smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(C=NNC1=[NH+]CCN1)=NNC1=[NH+]CCN1	ZINC000003593106	166225072	/nfs/dbraw/zinc/22/50/72/166225072.db2.gz	SOPLPTZKLARLQW-ACFHMISVSA-N	2	2	222.256	-1.944	40	30		BAEBLP
C[N+](C)(CC[NH2+]CC(N)=O)CC(N)=O	ZINC000004878914	384086211	/nfs/dbraw/zinc/08/62/11/384086211.db2.gz	UTFHZPOPCFMODX-UHFFFAOYSA-O	2	2	203.266	-2.377	40	30		BAEBLP
CC[N+](CC)(CC[NH2+]CC(N)=O)CC(N)=O	ZINC000004878916	342753799	/nfs/dbraw/zinc/75/37/99/342753799.db2.gz	CDDSZLQEEWFHGC-UHFFFAOYSA-O	2	2	231.320	-1.597	40	30		BAEBLP
C[C@@H]([NH3+])C(=O)N[C@@H](CO)[C@H](O)[C@H]([NH3+])C=O	ZINC000005374388	346614828	/nfs/dbraw/zinc/61/48/28/346614828.db2.gz	KBSVAZCLQHOLKP-MVIOUDGNSA-N	2	2	219.241	-3.302	40	30	in-vitro	BAEBLP
C[C@H]([NH3+])C(=O)N[C@H](CO)[C@H](O)[C@H]([NH3+])C=O	ZINC000006486891	346650238	/nfs/dbraw/zinc/65/02/38/346650238.db2.gz	KBSVAZCLQHOLKP-BDVNFPICSA-N	2	2	219.241	-3.302	40	30		BAEBLP
CC(C=NNC1=[NH+]CCN1)=NNC1=[NH+]CCN1	ZINC000008622312	491087085	/nfs/dbraw/zinc/08/70/85/491087085.db2.gz	RLKJLADFFIKRSF-QSPLRUFESA-N	2	2	236.283	-1.554	40	30		BAEBLP
CC(C=NNC1=[NH+]CCN1)=N[NH+]=C1NCCN1	ZINC000008622312	491087084	/nfs/dbraw/zinc/08/70/84/491087084.db2.gz	RLKJLADFFIKRSF-QSPLRUFESA-N	2	2	236.283	-1.554	40	30		BAEBLP
C[C@H]([NH3+])C(=O)N[C@@H](CO)[C@H](O)[C@H]([NH3+])C=O	ZINC000017064468	347230370	/nfs/dbraw/zinc/23/03/70/347230370.db2.gz	KBSVAZCLQHOLKP-BNHYGAARSA-N	2	2	219.241	-3.302	40	30		BAEBLP
CC(C=NNC1=[NH+]CCN1)=NNC1=[NH+]CCN1	ZINC000017324570	342923506	/nfs/dbraw/zinc/92/35/06/342923506.db2.gz	RLKJLADFFIKRSF-MKFXEVHTSA-N	2	2	236.283	-1.554	40	30		BAEBLP
CC(C=NNC1=[NH+]CCN1)=N[NH+]=C1NCCN1	ZINC000017324570	342923505	/nfs/dbraw/zinc/92/35/05/342923505.db2.gz	RLKJLADFFIKRSF-MKFXEVHTSA-N	2	2	236.283	-1.554	40	30		BAEBLP
C[C@@H]([NH3+])C(=O)N[C@H](CO)[C@H](O)[C@H]([NH3+])C=O	ZINC000031949768	175799085	/nfs/dbraw/zinc/79/90/85/175799085.db2.gz	KBSVAZCLQHOLKP-DBRKOABJSA-N	2	2	219.241	-3.302	40	30	in-vitro	BAEBLP
C(C=NNC1=[NH+]CCN1)=NNC1=[NH+]CCN1	ZINC000104309853	166225319	/nfs/dbraw/zinc/22/53/19/166225319.db2.gz	SOPLPTZKLARLQW-GFIWHYBVSA-N	2	2	222.256	-1.944	40	30		BAEBLP
C(C=NNC1=[NH+]CCN1)=NNC1=[NH+]CCN1	ZINC000104309856	166226057	/nfs/dbraw/zinc/22/60/57/166226057.db2.gz	SOPLPTZKLARLQW-FUJGBLOQSA-N	2	2	222.256	-1.944	40	30		BAEBLP
CC(C=NNC1=[NH+]CCN1)=NNC1=[NH+]CCN1	ZINC000104389784	384826866	/nfs/dbraw/zinc/82/68/66/384826866.db2.gz	RLKJLADFFIKRSF-GEMWTQJRSA-N	2	2	236.283	-1.554	40	30		BAEBLP
CC(C=NNC1=[NH+]CCN1)=N[NH+]=C1NCCN1	ZINC000104389784	384826860	/nfs/dbraw/zinc/82/68/60/384826860.db2.gz	RLKJLADFFIKRSF-GEMWTQJRSA-N	2	2	236.283	-1.554	40	30		BAEBLP
CC(C=NNC1=[NH+]CCN1)=NNC1=[NH+]CCN1	ZINC000104389788	384828189	/nfs/dbraw/zinc/82/81/89/384828189.db2.gz	RLKJLADFFIKRSF-LRSUZXNRSA-N	2	2	236.283	-1.554	40	30		BAEBLP
CC(C=NNC1=[NH+]CCN1)=N[NH+]=C1NCCN1	ZINC000104389788	384828179	/nfs/dbraw/zinc/82/81/79/384828179.db2.gz	RLKJLADFFIKRSF-LRSUZXNRSA-N	2	2	236.283	-1.554	40	30		BAEBLP