)[N-]c2nonc2-c2no[n+]([O-])c2-c2nonc2N[N+](=O)C2([N+](=O)[O-])COC(C)(C)OC2)CO1	ZINC000225434563	571801911	/nfs/dbraw/zinc/80/19/11/571801911.db2.gz	LOCJPLMUAFZUCS-UHFFFAOYSA-N	1	1	630.444	-0.109	50	10		KBCAMO
CC1(C)OCC([N+](=O)[O-])([N+](=O)[N-]c2nonc2-c2c(-c3nonc3N[N+](=O)C3([N+](=O)[O-])COC(C)(C)OC3)no[n+]2[O-])CO1	ZINC000225434563	571801908	/nfs/dbraw/zinc/80/19/08/571801908.db2.gz	LOCJPLMUAFZUCS-UHFFFAOYSA-N	1	1	630.444	-0.109	50	10		KBCAMO
CN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2C[N@H+](C)CCN32)C(=O)N(C)C1=O	ZINC000245324816	572230885	/nfs/dbraw/zinc/23/08/85/572230885.db2.gz	AATRJIPQIXTYAV-GOSISDBHSA-N	1	1	508.535	-0.166	50	10		KBCAMO