smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=CC(=O)N1Cc1ccc[n+](CCC[n+]2cccc(CN3C(=O)C=CC3=O)c2)c1	ZINC000001703760	557281980	/nfs/dbraw/zinc/28/19/80/557281980.db2.gz	XJUSGJFSCGMKAD-UHFFFAOYSA-N	2	0	418.453	0.202	40	0		HCABRP
Cn1c[n+](NC(=O)c2ccc(-c3ccc(C(=O)N[n+]4cnn(C)c4)cc3)cc2)cn1	ZINC000006816941	557724875	/nfs/dbraw/zinc/72/48/75/557724875.db2.gz	IFMLFNKBDXWGRP-UHFFFAOYSA-P	2	0	404.434	0.163	40	0		HCABRP
C[NH2+]Cc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1	ZINC000008299188	291176397	/nfs/dbraw/zinc/17/63/97/291176397.db2.gz	NXWZZIOWACTGMS-JQHSSLGASA-N	2	0	412.494	0.753	40	0	biogenic,in-vitro	HCABRP
N=C(NC(N)=[NH2+])Nc1ccc(S(=O)(=O)c2ccc(NC(=N)NC(N)=[NH2+])cc2)cc1	ZINC000008614394	558263175	/nfs/dbraw/zinc/26/31/75/558263175.db2.gz	DGAIEPXQRXDOIW-UHFFFAOYSA-N	2	0	416.471	0.179	40	0		HCABRP
N=C(NC(N)=[NH2+])Nc1cccc(S(=O)(=O)c2cccc(NC(=N)NC(N)=[NH2+])c2)c1	ZINC000008614395	557796809	/nfs/dbraw/zinc/79/68/09/557796809.db2.gz	ZQNXAGNMXXYNBT-UHFFFAOYSA-N	2	0	416.471	0.179	40	0		HCABRP
O[C@@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCO2)cc1	ZINC000012139827	560778271	/nfs/dbraw/zinc/77/82/71/560778271.db2.gz	CZSCCJSCVPNPNR-GPHNJDIKSA-N	2	0	424.538	0.703	40	0		HCABRP
CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CC[NH+](C)CC3)C2=O)cc1	ZINC000020168816	558343316	/nfs/dbraw/zinc/34/33/16/558343316.db2.gz	XMCVJUIVOWMGJU-SFHVURJKSA-N	2	0	402.495	0.722	40	0		HCABRP
CC[NH+](CC)CCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CC[NH+](CC)CC)c3=O	ZINC000059484436	568707773	/nfs/dbraw/zinc/70/77/73/568707773.db2.gz	UJRBJVPKOCXKAK-UHFFFAOYSA-N	2	0	414.506	0.596	40	0		HCABRP
CN1CCC[N@H+](CCNC(=O)c2ccccc2)CCN(CC[NH3+])CCC[NH+](C)CC1	ZINC000068606257	558863893	/nfs/dbraw/zinc/86/38/93/558863893.db2.gz	WBMZRIXQOXSRFZ-UHFFFAOYSA-N	3	0	418.630	0.637	40	0		HCABRP
CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CC[NH+](C)CC3)C2=O)cc1	ZINC000102407679	559150261	/nfs/dbraw/zinc/15/02/61/559150261.db2.gz	XMCVJUIVOWMGJU-GOSISDBHSA-N	2	0	402.495	0.722	40	0		HCABRP
COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]C4CC[NH2+]CC4)[C@@H](O)[C@H]3O2)cc1	ZINC000225512396	291179836	/nfs/dbraw/zinc/17/98/36/291179836.db2.gz	SGADKCKVHGBUBR-UWRIJYQHSA-N	2	0	419.522	0.329	40	0	biogenic,in-vitro	HCABRP
CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000257208267	568778500	/nfs/dbraw/zinc/77/85/00/568778500.db2.gz	BLKJFGSHZLFOOJ-KRWDZBQOSA-N	2	0	400.527	0.876	40	0		HCABRP
C[N@@H+]1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(C(=O)[C@@H]3CCC[NH+](CC(N)=O)C3)[C@@H]2C1	ZINC000257297663	568803710	/nfs/dbraw/zinc/80/37/10/568803710.db2.gz	RIIZWZBNKDHCTI-BEZXDORVSA-N	2	0	414.550	0.491	40	0		HCABRP
C[N@@H+]1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(C(=O)[C@H]3CCC[NH+](CC(N)=O)C3)[C@@H]2C1	ZINC000257297664	568803845	/nfs/dbraw/zinc/80/38/45/568803845.db2.gz	RIIZWZBNKDHCTI-WXOXAHCZSA-N	2	0	414.550	0.491	40	0		HCABRP
C[N@@H+]1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)[C@@H]1CCC[NH+](CC(N)=O)C1)CC[C@H]2O	ZINC000257310911	568807416	/nfs/dbraw/zinc/80/74/16/568807416.db2.gz	UHDSKMLKXBKWON-BEZXDORVSA-N	2	0	414.550	0.491	40	0		HCABRP
C[N@@H+]1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)[C@H]1CCC[NH+](CC(N)=O)C1)CC[C@H]2O	ZINC000257310912	568807432	/nfs/dbraw/zinc/80/74/32/568807432.db2.gz	UHDSKMLKXBKWON-WXOXAHCZSA-N	2	0	414.550	0.491	40	0		HCABRP
NC(=O)C1CC[NH+](CC(=O)N2CCC[C@@](O)(C[NH+]3CCC(F)(F)CC3)CC2)CC1	ZINC000257336335	568814963	/nfs/dbraw/zinc/81/49/63/568814963.db2.gz	YNZSGGIGCFQNOE-IBGZPJMESA-N	2	0	416.513	0.658	40	0		HCABRP
NC(=O)C1CC[NH+](CC(=O)N2CCC[C@](O)(C[NH+]3CCC(F)(F)CC3)CC2)CC1	ZINC000257336336	568815025	/nfs/dbraw/zinc/81/50/25/568815025.db2.gz	YNZSGGIGCFQNOE-LJQANCHMSA-N	2	0	416.513	0.658	40	0		HCABRP
CC(C)[N@@H+]1[C@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@H]2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000585108398	559030166	/nfs/dbraw/zinc/03/01/66/559030166.db2.gz	AZVDHANPBYBUPZ-MNEFBYGVSA-N	2	0	405.518	0.751	40	0		HCABRP
CC(C)[N@@H+]1[C@H]2CN(C(=O)CCc3cncnc3)C[C@H]2C[C@H]1C(=O)NCC[NH+](C)C	ZINC000585108455	559030158	/nfs/dbraw/zinc/03/01/58/559030158.db2.gz	OSKPNJLLQLMQMF-QYZOEREBSA-N	2	0	402.543	0.397	40	0		HCABRP
COc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(C(C)=O)CC3)C2)ccc1OCC[NH+](C)C	ZINC000585270891	559116422	/nfs/dbraw/zinc/11/64/22/559116422.db2.gz	CEAZHNRGZXFPOT-PMACEKPBSA-N	2	0	420.554	0.345	40	0		HCABRP
COc1cc(C[NH2+][C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)ccc1OCCC[NH+](C)C	ZINC000585271511	559115878	/nfs/dbraw/zinc/11/58/78/559115878.db2.gz	GCFNTXVLSSSOIK-GUDVDZBRSA-N	2	0	409.527	0.458	40	0		HCABRP
COCC(=O)NC[C@]1(O)C[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1O	ZINC000585271776	559117858	/nfs/dbraw/zinc/11/78/58/559117858.db2.gz	HJAWUOAWZFCLGW-IRLDBZIGSA-N	2	0	421.538	0.222	40	0		HCABRP
CC(=O)N1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)CC1	ZINC000585273576	559117571	/nfs/dbraw/zinc/11/75/71/559117571.db2.gz	QPUDXFYFUXWAKZ-JOCHJYFZSA-N	2	0	404.555	0.728	40	0		HCABRP
CC(=O)N1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)CC1	ZINC000585273587	559117542	/nfs/dbraw/zinc/11/75/42/559117542.db2.gz	QPUDXFYFUXWAKZ-QFIPXVFZSA-N	2	0	404.555	0.728	40	0		HCABRP
O=C(C[C@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH2+]CC3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1	ZINC000604381662	568489262	/nfs/dbraw/zinc/48/92/62/568489262.db2.gz	JXKYHHVMXMOIPQ-VLFNSIGCSA-N	2	0	407.486	0.459	40	0	biogenic,in-vitro	HCABRP