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(C)C[NH+]1CCC(N[C@@H]2CCCc3nc(C)sc32)CC1	ZINC000095422058	431925616	/nfs/dbraw/zinc/92/56/16/431925616.db2.gz	CHBUEWQDHJEXTG-MRXNPFEDSA-N	1	3	305.491	3.459	50	30		DGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccs1	ZINC000004802286	431305236	/nfs/dbraw/zinc/30/52/36/431305236.db2.gz	DENNSFYXNIEZBU-GPILYODUSA-N	1	3	312.485	3.302	50	30		DGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1	ZINC000004828760	431302718	/nfs/dbraw/zinc/30/27/18/431302718.db2.gz	FEMOCSLIXIJWDV-GPLLRDDGSA-N	1	3	306.456	3.240	50	30		DGEAHO
N#Cc1ccc(C[NH2+]CCC2CCN(c3ccncc3)CC2)cc1	ZINC000095999404	431933534	/nfs/dbraw/zinc/93/35/34/431933534.db2.gz	NNKVFUKQGMKVIZ-UHFFFAOYSA-N	1	3	320.440	3.350	50	30		DGEAHO
N#Cc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1	ZINC000096403992	431945358	/nfs/dbraw/zinc/94/53/58/431945358.db2.gz	UMIVIWGDEFDJAB-NRFANRHFSA-N	1	3	319.452	3.212	50	30		DGEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000000070528	431119895	/nfs/dbraw/zinc/11/98/95/431119895.db2.gz	LTGCEMOOHHLWIT-FSKGUYTJSA-N	1	3	314.863	3.337	50	30		DGEAHO
N#Cc1cccc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1	ZINC000011095024	431472712	/nfs/dbraw/zinc/47/27/12/431472712.db2.gz	RGLNNRKOFZPFIY-UHFFFAOYSA-N	1	3	305.425	3.444	50	30		DGEAHO
N#Cc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1	ZINC000096403991	431945517	/nfs/dbraw/zinc/94/55/17/431945517.db2.gz	UMIVIWGDEFDJAB-OAQYLSRUSA-N	1	3	319.452	3.212	50	30		DGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1	ZINC000004828759	431304499	/nfs/dbraw/zinc/30/44/99/431304499.db2.gz	FEMOCSLIXIJWDV-MFVBVHDHSA-N	1	3	306.456	3.240	50	30		DGEAHO
CCCCCCC[C@H]1NC(=N)NC(=[NH2+])N1c1cccc(C)c1	ZINC000097973066	400287635	/nfs/dbraw/zinc/28/76/35/400287635.db2.gz	WVZXAZHRFNXYRX-HNNXBMFYSA-N	1	3	301.438	3.131	50	30		DGEAHO
N#Cc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000053136773	431960557	/nfs/dbraw/zinc/96/05/57/431960557.db2.gz	QVSNQIBAIOBTKH-UHFFFAOYSA-N	1	3	305.425	3.444	50	30		DGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1	ZINC000004785744	283315941	/nfs/dbraw/zinc/31/59/41/283315941.db2.gz	FNWSPVBNFUQUJK-GPLLRDDGSA-N	1	3	308.472	3.464	50	30		DGEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccnc1	ZINC000004785809	181152349	/nfs/dbraw/zinc/15/23/49/181152349.db2.gz	PWDOPTJOMBQTSY-FHNWIRHTSA-N	1	3	323.487	3.249	50	30		DGEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000000070521	277022038	/nfs/dbraw/zinc/02/20/38/277022038.db2.gz	LTGCEMOOHHLWIT-OUZNOSRWSA-N	1	3	314.863	3.337	50	30		DGEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccco1	ZINC000002260885	431249075	/nfs/dbraw/zinc/24/90/75/431249075.db2.gz	UKKRSPJWILADCX-YUSFRKCESA-N	1	3	312.460	3.447	50	30		DGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(O)cc1	ZINC000004826658	181158305	/nfs/dbraw/zinc/15/83/05/181158305.db2.gz	TULYGCPWHJOEDR-NWRYFCBHSA-N	1	3	324.471	3.170	50	30		DGEAHO
CCCCCCC[C@@H]1NC(=N)NC(=[NH2+])N1c1cccc(C)c1	ZINC000097973065	400288181	/nfs/dbraw/zinc/28/81/81/400288181.db2.gz	WVZXAZHRFNXYRX-OAHLLOKOSA-N	1	3	301.438	3.131	50	30		DGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccs1	ZINC000004802304	431304566	/nfs/dbraw/zinc/30/45/66/431304566.db2.gz	DENNSFYXNIEZBU-PDICVPPASA-N	1	3	312.485	3.302	50	30		DGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1	ZINC000004785745	283315919	/nfs/dbraw/zinc/31/59/19/283315919.db2.gz	FNWSPVBNFUQUJK-MFVBVHDHSA-N	1	3	308.472	3.464	50	30		DGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(O)cc1	ZINC000004826652	283315968	/nfs/dbraw/zinc/31/59/68/283315968.db2.gz	TULYGCPWHJOEDR-OMJMQIJPSA-N	1	3	324.471	3.170	50	30		DGEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccco1	ZINC000002260883	431247648	/nfs/dbraw/zinc/24/76/48/431247648.db2.gz	UKKRSPJWILADCX-KPENOIPVSA-N	1	3	312.460	3.447	50	30		DGEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccnc1	ZINC000004785808	431300046	/nfs/dbraw/zinc/30/00/46/431300046.db2.gz	PWDOPTJOMBQTSY-NCUBORBFSA-N	1	3	323.487	3.249	50	30		DGEAHO
CC[NH+]1CCC(NCc2cn(CCC#N)c3ccccc23)CC1	ZINC000009834801	431447837	/nfs/dbraw/zinc/44/78/37/431447837.db2.gz	RGYQQRVYSOYWOB-UHFFFAOYSA-N	1	3	310.445	3.129	50	30		DGEAHO
C[NH+](C)C[C@H]1[C@@H]2CN(Cc3ccc(-c4ccccc4C#N)o3)C[C@H]12	ZINC000102664581	431996260	/nfs/dbraw/zinc/99/62/60/431996260.db2.gz	DLNZJIJRDMVBDZ-LDLYASANSA-N	1	3	321.424	3.058	50	30		DGEAHO
N#Cc1cccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1	ZINC000096403993	431945810	/nfs/dbraw/zinc/94/58/10/431945810.db2.gz	CKADLNIWGLDUCP-OAQYLSRUSA-N	1	3	319.452	3.212	50	30		DGEAHO
C=C(C)C[NH+]1CCC(N[C@H]2CCCc3nc(C)sc32)CC1	ZINC000095422059	431925681	/nfs/dbraw/zinc/92/56/81/431925681.db2.gz	CHBUEWQDHJEXTG-INIZCTEOSA-N	1	3	305.491	3.459	50	30		DGEAHO
N#Cc1cccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1	ZINC000096403994	431945409	/nfs/dbraw/zinc/94/54/09/431945409.db2.gz	CKADLNIWGLDUCP-NRFANRHFSA-N	1	3	319.452	3.212	50	30		DGEAHO