smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc2c(c1)[nH+]cc1ccccc12 5162919 169294598 /nfs/dbraw/zinc/29/45/98/169294598.db2.gz APQODMSXQCBFHE-UHFFFAOYSA-N 1 2 194.237 2.970 10 5 AFBELO Nc1cccc2[nH+]c3ccccc3cc12 5011167 169298004 /nfs/dbraw/zinc/29/80/04/169298004.db2.gz LOMMDWBTANPFEJ-UHFFFAOYSA-N 1 2 194.237 2.970 10 5 AFBELO Nc1ccc2ccc3[nH+]cccc3c2c1 238580212 572828589 /nfs/dbraw/zinc/82/85/89/572828589.db2.gz NLBCRRHBCPGCFS-UHFFFAOYSA-N 1 2 194.237 2.970 10 5 AFBELO Nc1ccc2c(ccc3c[nH+]ccc32)c1 238579463 572829689 /nfs/dbraw/zinc/82/96/89/572829689.db2.gz ZMDXPNRPPDTZHW-UHFFFAOYSA-N 1 2 194.237 2.970 10 5 AFBELO