smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nccc(N3CCC(CC[NH2+]Cc4ccc5c(n4)NC(=O)CO5)CC3)c2c1	ZINC000006716189	562948230	/nfs/dbraw/zinc/94/82/30/562948230.db2.gz	DWWDQFMFFCHXAK-UHFFFAOYSA-N	1	3	447.539	3.366	1	0		IGAFHO
COc1ccc(CNC2CC[NH+](C)CC2)cc1-c1ccc(S(=O)(=O)NC2CCC2)cc1	ZINC000045302263	563129373	/nfs/dbraw/zinc/12/93/73/563129373.db2.gz	DCGNZGSXQLIKNC-UHFFFAOYSA-N	1	3	443.613	3.377	1	0		IGAFHO
C[NH2+]C[C@@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000022939252	563026678	/nfs/dbraw/zinc/02/66/78/563026678.db2.gz	QWIGHXLBCAYGOR-SANMLTNESA-N	1	3	443.599	3.260	1	0		IGAFHO
Cc1ccc(CCN(CCC(=O)Nc2cnc3ccccc3c2)C(=O)[C@H](N)CCC[NH3+])cc1	ZINC000013587006	562995515	/nfs/dbraw/zinc/99/55/15/562995515.db2.gz	RSGISRLYKJQCON-HSZRJFAPSA-N	1	3	447.583	3.009	1	0		IGAFHO
CN(C(=O)[C@H](N)CCC[NH3+])[C@@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1	ZINC000073224689	563171071	/nfs/dbraw/zinc/17/10/71/563171071.db2.gz	PHQBPGSGLRRVOQ-RPWUZVMVSA-N	1	3	432.568	3.304	1	0		IGAFHO
C[NH2+]C[C@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000022939249	563026676	/nfs/dbraw/zinc/02/66/76/563026676.db2.gz	QWIGHXLBCAYGOR-AREMUKBSSA-N	1	3	443.599	3.260	1	0		IGAFHO
CN(C(=O)[C@H](N)CCC[NH3+])[C@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1	ZINC000073224690	563171057	/nfs/dbraw/zinc/17/10/57/563171057.db2.gz	PHQBPGSGLRRVOQ-DNQXCXABSA-N	1	3	432.568	3.304	1	0		IGAFHO
Cc1cc(N)nc(CCc2cc(CCc3cc(C)cc(N)n3)cc(N3CC[NH2+]CC3)c2)c1	ZINC000095585778	563189045	/nfs/dbraw/zinc/18/90/45/563189045.db2.gz	VRUCVWIGIZZYJZ-UHFFFAOYSA-N	1	3	430.600	3.238	1	0		IGAFHO
CC(C)CNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]CC(C)C)ccc1-2	ZINC000096938164	563199752	/nfs/dbraw/zinc/19/97/52/563199752.db2.gz	LKKBQUJXWYZCDZ-UHFFFAOYSA-N	1	3	436.556	3.266	1	0		IGAFHO
[NH3+]CCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1	ZINC000038315918	563097408	/nfs/dbraw/zinc/09/74/08/563097408.db2.gz	LEUXVEFDUIWOPN-VWLOTQADSA-N	1	3	429.568	3.034	1	0		IGAFHO
CCN(CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000012712694	562982983	/nfs/dbraw/zinc/98/29/83/562982983.db2.gz	RZHKRQGSCJWMLC-VWLOTQADSA-N	1	3	434.584	3.203	3	0		IGAFHO
CCN(CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000012712694	562982984	/nfs/dbraw/zinc/98/29/84/562982984.db2.gz	RZHKRQGSCJWMLC-VWLOTQADSA-N	1	3	434.584	3.203	3	0		IGAFHO
[NH3+]Cc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1	ZINC000001493955	562922365	/nfs/dbraw/zinc/92/23/65/562922365.db2.gz	PBYSLXLVOFLVAY-UHFFFAOYSA-N	1	3	435.547	3.433	1	0		IGAFHO
COC(=O)CCCN1CCC(C[NH+]2CCC(Oc3ccc(CO)c(Cl)c3)CC2)CC1	ZINC000029132902	563075803	/nfs/dbraw/zinc/07/58/03/563075803.db2.gz	PEGDQHRHFLHPBP-UHFFFAOYSA-N	1	3	438.996	3.341	1	0		IGAFHO
O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](C[NH2+]Cc5ccccc5)C4)c3c2)CO1	ZINC000027761021	563046928	/nfs/dbraw/zinc/04/69/28/563046928.db2.gz	DZFRWAZJFQMVAM-GMAHTHKFSA-N	1	3	432.568	3.473	1	0		IGAFHO
CCN(CCn1cccn1)Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000012712698	562983018	/nfs/dbraw/zinc/98/30/18/562983018.db2.gz	RZHKRQGSCJWMLC-RUZDIDTESA-N	1	3	434.584	3.203	3	0		IGAFHO
CCN(CCn1cccn1)Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000012712698	562983019	/nfs/dbraw/zinc/98/30/19/562983019.db2.gz	RZHKRQGSCJWMLC-RUZDIDTESA-N	1	3	434.584	3.203	3	0		IGAFHO
Cn1ccc2c1cc[nH+]c2N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1	ZINC000034186868	563085747	/nfs/dbraw/zinc/08/57/47/563085747.db2.gz	ORDSVYXFMRRIFU-UHFFFAOYSA-N	1	3	441.601	3.484	1	0		IGAFHO
C[NH2+]C[C@H]1CC[C@@H]2C[C@@]34[C@@H](C[C@@]35CCC[C@H]5[C@H]2N1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]4O)[C@](C)(C2)C1	ZINC000085547424	291356315	/nfs/dbraw/zinc/35/63/15/291356315.db2.gz	XUSOODGIZUATTI-YKHCFIHCSA-N	1	3	426.645	3.237	1	0	biogenic,in-vitro	IGAFHO
COc1cc2nc(CC[NH2+]Cc3ccccc3)nc(NC3CCN(C)CC3)c2cc1OC	ZINC000036382574	563094044	/nfs/dbraw/zinc/09/40/44/563094044.db2.gz	JHEBBNFXKOVQOF-UHFFFAOYSA-N	1	3	435.572	3.485	1	0		IGAFHO
C[NH+](C)C1CCN(Cc2ccc(N3CCN(Cc4cccc5[nH]ccc54)CC3)nc2)CC1	ZINC000045201466	563124665	/nfs/dbraw/zinc/12/46/65/563124665.db2.gz	LSNLBGYBSAQEMH-UHFFFAOYSA-N	1	3	432.616	3.411	1	0		IGAFHO
[NH3+]Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5	ZINC000026665506	563035201	/nfs/dbraw/zinc/03/52/01/563035201.db2.gz	YPCHFWUHJRFFHL-NVSKSXHLSA-N	1	3	443.547	3.031	1	0		IGAFHO
[NH3+]CCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1	ZINC000022924629	563025761	/nfs/dbraw/zinc/02/57/61/563025761.db2.gz	QZPYDAAHESFSIR-SANMLTNESA-N	1	3	426.564	3.316	1	0		IGAFHO