smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](CSC)[NH2+]CC[NH+](C)C	217330374	573286146	/nfs/dbraw/zinc/28/61/46/573286146.db2.gz	HGAMYKRTTPGKMZ-SECBINFHSA-N	2	2	190.356	1.279	10	70		ADIELP
CC[C@@H](CSC)[NH2+]CC[NH+](C)C	217330372	573286294	/nfs/dbraw/zinc/28/62/94/573286294.db2.gz	HGAMYKRTTPGKMZ-VIFPVBQESA-N	2	2	190.356	1.279	10	70		ADIELP
CC[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCC[C@@H]1C	161006565	573635021	/nfs/dbraw/zinc/63/50/21/573635021.db2.gz	SHASUESZAKSUPK-GARJFASQSA-N	2	2	182.311	1.469	10	70		ADIELP
CC[C@H]1C[NH2+]C[C@H]1[N@H+]1CCC[C@@H]1C	161006565	573635024	/nfs/dbraw/zinc/63/50/24/573635024.db2.gz	SHASUESZAKSUPK-GARJFASQSA-N	2	2	182.311	1.469	10	70		ADIELP
CCC[C@@H](C[NH2+]CC)[NH+](C)C	216743092	572002125	/nfs/dbraw/zinc/00/21/25/572002125.db2.gz	ZAXFWFONYCTSLL-VIFPVBQESA-N	2	2	158.289	1.326	10	70		ADIELP
CC[C@H](C)C[N@H+](C)[C@H]1C[NH2+]C[C@@H]1CC	160976176	572591513	/nfs/dbraw/zinc/59/15/13/572591513.db2.gz	CPYCOPLLFOVUGQ-SRVKXCTJSA-N	2	2	198.354	1.962	10	70		ADIELP
CC[C@H](C)C[N@@H+](C)[C@H]1C[NH2+]C[C@@H]1CC	160976176	572591521	/nfs/dbraw/zinc/59/15/21/572591521.db2.gz	CPYCOPLLFOVUGQ-SRVKXCTJSA-N	2	2	198.354	1.962	10	70		ADIELP
CC[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCC[C@@H]1CC	161006834	573634069	/nfs/dbraw/zinc/63/40/69/573634069.db2.gz	YAUFVKSBXBEFDC-SDDRHHMPSA-N	2	2	196.338	1.859	10	70		ADIELP
CC[C@H]1C[NH2+]C[C@H]1[N@H+]1CCC[C@@H]1CC	161006834	573634072	/nfs/dbraw/zinc/63/40/72/573634072.db2.gz	YAUFVKSBXBEFDC-SDDRHHMPSA-N	2	2	196.338	1.859	10	70		ADIELP
CC[C@H]1C[NH2+]C[C@@H]1[N@@H+]1CCC[C@@H]1C	161006312	573635839	/nfs/dbraw/zinc/63/58/39/573635839.db2.gz	SHASUESZAKSUPK-DCAQKATOSA-N	2	2	182.311	1.469	10	70		ADIELP
CC[C@H]1C[NH2+]C[C@@H]1[N@H+]1CCC[C@@H]1C	161006312	573635844	/nfs/dbraw/zinc/63/58/44/573635844.db2.gz	SHASUESZAKSUPK-DCAQKATOSA-N	2	2	182.311	1.469	10	70		ADIELP
FCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1	218201913	583491738	/nfs/dbraw/zinc/49/17/38/583491738.db2.gz	RVOBEIVNRDZDQL-UHFFFAOYSA-N	2	2	197.257	1.559	10	70		ADIELP
COc1ccc[nH+]c1NCC[C@H](C)[NH3+]	160281113	344161576	/nfs/dbraw/zinc/16/15/76/344161576.db2.gz	GBAMKQIDCQYLSQ-QMMMGPOBSA-N	2	2	195.266	1.239	10	70		ADIELP
COc1ccc[nH+]c1NCC[C@@H](C)[NH3+]	160281260	344161671	/nfs/dbraw/zinc/16/16/71/344161671.db2.gz	GBAMKQIDCQYLSQ-MRVPVSSYSA-N	2	2	195.266	1.239	10	70		ADIELP
COc1ccc[nH+]c1NC[C@@H](C)C[NH3+]	160373584	344163706	/nfs/dbraw/zinc/16/37/06/344163706.db2.gz	RVBRYGPAWZFQBL-QMMMGPOBSA-N	2	2	195.266	1.097	10	70		ADIELP
COc1ccc[nH+]c1N[C@@H](C)CC[NH3+]	160379464	344163908	/nfs/dbraw/zinc/16/39/08/344163908.db2.gz	NJSLJEYIHZUVLW-QMMMGPOBSA-N	2	2	195.266	1.239	10	70		ADIELP
COc1ccc[nH+]c1N[C@H](C)CC[NH3+]	160379561	344163965	/nfs/dbraw/zinc/16/39/65/344163965.db2.gz	NJSLJEYIHZUVLW-MRVPVSSYSA-N	2	2	195.266	1.239	10	70		ADIELP
COc1ccc[nH+]c1NC[C@H](C)C[NH3+]	160373727	344164109	/nfs/dbraw/zinc/16/41/09/344164109.db2.gz	RVBRYGPAWZFQBL-MRVPVSSYSA-N	2	2	195.266	1.097	10	70		ADIELP