smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@H](Cc2ccccc2)[NH2+]Cc2ccccc2)c1[O-]	ZINC000031923725	202213688	/nfs/dbraw/zinc/21/36/88/202213688.db2.gz	DREJHPHFNSAAHL-FQEVSTJZSA-N	0	3	333.431	4.474	40	10		EICBHN
COc1cccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccccc2)c1[O-]	ZINC000031923723	202213317	/nfs/dbraw/zinc/21/33/17/202213317.db2.gz	DREJHPHFNSAAHL-HXUWFJFHSA-N	0	3	333.431	4.474	40	10		EICBHN
Cc1ccc([O-])c(C[N@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)c1	ZINC000036740229	202331213	/nfs/dbraw/zinc/33/12/13/202331213.db2.gz	NTOKJWFWFNELKB-LJQANCHMSA-N	0	3	339.483	4.146	40	10		EICBHN
Cc1ccc([O-])c(C[N@@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)c1	ZINC000036740229	202331216	/nfs/dbraw/zinc/33/12/16/202331216.db2.gz	NTOKJWFWFNELKB-LJQANCHMSA-N	0	3	339.483	4.146	40	10		EICBHN
Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1)N1CCCCC1)OCO2	ZINC000006512626	563570899	/nfs/dbraw/zinc/57/08/99/563570899.db2.gz	KDSLFUPFGAIYOZ-IBGZPJMESA-N	0	3	345.826	4.350	40	10		EICBHN
Cc1ccc([O-])c(C[N@H+](CCCn2ccnc2)Cc2ccccc2C)c1	ZINC000036740163	213115031	/nfs/dbraw/zinc/11/50/31/213115031.db2.gz	KWVAHXQYCJVZAF-UHFFFAOYSA-N	0	3	349.478	4.298	40	10		EICBHN
Cc1ccc([O-])c(C[N@@H+](CCCn2ccnc2)Cc2ccccc2C)c1	ZINC000036740163	213115034	/nfs/dbraw/zinc/11/50/34/213115034.db2.gz	KWVAHXQYCJVZAF-UHFFFAOYSA-N	0	3	349.478	4.298	40	10		EICBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000104345672	219376297	/nfs/dbraw/zinc/37/62/97/219376297.db2.gz	ADUOESXTMZGRDJ-MRCUWXFGSA-N	0	3	341.411	4.306	40	10		EICBHN
C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc([O-])c(C[NH+]3CCCC3)cc1OC2(C)C	ZINC000257248878	244263264	/nfs/dbraw/zinc/26/32/64/244263264.db2.gz	JFQQLNUTZJZPOQ-NRXGSXMXSA-N	0	3	331.456	4.015	40	10		EICBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000004769351	563510841	/nfs/dbraw/zinc/51/08/41/563510841.db2.gz	ADUOESXTMZGRDJ-QZQOTICOSA-N	0	3	341.411	4.306	40	10		EICBHN
Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2[O-])s1	ZINC000043277866	563925654	/nfs/dbraw/zinc/92/56/54/563925654.db2.gz	JZUHOEVAXUHDMJ-UHFFFAOYSA-N	0	3	341.480	4.051	40	10		EICBHN
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccccc2[O-])s1	ZINC000043277866	563925655	/nfs/dbraw/zinc/92/56/55/563925655.db2.gz	JZUHOEVAXUHDMJ-UHFFFAOYSA-N	0	3	341.480	4.051	40	10		EICBHN
Cc1ccc([O-])c(C[N@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)c1	ZINC000036740228	213114156	/nfs/dbraw/zinc/11/41/56/213114156.db2.gz	NTOKJWFWFNELKB-IBGZPJMESA-N	0	3	339.483	4.146	40	10		EICBHN
Cc1ccc([O-])c(C[N@@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)c1	ZINC000036740228	213114158	/nfs/dbraw/zinc/11/41/58/213114158.db2.gz	NTOKJWFWFNELKB-IBGZPJMESA-N	0	3	339.483	4.146	40	10		EICBHN
Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)N1CCCCC1)OCO2	ZINC000001587172	563394708	/nfs/dbraw/zinc/39/47/08/563394708.db2.gz	KDSLFUPFGAIYOZ-LJQANCHMSA-N	0	3	345.826	4.350	40	10		EICBHN
CN1CCN(Cc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)CC1	ZINC000019366600	212022783	/nfs/dbraw/zinc/02/27/83/212022783.db2.gz	FYSNJHLSYKTLAB-UHFFFAOYSA-N	0	3	338.495	4.104	40	10		EICBHN
CCN(CC)c1ccc(CN(CCO)Cc2ccc(Cl)cc2)cc1	ZINC000001671990	563401660	/nfs/dbraw/zinc/40/16/60/563401660.db2.gz	OJXIDQSROUSXRW-UHFFFAOYSA-N	0	3	346.902	4.181	40	10		EICBHN