smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(C)c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000026577237	202145332	/nfs/dbraw/zinc/14/53/32/202145332.db2.gz	KYSDIJGKWAITKX-UHFFFAOYSA-N	1	0	327.431	5.588	1	10		EKCFRO
CC(=O)N(C)c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000026841799	202148818	/nfs/dbraw/zinc/14/88/18/202148818.db2.gz	VDTFLYLRSNPLFG-UHFFFAOYSA-N	1	0	341.414	5.114	1	10		EKCFRO
COc1cc(N)ccc1Nc1c2ccccc2[nH+]c2c(C)cccc12	ZINC000026939905	202150447	/nfs/dbraw/zinc/15/04/47/202150447.db2.gz	OVIABDZPGHSRTO-UHFFFAOYSA-N	1	0	329.403	5.031	1	10		EKCFRO
Cc1c(C[NH+]2CCSCC2)cc(-c2ccccc2)n1-c1ccccc1	ZINC000033494522	202263228	/nfs/dbraw/zinc/26/32/28/202263228.db2.gz	CPCSLELLXSVSMK-UHFFFAOYSA-N	1	0	348.515	5.002	1	10		EKCFRO
CCCCCC=CCC=CCC=CCC=CCCCC(=O)C[N+]#N	ZINC000038141009	213202782	/nfs/dbraw/zinc/20/27/82/213202782.db2.gz	ZVZBWWAGIFGRBU-MLFLMRJSSA-N	1	0	328.500	6.002	1	10		EKCFRO
C(=C1c2ccccc2CCc2ccccc21)[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000071294681	203091042	/nfs/dbraw/zinc/09/10/42/203091042.db2.gz	XXJSMJREPJTXFU-SQJMNOBHSA-N	1	0	343.514	5.481	1	10		EKCFRO
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(C)cc3)c2c1	ZINC000072107678	216009616	/nfs/dbraw/zinc/00/96/16/216009616.db2.gz	HICBWDGPPUVAGQ-UHFFFAOYSA-N	1	0	348.833	6.102	1	10		EKCFRO
COc1ccc(NN=C2C=C(C)C(=O)C(C[NH+]3CCCCC3)=C2)cc1	ZINC000102595099	219213370	/nfs/dbraw/zinc/21/33/70/219213370.db2.gz	ZKVYNTLHODDHIF-DQRAZIAOSA-N	1	0	339.439	5.111	1	10		EKCFRO
CC1=CC(=NNc2ccc(Cl)cc2)C=C(C[NH+]2CCCC2)C1=O	ZINC000102675419	219221444	/nfs/dbraw/zinc/22/14/44/219221444.db2.gz	JFQASHVZFSYYCB-MRCUWXFGSA-N	1	0	329.831	5.365	1	10		EKCFRO
CC1(C)CC(Nc2c3ccccc3[nH+]c3ccccc32)CC(C)(C)N1O	ZINC000104954419	219439309	/nfs/dbraw/zinc/43/93/09/219439309.db2.gz	KPPDDYNFTOVPSI-UHFFFAOYSA-N	1	0	348.470	5.167	1	10		EKCFRO
CC1(C)C[C@H](CNc2c3ccccc3[nH+]c3ccccc32)C(C)(C)N1O	ZINC000104955559	204127646	/nfs/dbraw/zinc/12/76/46/204127646.db2.gz	JBGLFPGKJMQLTR-OAHLLOKOSA-N	1	0	348.470	5.025	1	10		EKCFRO
COc1ccc(CNc2c3ccccc3[nH+]c3ccccc32)cc1OC	ZINC000169304534	533706049	/nfs/dbraw/zinc/70/60/49/533706049.db2.gz	IAFBUXPIYGOMLA-UHFFFAOYSA-N	1	0	344.414	5.017	1	10		EKCFRO
COc1cccc(CCNc2c3ccccc3[nH+]c3ccccc32)c1	ZINC000169305223	533466685	/nfs/dbraw/zinc/46/66/85/533466685.db2.gz	GLUBQAQYEQCHSQ-UHFFFAOYSA-N	1	0	328.415	5.051	1	10		EKCFRO