smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc(C2CC[NH+](CCC3CCCC3)CC2)n[nH]1	ZINC000160070309	183335818	/nfs/dbraw/zinc/33/58/18/183335818.db2.gz	NRXLONGVGMQDJE-UHFFFAOYSA-N	1	0	247.386	3.169	10	70		BGIERO
Cn1cc([C@@H]2CCC[N@@H+]2CCC2CCCC2)cn1	ZINC000160521883	349067050	/nfs/dbraw/zinc/06/70/50/349067050.db2.gz	KTOOKBUDXMOUFH-HNNXBMFYSA-N	1	0	247.386	3.137	10	70		BGIERO
Cn1cc([C@H]2CCC[N@@H+]2CCC2CCCC2)cn1	ZINC000160521964	349067900	/nfs/dbraw/zinc/06/79/00/349067900.db2.gz	KTOOKBUDXMOUFH-OAHLLOKOSA-N	1	0	247.386	3.137	10	70		BGIERO
C[C@@H]1C[N@H+](CCC2CCCC2)CCS1	ZINC000160583195	349259581	/nfs/dbraw/zinc/25/95/81/349259581.db2.gz	IRHHWGSFAGXIED-LLVKDONJSA-N	1	0	213.390	3.004	10	70		BGIERO
C[C@H]1C[N@H+](CCC2CCCC2)CCS1	ZINC000160583303	349259803	/nfs/dbraw/zinc/25/98/03/349259803.db2.gz	IRHHWGSFAGXIED-NSHDSACASA-N	1	0	213.390	3.004	10	70		BGIERO
CC[C@](C)(O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C	ZINC000161129263	398344250	/nfs/dbraw/zinc/34/42/50/398344250.db2.gz	QBDGIMZESUCLRH-IMJJTQAJSA-N	1	0	247.382	3.025	10	70		BGIERO
CC[C@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C	ZINC000161487073	385094610	/nfs/dbraw/zinc/09/46/10/385094610.db2.gz	GWMAGGIBMMUZFW-BPUTZDHNSA-N	1	0	247.382	3.025	10	70		BGIERO
Fc1ccc(Cl)c(F)c1[C@H]1CCCC[NH2+]1	ZINC000216640293	356473558	/nfs/dbraw/zinc/47/35/58/356473558.db2.gz	MCUMCJVCAMMSPO-SECBINFHSA-N	1	0	231.673	3.433	10	70		BGIERO
FC(F)(F)c1cc(Cl)c2c(c1)C[NH2+]CC2	ZINC000216935481	344129286	/nfs/dbraw/zinc/12/92/86/344129286.db2.gz	CMSAGUBFFAOXLZ-UHFFFAOYSA-N	1	0	235.636	3.005	10	70		BGIERO
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCOC1	ZINC000217425913	490441031	/nfs/dbraw/zinc/44/10/31/490441031.db2.gz	UIDMVSDXFKPJCX-KBXIAJHMSA-N	1	0	239.403	3.216	10	70		BGIERO
CC[C@@H]1CCSC(NCc2ccccc2)=[NH+]1	ZINC000218013902	372047167	/nfs/dbraw/zinc/04/71/67/372047167.db2.gz	YOVSSQDVOMJKPT-GFCCVEGCSA-N	1	0	234.368	3.048	10	70		BGIERO
CC[C@H]1CCSC(NCc2ccccc2)=[NH+]1	ZINC000218013987	372047397	/nfs/dbraw/zinc/04/73/97/372047397.db2.gz	YOVSSQDVOMJKPT-LBPRGKRZSA-N	1	0	234.368	3.048	10	70		BGIERO
C[N@@H+]1CCCCC[C@@H]1c1ccc(F)cc1	ZINC000218124545	350083553	/nfs/dbraw/zinc/08/35/53/350083553.db2.gz	DPTPAKDRESLCHQ-CYBMUJFWSA-N	1	0	207.292	3.373	10	70		BGIERO
CNc1ccc(C2CC[NH+](C(C)C)CC2)cc1	ZINC000218765912	353155962	/nfs/dbraw/zinc/15/59/62/353155962.db2.gz	ZMSFNYINOZCUGO-UHFFFAOYSA-N	1	0	232.371	3.316	10	70		BGIERO