smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cn1	ZINC000126297556	823833481	/nfs/dbraw/zinc/83/34/81/823833481.db2.gz	OBACMSKJWPJFRI-SFHVURJKSA-N	2	2	375.520	4.417	20	10		GICDLP
C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000121237190	823144860	/nfs/dbraw/zinc/14/48/60/823144860.db2.gz	UWHSMQRYNALVPD-SFHVURJKSA-N	2	2	399.604	4.024	20	10		GICDLP
C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCCCC2)cc1	ZINC000163747018	823744834	/nfs/dbraw/zinc/74/48/34/823744834.db2.gz	PVXRMXKARIFBRS-NRFANRHFSA-N	2	2	393.575	4.360	20	10		GICDLP
Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4ccccc4c3O)CC2)nc(C)[nH+]1	ZINC000185655032	822807327	/nfs/dbraw/zinc/80/73/27/822807327.db2.gz	YFCAELQYUDFVBU-INIZCTEOSA-N	2	2	376.504	4.272	20	10		GICDLP
COc1ccc(N2CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)cc1	ZINC000167861219	823897204	/nfs/dbraw/zinc/89/72/04/823897204.db2.gz	IOKOQAGLRCPKLD-LJQANCHMSA-N	2	2	381.564	4.383	20	10		GICDLP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2ccccc2c1O	ZINC000184894309	822708945	/nfs/dbraw/zinc/70/89/45/822708945.db2.gz	TYTDZSUKMDNCCJ-GOSISDBHSA-N	2	2	376.500	4.228	20	10		GICDLP
C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2ccccc2c1O	ZINC000185063326	822731297	/nfs/dbraw/zinc/73/12/97/822731297.db2.gz	GGITUZVGFJGENB-GOSISDBHSA-N	2	2	376.500	4.228	20	10		GICDLP
Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4ccccc4c3O)CC2)nc(C)[nH+]1	ZINC000185655050	822807356	/nfs/dbraw/zinc/80/73/56/822807356.db2.gz	YFCAELQYUDFVBU-MRXNPFEDSA-N	2	2	376.504	4.272	20	10		GICDLP
C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2ccccc2c1O	ZINC000185084902	822734737	/nfs/dbraw/zinc/73/47/37/822734737.db2.gz	BUUAECFVBQTMHT-LJQANCHMSA-N	2	2	389.543	4.144	20	10		GICDLP
Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cn1	ZINC000126297832	823833409	/nfs/dbraw/zinc/83/34/09/823833409.db2.gz	OBACMSKJWPJFRI-GOSISDBHSA-N	2	2	375.520	4.417	20	10		GICDLP
C[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000121237366	823144994	/nfs/dbraw/zinc/14/49/94/823144994.db2.gz	UWHSMQRYNALVPD-GOSISDBHSA-N	2	2	399.604	4.024	20	10		GICDLP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3csc(C(C)C)n3)cc2F)CC1	ZINC000186328554	822876822	/nfs/dbraw/zinc/87/68/22/822876822.db2.gz	IOWWMOCJNJTQSL-MRXNPFEDSA-N	2	2	390.572	4.398	20	10		GICDLP
C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2ccccc2c1O	ZINC000185084882	822734812	/nfs/dbraw/zinc/73/48/12/822734812.db2.gz	BUUAECFVBQTMHT-IBGZPJMESA-N	2	2	389.543	4.144	20	10		GICDLP
C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000163615621	823728315	/nfs/dbraw/zinc/72/83/15/823728315.db2.gz	NVCNATAZGXIBBP-SFHVURJKSA-N	2	2	378.545	4.276	20	10		GICDLP
Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(Cl)ccc3O)CC2)oc1C	ZINC000185430029	822782893	/nfs/dbraw/zinc/78/28/93/822782893.db2.gz	ZHCPLSRWDDNPGF-AWEZNQCLSA-N	2	2	377.916	4.213	20	10		GICDLP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3csc(C(C)C)n3)cc2F)CC1	ZINC000186328532	822876786	/nfs/dbraw/zinc/87/67/86/822876786.db2.gz	IOWWMOCJNJTQSL-INIZCTEOSA-N	2	2	390.572	4.398	20	10		GICDLP
C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000163615730	823728180	/nfs/dbraw/zinc/72/81/80/823728180.db2.gz	NVCNATAZGXIBBP-GOSISDBHSA-N	2	2	378.545	4.276	20	10		GICDLP
COc1ccc(N2CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)cc1	ZINC000167861097	823897168	/nfs/dbraw/zinc/89/71/68/823897168.db2.gz	IOKOQAGLRCPKLD-IBGZPJMESA-N	2	2	381.564	4.383	20	10		GICDLP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2ccccc2c1O	ZINC000184894288	822708955	/nfs/dbraw/zinc/70/89/55/822708955.db2.gz	TYTDZSUKMDNCCJ-SFHVURJKSA-N	2	2	376.500	4.228	20	10		GICDLP
C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCCCC2)cc1	ZINC000163747139	823745078	/nfs/dbraw/zinc/74/50/78/823745078.db2.gz	PVXRMXKARIFBRS-OAQYLSRUSA-N	2	2	393.575	4.360	20	10		GICDLP
C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2ccccc2c1O	ZINC000185063306	822731356	/nfs/dbraw/zinc/73/13/56/822731356.db2.gz	GGITUZVGFJGENB-SFHVURJKSA-N	2	2	376.500	4.228	20	10		GICDLP
CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(F)cc3O)CC2)cs1	ZINC000185423166	822781825	/nfs/dbraw/zinc/78/18/25/822781825.db2.gz	NUJXIUPHPZFXEB-CQSZACIVSA-N	2	2	377.529	4.113	20	10		GICDLP
CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cc3O)CC2)cs1	ZINC000185423144	822781758	/nfs/dbraw/zinc/78/17/58/822781758.db2.gz	NUJXIUPHPZFXEB-AWEZNQCLSA-N	2	2	377.529	4.113	20	10		GICDLP
Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(Cl)ccc3O)CC2)oc1C	ZINC000185430048	822782856	/nfs/dbraw/zinc/78/28/56/822782856.db2.gz	ZHCPLSRWDDNPGF-CQSZACIVSA-N	2	2	377.916	4.213	20	10		GICDLP