smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@@H](O)c1cc2n(n1)CC[N@@H+](C1CCOCC1)C2	ZINC000217987353	352234348	/nfs/dbraw/zinc/23/43/48/352234348.db2.gz	CLAAFGUABAYOSX-CYBMUJFWSA-N	1	1	267.329	-0.097	50	70		CBIAMO
OC[C@@H](O)c1cc2n(n1)CC[N@H+](C1CCOCC1)C2	ZINC000217987353	352234349	/nfs/dbraw/zinc/23/43/49/352234349.db2.gz	CLAAFGUABAYOSX-CYBMUJFWSA-N	1	1	267.329	-0.097	50	70		CBIAMO
C[N@H+]1CC[C@](C)(CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1	ZINC000217941255	352233788	/nfs/dbraw/zinc/23/37/88/352233788.db2.gz	ZAUYBHRBHOSNDE-CYBMUJFWSA-N	1	1	280.328	-0.936	50	70		CBIAMO
Nc1cc[nH+]c(N2CCCn3nc([C@H](O)CO)cc3C2)n1	ZINC000217387221	352233300	/nfs/dbraw/zinc/23/33/00/352233300.db2.gz	AFQGFFHFEKOKJB-LLVKDONJSA-N	1	1	290.327	-0.309	50	70		CBIAMO
Nc1cc[nH+]c(N2CCCn3nc([C@@H](O)CO)cc3C2)n1	ZINC000217387152	352232850	/nfs/dbraw/zinc/23/28/50/352232850.db2.gz	AFQGFFHFEKOKJB-NSHDSACASA-N	1	1	290.327	-0.309	50	70		CBIAMO
Cc1[nH+]cn(CCNC(=O)CN2CCOCC2)c1C	ZINC000218699936	352235772	/nfs/dbraw/zinc/23/57/72/352235772.db2.gz	SGZICEVFWYYSBI-UHFFFAOYSA-N	1	1	266.345	-0.052	50	70		CBIAMO
COCCn1ccnc1CN1CC[N@H+](C)[C@@H](CO)C1	ZINC000217063631	352232799	/nfs/dbraw/zinc/23/27/99/352232799.db2.gz	DBIWZKNOOVCVOB-GFCCVEGCSA-N	1	1	268.361	-0.362	50	70		CBIAMO
COCCn1ccnc1CN1CC[N@@H+](C)[C@@H](CO)C1	ZINC000217063631	352232803	/nfs/dbraw/zinc/23/28/03/352232803.db2.gz	DBIWZKNOOVCVOB-GFCCVEGCSA-N	1	1	268.361	-0.362	50	70		CBIAMO
OC[C@H](O)c1cc2n(n1)CC[N@@H+](C1CCOCC1)C2	ZINC000217987438	352234359	/nfs/dbraw/zinc/23/43/59/352234359.db2.gz	CLAAFGUABAYOSX-ZDUSSCGKSA-N	1	1	267.329	-0.097	50	70		CBIAMO
OC[C@H](O)c1cc2n(n1)CC[N@H+](C1CCOCC1)C2	ZINC000217987438	352234361	/nfs/dbraw/zinc/23/43/61/352234361.db2.gz	CLAAFGUABAYOSX-ZDUSSCGKSA-N	1	1	267.329	-0.097	50	70		CBIAMO
Cc1c[nH]c(C(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)n1	ZINC000218558206	280278683	/nfs/dbraw/zinc/27/86/83/280278683.db2.gz	JVXFKNRVNLTGBG-LLVKDONJSA-N	1	1	263.345	-0.210	50	70		CBIAMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(O)cn1	ZINC000216955043	530070341	/nfs/dbraw/zinc/07/03/41/530070341.db2.gz	DFLLUCQRUWYLIL-JTQLQIEISA-N	1	1	264.329	-0.237	50	70		CBIAMO
Nc1ccnc(N2CC[N@H+](C3CCOCC3)C[C@@H](O)C2)n1	ZINC000217444667	352233452	/nfs/dbraw/zinc/23/34/52/352233452.db2.gz	ZJOSFCHMLPLWCV-GFCCVEGCSA-N	1	1	293.371	-0.279	50	70		CBIAMO
C[N@H+]1CCC[C@@H](C(=O)NCc2c[nH]c(=O)[nH]c2=O)C1	ZINC000216959096	352232614	/nfs/dbraw/zinc/23/26/14/352232614.db2.gz	QZDKMGQSWUVJMP-MRVPVSSYSA-N	1	1	266.301	-0.979	50	70		CBIAMO
C[N@H+]1CCC[C@H](C(=O)NCc2c[nH]c(=O)[nH]c2=O)C1	ZINC000216959118	352232923	/nfs/dbraw/zinc/23/29/23/352232923.db2.gz	QZDKMGQSWUVJMP-QMMMGPOBSA-N	1	1	266.301	-0.979	50	70		CBIAMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(N)n1	ZINC000217020686	352232306	/nfs/dbraw/zinc/23/23/06/352232306.db2.gz	UNJTXUFKEUKNOO-JTQLQIEISA-N	1	1	263.345	-0.361	50	70		CBIAMO
C[N@H+]1CC[C@@](C)(CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1	ZINC000217941174	352233756	/nfs/dbraw/zinc/23/37/56/352233756.db2.gz	ZAUYBHRBHOSNDE-ZDUSSCGKSA-N	1	1	280.328	-0.936	50	70		CBIAMO