smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)cc1	ZINC000041054706	183159470	/nfs/dbraw/zinc/15/94/70/183159470.db2.gz	QYRWPJBPFXNPRJ-UHFFFAOYSA-N	1	1	313.282	4.869	10	30		DJEEMO
CCCCN(C=[NH+]c1nc2ccc(Cl)cc2[nH]1)CCCC	ZINC000004123642	520337855	/nfs/dbraw/zinc/33/78/55/520337855.db2.gz	QWAADZQWUFDKGU-LDADJPATSA-N	1	1	306.841	4.778	10	30		DJEEMO
CC(C)c1csc([C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1	ZINC000174875127	337145179	/nfs/dbraw/zinc/14/51/79/337145179.db2.gz	VGURIFHCPXNMKE-HNNXBMFYSA-N	1	1	319.518	4.776	10	30		DJEEMO
CCN(CC)c1ccc(C=[NH+]Nc2ccc(C)c(Cl)c2)cc1	ZINC000006368115	181334460	/nfs/dbraw/zinc/33/44/60/181334460.db2.gz	QFKPLTKORLVWLH-DEDYPNTBSA-N	1	1	315.848	4.941	10	30		DJEEMO
CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1	ZINC000160723739	333367803	/nfs/dbraw/zinc/36/78/03/333367803.db2.gz	CMUUWXKNBANYGN-HNNXBMFYSA-N	1	1	313.470	4.763	10	30		DJEEMO
C=C(C)C[N@H+](CC)Cc1nc(-c2ccccc2Cl)oc1C	ZINC000012587400	518598871	/nfs/dbraw/zinc/59/88/71/518598871.db2.gz	DULBCPRKHUIFRQ-UHFFFAOYSA-N	1	1	304.821	4.701	10	30		DJEEMO
C=CC[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1[C@H](CO)c1ccccc1	ZINC000005480655	181248663	/nfs/dbraw/zinc/24/86/63/181248663.db2.gz	COQIVGFVEFTPTM-QHAWAJNXSA-N	1	1	307.437	4.502	10	30		DJEEMO
C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)c(Cl)c1	ZINC000182270806	333037424	/nfs/dbraw/zinc/03/74/24/333037424.db2.gz	PXAZREZGEVIQMC-LLVKDONJSA-N	1	1	305.208	4.716	10	30		DJEEMO
CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1	ZINC000160723583	333367830	/nfs/dbraw/zinc/36/78/30/333367830.db2.gz	CMUUWXKNBANYGN-OAHLLOKOSA-N	1	1	313.470	4.763	10	30		DJEEMO
C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1c(Cl)ccc(F)c1Cl	ZINC000037748300	340786442	/nfs/dbraw/zinc/78/64/42/340786442.db2.gz	ZVRYVXRNFPSHHK-JTQLQIEISA-N	1	1	323.198	4.855	10	30		DJEEMO
C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)c(Cl)c1	ZINC000182270783	333037407	/nfs/dbraw/zinc/03/74/07/333037407.db2.gz	PXAZREZGEVIQMC-NSHDSACASA-N	1	1	305.208	4.716	10	30		DJEEMO
C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(Cl)c1	ZINC000187401222	340519708	/nfs/dbraw/zinc/51/97/08/340519708.db2.gz	WIHMSGDWGYACBT-NSHDSACASA-N	1	1	305.208	4.716	10	30		DJEEMO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1c(Cl)ccc(F)c1Cl	ZINC000037748738	340786482	/nfs/dbraw/zinc/78/64/82/340786482.db2.gz	YAEBCPFJCOUZSC-SNVBAGLBSA-N	1	1	323.198	4.855	10	30		DJEEMO
CN(C)c1ccc(/[NH+]=C/C=C2\N(C)c3ccccc3C2(C)C)cc1	ZINC000005841969	181288137	/nfs/dbraw/zinc/28/81/37/181288137.db2.gz	JWYJYJWDFHHNRC-UAKSEAGPSA-N	1	1	319.452	4.766	10	30		DJEEMO
CCCCCCCCCC[N@H+]1CCC[C@H](C(=O)N(CC)CC)C1	ZINC000042988492	183326075	/nfs/dbraw/zinc/32/60/75/183326075.db2.gz	QHDWRYQSNODWBJ-IBGZPJMESA-N	1	1	324.553	4.708	10	30		DJEEMO
CCN(CC)c1ccc(C=[NH+]Nc2ccc(Cl)cc2)cc1	ZINC000006318338	181329947	/nfs/dbraw/zinc/32/99/47/181329947.db2.gz	YXUWJVBQFYOBAM-CPNJWEJPSA-N	1	1	301.821	4.632	10	30		DJEEMO
CCCCCCCCCC[N@H+]1CCC[C@@H](C(=O)N(CC)CC)C1	ZINC000042988494	183326373	/nfs/dbraw/zinc/32/63/73/183326373.db2.gz	QHDWRYQSNODWBJ-LJQANCHMSA-N	1	1	324.553	4.708	10	30		DJEEMO
N#Cc1ccccc1Nc1cc[nH+]c2ccc(C(F)(F)F)cc12	ZINC000041054673	183158821	/nfs/dbraw/zinc/15/88/21/183158821.db2.gz	FSAZLAFMJKQDKO-UHFFFAOYSA-N	1	1	313.282	4.869	10	30		DJEEMO
C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1c(Cl)ccc(F)c1Cl	ZINC000037748301	340786433	/nfs/dbraw/zinc/78/64/33/340786433.db2.gz	ZVRYVXRNFPSHHK-SNVBAGLBSA-N	1	1	323.198	4.855	10	30		DJEEMO
CC(C)c1csc([C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1	ZINC000174875116	337145095	/nfs/dbraw/zinc/14/50/95/337145095.db2.gz	VGURIFHCPXNMKE-OAHLLOKOSA-N	1	1	319.518	4.776	10	30		DJEEMO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1c(Cl)ccc(F)c1Cl	ZINC000037748737	340786455	/nfs/dbraw/zinc/78/64/55/340786455.db2.gz	YAEBCPFJCOUZSC-JTQLQIEISA-N	1	1	323.198	4.855	10	30		DJEEMO
Cc1cc2c(cc1C)C(Nc1ccc(Cl)cc1)=[NH+]C(C)(C)C2	ZINC000003671753	563326005	/nfs/dbraw/zinc/32/60/05/563326005.db2.gz	AHNBSDSLTNVYCC-UHFFFAOYSA-N	1	1	312.844	4.959	10	30		DJEEMO