smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N+]1(CCCC)CCN(c2ccc(OC)cc2)CC1	ZINC000066075638	717132704	/nfs/dbraw/zinc/13/27/04/717132704.db2.gz	RVQAEMQQGMTGDA-UHFFFAOYSA-N	1	0	305.486	3.932	1	10		DHCFRO
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCO)c2c1	ZINC000004427553	181109201	/nfs/dbraw/zinc/10/92/01/181109201.db2.gz	SKLTYFULQBSOSK-UHFFFAOYSA-N	1	0	316.788	3.844	1	10		DHCFRO
COc1cccc2c(-c3ccc(O)c4c3CC[NH2+]C4)ccc(O)c12	ZINC000064453848	184297671	/nfs/dbraw/zinc/29/76/71/184297671.db2.gz	JFAMKXXVQMYAKF-UHFFFAOYSA-N	1	0	321.376	3.572	1	10		DHCFRO
C[n+]1c(/C=C/c2c[nH]c3ccccc23)cc(N)c2ccccc21	ZINC000096910889	185391082	/nfs/dbraw/zinc/39/10/82/185391082.db2.gz	RQNKQWXJUNBHII-UHFFFAOYSA-O	1	0	300.385	3.898	1	10		DHCFRO
COc1cc(C)cc(C[N@H+]2CC=C(c3ccccc3)CC2)c1O	ZINC000006077397	181310419	/nfs/dbraw/zinc/31/04/19/181310419.db2.gz	FUDLNKZLVWDZKX-UHFFFAOYSA-N	1	0	309.409	3.999	3	10		DHCFRO
CCC[N@@H+]1CCc2cc(F)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	ZINC000014953323	560227771	/nfs/dbraw/zinc/22/77/71/560227771.db2.gz	TVIUJNLDORXPPC-HNNXBMFYSA-N	1	0	313.372	3.769	1	10	in-vitro	DHCFRO
COc1cccc2c(NC[C@@H]3CCCO3)c3ccccc3[nH+]c12	ZINC000045260737	183492240	/nfs/dbraw/zinc/49/22/40/183492240.db2.gz	XEKUGLCGONWFBJ-ZDUSSCGKSA-N	1	0	308.381	3.988	1	10		DHCFRO
C(=C/c1ccnc2ccccc12)\c1ccc(N2CC[NH2+]CC2)cc1	ZINC000072137582	191048633	/nfs/dbraw/zinc/04/86/33/191048633.db2.gz	MBRHTVLRMGLEAP-VMPITWQZSA-N	1	0	315.420	3.815	1	10		DHCFRO
CCC[N@H+](CCc1ccc(N)cc1)[C@@H]1CCc2c(O)cccc2C1	ZINC000013446566	181851621	/nfs/dbraw/zinc/85/16/21/181851621.db2.gz	SPMVURQMVHUPOT-LJQANCHMSA-N	1	0	324.468	3.786	1	10		DHCFRO
CCCC(=O)OCc1ccc2[nH+]c3ccc(OC)cc3c(N)c2c1	ZINC000058576070	184122919	/nfs/dbraw/zinc/12/29/19/184122919.db2.gz	JBTSXFSTLWACAY-UHFFFAOYSA-N	1	0	324.380	3.822	1	10		DHCFRO
CCC[N@@H+]1CCc2cc(C)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000043014509	183328025	/nfs/dbraw/zinc/32/80/25/183328025.db2.gz	IQXHLUBOFQZZLM-MRXNPFEDSA-N	1	0	309.409	3.939	1	10	in-vivo	DHCFRO
c1cc(N2CCCCC2)ccc1OCCC[NH+]1CCCCC1	ZINC000072179514	191072787	/nfs/dbraw/zinc/07/27/87/191072787.db2.gz	UBMOUNGQOGVEEQ-UHFFFAOYSA-N	1	0	302.462	3.932	1	10		DHCFRO
Cc1ccc([C@H]2C[NH2+][C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)cc1	ZINC000095565819	185380188	/nfs/dbraw/zinc/38/01/88/185380188.db2.gz	BFVQTKZRCBZOSI-KBAYOESNSA-N	1	0	309.409	3.582	1	10		DHCFRO
CN1c2ccccc2O/C1=C\C=C\c1oc2ccccc2[n+]1C	ZINC000001500968	180869988	/nfs/dbraw/zinc/86/99/88/180869988.db2.gz	XLKQLIAYDLMVLG-UHFFFAOYSA-N	1	0	305.357	3.641	1	10		DHCFRO
CCCC[C@@H]1Cc2cc(O)ccc2-c2n(C)c3ccc(O)cc3[n+]21	ZINC000005838350	181288665	/nfs/dbraw/zinc/28/86/65/181288665.db2.gz	DOIVZAAKZIBBPB-CQSZACIVSA-O	1	0	323.416	3.831	1	10		DHCFRO
CCCC[C@H]1Cc2cc(O)ccc2-c2n(C)c3ccc(O)cc3[n+]21	ZINC000005838441	181288687	/nfs/dbraw/zinc/28/86/87/181288687.db2.gz	DOIVZAAKZIBBPB-AWEZNQCLSA-O	1	0	323.416	3.831	1	10		DHCFRO
[NH3+]CCCN1c2cc(Cl)ccc2Sc2cc(O)c(O)cc21	ZINC000005162060	560201075	/nfs/dbraw/zinc/20/10/75/560201075.db2.gz	DGBZHMALEIDADV-UHFFFAOYSA-N	1	0	322.817	3.703	3	10	in-vitro	DHCFRO
COc1ccc2[nH+]c3ccccc3c(NC[C@@H]3CCCO3)c2c1	ZINC000045318906	183497824	/nfs/dbraw/zinc/49/78/24/183497824.db2.gz	ZUWQXXNGQCIRGT-AWEZNQCLSA-N	1	0	308.381	3.988	1	10		DHCFRO
NC(=[NH2+])c1ccc(NN=C2c3ccc(O)cc3C=CC2=O)cc1	ZINC000005518720	181252599	/nfs/dbraw/zinc/25/25/99/181252599.db2.gz	DZPCPDXVMGRYJN-QZQOTICOSA-N	1	0	306.325	3.950	1	10		DHCFRO
CCCc1cc2c(s1)C[NH2+][C@H]1CCc3cc(O)c(O)cc3[C@H]21	ZINC000001539970	180872662	/nfs/dbraw/zinc/87/26/62/180872662.db2.gz	REHAKLRYABHSQJ-KBXCAEBGSA-N	1	0	315.438	3.662	1	10		DHCFRO