smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1	ZINC000188421623	1073887649	/nfs/dbraw/zinc/88/76/49/1073887649.db2.gz	FXCQZRKQTUTQRF-SFHVURJKSA-N	1	2	376.501	-0.229	10	30		GBEELO
C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1	ZINC000188421623	1073887643	/nfs/dbraw/zinc/88/76/43/1073887643.db2.gz	FXCQZRKQTUTQRF-SFHVURJKSA-N	1	2	376.501	-0.229	10	30		GBEELO
C#CCNC(=O)CN1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1	ZINC000188421647	1073887975	/nfs/dbraw/zinc/88/79/75/1073887975.db2.gz	FXCQZRKQTUTQRF-GOSISDBHSA-N	1	2	376.501	-0.229	10	30		GBEELO
C#CCNC(=O)CN1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1	ZINC000188421647	1073887969	/nfs/dbraw/zinc/88/79/69/1073887969.db2.gz	FXCQZRKQTUTQRF-GOSISDBHSA-N	1	2	376.501	-0.229	10	30		GBEELO
CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1	ZINC000328867991	1073138778	/nfs/dbraw/zinc/13/87/78/1073138778.db2.gz	HEFHQPZPEAQKLL-CVEARBPZSA-N	1	2	381.477	-0.614	10	30		GBEELO
CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1	ZINC000328867991	1073138774	/nfs/dbraw/zinc/13/87/74/1073138774.db2.gz	HEFHQPZPEAQKLL-CVEARBPZSA-N	1	2	381.477	-0.614	10	30		GBEELO
CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1	ZINC000328867994	1073138705	/nfs/dbraw/zinc/13/87/05/1073138705.db2.gz	HEFHQPZPEAQKLL-HOTGVXAUSA-N	1	2	381.477	-0.614	10	30		GBEELO
CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1	ZINC000328867994	1073138699	/nfs/dbraw/zinc/13/86/99/1073138699.db2.gz	HEFHQPZPEAQKLL-HOTGVXAUSA-N	1	2	381.477	-0.614	10	30		GBEELO
C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000328944691	530209892	/nfs/dbraw/zinc/20/98/92/530209892.db2.gz	UWHJRHSRBWSHMF-KBPBESRZSA-N	1	2	375.495	-0.812	10	30		GBEELO
C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000328944692	530097663	/nfs/dbraw/zinc/09/76/63/530097663.db2.gz	UWHJRHSRBWSHMF-UONOGXRCSA-N	1	2	375.495	-0.812	10	30		GBEELO
C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21	ZINC000328998117	1073145813	/nfs/dbraw/zinc/14/58/13/1073145813.db2.gz	WVNSTJLJBPGNRN-CVEARBPZSA-N	1	2	392.460	-0.308	10	30		GBEELO
C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21	ZINC000328998117	1073145810	/nfs/dbraw/zinc/14/58/10/1073145810.db2.gz	WVNSTJLJBPGNRN-CVEARBPZSA-N	1	2	392.460	-0.308	10	30		GBEELO
C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@@H]21	ZINC000328998127	1073145780	/nfs/dbraw/zinc/14/57/80/1073145780.db2.gz	WVNSTJLJBPGNRN-HOTGVXAUSA-N	1	2	392.460	-0.308	10	30		GBEELO
C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@@H]21	ZINC000328998127	1073145778	/nfs/dbraw/zinc/14/57/78/1073145778.db2.gz	WVNSTJLJBPGNRN-HOTGVXAUSA-N	1	2	392.460	-0.308	10	30		GBEELO
C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21	ZINC000328998128	1073145672	/nfs/dbraw/zinc/14/56/72/1073145672.db2.gz	WVNSTJLJBPGNRN-HZPDHXFCSA-N	1	2	392.460	-0.308	10	30		GBEELO
C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21	ZINC000328998128	1073145667	/nfs/dbraw/zinc/14/56/67/1073145667.db2.gz	WVNSTJLJBPGNRN-HZPDHXFCSA-N	1	2	392.460	-0.308	10	30		GBEELO
C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@@H]21	ZINC000328998129	1073145786	/nfs/dbraw/zinc/14/57/86/1073145786.db2.gz	WVNSTJLJBPGNRN-JKSUJKDBSA-N	1	2	392.460	-0.308	10	30		GBEELO
C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@@H]21	ZINC000328998129	1073145784	/nfs/dbraw/zinc/14/57/84/1073145784.db2.gz	WVNSTJLJBPGNRN-JKSUJKDBSA-N	1	2	392.460	-0.308	10	30		GBEELO
Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]CCC(=O)N3CC[NH+](C)CC3)CCO2)c1	ZINC000329234944	1073356722	/nfs/dbraw/zinc/35/67/22/1073356722.db2.gz	IFERCMOMLAXNIM-INIZCTEOSA-N	1	2	378.477	-0.030	10	30		GBEELO
Cc1cnn(C[C@H]2CN(C([O-])=[NH+]CCC(=O)N3CC[NH+](C)CC3)CCO2)c1	ZINC000329234945	1073356740	/nfs/dbraw/zinc/35/67/40/1073356740.db2.gz	IFERCMOMLAXNIM-MRXNPFEDSA-N	1	2	378.477	-0.030	10	30		GBEELO
C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329514322	1073366610	/nfs/dbraw/zinc/36/66/10/1073366610.db2.gz	YEJZSYJCIFLMNL-HRCADAONSA-N	1	2	391.476	-0.240	10	30		GBEELO
C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329514324	1073366345	/nfs/dbraw/zinc/36/63/45/1073366345.db2.gz	YEJZSYJCIFLMNL-OWCLPIDISA-N	1	2	391.476	-0.240	10	30		GBEELO
C[C@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000330270817	530292767	/nfs/dbraw/zinc/29/27/67/530292767.db2.gz	UWHJRHSRBWSHMF-ZIAGYGMSSA-N	1	2	375.495	-0.812	10	30		GBEELO