smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040586303 205073716 /nfs/dbraw/zinc/07/37/16/205073716.db2.gz AFLFXPABIYYGFM-UHFFFAOYSA-N 1 0 359.798 4.328 10 5 FIBERO Cc1cc(C)c(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2Cl)c(C)c1 ZINC000256029650 717174631 /nfs/dbraw/zinc/17/46/31/717174631.db2.gz BHOMIHRGQQJSLJ-IBGZPJMESA-N 1 0 362.921 4.282 10 5 FIBERO Cc1cc(Cl)ccc1OC[C@H](O)C[N+](C)(C)Cc1ccc(Cl)cc1 ZINC000256029735 717174509 /nfs/dbraw/zinc/17/45/09/717174509.db2.gz DJEVTEXQHDXPHV-GOSISDBHSA-N 1 0 369.312 4.318 10 5 FIBERO Cc1cc(Cl)ccc1OC[C@@H](O)C[N+](C)(C)Cc1ccc(Cl)cc1 ZINC000256029736 717174598 /nfs/dbraw/zinc/17/45/98/717174598.db2.gz DJEVTEXQHDXPHV-SFHVURJKSA-N 1 0 369.312 4.318 10 5 FIBERO C[C@H](C[N+](C)(C)C)[C@](Cc1ccccc1)(OC(=O)C1CC1)c1ccccc1 ZINC000032106351 571309586 /nfs/dbraw/zinc/30/95/86/571309586.db2.gz NRTDXYMTODODMD-DVECYGJZSA-N 1 0 366.525 4.420 10 5 FIBERO CC(C)c1ccc(Oc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])cc1 ZINC000040586315 205072645 /nfs/dbraw/zinc/07/26/45/205072645.db2.gz BTDQISFFSIMKDT-UHFFFAOYSA-N 1 0 351.366 4.439 10 5 FIBERO C[NH+](C)CCNC(=O)c1cccc2c1nc1ccccc1c2-c1ccccc1 ZINC000005957864 204232085 /nfs/dbraw/zinc/23/20/85/204232085.db2.gz OWMIGERTWFJWTP-UHFFFAOYSA-N 1 0 369.468 4.346 10 5 FIBERO Cc1ccc2cccc(Oc3ncnc(Nc4cc[nH+]cc4)c3[N+](=O)[O-])c2n1 ZINC000040586338 205073379 /nfs/dbraw/zinc/07/33/79/205073379.db2.gz MZETYAMKWCORKY-UHFFFAOYSA-N 1 0 374.360 4.172 10 5 FIBERO CC(C)c1ccc(Nc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])cc1 ZINC000040586293 205073476 /nfs/dbraw/zinc/07/34/76/205073476.db2.gz XPBIPTREAMLTQD-UHFFFAOYSA-N 1 0 350.382 4.390 10 5 FIBERO C[N+](C)(Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCCC1 ZINC000136494405 717150478 /nfs/dbraw/zinc/15/04/78/717150478.db2.gz NLSNPDXFTNBDQM-UHFFFAOYSA-N 1 0 361.307 4.425 10 5 FIBERO O=C(c1cc2ccccc2c2cccnc12)N1CCC([NH+]2CCCC2)CC1 ZINC000170893747 1108832686 /nfs/dbraw/zinc/83/26/86/1108832686.db2.gz BXABXCHHSKFCRL-UHFFFAOYSA-N 1 0 359.473 4.088 10 5 FIBERO Cc1ccc(C)c(C[N+](C)(C)C[C@@H](O)COc2ccc(Cl)cc2C)c1 ZINC000256030895 717174645 /nfs/dbraw/zinc/17/46/45/717174645.db2.gz ULLUECPMPZZFLJ-HXUWFJFHSA-N 1 0 362.921 4.282 10 5 FIBERO Cc1c(Cl)cccc1Nc1ncnc(Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000040586281 208256830 /nfs/dbraw/zinc/25/68/30/208256830.db2.gz RXEUMZZZBPZWRV-UHFFFAOYSA-N 1 0 356.773 4.229 10 5 FIBERO C[C@@H](C[N+](C)(C)C)[C@@](Cc1ccccc1)(OC(=O)C1CC1)c1ccccc1 ZINC000032106344 571309580 /nfs/dbraw/zinc/30/95/80/571309580.db2.gz NRTDXYMTODODMD-YADARESESA-N 1 0 366.525 4.420 10 5 FIBERO C[C@@H](C[N+](C)(C)C)[C@](Cc1ccccc1)(OC(=O)C1CC1)c1ccccc1 ZINC000032106349 571309587 /nfs/dbraw/zinc/30/95/87/571309587.db2.gz NRTDXYMTODODMD-CYFREDJKSA-N 1 0 366.525 4.420 10 5 FIBERO Cc1cc(Cl)ccc1OC[C@@H](O)C[N+](C)(C)Cc1ccccc1Cl ZINC000256029640 717174648 /nfs/dbraw/zinc/17/46/48/717174648.db2.gz BFFJENUYWUQYCB-KRWDZBQOSA-N 1 0 369.312 4.318 10 5 FIBERO Cc1ccc(C)c(C[N+](C)(C)C[C@H](O)COc2c(C)cc(C)cc2C)c1 ZINC000256030019 717174483 /nfs/dbraw/zinc/17/44/83/717174483.db2.gz IDVCNTILUGJQMD-QFIPXVFZSA-N 1 0 356.530 4.245 10 5 FIBERO O=c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c2c(ccc3ccccc32)o1 ZINC000195506559 1103095496 /nfs/dbraw/zinc/09/54/96/1103095496.db2.gz BEUBZNZIFYIQBO-UHFFFAOYSA-N 1 0 359.429 4.049 10 5 FIBERO O=C(O[C@H]1C[N+]2(Cc3ccc(Cl)cc3)CCC1CC2)c1ccccc1 ZINC000003171421 570553500 /nfs/dbraw/zinc/55/35/00/570553500.db2.gz UBHROVYFFGIBPA-GTPZEUEISA-N 1 0 356.873 4.306 10 5 FIBERO O=[N+]([O-])c1ccc(Cc2cc[n+](C[C@H]3CCC4(CCCCC4)O3)cc2)cc1 ZINC000191698273 1102599217 /nfs/dbraw/zinc/59/92/17/1102599217.db2.gz XUJGCNYULGLEAB-OAQYLSRUSA-N 1 0 367.469 4.355 10 5 FIBERO Cc1ccc(C)c(C[N+](C)(C)C[C@@H](O)COc2c(C)cc(C)cc2C)c1 ZINC000256030018 717174622 /nfs/dbraw/zinc/17/46/22/717174622.db2.gz IDVCNTILUGJQMD-JOCHJYFZSA-N 1 0 356.530 4.245 10 5 FIBERO Cc1cc(C)c(OC[C@@H](O)C[N+](C)(C)Cc2ccc(Cl)cc2)c(C)c1 ZINC000256030971 717174643 /nfs/dbraw/zinc/17/46/43/717174643.db2.gz WLCUDTLRBMTEIG-FQEVSTJZSA-N 1 0 362.921 4.282 10 5 FIBERO Cc1cc(Cl)ccc1OC[C@H](O)C[N+](C)(C)Cc1ccccc1Cl ZINC000256029641 717174594 /nfs/dbraw/zinc/17/45/94/717174594.db2.gz BFFJENUYWUQYCB-QGZVFWFLSA-N 1 0 369.312 4.318 10 5 FIBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000182618188 1094148227 /nfs/dbraw/zinc/14/82/27/1094148227.db2.gz NCWNBPOMUIWWFA-KRWDZBQOSA-N 1 0 373.497 4.079 10 5 FIBERO Cn1nccc1C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000195503459 1103090944 /nfs/dbraw/zinc/09/09/44/1103090944.db2.gz FPMPYUNHMLREEQ-UHFFFAOYSA-N 1 0 373.456 4.059 10 5 FIBERO C[C@H](C[N+](C)(C)C)[C@@](Cc1ccccc1)(OC(=O)C1CC1)c1ccccc1 ZINC000032106347 571309583 /nfs/dbraw/zinc/30/95/83/571309583.db2.gz NRTDXYMTODODMD-NTKDMRAZSA-N 1 0 366.525 4.420 10 5 FIBERO Cc1cc(C)c(OC[C@H](O)C[N+](C)(C)Cc2ccccc2Cl)c(C)c1 ZINC000256029651 717174438 /nfs/dbraw/zinc/17/44/38/717174438.db2.gz BHOMIHRGQQJSLJ-LJQANCHMSA-N 1 0 362.921 4.282 10 5 FIBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000182618170 1094147643 /nfs/dbraw/zinc/14/76/43/1094147643.db2.gz NCWNBPOMUIWWFA-QGZVFWFLSA-N 1 0 373.497 4.079 10 5 FIBERO Cc1ccc(C)c(C[N+](C)(C)C[C@H](O)COc2ccc(Cl)cc2C)c1 ZINC000256030894 717174591 /nfs/dbraw/zinc/17/45/91/717174591.db2.gz ULLUECPMPZZFLJ-FQEVSTJZSA-N 1 0 362.921 4.282 10 5 FIBERO O=[N+]([O-])c1ccc(Cc2cc[n+](C[C@@H]3CCC4(CCCCC4)O3)cc2)cc1 ZINC000191698258 1102596973 /nfs/dbraw/zinc/59/69/73/1102596973.db2.gz XUJGCNYULGLEAB-NRFANRHFSA-N 1 0 367.469 4.355 10 5 FIBERO O=C(O[C@@H]1C[N+]2(Cc3ccc(Cl)cc3)CCC1CC2)c1ccccc1 ZINC000003171423 570553644 /nfs/dbraw/zinc/55/36/44/570553644.db2.gz UBHROVYFFGIBPA-WEQDKIBNSA-N 1 0 356.873 4.306 10 5 FIBERO Cc1cc(C)c(OC[C@H](O)C[N+](C)(C)Cc2ccc(Cl)cc2)c(C)c1 ZINC000256030972 717174617 /nfs/dbraw/zinc/17/46/17/717174617.db2.gz WLCUDTLRBMTEIG-HXUWFJFHSA-N 1 0 362.921 4.282 10 5 FIBERO