smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1Br	ZINC000036945615	213127002	/nfs/dbraw/zinc/12/70/02/213127002.db2.gz	LFPIYJSIMDDRGD-SNVBAGLBSA-N	1	0	340.648	4.659	10	10		EJCERO
CCCCN(CC)c1ccc([C@H](C)[NH2+]CC)cc1Br	ZINC000104181811	219355618	/nfs/dbraw/zinc/35/56/18/219355618.db2.gz	TYNORDIEGZMNLM-ZDUSSCGKSA-N	1	0	327.310	4.746	10	10		EJCERO
CCN(CC)c1ccc(/C=C/c2cc(C)c3ccccc3[n+]2C)cc1	ZINC000020608649	212153820	/nfs/dbraw/zinc/15/38/20/212153820.db2.gz	FWPJMXOQMIIGJC-UHFFFAOYSA-N	1	0	331.483	4.989	10	10		EJCERO
Oc1ccc2ccccc2c1C[NH2+]Cc1ccc(Br)s1	ZINC000038018499	213190101	/nfs/dbraw/zinc/19/01/01/213190101.db2.gz	NARQBDMJOZNLAO-UHFFFAOYSA-N	1	0	348.265	4.659	10	10		EJCERO
Oc1ccc(-c2cccnc2)cc1C[NH+]1CCC(c2ccccc2)CC1	ZINC000014986668	564050920	/nfs/dbraw/zinc/05/09/20/564050920.db2.gz	KZAGNJXAOVTFSV-UHFFFAOYSA-N	1	0	344.458	4.834	10	10		EJCERO
CC(C)CN(CC(C)C)c1ccc([C@@H](C)[NH3+])cc1Br	ZINC000104168469	219354440	/nfs/dbraw/zinc/35/44/40/219354440.db2.gz	FEHOLECUTKQQRB-CYBMUJFWSA-N	1	0	327.310	4.587	10	10		EJCERO
CCN(CC)c1ccc(C(N2CCCCC2)[NH+]2CCCCC2)cc1	ZINC000196328630	535684019	/nfs/dbraw/zinc/68/40/19/535684019.db2.gz	DYHFTTFUUSTKOE-UHFFFAOYSA-N	1	0	329.532	4.503	10	10		EJCERO
C[C@H]([NH3+])c1ccc(N(C)C2CCCCCC2)c(Br)c1	ZINC000104168459	219354717	/nfs/dbraw/zinc/35/47/17/219354717.db2.gz	ZQVQWPMHESCTEA-LBPRGKRZSA-N	1	0	325.294	4.628	10	10		EJCERO
CCN(c1ccc([C@H](C)[NH3+])cc1Br)C1CCCCC1	ZINC000104181814	219355892	/nfs/dbraw/zinc/35/58/92/219355892.db2.gz	PUQZIJAOYPMXBX-LBPRGKRZSA-N	1	0	325.294	4.628	10	10		EJCERO
CCCCN(CC)c1ccc([C@@H](C)[NH2+]CC)cc1Br	ZINC000104181809	219355700	/nfs/dbraw/zinc/35/57/00/219355700.db2.gz	TYNORDIEGZMNLM-CYBMUJFWSA-N	1	0	327.310	4.746	10	10		EJCERO
CCCCCN(c1ccc([C@@H](C)[NH3+])cc1Br)C(C)C	ZINC000104173650	219355391	/nfs/dbraw/zinc/35/53/91/219355391.db2.gz	XLHGHQQICGEDCA-CYBMUJFWSA-N	1	0	327.310	4.874	10	10		EJCERO
CCN1C=CC=C/C1=C\c1c2ccccc2c2ccc(C)cc2[n+]1C	ZINC000020070252	212099720	/nfs/dbraw/zinc/09/97/20/212099720.db2.gz	PDIJVHUBSQJTIY-UHFFFAOYSA-N	1	0	327.451	4.872	10	10		EJCERO
Cc1ccc2ccc([C@H](c3ccccc3)[NH+]3CCCCC3)c(O)c2n1	ZINC000045944480	213767477	/nfs/dbraw/zinc/76/74/77/213767477.db2.gz	BNGJGXURLWKFSA-NRFANRHFSA-N	1	0	332.447	4.824	10	10		EJCERO
CCCC[N@H+](Cc1ccccc1)Cc1cc(-c2cnccn2)ccc1O	ZINC000012053718	564026309	/nfs/dbraw/zinc/02/63/09/564026309.db2.gz	CRFNGJHDWWSIHM-UHFFFAOYSA-N	1	0	347.462	4.652	10	10		EJCERO
CC[NH2+][C@@H](C)c1ccc(Sc2nccs2)c(Br)c1	ZINC000061700305	214673200	/nfs/dbraw/zinc/67/32/00/214673200.db2.gz	MYNUVTHDIBOTLQ-VIFPVBQESA-N	1	0	343.315	4.727	10	10		EJCERO
C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1Br	ZINC000036945614	213127867	/nfs/dbraw/zinc/12/78/67/213127867.db2.gz	LFPIYJSIMDDRGD-JTQLQIEISA-N	1	0	340.648	4.659	10	10		EJCERO