smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1c(F)ccc(C)c1F)C2	ZINC000091998191	519286370	/nfs/dbraw/zinc/28/63/70/519286370.db2.gz	VYPKYENYPYMXER-QGZVFWFLSA-N	0	1	443.542	2.690	10	30		IFEEMN
CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CCN(C(=O)c3cnc[nH]3)CC2)C1=O	ZINC000012241915	519339931	/nfs/dbraw/zinc/33/99/31/519339931.db2.gz	AKPZZIWRQGBDHU-RUZDIDTESA-N	0	1	447.539	2.599	10	30		IFEEMN
CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCN(C(=O)c3cnc[nH]3)CC2)C1=O	ZINC000012241913	519338677	/nfs/dbraw/zinc/33/86/77/519338677.db2.gz	AKPZZIWRQGBDHU-VWLOTQADSA-N	0	1	447.539	2.599	10	30		IFEEMN
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1c(F)ccc(C)c1F)C2	ZINC000091998192	519289413	/nfs/dbraw/zinc/28/94/13/519289413.db2.gz	VYPKYENYPYMXER-KRWDZBQOSA-N	0	1	443.542	2.690	10	30		IFEEMN
Cc1cc([N+](=O)[O-])nn1CC(=O)ONC(=N)c1ccc(OCc2ccccc2F)cc1	ZINC000020353698	525578233	/nfs/dbraw/zinc/57/82/33/525578233.db2.gz	AXKNBFUDOIGMGN-UHFFFAOYSA-N	0	1	427.392	2.682	10	30		IFEEMN
COc1cccc(S(=O)(=O)N2CC[C@]3(C2)Nc2cccnc2N=C3NC(C)(C)C)c1	ZINC000096310095	526244122	/nfs/dbraw/zinc/24/41/22/526244122.db2.gz	UMXCYZNDKFJPAM-OAQYLSRUSA-N	0	1	429.546	2.958	10	30		IFEEMN
S=C(NCCc1ccccc1)N/N=C1\C2CN3CC1(Cc1ccccc1)C[N@@H+](C2)CC3	ZINC000020522224	526383498	/nfs/dbraw/zinc/38/34/98/526383498.db2.gz	XXIWXQDVCLYAQC-SLEBQGDGSA-N	0	1	433.625	2.539	10	30		IFEEMN