smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H]([NH3+])C(=O)O[C@@H](N)C(=O)NCC[NH+](C)C	ZINC000001704452	372756594	/nfs/dbraw/zinc/75/65/94/372756594.db2.gz	XCGJJOPOEMVPSK-VHSXEESVSA-N	2	1	274.365	-1.134	40	0		CAABMP
O=C(CN1CC[NH2+]CC1)NCCC[NH+]1CCOCC1	ZINC000037393657	372794250	/nfs/dbraw/zinc/79/42/50/372794250.db2.gz	WPDIOTPBAYLQHN-UHFFFAOYSA-N	2	1	270.377	-1.270	40	0		CAABMP
C[NH+]1CCN(C[C@H](O)CN2CCC[NH2+]CC2)CC1	ZINC000064875906	374075124	/nfs/dbraw/zinc/07/51/24/374075124.db2.gz	JAMSSPURYNGIKO-CYBMUJFWSA-N	2	1	256.394	-1.110	40	0		CAABMP
C[NH+]1CCN(C[C@@H](O)CN2CCC[NH2+]CC2)CC1	ZINC000064875908	374075284	/nfs/dbraw/zinc/07/52/84/374075284.db2.gz	JAMSSPURYNGIKO-ZDUSSCGKSA-N	2	1	256.394	-1.110	40	0		CAABMP
C[NH2+][C@@H]1C[C@@H](O)[C@](O)(CN2CC[NH+](C)CC2)[C@@H](O)C1	ZINC000257243066	190018445	/nfs/dbraw/zinc/01/84/45/190018445.db2.gz	IFIVGKZJYPMYAC-CZWJUEIWSA-N	2	1	273.377	-1.932	40	0		CAABMP
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1O	ZINC000096296098	409543635	/nfs/dbraw/zinc/54/36/35/409543635.db2.gz	NWLZQNQXQCZWNS-WZRBSPASSA-N	2	1	287.360	-1.781	40	0	biogenic,in-vitro	CAABMP
CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CC[NH+](C)CC1	ZINC000020465195	171209475	/nfs/dbraw/zinc/20/94/75/171209475.db2.gz	SVTFICKSXDEBJQ-ZOBORPQBSA-N	2	1	287.404	-1.279	40	0	biogenic,in-vitro	CAABMP
C[NH+](C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CC[NH+](C)CC1	ZINC000020465197	171209589	/nfs/dbraw/zinc/20/95/89/171209589.db2.gz	IGIZZNSAOVCTHJ-MROQNXINSA-N	2	1	273.377	-1.715	40	0	biogenic,in-vitro	CAABMP
C[NH2+][C@@H]1C[C@@H](O)[C@](O)(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](O)C1	ZINC000257202010	277296393	/nfs/dbraw/zinc/29/63/93/277296393.db2.gz	AKCRBLMRDZJFGM-COEJNUGVSA-N	2	1	288.388	-1.070	40	0		CAABMP
CC(C)C[C@@H]([NH3+])C(=O)O[C@@H](N)C(=O)NCC[NH+](C)C	ZINC000001704453	372756779	/nfs/dbraw/zinc/75/67/79/372756779.db2.gz	XCGJJOPOEMVPSK-NXEZZACHSA-N	2	1	274.365	-1.134	40	0		CAABMP
CC(C)C[C@H]([NH3+])C(=O)O[C@H](N)C(=O)NCC[NH+](C)C	ZINC000001704450	372757195	/nfs/dbraw/zinc/75/71/95/372757195.db2.gz	XCGJJOPOEMVPSK-UWVGGRQHSA-N	2	1	274.365	-1.134	40	0		CAABMP
CC(C)C[C@@H]([NH3+])C(=O)O[C@H](N)C(=O)NCC[NH+](C)C	ZINC000001704451	372757210	/nfs/dbraw/zinc/75/72/10/372757210.db2.gz	XCGJJOPOEMVPSK-ZJUUUORDSA-N	2	1	274.365	-1.134	40	0		CAABMP