smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC[C@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12	ZINC000005390478	570437179	/nfs/dbraw/zinc/43/71/79/570437179.db2.gz	APONJQVTYXVQAO-YLJYHZDGSA-N	0	3	392.568	5.400	40	5		GKBBHN
COc1cc2c(cc1OC)[C@@H](Cc1c3ccccc3cc3ccccc31)N(C)CC2	ZINC000001617791	212250960	/nfs/dbraw/zinc/25/09/60/212250960.db2.gz	PTMPOMSDCIQQOY-RUZDIDTESA-N	0	3	397.518	5.782	40	5		GKBBHN
CCN(CC)CCNc1cc2ccccc2c2sc3ccccc3c(=O)c12	ZINC000005389831	570437129	/nfs/dbraw/zinc/43/71/29/570437129.db2.gz	UDBKLPOPBUTLGE-UHFFFAOYSA-N	0	3	376.525	5.322	40	5		GKBBHN
O=C(c1ccccc1)C(c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003844553	204019201	/nfs/dbraw/zinc/01/92/01/204019201.db2.gz	BQGRLOVNVQYFMI-LJQANCHMSA-N	0	3	396.786	5.171	40	5		GKBBHN
Cc1ccc(NCCN2CCCCC2)c2c(=O)c3ccc(Cl)cc3sc12	ZINC000004522688	204050667	/nfs/dbraw/zinc/05/06/67/204050667.db2.gz	GKAQBMQWCFOFJF-UHFFFAOYSA-N	0	3	386.948	5.274	40	5		GKBBHN
CCN(CC)CCNc1cc2c(c3c(=O)c4ccccc4sc13)CCCC2	ZINC000004773323	570404696	/nfs/dbraw/zinc/40/46/96/570404696.db2.gz	LXYBVOFUECNXGB-UHFFFAOYSA-N	0	3	380.557	5.047	40	5		GKBBHN
Cc1ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12	ZINC000005390477	570437246	/nfs/dbraw/zinc/43/72/46/570437246.db2.gz	APONJQVTYXVQAO-FXAWDEMLSA-N	0	3	392.568	5.400	40	5		GKBBHN
COc1cc2c(cc1OC)[C@H](Cc1c3ccccc3cc3ccccc31)N(C)CC2	ZINC000005812918	570457884	/nfs/dbraw/zinc/45/78/84/570457884.db2.gz	PTMPOMSDCIQQOY-VWLOTQADSA-N	0	3	397.518	5.782	40	5		GKBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccccc3)cc2)c(Cl)c1	ZINC000016493136	570435439	/nfs/dbraw/zinc/43/54/39/570435439.db2.gz	HDCKGZCLMZPMCQ-UHFFFAOYSA-N	0	3	381.863	5.117	40	5		GKBBHN
Cc1c(Cl)cccc1-c1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)o1	ZINC000007277579	570823325	/nfs/dbraw/zinc/82/33/25/570823325.db2.gz	PVCCBQPZSFLHSE-UHFFFAOYSA-N	0	3	385.851	5.018	40	5		GKBBHN