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+]1c(/C=C/c2ccc(N(C)C)cc2)sc2ccc(C)cc21	ZINC000005128441	181207421	/nfs/dbraw/zinc/20/74/21/181207421.db2.gz	MRGAUFHSXIXOIK-UHFFFAOYSA-N	1	0	323.485	4.754	1	10		DJCFRO
CC[N+](C)(C)c1ccc(/C=C/c2ccc3ccccc3n2)cc1	ZINC000036381184	563455386	/nfs/dbraw/zinc/45/53/86/563455386.db2.gz	RPYJBQFWBWCOBF-UKTHLTGXSA-N	1	0	303.429	4.992	1	10		DJCFRO
CCCC[n+]1ccccc1C=C1Sc2ccccc2N1CC	ZINC000004301872	181094664	/nfs/dbraw/zinc/09/46/64/181094664.db2.gz	RBFSIIZMNMFBME-UHFFFAOYSA-N	1	0	311.474	4.735	1	10		DJCFRO
CCN1C(C)=C(C)S/C1=C\c1ccc2cc(C)ccc2[n+]1C	ZINC000005123922	181206341	/nfs/dbraw/zinc/20/63/41/181206341.db2.gz	RYSFFZHDVWYDQG-UHFFFAOYSA-N	1	0	311.474	4.591	1	10		DJCFRO
Cc1cc(N(C)C)cc(C)c1/C=C/c1cc[n+](C)c2ccccc12	ZINC000072122812	191042373	/nfs/dbraw/zinc/04/23/73/191042373.db2.gz	SLZQQIDCIWDVAP-UHFFFAOYSA-N	1	0	317.456	4.518	1	10		DJCFRO
C[NH+](C)CC/C=C1\c2ccccc2CCc2c(Cl)cccc21	ZINC000005957447	181300585	/nfs/dbraw/zinc/30/05/85/181300585.db2.gz	CMGZPJIHOZMOKL-LICLKQGHSA-N	1	0	311.856	4.822	1	10		DJCFRO
CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C2CC2)cc1	ZINC000073197315	191290945	/nfs/dbraw/zinc/29/09/45/191290945.db2.gz	UQGRJQRMBOWTMS-UHFFFAOYSA-N	1	0	321.469	4.760	1	10		DJCFRO
CC[N+](C)(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000036381183	182820620	/nfs/dbraw/zinc/82/06/20/182820620.db2.gz	NAVZZYNBHAEOCB-FMIVXFBMSA-N	1	0	303.429	4.992	1	10		DJCFRO
Oc1ccc(CCNc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000137869558	196581169	/nfs/dbraw/zinc/58/11/69/196581169.db2.gz	IAPQBQRCZSBBLP-UHFFFAOYSA-N	1	0	314.388	4.748	1	10		DJCFRO
Cc1cc(/C=C2\Sc3ccccc3N2C)[n+](C)c2ccccc12	ZINC000005003581	181189065	/nfs/dbraw/zinc/18/90/65/181189065.db2.gz	RPTMJVXFFUTCFQ-UHFFFAOYSA-N	1	0	319.453	4.513	1	10		DJCFRO
Oc1ccccc1C[NH2+]CCC(c1ccccc1)c1ccccc1	ZINC000040915046	183147982	/nfs/dbraw/zinc/14/79/82/183147982.db2.gz	ZMXFPFXKJCTLTM-UHFFFAOYSA-N	1	0	317.432	4.704	1	10		DJCFRO
c1ccc2c(c1)Oc1ccccc1N2CCCC[NH+]1CCCC1	ZINC000001535470	134445852	/nfs/dbraw/zinc/44/58/52/134445852.db2.gz	PBHLXXNCNOMPMA-UHFFFAOYSA-N	1	0	308.425	4.806	1	10		DJCFRO