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+](CC)CCSCCNc1c(C)c[nH+]c2ccc(Cl)cc21	ZINC000001683261	210366157	/nfs/dbraw/zinc/36/61/57/210366157.db2.gz	VQQBIOFKVOLIBQ-UHFFFAOYSA-N	2	0	351.947	4.684	40	0		FJABRP
c1cc(C[NH2+][C@@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)cs1	ZINC000096242803	222097562	/nfs/dbraw/zinc/09/75/62/222097562.db2.gz	BBBSZFDYLWUGKK-HXUWFJFHSA-N	2	0	368.546	4.606	40	0		FJABRP
Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cccs4)CC3)C2)cc1	ZINC000096047372	570473617	/nfs/dbraw/zinc/47/36/17/570473617.db2.gz	FAFZQMIXTRWFOI-UHFFFAOYSA-N	2	0	354.563	4.935	40	0		FJABRP
c1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1	ZINC000004981604	570676075	/nfs/dbraw/zinc/67/60/75/570676075.db2.gz	UXYJZCLJPYUZCM-XZOQPEGZSA-N	2	0	362.542	4.896	40	0		FJABRP
c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000034086998	571085709	/nfs/dbraw/zinc/08/57/09/571085709.db2.gz	MGXJQLLOZXQAEP-RPBOFIJWSA-N	2	0	356.513	4.835	40	0		FJABRP
c1ccc2c(c1)cc[n+]1c2-c2c3ccccc3cc[n+]2Cc2ccccc2C1	ZINC000001564229	204011652	/nfs/dbraw/zinc/01/16/52/204011652.db2.gz	NAAQSPLYUFGOLI-UHFFFAOYSA-N	2	0	360.460	4.645	40	0		FJABRP
COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3CC[NH+](C)C)c2)cc1	ZINC000057775550	221094511	/nfs/dbraw/zinc/09/45/11/221094511.db2.gz	GDSSUABGLKZROX-JOCHJYFZSA-N	2	0	352.522	4.668	40	0		FJABRP
CC(C)[NH+]1CCC(C[N@H+](C)Cc2c3cccnc3[nH]c2C2CCCC2)CC1	ZINC000019447806	570889075	/nfs/dbraw/zinc/88/90/75/570889075.db2.gz	UZSWQFFVNFSTGR-UHFFFAOYSA-N	2	0	368.569	4.773	40	0		FJABRP
c1csc(C[NH2+][C@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)c1	ZINC000096242806	205863668	/nfs/dbraw/zinc/86/36/68/205863668.db2.gz	OYRSVIVAVREDKG-FQEVSTJZSA-N	2	0	368.546	4.606	40	0		FJABRP
C[N@H+](CC1CCCCC1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2	ZINC000257330841	529865005	/nfs/dbraw/zinc/86/50/05/529865005.db2.gz	XQGDBMHOSHNQPY-UHFFFAOYSA-N	2	0	356.554	4.704	40	0		FJABRP
Cc1ccc(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)s1	ZINC000096047189	570473255	/nfs/dbraw/zinc/47/32/55/570473255.db2.gz	NEDCUHNFUIGSAA-UHFFFAOYSA-N	2	0	360.592	4.996	40	0		FJABRP
COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccsc4)CC3)CC2)c1	ZINC000096047241	570473355	/nfs/dbraw/zinc/47/33/55/570473355.db2.gz	KNELKYRINMXGGU-UHFFFAOYSA-N	2	0	370.562	4.635	40	0		FJABRP
CCCC[NH+](CCCC)CCOCCOCC[NH+](CCCC)CCCC	ZINC000005298101	570623694	/nfs/dbraw/zinc/62/36/94/570623694.db2.gz	QOZCTERBLKQQRT-UHFFFAOYSA-N	2	0	372.638	4.824	40	0		FJABRP
c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(-c5ccccc5)cc4)C[C@H]3C2)cc1	ZINC000096245627	222099714	/nfs/dbraw/zinc/09/97/14/222099714.db2.gz	NRDJASDCGQPBAS-CLJLJLNGSA-N	2	0	368.524	4.917	40	0		FJABRP
COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3CC[NH+](C)C)c2)cc1	ZINC000057775548	221094206	/nfs/dbraw/zinc/09/42/06/221094206.db2.gz	GDSSUABGLKZROX-QFIPXVFZSA-N	2	0	352.522	4.668	40	0		FJABRP
c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000026440547	568648931	/nfs/dbraw/zinc/64/89/31/568648931.db2.gz	MGXJQLLOZXQAEP-JWQCQUIFSA-N	2	0	356.513	4.835	40	0		FJABRP
c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000245227436	526472582	/nfs/dbraw/zinc/47/25/82/526472582.db2.gz	MGXJQLLOZXQAEP-DQEYMECFSA-N	2	0	356.513	4.835	40	0		FJABRP
C[C@@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C	ZINC000004097187	204121125	/nfs/dbraw/zinc/12/11/25/204121125.db2.gz	GPLGAQQQNWMVMM-QDSFDNPXSA-N	2	0	356.598	4.810	40	0	in-vitro	FJABRP
c1csc(C[NH2+][C@@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)c1	ZINC000096242805	570480120	/nfs/dbraw/zinc/48/01/20/570480120.db2.gz	OYRSVIVAVREDKG-HXUWFJFHSA-N	2	0	368.546	4.606	40	0		FJABRP
c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(-c5ccccc5)cc4)C[C@@H]3C2)cc1	ZINC000096245626	209144597	/nfs/dbraw/zinc/14/45/97/209144597.db2.gz	NRDJASDCGQPBAS-UIOOFZCWSA-N	2	0	368.524	4.917	40	0		FJABRP
CC(C)[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cccs1)c1ccccc1O2	ZINC000096242711	209143551	/nfs/dbraw/zinc/14/35/51/209143551.db2.gz	MNJANUORIVAWED-IBGZPJMESA-N	2	0	356.535	4.605	40	0		FJABRP
Cc1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4ccc(C)cc4)C3)CC2)o1	ZINC000096047376	209100894	/nfs/dbraw/zinc/10/08/94/209100894.db2.gz	PYVXYNMQEZQKOK-UHFFFAOYSA-N	2	0	352.522	4.775	40	0		FJABRP
COc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc(C)s4)C3)CC2)c1	ZINC000096046637	209100191	/nfs/dbraw/zinc/10/01/91/209100191.db2.gz	UJDUHCZVWNNBCM-UHFFFAOYSA-N	2	0	370.562	4.553	40	0		FJABRP
c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(-c5ccccc5)cc4)C[C@@H]3C2)cc1	ZINC000096245625	222099586	/nfs/dbraw/zinc/09/95/86/222099586.db2.gz	NRDJASDCGQPBAS-WMPKNSHKSA-N	2	0	368.524	4.917	40	0		FJABRP
Cc1ccc(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)cc1	ZINC000096047254	570473317	/nfs/dbraw/zinc/47/33/17/570473317.db2.gz	YGQRHEGMFTYUCM-UHFFFAOYSA-N	2	0	354.563	4.935	40	0		FJABRP
c1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1	ZINC000013562958	571108313	/nfs/dbraw/zinc/10/83/13/571108313.db2.gz	UXYJZCLJPYUZCM-DHIUTWEWSA-N	2	0	362.542	4.896	40	0		FJABRP
C[N@H+](CC1=CCCCC1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2	ZINC000257228804	571152363	/nfs/dbraw/zinc/15/23/63/571152363.db2.gz	FVIIWDFNGXYDKO-UHFFFAOYSA-N	2	0	354.538	4.624	40	0		FJABRP
c1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1	ZINC000230026084	571340451	/nfs/dbraw/zinc/34/04/51/571340451.db2.gz	UXYJZCLJPYUZCM-PKTZIBPZSA-N	2	0	362.542	4.896	40	0		FJABRP
Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)o1	ZINC000096047259	209099630	/nfs/dbraw/zinc/09/96/30/209099630.db2.gz	ZNAPKSZXXVCFQG-UHFFFAOYSA-N	2	0	352.522	4.775	40	0		FJABRP
CC[N@@H+]1Cc2ccccc2OC2(CCC([NH+](C)C[C@@H]3CC=CCC3)CC2)C1	ZINC000257245176	527992888	/nfs/dbraw/zinc/99/28/88/527992888.db2.gz	IOJHWJJEEJAVOC-CKQIISDPSA-N	2	0	368.565	4.870	40	0		FJABRP
Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccsc4)CC3)C2)cc1	ZINC000096047374	570473664	/nfs/dbraw/zinc/47/36/64/570473664.db2.gz	JVDYAFVNNSJSRP-UHFFFAOYSA-N	2	0	354.563	4.935	40	0		FJABRP
C[C@@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C	ZINC000118917507	209348800	/nfs/dbraw/zinc/34/88/00/209348800.db2.gz	GPLGAQQQNWMVMM-OCBZMFRYSA-N	2	0	356.598	4.810	40	0	in-vitro	FJABRP
Fc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccsc4)CC3)CC2)c1	ZINC000096047230	221998785	/nfs/dbraw/zinc/99/87/85/221998785.db2.gz	ITRYRBUUXWRSNB-UHFFFAOYSA-N	2	0	358.526	4.765	40	0		FJABRP
Fc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1	ZINC000013562961	570833712	/nfs/dbraw/zinc/83/37/12/570833712.db2.gz	HSBAYIHQSCXMDL-NOZRDPDXSA-N	2	0	374.503	4.974	40	0		FJABRP
Cc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)s1	ZINC000013992629	570840521	/nfs/dbraw/zinc/84/05/21/570840521.db2.gz	IULOANMFUMWSCD-UHFFFAOYSA-N	2	0	357.567	4.763	40	0		FJABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cccc(Cl)c1)Cc1ccccc1O2	ZINC000019591987	570895797	/nfs/dbraw/zinc/89/57/97/570895797.db2.gz	SHJBGOGYBQVYTL-UHFFFAOYSA-N	2	0	370.924	4.635	40	0		FJABRP
CC[N@@H+]1Cc2ccccc2OC2(CCC([NH+](C)C[C@H]3CC=CCC3)CC2)C1	ZINC000257245177	571153799	/nfs/dbraw/zinc/15/37/99/571153799.db2.gz	IOJHWJJEEJAVOC-INVBSJAUSA-N	2	0	368.565	4.870	40	0		FJABRP
Fc1ccc(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)cc1	ZINC000096047190	221998914	/nfs/dbraw/zinc/99/89/14/221998914.db2.gz	RSWGCLZXPIODBM-UHFFFAOYSA-N	2	0	358.526	4.765	40	0		FJABRP
Clc1ccccc1C[NH+](Cc1ccccc1Cl)CC1CC[NH2+]CC1	ZINC000072203327	570527234	/nfs/dbraw/zinc/52/72/34/570527234.db2.gz	AWCYZCAEUQVFBJ-UHFFFAOYSA-N	2	0	363.332	4.995	40	0		FJABRP
c1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1	ZINC000034086981	570648155	/nfs/dbraw/zinc/64/81/55/570648155.db2.gz	UXYJZCLJPYUZCM-GOTSBHOMSA-N	2	0	362.542	4.896	40	0		FJABRP
COc1ccc(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)cc1	ZINC000096047191	209100127	/nfs/dbraw/zinc/10/01/27/209100127.db2.gz	KMICREQIVBOVOJ-UHFFFAOYSA-N	2	0	370.562	4.635	40	0		FJABRP
COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)c1	ZINC000096047240	209099190	/nfs/dbraw/zinc/09/91/90/209099190.db2.gz	VEXFZRAWEFIBKQ-UHFFFAOYSA-N	2	0	370.562	4.635	40	0		FJABRP
Cc1ccc(C[NH+]2CCC3(CC[NH+](Cc4ccsc4)CC3)CC2)cc1	ZINC000096047256	570472898	/nfs/dbraw/zinc/47/28/98/570472898.db2.gz	MHNFYXQTEYJWMC-UHFFFAOYSA-N	2	0	354.563	4.935	40	0		FJABRP
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C	ZINC000028539782	571192176	/nfs/dbraw/zinc/19/21/76/571192176.db2.gz	GPLGAQQQNWMVMM-JLGZHIAASA-N	2	0	356.598	4.810	40	0	in-vitro	FJABRP
c1cc(C[NH2+][C@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)cs1	ZINC000096242804	209143348	/nfs/dbraw/zinc/14/33/48/209143348.db2.gz	BBBSZFDYLWUGKK-FQEVSTJZSA-N	2	0	368.546	4.606	40	0		FJABRP
Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccc(F)c2)CC3)o1	ZINC000096047232	209099983	/nfs/dbraw/zinc/09/99/83/209099983.db2.gz	HPAKXOJMMVYEQK-UHFFFAOYSA-N	2	0	356.485	4.605	40	0		FJABRP
Fc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccc(F)c2)CC3)cc1	ZINC000096047234	222000336	/nfs/dbraw/zinc/00/03/36/222000336.db2.gz	ZHLHPLOHSYXZCY-UHFFFAOYSA-N	2	0	370.487	4.843	40	0		FJABRP
CC(C)[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cccs1)c1ccccc1O2	ZINC000096242712	222097523	/nfs/dbraw/zinc/09/75/23/222097523.db2.gz	MNJANUORIVAWED-LJQANCHMSA-N	2	0	356.535	4.605	40	0		FJABRP
c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000013564360	571303587	/nfs/dbraw/zinc/30/35/87/571303587.db2.gz	MGXJQLLOZXQAEP-LOSJGSFVSA-N	2	0	356.513	4.835	40	0		FJABRP