smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H](C)C[N@H+](C)CC[NH3+]	160766642	538048973	/nfs/dbraw/zinc/04/89/73/538048973.db2.gz	KMDURFMQPSCJOK-MRVPVSSYSA-N	2	1	160.261	0.159	10	70		ACIEMP
COC[C@H](C)C[N@@H+](C)CC[NH3+]	160766642	538048978	/nfs/dbraw/zinc/04/89/78/538048978.db2.gz	KMDURFMQPSCJOK-MRVPVSSYSA-N	2	1	160.261	0.159	10	70		ACIEMP
COC[C@@H](C)C[N@H+](C)CC[NH3+]	160766520	538050942	/nfs/dbraw/zinc/05/09/42/538050942.db2.gz	KMDURFMQPSCJOK-QMMMGPOBSA-N	2	1	160.261	0.159	10	70		ACIEMP
COC[C@@H](C)C[N@@H+](C)CC[NH3+]	160766520	538050951	/nfs/dbraw/zinc/05/09/51/538050951.db2.gz	KMDURFMQPSCJOK-QMMMGPOBSA-N	2	1	160.261	0.159	10	70		ACIEMP
CO[C@H](C)C[N@H+](CC[NH3+])C(C)C	161013799	538054855	/nfs/dbraw/zinc/05/48/55/538054855.db2.gz	CTOZYKCGOBQEDT-SECBINFHSA-N	2	1	174.288	0.690	10	70		ACIEMP
CO[C@H](C)C[N@@H+](CC[NH3+])C(C)C	161013799	538054868	/nfs/dbraw/zinc/05/48/68/538054868.db2.gz	CTOZYKCGOBQEDT-SECBINFHSA-N	2	1	174.288	0.690	10	70		ACIEMP
CO[C@@H](C)C[N@H+](CC[NH3+])C(C)C	161013930	538055659	/nfs/dbraw/zinc/05/56/59/538055659.db2.gz	CTOZYKCGOBQEDT-VIFPVBQESA-N	2	1	174.288	0.690	10	70		ACIEMP
CO[C@@H](C)C[N@@H+](CC[NH3+])C(C)C	161013930	538055663	/nfs/dbraw/zinc/05/56/63/538055663.db2.gz	CTOZYKCGOBQEDT-VIFPVBQESA-N	2	1	174.288	0.690	10	70		ACIEMP
CC[C@H](CCO)[NH2+]C(C)(C)C[NH3+]	217795028	571937344	/nfs/dbraw/zinc/93/73/44/571937344.db2.gz	QMDFBXMVAQJPPS-MRVPVSSYSA-N	2	1	174.288	0.474	10	70		ACIEMP
C[C@H]1C[N@@H+]([C@H](C)CCC[NH3+])CCN1C	216705179	571944350	/nfs/dbraw/zinc/94/43/50/571944350.db2.gz	ADOQYGWNWAGUJY-MNOVXSKESA-N	2	1	199.342	0.750	10	70		ACIEMP
CC[C@@H](C[NH2+]C)N1CC[N@@H+](C)[C@@H](C)C1	216708398	571944487	/nfs/dbraw/zinc/94/44/87/571944487.db2.gz	YLTCQLIWIYKEJM-QWRGUYRKSA-N	2	1	199.342	0.620	10	70		ACIEMP
CC[C@H](C[NH2+]C)N1CC[N@@H+](C)[C@@H](C)C1	216708441	571947290	/nfs/dbraw/zinc/94/72/90/571947290.db2.gz	YLTCQLIWIYKEJM-WDEREUQCSA-N	2	1	199.342	0.620	10	70		ACIEMP
C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[NH2+]CC1	160697012	572043024	/nfs/dbraw/zinc/04/30/24/572043024.db2.gz	PLUBXUICCQPYOJ-WDEREUQCSA-N	2	1	199.342	0.668	10	70		ACIEMP
CC[C@H]1C[N@@H+](CCO)CC[C@@H]1[NH2+]C	159480200	573408108	/nfs/dbraw/zinc/40/81/08/573408108.db2.gz	BDTUHMMFKOCWDU-UWVGGRQHSA-N	2	1	186.299	0.299	10	70		ACIEMP
CC[C@@H]1C[N@@H+](CCO)CC[C@@H]1[NH2+]C	159480072	573408385	/nfs/dbraw/zinc/40/83/85/573408385.db2.gz	BDTUHMMFKOCWDU-ZJUUUORDSA-N	2	1	186.299	0.299	10	70		ACIEMP
CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C1	217921790	487027993	/nfs/dbraw/zinc/02/79/93/487027993.db2.gz	GDIJORJDATVUHN-GHMZBOCLSA-N	2	1	199.342	0.668	10	70		ACIEMP
CCC[N@@H+](CC)CCN[C@@H]1CC[NH2+]C1	217732264	487028204	/nfs/dbraw/zinc/02/82/04/487028204.db2.gz	KZOLCAXAFPOWRY-LLVKDONJSA-N	2	1	199.342	0.670	10	70		ACIEMP
CCC[N@@H+](CC)CCN[C@H]1CC[NH2+]C1	217732342	487028250	/nfs/dbraw/zinc/02/82/50/487028250.db2.gz	KZOLCAXAFPOWRY-NSHDSACASA-N	2	1	199.342	0.670	10	70		ACIEMP
CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C1	217921898	487028279	/nfs/dbraw/zinc/02/82/79/487028279.db2.gz	GDIJORJDATVUHN-WDEREUQCSA-N	2	1	199.342	0.668	10	70		ACIEMP
CC[N@@H+](CCN[C@H]1CC[NH2+]C1)C1CC1	217517317	409513398	/nfs/dbraw/zinc/51/33/98/409513398.db2.gz	GEYYWVLMRIXPBW-JTQLQIEISA-N	2	1	197.326	0.422	10	70		ACIEMP
C[C@H]1C[N@@H+](C[C@H](C)C(N)=[NH2+])CCCO1	217578549	344403495	/nfs/dbraw/zinc/40/34/95/344403495.db2.gz	AQTFSGLUWZLPHG-IUCAKERBSA-N	2	1	199.298	0.669	10	70		ACIEMP
C[N@H+]1CCC[C@H]1CNCc1ncc[nH]1	218234862	344410493	/nfs/dbraw/zinc/41/04/93/344410493.db2.gz	ONILJAAEAZYVQX-VIFPVBQESA-N	2	1	194.282	0.594	10	70		ACIEMP
CN1CCC[C@H]1C[NH2+]Cc1ncc[nH]1	218234862	344410495	/nfs/dbraw/zinc/41/04/95/344410495.db2.gz	ONILJAAEAZYVQX-VIFPVBQESA-N	2	1	194.282	0.594	10	70		ACIEMP
C[C@@H](CN[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1	217624958	409513172	/nfs/dbraw/zinc/51/31/72/409513172.db2.gz	QSGKBCNVXKMOFT-VHSXEESVSA-N	2	1	197.326	0.421	10	70		ACIEMP
CC[N@@H+](CCN[C@@H]1CC[NH2+]C1)C1CC1	217517229	409513190	/nfs/dbraw/zinc/51/31/90/409513190.db2.gz	GEYYWVLMRIXPBW-SNVBAGLBSA-N	2	1	197.326	0.422	10	70		ACIEMP
C[C@@H](CN[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1	217625122	409513246	/nfs/dbraw/zinc/51/32/46/409513246.db2.gz	QSGKBCNVXKMOFT-UWVGGRQHSA-N	2	1	197.326	0.421	10	70		ACIEMP
C[C@H](CN[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1	217625197	409513300	/nfs/dbraw/zinc/51/33/00/409513300.db2.gz	QSGKBCNVXKMOFT-ZJUUUORDSA-N	2	1	197.326	0.421	10	70		ACIEMP
C[C@H](CN[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1	217625033	409513335	/nfs/dbraw/zinc/51/33/35/409513335.db2.gz	QSGKBCNVXKMOFT-NXEZZACHSA-N	2	1	197.326	0.421	10	70		ACIEMP
CC(C)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+]	218274665	409514223	/nfs/dbraw/zinc/51/42/23/409514223.db2.gz	RHIGPKOUCVFCIV-IUCAKERBSA-N	2	1	174.288	0.282	10	70		ACIEMP
CC(C)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+]	218274612	409514525	/nfs/dbraw/zinc/51/45/25/409514525.db2.gz	RHIGPKOUCVFCIV-BDAKNGLRSA-N	2	1	174.288	0.282	10	70		ACIEMP