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](CCN)[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000841053098	1132323894	/nfs/dbraw/zinc/32/38/94/1132323894.db2.gz	ZJERGEASAGVIJA-AWEZNQCLSA-N	1	3	278.399	3.820	20	5		CHBDHO
N[C@H]1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1	ZINC001204878161	1133495055	/nfs/dbraw/zinc/49/50/55/1133495055.db2.gz	ZHSCIESTKGCUTA-KRWDZBQOSA-N	1	3	290.410	3.916	20	5		CHBDHO
N[C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1	ZINC001204878161	1133495057	/nfs/dbraw/zinc/49/50/57/1133495057.db2.gz	ZHSCIESTKGCUTA-KRWDZBQOSA-N	1	3	290.410	3.916	20	5		CHBDHO
C[C@@H]1C[C@H]([NH3+])CN1Cc1c2ccccc2cc2ccccc21	ZINC001237203978	1131070397	/nfs/dbraw/zinc/07/03/97/1131070397.db2.gz	OWFDOYUTVSZRLV-PBHICJAKSA-N	1	3	290.410	3.915	20	5		CHBDHO
C[C@H](CCN)[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000841053099	1132324655	/nfs/dbraw/zinc/32/46/55/1132324655.db2.gz	ZJERGEASAGVIJA-CQSZACIVSA-N	1	3	278.399	3.820	20	5		CHBDHO
[NH3+]C[C@H]1CCCN1Cc1c2ccccc2cc2ccccc21	ZINC001236247704	1130904274	/nfs/dbraw/zinc/90/42/74/1130904274.db2.gz	XEVRJOUZPPGXAT-QGZVFWFLSA-N	1	3	290.410	3.916	20	5		CHBDHO
CN(Cc1c2ccccc2cc2ccccc21)CC1C[NH2+]C1	ZINC001235963984	1130819897	/nfs/dbraw/zinc/81/98/97/1130819897.db2.gz	XSERRJMIUIDZMK-UHFFFAOYSA-N	1	3	290.410	3.644	20	5		CHBDHO
C[N@@H+](Cc1c2ccccc2cc2ccccc21)CC1CNC1	ZINC001235963984	1130819904	/nfs/dbraw/zinc/81/99/04/1130819904.db2.gz	XSERRJMIUIDZMK-UHFFFAOYSA-N	1	3	290.410	3.644	20	5		CHBDHO
C[N@H+](Cc1c2ccccc2cc2ccccc21)CC1CNC1	ZINC001235963984	1130819909	/nfs/dbraw/zinc/81/99/09/1130819909.db2.gz	XSERRJMIUIDZMK-UHFFFAOYSA-N	1	3	290.410	3.644	20	5		CHBDHO
c1ccc2c(c1)cc1ccccc1c2C[NH2+]C1CCNCC1	ZINC000841026870	1132322058	/nfs/dbraw/zinc/32/20/58/1132322058.db2.gz	UEDZCDPRJSOEBH-UHFFFAOYSA-N	1	3	290.410	3.835	20	5		CHBDHO
c1ccc2c(c1)cc1ccccc1c2CNC1CC[NH2+]CC1	ZINC000841026870	1132322064	/nfs/dbraw/zinc/32/20/64/1132322064.db2.gz	UEDZCDPRJSOEBH-UHFFFAOYSA-N	1	3	290.410	3.835	20	5		CHBDHO
C[C@@H]1CN(Cc2c3ccccc3cc3ccccc32)C[C@H]1[NH3+]	ZINC001206065263	1133652344	/nfs/dbraw/zinc/65/23/44/1133652344.db2.gz	RNGKSBPXCWTTST-JLTOFOAXSA-N	1	3	290.410	3.772	20	5		CHBDHO
C[NH2+]CCCNCc1c2ccccc2cc2ccccc21	ZINC000841043359	1132324879	/nfs/dbraw/zinc/32/48/79/1132324879.db2.gz	VEOMVJPNNLICNJ-UHFFFAOYSA-N	1	3	278.399	3.692	20	5		CHBDHO
C[C@@H]1CN(Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+]	ZINC001236094177	1130857715	/nfs/dbraw/zinc/85/77/15/1130857715.db2.gz	RNGKSBPXCWTTST-VLIAUNLRSA-N	1	3	290.410	3.772	20	5		CHBDHO
[NH3+]C[C@@H]1CCCN1Cc1c2ccccc2cc2ccccc21	ZINC001235726346	1130772686	/nfs/dbraw/zinc/77/26/86/1130772686.db2.gz	XEVRJOUZPPGXAT-KRWDZBQOSA-N	1	3	290.410	3.916	20	5		CHBDHO