smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)[C@@H]1CCC[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC000001733781	563408254	/nfs/dbraw/zinc/40/82/54/563408254.db2.gz	ZODDUWYUOSRZLF-JKSUJKDBSA-N	2	1	331.891	4.953	40	0		EJABMP
c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCCC3)[C@H](c3ccccc3)C2)cc1	ZINC000072341601	563966424	/nfs/dbraw/zinc/96/64/24/563966424.db2.gz	NCIDXTBGDVKDPB-XZOQPEGZSA-N	2	1	334.507	4.577	40	0		EJABMP
c1ccc(C[NH+]2CC=C(C3=CC[N@@H+](Cc4ccccc4)CC3)CC2)cc1	ZINC000255190011	244048623	/nfs/dbraw/zinc/04/86/23/244048623.db2.gz	UJJHCFCHSDDFDF-UHFFFAOYSA-N	2	1	344.502	4.651	40	0		EJABMP
CC[NH+](CC)[C@H]1CCC[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC000001733778	563408321	/nfs/dbraw/zinc/40/83/21/563408321.db2.gz	ZODDUWYUOSRZLF-CVEARBPZSA-N	2	1	331.891	4.953	40	0		EJABMP
Cc1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)s1	ZINC000096051558	563978598	/nfs/dbraw/zinc/97/85/98/563978598.db2.gz	CLVODXIOFMVEAT-IBGZPJMESA-N	2	1	344.524	4.526	40	0		EJABMP
Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)s1	ZINC000096046529	563978033	/nfs/dbraw/zinc/97/80/33/563978033.db2.gz	PPYABOQHCWTMFW-UHFFFAOYSA-N	2	1	346.565	4.606	40	0		EJABMP
CC[NH+](CC)[C@H]1CCC[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC000001733780	563408281	/nfs/dbraw/zinc/40/82/81/563408281.db2.gz	ZODDUWYUOSRZLF-HOTGVXAUSA-N	2	1	331.891	4.953	40	0		EJABMP
c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCCC3)[C@H](c3ccccc3)C2)cc1	ZINC000072341600	563966394	/nfs/dbraw/zinc/96/63/94/563966394.db2.gz	NCIDXTBGDVKDPB-GOTSBHOMSA-N	2	1	334.507	4.577	40	0		EJABMP
CCOc1cccc2c(N[C@@H](C)CCC[NH+](CC)CC)c(C)c[nH+]c12	ZINC000001873676	563415231	/nfs/dbraw/zinc/41/52/31/563415231.db2.gz	TXPFYPNVDMETIO-KRWDZBQOSA-N	2	1	343.515	4.864	40	0		EJABMP
CC[NH+](CC)[C@@H]1CCC[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC000001733779	563408299	/nfs/dbraw/zinc/40/82/99/563408299.db2.gz	ZODDUWYUOSRZLF-HZPDHXFCSA-N	2	1	331.891	4.953	40	0		EJABMP
CC[NH+](CC)CCCNc1c2cccc(Cl)c2[nH+]c2c1CCCC2	ZINC000001677545	563402448	/nfs/dbraw/zinc/40/24/48/563402448.db2.gz	CAWAATSLZQGGGX-UHFFFAOYSA-N	2	1	345.918	4.911	40	0		EJABMP
Cc1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)s1	ZINC000096051559	563978595	/nfs/dbraw/zinc/97/85/95/563978595.db2.gz	CLVODXIOFMVEAT-LJQANCHMSA-N	2	1	344.524	4.526	40	0		EJABMP
Cc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)s1	ZINC000096058321	563978788	/nfs/dbraw/zinc/97/87/88/563978788.db2.gz	DYJOFEXQQHVOEM-ACRUOGEOSA-N	2	1	340.536	4.667	40	0		EJABMP
Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)s1	ZINC000096058321	563978789	/nfs/dbraw/zinc/97/87/89/563978789.db2.gz	DYJOFEXQQHVOEM-ACRUOGEOSA-N	2	1	340.536	4.667	40	0		EJABMP
Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)s1	ZINC000096058321	563978790	/nfs/dbraw/zinc/97/87/90/563978790.db2.gz	DYJOFEXQQHVOEM-ACRUOGEOSA-N	2	1	340.536	4.667	40	0		EJABMP
c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCCC3)[C@@H](c3ccccc3)C2)cc1	ZINC000012113179	564127848	/nfs/dbraw/zinc/12/78/48/564127848.db2.gz	NCIDXTBGDVKDPB-PKTZIBPZSA-N	2	1	334.507	4.577	40	0		EJABMP
CC[NH+](CC)C1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000001592047	563395130	/nfs/dbraw/zinc/39/51/30/563395130.db2.gz	JLAYDKVSQLVTNK-UHFFFAOYSA-N	2	1	331.891	4.953	40	0		EJABMP
CCOc1cccc2c(N[C@H](C)CCC[NH+](CC)CC)c(C)c[nH+]c12	ZINC000002042682	563419086	/nfs/dbraw/zinc/41/90/86/563419086.db2.gz	TXPFYPNVDMETIO-QGZVFWFLSA-N	2	1	343.515	4.864	40	0		EJABMP
c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCCC3)[C@@H](c3ccccc3)C2)cc1	ZINC000012113178	564127857	/nfs/dbraw/zinc/12/78/57/564127857.db2.gz	NCIDXTBGDVKDPB-DHIUTWEWSA-N	2	1	334.507	4.577	40	0		EJABMP