smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(NCC1CC[NH+](Cc2cccs2)CC1)=[NH+]C	ZINC000161530642	374159694	/nfs/dbraw/zinc/15/96/94/374159694.db2.gz	JCLLXAPVJKCPSI-UHFFFAOYSA-N	2	0	280.441	1.755	40	30		CDEBRP
NC(=[NH2+])NC(=[NH2+])N1CCC(Cc2ccccc2)CC1	ZINC000215533793	526826577	/nfs/dbraw/zinc/82/65/77/526826577.db2.gz	MBNQLNTYLIJOOX-UHFFFAOYSA-N	2	0	259.357	1.149	40	30		CDEBRP
CNC(NCC[C@H](C)[N@H+](C)Cc1ccccc1)=[NH+]C	ZINC000081795438	362214062	/nfs/dbraw/zinc/21/40/62/362214062.db2.gz	OZRKLIOMPXLRMX-ZDUSSCGKSA-N	2	0	262.401	1.692	40	30		CDEBRP
C([C@@H]1CO1)[NH+]1CCC(C2CC[NH+](C[C@H]3CO3)CC2)CC1	ZINC000004726470	170006547	/nfs/dbraw/zinc/00/65/47/170006547.db2.gz	SNYUHPPZINRDSG-IYBDPMFKSA-N	2	0	280.412	1.208	40	30	in-man	CDEBRP
[NH2+]=C(NCc1ccccc1)NC(=[NH2+])Nc1ccccc1	ZINC000095832101	348761508	/nfs/dbraw/zinc/76/15/08/348761508.db2.gz	FIERDZDUEHNUSA-UHFFFAOYSA-N	2	0	267.336	1.947	40	30		CDEBRP
CC1CCN(C(=[NH2+])NCCC[NH+]2CCCC2)CC1	ZINC000225529895	375158742	/nfs/dbraw/zinc/15/87/42/375158742.db2.gz	KNLWBCVVZGUUMC-UHFFFAOYSA-N	2	0	252.406	1.519	40	30		CDEBRP
NC(=[NH2+])NN=C(C[n+]1ccccc1)c1ccc(Cl)cc1	ZINC000017285091	356457854	/nfs/dbraw/zinc/45/78/54/356457854.db2.gz	PFIPCIONADZGEM-QGOAFFKASA-N	2	0	288.762	1.305	40	30		CDEBRP
NC(=[NH2+])Nc1ccc(Cc2ccc(NC(N)=[NH2+])cc2)cc1	ZINC000005841000	170145890	/nfs/dbraw/zinc/14/58/90/170145890.db2.gz	VPFQDYYIEBRWAW-UHFFFAOYSA-N	2	0	282.351	1.488	40	30		CDEBRP
N#Cc1csc(CNCCC[NH+]2CCC(O)CC2)c1	ZINC000304680445	374075447	/nfs/dbraw/zinc/07/54/47/374075447.db2.gz	ZAIDBWOCZDUWCT-UHFFFAOYSA-N	2	0	279.409	1.556	40	30		CDEBRP
C([C@H]1CO1)[NH+]1CCC(C2CC[NH+](C[C@H]3CO3)CC2)CC1	ZINC000004213127	358576449	/nfs/dbraw/zinc/57/64/49/358576449.db2.gz	SNYUHPPZINRDSG-HOTGVXAUSA-N	2	0	280.412	1.208	40	30	in-man	CDEBRP
[NH2+]=C(NC(=[NH2+])NC1CCCCC1)NC1CCCCC1	ZINC000203786993	367118414	/nfs/dbraw/zinc/11/84/14/367118414.db2.gz	ZDDZEGDQHYIYNA-UHFFFAOYSA-N	2	0	265.405	1.871	40	30		CDEBRP
C=CCNC(=[NH2+])SCCSC(=[NH2+])NCC=C	ZINC000001665849	355945069	/nfs/dbraw/zinc/94/50/69/355945069.db2.gz	JZPKKYCNXKFMBW-UHFFFAOYSA-N	2	0	258.416	1.664	40	30		CDEBRP
CC(C)[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCCCCC1	ZINC000170910319	342448588	/nfs/dbraw/zinc/44/85/88/342448588.db2.gz	NZSUAJIOMMHFAV-ZDUSSCGKSA-N	2	0	254.422	1.763	40	30		CDEBRP
C[N+]1(CCNC(=[NH2+])C2CCCCC2)CCOCC1	ZINC000006068255	170173579	/nfs/dbraw/zinc/17/35/79/170173579.db2.gz	ZINCEZPTORLJIT-UHFFFAOYSA-N	2	0	254.398	1.401	40	30		CDEBRP
CNC(NCC[C@@H](C)[N@H+](C)Cc1ccccc1)=[NH+]C	ZINC000081795443	362214019	/nfs/dbraw/zinc/21/40/19/362214019.db2.gz	OZRKLIOMPXLRMX-CYBMUJFWSA-N	2	0	262.401	1.692	40	30		CDEBRP
C=C(C[n+]1ccc(N(C)C)cc1)[n+]1ccc(N(C)C)cc1	ZINC000005342441	1164020298	/nfs/dbraw/zinc/02/02/98/1164020298.db2.gz	CGPRXRKODGKMCC-UHFFFAOYSA-N	2	0	284.407	1.565	40	30		CDEBRP
C[N+](C)(C)C[C@@H]1CCC[C@@H](C[N+](C)(C)C)C1=NO	ZINC000005887995	170150297	/nfs/dbraw/zinc/15/02/97/170150297.db2.gz	NGCMLQXHHINWKG-STQMWFEESA-O	2	0	257.422	1.645	40	30		CDEBRP
C=CCOc1ccc(C[NH2+]CCC[NH2+]C)cc1OC	ZINC000008377031	170333776	/nfs/dbraw/zinc/33/37/76/170333776.db2.gz	NVQPUDSXBYZKBZ-UHFFFAOYSA-N	2	0	264.369	1.959	40	30		CDEBRP
C[C@H]1CCC[C@@H](C(=O)OCC[N+](C)(C)C)[N+]1(C)C	ZINC000001999354	290470546	/nfs/dbraw/zinc/47/05/46/290470546.db2.gz	ZRPJBDLMSFSJJW-STQMWFEESA-N	2	0	258.406	1.253	40	30	in-man	CDEBRP
C[N+](C)(C)C[C@H]1CCC[C@@H](C[N+](C)(C)C)C1=NO	ZINC000016953382	356449422	/nfs/dbraw/zinc/44/94/22/356449422.db2.gz	NGCMLQXHHINWKG-BETUJISGSA-O	2	0	257.422	1.645	40	30		CDEBRP
NC(=[NH2+])c1ccc(C#Cc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000001568061	283262308	/nfs/dbraw/zinc/26/23/08/283262308.db2.gz	ZSSLEQNFIARDLQ-UHFFFAOYSA-N	2	0	262.316	1.655	40	30		CDEBRP
[NH2+]=C(NCc1ccccc1)NC(=[NH2+])NCc1ccccc1	ZINC000203794228	367118404	/nfs/dbraw/zinc/11/84/04/367118404.db2.gz	RYLLSELCGJDEMW-UHFFFAOYSA-N	2	0	281.363	1.606	40	30		CDEBRP
C[NH+](C)CCC(=O)C(=Cc1ccco1)C(=O)CC[NH+](C)C	ZINC000001585820	390139873	/nfs/dbraw/zinc/13/98/73/390139873.db2.gz	VMAUTNURCFPRBE-UHFFFAOYSA-N	2	0	292.379	1.705	40	30		CDEBRP
CN(C)C=[NH+]C1CCC[N+]1=CC(=O)c1ccccc1	ZINC000226822767	375400824	/nfs/dbraw/zinc/40/08/24/375400824.db2.gz	QOVJZDISDWWESN-UHFFFAOYSA-N	2	0	258.345	1.664	40	30		CDEBRP
C[N+](C)(C)C[C@H]1CCC[C@H](C[N+](C)(C)C)C1=NO	ZINC000005887991	170150512	/nfs/dbraw/zinc/15/05/12/170150512.db2.gz	NGCMLQXHHINWKG-CHWSQXEVSA-O	2	0	257.422	1.645	40	30		CDEBRP
C[C@@H]1CCC[C@@H](C(=O)OCC[N+](C)(C)C)[N+]1(C)C	ZINC000001999355	355957007	/nfs/dbraw/zinc/95/70/07/355957007.db2.gz	ZRPJBDLMSFSJJW-OLZOCXBDSA-N	2	0	258.406	1.253	40	30	in-man	CDEBRP
NC(=[NH2+])NN=C(C[n+]1ccccc1)c1ccc(Cl)cc1	ZINC000016970196	356450483	/nfs/dbraw/zinc/45/04/83/356450483.db2.gz	PFIPCIONADZGEM-AQTBWJFISA-N	2	0	288.762	1.305	40	30		CDEBRP
CC1=CC(=O)Cc2cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])ccc21	ZINC000002569725	341991754	/nfs/dbraw/zinc/99/17/54/341991754.db2.gz	GWVXGHBXSCPKDT-HNNXBMFYSA-N	2	0	287.363	1.220	40	30		CDEBRP
C([C@@H]1CO1)[NH+]1CCC(C2CC[NH+](C[C@@H]3CO3)CC2)CC1	ZINC000001481837	362528854	/nfs/dbraw/zinc/52/88/54/362528854.db2.gz	SNYUHPPZINRDSG-HZPDHXFCSA-N	2	0	280.412	1.208	40	30	in-man	CDEBRP
CCCCOc1ccc(CCN(C)C(=[NH2+])NC(N)=[NH2+])cc1	ZINC000016844183	1165648329	/nfs/dbraw/zinc/64/83/29/1165648329.db2.gz	PFKMSWWKDPZLHL-UHFFFAOYSA-N	2	0	291.399	1.548	40	30		CDEBRP
C[S+](C)CCOC(=O)C([N+]#N)c1ccc([N+](=O)[O-])cc1	ZINC000016953152	538218986	/nfs/dbraw/zinc/21/89/86/538218986.db2.gz	QPBCREBEMJTEIP-UHFFFAOYSA-N	2	0	296.328	1.035	40	30		CDEBRP
C[C@H]1CCC[C@H](C(=O)OCC[N+](C)(C)C)[N+]1(C)C	ZINC000001999356	290489826	/nfs/dbraw/zinc/48/98/26/290489826.db2.gz	ZRPJBDLMSFSJJW-QWHCGFSZSA-N	2	0	258.406	1.253	40	30	in-man	CDEBRP
C[C@@H]1CCC[C@H](C(=O)OCC[N+](C)(C)C)[N+]1(C)C	ZINC000001999357	287433724	/nfs/dbraw/zinc/43/37/24/287433724.db2.gz	ZRPJBDLMSFSJJW-CHWSQXEVSA-N	2	0	258.406	1.253	40	30	in-man	CDEBRP
CC(C)[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCCCCC1	ZINC000170910317	342448743	/nfs/dbraw/zinc/44/87/43/342448743.db2.gz	NZSUAJIOMMHFAV-CYBMUJFWSA-N	2	0	254.422	1.763	40	30		CDEBRP
NC(=[NH2+])NC(=[NH2+])Nc1ccc(-c2ccccc2)cc1	ZINC000001681325	364406617	/nfs/dbraw/zinc/40/66/17/364406617.db2.gz	OQDMEBNIFZCTJC-UHFFFAOYSA-N	2	0	253.309	1.783	40	30		CDEBRP
NC(=[NH2+])c1ccc(NC(=[NH2+])Nc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000005933192	170157318	/nfs/dbraw/zinc/15/73/18/170157318.db2.gz	GNCFBELKTZXQJO-UHFFFAOYSA-N	3	0	295.350	1.313	40	30		CDEBRP