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+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261962335	743188702	/nfs/dbraw/zinc/18/87/02/743188702.db2.gz	KOKXRKDZPRWPQC-USXIJHARSA-N	2	3	336.528	0.270	20	30		ECEDHP
CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000261962335	743188706	/nfs/dbraw/zinc/18/87/06/743188706.db2.gz	KOKXRKDZPRWPQC-USXIJHARSA-N	2	3	336.528	0.270	20	30		ECEDHP
C#CCN(C)CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000875622549	590316463	/nfs/dbraw/zinc/31/64/63/590316463.db2.gz	KBZWCNMACGMQEF-IAGOWNOFSA-N	2	3	337.512	0.322	20	30		ECEDHP
CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261962329	743188761	/nfs/dbraw/zinc/18/87/61/743188761.db2.gz	KOKXRKDZPRWPQC-DJIMGWMZSA-N	2	3	336.528	0.270	20	30		ECEDHP
CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000261962329	743188763	/nfs/dbraw/zinc/18/87/63/743188763.db2.gz	KOKXRKDZPRWPQC-DJIMGWMZSA-N	2	3	336.528	0.270	20	30		ECEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1	ZINC000270574326	436674672	/nfs/dbraw/zinc/67/46/72/436674672.db2.gz	OECQKLRUMMUDPS-INIZCTEOSA-N	2	3	348.495	0.911	20	30		ECEDHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CC2(C1)CNC[C@H]2C#N	ZINC000884305229	590799948	/nfs/dbraw/zinc/79/99/48/590799948.db2.gz	OXSVOSBZWKXVID-TVRKMHQQSA-N	2	3	349.523	0.858	20	30		ECEDHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CC2(C1)CNC[C@@H]2C#N	ZINC000884305228	590799930	/nfs/dbraw/zinc/79/99/30/590799930.db2.gz	OXSVOSBZWKXVID-HFCFLWKCSA-N	2	3	349.523	0.858	20	30		ECEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1	ZINC000270574327	436674806	/nfs/dbraw/zinc/67/48/06/436674806.db2.gz	OECQKLRUMMUDPS-MRXNPFEDSA-N	2	3	348.495	0.911	20	30		ECEDHP
C[NH+]1CC[C@@H]2CN(CC#CCN3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1	ZINC000931435850	611541817	/nfs/dbraw/zinc/54/18/17/611541817.db2.gz	HOZPEHYYXPNRPQ-JVSBHGNQSA-N	2	3	330.520	0.757	20	30		ECEDHP
C[NH+]1CC[C@@H]2CN(CC#CCN3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1	ZINC000931435850	611541819	/nfs/dbraw/zinc/54/18/19/611541819.db2.gz	HOZPEHYYXPNRPQ-JVSBHGNQSA-N	2	3	330.520	0.757	20	30		ECEDHP
C[NH+]1CC[C@H]2CN(CC#CCN3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C[C@H]2C1	ZINC000931435850	611541821	/nfs/dbraw/zinc/54/18/21/611541821.db2.gz	HOZPEHYYXPNRPQ-JVSBHGNQSA-N	2	3	330.520	0.757	20	30		ECEDHP
C[NH+]1CC[C@H]2CN(CC#CCN3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C[C@H]2C1	ZINC000931435850	611541823	/nfs/dbraw/zinc/54/18/23/611541823.db2.gz	HOZPEHYYXPNRPQ-JVSBHGNQSA-N	2	3	330.520	0.757	20	30		ECEDHP