smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[n+]1c(/C=C/c2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000008580741 170341672 /nfs/dbraw/zinc/34/16/72/170341672.db2.gz YKPNKOHUGJBFEJ-UXBLZVDNSA-N 1 0 291.330 3.743 40 5 CHBBRO C[NH+](C)C[C@H](O)c1cc2ccccc2c2ccccc21 ZINC000001577093 567838355 /nfs/dbraw/zinc/83/83/55/567838355.db2.gz JSDURIUUFTVTBB-SFHVURJKSA-N 1 0 265.356 3.588 40 5 CHBBRO Nc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)[nH+]c2ccccc12 ZINC000005640789 170122935 /nfs/dbraw/zinc/12/29/35/170122935.db2.gz VRZSQKQGYWXODL-YVMONPNESA-N 1 0 291.310 3.896 40 5 CHBBRO C[N+](C)(C)C(Cc1ccccc1)Cc1ccccc1 ZINC000001598789 567839149 /nfs/dbraw/zinc/83/91/49/567839149.db2.gz FOMJMYCJTSWIGG-UHFFFAOYSA-N 1 0 254.397 3.547 40 5 CHBBRO CCCC(CCC)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C ZINC000100036827 717141871 /nfs/dbraw/zinc/14/18/71/717141871.db2.gz XGGHHHBGPSNXFE-MUJYYYPQSA-N 1 0 282.448 3.516 40 5 world CHBBRO C[N+]1(CCC(=O)c2ccccc2)CC[C@@H]2CC[C@@H](C2)C1 ZINC000004934816 170042406 /nfs/dbraw/zinc/04/24/06/170042406.db2.gz CRFHUZSZRWPLEA-NRAVZPKASA-N 1 0 272.412 3.526 40 5 in-vitro CHBBRO CC[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000006002939 170166984 /nfs/dbraw/zinc/16/69/84/170166984.db2.gz FDHILNIEEMVICB-MRXNPFEDSA-N 1 0 279.383 3.854 40 5 CHBBRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000006857395 170249970 /nfs/dbraw/zinc/24/99/70/170249970.db2.gz ASCGYTBZVJRYRP-UHFFFAOYSA-N 1 0 264.369 3.899 40 5 CHBBRO CC[N+](C)(CC)C[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001670719 567840889 /nfs/dbraw/zinc/84/08/89/567840889.db2.gz PYMAKVSXXYVLJK-WOJBJXKFSA-N 1 0 298.450 3.990 40 5 CHBBRO Cc1ccccc1C[N+](C)(C)CCC(=O)c1ccccc1 ZINC000000028263 169508282 /nfs/dbraw/zinc/50/82/82/169508282.db2.gz CIINAIBTGLLEDF-UHFFFAOYSA-N 1 0 282.407 3.844 40 5 CHBBRO [NH3+][C@@H](CCCO)Cc1cc2ccccc2c2ccccc12 ZINC000001699625 169744973 /nfs/dbraw/zinc/74/49/73/169744973.db2.gz MEFNLVKYGCLFGH-INIZCTEOSA-N 1 0 279.383 3.635 40 5 CHBBRO C[N+]1(CCCCSc2ccc(O)cc2)CCCCC1 ZINC000003062538 169851533 /nfs/dbraw/zinc/85/15/33/169851533.db2.gz LWHMSOYMMDTDTK-UHFFFAOYSA-O 1 0 280.457 3.895 40 5 CHBBRO C[C@]1(c2ccc(C[N+](C)(C)C)cc2)OCc2ccccc21 ZINC000004795621 170018503 /nfs/dbraw/zinc/01/85/03/170018503.db2.gz YGBVBOZPBOHIKR-LJQANCHMSA-N 1 0 282.407 3.687 40 5 CHBBRO C[N@+]12CCCC[C@H]1[C@@H](COC1CCCCC1)CCC2 ZINC000247693306 567908743 /nfs/dbraw/zinc/90/87/43/567908743.db2.gz XPFJVBYUWABAFF-BPQIPLTHSA-N 1 0 266.449 3.745 40 5 biogenic,in-vitro CHBBRO C[n+]1c(/C=C\c2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000017145614 567033791 /nfs/dbraw/zinc/03/37/91/567033791.db2.gz YKPNKOHUGJBFEJ-POHAHGRESA-N 1 0 291.330 3.743 40 5 CHBBRO C[N@+]12CCCC[C@H]1[C@H](COC1CCCCC1)CCC2 ZINC000247693312 567908744 /nfs/dbraw/zinc/90/87/44/567908744.db2.gz XPFJVBYUWABAFF-RYQLBKOJSA-N 1 0 266.449 3.745 40 5 biogenic,in-vitro CHBBRO C[NH2+][C@H](C)C(=O)c1ccc2ccc3ccccc3c2c1 ZINC000006491539 170205795 /nfs/dbraw/zinc/20/57/95/170205795.db2.gz AAFPLCVXDUSOSS-GFCCVEGCSA-N 1 0 263.340 3.784 40 5 CHBBRO C[N@+]12CCCC[C@@H]1[C@H](COC1CCCCC1)CCC2 ZINC000247693308 567908833 /nfs/dbraw/zinc/90/88/33/567908833.db2.gz XPFJVBYUWABAFF-CGTJXYLNSA-N 1 0 266.449 3.745 40 5 biogenic,in-vitro CHBBRO CCCCCC(=O)OC[C@H]1CCC[N@@+]2(C)CCCC[C@@H]12 ZINC000408720380 567860698 /nfs/dbraw/zinc/86/06/98/567860698.db2.gz MKVONESRFDICGW-SOLBZPMBSA-N 1 0 282.448 3.519 40 5 CHBBRO C[C@@]1(c2ccc(C[N+](C)(C)C)cc2)OCc2ccccc21 ZINC000004795620 170018741 /nfs/dbraw/zinc/01/87/41/170018741.db2.gz YGBVBOZPBOHIKR-IBGZPJMESA-N 1 0 282.407 3.687 40 5 CHBBRO CCCC[N+](CCCC)(CCCC)CCCOC(N)=O ZINC000005700856 170131025 /nfs/dbraw/zinc/13/10/25/170131025.db2.gz HCNYVILLRMOSGE-UHFFFAOYSA-O 1 0 287.468 3.689 40 5 CHBBRO CC(C)[C@@H](c1ccccc1)[C@H](O)CC[N+]1(C)CCCCC1 ZINC000000000455 567816589 /nfs/dbraw/zinc/81/65/89/567816589.db2.gz SMOSFFGOYXWICC-MOPGFXCFSA-N 1 0 290.471 3.808 40 5 in-man CHBBRO C[N+](C)(C/C=C/c1ccccc1)Cc1ccccc1 ZINC000001848449 567843774 /nfs/dbraw/zinc/84/37/74/567843774.db2.gz USBBCICLUMRGCW-NTEUORMPSA-N 1 0 252.381 3.976 40 5 CHBBRO CC(=O)SCC[n+]1cc2ccccc2c2ccccc21 ZINC000001578119 567838299 /nfs/dbraw/zinc/83/82/99/567838299.db2.gz BSEPFRSEZQNTGX-UHFFFAOYSA-N 1 0 282.388 3.560 40 5 CHBBRO CC1=NCC[N+]1(CCc1ccccc1)Cc1ccccc1 ZINC000031924808 567885711 /nfs/dbraw/zinc/88/57/11/567885711.db2.gz DSCWRLBFIKKWFK-UHFFFAOYSA-N 1 0 279.407 3.678 40 5 in-vitro CHBBRO C[C@@H](C[C@H]1OC[C@H](C[N+]2(C)CCCCC2)O1)CC(C)(C)C ZINC000004728530 170007216 /nfs/dbraw/zinc/00/72/16/170007216.db2.gz NBLWOKORNFBCIG-ULQDDVLXSA-N 1 0 298.491 3.821 40 5 CHBBRO C[n+]1c(/C=C\c2cccc([N+](=O)[O-])c2)sc2ccccc21 ZINC000031911975 567184544 /nfs/dbraw/zinc/18/45/44/567184544.db2.gz MEMPPCGVAMKFNC-KTKRTIGZSA-N 1 0 297.359 3.804 40 5 CHBBRO C[N+](C)(C)CCO[C@@H](Cc1ccccc1)c1ccccc1 ZINC000005764638 170138557 /nfs/dbraw/zinc/13/85/57/170138557.db2.gz LBRNZQRZDLLIHL-IBGZPJMESA-N 1 0 284.423 3.693 40 5 in-man CHBBRO CC[N+](C)(CC)C[C@@H](c1ccccc1)C1(O)CCCC1 ZINC000006424785 170199873 /nfs/dbraw/zinc/19/98/73/170199873.db2.gz KPMNTFAMMHXGCB-KRWDZBQOSA-N 1 0 276.444 3.562 40 5 CHBBRO CN(C)CC(=O)c1ccc2c(ccc3ccccc32)c1 ZINC000001569668 567837895 /nfs/dbraw/zinc/83/78/95/567837895.db2.gz MXHAGVMWRKWAPK-UHFFFAOYSA-N 1 0 263.340 3.737 40 5 CHBBRO Cn1c2ccccc2c2cc[n+]3cc4c(cc3c21)CCCC4 ZINC000004774799 567859072 /nfs/dbraw/zinc/85/90/72/567859072.db2.gz UJQOGTHAIFLQFL-UHFFFAOYSA-N 1 0 287.386 3.949 40 5 CHBBRO c1ccc2c(c1)[nH]c1c2cc[n+]2cc3c(cc12)CCCC3 ZINC000013826681 567868153 /nfs/dbraw/zinc/86/81/53/567868153.db2.gz UQVUEULZDJRMJR-UHFFFAOYSA-O 1 0 273.359 3.939 40 5 biogenic,in-vitro CHBBRO CCC[NH2+]CCCc1cccc2nc3ccccc3nc12 ZINC000085390671 179048030 /nfs/dbraw/zinc/04/80/30/179048030.db2.gz KBQBSOQWOHKTRK-UHFFFAOYSA-N 1 0 279.387 3.715 40 5 CHBBRO C[NH+](C)C[C@@H](O)c1cc2ccccc2c2ccccc21 ZINC000005599717 170118302 /nfs/dbraw/zinc/11/83/02/170118302.db2.gz JSDURIUUFTVTBB-GOSISDBHSA-N 1 0 265.356 3.588 40 5 CHBBRO COc1ccc2[nH]c3c(c2c1)c(C)c1c[n+](C)ccc1c3C ZINC000001578887 567838514 /nfs/dbraw/zinc/83/85/14/567838514.db2.gz RDBUEZAMXPXNRH-UHFFFAOYSA-O 1 0 291.374 3.924 40 5 CHBBRO c1ccc2c(c1)NC1=C(N2)[NH2+]C2=C(Nc3ccccc3N2)N1 ZINC000001642478 567840052 /nfs/dbraw/zinc/84/00/52/567840052.db2.gz AOGQIXJJKLLVEU-UHFFFAOYSA-N 1 0 290.330 3.955 40 5 CHBBRO CC[N+](C)(CC)C[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001670718 567840716 /nfs/dbraw/zinc/84/07/16/567840716.db2.gz PYMAKVSXXYVLJK-VQTJNVASSA-N 1 0 298.450 3.990 40 5 CHBBRO CC(C)(C[NH+](Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-] ZINC000001718052 570349387 /nfs/dbraw/zinc/34/93/87/570349387.db2.gz MHTWGCVLUXGJND-UHFFFAOYSA-N 1 0 298.386 3.744 40 5 CHBBRO C[N+](C)(C)CCO[C@H](Cc1ccccc1)c1ccccc1 ZINC000000000085 169502286 /nfs/dbraw/zinc/50/22/86/169502286.db2.gz LBRNZQRZDLLIHL-LJQANCHMSA-N 1 0 284.423 3.693 40 5 in-man CHBBRO CC[N+](C)(C)CCN(Cc1ccccc1)c1ccccc1 ZINC000005333382 170086578 /nfs/dbraw/zinc/08/65/78/170086578.db2.gz QGNYXCHIGVUUJX-UHFFFAOYSA-N 1 0 283.439 3.790 40 5 CHBBRO CC(C)[C@H](c1ccccc1)[C@@H](O)CC[N+]1(C)CCCCC1 ZINC000001748002 567843260 /nfs/dbraw/zinc/84/32/60/567843260.db2.gz SMOSFFGOYXWICC-RBUKOAKNSA-N 1 0 290.471 3.808 40 5 in-man CHBBRO C[N+](C)(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000027987044 566892537 /nfs/dbraw/zinc/89/25/37/566892537.db2.gz WVNSDVCLTPUVLF-UHFFFAOYSA-N 1 0 292.406 3.746 40 5 CHBBRO OC[C@@H]1CCC[N+]2(Cc3ccc(Cl)cc3)CCCC[C@H]12 ZINC000004083840 184530975 /nfs/dbraw/zinc/53/09/75/184530975.db2.gz IJDFDCJKZVZTEL-NADDXPSSSA-N 1 0 294.846 3.612 40 5 CHBBRO CC[N+](C)(CC)C[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001670721 567841143 /nfs/dbraw/zinc/84/11/43/567841143.db2.gz PYMAKVSXXYVLJK-UXHICEINSA-N 1 0 298.450 3.990 40 5 CHBBRO CC[N+](C)(CC)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001670720 567841193 /nfs/dbraw/zinc/84/11/93/567841193.db2.gz PYMAKVSXXYVLJK-PMACEKPBSA-N 1 0 298.450 3.990 40 5 CHBBRO CCCOc1ccc(C(=O)CC[N+]2(C)CCCCC2)cc1 ZINC000005431710 170098976 /nfs/dbraw/zinc/09/89/76/170098976.db2.gz ONPMJOOQWARINX-UHFFFAOYSA-N 1 0 290.427 3.679 40 5 CHBBRO CCCCCC(=O)OC[C@H]1CCC[N@+]2(C)CCCC[C@@H]12 ZINC000408720379 528112616 /nfs/dbraw/zinc/11/26/16/528112616.db2.gz MKVONESRFDICGW-RYRKJORJSA-N 1 0 282.448 3.519 40 5 CHBBRO c1ccc2c(c1)ccc1cc3c(cc12)C[N+]1(C3)CCOCC1 ZINC000003056876 567158958 /nfs/dbraw/zinc/15/89/58/567158958.db2.gz URSFERIRPBBOOU-UHFFFAOYSA-N 1 0 290.386 3.854 40 5 CHBBRO C[N+](C)(C)Cc1ccc2ccccc2c1Br ZINC000001662348 567840470 /nfs/dbraw/zinc/84/04/70/567840470.db2.gz HCKDXPGTPIOAST-UHFFFAOYSA-N 1 0 279.201 3.809 40 5 CHBBRO COc1cc2ccc3c[n+]4ccccc4cc3c2cc1OC ZINC000001664480 567840474 /nfs/dbraw/zinc/84/04/74/567840474.db2.gz NEYUXXVUYSEXAS-UHFFFAOYSA-N 1 0 290.342 3.749 40 5 CHBBRO C[C@@H](C[C@@H]1OC[C@H](C[N+]2(C)CCCCC2)O1)CC(C)(C)C ZINC000004728528 170007349 /nfs/dbraw/zinc/00/73/49/170007349.db2.gz NBLWOKORNFBCIG-YESZJQIVSA-N 1 0 298.491 3.821 40 5 CHBBRO C[N@+]12CCCC[C@@H]1[C@@H](COC1CCCCC1)CCC2 ZINC000247693310 567908784 /nfs/dbraw/zinc/90/87/84/567908784.db2.gz XPFJVBYUWABAFF-KBAYOESNSA-N 1 0 266.449 3.745 40 5 biogenic,in-vitro CHBBRO c1ccc2nc3c(C[NH2+]C4CCCC4)cccc3nc2c1 ZINC000085390675 179047861 /nfs/dbraw/zinc/04/78/61/179047861.db2.gz NQCDIGHSSAXNTH-UHFFFAOYSA-N 1 0 277.371 3.815 40 5 CHBBRO Cc1ccccc1[C@H](OCC[N+](C)(C)C)c1ccccc1 ZINC000002562311 169809511 /nfs/dbraw/zinc/80/95/11/169809511.db2.gz GZLMBWBTXFGQPS-LJQANCHMSA-N 1 0 284.423 3.807 40 5 in-vitro CHBBRO CC[N+](C)(CC)CCNC(c1ccccc1)c1ccccc1 ZINC000005399857 170094949 /nfs/dbraw/zinc/09/49/49/170094949.db2.gz DLAFBBDQKOFJPO-UHFFFAOYSA-N 1 0 297.466 3.852 40 5 CHBBRO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000006857423 170249983 /nfs/dbraw/zinc/24/99/83/170249983.db2.gz WGWMDSXJCHPZOA-UHFFFAOYSA-N 1 0 264.369 3.899 40 5 CHBBRO C[N+](C)(C/C=C\c1ccccc1)Cc1ccccc1 ZINC000008614716 170342858 /nfs/dbraw/zinc/34/28/58/170342858.db2.gz USBBCICLUMRGCW-ZROIWOOFSA-N 1 0 252.381 3.976 40 5 CHBBRO C[N+](C)(C)C[C@@H]1CCCCCCCCCCC1=O ZINC000006482969 170204964 /nfs/dbraw/zinc/20/49/64/170204964.db2.gz ZIILLCJHGGYCPK-HNNXBMFYSA-N 1 0 254.438 3.793 40 5 CHBBRO CC[N+](C)(CC)c1cccc(OC(=O)N2CCCCC2)c1 ZINC000001718630 567842539 /nfs/dbraw/zinc/84/25/39/567842539.db2.gz CMDAGDKQERIKQJ-UHFFFAOYSA-N 1 0 291.415 3.648 40 5 CHBBRO Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)cc[nH+]1 ZINC000098175363 567910420 /nfs/dbraw/zinc/91/04/20/567910420.db2.gz ZYLBTAJGPCACPI-UHFFFAOYSA-N 1 0 281.271 3.518 40 5 CHBBRO C[N+](C)(C)C[C@H]1CCCCCCCCCCC1=O ZINC000005855280 170147157 /nfs/dbraw/zinc/14/71/57/170147157.db2.gz ZIILLCJHGGYCPK-OAHLLOKOSA-N 1 0 254.438 3.793 40 5 CHBBRO c1c2ccc3ccccc3[n+]2c2ccc3ccccc3n12 ZINC000001723864 567842525 /nfs/dbraw/zinc/84/25/25/567842525.db2.gz SIGTZBLXHMKSCC-UHFFFAOYSA-N 1 0 269.327 3.984 40 5 CHBBRO [NH3+][C@H](CCCO)Cc1cc2ccccc2c2ccccc12 ZINC000008627265 170343470 /nfs/dbraw/zinc/34/34/70/170343470.db2.gz MEFNLVKYGCLFGH-MRXNPFEDSA-N 1 0 279.383 3.635 40 5 CHBBRO C[NH2+][C@@H](C)C(=O)c1ccc2ccc3ccccc3c2c1 ZINC000001595051 567838866 /nfs/dbraw/zinc/83/88/66/567838866.db2.gz AAFPLCVXDUSOSS-LBPRGKRZSA-N 1 0 263.340 3.784 40 5 CHBBRO CC[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000001593759 567838961 /nfs/dbraw/zinc/83/89/61/567838961.db2.gz FDHILNIEEMVICB-INIZCTEOSA-N 1 0 279.383 3.854 40 5 CHBBRO CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3nc2cc1C ZINC000257157232 190006180 /nfs/dbraw/zinc/00/61/80/190006180.db2.gz PWLZRLVLUJPWOB-UHFFFAOYSA-N 1 0 295.386 3.902 40 5 CHBBRO CC[N+](CC)(CC)Cc1cc(Cl)cc2c1OCOC2 ZINC000005469459 170102405 /nfs/dbraw/zinc/10/24/05/170102405.db2.gz GMFHYJQJGKNXEJ-UHFFFAOYSA-N 1 0 284.807 3.583 40 5 CHBBRO C[C@@](Cc1ccccc1)(c1ccccc1)[N+](C)(C)C ZINC000006491046 170206027 /nfs/dbraw/zinc/20/60/27/170206027.db2.gz FLJWMWBRLCXEMH-GOSISDBHSA-N 1 0 254.397 3.851 40 5 CHBBRO C[n+]1c(/C=C\c2ccc([N+](=O)[O-])cc2)sc2ccccc21 ZINC000031911979 567185001 /nfs/dbraw/zinc/18/50/01/567185001.db2.gz ASPNAPINZYWCEG-FLIBITNWSA-N 1 0 297.359 3.804 40 5 CHBBRO CC[N+](C)(CC)CCOc1cc(C)ccc1C(C)C ZINC000001688455 567841627 /nfs/dbraw/zinc/84/16/27/567841627.db2.gz NAODNBGMXRQKRU-UHFFFAOYSA-N 1 0 264.433 3.984 40 5 CHBBRO C[n+]1ccc2cc(N)c3c4ccccc4sc3c2c1 ZINC000001734966 567842862 /nfs/dbraw/zinc/84/28/62/567842862.db2.gz BXBSSNORPCZEEZ-UHFFFAOYSA-O 1 0 265.361 3.614 40 5 CHBBRO CC(C)C[NH2+]Cc1cccc2nc3ccccc3nc12 ZINC000085390683 179047942 /nfs/dbraw/zinc/04/79/42/179047942.db2.gz ATMIKZIBXMMXKF-UHFFFAOYSA-N 1 0 265.360 3.529 40 5 CHBBRO Cc1cccc(C[N+](C)(C)CCC(=O)c2ccccc2)c1 ZINC000000028264 567901732 /nfs/dbraw/zinc/90/17/32/567901732.db2.gz OCYOZSKMFKKXHS-UHFFFAOYSA-N 1 0 282.407 3.844 40 5 CHBBRO CC(C)(C)[NH2+]Cc1cccc2nc3ccccc3nc12 ZINC000085390685 179047564 /nfs/dbraw/zinc/04/75/64/179047564.db2.gz YBKRFVYOVVTPEN-UHFFFAOYSA-N 1 0 265.360 3.671 40 5 CHBBRO CC(C)[C@@H](c1ccccc1)[C@@H](O)CC[N+]1(C)CCCCC1 ZINC000001748000 169754378 /nfs/dbraw/zinc/75/43/78/169754378.db2.gz SMOSFFGOYXWICC-OALUTQOASA-N 1 0 290.471 3.808 40 5 in-man CHBBRO Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)[nH+]c2ccccc12 ZINC000006576304 170214704 /nfs/dbraw/zinc/21/47/04/170214704.db2.gz VRZSQKQGYWXODL-VMPITWQZSA-N 1 0 291.310 3.896 40 5 CHBBRO Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N ZINC000004217587 566855243 /nfs/dbraw/zinc/85/52/43/566855243.db2.gz RQNADZJRELIICT-UHFFFAOYSA-N 1 0 270.381 3.687 40 5 world CHBBRO O=[N+]([O-])c1ccc2c(ccc3sc4ccccc4[n+]32)c1 ZINC000001870592 567843859 /nfs/dbraw/zinc/84/38/59/567843859.db2.gz KZSSUNYIALKHLQ-UHFFFAOYSA-N 1 0 281.316 3.701 40 5 CHBBRO CC(C)(C)C[NH2+]Cc1cccc2nc3ccccc3nc12 ZINC000085390668 179048142 /nfs/dbraw/zinc/04/81/42/179048142.db2.gz BWDGCYMEJHRYJP-UHFFFAOYSA-N 1 0 279.387 3.919 40 5 CHBBRO O=[N+]([O-])c1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000007523497 170288899 /nfs/dbraw/zinc/28/88/99/170288899.db2.gz KECUSZGKJUAQMW-UHFFFAOYSA-N 1 0 262.353 3.797 40 5 CHBBRO C[C@](Cc1ccccc1)(c1ccccc1)[N+](C)(C)C ZINC000001664089 567840355 /nfs/dbraw/zinc/84/03/55/567840355.db2.gz FLJWMWBRLCXEMH-SFHVURJKSA-N 1 0 254.397 3.851 40 5 CHBBRO CC[N+](C)(CC)C[C@H](c1ccccc1)C1(O)CCCC1 ZINC000001670713 567840839 /nfs/dbraw/zinc/84/08/39/567840839.db2.gz KPMNTFAMMHXGCB-QGZVFWFLSA-N 1 0 276.444 3.562 40 5 CHBBRO C[n+]1c(/C=C/c2ccc([N+](=O)[O-])cc2)sc2ccccc21 ZINC000006519999 170209080 /nfs/dbraw/zinc/20/90/80/170209080.db2.gz ASPNAPINZYWCEG-DHZHZOJOSA-N 1 0 297.359 3.804 40 5 CHBBRO Cc1ccccc1[C@@H](OCC[N+](C)(C)C)c1ccccc1 ZINC000015020076 170654509 /nfs/dbraw/zinc/65/45/09/170654509.db2.gz GZLMBWBTXFGQPS-IBGZPJMESA-N 1 0 284.423 3.807 40 5 in-vitro CHBBRO CC(C)[C@H](c1ccccc1)[C@H](O)CC[N+]1(C)CCCCC1 ZINC000001747999 567843193 /nfs/dbraw/zinc/84/31/93/567843193.db2.gz SMOSFFGOYXWICC-RTBURBONSA-N 1 0 290.471 3.808 40 5 in-man CHBBRO