smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1COc1ccc[nH+]c1N	ZINC000020483741	179286826	/nfs/dbraw/zinc/28/68/26/179286826.db2.gz	NVKFEARVHLZPMT-UHFFFAOYSA-N	1	2	214.268	2.551	50	10		BFCALO
Nc1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1	ZINC000000215272	342680432	/nfs/dbraw/zinc/68/04/32/342680432.db2.gz	PNSYWRFRQUUYMG-UHFFFAOYSA-N	1	2	223.279	2.736	50	10		BFCALO
CN(C)N=Nc1ccc(-c2c[nH]c[nH+]2)cc1	ZINC000005817831	172353013	/nfs/dbraw/zinc/35/30/13/172353013.db2.gz	RSVRDBTVANQZQF-CCEZHUSRSA-N	1	2	215.260	2.637	50	10		BFCALO
Cc1cccc(COc2ccc[nH+]c2N)c1	ZINC000000131813	342676430	/nfs/dbraw/zinc/67/64/30/342676430.db2.gz	FCPZUKLALUTIIT-UHFFFAOYSA-N	1	2	214.268	2.551	50	10		BFCALO
CC(=O)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000020268105	342979708	/nfs/dbraw/zinc/97/97/08/342979708.db2.gz	GHFAMDMJBIXKPC-UHFFFAOYSA-N	1	2	233.311	2.581	50	10		BFCALO
CN(C)N=Nc1ccc(-c2c[nH]c[nH+]2)cc1	ZINC000252627372	364351560	/nfs/dbraw/zinc/35/15/60/364351560.db2.gz	RSVRDBTVANQZQF-UHFFFAOYSA-N	1	2	215.260	2.637	50	10		BFCALO
Cc1ccc(C)n1-c1ccc([NH3+])cc1C	ZINC000000856715	187244765	/nfs/dbraw/zinc/24/47/65/187244765.db2.gz	LAXJDTOMMNRYAE-UHFFFAOYSA-N	1	2	200.285	2.985	50	10		BFCALO
Cc1cc(C=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000000308839	342682892	/nfs/dbraw/zinc/68/28/92/342682892.db2.gz	XBBUEQVVPOQCIN-UHFFFAOYSA-N	1	2	242.322	2.973	50	10		BFCALO
Cc1ccc(O)c(CNc2cccc[nH+]2)c1	ZINC000019094012	342941634	/nfs/dbraw/zinc/94/16/34/342941634.db2.gz	XXXXITSFOHPNRC-UHFFFAOYSA-N	1	2	214.268	2.708	50	10		BFCALO
C[NH+](C)Cc1cc(Cl)cc(Cl)c1O	ZINC000031614398	343221594	/nfs/dbraw/zinc/22/15/94/343221594.db2.gz	MHXBUQBHTYREBE-UHFFFAOYSA-N	1	2	220.099	2.761	50	10		BFCALO
[NH3+]c1ccc(N2CCc3sccc3C2)cc1	ZINC000022143114	132332403	/nfs/dbraw/zinc/33/24/03/132332403.db2.gz	ZRAXQPNEXXVMQA-UHFFFAOYSA-N	1	2	230.336	2.893	50	10		BFCALO
Cc1cc(Oc2ccc(N)cc2)cc[nH+]1	ZINC000011919446	178214089	/nfs/dbraw/zinc/21/40/89/178214089.db2.gz	FUTUMJDCMILZFM-UHFFFAOYSA-N	1	2	200.241	2.765	50	10		BFCALO
Cc1[nH+]c2ccccc2n1-c1ccc(N)cc1	ZINC000012357657	180101694	/nfs/dbraw/zinc/10/16/94/180101694.db2.gz	GVHJIUBZPSYZPV-UHFFFAOYSA-N	1	2	223.279	2.916	50	10		BFCALO
[NH3+]c1ccc(N2CCc3ccccc3C2)cc1	ZINC000009237955	132319512	/nfs/dbraw/zinc/31/95/12/132319512.db2.gz	JRZKTIUJSLMEHA-UHFFFAOYSA-N	1	2	224.307	2.832	50	10		BFCALO
[NH3+]c1ccc(N2Cc3ccccc3C2)cc1	ZINC000000303094	342682849	/nfs/dbraw/zinc/68/28/49/342682849.db2.gz	YVUKIEXSNWTCRL-UHFFFAOYSA-N	1	2	210.280	2.789	50	10		BFCALO
Nc1ccc([NH2+]CCc2ccccc2)cc1	ZINC000003885333	342738975	/nfs/dbraw/zinc/73/89/75/342738975.db2.gz	YQDUTMLEOLCPDP-UHFFFAOYSA-N	1	2	212.296	2.923	50	10		BFCALO
Cc1cc(-c2ccnc3c2ccn3C)c[nH+]c1N	ZINC000072168726	384198293	/nfs/dbraw/zinc/19/82/93/384198293.db2.gz	SKEWRYGRJPRPNE-UHFFFAOYSA-N	1	2	238.294	2.526	50	10		BFCALO
CN(C)c1ccc(CNc2cccc[nH+]2)cc1	ZINC000000617335	342690955	/nfs/dbraw/zinc/69/09/55/342690955.db2.gz	WXQWZSULCDJOPQ-UHFFFAOYSA-N	1	2	227.311	2.760	50	10		BFCALO
Nc1[nH+]cccc1OCc1cccc(Cl)c1	ZINC000020483725	384619404	/nfs/dbraw/zinc/61/94/04/384619404.db2.gz	FHXFIGNXAAISEC-UHFFFAOYSA-N	1	2	234.686	2.896	50	10		BFCALO
Cc1ccc2[nH+]c(-c3ccc(O)c(O)c3)cn2c1	ZINC000000069987	188098575	/nfs/dbraw/zinc/09/85/75/188098575.db2.gz	BHRXRNFQFJCZDC-UHFFFAOYSA-N	1	2	240.262	2.721	50	10		BFCALO
CCNc1cc(C)[nH+]c(Nc2ccc(N)cc2)n1	ZINC000206580257	170171929	/nfs/dbraw/zinc/17/19/29/170171929.db2.gz	MEMYSJAMLSAIFE-UHFFFAOYSA-N	1	2	243.314	2.543	50	10		BFCALO
CC(=O)c1ccc(O)c(C[NH+]2CCCCCC2)c1	ZINC000020284675	342980678	/nfs/dbraw/zinc/98/06/78/342980678.db2.gz	FKIXZQZCCCURAH-UHFFFAOYSA-N	1	2	247.338	2.971	50	10		BFCALO
CCOc1ccc([N@H+](C)CCCCCO)cc1	ZINC000096417907	388818404	/nfs/dbraw/zinc/81/84/04/388818404.db2.gz	NDNIHKFTANYIML-UHFFFAOYSA-N	1	2	237.343	2.684	50	10		BFCALO
CCOc1ccc([N@@H+](C)CCCCCO)cc1	ZINC000096417907	388818409	/nfs/dbraw/zinc/81/84/09/388818409.db2.gz	NDNIHKFTANYIML-UHFFFAOYSA-N	1	2	237.343	2.684	50	10		BFCALO
CN(C)c1ccc(/C=C/C2=[NH+]CCS2)cc1	ZINC000003070020	384203508	/nfs/dbraw/zinc/20/35/08/384203508.db2.gz	MWLWCKRPYDEXMN-VMPITWQZSA-N	1	2	232.352	2.911	50	10		BFCALO
CN(Cc1ccccc1)c1ccc([NH3+])cc1	ZINC000019392177	384520095	/nfs/dbraw/zinc/52/00/95/384520095.db2.gz	IHDXFVHLQONBFX-UHFFFAOYSA-N	1	2	212.296	2.905	50	10		BFCALO
CC(C)c1[nH+]ccn1-c1ccc(N)cc1	ZINC000004632185	342749734	/nfs/dbraw/zinc/74/97/34/342749734.db2.gz	PRRNTJFNAAFXNY-UHFFFAOYSA-N	1	2	201.273	2.578	50	10		BFCALO
C[NH+](C)Cc1c(O)cc(Cl)cc1Cl	ZINC000526056057	259366522	/nfs/dbraw/zinc/36/65/22/259366522.db2.gz	KONYLKHUWFWGPO-UHFFFAOYSA-N	1	2	220.099	2.761	50	10		BFCALO
Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1	ZINC000000241733	342681178	/nfs/dbraw/zinc/68/11/78/342681178.db2.gz	WRQCBLDRUKMAOQ-UHFFFAOYSA-N	1	2	237.306	2.930	50	10		BFCALO