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)CCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	160600803	486976543	/nfs/dbraw/zinc/97/65/43/486976543.db2.gz	FYIPSOSDCCDBCJ-VXGBXAGGSA-N	2	0	198.354	2.092	20	70		AEIDRP
CCC[C@H](CC)[NH2+][C@@H]1CCC[NH2+]CC1	160676507	486977445	/nfs/dbraw/zinc/97/74/45/486977445.db2.gz	QQZZAMMMMZMBAU-NWDGAFQWSA-N	2	0	198.354	2.297	20	70		AEIDRP
CC(C)CCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160600692	486976169	/nfs/dbraw/zinc/97/61/69/486976169.db2.gz	FYIPSOSDCCDBCJ-NEPJUHHUSA-N	2	0	198.354	2.092	20	70		AEIDRP
CCC(CC)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160575313	486976206	/nfs/dbraw/zinc/97/62/06/486976206.db2.gz	GUFMCBTZCXNZLB-PWSUYJOCSA-N	2	0	198.354	2.092	20	70		AEIDRP
CCC(CC)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	160575442	486976284	/nfs/dbraw/zinc/97/62/84/486976284.db2.gz	GUFMCBTZCXNZLB-ZYHUDNBSSA-N	2	0	198.354	2.092	20	70		AEIDRP
C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(C)(C)C)C1	160573246	486976421	/nfs/dbraw/zinc/97/64/21/486976421.db2.gz	RLKATGDXMOIGFX-WDEREUQCSA-N	2	0	198.354	2.092	20	70		AEIDRP
C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(C)(C)C)C1	160573362	486976512	/nfs/dbraw/zinc/97/65/12/486976512.db2.gz	RLKATGDXMOIGFX-GHMZBOCLSA-N	2	0	198.354	2.092	20	70		AEIDRP
C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(C)(C)C)C1	160573631	486976586	/nfs/dbraw/zinc/97/65/86/486976586.db2.gz	RLKATGDXMOIGFX-MNOVXSKESA-N	2	0	198.354	2.092	20	70		AEIDRP
C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(C)(C)C)C1	160573493	486976656	/nfs/dbraw/zinc/97/66/56/486976656.db2.gz	RLKATGDXMOIGFX-QWRGUYRKSA-N	2	0	198.354	2.092	20	70		AEIDRP
CCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1	160677139	486977246	/nfs/dbraw/zinc/97/72/46/486977246.db2.gz	USIIXLHVMSNBTR-NEPJUHHUSA-N	2	0	198.354	2.297	20	70		AEIDRP
CC(C)CCC[NH2+][C@H]1CCC[NH2+]CC1	160670157	486977260	/nfs/dbraw/zinc/97/72/60/486977260.db2.gz	ILZPHOMXDKZCQO-LBPRGKRZSA-N	2	0	198.354	2.154	20	70		AEIDRP
CCC[C@H](CC)[NH2+][C@H]1CCC[NH2+]CC1	160676728	486977376	/nfs/dbraw/zinc/97/73/76/486977376.db2.gz	QQZZAMMMMZMBAU-RYUDHWBXSA-N	2	0	198.354	2.297	20	70		AEIDRP
CCC[C@@H](CC)[NH2+][C@H]1CCC[NH2+]CC1	160676624	486977567	/nfs/dbraw/zinc/97/75/67/486977567.db2.gz	QQZZAMMMMZMBAU-NEPJUHHUSA-N	2	0	198.354	2.297	20	70		AEIDRP
CCC[C@@H](CC)[NH2+][C@@H]1CCC[NH2+]CC1	160676374	486977650	/nfs/dbraw/zinc/97/76/50/486977650.db2.gz	QQZZAMMMMZMBAU-VXGBXAGGSA-N	2	0	198.354	2.297	20	70		AEIDRP
CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(C)C	160672720	486977665	/nfs/dbraw/zinc/97/76/65/486977665.db2.gz	HTYHMZUWTLQDDC-NEPJUHHUSA-N	2	0	198.354	2.153	20	70		AEIDRP
CC(C)CCC[NH2+][C@@H]1CCC[NH2+]CC1	160670029	486977839	/nfs/dbraw/zinc/97/78/39/486977839.db2.gz	ILZPHOMXDKZCQO-GFCCVEGCSA-N	2	0	198.354	2.154	20	70		AEIDRP
CCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1	160677235	486977927	/nfs/dbraw/zinc/97/79/27/486977927.db2.gz	USIIXLHVMSNBTR-RYUDHWBXSA-N	2	0	198.354	2.297	20	70		AEIDRP
CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C(C)C	160672962	486977977	/nfs/dbraw/zinc/97/79/77/486977977.db2.gz	HTYHMZUWTLQDDC-RYUDHWBXSA-N	2	0	198.354	2.153	20	70		AEIDRP
CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(C)C	160672848	486977988	/nfs/dbraw/zinc/97/79/88/486977988.db2.gz	HTYHMZUWTLQDDC-VXGBXAGGSA-N	2	0	198.354	2.153	20	70		AEIDRP
CCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1	160677006	486978007	/nfs/dbraw/zinc/97/80/07/486978007.db2.gz	USIIXLHVMSNBTR-NWDGAFQWSA-N	2	0	198.354	2.297	20	70		AEIDRP
CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C(C)C	160673087	486978034	/nfs/dbraw/zinc/97/80/34/486978034.db2.gz	HTYHMZUWTLQDDC-NWDGAFQWSA-N	2	0	198.354	2.153	20	70		AEIDRP
CCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1	160676894	486978048	/nfs/dbraw/zinc/97/80/48/486978048.db2.gz	USIIXLHVMSNBTR-VXGBXAGGSA-N	2	0	198.354	2.297	20	70		AEIDRP
CCC[NH2+]CC[NH2+]CC(CC)CC	161339462	486980316	/nfs/dbraw/zinc/98/03/16/486980316.db2.gz	AHIVITBUGRWJFW-UHFFFAOYSA-N	2	0	186.343	2.012	20	70		AEIDRP
CC(C)CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1	217975507	487028995	/nfs/dbraw/zinc/02/89/95/487028995.db2.gz	UPFIQEOEGYXBAZ-NWDGAFQWSA-N	2	0	198.354	2.092	20	70		AEIDRP