smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c[nH+]ccc1N1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1	ZINC000065425147	494195644	/nfs/dbraw/zinc/19/56/44/494195644.db2.gz	NBGSYRRUJPQQMT-UHFFFAOYSA-N	1	3	363.505	3.225	50	30		FGEAHO
C[N@@H+](Cc1c[nH]c(C#N)c1)CC1CCN(CCc2cccc(F)c2)CC1	ZINC000095531131	494988481	/nfs/dbraw/zinc/98/84/81/494988481.db2.gz	QQECSJNBZMIDRA-UHFFFAOYSA-N	1	3	354.473	3.412	50	30		FGEAHO
C[N@H+](Cc1c[nH]c(C#N)c1)CC1CCN(CCc2cccc(F)c2)CC1	ZINC000095531131	494988485	/nfs/dbraw/zinc/98/84/85/494988485.db2.gz	QQECSJNBZMIDRA-UHFFFAOYSA-N	1	3	354.473	3.412	50	30		FGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(OC)c(OC)c1	ZINC000002254832	204029958	/nfs/dbraw/zinc/02/99/58/204029958.db2.gz	HLEQAPQRMROJSR-VUQQOUJSSA-N	1	3	368.524	3.481	50	30		FGEAHO
C=CCNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000019300998	263374654	/nfs/dbraw/zinc/37/46/54/263374654.db2.gz	OUEYMHMSMSTXNW-UHFFFAOYSA-N	1	3	369.553	3.098	50	30		FGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000004785959	207047606	/nfs/dbraw/zinc/04/76/06/207047606.db2.gz	CDRXUTSNZIMIDB-NWRYFCBHSA-N	1	3	353.469	3.372	50	30		FGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001811043	493799111	/nfs/dbraw/zinc/79/91/11/493799111.db2.gz	CJMKVOORYRSKTA-OMJMQIJPSA-N	1	3	351.453	3.148	50	30		FGEAHO
C[N@@H+](Cc1cc(C#CCO)cs1)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000383170553	713980777	/nfs/dbraw/zinc/98/07/77/713980777.db2.gz	XYYCPPYAJQYTFV-FQEVSTJZSA-N	1	3	354.519	3.046	50	30		FGEAHO
C[N@H+](Cc1cc(C#CCO)cs1)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000383170553	713980779	/nfs/dbraw/zinc/98/07/79/713980779.db2.gz	XYYCPPYAJQYTFV-FQEVSTJZSA-N	1	3	354.519	3.046	50	30		FGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000004785417	207048257	/nfs/dbraw/zinc/04/82/57/207048257.db2.gz	BMWBXPPWYQHGKI-OMJMQIJPSA-N	1	3	351.453	3.148	50	30		FGEAHO
CC(C)C[NH+]1CCC([C@H]2CCN(Cc3cc(C#CCO)cs3)C2)CC1	ZINC000014975471	210145659	/nfs/dbraw/zinc/14/56/59/210145659.db2.gz	PJOPAEIEIDTXAA-FQEVSTJZSA-N	1	3	360.567	3.282	50	30		FGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000004785485	493893491	/nfs/dbraw/zinc/89/34/91/493893491.db2.gz	XDSAGDRQHQKRQN-NWRYFCBHSA-N	1	3	353.469	3.372	50	30		FGEAHO
C=CCOc1ccc(CN2CCC3(CC2)C[N@@H+](C)CCN3C)cc1CC=C	ZINC000067846654	494665412	/nfs/dbraw/zinc/66/54/12/494665412.db2.gz	BFXPBJVSRLOTAA-UHFFFAOYSA-N	1	3	369.553	3.192	50	30		FGEAHO
C=CCOc1ccc(CN2CCC3(CC2)C[N@H+](C)CCN3C)cc1CC=C	ZINC000067846654	494665425	/nfs/dbraw/zinc/66/54/25/494665425.db2.gz	BFXPBJVSRLOTAA-UHFFFAOYSA-N	1	3	369.553	3.192	50	30		FGEAHO
C=CCN1CC2(c3ccccc3)C[NH+](CC=C)CC(c3ccccc3)(C1)C2=O	ZINC000020058166	220310678	/nfs/dbraw/zinc/31/06/78/220310678.db2.gz	WHEXNEYOIKNLHZ-UHFFFAOYSA-N	1	3	372.512	3.435	50	30		FGEAHO
C[N@@H+](Cc1cc(C#CCO)cs1)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000383170554	713980876	/nfs/dbraw/zinc/98/08/76/713980876.db2.gz	XYYCPPYAJQYTFV-HXUWFJFHSA-N	1	3	354.519	3.046	50	30		FGEAHO
C[N@H+](Cc1cc(C#CCO)cs1)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000383170554	713980878	/nfs/dbraw/zinc/98/08/78/713980878.db2.gz	XYYCPPYAJQYTFV-HXUWFJFHSA-N	1	3	354.519	3.046	50	30		FGEAHO
CCN(CC)CCn1c(N)[n+](CC(=O)c2ccc(C)cc2)c2ccccc21	ZINC000137227792	495431155	/nfs/dbraw/zinc/43/11/55/495431155.db2.gz	XUXFFVVQPZCGDK-UHFFFAOYSA-O	1	3	365.501	3.044	50	30		FGEAHO
C[N@H+](CCn1cc(O)c(-c2nc3ccccc3s2)c1N)C1CCCCC1	ZINC000064838167	221153893	/nfs/dbraw/zinc/15/38/93/221153893.db2.gz	VDNGLACXVZIJNJ-UHFFFAOYSA-N	1	3	370.522	3.073	50	30		FGEAHO
C[N@@H+](CCn1cc(O)c(-c2nc3ccccc3s2)c1N)C1CCCCC1	ZINC000064838167	221153895	/nfs/dbraw/zinc/15/38/95/221153895.db2.gz	VDNGLACXVZIJNJ-UHFFFAOYSA-N	1	3	370.522	3.073	50	30		FGEAHO
C=CCOc1c(Br)cc(C[NH2+]CCCN(C)C)cc1OC	ZINC000008373825	494087549	/nfs/dbraw/zinc/08/75/49/494087549.db2.gz	PSAKMJCXYAFTAA-UHFFFAOYSA-N	1	3	357.292	3.064	50	30		FGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000004785415	204162955	/nfs/dbraw/zinc/16/29/55/204162955.db2.gz	BMWBXPPWYQHGKI-NWRYFCBHSA-N	1	3	351.453	3.148	50	30		FGEAHO
COc1ccc(C[NH2+]CCC2CCN(c3ccncc3)CC2)cc1C#N	ZINC000095462169	132211288	/nfs/dbraw/zinc/21/12/88/132211288.db2.gz	DRZZDXCIDISCES-UHFFFAOYSA-N	1	3	350.466	3.358	50	30		FGEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001811044	204021207	/nfs/dbraw/zinc/02/12/07/204021207.db2.gz	CJMKVOORYRSKTA-NWRYFCBHSA-N	1	3	351.453	3.148	50	30		FGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000004785958	204164510	/nfs/dbraw/zinc/16/45/10/204164510.db2.gz	CDRXUTSNZIMIDB-OMJMQIJPSA-N	1	3	353.469	3.372	50	30		FGEAHO
CC1(C)CC(n2cc(O)c(-c3nc4ccccc4s3)c2N)CC(C)(C)[NH2+]1	ZINC000196738093	206336319	/nfs/dbraw/zinc/33/63/19/206336319.db2.gz	OHQRPTSOEPRUTK-UHFFFAOYSA-N	1	3	370.522	3.118	50	30		FGEAHO
Cc1cc(C)c(C[NH+]2CCC(C)(C#N)CC2)cc1CN1CCN(C)CC1	ZINC000215656402	206350640	/nfs/dbraw/zinc/35/06/40/206350640.db2.gz	BLIUQCFMUWBQQA-UHFFFAOYSA-N	1	3	354.542	3.177	50	30		FGEAHO
C=C(C)[C@@H]1CC=C(C[NH+]2CCC(CCC(=O)NCCN(C)C)CC2)CC1	ZINC000012205690	494213966	/nfs/dbraw/zinc/21/39/66/494213966.db2.gz	OVWBBGDYQJTVQY-OAQYLSRUSA-N	1	3	361.574	3.459	50	30		FGEAHO
Cc1c[nH+]ccc1N1CCCN(Cc2ccc(C#CC(C)(C)O)s2)CC1	ZINC000065384917	206702097	/nfs/dbraw/zinc/70/20/97/206702097.db2.gz	MLPMUWZLPWMTEH-UHFFFAOYSA-N	1	3	369.534	3.286	50	30		FGEAHO
C=CCc1c(C)nc(N)nc1NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1	ZINC000091604492	519121841	/nfs/dbraw/zinc/12/18/41/519121841.db2.gz	MHJMCRXQFKHFSQ-GOSISDBHSA-N	1	3	355.461	3.484	50	30		FGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000004785484	493893209	/nfs/dbraw/zinc/89/32/09/493893209.db2.gz	XDSAGDRQHQKRQN-OMJMQIJPSA-N	1	3	353.469	3.372	50	30		FGEAHO
CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(COC)cc3)CC2)CC1	ZINC000328592721	498869917	/nfs/dbraw/zinc/86/99/17/498869917.db2.gz	RTPHWXCTHPFRIX-UHFFFAOYSA-N	1	3	373.541	3.486	50	30		FGEAHO
CC(C)C[NH+]1CCC([C@@H]2CCN(Cc3cc(C#CCO)cs3)C2)CC1	ZINC000014975468	220138666	/nfs/dbraw/zinc/13/86/66/220138666.db2.gz	PJOPAEIEIDTXAA-HXUWFJFHSA-N	1	3	360.567	3.282	50	30		FGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(OC)c(OC)c1	ZINC000002254834	493804150	/nfs/dbraw/zinc/80/41/50/493804150.db2.gz	HLEQAPQRMROJSR-MXDDHBLUSA-N	1	3	368.524	3.481	50	30		FGEAHO
C=CCc1c(C)nc(N)nc1NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1	ZINC000091604491	519123175	/nfs/dbraw/zinc/12/31/75/519123175.db2.gz	MHJMCRXQFKHFSQ-SFHVURJKSA-N	1	3	355.461	3.484	50	30		FGEAHO