0 B18R2.29408 Cc1ccc(s1)Sc2ccnc(c2)NC(C)C 62a_100000031368_200012354261 [1,0,0,0,0,0|3,0,0]=4 1 B18R2.29408 Cc1ccc(s1)Sc2ccnc(c2)NC(C)C 62a_200012354261_100000031368 [1,0,0,0,0,0|3,0,0]=4 2 B18R2.29408 Cc1cnc(s1)Sc2cc(ncn2)NC(C)C 62a_100000690809_200011443281 [1,0,0,0,0,0|3,0,0]=4 3 B18R2.29408 Cc1cnc(s1)Sc2cc(ncn2)NC(C)C 62a_200011443281_100000690809 [1,0,0,0,0,0|3,0,0]=4 4 B18R2.29408 Cc1cnc(s1)Sc2cccc(c2)NC(C)C 62a_100000219649_100000690809 [1,0,0,0,0,0|3,0,0]=4 5 B18R2.29408 Cc1cnc(s1)Sc2cccc(c2)NC(C)C 62a_100000690809_100000219649 [1,0,0,0,0,0|3,0,0]=4 6 B18R2.29408 Cc1cnc(s1)Sc2cccc(n2)OC(C)C 62a_100000690809_100000703025 [1,0,0,0,0,0|3,0,0]=4 7 B18R2.29408 Cc1cnc(s1)Sc2cccc(n2)OC(C)C 62a_100000703025_100000690809 [1,0,0,0,0,0|3,0,0]=4 8 B18R2.29408 Cc1cnc(s1)Sc2ccnc(c2)NC(C)C 62a_100000690809_200012354261 [1,0,0,0,0,0|2,0,0]=3 9 B18R2.29408 Cc1cnc(s1)Sc2ccnc(c2)NC(C)C 62a_200012354261_100000690809 [1,0,0,0,0,0|2,0,0]=3 10 B18R2.29408 Cc1cnc(s1)Sc2ccnc(c2)OC(C)C 62a_100000690809_100010247003 [1,0,0,0,0,0|3,0,0]=4 11 B18R2.29408 Cc1cnc(s1)Sc2ccnc(c2)OC(C)C 62a_100010247003_100000690809 [1,0,0,0,0,0|3,0,0]=4 12 B18R2.29408 Cc1nnc(s1)Sc2ccnc(c2)NC(C)C 62a_100000686958_200012354261 [1,0,0,0,0,0|3,0,0]=4 13 B18R2.29408 Cc1nnc(s1)Sc2ccnc(c2)NC(C)C 62a_200012354261_100000686958 [1,0,0,0,0,0|3,0,0]=4 14 B18R2.76891 CCOc1ncc(c(n1)Sc2ncc(s2)C)F 62a_100000690809_200000083733 [1,0,0,0,0,0|2,1,0]=4 15 B18R2.76891 CCOc1ncc(c(n1)Sc2ncc(s2)C)F 62a_200000083733_100000690809 [1,0,0,0,0,0|2,1,0]=4 16 B20R2.2266686 Cc1cnc(s1)Sc2cc(ncc2Cl)N[C@H](C)CO 62a_100000690809_100015943080 [0,1,0,0,0,0|2,1,0]=4 17 B20R2.2266686 Cc1cnc(s1)Sc2cc(ncc2Cl)N[C@H](C)CO 62a_100015943080_100000690809 [0,1,0,0,0,0|2,1,0]=4 18 B18R2.3689 Cc1cnc(s1)c2cc(ncc2F)OC(C)C 271570a_100000085710_100000690809 [0,0,0,0,1,0|2,1,0]=4 19 B17R2.845 CC(C)Nc1cc(ccn1)Sc2nccs2 62a_100000211983_200012354261 [2,0,0,0,0,0|2,0,0]=4 20 B17R2.845 CC(C)Nc1cc(ccn1)Sc2nccs2 62a_200012354261_100000211983 [2,0,0,0,0,0|2,0,0]=4 21 B17R2.5844 CCNc1cccc(n1)Sc2ncc(s2)C 62a_100000690809_200020678610 [2,0,0,0,0,0|2,0,0]=4 22 B17R2.5844 CCNc1cccc(n1)Sc2ncc(s2)C 62a_200020678610_100000690809 [2,0,0,0,0,0|2,0,0]=4 23 B17R2.5844 CCNc1nccc(n1)Sc2ccc(s2)C 62a_100000031368_100012002086 [2,0,0,0,0,0|2,0,0]=4 24 B17R2.5844 CCNc1nccc(n1)Sc2ccc(s2)C 62a_100012002086_100000031368 [2,0,0,0,0,0|2,0,0]=4 25 B17R2.5844 CCNc1nccc(n1)Sc2ncc(s2)C 62a_100000690809_100012002086 [2,0,0,0,0,0|1,0,0]=3 26 B17R2.5844 CCNc1nccc(n1)Sc2ncc(s2)C 62a_100012002086_100000690809 [2,0,0,0,0,0|1,0,0]=3 27 B17R2.5844 CCNc1nccc(n1)Sc2nnc(s2)C 62a_100000686958_100012002086 [2,0,0,0,0,0|2,0,0]=4 28 B17R2.5844 CCNc1nccc(n1)Sc2nnc(s2)C 62a_100012002086_100000686958 [2,0,0,0,0,0|2,0,0]=4 29 B19R2.22452 CC(C)Nc1cc(ccn1)Sc2ncc(s2)CN 62a_100000726991_200012354261 [1,1,0,0,0,0|2,0,0]=4 30 B19R2.22452 CC(C)Nc1cc(ccn1)Sc2ncc(s2)CN 62a_200012354261_100000726991 [1,1,0,0,0,0|2,0,0]=4 31 B19R2.22452 CC(C)Nc1cc(ccn1)Sc2ncc(s2)CO 62a_100009816753_200012354261 [1,1,0,0,0,0|2,0,0]=4 32 B19R2.22452 CC(C)Nc1cc(ccn1)Sc2ncc(s2)CO 62a_200012354261_100009816753 [1,1,0,0,0,0|2,0,0]=4 33 B19R2.46603 Cc1nc(sc1C)Sc2ccnc(c2)NC(C)C 62a_100000765934_200012354261 [1,1,0,0,0,0|2,0,0]=4 34 B19R2.46603 Cc1nc(sc1C)Sc2ccnc(c2)NC(C)C 62a_200012354261_100000765934 [1,1,0,0,0,0|2,0,0]=4 35 B19R2.468854 Cc1cc(nc(n1)NC(C)C)Nc2cc([nH]n2)C 27a_100138425928_100010889330 [1,1,0,0,0,0|2,0,0]=4 36 B19R3.50970 Cc1cnc(s1)Sc2cccc(n2)NC3CC3 62a_100000690809_200011960445 [1,0,0,1,0,0|2,0,0]=4 37 B19R3.50970 Cc1cnc(s1)Sc2cccc(n2)NC3CC3 62a_200011960445_100000690809 [1,0,0,1,0,0|2,0,0]=4 38 B17R2.3263 Cc1ccc(s1)c2ccnc(c2)NC(C)C 271570a_100011934456_200012354261 [1,0,0,0,1,0|2,0,0]=4 39 B17R2.18612 Cc1ccc(s1)Sc2ccnc(n2)C(C)C 62a_100000031368_100000752938 [1,0,0,0,1,0|2,0,0]=4 40 B17R2.18612 Cc1ccc(s1)Sc2ccnc(n2)C(C)C 62a_100000752938_100000031368 [1,0,0,0,1,0|2,0,0]=4 41 B17R2.18612 Cc1cnc(s1)Sc2cccc(n2)C(C)C 62a_100000690809_100012318657 [1,0,0,0,1,0|2,0,0]=4 42 B17R2.18612 Cc1cnc(s1)Sc2cccc(n2)C(C)C 62a_100012318657_100000690809 [1,0,0,0,1,0|2,0,0]=4 43 B17R2.18612 Cc1cnc(s1)Sc2ccnc(c2)C(C)C 62a_100000690809_100010237922 [1,0,0,0,1,0|2,0,0]=4 44 B17R2.18612 Cc1cnc(s1)Sc2ccnc(c2)C(C)C 62a_100010237922_100000690809 [1,0,0,0,1,0|2,0,0]=4 45 B17R2.18612 Cc1cnc(s1)Sc2ccnc(n2)C(C)C 62a_100000690809_100000752938 [1,0,0,0,1,0|1,0,0]=3 46 B17R2.18612 Cc1cnc(s1)Sc2ccnc(n2)C(C)C 62a_100000752938_100000690809 [1,0,0,0,1,0|1,0,0]=3 47 B17R2.18612 Cc1cnc(s1)Sc2ccnc(n2)N(C)C 62a_100000690809_100000757975 [1,0,0,0,1,0|2,0,0]=4 48 B17R2.18612 Cc1cnc(s1)Sc2ccnc(n2)N(C)C 62a_100000757975_100000690809 [1,0,0,0,1,0|2,0,0]=4 49 B17R2.18612 Cc1nnc(s1)Sc2ccnc(n2)C(C)C 62a_100000686958_100000752938 [1,0,0,0,1,0|2,0,0]=4 50 B17R2.18612 Cc1nnc(s1)Sc2ccnc(n2)C(C)C 62a_100000752938_100000686958 [1,0,0,0,1,0|2,0,0]=4 51 B19R2.45062 CC(C)Nc1cc(ccn1)NCc2ncc(s2)Br 27a_100016991807_200012354261 [1,0,0,0,0,1|2,0,0]=4 52 B19R2.45062 Cc1ccc(s1)CNc2ccnc(c2)NC(C)C 27a_100000238518_200012354261 [1,0,0,0,0,1|2,0,0]=4 53 B19R2.45062 Cc1cnc(o1)CNc2ccnc(c2)NC(C)C 27a_100138411809_200012354261 [1,0,0,0,0,1|1,1,0]=4 54 B19R2.44913 Cc1cnc(s1)Sc2cc(cnc2OC(C)C)Br 62a_100000690809_200010177600 [0,0,0,0,1,1|2,0,0]=4 55 B19R2.44913 Cc1cnc(s1)Sc2cc(cnc2OC(C)C)Br 62a_200010177600_100000690809 [0,0,0,0,1,1|2,0,0]=4