smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC(N)=[NH2+])C(C)=NNC(N)=[NH2+]	8622518	166229740	/nfs/dbraw/zinc/22/97/40/166229740.db2.gz	QCPPROTWPVZXKL-XPWJWFAVSA-N	2	0	198.234	-1.296	40	30		AAEBRP
CC(=NNC(N)=[NH2+])C(C)=NNC(N)=[NH2+]	100612631	166230897	/nfs/dbraw/zinc/23/08/97/166230897.db2.gz	QCPPROTWPVZXKL-LPPGRIHKSA-N	2	0	198.234	-1.296	40	30		AAEBRP
CC(C=NNC(N)=[NH2+])=NNC(N)=[NH2+]	100071880	166231868	/nfs/dbraw/zinc/23/18/68/166231868.db2.gz	MXWHMTNPTTVWDM-BODWMKBTSA-N	2	0	184.207	-1.686	40	30	in-vitro	AAEBRP
C[C@@H](CN[NH+]=C(N)N)N[NH+]=C(N)N	17328551	168348601	/nfs/dbraw/zinc/34/86/01/168348601.db2.gz	WFXHNVNHWQTKNF-VKHMYHEASA-N	2	0	188.239	-3.069	40	30		AAEBRP
N[NH+]=C(N)CCCC(N)=[NH+]N	16082798	169134741	/nfs/dbraw/zinc/13/47/41/169134741.db2.gz	ZQSNQFZEHUOCPW-UHFFFAOYSA-N	2	0	158.209	-1.382	40	30		AAEBRP
NC(=[NH2+])NN=CC=NNC(N)=[NH2+]	8614676	169137418	/nfs/dbraw/zinc/13/74/18/169137418.db2.gz	JCJMVSDVPRRNSU-NTXSPULPSA-N	2	0	170.180	-2.076	40	30		AAEBRP
NC(=[NH2+])NN=CC=NNC(N)=[NH2+]	100614716	169137896	/nfs/dbraw/zinc/13/78/96/169137896.db2.gz	JCJMVSDVPRRNSU-LNUNWCPQSA-N	2	0	170.180	-2.076	40	30		AAEBRP
NC(=[NH2+])NN=Cc1cnn(C(N)=[NH2+])c1	1610236	169138129	/nfs/dbraw/zinc/13/81/29/169138129.db2.gz	KOFKQUDWSANUQA-QQDOKKFESA-N	2	0	194.202	-1.558	40	30	in-vitro	AAEBRP
[NH2+]=C(NCCO)C(=[NH2+])NCCO	1716318	169140480	/nfs/dbraw/zinc/14/04/80/169140480.db2.gz	HSXCRXPHWMVTCO-UHFFFAOYSA-N	2	0	174.204	-2.105	40	30		AAEBRP
NC(=[NH2+])NN=Cc1cnn(C(N)=[NH2+])c1	31794241	169141691	/nfs/dbraw/zinc/14/16/91/169141691.db2.gz	KOFKQUDWSANUQA-TYULJFPZSA-N	2	0	194.202	-1.768	40	30	in-vitro	AAEBRP
CCC(C=NNC(N)=[NH2+])=NNC(N)=[NH2+]	8616271	171022424	/nfs/dbraw/zinc/02/24/24/171022424.db2.gz	DDNVYHHARMNUBE-XPWJWFAVSA-N	2	0	198.234	-1.296	40	30	in-vitro	AAEBRP
CCNC(=[NH2+])NC(N)=[NH2+]	1746129	342963416	/nfs/dbraw/zinc/96/34/16/342963416.db2.gz	XWFPIJRFFLYWRN-UHFFFAOYSA-N	2	0	129.167	-1.196	40	30		AAEBRP
NC(=[NH2+])NC/C=C/C[NH3+]	138109641	343988065	/nfs/dbraw/zinc/98/80/65/343988065.db2.gz	XNXVYVWQERZWFA-OWOJBTEDSA-N	2	0	128.179	-1.225	40	30		AAEBRP
NC(=[NH2+])NC[C@H]1CC[NH2+]C1	256052246	344938760	/nfs/dbraw/zinc/93/87/60/344938760.db2.gz	MNSRQZFDTYNGAK-YFKPBYRVSA-N	2	0	142.206	-1.131	40	30		AAEBRP
NC(=[NH2+])NC[C@@H]1CC[NH2+]C1	256052245	344938797	/nfs/dbraw/zinc/93/87/97/344938797.db2.gz	MNSRQZFDTYNGAK-RXMQYKEDSA-N	2	0	142.206	-1.131	40	30		AAEBRP
COC(=O)[C@@H](N)CCON=C(N)N	33978582	1169070503	/nfs/dbraw/zinc/07/05/03/1169070503.db2.gz	LTYQWEVXKPLDNG-BYPYZUCNSA-N	2	0	190.203	-1.918	40	30		AAEBRP