smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1csc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1	ZINC000177697547	705635999	/nfs/dbraw/zinc/63/59/99/705635999.db2.gz	OBHXPPKKYCQKLC-FQEVSTJZSA-N	2	0	355.507	3.155	10	30		FGEERP
C[N@@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106128310	495418675	/nfs/dbraw/zinc/41/86/75/495418675.db2.gz	QUSGSRGKGAVIPT-QHCPKHFHSA-N	2	0	363.505	3.436	10	30		FGEERP
N#Cc1csc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1	ZINC000177697538	705635921	/nfs/dbraw/zinc/63/59/21/705635921.db2.gz	OBHXPPKKYCQKLC-HXUWFJFHSA-N	2	0	355.507	3.155	10	30		FGEERP
C=CCn1c(C2CC2)nn(CN2CCC[C@H]2Cn2ccnc2C)c1=S	ZINC000176072412	705570241	/nfs/dbraw/zinc/57/02/41/705570241.db2.gz	AAVOIPJHPVVQNU-INIZCTEOSA-N	2	0	358.515	3.105	10	30		FGEERP
C[N@@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000106127837	495418769	/nfs/dbraw/zinc/41/87/69/495418769.db2.gz	ADOVMBIAQBCELY-HSZRJFAPSA-N	2	0	363.505	3.436	10	30		FGEERP
N#Cc1ccc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)s1	ZINC000176964990	495860733	/nfs/dbraw/zinc/86/07/33/495860733.db2.gz	MWKCOSVFYGTXGC-HXUWFJFHSA-N	2	0	355.507	3.155	10	30		FGEERP
Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180239660	495920730	/nfs/dbraw/zinc/92/07/30/495920730.db2.gz	KDUAARGHZWFOCQ-FQEVSTJZSA-N	2	0	360.465	3.128	10	30		FGEERP
C[N@H+](CCCSCC#N)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000173885700	495732192	/nfs/dbraw/zinc/73/21/92/495732192.db2.gz	FXXBWKZOTHXBPJ-HXUWFJFHSA-N	2	0	361.555	3.011	10	30		FGEERP
C[N@@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000121178071	494633560	/nfs/dbraw/zinc/63/35/60/494633560.db2.gz	ZCVAZHVFIZHZEM-OAQYLSRUSA-N	2	0	369.534	3.497	10	30		FGEERP
C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC	ZINC000261630819	497423989	/nfs/dbraw/zinc/42/39/89/497423989.db2.gz	FJWCGEHIZDNBQG-UXHICEINSA-N	2	0	352.478	3.434	10	30		FGEERP
C=CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(OC)c1O	ZINC000261849699	497461358	/nfs/dbraw/zinc/46/13/58/497461358.db2.gz	QAFKLFLUAGKFNR-UXHICEINSA-N	2	0	352.478	3.304	10	30		FGEERP
C[N@@H+](Cc1ccc(C#N)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000121165648	494625929	/nfs/dbraw/zinc/62/59/29/494625929.db2.gz	JUHFPXCJJTYMDZ-OAQYLSRUSA-N	2	0	353.466	3.029	10	30		FGEERP
Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180239675	495920547	/nfs/dbraw/zinc/92/05/47/495920547.db2.gz	KDUAARGHZWFOCQ-HXUWFJFHSA-N	2	0	360.465	3.128	10	30		FGEERP
C[N@@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000121177900	494633768	/nfs/dbraw/zinc/63/37/68/494633768.db2.gz	ZCVAZHVFIZHZEM-NRFANRHFSA-N	2	0	369.534	3.497	10	30		FGEERP
COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000157744429	496542699	/nfs/dbraw/zinc/54/26/99/496542699.db2.gz	ZJQUHRBZDPNQCJ-SFHVURJKSA-N	2	0	366.465	3.083	10	30		FGEERP
C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261996509	713716741	/nfs/dbraw/zinc/71/67/41/713716741.db2.gz	SPFHVFUQEKQCFN-UWLZSVRSSA-N	2	0	360.468	3.003	10	30		FGEERP
C=CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Cl	ZINC000179515022	495623755	/nfs/dbraw/zinc/62/37/55/495623755.db2.gz	RQVPWDHFHNRLDA-INIZCTEOSA-N	2	0	366.933	3.429	10	30		FGEERP
C[N@@H+](Cc1ccc(C#N)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000121165486	494626292	/nfs/dbraw/zinc/62/62/92/494626292.db2.gz	JUHFPXCJJTYMDZ-NRFANRHFSA-N	2	0	353.466	3.029	10	30		FGEERP
C(#CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1)C[NH+]1CC[C@H](Nc2ccccc2)C1	ZINC000225574270	206117568	/nfs/dbraw/zinc/11/75/68/206117568.db2.gz	SQJFXMOBPXEXDV-PSWAGMNNSA-N	2	0	374.532	3.363	10	30		FGEERP
C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261996512	713716721	/nfs/dbraw/zinc/71/67/21/713716721.db2.gz	SPFHVFUQEKQCFN-WLIAPVHPSA-N	2	0	360.468	3.003	10	30		FGEERP
C[N@@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127835	495418222	/nfs/dbraw/zinc/41/82/22/495418222.db2.gz	ADOVMBIAQBCELY-QHCPKHFHSA-N	2	0	363.505	3.436	10	30		FGEERP
C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2Cn2ccnc2C)c1=S	ZINC000176072435	705570488	/nfs/dbraw/zinc/57/04/88/705570488.db2.gz	AAVOIPJHPVVQNU-MRXNPFEDSA-N	2	0	358.515	3.105	10	30		FGEERP
COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000157744567	496543428	/nfs/dbraw/zinc/54/34/28/496543428.db2.gz	ZJQUHRBZDPNQCJ-GOSISDBHSA-N	2	0	366.465	3.083	10	30		FGEERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000182064798	496656403	/nfs/dbraw/zinc/65/64/03/496656403.db2.gz	XCQPGOLLYZZBCB-JOCHJYFZSA-N	2	0	354.542	3.233	10	30		FGEERP
C[N@@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000106128312	495418910	/nfs/dbraw/zinc/41/89/10/495418910.db2.gz	QUSGSRGKGAVIPT-HSZRJFAPSA-N	2	0	363.505	3.436	10	30		FGEERP
N#Cc1ccc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1	ZINC000176965001	495860918	/nfs/dbraw/zinc/86/09/18/495860918.db2.gz	MWKCOSVFYGTXGC-FQEVSTJZSA-N	2	0	355.507	3.155	10	30		FGEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177133297	495939905	/nfs/dbraw/zinc/93/99/05/495939905.db2.gz	ZBYDKTQEXOYHKH-INIZCTEOSA-N	2	0	368.443	3.082	10	30		FGEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177133309	495940000	/nfs/dbraw/zinc/94/00/00/495940000.db2.gz	ZBYDKTQEXOYHKH-MRXNPFEDSA-N	2	0	368.443	3.082	10	30		FGEERP
C=CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Cl	ZINC000179515035	495623412	/nfs/dbraw/zinc/62/34/12/495623412.db2.gz	RQVPWDHFHNRLDA-MRXNPFEDSA-N	2	0	366.933	3.429	10	30		FGEERP
C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ccc(C[NH+]2CCCC2)cn1	ZINC000072435615	494174850	/nfs/dbraw/zinc/17/48/50/494174850.db2.gz	BOIQHYAOABMYDT-HXUWFJFHSA-N	2	0	359.514	3.113	10	30		FGEERP
C(#CC[N@@H+]1CC[C@H](Nc2ccccc2)C1)C[NH+]1CC[C@H](Nc2ccccc2)C1	ZINC000225574298	497067516	/nfs/dbraw/zinc/06/75/16/497067516.db2.gz	SQJFXMOBPXEXDV-ZEQRLZLVSA-N	2	0	374.532	3.363	10	30		FGEERP
C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1ccc(C[NH+]2CCCC2)cn1	ZINC000072435611	494175367	/nfs/dbraw/zinc/17/53/67/494175367.db2.gz	BOIQHYAOABMYDT-FQEVSTJZSA-N	2	0	359.514	3.113	10	30		FGEERP