smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCc3cccnc3)c2)CC1	ZINC000096775243	208324097	/nfs/dbraw/zinc/32/40/97/208324097.db2.gz	MMFQNFWWBYAPFP-QFIPXVFZSA-N	2	1	398.551	1.791	1	0		GDAFMP
c1ccc2c(c1)CC(Oc1nc(Nc3cc[nH+]cc3)nc(N3CC[NH2+]CC3)n1)C2	ZINC000045318052	581092284	/nfs/dbraw/zinc/09/22/84/581092284.db2.gz	CBZPYDUOYXRYPL-UHFFFAOYSA-N	2	1	389.463	1.966	1	0		GDAFMP
CN(C(=O)COc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1)c1ccccc1	ZINC000016954273	206297188	/nfs/dbraw/zinc/29/71/88/206297188.db2.gz	QOTIFYPZLMYTRL-UHFFFAOYSA-N	2	1	380.452	1.914	1	0		GDAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(COc2cccc(NC(N)=O)c2)c1	ZINC000013740735	210088209	/nfs/dbraw/zinc/08/82/09/210088209.db2.gz	QUJOYPHCUFJRJV-UHFFFAOYSA-N	2	1	381.440	1.942	1	0		GDAFMP
COc1ccc(C[NH2+]CCCSC)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000023359686	209176159	/nfs/dbraw/zinc/17/61/59/209176159.db2.gz	SYTVVYZCBPPYHV-GOSISDBHSA-N	2	1	397.585	1.525	1	0		GDAFMP
[NH3+]CCCC[NH+](CCC[NH3+])Cc1ccc(C[N@H+](CCC[NH3+])CCCC[NH3+])cc1	ZINC000013553207	210067623	/nfs/dbraw/zinc/06/76/23/210067623.db2.gz	JBRWYWSPZSYBRA-UHFFFAOYSA-N	6	1	392.636	1.466	1	0		GDAFMP
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)n1	ZINC000072123589	211071489	/nfs/dbraw/zinc/07/14/89/211071489.db2.gz	IXGIDKKCSASRGG-UHFFFAOYSA-N	2	1	375.440	1.976	1	0		GDAFMP
c1cc(C2=[NH+]CCN2)cc2[nH]c(Cc3nc4cc(C5=[NH+]CCN5)ccc4[nH]3)nc12	ZINC000005974304	212147931	/nfs/dbraw/zinc/14/79/31/212147931.db2.gz	NAJDTUYYOLRLRP-UHFFFAOYSA-N	2	1	384.447	1.730	1	0		GDAFMP
Cc1c[nH]c2nc[nH+]c(N3CCN(C(=O)[C@H]([NH3+])C4Cc5ccccc5C4)CC3)c12	ZINC000064539254	136156864	/nfs/dbraw/zinc/15/68/64/136156864.db2.gz	ZKLRNDJLDZGUSJ-LJQANCHMSA-N	2	1	390.491	1.657	1	0		GDAFMP