smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[n+]1c(C)cc(C=C2Sc3ccccc3N2C)cc1C	ZINC000005523878	210481241	/nfs/dbraw/zinc/48/12/41/210481241.db2.gz	FMNXWYJINZMDCO-AWEZNQCLSA-N	1	0	325.501	5.031	10	10		EKCERO
Oc1ccc(-c2ccccc2)cc1[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000005685153	210516718	/nfs/dbraw/zinc/51/67/18/210516718.db2.gz	MTKFJOWRWHBPET-XMMPIXPASA-N	1	0	343.470	5.635	10	10		EKCERO
CC[C@@H](C)[n+]1c(C)cc(C=C2Sc3ccccc3N2C)cc1C	ZINC000006570326	210656195	/nfs/dbraw/zinc/65/61/95/210656195.db2.gz	FMNXWYJINZMDCO-CQSZACIVSA-N	1	0	325.501	5.031	10	10		EKCERO
CCN1C=CC=C/C1=C\c1cc(C)c2ccc3ccccc3c2[n+]1CC	ZINC000020191039	202034858	/nfs/dbraw/zinc/03/48/58/202034858.db2.gz	OGJFSZIOILWPIR-UHFFFAOYSA-N	1	0	341.478	5.355	10	10		EKCERO
CCN1C=C/C(=C\c2ccc3c4ccccc4ccc3[n+]2CC)C=C1C	ZINC000020191043	202035739	/nfs/dbraw/zinc/03/57/39/202035739.db2.gz	GIOUIXJENLEFRW-UHFFFAOYSA-N	1	0	341.478	5.437	10	10		EKCERO
CCN1C=CC=C/C1=C\c1c2ccc3ccccc3c2cc[n+]1CC	ZINC000020191058	212110172	/nfs/dbraw/zinc/11/01/72/212110172.db2.gz	PGIXXOISIQMIPJ-UHFFFAOYSA-N	1	0	327.451	5.047	10	10		EKCERO
CC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1cc(Br)ccc1O	ZINC000020560914	212147948	/nfs/dbraw/zinc/14/79/48/212147948.db2.gz	LLGVZFSYDUBLBV-SWLSCSKDSA-N	1	0	328.294	5.020	10	10		EKCERO
CC[C@H]([NH2+][C@@H](C)CCC(C)C)c1cc(Br)ccc1O	ZINC000020560917	212147463	/nfs/dbraw/zinc/14/74/63/212147463.db2.gz	LLGVZFSYDUBLBV-WFASDCNBSA-N	1	0	328.294	5.020	10	10		EKCERO
CC[C@@H]([NH2+][C@H](C)CCC(C)C)c1cc(Br)ccc1O	ZINC000020560920	212148163	/nfs/dbraw/zinc/14/81/63/212148163.db2.gz	LLGVZFSYDUBLBV-IUODEOHRSA-N	1	0	328.294	5.020	10	10		EKCERO
CC[C@H]([NH2+][C@H](C)CCC(C)C)c1cc(Br)ccc1O	ZINC000020560923	212147454	/nfs/dbraw/zinc/14/74/54/212147454.db2.gz	LLGVZFSYDUBLBV-DOMZBBRYSA-N	1	0	328.294	5.020	10	10		EKCERO
C[N+](C)(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21	ZINC000033745558	717121389	/nfs/dbraw/zinc/12/13/89/717121389.db2.gz	MEGKGFLRLJLXDL-OVCLIPMQSA-N	1	0	330.904	5.333	10	10		EKCERO
CC[N+](C)(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21	ZINC000033891101	717123601	/nfs/dbraw/zinc/12/36/01/717123601.db2.gz	SILHECPPOKQRBA-CXUHLZMHSA-N	1	0	344.931	5.723	10	10		EKCERO
CNc1ccc(Nc2c3ccccc3[nH+]c3cc(Cl)ccc32)cc1	ZINC000040848719	213393653	/nfs/dbraw/zinc/39/36/53/213393653.db2.gz	HEIPHLNOBNZDAP-UHFFFAOYSA-N	1	0	333.822	5.827	10	10		EKCERO
CN(C)c1ccc(Nc2c3ccccc3[nH+]c3cc(Cl)ccc32)cc1	ZINC000040860403	213394389	/nfs/dbraw/zinc/39/43/89/213394389.db2.gz	WYBWVNHXJFKPTG-UHFFFAOYSA-N	1	0	347.849	5.851	10	10		EKCERO
CCCCOc1ccc(N[N+](=O)c2ccc(OCCCC)cc2)cc1	ZINC000100010494	219088261	/nfs/dbraw/zinc/08/82/61/219088261.db2.gz	DWRXFZDFCLDVQG-QURGRASLSA-N	1	0	342.439	5.970	10	10		EKCERO
CCC(CC)[C@@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1O	ZINC000104446995	206492967	/nfs/dbraw/zinc/49/29/67/206492967.db2.gz	DUDPQYJRMAQEQA-ABAIWWIYSA-N	1	0	328.294	5.020	10	10		EKCERO
CCC(CC)[C@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1O	ZINC000104446999	219387592	/nfs/dbraw/zinc/38/75/92/219387592.db2.gz	DUDPQYJRMAQEQA-NHYWBVRUSA-N	1	0	328.294	5.020	10	10		EKCERO
CCC(CC)[C@@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1O	ZINC000104447001	206493537	/nfs/dbraw/zinc/49/35/37/206493537.db2.gz	DUDPQYJRMAQEQA-IAQYHMDHSA-N	1	0	328.294	5.020	10	10		EKCERO
CCC(CC)[C@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1O	ZINC000104447004	219387442	/nfs/dbraw/zinc/38/74/42/219387442.db2.gz	DUDPQYJRMAQEQA-XHDPSFHLSA-N	1	0	328.294	5.020	10	10		EKCERO
CC1=CC(=NNc2ccc(Cl)cc2)C=C(C[NH+]2CCCC2)C1=O	ZINC000253995012	244041536	/nfs/dbraw/zinc/04/15/36/244041536.db2.gz	JFQASHVZFSYYCB-UHFFFAOYSA-N	1	0	329.831	5.365	10	10		EKCERO