smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CO[C@H]1CN(CCN=[N+]=[N-])C[C@H]1O	409425597	AWFHQAASLYJHFY-RQJHMYQMSA-N	186.215	-0.012	10	20	ABCD	
OCC(CO)NCc1ccccc1O	83691028	LYELOLQCTDKYBW-UHFFFAOYSA-N	197.234	-0.165	10	20	ABCD	
CC(=O)C(=O)COc1nc(C)no1	308352142	ZAHAYPOZEVQKPQ-UHFFFAOYSA-N	184.151	-0.085	10	20	ABCD	
N=C1C=C(N)C(=N)C=C1N	104565023	RXIGSRMPMGACBG-UHFFFAOYSA-N	136.158	-0.275	10	20	ABCD	
CC(=O)C(=O)CSCC(=O)O	1589021172	MYNKSIIOBOFYQU-UHFFFAOYSA-N	176.193	-0.038	10	20	ABCD	
CC(=O)C(=O)C[C@@H]1COC[C@@H](C)N1	130376672	DQYSAZRXNSHMID-HTRCEHHLSA-N	185.223	-0.089	10	20	ABCD	
c1nncn1/N=N/n1cnnc1	59435367	HYKRXUIBPGRUFN-MDZDMXLPSA-N	164.132	-0.452	10	20	ABCD	
N[C@@H](CO)c1ccc(O)c(O)c1O	72197513	PFDPXJWHQCVFJJ-YFKPBYRVSA-N	185.179	-0.205	10	20	ABCD	
CO[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1O	396007225	AWFHQAASLYJHFY-RNFRBKRXSA-N	186.215	-0.012	10	20	ABCD	
CC(=O)C(=O)Cn1nccc1[N+](=O)[O-]	808022718	OINCNAYOZDSCMC-UHFFFAOYSA-N	197.150	-0.051	10	20	ABCD	
CC(=O)C(=O)[C@@H](O)C(C)=O	39069362	OKDWWGVTKQPUTM-YFKPBYRVSA-N	144.126	-0.906	10	20	ABCD	
CC(=O)C(=O)Cn1ncsc1=O	306498545	UHULFYMULIMPDZ-UHFFFAOYSA-N	186.192	-0.537	10	20	ABCD	
CC(=O)C(=O)Cn1nnnc1C(C)C	808022621	MOAUIYVIUSAJCE-UHFFFAOYSA-N	196.210	-0.045	10	20	ABCD	
[N-]=[N+]=NC1CN(CC(N)=O)C1	575617909	UBFJORHGCHDPTL-UHFFFAOYSA-N	155.161	-0.534	10	20	ABCD	
CC(=O)NCC(=O)N1CC(N=[N+]=[N-])C1	409423944	RUKLJWXXERVSNF-UHFFFAOYSA-N	197.198	-0.356	10	20	ABCD	
CC(=O)C(=O)C[C@@H]1COC[C@H](C)N1	130376875	DQYSAZRXNSHMID-POYBYMJQSA-N	185.223	-0.089	10	20	ABCD	
NCC(=O)NCCc1ccc(N)cc1	164439614	ZITKOZNFNXRJIX-UHFFFAOYSA-N	193.250	-0.114	10	20	ABCD	
CCC(=O)C(=O)CO	167396791	OWPMTLFDYNXRHF-UHFFFAOYSA-N	116.116	-0.473	10	20	ABCD	
NCC(=O)NCc1ccc(O)cc1O	83342465	RCDUMHCOBXITMV-UHFFFAOYSA-N	196.206	-0.327	10	20	ABCD	
[N-]=[N+]=NCC(=O)N1CC[C@@H](O)C1	409432199	UURGVWWBKYGHRK-RXMQYKEDSA-N	170.172	-0.110	10	20	ABCD	
CC(=O)C(=O)C[C@H]1COC[C@H](C)N1	130376432	DQYSAZRXNSHMID-XPUUQOCRSA-N	185.223	-0.089	10	20	ABCD	
CCCc1nnnn1CC(=O)C(C)=O	808022356	JMTRPUASXFONGI-UHFFFAOYSA-N	196.210	-0.216	10	20	ABCD	
O=C(CO)NCc1ccc(O)c(O)c1	778927220	LQRXULGUYRHHQV-UHFFFAOYSA-N	197.190	-0.294	10	20	ABCD	
N[C@@H](CO)c1c(O)cc(O)cc1O	72197509	JEHJPXYEDHRSIK-YFKPBYRVSA-N	185.179	-0.205	10	20	ABCD	
[N-]=[N+]=NCC(=O)N1CC(CO)C1	409425753	GTRONVKEHZBTLN-UHFFFAOYSA-N	170.172	-0.253	10	20	ABCD	
NCC(=O)NCc1c(O)cccc1O	1580210792	RCRXACKKVQIHGC-UHFFFAOYSA-N	196.206	-0.327	10	20	ABCD	
CC(=O)C(=O)C[C@H]1COC[C@@H](C)N1	130376233	DQYSAZRXNSHMID-SVRRBLITSA-N	185.223	-0.089	10	20	ABCD	
NCCNC(=O)Cc1ccc(N)cc1	40832324	IPRGVXMJJJKKOO-UHFFFAOYSA-N	193.250	-0.114	10	20	ABCD	
CC(=O)C(=O)Cn1cc([N+](=O)[O-])cn1	808020146	PTALCJOOXDCYHZ-UHFFFAOYSA-N	197.150	-0.051	10	20	ABCD	
[N-]=[N+]=NCC(=O)N1CC[C@H](O)C1	409432202	UURGVWWBKYGHRK-YFKPBYRVSA-N	170.172	-0.110	10	20	ABCD	
[N-]=[N+]=NCC(=O)N1CC(O)C1	409427171	JVBMDDWCXPBILO-UHFFFAOYSA-N	156.145	-0.500	10	20	ABCD	
CC(=O)OCC(=O)C(C)=O	39038151	ZHZHTSMRXAGQAN-UHFFFAOYSA-N	144.126	-0.292	10	20	ABCD	
CC(=O)C(=O)[C@H](O)C(C)=O	141213834	OKDWWGVTKQPUTM-RXMQYKEDSA-N	144.126	-0.906	10	20	ABCD	
CO[C@H]1CN(CCN=[N+]=[N-])C[C@@H]1O	409425595	AWFHQAASLYJHFY-BQBZGAKWSA-N	186.215	-0.012	10	20	ABCD	
[N-]=[N+]=NCCN1CC(O)C1	307596950	MXRBMQPVSHXDPC-UHFFFAOYSA-N	142.162	-0.027	10	20	ABCD	
CO[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1O	409425596	AWFHQAASLYJHFY-NKWVEPMBSA-N	186.215	-0.012	10	20	ABCD	
CC(=O)C(=O)Cn1nnc(C2CC2)n1	808036304	MXZFKQXCIYGWIN-UHFFFAOYSA-N	194.194	-0.291	10	20	ABCD